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@](CO)(Cc1ccccc1F)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000865716418 1126115732 /nfs/dbraw/zinc/11/57/32/1126115732.db2.gz SMERSZKFUBEIRU-QGZVFWFLSA-N 0 0 334.347 2.523 10 5 EFBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001569413723 1085190032 /nfs/dbraw/zinc/19/00/32/1085190032.db2.gz LQGPCBMOUOAORJ-DTWKUNHWSA-N 0 0 331.294 2.980 10 5 EFBERN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1Cc2c[nH]nc2C1 ZINC001569457175 1085244144 /nfs/dbraw/zinc/24/41/44/1085244144.db2.gz XNYHSUVYJQJBKJ-UHFFFAOYSA-N 0 0 345.117 2.920 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)c1ccc(F)cc1 ZINC001569548230 1085364212 /nfs/dbraw/zinc/36/42/12/1085364212.db2.gz NFRXQIDMNMQGCQ-CYBMUJFWSA-N 0 0 348.330 2.596 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)c1ccc(F)cc1 ZINC001569548013 1085364426 /nfs/dbraw/zinc/36/44/26/1085364426.db2.gz GAXZVIZCTWDYKR-CQSZACIVSA-N 0 0 332.331 2.814 10 5 EFBERN CNc1ccc(C(=O)N2CCC=C(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001569572040 1085389798 /nfs/dbraw/zinc/38/97/98/1085389798.db2.gz VJKICFDRHLAHRY-UHFFFAOYSA-N 0 0 338.367 2.961 10 5 EFBERN C[C@H](OCCc1ccccc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001570051531 1085905697 /nfs/dbraw/zinc/90/56/97/1085905697.db2.gz NRYNEFKGSARPHI-LBPRGKRZSA-N 0 0 329.356 2.763 10 5 EFBERN Nc1ccc(NC(=O)Cc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001570053224 1085906553 /nfs/dbraw/zinc/90/65/53/1085906553.db2.gz XPKKWMASLZGBNE-UHFFFAOYSA-N 0 0 340.261 2.772 10 5 EFBERN O=C(Nc1ncccc1OCc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC001570219025 1086057966 /nfs/dbraw/zinc/05/79/66/1086057966.db2.gz QGBFDBFLROGPRS-UHFFFAOYSA-N 0 0 339.311 2.544 10 5 EFBERN Nc1c(C(=O)N[C@@H]2C[C@H]2c2ccco2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001570302855 1086133693 /nfs/dbraw/zinc/13/36/93/1086133693.db2.gz ZDZPTJDRFHOLOI-HZGVNTEJSA-N 0 0 339.710 2.848 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(CO)ccn1 ZINC001570521589 1086307534 /nfs/dbraw/zinc/30/75/34/1086307534.db2.gz XWSVSJXGOCPHMO-CQSZACIVSA-N 0 0 329.356 2.690 10 5 EFBERN O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001570554939 1086360091 /nfs/dbraw/zinc/36/00/91/1086360091.db2.gz ZGMQWCJXTCPLPU-DZGCQCFKSA-N 0 0 326.356 2.903 10 5 EFBERN Cc1cc(=O)[nH]c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC001570570335 1086373473 /nfs/dbraw/zinc/37/34/73/1086373473.db2.gz VLKOJYIIZRBWAF-UHFFFAOYSA-N 0 0 339.254 2.858 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CCO)c1ccccc1F ZINC001570662749 1086445997 /nfs/dbraw/zinc/44/59/97/1086445997.db2.gz DITHQVLLEOLITR-INIZCTEOSA-N 0 0 332.331 2.516 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001570667936 1086449358 /nfs/dbraw/zinc/44/93/58/1086449358.db2.gz CDXZKUASCLEJBS-UHFFFAOYSA-N 0 0 346.299 2.562 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)c1nccs1 ZINC001570668260 1086449484 /nfs/dbraw/zinc/44/94/84/1086449484.db2.gz LTHPXGJFDCAMAH-UHFFFAOYSA-N 0 0 328.300 2.824 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1coc(-c2cccnc2)n1 ZINC001570670281 1086450613 /nfs/dbraw/zinc/45/06/13/1086450613.db2.gz CQVMIEAAWANLRG-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1OCCc2ccccc21 ZINC001570747384 1086495942 /nfs/dbraw/zinc/49/59/42/1086495942.db2.gz RUELOJGTKVZNTR-INIZCTEOSA-N 0 0 348.305 2.803 10 5 EFBERN CCOc1ncccc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001570746382 1086496111 /nfs/dbraw/zinc/49/61/11/1086496111.db2.gz YWQAOKLIJVMQAH-UHFFFAOYSA-N 0 0 337.282 2.597 10 5 EFBERN O=C(NCC=C(Cl)Cl)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001570868183 1086577946 /nfs/dbraw/zinc/57/79/46/1086577946.db2.gz SGKGYZHJFJBMSB-UHFFFAOYSA-N 0 0 341.154 2.829 10 5 EFBERN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCOc2ccccc21 ZINC001646429385 1087766292 /nfs/dbraw/zinc/76/62/92/1087766292.db2.gz HDEKJYCMXJVXFU-QGZVFWFLSA-N 0 0 345.330 2.744 10 5 EFBERN COC(=O)CCC1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001646487278 1087792757 /nfs/dbraw/zinc/79/27/57/1087792757.db2.gz ROCPTRHPNKYMNJ-UHFFFAOYSA-N 0 0 334.372 2.981 10 5 EFBERN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001646547437 1087857786 /nfs/dbraw/zinc/85/77/86/1087857786.db2.gz DJXGCEKJAHMUSS-LPEHRKFASA-N 0 0 345.321 2.711 10 5 EFBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H](c2ncccn2)C1 ZINC001646571493 1087878163 /nfs/dbraw/zinc/87/81/63/1087878163.db2.gz RJNBHGJVLFOTJI-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN CNc1nccc(C(=O)NCC2(OC)CCCCCC2)c1[N+](=O)[O-] ZINC001647010517 1088751727 /nfs/dbraw/zinc/75/17/27/1088751727.db2.gz OWONPVNBGPNUHE-UHFFFAOYSA-N 0 0 336.392 2.501 10 5 EFBERN O=C(NC[C@@H]1Cc2ccccc2CO1)c1ccc([N+](=O)[O-])cc1F ZINC001647271925 1089190932 /nfs/dbraw/zinc/19/09/32/1089190932.db2.gz VLAZHORUNXQNHV-AWEZNQCLSA-N 0 0 330.315 2.605 10 5 EFBERN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOC2)cc1 ZINC001617577631 1089482474 /nfs/dbraw/zinc/48/24/74/1089482474.db2.gz NRLGZDSEAVNDDO-UHFFFAOYSA-N 0 0 344.323 2.826 10 5 EFBERN O=C(NCC[C@@H](O)C1CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001647794797 1089880310 /nfs/dbraw/zinc/88/03/10/1089880310.db2.gz TWTVKGQSVNKDPA-CQSZACIVSA-N 0 0 347.396 2.609 10 5 EFBERN CN1c2ccccc2CN(Cc2c(F)cccc2[N+](=O)[O-])CC1=O ZINC001647793684 1089880405 /nfs/dbraw/zinc/88/04/05/1089880405.db2.gz YVXMTAZOLPAQEC-UHFFFAOYSA-N 0 0 329.331 2.713 10 5 EFBERN O=C(Nc1ccc[n+]([O-])c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001647805962 1089881692 /nfs/dbraw/zinc/88/16/92/1089881692.db2.gz UREBEYDWYBCGQH-UHFFFAOYSA-N 0 0 328.111 2.787 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c[nH]c(C(C)C)n2)c1 ZINC001647824556 1089888802 /nfs/dbraw/zinc/88/88/02/1089888802.db2.gz JVRVTSKEMQHOMQ-UHFFFAOYSA-N 0 0 346.387 2.835 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccc(F)cc2F)cc1F ZINC001647836990 1089891391 /nfs/dbraw/zinc/89/13/91/1089891391.db2.gz CZVFZBJNOCSIIB-AWEZNQCLSA-N 0 0 326.274 2.835 10 5 EFBERN Cc1oncc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001647838864 1089893759 /nfs/dbraw/zinc/89/37/59/1089893759.db2.gz VTTSWPKZQJVYIM-UHFFFAOYSA-N 0 0 327.699 2.543 10 5 EFBERN C[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1CO ZINC001647909833 1089907698 /nfs/dbraw/zinc/90/76/98/1089907698.db2.gz JQSWMTVCNMVFEA-QMTHXVAHSA-N 0 0 343.221 2.950 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)NOCCOc1ccccc1 ZINC001647915663 1089908428 /nfs/dbraw/zinc/90/84/28/1089908428.db2.gz UDZMWGFLQUQHFW-UHFFFAOYSA-N 0 0 330.340 2.654 10 5 EFBERN O=C1OC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]12 ZINC001647942773 1089914538 /nfs/dbraw/zinc/91/45/38/1089914538.db2.gz QYYUVALMBLPOTB-WPRPVWTQSA-N 0 0 331.155 2.506 10 5 EFBERN COC(=O)c1sc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1C ZINC001647935831 1089916169 /nfs/dbraw/zinc/91/61/69/1089916169.db2.gz QEBHYVOXTBNSPB-UHFFFAOYSA-N 0 0 349.368 2.894 10 5 EFBERN COC(=O)[C@@](C)(NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC001647954675 1089917634 /nfs/dbraw/zinc/91/76/34/1089917634.db2.gz DUPQNWCGESJIJK-KRWDZBQOSA-N 0 0 332.331 2.912 10 5 EFBERN CCn1nc(C)c(CN(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC001647951179 1089919379 /nfs/dbraw/zinc/91/93/79/1089919379.db2.gz HRIDHUTZAGTMIJ-UHFFFAOYSA-N 0 0 347.375 2.968 10 5 EFBERN C[C@H](CNC(=O)Cc1n[nH]c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001647995818 1089924984 /nfs/dbraw/zinc/92/49/84/1089924984.db2.gz YDSFKMKWEBUWRK-GFCCVEGCSA-N 0 0 338.367 2.934 10 5 EFBERN CC1(C)CC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)OC1 ZINC001647998244 1089926536 /nfs/dbraw/zinc/92/65/36/1089926536.db2.gz LDSCPNXLMFWNEH-JTQLQIEISA-N 0 0 339.367 2.641 10 5 EFBERN Cc1[nH]nc2ncc(C(=O)NC[C@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC001647995582 1089926738 /nfs/dbraw/zinc/92/67/38/1089926738.db2.gz SPNPFWCKDRTCMS-JTQLQIEISA-N 0 0 339.355 2.708 10 5 EFBERN Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001648022311 1089931961 /nfs/dbraw/zinc/93/19/61/1089931961.db2.gz UWRKZUUDJDFQPA-UHFFFAOYSA-N 0 0 348.746 2.517 10 5 EFBERN Cc1ccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001648020501 1089932785 /nfs/dbraw/zinc/93/27/85/1089932785.db2.gz UTPABNVIBHFMIB-KRWDZBQOSA-N 0 0 345.355 2.809 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC001648038102 1089934065 /nfs/dbraw/zinc/93/40/65/1089934065.db2.gz AHRDCKKLTXPPCX-UHFFFAOYSA-N 0 0 347.302 2.663 10 5 EFBERN Cc1cc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001648079233 1089938714 /nfs/dbraw/zinc/93/87/14/1089938714.db2.gz ZOBIEXJZUPVFLF-UHFFFAOYSA-N 0 0 349.387 2.642 10 5 EFBERN O=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001648218319 1089962809 /nfs/dbraw/zinc/96/28/09/1089962809.db2.gz QQZPXKWELMXLTI-UHFFFAOYSA-N 0 0 330.319 2.623 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)C2)n1 ZINC001648263514 1089971356 /nfs/dbraw/zinc/97/13/56/1089971356.db2.gz FWGYQAAIEHNOME-VHSXEESVSA-N 0 0 348.334 2.745 10 5 EFBERN Cc1ccn2cnc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)c2c1 ZINC001648299435 1089975081 /nfs/dbraw/zinc/97/50/81/1089975081.db2.gz PHDHKJCIGMCKJP-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN CCSc1c[nH]c(=O)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001648299430 1089975627 /nfs/dbraw/zinc/97/56/27/1089975627.db2.gz OYQDKRXIZPNKSR-UHFFFAOYSA-N 0 0 348.384 2.950 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCN1CCc2nc[nH]c2C12CCCCC2 ZINC001648312159 1089981079 /nfs/dbraw/zinc/98/10/79/1089981079.db2.gz SBEGASCCBCBITA-UHFFFAOYSA-N 0 0 344.419 2.541 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2CO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001648319732 1089981292 /nfs/dbraw/zinc/98/12/92/1089981292.db2.gz ADMZRTRXCXYHRD-PBHICJAKSA-N 0 0 342.351 2.863 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC(OCC(C)C)C2)c1 ZINC001620570395 1090687067 /nfs/dbraw/zinc/68/70/67/1090687067.db2.gz KULKCLPSYCPFRX-UHFFFAOYSA-N 0 0 336.388 2.556 10 5 EFBERN CNC(=O)c1cccc(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC001620598374 1090897109 /nfs/dbraw/zinc/89/71/09/1090897109.db2.gz YLJBKHFMBSAXRM-UHFFFAOYSA-N 0 0 329.356 2.599 10 5 EFBERN CN(Cc1ccoc1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001583053745 1091887436 /nfs/dbraw/zinc/88/74/36/1091887436.db2.gz ZRCJWRFXPXYKSX-UHFFFAOYSA-N 0 0 341.323 2.773 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC001583084475 1091895649 /nfs/dbraw/zinc/89/56/49/1091895649.db2.gz NAFSBOQBBKCQPQ-OAHLLOKOSA-N 0 0 342.351 2.937 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC001583084473 1091895866 /nfs/dbraw/zinc/89/58/66/1091895866.db2.gz NAFSBOQBBKCQPQ-HNNXBMFYSA-N 0 0 342.351 2.937 10 5 EFBERN COC[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC001583128541 1091905887 /nfs/dbraw/zinc/90/58/87/1091905887.db2.gz KCPZHDQOLJVIED-OAHLLOKOSA-N 0 0 341.367 2.812 10 5 EFBERN COc1ccc(SCC(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001583231529 1091938971 /nfs/dbraw/zinc/93/89/71/1091938971.db2.gz RKHZUTWOGVAQAF-UHFFFAOYSA-N 0 0 349.368 2.738 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(OC(C)(C)C)cn1 ZINC001583231150 1091939191 /nfs/dbraw/zinc/93/91/91/1091939191.db2.gz JGJIFUQLEYWLHT-UHFFFAOYSA-N 0 0 346.343 2.823 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cn1ccc2ccc(F)cc21 ZINC001583235544 1091940415 /nfs/dbraw/zinc/94/04/15/1091940415.db2.gz QIETYZWVEJGTNK-UHFFFAOYSA-N 0 0 344.302 2.731 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001583235281 1091940849 /nfs/dbraw/zinc/94/08/49/1091940849.db2.gz ASGJDMGPQYPJDT-LBPRGKRZSA-N 0 0 335.360 2.676 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cnc(CC(C)C)s1 ZINC001583235351 1091941031 /nfs/dbraw/zinc/94/10/31/1091941031.db2.gz HDGPAAUERJMWFL-UHFFFAOYSA-N 0 0 336.373 2.906 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cn(CC2CC2)nn1 ZINC001583250020 1091943589 /nfs/dbraw/zinc/94/35/89/1091943589.db2.gz CSBBKSDRQQTKRX-UHFFFAOYSA-N 0 0 348.384 2.675 10 5 EFBERN C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H]1C ZINC001583302395 1091957900 /nfs/dbraw/zinc/95/79/00/1091957900.db2.gz HFLLRHDNIMKQHH-SRVKXCTJSA-N 0 0 347.415 2.630 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](c1cccc(Cl)c1)C(F)F ZINC001583301497 1091958010 /nfs/dbraw/zinc/95/80/10/1091958010.db2.gz UVLFDLSKIVOXDG-GFCCVEGCSA-N 0 0 344.705 2.567 10 5 EFBERN CC(C)[C@]1(C)C[C@H]1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001583322005 1091965485 /nfs/dbraw/zinc/96/54/85/1091965485.db2.gz FNERPYUQPOHMCQ-UXLLHSPISA-N 0 0 331.372 2.639 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2ccns2)cc1[N+](=O)[O-] ZINC001583360626 1091978115 /nfs/dbraw/zinc/97/81/15/1091978115.db2.gz CTDHYKDSFUZLGR-UHFFFAOYSA-N 0 0 336.329 2.540 10 5 EFBERN COc1cccc2c1CCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC001583421942 1091996435 /nfs/dbraw/zinc/99/64/35/1091996435.db2.gz AULIYZUBAMBXTN-UHFFFAOYSA-N 0 0 330.315 2.941 10 5 EFBERN CC(C)(C)Oc1ccc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001583466040 1092008931 /nfs/dbraw/zinc/00/89/31/1092008931.db2.gz OLWQQHNSXDJNML-UHFFFAOYSA-N 0 0 344.371 2.679 10 5 EFBERN Cn1cnc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC001583520212 1092024485 /nfs/dbraw/zinc/02/44/85/1092024485.db2.gz PNQORVIZOZGAOJ-HYXAFXHYSA-N 0 0 340.261 2.999 10 5 EFBERN COC(=O)c1ccc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC001583522652 1092026107 /nfs/dbraw/zinc/02/61/07/1092026107.db2.gz AIOMJYMLGMQZIS-YVMONPNESA-N 0 0 330.296 2.935 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C)c1[N+](=O)[O-] ZINC001583563432 1092040296 /nfs/dbraw/zinc/04/02/96/1092040296.db2.gz QBZOKTPXHCVJJX-UHFFFAOYSA-N 0 0 344.306 2.512 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC001583626395 1092051558 /nfs/dbraw/zinc/05/15/58/1092051558.db2.gz RNKDFVACKIZSCH-LLVKDONJSA-N 0 0 338.791 2.961 10 5 EFBERN CC1(C)C[C@@]1(C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001583628164 1092051828 /nfs/dbraw/zinc/05/18/28/1092051828.db2.gz CNUPWHHZWYPRSS-KRWDZBQOSA-N 0 0 328.372 2.947 10 5 EFBERN CNC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001583792161 1092069905 /nfs/dbraw/zinc/06/99/05/1092069905.db2.gz IOTBOVZYNGDMRJ-LLVKDONJSA-N 0 0 342.355 2.837 10 5 EFBERN CCc1cc(NC(=O)[C@H](C)[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC001583815426 1092072512 /nfs/dbraw/zinc/07/25/12/1092072512.db2.gz OYOOMVGLHVBHSH-PIGZYNQJSA-N 0 0 343.383 2.881 10 5 EFBERN COCc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1C(F)(F)F ZINC001583853124 1092077413 /nfs/dbraw/zinc/07/74/13/1092077413.db2.gz FGLDBIWJHHSROJ-UHFFFAOYSA-N 0 0 344.249 2.735 10 5 EFBERN CSc1nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC001583919603 1092085386 /nfs/dbraw/zinc/08/53/86/1092085386.db2.gz QKEDZCZFWRQIQZ-UHFFFAOYSA-N 0 0 327.753 2.649 10 5 EFBERN Cn1cncc1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001583920812 1092086346 /nfs/dbraw/zinc/08/63/46/1092086346.db2.gz BWDXIWBEQDKLFP-NSHDSACASA-N 0 0 346.240 2.501 10 5 EFBERN C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CCO ZINC001583948425 1092088531 /nfs/dbraw/zinc/08/85/31/1092088531.db2.gz NJFLOKVCFVLMKN-RISCZKNCSA-N 0 0 340.807 2.800 10 5 EFBERN Cc1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC001583956349 1092089809 /nfs/dbraw/zinc/08/98/09/1092089809.db2.gz MUPHUAHADVUXQX-UHFFFAOYSA-N 0 0 327.296 2.680 10 5 EFBERN Cc1c(Cl)cncc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001583977258 1092092725 /nfs/dbraw/zinc/09/27/25/1092092725.db2.gz HTOPAWHQLMAODQ-UHFFFAOYSA-N 0 0 349.730 2.975 10 5 EFBERN COc1cc(C(=O)NCc2noc3ccccc23)c([N+](=O)[O-])cc1F ZINC001584166158 1092122378 /nfs/dbraw/zinc/12/23/78/1092122378.db2.gz QMGDCCNRRTWELE-UHFFFAOYSA-N 0 0 345.286 2.814 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1COCc2ccccc21 ZINC001584179515 1092123788 /nfs/dbraw/zinc/12/37/88/1092123788.db2.gz WFNBHANCNNDZGZ-OAHLLOKOSA-N 0 0 328.324 2.605 10 5 EFBERN Cc1c(F)c(Br)ccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001584224704 1092129609 /nfs/dbraw/zinc/12/96/09/1092129609.db2.gz RPVOXGARFKUUKM-UHFFFAOYSA-N 0 0 343.112 2.780 10 5 EFBERN O=C(NCc1ccc(F)c(Cl)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001584249522 1092131751 /nfs/dbraw/zinc/13/17/51/1092131751.db2.gz QDPPKHLIBDQEIG-CQSZACIVSA-N 0 0 338.722 2.737 10 5 EFBERN CC[C@@H](OC(=O)/C=C/c1ccc(C(N)=O)o1)c1cccc([N+](=O)[O-])c1 ZINC001584249939 1092132400 /nfs/dbraw/zinc/13/24/00/1092132400.db2.gz GZIYYZMAPMGFET-RCQQVGEISA-N 0 0 344.323 2.994 10 5 EFBERN Cn1cnc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC001584478966 1092181911 /nfs/dbraw/zinc/18/19/11/1092181911.db2.gz ZMOFUOXKURFQSE-UHFFFAOYSA-N 0 0 330.369 2.516 10 5 EFBERN Cc1nnc(N2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC001648372105 1092207863 /nfs/dbraw/zinc/20/78/63/1092207863.db2.gz QLTHGRPODOSAMC-LBPRGKRZSA-N 0 0 347.444 2.946 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001648374470 1092208511 /nfs/dbraw/zinc/20/85/11/1092208511.db2.gz DFWLQSDTKJHOPP-UHFFFAOYSA-N 0 0 343.343 2.673 10 5 EFBERN CON(Cc1ccc(C)o1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001648379816 1092210364 /nfs/dbraw/zinc/21/03/64/1092210364.db2.gz VRVXHCKIHFBADY-MRXNPFEDSA-N 0 0 345.355 2.665 10 5 EFBERN Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)n[nH]2)cc1 ZINC001648435824 1092216445 /nfs/dbraw/zinc/21/64/45/1092216445.db2.gz WGHKFCFAEJILDQ-UHFFFAOYSA-N 0 0 338.327 2.644 10 5 EFBERN Cc1n[nH]c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1C ZINC001584621794 1092222026 /nfs/dbraw/zinc/22/20/26/1092222026.db2.gz JTCCEBCOZYOVET-UHFFFAOYSA-N 0 0 339.311 2.508 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC001648482996 1092222625 /nfs/dbraw/zinc/22/26/25/1092222625.db2.gz CVOIYVUVUQOEJG-UHFFFAOYSA-N 0 0 334.759 2.713 10 5 EFBERN CSc1ccc(C(=O)NCc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC001648483601 1092222745 /nfs/dbraw/zinc/22/27/45/1092222745.db2.gz MIWOSMFGEUSJNJ-UHFFFAOYSA-N 0 0 346.408 2.782 10 5 EFBERN CCOc1ccc(CCN(C)C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])cc1 ZINC001648516239 1092227836 /nfs/dbraw/zinc/22/78/36/1092227836.db2.gz ZUHZBKUNGDUTRD-UHFFFAOYSA-N 0 0 346.387 2.594 10 5 EFBERN COC(=O)c1ccnc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001648565594 1092231487 /nfs/dbraw/zinc/23/14/87/1092231487.db2.gz FNOFBHOYLIIFKF-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN Cc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C(N)=O)c1 ZINC001584653601 1092235406 /nfs/dbraw/zinc/23/54/06/1092235406.db2.gz NJZUVXRVUSJDFG-UHFFFAOYSA-N 0 0 327.340 2.871 10 5 EFBERN COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C)n2)nc1 ZINC001648619022 1092239927 /nfs/dbraw/zinc/23/99/27/1092239927.db2.gz DIEGRBXPFHBNFA-MRXNPFEDSA-N 0 0 342.355 2.679 10 5 EFBERN CSc1cccc(C(=O)Nc2ccc3c(c2)nnn3C)c1[N+](=O)[O-] ZINC001584670600 1092239737 /nfs/dbraw/zinc/23/97/37/1092239737.db2.gz BAUAWBDDWHKPIB-UHFFFAOYSA-N 0 0 343.368 2.851 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2[C@H]2CCCO2)c1 ZINC001648617755 1092240086 /nfs/dbraw/zinc/24/00/86/1092240086.db2.gz VVUXQVUPZKVWOO-DLBZAZTESA-N 0 0 348.399 2.915 10 5 EFBERN CC[C@@H](NC(=O)CCc1c(C)nc[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001648656452 1092247451 /nfs/dbraw/zinc/24/74/51/1092247451.db2.gz JHAMQVGRNBPMSC-OAHLLOKOSA-N 0 0 344.371 2.599 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(c2cnccn2)[C@H](C)C1 ZINC001648665067 1092250129 /nfs/dbraw/zinc/25/01/29/1092250129.db2.gz HPDNEFNCXCIHJW-HUUCEWRRSA-N 0 0 341.415 2.965 10 5 EFBERN O=C(Nc1cccc(Oc2ccccc2)n1)c1cc([N+](=O)[O-])n[nH]1 ZINC001648693341 1092253316 /nfs/dbraw/zinc/25/33/16/1092253316.db2.gz YQZZIMRKAYLWST-UHFFFAOYSA-N 0 0 325.284 2.758 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(N=S(C)(C)=O)c1 ZINC001584733710 1092266241 /nfs/dbraw/zinc/26/62/41/1092266241.db2.gz UCUAOEGXSBXTMO-UHFFFAOYSA-N 0 0 336.373 2.545 10 5 EFBERN CN(C)c1ccc(COC(=O)c2c(F)ccnc2F)cc1[N+](=O)[O-] ZINC001584744290 1092268144 /nfs/dbraw/zinc/26/81/44/1092268144.db2.gz NNQXHSGMWMEIHJ-UHFFFAOYSA-N 0 0 337.282 2.691 10 5 EFBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ncc2Br)sn1 ZINC001648784869 1092270348 /nfs/dbraw/zinc/27/03/48/1092270348.db2.gz WHRRNEZJJDUZET-UHFFFAOYSA-N 0 0 343.162 2.770 10 5 EFBERN Cc1[nH]nc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C ZINC001584847979 1092307140 /nfs/dbraw/zinc/30/71/40/1092307140.db2.gz LWWXEYVLLGDVLB-UHFFFAOYSA-N 0 0 339.149 2.950 10 5 EFBERN C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001584981731 1092345049 /nfs/dbraw/zinc/34/50/49/1092345049.db2.gz WTVANYJTWJHSLB-RYUDHWBXSA-N 0 0 341.795 2.556 10 5 EFBERN COc1cccc(C(=O)NCc2cccc(C)c2OC)c1[N+](=O)[O-] ZINC001584984671 1092346366 /nfs/dbraw/zinc/34/63/66/1092346366.db2.gz KPSJNWZDNKAKFG-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN Cn1nccc1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001585088591 1092366096 /nfs/dbraw/zinc/36/60/96/1092366096.db2.gz VNBFRWZBRDFBOY-NSHDSACASA-N 0 0 346.240 2.501 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2cccc3c2OCC3)c1[N+](=O)[O-] ZINC001585104482 1092371120 /nfs/dbraw/zinc/37/11/20/1092371120.db2.gz ZSTCPTRRAHXUAI-UHFFFAOYSA-N 0 0 330.315 2.907 10 5 EFBERN O=C(c1ccc2nncn2c1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001585125378 1092377702 /nfs/dbraw/zinc/37/77/02/1092377702.db2.gz LDHSUTLMBIQDTC-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H]1CO ZINC001585224555 1092411004 /nfs/dbraw/zinc/41/10/04/1092411004.db2.gz SIGXCEKEGMMWTP-ZDUSSCGKSA-N 0 0 328.324 2.594 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC001585243137 1092418988 /nfs/dbraw/zinc/41/89/88/1092418988.db2.gz CFJMVMHDYWJSON-UHFFFAOYSA-N 0 0 345.380 2.886 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cccc(F)c2Cl)ccc1[N+](=O)[O-] ZINC001585244482 1092420381 /nfs/dbraw/zinc/42/03/81/1092420381.db2.gz XWCUNYLSTBRQIY-UHFFFAOYSA-N 0 0 337.694 2.739 10 5 EFBERN COC(=O)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001585307239 1092442805 /nfs/dbraw/zinc/44/28/05/1092442805.db2.gz NEMQJBYNYMTMMV-UHFFFAOYSA-N 0 0 346.314 2.631 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2ccccc2)COC1 ZINC001585356951 1092460009 /nfs/dbraw/zinc/46/00/09/1092460009.db2.gz VIJRIVPABMTKAR-UHFFFAOYSA-N 0 0 346.770 2.833 10 5 EFBERN CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C(F)(F)F ZINC001585417762 1092478143 /nfs/dbraw/zinc/47/81/43/1092478143.db2.gz VROCNJNTPUFJHO-LBPRGKRZSA-N 0 0 348.277 2.827 10 5 EFBERN COc1cccc(F)c1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001585420631 1092481063 /nfs/dbraw/zinc/48/10/63/1092481063.db2.gz ZESFTLOHFXWSGV-UHFFFAOYSA-N 0 0 347.346 2.739 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)/C(=C\c1ccccc1)C(F)(F)F ZINC001585617746 1092525262 /nfs/dbraw/zinc/52/52/62/1092525262.db2.gz UBDUAYAITADHES-JXMROGBWSA-N 0 0 340.261 2.913 10 5 EFBERN O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC001585628506 1092526272 /nfs/dbraw/zinc/52/62/72/1092526272.db2.gz YFYZRJZXXIGTST-SNVBAGLBSA-N 0 0 346.286 2.537 10 5 EFBERN C[C@H](O)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001585763770 1092565804 /nfs/dbraw/zinc/56/58/04/1092565804.db2.gz PTAUEZSXJAIODW-SJCJKPOMSA-N 0 0 346.408 2.925 10 5 EFBERN O=C(Cn1cc(Cl)cn1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001585836285 1092591697 /nfs/dbraw/zinc/59/16/97/1092591697.db2.gz DZXXNSGKEPXQIP-UHFFFAOYSA-N 0 0 331.719 2.632 10 5 EFBERN Cn1cnc2c1nccc2C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585841563 1092592830 /nfs/dbraw/zinc/59/28/30/1092592830.db2.gz JUIQDDSHCLUJPC-UHFFFAOYSA-N 0 0 348.322 2.677 10 5 EFBERN CCOc1cnc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cn1 ZINC001585846702 1092595438 /nfs/dbraw/zinc/59/54/38/1092595438.db2.gz GLSOZLWXZGZTRI-UHFFFAOYSA-N 0 0 339.311 2.584 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC001585860214 1092601915 /nfs/dbraw/zinc/60/19/15/1092601915.db2.gz IBVZSXBOQGDWOD-UHFFFAOYSA-N 0 0 335.747 2.896 10 5 EFBERN Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1 ZINC001585875754 1092606451 /nfs/dbraw/zinc/60/64/51/1092606451.db2.gz DONJMMOARQETFX-WEVVVXLNSA-N 0 0 325.324 2.654 10 5 EFBERN CC1(C)CCC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])O1 ZINC001585898099 1092614204 /nfs/dbraw/zinc/61/42/04/1092614204.db2.gz YGLXMQGRWHHCQK-ZDUSSCGKSA-N 0 0 335.404 2.861 10 5 EFBERN Cc1nc2ccc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])cn2n1 ZINC001585919919 1092620989 /nfs/dbraw/zinc/62/09/89/1092620989.db2.gz VLGUPFMRQRQMSF-UHFFFAOYSA-N 0 0 343.318 2.656 10 5 EFBERN COc1ccc(C(=O)NCCCOc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001586015368 1092654815 /nfs/dbraw/zinc/65/48/15/1092654815.db2.gz JRVOXMDJNBYXNE-UHFFFAOYSA-N 0 0 348.330 2.941 10 5 EFBERN CCC(O)(CC)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001586024844 1092657339 /nfs/dbraw/zinc/65/73/39/1092657339.db2.gz PLRVJIIBFRABDX-UHFFFAOYSA-N 0 0 331.372 2.611 10 5 EFBERN C[C@@H](Oc1ccccc1)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586036539 1092662922 /nfs/dbraw/zinc/66/29/22/1092662922.db2.gz RZDGXKRWZWHYBR-SNVBAGLBSA-N 0 0 332.268 2.876 10 5 EFBERN C[C@@H]1CCc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])ncc2C1 ZINC001586044680 1092666010 /nfs/dbraw/zinc/66/60/10/1092666010.db2.gz LJFWKHUDWOLCGZ-LLVKDONJSA-N 0 0 342.355 2.527 10 5 EFBERN Cc1nn(C)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1Cl ZINC001586068458 1092670593 /nfs/dbraw/zinc/67/05/93/1092670593.db2.gz KZSQORGSHKHBJF-UHFFFAOYSA-N 0 0 337.767 2.731 10 5 EFBERN CC(=O)Nc1cc(Cl)c(NC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)c1 ZINC001586068440 1092670626 /nfs/dbraw/zinc/67/06/26/1092670626.db2.gz KBOPGEQWJRACLS-GMSGAONNSA-N 0 0 332.143 2.556 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2nccs2)CCCC1 ZINC001586097959 1092681376 /nfs/dbraw/zinc/68/13/76/1092681376.db2.gz NXJFDJMGRDKVOA-UHFFFAOYSA-N 0 0 332.385 2.833 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cccn2cn1 ZINC001586148317 1092691405 /nfs/dbraw/zinc/69/14/05/1092691405.db2.gz SIYZWPXJJKLAFF-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1nc(C)no1 ZINC001586145193 1092691578 /nfs/dbraw/zinc/69/15/78/1092691578.db2.gz CALCCVNOHGMDRI-QMMMGPOBSA-N 0 0 336.373 2.841 10 5 EFBERN Cc1c(CC(=O)N2CCS[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC001586224447 1092711654 /nfs/dbraw/zinc/71/16/54/1092711654.db2.gz ZGQMQCAUUIGWLE-GFCCVEGCSA-N 0 0 334.319 2.910 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2nc(F)ccc21 ZINC001586267317 1092716602 /nfs/dbraw/zinc/71/66/02/1092716602.db2.gz ISIMUSXXNVQDNC-UHFFFAOYSA-N 0 0 333.344 2.810 10 5 EFBERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001586259873 1092716657 /nfs/dbraw/zinc/71/66/57/1092716657.db2.gz QWDNQOXYTCJJQM-UHFFFAOYSA-N 0 0 344.396 2.789 10 5 EFBERN C[C@H](Cc1cccnc1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001586274728 1092718691 /nfs/dbraw/zinc/71/86/91/1092718691.db2.gz BOHQKFFPGZNVNU-GFCCVEGCSA-N 0 0 336.351 2.899 10 5 EFBERN Cc1cccn2c(NC(=O)CCNc3ccccc3[N+](=O)[O-])cnc12 ZINC001586284479 1092720087 /nfs/dbraw/zinc/72/00/87/1092720087.db2.gz AIJXGZJLEPHUOT-UHFFFAOYSA-N 0 0 339.355 2.992 10 5 EFBERN CN(C(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nn1 ZINC001586358802 1092727431 /nfs/dbraw/zinc/72/74/31/1092727431.db2.gz SUAHKYUJRDKXAI-UHFFFAOYSA-N 0 0 344.224 2.819 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])CCN2C ZINC001586446641 1092735632 /nfs/dbraw/zinc/73/56/32/1092735632.db2.gz WUMGEINIOARGFH-UHFFFAOYSA-N 0 0 348.309 2.673 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)CCCC2=O ZINC001586680859 1092750556 /nfs/dbraw/zinc/75/05/56/1092750556.db2.gz YKUQLXZCXUOCRZ-UHFFFAOYSA-N 0 0 347.352 2.831 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cn(-c2ccccc2)nn1 ZINC001586687143 1092751927 /nfs/dbraw/zinc/75/19/27/1092751927.db2.gz DMUVSIZJIHZHTE-DHZHZOJOSA-N 0 0 335.323 2.827 10 5 EFBERN COc1ccc(N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC001586689124 1092752047 /nfs/dbraw/zinc/75/20/47/1092752047.db2.gz NUGBTCHXMQMRLT-UHFFFAOYSA-N 0 0 346.339 2.654 10 5 EFBERN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721487 1092754477 /nfs/dbraw/zinc/75/44/77/1092754477.db2.gz VOPBCXIBXYJORG-RYUDHWBXSA-N 0 0 345.355 2.666 10 5 EFBERN C[C@@H](Oc1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721088 1092754578 /nfs/dbraw/zinc/75/45/78/1092754578.db2.gz RUZLWSACKXOGSO-LLVKDONJSA-N 0 0 338.323 2.944 10 5 EFBERN CN(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)ccn1 ZINC001586719413 1092754623 /nfs/dbraw/zinc/75/46/23/1092754623.db2.gz CQPOJQLSRRFNLS-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001586733499 1092755423 /nfs/dbraw/zinc/75/54/23/1092755423.db2.gz UULBHQVEAXOSFX-GFCCVEGCSA-N 0 0 349.350 2.767 10 5 EFBERN COc1cc(C(=O)Nc2n[nH]c3ccccc32)c([N+](=O)[O-])cc1F ZINC001586763388 1092757240 /nfs/dbraw/zinc/75/72/40/1092757240.db2.gz AVCYPMKHOOAVRT-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN C[C@H](OC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ccnn1C ZINC001586792322 1092759786 /nfs/dbraw/zinc/75/97/86/1092759786.db2.gz MFAPEJWWVCCDFQ-JTQLQIEISA-N 0 0 340.339 2.982 10 5 EFBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C[C@@H]1C ZINC001586813913 1092761223 /nfs/dbraw/zinc/76/12/23/1092761223.db2.gz YOVGHCOBUBZFOK-UWVGGRQHSA-N 0 0 347.400 2.592 10 5 EFBERN O=C(NCC(F)(F)c1cccc(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC001586867048 1092763832 /nfs/dbraw/zinc/76/38/32/1092763832.db2.gz WTZJXAWDYOICLY-UHFFFAOYSA-N 0 0 325.246 2.651 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](c2ccccc2)CO1 ZINC001586938566 1092769877 /nfs/dbraw/zinc/76/98/77/1092769877.db2.gz NPAQKAXBZMMEKS-SJKOYZFVSA-N 0 0 341.367 2.779 10 5 EFBERN O=C(OCc1cscn1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001586981670 1092774074 /nfs/dbraw/zinc/77/40/74/1092774074.db2.gz FPBIVYVSRHBVJT-UHFFFAOYSA-N 0 0 344.352 2.653 10 5 EFBERN C[C@H](CC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)n1ccnc1 ZINC001586998755 1092775537 /nfs/dbraw/zinc/77/55/37/1092775537.db2.gz BMDOWVVGFKZAGH-LLVKDONJSA-N 0 0 325.328 2.929 10 5 EFBERN O=C(Cn1cc(Cl)cn1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001586999856 1092775628 /nfs/dbraw/zinc/77/56/28/1092775628.db2.gz YIUJXWSMRPOMTJ-UHFFFAOYSA-N 0 0 331.719 2.632 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCc1ccccc1 ZINC001587115450 1092783440 /nfs/dbraw/zinc/78/34/40/1092783440.db2.gz FPVGVHGNUAWNJN-UHFFFAOYSA-N 0 0 345.330 2.665 10 5 EFBERN Nc1c(C(=O)NCCc2ccccc2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001587115334 1092783925 /nfs/dbraw/zinc/78/39/25/1092783925.db2.gz BLSQPXFDSHTMST-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)cc1F)C1CC1 ZINC001587112230 1092783957 /nfs/dbraw/zinc/78/39/57/1092783957.db2.gz JVHYTSYVSKPWOI-AWEZNQCLSA-N 0 0 348.309 2.731 10 5 EFBERN COC(=O)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC001587139894 1092785558 /nfs/dbraw/zinc/78/55/58/1092785558.db2.gz FBOKLSPNFXJJBL-UHFFFAOYSA-N 0 0 342.351 2.549 10 5 EFBERN COCc1sccc1C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587147717 1092787784 /nfs/dbraw/zinc/78/77/84/1092787784.db2.gz CTEMOKIQVQKMPQ-UHFFFAOYSA-N 0 0 338.297 2.930 10 5 EFBERN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587270593 1092797551 /nfs/dbraw/zinc/79/75/51/1092797551.db2.gz BDFBDTJESKVTJN-LSDHHAIUSA-N 0 0 349.343 2.581 10 5 EFBERN COC(=O)C(C)(C)c1cccc(OC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC001587317807 1092799674 /nfs/dbraw/zinc/79/96/74/1092799674.db2.gz BCDMDNCZDBWMPG-UHFFFAOYSA-N 0 0 346.339 2.603 10 5 EFBERN CCCN(Cc1ccc(OC)cc1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587313342 1092799973 /nfs/dbraw/zinc/79/99/73/1092799973.db2.gz NARZYAMEEXVREW-UHFFFAOYSA-N 0 0 344.371 2.633 10 5 EFBERN C[C@@H](NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)C1CCCC1 ZINC001587319012 1092800117 /nfs/dbraw/zinc/80/01/17/1092800117.db2.gz PDDHPDAQXDOEQK-GFCCVEGCSA-N 0 0 343.387 2.543 10 5 EFBERN COc1ccc(CC(=O)Nc2cnc3c(C)cccn23)cc1[N+](=O)[O-] ZINC001587357810 1092806249 /nfs/dbraw/zinc/80/62/49/1092806249.db2.gz QOCQMTNIHZNDEO-UHFFFAOYSA-N 0 0 340.339 2.741 10 5 EFBERN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587375571 1092807691 /nfs/dbraw/zinc/80/76/91/1092807691.db2.gz FNCUAPVYYDVZCE-VFZGTOFNSA-N 0 0 344.346 2.765 10 5 EFBERN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587375568 1092808004 /nfs/dbraw/zinc/80/80/04/1092808004.db2.gz FNCUAPVYYDVZCE-BJOHPYRUSA-N 0 0 344.346 2.765 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1nccs1 ZINC001587420911 1092811400 /nfs/dbraw/zinc/81/14/00/1092811400.db2.gz GYJIIMFMKRVSOP-UHFFFAOYSA-N 0 0 340.748 2.915 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(=O)OC2CCCCC2)c1 ZINC000782340847 1092819633 /nfs/dbraw/zinc/81/96/33/1092819633.db2.gz KVQQAWFDKOWGCV-UHFFFAOYSA-N 0 0 336.344 2.669 10 5 EFBERN Cc1ccc(CNC(=O)Cc2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001587559619 1092823339 /nfs/dbraw/zinc/82/33/39/1092823339.db2.gz FWHVRZJVLHYRNF-UHFFFAOYSA-N 0 0 342.380 2.767 10 5 EFBERN COc1cc(Br)n(CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000782342050 1092824183 /nfs/dbraw/zinc/82/41/83/1092824183.db2.gz KOCMCDARZMJMJC-UHFFFAOYSA-N 0 0 342.149 2.641 10 5 EFBERN Nc1ncc(C(=O)N(Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] ZINC001587593190 1092827370 /nfs/dbraw/zinc/82/73/70/1092827370.db2.gz NHLAIURFZRAERO-UHFFFAOYSA-N 0 0 330.319 2.516 10 5 EFBERN Cc1cccc(C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC001587658644 1092839675 /nfs/dbraw/zinc/83/96/75/1092839675.db2.gz PMXPCSOHZSHDAK-GOEBONIOSA-N 0 0 341.367 2.948 10 5 EFBERN O=C(N[C@H]1COc2cc(F)ccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001587697922 1092842189 /nfs/dbraw/zinc/84/21/89/1092842189.db2.gz LWLBGVDNAFONHB-LLVKDONJSA-N 0 0 334.278 2.607 10 5 EFBERN CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC001587692810 1092842672 /nfs/dbraw/zinc/84/26/72/1092842672.db2.gz FOGONNOZCZEBPB-UHFFFAOYSA-N 0 0 348.315 2.884 10 5 EFBERN CC(C)(NC(=O)c1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001587709006 1092843990 /nfs/dbraw/zinc/84/39/90/1092843990.db2.gz YJHGOTUKVXUBMU-UHFFFAOYSA-N 0 0 342.311 2.903 10 5 EFBERN C[C@@H]1[C@@H](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001587740421 1092847606 /nfs/dbraw/zinc/84/76/06/1092847606.db2.gz MIAHPOWLGWLDFB-NWDGAFQWSA-N 0 0 329.356 2.779 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1cc2n(n1)CCCC2 ZINC001587802374 1092855796 /nfs/dbraw/zinc/85/57/96/1092855796.db2.gz HECKVYOUPQWXNZ-UHFFFAOYSA-N 0 0 337.339 2.928 10 5 EFBERN Cc1cccnc1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001587891203 1092865658 /nfs/dbraw/zinc/86/56/58/1092865658.db2.gz OSSDRRGJTRYFGP-UHFFFAOYSA-N 0 0 338.367 2.681 10 5 EFBERN COC(=O)[C@H]1Cc2c(cccc2C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001587914519 1092868383 /nfs/dbraw/zinc/86/83/83/1092868383.db2.gz VCFLHZMCYGIBAE-MRXNPFEDSA-N 0 0 340.335 2.648 10 5 EFBERN COC(=O)c1cc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c(C)o1 ZINC001587944758 1092871608 /nfs/dbraw/zinc/87/16/08/1092871608.db2.gz CSBPEHGESNSRKR-UHFFFAOYSA-N 0 0 348.286 2.625 10 5 EFBERN O=C(NCCc1nccn1C(F)F)c1cccc([N+](=O)[O-])c1Cl ZINC001587969213 1092875999 /nfs/dbraw/zinc/87/59/99/1092875999.db2.gz FVGHFWDNGBWBRL-UHFFFAOYSA-N 0 0 344.705 2.812 10 5 EFBERN CCOc1ccc(C(=O)Nc2cc(OC)cnc2F)cc1[N+](=O)[O-] ZINC001587971139 1092876832 /nfs/dbraw/zinc/87/68/32/1092876832.db2.gz KVGAZRGVWFYKGT-UHFFFAOYSA-N 0 0 335.291 2.789 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)n1 ZINC001588012980 1092882565 /nfs/dbraw/zinc/88/25/65/1092882565.db2.gz NPZCLMXWLVYAHJ-VIFPVBQESA-N 0 0 346.290 2.788 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)n1 ZINC001588021374 1092885151 /nfs/dbraw/zinc/88/51/51/1092885151.db2.gz ORXOOMSKUBITQX-LRDDRELGSA-N 0 0 329.356 2.540 10 5 EFBERN CCOc1ncccc1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001588221375 1092903868 /nfs/dbraw/zinc/90/38/68/1092903868.db2.gz HOJIQWIJKWSXLV-UHFFFAOYSA-N 0 0 349.774 2.901 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)n1 ZINC001588234206 1092906629 /nfs/dbraw/zinc/90/66/29/1092906629.db2.gz DSPBMPKBMOAJRD-HIFRSBDPSA-N 0 0 343.383 2.583 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)Cc2cncnc21 ZINC001588244048 1092909022 /nfs/dbraw/zinc/90/90/22/1092909022.db2.gz MXPGFWXNSLMPKC-SNVBAGLBSA-N 0 0 338.323 2.891 10 5 EFBERN Cn1nc(C(F)(F)F)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1Cl ZINC001588263946 1092909855 /nfs/dbraw/zinc/90/98/55/1092909855.db2.gz DQLJWSQRRSEOSJ-UHFFFAOYSA-N 0 0 349.656 2.648 10 5 EFBERN O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC001167592733 1092954607 /nfs/dbraw/zinc/95/46/07/1092954607.db2.gz KTSJDVBUSJCDSO-NSHDSACASA-N 0 0 344.154 2.693 10 5 EFBERN CCC[C@@]1(C)C(=O)NCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588550764 1093127204 /nfs/dbraw/zinc/12/72/04/1093127204.db2.gz LJTPVFBRTQGOLX-SQVRQVGWSA-N 0 0 345.399 2.515 10 5 EFBERN CCCc1[nH]ccc1C(=O)NCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001267211873 1093210724 /nfs/dbraw/zinc/21/07/24/1093210724.db2.gz VAJWDXIDCNGAOS-UHFFFAOYSA-N 0 0 344.415 2.737 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2ccc(-n3cncn3)nc2)c2ccccc21 ZINC001650624565 1093475721 /nfs/dbraw/zinc/47/57/21/1093475721.db2.gz AERPQAGZIHDCNZ-UHFFFAOYSA-N 0 0 347.338 2.731 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCOc1ccc(F)cc1 ZINC001650620391 1093475887 /nfs/dbraw/zinc/47/58/87/1093475887.db2.gz XIBVNVBFPZFROO-UHFFFAOYSA-N 0 0 348.256 2.977 10 5 EFBERN CCOC(=O)C1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001650660759 1093479653 /nfs/dbraw/zinc/47/96/53/1093479653.db2.gz BQDZBFRJRXZKSS-UHFFFAOYSA-N 0 0 340.351 2.760 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC001650660756 1093479814 /nfs/dbraw/zinc/47/98/14/1093479814.db2.gz BPUPRQZQUHRFCM-BQBZGAKWSA-N 0 0 346.231 2.895 10 5 EFBERN COc1ccc(-n2ccc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])n2)cc1 ZINC001650678819 1093481507 /nfs/dbraw/zinc/48/15/07/1093481507.db2.gz OKTOKAYLTUYJPB-UHFFFAOYSA-N 0 0 341.327 2.502 10 5 EFBERN O=C(NCCc1nccn1C(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001650695498 1093483634 /nfs/dbraw/zinc/48/36/34/1093483634.db2.gz RGMXJHQTEDZKHD-UHFFFAOYSA-N 0 0 344.705 2.812 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CO)c3c(F)cccc3F)nc2c1 ZINC001650744914 1093489797 /nfs/dbraw/zinc/48/97/97/1093489797.db2.gz QDMHIGNMRCFAHN-ZDUSSCGKSA-N 0 0 334.282 2.895 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(N2CC(c3nc4ccccc4[nH]3)C2)cc1F ZINC001650834830 1093497979 /nfs/dbraw/zinc/49/79/79/1093497979.db2.gz WJKPVZFNNVIMLT-UHFFFAOYSA-N 0 0 342.330 2.706 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccsn1 ZINC001650848849 1093499430 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CNC(=O)c1ccc(Oc2cc(OC)ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001651174288 1093535181 /nfs/dbraw/zinc/53/51/81/1093535181.db2.gz IAHDKSHOWZJYOU-UHFFFAOYSA-N 0 0 347.283 2.664 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCCCCCNC(=O)OC(C)(C)C)n1 ZINC001651171618 1093535396 /nfs/dbraw/zinc/53/53/96/1093535396.db2.gz GRRFAICDTKZMRF-UHFFFAOYSA-N 0 0 341.412 2.825 10 5 EFBERN COC(=O)c1cnc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001651166209 1093535434 /nfs/dbraw/zinc/53/54/34/1093535434.db2.gz HNHMVXLATFNXKJ-ZETCQYMHSA-N 0 0 347.356 2.887 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@]1(CO)CCc2ccccc21 ZINC001651206049 1093539115 /nfs/dbraw/zinc/53/91/15/1093539115.db2.gz REXDVAJGZWPJRF-FQEVSTJZSA-N 0 0 349.390 2.853 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@H]1c1ncccn1 ZINC001651244125 1093543430 /nfs/dbraw/zinc/54/34/30/1093543430.db2.gz MSMBZENZPBQCQU-AWEZNQCLSA-N 0 0 344.346 2.820 10 5 EFBERN Cc1cc(Nc2cnn(CCF)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651246599 1093545009 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332.335 2.927 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCc1ccccc1O ZINC001595792935 1094494335 /nfs/dbraw/zinc/49/43/35/1094494335.db2.gz PSOCQOKVHFMGQT-UHFFFAOYSA-N 0 0 332.331 2.731 10 5 EFBERN CCSc1cccnc1C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001596210742 1094518929 /nfs/dbraw/zinc/51/89/29/1094518929.db2.gz SFTARHLSLOUVBJ-UHFFFAOYSA-N 0 0 334.357 2.758 10 5 EFBERN COc1cccc(C(C)(C)C(=O)Nc2ncc([N+](=O)[O-])cc2OC)c1 ZINC001596210266 1094519001 /nfs/dbraw/zinc/51/90/01/1094519001.db2.gz JYFCDOIIVOYVGP-UHFFFAOYSA-N 0 0 345.355 2.923 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnccc1-c1ccc(F)cc1 ZINC001596252436 1094522408 /nfs/dbraw/zinc/52/24/08/1094522408.db2.gz FMKBNXXZBDLEPD-UHFFFAOYSA-N 0 0 341.302 2.631 10 5 EFBERN COC(C)(C)c1nsc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC001596399194 1094529662 /nfs/dbraw/zinc/52/96/62/1094529662.db2.gz SNAZUHKHTMZZMI-UHFFFAOYSA-N 0 0 336.373 2.889 10 5 EFBERN Cn1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC001596392153 1094529920 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Cc1cc(C)nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC001596787310 1094546711 /nfs/dbraw/zinc/54/67/11/1094546711.db2.gz BVTBTDNNDVGWOG-UHFFFAOYSA-N 0 0 347.396 2.943 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ncsc1C1CC1 ZINC001596874706 1094550603 /nfs/dbraw/zinc/55/06/03/1094550603.db2.gz UHICWUVDIJRQMT-UHFFFAOYSA-N 0 0 343.368 2.917 10 5 EFBERN COC(=O)c1cc(C(=O)NCCC[C@@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC001596910218 1094551688 /nfs/dbraw/zinc/55/16/88/1094551688.db2.gz ODKHPBJDBXFIBY-GFCCVEGCSA-N 0 0 332.356 2.858 10 5 EFBERN Cc1nc(C)c(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[nH]1 ZINC001596960281 1094555372 /nfs/dbraw/zinc/55/53/72/1094555372.db2.gz UFEIOADMKYAKFK-UHFFFAOYSA-N 0 0 339.355 2.600 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC001596981445 1094556773 /nfs/dbraw/zinc/55/67/73/1094556773.db2.gz AXEPVUNKUDGAHG-UHFFFAOYSA-N 0 0 346.391 2.584 10 5 EFBERN COC(=O)c1ccc(/C=C\C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001596983837 1094557282 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EFBERN O=C(C[C@@H]1CCCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC001631040383 1100364673 /nfs/dbraw/zinc/36/46/73/1100364673.db2.gz ZUGSQNFMAGANAH-NSHDSACASA-N 0 0 346.343 2.569 10 5 EFBERN Cc1ccn2cc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)nc2c1 ZINC001631089859 1100368250 /nfs/dbraw/zinc/36/82/50/1100368250.db2.gz UZSAHFHURDDVTF-UHFFFAOYSA-N 0 0 346.293 2.759 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001631371079 1100391550 /nfs/dbraw/zinc/39/15/50/1100391550.db2.gz PCFQUIJZRPGIPG-DOMZBBRYSA-N 0 0 338.791 2.818 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001631400575 1100395797 /nfs/dbraw/zinc/39/57/97/1100395797.db2.gz CDBJXXPZTRCXRE-UHFFFAOYSA-N 0 0 332.331 2.677 10 5 EFBERN CCOc1cc(Cl)ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001631472218 1100401481 /nfs/dbraw/zinc/40/14/81/1100401481.db2.gz HWCUPHXXCMVSKT-UHFFFAOYSA-N 0 0 337.719 3.000 10 5 EFBERN CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001631502523 1100405313 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10 5 EFBERN O=C(Nc1nncn1-c1ccccc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001632043844 1100449650 /nfs/dbraw/zinc/44/96/50/1100449650.db2.gz WUWDWEQSAIUTSU-CVEARBPZSA-N 0 0 349.350 2.918 10 5 EFBERN CCc1cccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1O ZINC001632080389 1100452174 /nfs/dbraw/zinc/45/21/74/1100452174.db2.gz FEVQDQXZYFWDRZ-SFHVURJKSA-N 0 0 344.367 2.500 10 5 EFBERN CCc1ccc(C(=O)NCCc2csc(N(C)C)n2)cc1[N+](=O)[O-] ZINC001632176819 1100457771 /nfs/dbraw/zinc/45/77/71/1100457771.db2.gz CHGWMZQHCXNCOK-UHFFFAOYSA-N 0 0 348.428 2.652 10 5 EFBERN C[NH+](C)CCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001632236419 1100461700 /nfs/dbraw/zinc/46/17/00/1100461700.db2.gz NXRJDHDCCSIMMP-UHFFFAOYSA-N 0 0 329.356 2.657 10 5 EFBERN C[C@H]1CCc2[nH]nc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC001632260907 1100462604 /nfs/dbraw/zinc/46/26/04/1100462604.db2.gz XLGCFBRKCSLIKR-QMMMGPOBSA-N 0 0 340.343 2.571 10 5 EFBERN CCc1nnc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[nH]1 ZINC001632355085 1100468080 /nfs/dbraw/zinc/46/80/80/1100468080.db2.gz KWHKPIZEDMQOIB-UHFFFAOYSA-N 0 0 338.327 2.590 10 5 EFBERN Cn1cc(C(F)F)c(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC001632348693 1100468629 /nfs/dbraw/zinc/46/86/29/1100468629.db2.gz DNKLJVRHNOCSSN-UHFFFAOYSA-N 0 0 349.297 2.677 10 5 EFBERN Cc1ccc(CNC(=O)C(F)(F)C2(O)CCCCC2)cc1[N+](=O)[O-] ZINC001632370282 1100469213 /nfs/dbraw/zinc/46/92/13/1100469213.db2.gz LOPMLFYZRWXHOJ-UHFFFAOYSA-N 0 0 342.342 2.850 10 5 EFBERN Cc1ccncc1CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001632400492 1100471576 /nfs/dbraw/zinc/47/15/76/1100471576.db2.gz IYEFRDQFHGGSBA-UHFFFAOYSA-N 0 0 333.775 2.853 10 5 EFBERN CCC1(CC)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001632459779 1100476395 /nfs/dbraw/zinc/47/63/95/1100476395.db2.gz UOWQXYJVJZTACY-CABCVRRESA-N 0 0 335.404 2.717 10 5 EFBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1c(F)cccc1[N+](=O)[O-] ZINC001632501428 1100478204 /nfs/dbraw/zinc/47/82/04/1100478204.db2.gz CGVZGAWBBNSEON-ZDUSSCGKSA-N 0 0 332.287 2.802 10 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1100507042 /nfs/dbraw/zinc/50/70/42/1100507042.db2.gz ZEASWZGTMYIIAV-UHFFFAOYSA-N 0 0 347.400 2.950 10 5 EFBERN COc1cccc(C(=O)CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001632981730 1100512710 /nfs/dbraw/zinc/51/27/10/1100512710.db2.gz RSHRALJYYSKSBM-UHFFFAOYSA-N 0 0 342.351 2.535 10 5 EFBERN O=C(c1onc2ccccc21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001633006266 1100514629 /nfs/dbraw/zinc/51/46/29/1100514629.db2.gz FFIUIGANGAJEFV-UHFFFAOYSA-N 0 0 339.307 2.639 10 5 EFBERN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(C)o1 ZINC001633007228 1100515372 /nfs/dbraw/zinc/51/53/72/1100515372.db2.gz AFCJSTDUYXLKKR-AWEZNQCLSA-N 0 0 333.344 2.586 10 5 EFBERN CC(C)[C@H](O)C(C)(C)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001633339641 1100537368 /nfs/dbraw/zinc/53/73/68/1100537368.db2.gz PNXGOLCGINJPSF-HNNXBMFYSA-N 0 0 342.823 2.950 10 5 EFBERN Nc1c(C(=O)N2CCC(CCO)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001633355396 1100538320 /nfs/dbraw/zinc/53/83/20/1100538320.db2.gz IZFCUUZRRFTTDU-UHFFFAOYSA-N 0 0 343.383 2.565 10 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/nfs/dbraw/zinc/56/31/16/1100563116.db2.gz QHPULLDDZQVHAG-HSBHDXMMSA-N 0 0 340.763 2.876 10 5 EFBERN Nc1c(C(=O)NCC2CCC(O)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001633783230 1100565171 /nfs/dbraw/zinc/56/51/71/1100565171.db2.gz HXKMHHJQYCCRLX-UHFFFAOYSA-N 0 0 343.383 2.611 10 5 EFBERN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1O ZINC001633834616 1100568369 /nfs/dbraw/zinc/56/83/69/1100568369.db2.gz CJXJPWOGZBROCF-SNVBAGLBSA-N 0 0 328.324 2.994 10 5 EFBERN CC[C@H](NC(=O)N[C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC001633921472 1100574620 /nfs/dbraw/zinc/57/46/20/1100574620.db2.gz GMLPITKCOAIGQU-RISCZKNCSA-N 0 0 331.376 2.840 10 5 EFBERN O=Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)co1 ZINC001633932293 1100575881 /nfs/dbraw/zinc/57/58/81/1100575881.db2.gz QIIPVSQBZNJGOE-OAHLLOKOSA-N 0 0 332.337 2.888 10 5 EFBERN O=C(N[C@@H]1CCn2cncc21)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001634085523 1100583856 /nfs/dbraw/zinc/58/38/56/1100583856.db2.gz YLWBYJHGOPQWAA-SNVBAGLBSA-N 0 0 341.154 2.973 10 5 EFBERN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001634129842 1100586474 /nfs/dbraw/zinc/58/64/74/1100586474.db2.gz PUIMQRLUXGOMAU-LLVKDONJSA-N 0 0 331.294 2.980 10 5 EFBERN CC(=Cc1ccncc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634186783 1100589515 /nfs/dbraw/zinc/58/95/15/1100589515.db2.gz HWPYCDOODXNZAQ-DHZHZOJOSA-N 0 0 337.339 2.586 10 5 EFBERN Cc1c(CNC(=O)NCc2cc(C(F)F)on2)cccc1[N+](=O)[O-] ZINC001634225950 1100592476 /nfs/dbraw/zinc/59/24/76/1100592476.db2.gz YBIPNRYVCQGSRQ-UHFFFAOYSA-N 0 0 340.286 2.828 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1N ZINC001634242009 1100593038 /nfs/dbraw/zinc/59/30/38/1100593038.db2.gz MROBDCNMVLDUQS-UHFFFAOYSA-N 0 0 347.302 2.663 10 5 EFBERN Cc1cccc(CONC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC001634255633 1100593939 /nfs/dbraw/zinc/59/39/39/1100593939.db2.gz WZXJYEIMQQOEGS-UHFFFAOYSA-N 0 0 326.312 2.641 10 5 EFBERN Cc1cccc(CONC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001634255265 1100594194 /nfs/dbraw/zinc/59/41/94/1100594194.db2.gz RNQLZRKGYAVQHM-UHFFFAOYSA-N 0 0 343.339 2.509 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cnc2[nH]ccc2c1 ZINC001634303642 1100598228 /nfs/dbraw/zinc/59/82/28/1100598228.db2.gz INVRQXFUYCKEAF-UHFFFAOYSA-N 0 0 330.275 2.579 10 5 EFBERN Cc1ccc(SC[C@H](C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001634328481 1100600581 /nfs/dbraw/zinc/60/05/81/1100600581.db2.gz AXKOYDIEORASIX-NSHDSACASA-N 0 0 346.412 2.791 10 5 EFBERN COC(=O)c1cc(NC(=O)C(C)(C)CCC(C)=O)cc([N+](=O)[O-])c1 ZINC001634348311 1100602467 /nfs/dbraw/zinc/60/24/67/1100602467.db2.gz WKUXEAFCTFSKQN-UHFFFAOYSA-N 0 0 336.344 2.715 10 5 EFBERN CC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(F)(F)F ZINC001634438305 1100607783 /nfs/dbraw/zinc/60/77/83/1100607783.db2.gz PVOLNFBUVGJDEX-QMMMGPOBSA-N 0 0 325.674 2.901 10 5 EFBERN Nc1c(F)c(Cl)ccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001634471929 1100609596 /nfs/dbraw/zinc/60/95/96/1100609596.db2.gz LHTTVZIIVHYUNC-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN Cc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc(NC2CC2)n1 ZINC001634471585 1100609652 /nfs/dbraw/zinc/60/96/52/1100609652.db2.gz GYBXSEJBFHZGET-UHFFFAOYSA-N 0 0 340.383 2.845 10 5 EFBERN CCc1occc1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634478401 1100610688 /nfs/dbraw/zinc/61/06/88/1100610688.db2.gz XAXKBRMNGBMDAO-UHFFFAOYSA-N 0 0 342.355 2.989 10 5 EFBERN Cc1ncccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001634508381 1100612175 /nfs/dbraw/zinc/61/21/75/1100612175.db2.gz UNAKAKHJSADJKY-UHFFFAOYSA-N 0 0 338.323 2.864 10 5 EFBERN Nc1c(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)cc(F)cc1[N+](=O)[O-] ZINC001634545758 1100615111 /nfs/dbraw/zinc/61/51/11/1100615111.db2.gz VJIFRUYKNSESNX-IAQYHMDHSA-N 0 0 349.293 2.518 10 5 EFBERN Cc1cc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c(N)c([N+](=O)[O-])c1 ZINC001634545533 1100615146 /nfs/dbraw/zinc/61/51/46/1100615146.db2.gz PVTWMVKSPGHSIQ-LRDDRELGSA-N 0 0 345.330 2.687 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1csc(Cc2ccc(F)cc2)n1 ZINC001634599967 1100618235 /nfs/dbraw/zinc/61/82/35/1100618235.db2.gz ZHQVXLUJUWQZOO-UHFFFAOYSA-N 0 0 347.331 2.757 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001634615794 1100618932 /nfs/dbraw/zinc/61/89/32/1100618932.db2.gz QFNOBONEENBNPS-GUYCJALGSA-N 0 0 341.367 2.827 10 5 EFBERN C[C@@H]1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001634644672 1100621592 /nfs/dbraw/zinc/62/15/92/1100621592.db2.gz HOGSPFVHUHLUEK-CHWSQXEVSA-N 0 0 333.388 2.804 10 5 EFBERN CC(C)COC1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001634657022 1100622239 /nfs/dbraw/zinc/62/22/39/1100622239.db2.gz MBGAIUBQTNDRHU-UHFFFAOYSA-N 0 0 326.780 2.674 10 5 EFBERN Cc1nc([C@H]2CCCN2C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[nH]c1C ZINC001634696167 1100625166 /nfs/dbraw/zinc/62/51/66/1100625166.db2.gz BQADOMSHROCBQZ-LLVKDONJSA-N 0 0 346.391 2.759 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001634728775 1100626271 /nfs/dbraw/zinc/62/62/71/1100626271.db2.gz IZYMNWGTXMTYOB-QWHCGFSZSA-N 0 0 335.310 2.663 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001634729045 1100626275 /nfs/dbraw/zinc/62/62/75/1100626275.db2.gz NIBKYNRDVPZFBF-NEPJUHHUSA-N 0 0 340.326 2.786 10 5 EFBERN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001634729991 1100627123 /nfs/dbraw/zinc/62/71/23/1100627123.db2.gz YANYWRWXSXRUJW-QWHCGFSZSA-N 0 0 348.309 2.508 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001634777984 1100629324 /nfs/dbraw/zinc/62/93/24/1100629324.db2.gz YVBPNYPHTQMKFH-UHFFFAOYSA-N 0 0 342.351 2.928 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccnc2[nH]cnc21 ZINC001634863349 1100633266 /nfs/dbraw/zinc/63/32/66/1100633266.db2.gz HITPAYNPLFNYQT-UHFFFAOYSA-N 0 0 339.355 2.619 10 5 EFBERN CCn1cc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)cn1 ZINC001634899074 1100634772 /nfs/dbraw/zinc/63/47/72/1100634772.db2.gz HRBXURTXPFJHTK-UHFFFAOYSA-N 0 0 326.715 2.534 10 5 EFBERN C[C@H](CNC(=O)NCC(C)(C)C(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC001635266880 1100652343 /nfs/dbraw/zinc/65/23/43/1100652343.db2.gz QUKQZPZPOJONNZ-GFCCVEGCSA-N 0 0 337.420 2.795 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2ncon2)C1 ZINC001635320965 1100654437 /nfs/dbraw/zinc/65/44/37/1100654437.db2.gz OMPKRZXUHWSZGI-VIFPVBQESA-N 0 0 336.735 2.651 10 5 EFBERN Cc1cc(Cl)c(C(=O)N2CC(O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001635404539 1100660798 /nfs/dbraw/zinc/66/07/98/1100660798.db2.gz GWETYIXZEGYLSJ-UHFFFAOYSA-N 0 0 346.770 2.900 10 5 EFBERN Cn1cc(Cl)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC001635421545 1100661883 /nfs/dbraw/zinc/66/18/83/1100661883.db2.gz RNOOCTZGJPZNSA-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001635449561 1100662435 /nfs/dbraw/zinc/66/24/35/1100662435.db2.gz VGYMZUGZKZHVRR-IUODEOHRSA-N 0 0 340.383 2.899 10 5 EFBERN Cc1n[nH]c(C)c1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001635464088 1100662975 /nfs/dbraw/zinc/66/29/75/1100662975.db2.gz QSEUESPHRBZFKH-UHFFFAOYSA-N 0 0 342.399 2.715 10 5 EFBERN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)n1 ZINC001635460797 1100663031 /nfs/dbraw/zinc/66/30/31/1100663031.db2.gz QTVLZYOYYKYNPN-INIZCTEOSA-N 0 0 326.356 2.858 10 5 EFBERN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ncccc1F ZINC001635477554 1100663932 /nfs/dbraw/zinc/66/39/32/1100663932.db2.gz VGSIHIYKIDNSJI-LLVKDONJSA-N 0 0 342.330 2.961 10 5 EFBERN O=C(Nc1cnn2c1CCCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001635511323 1100665689 /nfs/dbraw/zinc/66/56/89/1100665689.db2.gz YGACJMVZDUOFDK-UHFFFAOYSA-N 0 0 325.328 2.861 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001635618517 1100670763 /nfs/dbraw/zinc/67/07/63/1100670763.db2.gz LWPDQIXNJSLJOG-GOSISDBHSA-N 0 0 343.383 2.751 10 5 EFBERN COc1ccc(CN(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1O ZINC001635657857 1100672629 /nfs/dbraw/zinc/67/26/29/1100672629.db2.gz DEABMGWVNQEDCH-UHFFFAOYSA-N 0 0 348.330 2.649 10 5 EFBERN O=C(NCCCc1ccccc1F)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001635726557 1100676529 /nfs/dbraw/zinc/67/65/29/1100676529.db2.gz UUDPHSXIURVVCW-INIZCTEOSA-N 0 0 332.331 2.516 10 5 EFBERN CC(C)(C(=O)NCc1nc2c([nH]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001635854540 1100684594 /nfs/dbraw/zinc/68/45/94/1100684594.db2.gz HHHRJFQLDWVKQA-UHFFFAOYSA-N 0 0 342.399 2.791 10 5 EFBERN O=C(C1=C[S@@](=O)CCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001635911956 1100687045 /nfs/dbraw/zinc/68/70/45/1100687045.db2.gz RLINIUSOLPBGLB-BSEYFRJRSA-N 0 0 348.424 2.727 10 5 EFBERN O=C(C1=C[S@@](=O)CCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001635911960 1100687171 /nfs/dbraw/zinc/68/71/71/1100687171.db2.gz RLINIUSOLPBGLB-SHACYNPGSA-N 0 0 348.424 2.727 10 5 EFBERN Cc1ccc(CNC(=O)c2c(C)nc(C(C)C)[nH]c2=O)cc1[N+](=O)[O-] ZINC001635926721 1100688105 /nfs/dbraw/zinc/68/81/05/1100688105.db2.gz SPQSMZHXDFFPLA-UHFFFAOYSA-N 0 0 344.371 2.761 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@H](Nc2ccccc2)C1 ZINC001635963894 1100690525 /nfs/dbraw/zinc/69/05/25/1100690525.db2.gz FJDADBATYQIZFQ-NSHDSACASA-N 0 0 349.778 2.688 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cnc2n[nH]cc2c1 ZINC001635992113 1100692009 /nfs/dbraw/zinc/69/20/09/1100692009.db2.gz RZAQMHMSWVAESL-UHFFFAOYSA-N 0 0 349.709 2.840 10 5 EFBERN Cc1cc2cc(CNC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)ccc2[nH]1 ZINC001636009868 1100693651 /nfs/dbraw/zinc/69/36/51/1100693651.db2.gz NKIBREJLALATQJ-UHFFFAOYSA-N 0 0 333.735 2.691 10 5 EFBERN Nc1c(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)cccc1[N+](=O)[O-] ZINC001636084726 1100699716 /nfs/dbraw/zinc/69/97/16/1100699716.db2.gz AJYNCCMMVMLTPJ-SGTLLEGYSA-N 0 0 338.367 2.723 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001636086582 1100699890 /nfs/dbraw/zinc/69/98/90/1100699890.db2.gz IQLCBCNBGCLCHX-SNVBAGLBSA-N 0 0 339.779 2.662 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)cc1[N+](=O)[O-] ZINC001636085661 1100700330 /nfs/dbraw/zinc/70/03/30/1100700330.db2.gz KHUJRWJDJCEEJX-ZETCQYMHSA-N 0 0 343.265 2.531 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC001636122738 1100701525 /nfs/dbraw/zinc/70/15/25/1100701525.db2.gz OKNQYHLKUHMJCM-UHFFFAOYSA-N 0 0 345.311 2.599 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH]cc(C)c(=O)c2C)c1 ZINC001636153714 1100703132 /nfs/dbraw/zinc/70/31/32/1100703132.db2.gz RJYFEVMJEUBPTF-UHFFFAOYSA-N 0 0 347.396 2.552 10 5 EFBERN CCc1ccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001636237009 1100708313 /nfs/dbraw/zinc/70/83/13/1100708313.db2.gz BYEZXEGBDRVBQB-MRXNPFEDSA-N 0 0 332.331 2.760 10 5 EFBERN C[C@H]1CCC[C@H](C)N1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001636279174 1100710682 /nfs/dbraw/zinc/71/06/82/1100710682.db2.gz FFFDELFRSWCSSO-STQMWFEESA-N 0 0 330.388 2.844 10 5 EFBERN COc1ccccc1[C@H](O)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001636289954 1100711202 /nfs/dbraw/zinc/71/12/02/1100711202.db2.gz WRKCAHKXEFUITP-PXAZEXFGSA-N 0 0 344.367 2.557 10 5 EFBERN CC(C)NC(=O)CCCC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001636284147 1100711264 /nfs/dbraw/zinc/71/12/64/1100711264.db2.gz KIFZUYTZPLKEAZ-ZDUSSCGKSA-N 0 0 335.404 2.509 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCCc2ccsc2)cc1[N+](=O)[O-] ZINC000050709707 1100717620 /nfs/dbraw/zinc/71/76/20/1100717620.db2.gz YTYXEFSSHFROSF-UHFFFAOYSA-N 0 0 325.777 2.864 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCC3(CCC3)O2)c1[N+](=O)[O-] ZINC001636414973 1100717885 /nfs/dbraw/zinc/71/78/85/1100717885.db2.gz PZLMKCITUWIRSR-LLVKDONJSA-N 0 0 336.392 2.663 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2cccc(O)c2F)cc1[N+](=O)[O-] ZINC001636435139 1100718470 /nfs/dbraw/zinc/71/84/70/1100718470.db2.gz JMKMHTKTUJMBRJ-UHFFFAOYSA-N 0 0 337.282 2.897 10 5 EFBERN O=C(Nc1cccc2c1NC(=O)CO2)c1cccc([N+](=O)[O-])c1Cl ZINC001636441030 1100719602 /nfs/dbraw/zinc/71/96/02/1100719602.db2.gz PDBOQFYLGVVKRC-UHFFFAOYSA-N 0 0 347.714 2.831 10 5 EFBERN C[C@@H](Cc1cccc(O)c1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001636517047 1100723266 /nfs/dbraw/zinc/72/32/66/1100723266.db2.gz PVVZCYDVSCXCLL-NSHDSACASA-N 0 0 332.331 2.729 10 5 EFBERN C[C@H](Cc1cccc(O)c1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001636517736 1100723331 /nfs/dbraw/zinc/72/33/31/1100723331.db2.gz YGLQYSHWFHHFCF-LLVKDONJSA-N 0 0 332.331 2.729 10 5 EFBERN Nc1ncc(C(=O)Nc2nc3ccccc3n2C2CC2)cc1[N+](=O)[O-] ZINC001636526589 1100723827 /nfs/dbraw/zinc/72/38/27/1100723827.db2.gz ZLCRDFJTFNAEKG-UHFFFAOYSA-N 0 0 338.327 2.509 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2Cc3cncnc3[C@H](C)C2)c1F ZINC001636527086 1100725017 /nfs/dbraw/zinc/72/50/17/1100725017.db2.gz TUDKRFMATZHLGN-SECBINFHSA-N 0 0 348.309 2.731 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)NCc2conc2C)cc1SC ZINC001636611116 1100730489 /nfs/dbraw/zinc/73/04/89/1100730489.db2.gz PBKSSVKDYHYOQA-UHFFFAOYSA-N 0 0 337.357 2.552 10 5 EFBERN Cc1ccc(NC(=O)c2cncn2-c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001636724038 1100734436 /nfs/dbraw/zinc/73/44/36/1100734436.db2.gz LDLBEPDLNIDDBK-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN Cc1ccc(NC(=O)[C@@]2(C)OCCc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001636729072 1100734767 /nfs/dbraw/zinc/73/47/67/1100734767.db2.gz LTJUPWNQDSMPBP-SFHVURJKSA-N 0 0 341.367 2.912 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)C2)c(N)c1[N+](=O)[O-] ZINC001636729091 1100734786 /nfs/dbraw/zinc/73/47/86/1100734786.db2.gz MTUVSSIRJZUXKD-CYBMUJFWSA-N 0 0 340.383 2.950 10 5 EFBERN Cc1ccc(NC(=O)[C@]2(C)OCCc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001636729071 1100735167 /nfs/dbraw/zinc/73/51/67/1100735167.db2.gz LTJUPWNQDSMPBP-GOSISDBHSA-N 0 0 341.367 2.912 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC001636815754 1100739705 /nfs/dbraw/zinc/73/97/05/1100739705.db2.gz CAKNSPUCHSBZIY-SJKOYZFVSA-N 0 0 346.358 2.764 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c3[nH]c(=O)ccc23)cc1Cl ZINC001636842539 1100741159 /nfs/dbraw/zinc/74/11/59/1100741159.db2.gz ZFBABUKDLFPLFS-UHFFFAOYSA-N 0 0 347.718 2.786 10 5 EFBERN CC(=O)c1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1O ZINC001636953806 1100746830 /nfs/dbraw/zinc/74/68/30/1100746830.db2.gz ZENRAJPNKKHGOA-UHFFFAOYSA-N 0 0 344.323 2.911 10 5 EFBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C(F)(F)C(F)F ZINC001637003232 1100750404 /nfs/dbraw/zinc/75/04/04/1100750404.db2.gz HREYYVYZROFJGV-UHFFFAOYSA-N 0 0 332.213 2.824 10 5 EFBERN Cc1ccc(CNC(=O)NCc2c(C3CC3)cnn2C)cc1[N+](=O)[O-] ZINC001637031459 1100752698 /nfs/dbraw/zinc/75/26/98/1100752698.db2.gz CVSAQOWXCJOZTQ-UHFFFAOYSA-N 0 0 343.387 2.514 10 5 EFBERN O=C(NCc1ccc2[nH]cnc2c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001637157531 1100761295 /nfs/dbraw/zinc/76/12/95/1100761295.db2.gz BXTNWNGXVOYVBW-HUUCEWRRSA-N 0 0 336.351 2.891 10 5 EFBERN C[C@@]1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC001637200930 1100763898 /nfs/dbraw/zinc/76/38/98/1100763898.db2.gz QSXUGUWMMFSBHP-QGZVFWFLSA-N 0 0 327.340 2.604 10 5 EFBERN C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC001637200826 1100764326 /nfs/dbraw/zinc/76/43/26/1100764326.db2.gz OWDGNZCBODMJNN-NSHDSACASA-N 0 0 326.356 2.567 10 5 EFBERN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001637210617 1100764894 /nfs/dbraw/zinc/76/48/94/1100764894.db2.gz MHUQNVNHQYIMHQ-HZSPNIEDSA-N 0 0 345.399 2.804 10 5 EFBERN CC[C@]1(C)COCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637223207 1100764940 /nfs/dbraw/zinc/76/49/40/1100764940.db2.gz MJXWEUIZFJWUPX-OAHLLOKOSA-N 0 0 326.780 2.818 10 5 EFBERN COC(=O)c1c(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1F ZINC001637277303 1100769205 /nfs/dbraw/zinc/76/92/05/1100769205.db2.gz JWNQHESCGGVEMU-UHFFFAOYSA-N 0 0 347.302 2.663 10 5 EFBERN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001637280943 1100770169 /nfs/dbraw/zinc/77/01/69/1100770169.db2.gz JXODPACGTSCABB-HWPZZCPQSA-N 0 0 347.346 2.822 10 5 EFBERN CSc1ccc(C(=O)NCc2cnc(Cl)cn2)cc1[N+](=O)[O-] ZINC001637384959 1100777342 /nfs/dbraw/zinc/77/73/42/1100777342.db2.gz LETJUTCLGBJEIN-UHFFFAOYSA-N 0 0 338.776 2.690 10 5 EFBERN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)[C@H](CO)c1ccccc1 ZINC001637388543 1100778626 /nfs/dbraw/zinc/77/86/26/1100778626.db2.gz VNXFOAABRHJRPW-MRXNPFEDSA-N 0 0 339.351 2.882 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC(c2ccc(F)cc2)C1 ZINC001637435477 1100782004 /nfs/dbraw/zinc/78/20/04/1100782004.db2.gz DKDVEBPHBTTYMJ-UHFFFAOYSA-N 0 0 344.298 2.702 10 5 EFBERN CC(=O)c1cccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC001637465421 1100784782 /nfs/dbraw/zinc/78/47/82/1100784782.db2.gz RTGOLCMCPAEOAF-UHFFFAOYSA-N 0 0 342.351 2.883 10 5 EFBERN CC(=O)c1cccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001637465236 1100785221 /nfs/dbraw/zinc/78/52/21/1100785221.db2.gz OGXVAWLJTNAPMP-UHFFFAOYSA-N 0 0 347.758 2.963 10 5 EFBERN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001637574023 1100790773 /nfs/dbraw/zinc/79/07/73/1100790773.db2.gz HWAQONIHOGEPRK-OAHLLOKOSA-N 0 0 337.339 2.575 10 5 EFBERN COc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)cc(OC)c1 ZINC001637748802 1100803740 /nfs/dbraw/zinc/80/37/40/1100803740.db2.gz ZOGWVJDMWIHEJX-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN CNc1c(C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)cccc1[N+](=O)[O-] ZINC001637799300 1100806892 /nfs/dbraw/zinc/80/68/92/1100806892.db2.gz PLGPCSLMRMYPOJ-DEOSSOPVSA-N 0 0 348.384 2.924 10 5 EFBERN C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C(F)(F)F)C1 ZINC001637819417 1100807681 /nfs/dbraw/zinc/80/76/81/1100807681.db2.gz FWXSFXCPRSXFHC-JIMOISOXSA-N 0 0 346.305 2.818 10 5 EFBERN CCc1nccn1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001637863214 1100812354 /nfs/dbraw/zinc/81/23/54/1100812354.db2.gz FDZKBSNFHBKQNS-UHFFFAOYSA-N 0 0 330.388 2.907 10 5 EFBERN O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001637896985 1100814706 /nfs/dbraw/zinc/81/47/06/1100814706.db2.gz XERYAJLRLYOHFZ-GASCZTMLSA-N 0 0 344.415 2.572 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2c1C(=O)CC2 ZINC001637906204 1100815740 /nfs/dbraw/zinc/81/57/40/1100815740.db2.gz CXNUIYLZOSOMEM-UHFFFAOYSA-N 0 0 336.307 2.852 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2cccnc2n1 ZINC001637906203 1100815878 /nfs/dbraw/zinc/81/58/78/1100815878.db2.gz CVSZVHFYGMJMLF-UHFFFAOYSA-N 0 0 334.295 2.667 10 5 EFBERN Cc1noc([C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C(C)C)n1 ZINC001637901044 1100816391 /nfs/dbraw/zinc/81/63/91/1100816391.db2.gz PQSLLNQDTPKQEP-AWEZNQCLSA-N 0 0 343.343 2.895 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC12CCCC2 ZINC001637920474 1100817256 /nfs/dbraw/zinc/81/72/56/1100817256.db2.gz QYCWOHYAIZXNJM-UHFFFAOYSA-N 0 0 338.791 2.962 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)C1CCC1 ZINC001637983562 1100822543 /nfs/dbraw/zinc/82/25/43/1100822543.db2.gz HIVYEUFTHJWPOD-VIFPVBQESA-N 0 0 347.400 2.783 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NCC1(CC2CC2)CC1 ZINC001638049434 1100828310 /nfs/dbraw/zinc/82/83/10/1100828310.db2.gz XLKIWBLCGAHPDI-UHFFFAOYSA-N 0 0 332.404 2.886 10 5 EFBERN Cc1cc(C)n2ncc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC001638065400 1100828820 /nfs/dbraw/zinc/82/88/20/1100828820.db2.gz GSEFCRLQHRYUDH-LBPRGKRZSA-N 0 0 339.355 2.745 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cnc(Cc2ccc(F)cc2)s1 ZINC001638119191 1100835073 /nfs/dbraw/zinc/83/50/73/1100835073.db2.gz LSWAHSYDEVEOMI-UHFFFAOYSA-N 0 0 347.331 2.757 10 5 EFBERN COc1cccnc1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001638120019 1100835179 /nfs/dbraw/zinc/83/51/79/1100835179.db2.gz COUMWILZXXUWLT-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC001638143689 1100836122 /nfs/dbraw/zinc/83/61/22/1100836122.db2.gz HDVQBMNUUSGSHU-CMPLNLGQSA-N 0 0 345.359 2.546 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001638379474 1100853096 /nfs/dbraw/zinc/85/30/96/1100853096.db2.gz LFYKNGISZKTMIA-SCRDCRAPSA-N 0 0 349.387 2.687 10 5 EFBERN Nc1ccc(NC(=O)c2noc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC001638381644 1100854297 /nfs/dbraw/zinc/85/42/97/1100854297.db2.gz NUQLOWLGSQAMJQ-UHFFFAOYSA-N 0 0 343.274 2.618 10 5 EFBERN Nc1ccc(NC(=O)Cc2cc(Cl)cc3c2OCC3)cc1[N+](=O)[O-] ZINC001638382117 1100854359 /nfs/dbraw/zinc/85/43/59/1100854359.db2.gz ZNXXEPRIHKKSBG-UHFFFAOYSA-N 0 0 347.758 2.947 10 5 EFBERN O=C(NCc1cc(C(F)F)on1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001638452822 1100861301 /nfs/dbraw/zinc/86/13/01/1100861301.db2.gz GZDNPMGPZXDQFB-UHFFFAOYSA-N 0 0 336.254 2.932 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc(C(F)F)on1 ZINC001638454241 1100861606 /nfs/dbraw/zinc/86/16/06/1100861606.db2.gz SGEFWZDUFKSHLU-UHFFFAOYSA-N 0 0 343.311 2.929 10 5 EFBERN Cc1c(C(=O)NCc2ccc3c(N)noc3c2)cccc1[N+](=O)[O-] ZINC001638483828 1100863375 /nfs/dbraw/zinc/86/33/75/1100863375.db2.gz CXVDAMDRHUJADL-UHFFFAOYSA-N 0 0 326.312 2.557 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1(Br)CC1 ZINC001638574392 1100869919 /nfs/dbraw/zinc/86/99/19/1100869919.db2.gz TUGHTXDYQBSNKZ-UHFFFAOYSA-N 0 0 331.141 2.700 10 5 EFBERN COc1cccc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC001638611363 1100873229 /nfs/dbraw/zinc/87/32/29/1100873229.db2.gz FGQLQHQWUIDIHT-YOEHRIQHSA-N 0 0 330.315 2.971 10 5 EFBERN CC[C@@H](C)C[C@@H](CO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001638746085 1100883543 /nfs/dbraw/zinc/88/35/43/1100883543.db2.gz CMCDYWIKGOWDND-YPMHNXCESA-N 0 0 345.399 2.857 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2ccccc21 ZINC001638896306 1100895691 /nfs/dbraw/zinc/89/56/91/1100895691.db2.gz OBKQTPUCQFQULI-UHFFFAOYSA-N 0 0 325.328 2.625 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CNC(C)=O)c1 ZINC001638896150 1100895716 /nfs/dbraw/zinc/89/57/16/1100895716.db2.gz MGZIUDVUCCYLEE-UHFFFAOYSA-N 0 0 342.355 2.525 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(F)cc(F)c1 ZINC001638895686 1100895736 /nfs/dbraw/zinc/89/57/36/1100895736.db2.gz AQVYWOHUTAMJCC-UHFFFAOYSA-N 0 0 337.282 2.932 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC001638893577 1100896602 /nfs/dbraw/zinc/89/66/02/1100896602.db2.gz ZJKFTQUBHIATIY-UHFFFAOYSA-N 0 0 331.328 2.906 10 5 EFBERN COCc1cc(O)ccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001638911523 1100897965 /nfs/dbraw/zinc/89/79/65/1100897965.db2.gz NJERVJWQLOUMNP-UHFFFAOYSA-N 0 0 345.355 2.522 10 5 EFBERN CCC[C@H](C)c1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n[nH]1 ZINC001639037064 1100905737 /nfs/dbraw/zinc/90/57/37/1100905737.db2.gz FFRUGKRXTIMTIQ-LURJTMIESA-N 0 0 326.744 2.850 10 5 EFBERN COC(=O)CC1(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)CCCCC1 ZINC001639145697 1100918588 /nfs/dbraw/zinc/91/85/88/1100918588.db2.gz NLUIYYCHDRZGJZ-UHFFFAOYSA-N 0 0 349.387 2.542 10 5 EFBERN COC(=O)Cc1ccc(NCc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC001639164226 1100921553 /nfs/dbraw/zinc/92/15/53/1100921553.db2.gz GLFUZBIXCUXWFN-UHFFFAOYSA-N 0 0 330.340 2.931 10 5 EFBERN Cc1csc(C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)n1 ZINC001639184158 1100922754 /nfs/dbraw/zinc/92/27/54/1100922754.db2.gz SVNZPYZSMUWFJA-LLVKDONJSA-N 0 0 346.412 2.647 10 5 EFBERN O=C(Nc1ccc(CO)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001639183696 1100922988 /nfs/dbraw/zinc/92/29/88/1100922988.db2.gz JQCFWSZRFHCJOE-UHFFFAOYSA-N 0 0 338.323 2.525 10 5 EFBERN CCn1c(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)nc2ccccc21 ZINC001639195102 1100924070 /nfs/dbraw/zinc/92/40/70/1100924070.db2.gz MVUAYXDXHQSKRG-UHFFFAOYSA-N 0 0 339.355 2.675 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](CCO)c1ccco1 ZINC001639217730 1100926176 /nfs/dbraw/zinc/92/61/76/1100926176.db2.gz BTQQAQWGYRYSNU-GFCCVEGCSA-N 0 0 338.747 2.624 10 5 EFBERN O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001639241863 1100928387 /nfs/dbraw/zinc/92/83/87/1100928387.db2.gz YXZNEKCBWFIJCF-OAHLLOKOSA-N 0 0 343.314 2.937 10 5 EFBERN O=[N+]([O-])c1c(NC[C@H](CO)Cc2ccco2)ccc2cnccc21 ZINC001639235762 1100928415 /nfs/dbraw/zinc/92/84/15/1100928415.db2.gz NXIAYKLLYRNHOL-GFCCVEGCSA-N 0 0 327.340 2.999 10 5 EFBERN CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001639316033 1100937230 /nfs/dbraw/zinc/93/72/30/1100937230.db2.gz VXLPVLCREQBCCG-UHFFFAOYSA-N 0 0 326.715 2.788 10 5 EFBERN Cc1nccc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 ZINC001639311848 1100937644 /nfs/dbraw/zinc/93/76/44/1100937644.db2.gz CWMNOOPVUVFUBT-UHFFFAOYSA-N 0 0 330.735 2.902 10 5 EFBERN O=C(CNc1c(Cl)cncc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC001639339640 1100940030 /nfs/dbraw/zinc/94/00/30/1100940030.db2.gz SEPAWMLNLYROFY-UHFFFAOYSA-N 0 0 341.154 2.769 10 5 EFBERN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1nn(C)cc1[N+](=O)[O-] ZINC001639368742 1100942012 /nfs/dbraw/zinc/94/20/12/1100942012.db2.gz ZWZBUSJCHRZLPE-GOEBONIOSA-N 0 0 330.388 2.932 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@H]2CCSC(C)(C)C2)c1[N+](=O)[O-] ZINC001639391754 1100944325 /nfs/dbraw/zinc/94/43/25/1100944325.db2.gz ZDDBKKZBTYLPKS-VIFPVBQESA-N 0 0 326.422 2.674 10 5 EFBERN C[C@@H](C(=O)Nc1cnc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001639404293 1100945467 /nfs/dbraw/zinc/94/54/67/1100945467.db2.gz LJCOQOVJEAMSFY-MRVPVSSYSA-N 0 0 329.291 2.747 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCC2(C(N)=O)CCCC2)cc1C ZINC001639466233 1100952849 /nfs/dbraw/zinc/95/28/49/1100952849.db2.gz FIDOXHBTZUPPIQ-UHFFFAOYSA-N 0 0 349.387 2.538 10 5 EFBERN O=[N+]([O-])c1c(NCCCCC2CCCC2)ncnc1N1CCOCC1 ZINC001639536881 1100959506 /nfs/dbraw/zinc/95/95/06/1100959506.db2.gz NFLWYEJKTJDTOH-UHFFFAOYSA-N 0 0 349.435 2.994 10 5 EFBERN C[C@@H](Oc1ccc(Oc2c(Cl)cncc2[N+](=O)[O-])cc1)C(N)=O ZINC001639558754 1100961093 /nfs/dbraw/zinc/96/10/93/1100961093.db2.gz SKLITZJFPKCLFG-MRVPVSSYSA-N 0 0 337.719 2.688 10 5 EFBERN C[C@@H](CC(N)=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001639601260 1100964903 /nfs/dbraw/zinc/96/49/03/1100964903.db2.gz TWVWTCZESLPQLY-JTQLQIEISA-N 0 0 345.330 2.965 10 5 EFBERN Cc1cc(=O)[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001639610311 1100966336 /nfs/dbraw/zinc/96/63/36/1100966336.db2.gz JFYSXGFVLGASLA-UHFFFAOYSA-N 0 0 348.334 2.511 10 5 EFBERN COCCC1(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])CC1 ZINC001639614762 1100966430 /nfs/dbraw/zinc/96/64/30/1100966430.db2.gz XAFBBWDZMHEVSC-UHFFFAOYSA-N 0 0 331.372 2.802 10 5 EFBERN Cc1nc(N(Cc2ccco2)Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001639661489 1100970888 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2.589 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1N ZINC001639705858 1100976362 /nfs/dbraw/zinc/97/63/62/1100976362.db2.gz MYHACFIIABSSFM-UHFFFAOYSA-N 0 0 343.339 2.833 10 5 EFBERN C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC001639722510 1100977693 /nfs/dbraw/zinc/97/76/93/1100977693.db2.gz FOMXEHVNFRRYAE-SNVBAGLBSA-N 0 0 341.327 2.961 10 5 EFBERN O=C(Nc1cc(-c2cccs2)[nH]n1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001639744311 1100979609 /nfs/dbraw/zinc/97/96/09/1100979609.db2.gz JPLJWHNSSXHQAN-UHFFFAOYSA-N 0 0 338.736 2.675 10 5 EFBERN C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])c1ncn(C)n1 ZINC001639785149 1100983986 /nfs/dbraw/zinc/98/39/86/1100983986.db2.gz RHGONYVDTKQEJB-QMMMGPOBSA-N 0 0 332.751 2.520 10 5 EFBERN O=[N+]([O-])c1cnc(SCCSCCO)c(C(F)(F)F)c1 ZINC000840293950 1100985784 /nfs/dbraw/zinc/98/57/84/1100985784.db2.gz AZOMHMSAOCUNAA-UHFFFAOYSA-N 0 0 328.337 2.826 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCC(C)(C)O3)c2c1 ZINC001639825276 1100987192 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/nfs/dbraw/zinc/10/02/16/1101100216.db2.gz IXWQWZPJOAOBSU-UHFFFAOYSA-N 0 0 348.362 2.645 10 5 EFBERN Cc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc(C(N)=O)c1 ZINC001641089658 1101101028 /nfs/dbraw/zinc/10/10/28/1101101028.db2.gz USRLYEXVYZYEBR-UHFFFAOYSA-N 0 0 338.323 2.736 10 5 EFBERN CC(=O)c1cccc(NC(=O)COc2c(C)c(C)ncc2[N+](=O)[O-])c1 ZINC001641190110 1101112888 /nfs/dbraw/zinc/11/28/88/1101112888.db2.gz DPRMJKSXMHBSIL-UHFFFAOYSA-N 0 0 343.339 2.827 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC001641288819 1101122110 /nfs/dbraw/zinc/12/21/10/1101122110.db2.gz HVBAQQQQKPGKIT-UHFFFAOYSA-N 0 0 346.318 2.754 10 5 EFBERN O=C(NCc1c(Cl)cccc1-n1ccnc1)c1cc([N+](=O)[O-])c[nH]1 ZINC001641358601 1101128303 /nfs/dbraw/zinc/12/83/03/1101128303.db2.gz ADNVVOCGGPEDSU-UHFFFAOYSA-N 0 0 345.746 2.692 10 5 EFBERN CSCC1CCC(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001641398938 1101132838 /nfs/dbraw/zinc/13/28/38/1101132838.db2.gz IIVFOIVHKNRIOH-UHFFFAOYSA-N 0 0 332.813 2.623 10 5 EFBERN C/C(=C\C(=O)N(C[C@@H]1CCC(=O)N1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000840559993 1101136144 /nfs/dbraw/zinc/13/61/44/1101136144.db2.gz ONEKOFRWJVAMGN-VOMSXAGXSA-N 0 0 345.399 2.514 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@@H](CO)c2ccccn2)cc1[N+](=O)[O-] ZINC001641446411 1101136503 /nfs/dbraw/zinc/13/65/03/1101136503.db2.gz CDLPFWWSQHAJNR-HNNXBMFYSA-N 0 0 343.383 2.751 10 5 EFBERN CCc1ccc(C(=O)Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001641458859 1101138406 /nfs/dbraw/zinc/13/84/06/1101138406.db2.gz NIKMSHUAMOGRDW-UHFFFAOYSA-N 0 0 337.339 2.694 10 5 EFBERN Cc1ccccc1OCCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001641459120 1101138823 /nfs/dbraw/zinc/13/88/23/1101138823.db2.gz TXMZUGLJWFIKMM-UHFFFAOYSA-N 0 0 325.328 2.636 10 5 EFBERN O=[N+]([O-])c1ccc(OCCCS[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001641474664 1101139310 /nfs/dbraw/zinc/13/93/10/1101139310.db2.gz MMHALWPQGSDRSG-AWEZNQCLSA-N 0 0 345.442 2.674 10 5 EFBERN O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641513364 1101142706 /nfs/dbraw/zinc/14/27/06/1101142706.db2.gz AVPJRWHBSNCKQS-AWEZNQCLSA-N 0 0 338.722 2.851 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc3oc(CO)cc3c2)c1[N+](=O)[O-] ZINC001641525005 1101143943 /nfs/dbraw/zinc/14/39/43/1101143943.db2.gz YSRWFQWJMKTKJK-UHFFFAOYSA-N 0 0 342.311 2.522 10 5 EFBERN Nc1nccc(C(=O)Nc2cscc2Br)c1[N+](=O)[O-] ZINC001641578677 1101148666 /nfs/dbraw/zinc/14/86/66/1101148666.db2.gz UUKGYLRDTFSCNR-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN CCOC(=O)C(CC)(CC)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001641589247 1101148870 /nfs/dbraw/zinc/14/88/70/1101148870.db2.gz MNKQUDNRYMPRRH-UHFFFAOYSA-N 0 0 340.351 2.894 10 5 EFBERN CN(Cc1c(F)cccc1F)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641603784 1101149719 /nfs/dbraw/zinc/14/97/19/1101149719.db2.gz MCEBDQQILVMNSP-HNNXBMFYSA-N 0 0 336.294 2.565 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC001641636548 1101153440 /nfs/dbraw/zinc/15/34/40/1101153440.db2.gz ZKULDSDXCKFPDL-UHFFFAOYSA-N 0 0 339.351 2.522 10 5 EFBERN CCCc1n[nH]c(C(=O)NCc2cc(C)nc(Cl)c2)c1[N+](=O)[O-] ZINC001641686652 1101156750 /nfs/dbraw/zinc/15/67/50/1101156750.db2.gz FBGYOHZJHKFRGD-UHFFFAOYSA-N 0 0 337.767 2.557 10 5 EFBERN C[C@@]1(CCC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CCC(=O)N1 ZINC001641690694 1101156917 /nfs/dbraw/zinc/15/69/17/1101156917.db2.gz UOZIKZIOVGJLPX-QGZVFWFLSA-N 0 0 342.355 2.530 10 5 EFBERN CCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(C)s1 ZINC001641714801 1101158828 /nfs/dbraw/zinc/15/88/28/1101158828.db2.gz JEUPBACGFQSCLV-UHFFFAOYSA-N 0 0 348.384 2.549 10 5 EFBERN O=C(NCCn1cncc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001641777723 1101164875 /nfs/dbraw/zinc/16/48/75/1101164875.db2.gz UCVYXRWYWMVYPG-UHFFFAOYSA-N 0 0 336.351 2.888 10 5 EFBERN Cc1cc(Cl)c(C(=O)N[C@@H]2CC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC001641905056 1101174692 /nfs/dbraw/zinc/17/46/92/1101174692.db2.gz ZYYRWZRHQCNTEG-FQOARCPFSA-N 0 0 344.820 2.586 10 5 EFBERN CNc1nccc(C(=O)NCC(F)(F)c2ccccc2)c1[N+](=O)[O-] ZINC001641909386 1101175251 /nfs/dbraw/zinc/17/52/51/1101175251.db2.gz CZVPACNOZBYVMG-UHFFFAOYSA-N 0 0 336.298 2.553 10 5 EFBERN Cn1c(Sc2cc[nH]c(=O)c2[N+](=O)[O-])nnc1-c1cccs1 ZINC001642012430 1101181737 /nfs/dbraw/zinc/18/17/37/1101181737.db2.gz GDBVWFVATQNSEI-UHFFFAOYSA-N 0 0 335.370 2.704 10 5 EFBERN CN(Cc1cnn(Cc2ccccc2)c1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001642006288 1101182402 /nfs/dbraw/zinc/18/24/02/1101182402.db2.gz UALKSLHCNPVVPF-UHFFFAOYSA-N 0 0 339.355 2.577 10 5 EFBERN COc1ccccc1CN(OC)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001642033876 1101184131 /nfs/dbraw/zinc/18/41/31/1101184131.db2.gz CUPFEMQVMCSQSP-UHFFFAOYSA-N 0 0 334.303 2.946 10 5 EFBERN Nc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001642044697 1101185320 /nfs/dbraw/zinc/18/53/20/1101185320.db2.gz DQVUGWUBPHWTHR-INIZCTEOSA-N 0 0 327.340 2.820 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3ccccc3CO)c2c1 ZINC001642123273 1101190513 /nfs/dbraw/zinc/19/05/13/1101190513.db2.gz JXJUIACESLHSBM-UHFFFAOYSA-N 0 0 339.351 2.678 10 5 EFBERN CCOC(=O)C1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC001642106032 1101191034 /nfs/dbraw/zinc/19/10/34/1101191034.db2.gz UGPDKQITKHLSGE-UHFFFAOYSA-N 0 0 346.387 2.827 10 5 EFBERN O=c1[nH]ccc(NCCNc2ccc3ccccc3n2)c1[N+](=O)[O-] ZINC001642175869 1101195730 /nfs/dbraw/zinc/19/57/30/1101195730.db2.gz RGMJKFHLPFHAQP-UHFFFAOYSA-N 0 0 325.328 2.768 10 5 EFBERN COc1ccc(Br)cc1OC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001642198174 1101197543 /nfs/dbraw/zinc/19/75/43/1101197543.db2.gz ZQKHKELDISUDMZ-UHFFFAOYSA-N 0 0 341.117 2.913 10 5 EFBERN Cc1ccnc(N2CCC[C@@H](NC(=O)c3ccccc3)C2)c1[N+](=O)[O-] ZINC001642312747 1101205128 /nfs/dbraw/zinc/20/51/28/1101205128.db2.gz CGHZXMBZJCFMLL-OAHLLOKOSA-N 0 0 340.383 2.697 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCCC(=O)NC2CC2)cc1C ZINC001642355969 1101208621 /nfs/dbraw/zinc/20/86/21/1101208621.db2.gz IKJCULWXPSCCEP-UHFFFAOYSA-N 0 0 349.387 2.551 10 5 EFBERN C[S@@](=N)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001642493684 1101217122 /nfs/dbraw/zinc/21/71/22/1101217122.db2.gz XAKHBOJKGWKGHS-XMMPIXPASA-N 0 0 349.368 2.648 10 5 EFBERN C[C@@H](CNc1c([N+](=O)[O-])cnn1C)c1nc(-c2ccccc2)no1 ZINC001642518916 1101219297 /nfs/dbraw/zinc/21/92/97/1101219297.db2.gz HVKHMUUXKQYROW-JTQLQIEISA-N 0 0 328.332 2.594 10 5 EFBERN O=c1cc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cc[nH]1 ZINC001642525170 1101219764 /nfs/dbraw/zinc/21/97/64/1101219764.db2.gz DZBGCIYXGZKYHS-UHFFFAOYSA-N 0 0 330.731 2.931 10 5 EFBERN Cc1cccc(CONC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001642537054 1101221201 /nfs/dbraw/zinc/22/12/01/1101221201.db2.gz RIOFFBOGPACCTK-UHFFFAOYSA-N 0 0 327.296 2.906 10 5 EFBERN O=C(Nc1cnn2c1CCCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001642628922 1101229085 /nfs/dbraw/zinc/22/90/85/1101229085.db2.gz YJIWXQSDVSCUAY-UHFFFAOYSA-N 0 0 325.328 2.861 10 5 EFBERN CCCN1CCN(Cc2cn(C)nc2[N+](=O)[O-])c2ccc(F)cc21 ZINC001642710654 1101234689 /nfs/dbraw/zinc/23/46/89/1101234689.db2.gz QHPCXSKCQADUMY-UHFFFAOYSA-N 0 0 333.367 2.704 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3nccnc3Cl)c2c1 ZINC001642724595 1101236607 /nfs/dbraw/zinc/23/66/07/1101236607.db2.gz BBVCKQIXVXZSET-UHFFFAOYSA-N 0 0 345.746 2.629 10 5 EFBERN NC(=O)[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001642800579 1101243264 /nfs/dbraw/zinc/24/32/64/1101243264.db2.gz TWAFMCDWVHLUQG-UONOGXRCSA-N 0 0 345.786 2.954 10 5 EFBERN Cc1cc(N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC001642800175 1101243456 /nfs/dbraw/zinc/24/34/56/1101243456.db2.gz KLFGPOPLXNYOCY-JKSUJKDBSA-N 0 0 325.368 2.609 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1nccc(C(F)(F)F)n1 ZINC001642799730 1101244140 /nfs/dbraw/zinc/24/41/40/1101244140.db2.gz AJNZXVHPUSEFPI-UHFFFAOYSA-N 0 0 343.221 2.924 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H](CO)c1cccnc1 ZINC001642823905 1101244959 /nfs/dbraw/zinc/24/49/59/1101244959.db2.gz XJPZOTOQWYNEHM-LBPRGKRZSA-N 0 0 338.161 2.898 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN[C@@H](c2ccccc2)C1 ZINC001642844062 1101248293 /nfs/dbraw/zinc/24/82/93/1101248293.db2.gz ZPHNBKNWAANUQX-OAHLLOKOSA-N 0 0 329.331 2.521 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H](Nc2ncccn2)C1 ZINC001642853046 1101249159 /nfs/dbraw/zinc/24/91/59/1101249159.db2.gz KUTIYIKXXPTWKV-GFCCVEGCSA-N 0 0 336.355 2.624 10 5 EFBERN CCN(OC)C(=O)CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001642848450 1101249549 /nfs/dbraw/zinc/24/95/49/1101249549.db2.gz MSRYWTANVSORHT-UHFFFAOYSA-N 0 0 335.282 2.744 10 5 EFBERN O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001642885242 1101252993 /nfs/dbraw/zinc/25/29/93/1101252993.db2.gz DCBFFWLMSKKYAK-OAHLLOKOSA-N 0 0 343.314 2.937 10 5 EFBERN Cc1c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)[nH]nc1C(F)(F)F ZINC001642929799 1101257484 /nfs/dbraw/zinc/25/74/84/1101257484.db2.gz SNDGXGKONXCBJH-UHFFFAOYSA-N 0 0 342.277 2.884 10 5 EFBERN O=c1[nH]nc(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1C1CC1 ZINC001643036637 1101265237 /nfs/dbraw/zinc/26/52/37/1101265237.db2.gz UTEDCAVOXCBITB-UHFFFAOYSA-N 0 0 343.265 2.858 10 5 EFBERN CCC(C)(C)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC001643040300 1101266180 /nfs/dbraw/zinc/26/61/80/1101266180.db2.gz OJDYHCIOKCIGDI-UHFFFAOYSA-N 0 0 329.422 2.741 10 5 EFBERN CNc1ccc(C(=O)N[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC001643072832 1101268451 /nfs/dbraw/zinc/26/84/51/1101268451.db2.gz OLBXTHXTXWOHQL-HNNXBMFYSA-N 0 0 327.340 2.638 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H]2CC3(CO2)CCOCC3)c([N+](=O)[O-])c1 ZINC001643072026 1101268495 /nfs/dbraw/zinc/26/84/95/1101268495.db2.gz ZFJCGKOUOYSAIH-GFCCVEGCSA-N 0 0 337.332 2.501 10 5 EFBERN CC(C)c1n[nH]c(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC001643081787 1101269624 /nfs/dbraw/zinc/26/96/24/1101269624.db2.gz FYLRNLAUWSMELE-UHFFFAOYSA-N 0 0 330.392 2.690 10 5 EFBERN CCn1nc(C)c(CN(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1C ZINC001643126624 1101273461 /nfs/dbraw/zinc/27/34/61/1101273461.db2.gz NSRGERKPHVWDFL-UHFFFAOYSA-N 0 0 348.407 2.547 10 5 EFBERN Cc1ccnc(NCc2csc(-c3ccn(C)n3)n2)c1[N+](=O)[O-] ZINC001643180252 1101277246 /nfs/dbraw/zinc/27/72/46/1101277246.db2.gz PPFKFEHAGSPYKQ-UHFFFAOYSA-N 0 0 330.373 2.767 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](O)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC001643190383 1101277917 /nfs/dbraw/zinc/27/79/17/1101277917.db2.gz KJMZWFUIHQAMMM-GFCCVEGCSA-N 0 0 335.291 2.658 10 5 EFBERN Cc1cc(C(=O)NCc2ccc3c(N)noc3c2)ccc1[N+](=O)[O-] ZINC001643207041 1101279959 /nfs/dbraw/zinc/27/99/59/1101279959.db2.gz VJDBZTWWKWHAMX-UHFFFAOYSA-N 0 0 326.312 2.557 10 5 EFBERN CC(C)CN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001643214238 1101280696 /nfs/dbraw/zinc/28/06/96/1101280696.db2.gz VNOAUXVBEUXANW-UHFFFAOYSA-N 0 0 328.372 2.751 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3CC[C@@H](c4cnccn4)C3)sc2c1 ZINC001643226300 1101282251 /nfs/dbraw/zinc/28/22/51/1101282251.db2.gz VJDJMNVIJGKZOE-SNVBAGLBSA-N 0 0 327.369 2.988 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCC1(NC(=O)OC(C)(C)C)CC1 ZINC001643243706 1101283903 /nfs/dbraw/zinc/28/39/03/1101283903.db2.gz LLXRNKOWGBPIRZ-UHFFFAOYSA-N 0 0 339.396 2.589 10 5 EFBERN Cc1cc(N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])s1 ZINC001643251102 1101283947 /nfs/dbraw/zinc/28/39/47/1101283947.db2.gz IDWDFGHACRXEPB-VIFPVBQESA-N 0 0 341.414 2.785 10 5 EFBERN CCC[C@H](O)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001643259804 1101285057 /nfs/dbraw/zinc/28/50/57/1101285057.db2.gz JNOZHWRTCGTIDC-JTQLQIEISA-N 0 0 330.768 2.998 10 5 EFBERN Cc1cc(=O)[nH]c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001643364628 1101292615 /nfs/dbraw/zinc/29/26/15/1101292615.db2.gz HYRWGIYFSXSUMU-UHFFFAOYSA-N 0 0 339.311 2.646 10 5 EFBERN C[C@H](C(=O)N1Cc2cncnc2[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001643408203 1101297069 /nfs/dbraw/zinc/29/70/69/1101297069.db2.gz NAZRMPAEUAXWMJ-NEPJUHHUSA-N 0 0 326.356 2.634 10 5 EFBERN CCOC(=O)c1ncc(COc2ccc(C=O)cc2[N+](=O)[O-])s1 ZINC001643419845 1101297574 /nfs/dbraw/zinc/29/75/74/1101297574.db2.gz ACUHSKFKBQYLDX-UHFFFAOYSA-N 0 0 336.325 2.620 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001643472675 1101302213 /nfs/dbraw/zinc/30/22/13/1101302213.db2.gz KNLXCGLBUUGRRV-LRDDRELGSA-N 0 0 329.331 2.932 10 5 EFBERN O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC001643492441 1101302773 /nfs/dbraw/zinc/30/27/73/1101302773.db2.gz WJEVCMJTIRWYSY-JTQLQIEISA-N 0 0 330.678 2.708 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)c1[N+](=O)[O-] ZINC001643473610 1101302961 /nfs/dbraw/zinc/30/29/61/1101302961.db2.gz QZJPCNAOQFEONO-YPMHNXCESA-N 0 0 332.335 2.636 10 5 EFBERN CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC001643499776 1101304956 /nfs/dbraw/zinc/30/49/56/1101304956.db2.gz CJYABJHFHQZMEM-MRXNPFEDSA-N 0 0 332.331 2.930 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H](C)[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001651318139 1101308591 /nfs/dbraw/zinc/30/85/91/1101308591.db2.gz MWUWPAMBIXXUFA-XVFOLUAISA-N 0 0 348.277 2.505 10 5 EFBERN CCN(CC)S(=O)(=O)c1ccc(NCC(C)(C)F)c([N+](=O)[O-])c1 ZINC001651308075 1101309050 /nfs/dbraw/zinc/30/90/50/1101309050.db2.gz VLLNBCPUAJCGQA-UHFFFAOYSA-N 0 0 347.412 2.785 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)CC(C)(C)C2)cc1C ZINC001651333998 1101311474 /nfs/dbraw/zinc/31/14/74/1101311474.db2.gz ONEWWQPRGPATGY-GFCCVEGCSA-N 0 0 336.388 2.677 10 5 EFBERN CC(C)c1n[nH]c(CC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)n1 ZINC001651348411 1101313383 /nfs/dbraw/zinc/31/33/83/1101313383.db2.gz XFUVPJPGVHGCOJ-UHFFFAOYSA-N 0 0 348.382 2.830 10 5 EFBERN CC1=Nc2ccccc2C12CCN(c1nn(C)cc1[N+](=O)[O-])CC2 ZINC001651347548 1101313575 /nfs/dbraw/zinc/31/35/75/1101313575.db2.gz CEQIUJARICKLEM-UHFFFAOYSA-N 0 0 325.372 2.973 10 5 EFBERN CCOC(=O)c1cc(CNc2c(F)cc([N+](=O)[O-])cc2F)on1 ZINC001651345238 1101314877 /nfs/dbraw/zinc/31/48/77/1101314877.db2.gz HXUUNCIBCQJPKJ-UHFFFAOYSA-N 0 0 327.243 2.650 10 5 EFBERN COc1ccccc1[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001651356061 1101316641 /nfs/dbraw/zinc/31/66/41/1101316641.db2.gz VFZVKKIATWKTCL-LBPRGKRZSA-N 0 0 343.387 2.750 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccoc2)c2ccncc21 ZINC001651370385 1101317832 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EFBERN Cc1cc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC001651939969 1101407173 /nfs/dbraw/zinc/40/71/73/1101407173.db2.gz YSUOMSHPFVZLMK-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN CCCn1cc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)nn1 ZINC000784938019 1101407485 /nfs/dbraw/zinc/40/74/85/1101407485.db2.gz NJIZOTVDPLVVQU-UHFFFAOYSA-N 0 0 336.373 2.545 10 5 EFBERN Cn1cc([N+](=O)[O-])c(Oc2cccc(C=O)c2Br)n1 ZINC001651930934 1101408065 /nfs/dbraw/zinc/40/80/65/1101408065.db2.gz USUBLRHCMWMOQS-UHFFFAOYSA-N 0 0 326.106 2.696 10 5 EFBERN Cc1nc(NCCNc2ncnc3sccc32)ccc1[N+](=O)[O-] ZINC001651991718 1101414610 /nfs/dbraw/zinc/41/46/10/1101414610.db2.gz SPKKVHVNHWCPTE-UHFFFAOYSA-N 0 0 330.373 2.827 10 5 EFBERN C[C@H](C(=O)OCCSc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000784940077 1101419120 /nfs/dbraw/zinc/41/91/20/1101419120.db2.gz WVOYKTDTIYPFQA-NSHDSACASA-N 0 0 335.385 2.767 10 5 EFBERN O=[N+]([O-])c1c(N[C@H](CO)c2ccc(F)cc2F)nc2ccccn21 ZINC001652068210 1101428118 /nfs/dbraw/zinc/42/81/18/1101428118.db2.gz 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10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000127115258 205085993 /nfs/dbraw/zinc/08/59/93/205085993.db2.gz JWRZCQSWEAPTPZ-CYBMUJFWSA-N 0 0 330.388 2.718 10 5 EFBERN Cc1c(CC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000127917923 205123094 /nfs/dbraw/zinc/12/30/94/205123094.db2.gz IYDRQDKCFGNGOY-LBPRGKRZSA-N 0 0 336.388 2.634 10 5 EFBERN Cc1ccc([C@@H]2CCCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000127931352 205124678 /nfs/dbraw/zinc/12/46/78/205124678.db2.gz QBMQNGRUQNPRNP-AWEZNQCLSA-N 0 0 332.360 2.837 10 5 EFBERN COC(=O)[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000446337108 284352270 /nfs/dbraw/zinc/35/22/70/284352270.db2.gz NRNCJPRJSFHNQS-KOLCDFICSA-N 0 0 340.763 2.580 10 5 EFBERN CC[C@H](NC(=O)NCC(C)(C)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000129617441 205202722 /nfs/dbraw/zinc/20/27/22/205202722.db2.gz DURCPZYZYKXBCR-ZDUSSCGKSA-N 0 0 337.376 2.544 10 5 EFBERN C[C@@H]1COC[C@@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130463826 205240484 /nfs/dbraw/zinc/24/04/84/205240484.db2.gz JNEBHYPJMRIVJC-GHMZBOCLSA-N 0 0 342.779 2.653 10 5 EFBERN C[C@@H](SC1CCOCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000131333122 205283783 /nfs/dbraw/zinc/28/37/83/205283783.db2.gz MKZQEKPWZLKOSL-SECBINFHSA-N 0 0 328.365 2.973 10 5 EFBERN CCN(CCc1nccs1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000131220566 205279387 /nfs/dbraw/zinc/27/93/87/205279387.db2.gz NBFQERBNOLRLFA-UHFFFAOYSA-N 0 0 335.385 2.521 10 5 EFBERN Cc1c(CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000133237854 205360891 /nfs/dbraw/zinc/36/08/91/205360891.db2.gz FLTPQRNHQUCERA-QAPCUYQASA-N 0 0 332.400 2.599 10 5 EFBERN Cc1c(CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000133238071 205360950 /nfs/dbraw/zinc/36/09/50/205360950.db2.gz FLTPQRNHQUCERA-MAUKXSAKSA-N 0 0 332.400 2.599 10 5 EFBERN CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000133282948 205362716 /nfs/dbraw/zinc/36/27/16/205362716.db2.gz UZALYNVBEVXIKY-LBPRGKRZSA-N 0 0 342.346 2.788 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421571618 246019895 /nfs/dbraw/zinc/01/98/95/246019895.db2.gz XWBFUCDXTBXOEF-OCCSQVGLSA-N 0 0 334.372 2.673 10 5 EFBERN Cc1nc([C@](C)(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C2CC2)no1 ZINC000421574029 246020892 /nfs/dbraw/zinc/02/08/92/246020892.db2.gz KEMHULPTEASYDS-QGZVFWFLSA-N 0 0 344.371 2.958 10 5 EFBERN COc1c(C(=O)NC[C@@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000421584112 246024665 /nfs/dbraw/zinc/02/46/65/246024665.db2.gz ASVNSGFUHRDSDZ-NSHDSACASA-N 0 0 336.413 2.867 10 5 EFBERN CN(CC(=O)NC[C@H]1CC12CCSCC2)c1ccccc1[N+](=O)[O-] ZINC000421587136 246025725 /nfs/dbraw/zinc/02/57/25/246025725.db2.gz HFOHRBIKNTUUGK-CYBMUJFWSA-N 0 0 349.456 2.681 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000421670116 246056873 /nfs/dbraw/zinc/05/68/73/246056873.db2.gz MLMMSUITEBUXBI-GHMZBOCLSA-N 0 0 344.314 2.884 10 5 EFBERN CC[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000421671102 246058685 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EFBERN COc1ccccc1N1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000156590975 206087510 /nfs/dbraw/zinc/08/75/10/206087510.db2.gz DJUBHPNLOIHEAI-ZDUSSCGKSA-N 0 0 341.367 2.612 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)C(C)C)CC1 ZINC000156766808 206098196 /nfs/dbraw/zinc/09/81/96/206098196.db2.gz MEYLKVQKYFSIHH-UHFFFAOYSA-N 0 0 335.404 2.800 10 5 EFBERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156953358 206107849 /nfs/dbraw/zinc/10/78/49/206107849.db2.gz VAXSPPXVWNMWHR-BZNIZROVSA-N 0 0 329.356 2.764 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](O)CC23CCC3)c1 ZINC000422021326 246222302 /nfs/dbraw/zinc/22/23/02/246222302.db2.gz MMDJXJDDJLOPMO-AWEZNQCLSA-N 0 0 348.399 2.578 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](O)CC23CCC3)c1 ZINC000422021327 246222524 /nfs/dbraw/zinc/22/25/24/246222524.db2.gz MMDJXJDDJLOPMO-CQSZACIVSA-N 0 0 348.399 2.578 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H](O)CC12CCC2 ZINC000422026453 246226006 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2.795 10 5 EFBERN O=C([C@@H]1CCC[C@@H](F)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000424543973 284480694 /nfs/dbraw/zinc/48/06/94/284480694.db2.gz MZLKCEISBWXUDG-ZIAGYGMSSA-N 0 0 335.379 2.772 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000159533837 206251683 /nfs/dbraw/zinc/25/16/83/206251683.db2.gz ZXAOHGBAUCHRLB-ZJUUUORDSA-N 0 0 340.763 2.710 10 5 EFBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])s1)C1CCC(F)(F)CC1 ZINC000424886067 246894479 /nfs/dbraw/zinc/89/44/79/246894479.db2.gz JGKRYTGKFQBJDC-UHFFFAOYSA-N 0 0 332.328 2.781 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@]2(F)c2ccccc2)n1 ZINC000425270452 247023254 /nfs/dbraw/zinc/02/32/54/247023254.db2.gz GIPVRJVHSAUXRU-CZUORRHYSA-N 0 0 331.303 2.826 10 5 EFBERN COC(=O)c1cc(C)nc(N2Cc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC000413440589 284526526 /nfs/dbraw/zinc/52/65/26/284526526.db2.gz SCFCTRLQESFBQG-UHFFFAOYSA-N 0 0 331.303 2.744 10 5 EFBERN COC(=O)c1cnc(N[C@@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425277157 247025945 /nfs/dbraw/zinc/02/59/45/247025945.db2.gz XBXIXZYCWNZFBW-CJNGLKHVSA-N 0 0 331.303 2.826 10 5 EFBERN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000425328490 247042758 /nfs/dbraw/zinc/04/27/58/247042758.db2.gz OVKSXJYRQHOQDS-ZDUSSCGKSA-N 0 0 334.351 2.796 10 5 EFBERN CCOc1ccc(C(=O)N(C)c2cc(OC)ccn2)cc1[N+](=O)[O-] ZINC000425605842 247143372 /nfs/dbraw/zinc/14/33/72/247143372.db2.gz IIVWROFNWYYSLW-UHFFFAOYSA-N 0 0 331.328 2.674 10 5 EFBERN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000426763228 247295722 /nfs/dbraw/zinc/29/57/22/247295722.db2.gz RGUXFYVSMFZWJT-HNNXBMFYSA-N 0 0 334.303 2.658 10 5 EFBERN C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1(F)F ZINC000426776755 247296578 /nfs/dbraw/zinc/29/65/78/247296578.db2.gz HMKZWNPQUWTOQJ-QMMMGPOBSA-N 0 0 334.269 2.919 10 5 EFBERN COC(=O)/C=C\c1ccc(S[C@@H](C)CC(=O)OC)c([N+](=O)[O-])c1 ZINC000265245313 247333939 /nfs/dbraw/zinc/33/39/39/247333939.db2.gz VGVIRPOGSBWVBB-BXKUYDPTSA-N 0 0 339.369 2.825 10 5 EFBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc2[nH]ccc2c1 ZINC000427316307 247337544 /nfs/dbraw/zinc/33/75/44/247337544.db2.gz QYWNAJAQXREUEP-UHFFFAOYSA-N 0 0 327.344 2.959 10 5 EFBERN COC(=O)c1ncccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000427323009 247337690 /nfs/dbraw/zinc/33/76/90/247337690.db2.gz VUYGVGLBJFHQBX-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2c(C)oc3ccccc32)n1 ZINC000427325699 247338250 /nfs/dbraw/zinc/33/82/50/247338250.db2.gz YHNYANIYDYOLPV-UHFFFAOYSA-N 0 0 342.355 2.838 10 5 EFBERN COC(=O)c1ncccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000427350261 247341124 /nfs/dbraw/zinc/34/11/24/247341124.db2.gz QQPWHLPFKWWIOS-UHFFFAOYSA-N 0 0 341.279 2.775 10 5 EFBERN CC(C)[C@](C)(CO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000427366115 247343450 /nfs/dbraw/zinc/34/34/50/247343450.db2.gz LRVJSLDQRRVVOK-NHYWBVRUSA-N 0 0 326.418 2.599 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc2cc[nH]c2n1 ZINC000427382095 247344249 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EFBERN Cc1cnc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(O)c1 ZINC000427621437 247371998 /nfs/dbraw/zinc/37/19/98/247371998.db2.gz CLGDGJRVLAHHSY-UHFFFAOYSA-N 0 0 327.340 2.809 10 5 EFBERN COc1ccc(OCCN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000427982878 247418396 /nfs/dbraw/zinc/41/83/96/247418396.db2.gz RZLDQPASXOAWKG-UHFFFAOYSA-N 0 0 342.355 2.995 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1[N+](=O)[O-] ZINC000428042132 247428980 /nfs/dbraw/zinc/42/89/80/247428980.db2.gz TXIWCGATMQIOOT-UHFFFAOYSA-N 0 0 332.295 2.538 10 5 EFBERN O=C(N[C@@H]1CC12CCCC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000428951855 247554057 /nfs/dbraw/zinc/55/40/57/247554057.db2.gz HEXHTWWGKLXSLG-MRXNPFEDSA-N 0 0 344.415 2.759 10 5 EFBERN CC(C)C(=O)NC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265549477 247593859 /nfs/dbraw/zinc/59/38/59/247593859.db2.gz QEXIKXATLJVRBQ-NSHDSACASA-N 0 0 340.811 2.632 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CC12CCCC2 ZINC000429965379 247712008 /nfs/dbraw/zinc/71/20/08/247712008.db2.gz CEOGXNXRQVVAOE-GFCCVEGCSA-N 0 0 337.763 2.636 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000302195965 284572322 /nfs/dbraw/zinc/57/23/22/284572322.db2.gz SNYJILCBMJPWLL-DYVFJYSZSA-N 0 0 334.372 2.513 10 5 EFBERN Cc1cc(N2[C@@H]3CC[C@H]2CC(O)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160813257 206313794 /nfs/dbraw/zinc/31/37/94/206313794.db2.gz UYFNRTGSARVNIN-XYPWUTKMSA-N 0 0 340.383 2.852 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH]n1 ZINC000161516196 206352996 /nfs/dbraw/zinc/35/29/96/206352996.db2.gz LUURTNPEJHJUPT-SNVBAGLBSA-N 0 0 343.387 2.562 10 5 EFBERN CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000161616618 206360190 /nfs/dbraw/zinc/36/01/90/206360190.db2.gz CKOMJFUCUPJIMD-CQSZACIVSA-N 0 0 336.388 2.764 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccs2)C1 ZINC000161691954 206364847 /nfs/dbraw/zinc/36/48/47/206364847.db2.gz HXSDFBQDKCKMJA-AWEZNQCLSA-N 0 0 348.380 2.635 10 5 EFBERN C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000161749886 206368734 /nfs/dbraw/zinc/36/87/34/206368734.db2.gz MFLQFANQQXUBPI-JSGCOSHPSA-N 0 0 347.375 2.567 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000161756563 206370429 /nfs/dbraw/zinc/37/04/29/206370429.db2.gz BVZCXWFHLAZNKH-GFCCVEGCSA-N 0 0 345.403 2.566 10 5 EFBERN C[C@H]1COCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000432973374 248006267 /nfs/dbraw/zinc/00/62/67/248006267.db2.gz OVYYVVZGEFYTJP-GWCFXTLKSA-N 0 0 341.795 2.515 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)c2ccncc21 ZINC000265993387 248007606 /nfs/dbraw/zinc/00/76/06/248007606.db2.gz JDHFTGRECPKWBZ-ZDUSSCGKSA-N 0 0 327.262 2.647 10 5 EFBERN CC(=O)c1ccc(N2CC[C@@H](Oc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000301671256 206481349 /nfs/dbraw/zinc/48/13/49/206481349.db2.gz OIQKPHHYENUVQD-OAHLLOKOSA-N 0 0 327.340 2.850 10 5 EFBERN CC[C@@H](CO)NC(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000266160543 248138682 /nfs/dbraw/zinc/13/86/82/248138682.db2.gz WONMLZKSEHOLAE-ZDUSSCGKSA-N 0 0 349.412 2.769 10 5 EFBERN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n(C2CCOCC2)n1 ZINC000434329126 248142177 /nfs/dbraw/zinc/14/21/77/248142177.db2.gz XEHFXPGDLPJZEC-UHFFFAOYSA-N 0 0 344.371 2.632 10 5 EFBERN COc1ccc([C@H](C)CCNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000266189586 248159530 /nfs/dbraw/zinc/15/95/30/248159530.db2.gz BFDTTZOMIXEYTL-LLVKDONJSA-N 0 0 344.371 2.703 10 5 EFBERN O=C(NC[C@H]1CCC[C@@H]1O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266282688 248221250 /nfs/dbraw/zinc/22/12/50/248221250.db2.gz AEQZQNHWSCEOGN-RISCZKNCSA-N 0 0 347.396 2.609 10 5 EFBERN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000435273391 248223258 /nfs/dbraw/zinc/22/32/58/248223258.db2.gz ZEYIZUZRQBVLRL-GFCCVEGCSA-N 0 0 343.314 2.590 10 5 EFBERN O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc([N+](=O)[O-])s1 ZINC000435285810 248223412 /nfs/dbraw/zinc/22/34/12/248223412.db2.gz UYEOOOJESFWRMK-JTQLQIEISA-N 0 0 331.353 2.512 10 5 EFBERN Cc1cc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)ccc1[N+](=O)[O-] ZINC000435285927 248223487 /nfs/dbraw/zinc/22/34/87/248223487.db2.gz AZFAMNJJHIRAEU-CQSZACIVSA-N 0 0 339.351 2.759 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000435297863 248224307 /nfs/dbraw/zinc/22/43/07/248224307.db2.gz LJQJCOKRYGFYGK-CYBMUJFWSA-N 0 0 339.351 2.759 10 5 EFBERN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1csc([N+](=O)[O-])c1 ZINC000435295099 248224479 /nfs/dbraw/zinc/22/44/79/248224479.db2.gz BICBCAZHZBFOPP-SNVBAGLBSA-N 0 0 331.353 2.512 10 5 EFBERN CC(C)Oc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000435516382 248247573 /nfs/dbraw/zinc/24/75/73/248247573.db2.gz STKRMUAXBLBJDJ-UHFFFAOYSA-N 0 0 329.356 2.750 10 5 EFBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCCO1 ZINC000155756717 284606460 /nfs/dbraw/zinc/60/64/60/284606460.db2.gz WBJKEBDCOUWILF-UHFFFAOYSA-N 0 0 335.541 2.788 10 5 EFBERN O=C(c1cccc2c1CC(=O)CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361448401 296255532 /nfs/dbraw/zinc/25/55/32/296255532.db2.gz ZVCOYOLFEKQFHB-UHFFFAOYSA-N 0 0 336.347 2.856 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC2(CCC2)C1 ZINC000376639355 284618136 /nfs/dbraw/zinc/61/81/36/284618136.db2.gz ZZYLLYNBNGPIHC-UHFFFAOYSA-N 0 0 340.177 2.769 10 5 EFBERN COC(=O)c1ccccc1C(=O)c1ccc(NCCF)c([N+](=O)[O-])c1 ZINC000435592328 249381314 /nfs/dbraw/zinc/38/13/14/249381314.db2.gz HBCAHOLNVYSPEP-UHFFFAOYSA-N 0 0 346.314 2.994 10 5 EFBERN CCN(c1cccnc1C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000435624830 249390658 /nfs/dbraw/zinc/39/06/58/249390658.db2.gz DMLGGZRFPFJHHV-UHFFFAOYSA-N 0 0 335.385 2.822 10 5 EFBERN CC(C)c1nn(C)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000435937231 249442497 /nfs/dbraw/zinc/44/24/97/249442497.db2.gz RAVHOJCKRMCZCL-UHFFFAOYSA-N 0 0 332.360 2.859 10 5 EFBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000437376454 249672104 /nfs/dbraw/zinc/67/21/04/249672104.db2.gz WKSYDDOPUGGLBJ-OAHLLOKOSA-N 0 0 336.294 2.991 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437388853 249673800 /nfs/dbraw/zinc/67/38/00/249673800.db2.gz CLCFUKSOCCZJNP-UMSPYCQHSA-N 0 0 334.763 2.658 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1ccn(CC(F)F)[nH]1 ZINC000439154600 249798603 /nfs/dbraw/zinc/79/86/03/249798603.db2.gz SHCXWEDMZCGPOJ-UHFFFAOYSA-N 0 0 344.705 2.692 10 5 EFBERN CC[C@H](NC(=O)CCC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090467665 217931742 /nfs/dbraw/zinc/93/17/42/217931742.db2.gz JGYSUABDOJLHLH-HNNXBMFYSA-N 0 0 335.404 2.811 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)C(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000440974440 249982920 /nfs/dbraw/zinc/98/29/20/249982920.db2.gz BQHHNYVVAFCWLA-ZDUSSCGKSA-N 0 0 326.352 2.833 10 5 EFBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000441422796 250029250 /nfs/dbraw/zinc/02/92/50/250029250.db2.gz DRWJNZWSRZWILA-UHFFFAOYSA-N 0 0 326.715 2.788 10 5 EFBERN CCCN(C(=O)c1cccc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000441454617 250034283 /nfs/dbraw/zinc/03/42/83/250034283.db2.gz UBRYZIJQBLNFNF-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000441896357 250058439 /nfs/dbraw/zinc/05/84/39/250058439.db2.gz KYUIWDQDWXMHIF-SNVBAGLBSA-N 0 0 347.375 2.836 10 5 EFBERN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442247886 250073999 /nfs/dbraw/zinc/07/39/99/250073999.db2.gz FSPAZYYMVSNHTK-UHFFFAOYSA-N 0 0 331.353 2.901 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000442781465 250117554 /nfs/dbraw/zinc/11/75/54/250117554.db2.gz IXUWDVACZVGFIW-NEPJUHHUSA-N 0 0 342.417 2.851 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000442781471 250117570 /nfs/dbraw/zinc/11/75/70/250117570.db2.gz IXUWDVACZVGFIW-VXGBXAGGSA-N 0 0 342.417 2.851 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCCC1(O)CC1 ZINC000443136221 250164298 /nfs/dbraw/zinc/16/42/98/250164298.db2.gz BGHQHWZXCQNCCS-UHFFFAOYSA-N 0 0 338.385 2.541 10 5 EFBERN CN(Cc1cccs1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443682087 250218126 /nfs/dbraw/zinc/21/81/26/250218126.db2.gz LIRZOTBZFOUUPE-UHFFFAOYSA-N 0 0 326.399 2.618 10 5 EFBERN Nc1c(F)c(NCCCNC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000443523061 250204943 /nfs/dbraw/zinc/20/49/43/250204943.db2.gz OMOPABNAHQKZHG-UHFFFAOYSA-N 0 0 332.335 2.548 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000443761649 250224075 /nfs/dbraw/zinc/22/40/75/250224075.db2.gz SRKDGQVFTCZOKF-WBVHZDCISA-N 0 0 346.408 2.645 10 5 EFBERN O=C(Nc1cnccc1CO)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444281474 250281263 /nfs/dbraw/zinc/28/12/63/250281263.db2.gz ACFJPCLNIAIKHD-UHFFFAOYSA-N 0 0 345.358 2.821 10 5 EFBERN COc1cccc(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000444342515 250289403 /nfs/dbraw/zinc/28/94/03/250289403.db2.gz XMROJKGNALSQAR-JSGCOSHPSA-N 0 0 336.388 2.665 10 5 EFBERN COc1cccc(C(=O)NCCCNc2ccccc2F)c1[N+](=O)[O-] ZINC000444369109 250294150 /nfs/dbraw/zinc/29/41/50/250294150.db2.gz PWUOSHSAYSAEDG-UHFFFAOYSA-N 0 0 347.346 2.975 10 5 EFBERN COc1cccc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000444381846 250294935 /nfs/dbraw/zinc/29/49/35/250294935.db2.gz LJIYHOXPDCYQRP-QGZVFWFLSA-N 0 0 336.388 2.665 10 5 EFBERN Cc1[nH]nc(C(C)C)c1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444634905 250319386 /nfs/dbraw/zinc/31/93/86/250319386.db2.gz IMJJVIVZRBEASC-UHFFFAOYSA-N 0 0 342.359 2.556 10 5 EFBERN Cc1cnc(CCN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444665983 250324819 /nfs/dbraw/zinc/32/48/19/250324819.db2.gz QKIFGRPNSZBAHF-UHFFFAOYSA-N 0 0 331.401 2.911 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](CO)c1ccsc1 ZINC000444896748 250363239 /nfs/dbraw/zinc/36/32/39/250363239.db2.gz CZFIAWHFFIZAHD-LBPRGKRZSA-N 0 0 337.357 2.520 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1Br ZINC000445252881 250399888 /nfs/dbraw/zinc/39/98/88/250399888.db2.gz VGDARQPUTAPCGR-UHFFFAOYSA-N 0 0 338.117 2.710 10 5 EFBERN CC[C@H](O)CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445010004 250373288 /nfs/dbraw/zinc/37/32/88/250373288.db2.gz NRLIIYYUKJKHKC-ZDUSSCGKSA-N 0 0 338.407 2.962 10 5 EFBERN CN(Cc1cc[nH]n1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445020318 250374923 /nfs/dbraw/zinc/37/49/23/250374923.db2.gz NOPUBUJOTAZXQI-UHFFFAOYSA-N 0 0 332.363 2.677 10 5 EFBERN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@@H](C)O1 ZINC000446076874 250462720 /nfs/dbraw/zinc/46/27/20/250462720.db2.gz ICPHNFYNQRTCCF-OUAUKWLOSA-N 0 0 341.795 2.684 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1cnc(C2CC2)nc1 ZINC000446483067 250501346 /nfs/dbraw/zinc/50/13/46/250501346.db2.gz ZQMRLYDEZSNACJ-UHFFFAOYSA-N 0 0 341.371 2.935 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cccnc3OCC(F)F)nc2c1 ZINC000447678377 250592943 /nfs/dbraw/zinc/59/29/43/250592943.db2.gz ZGTHKSCGGOGEMF-UHFFFAOYSA-N 0 0 349.297 2.544 10 5 EFBERN O=C(NCCC1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171772202 206748346 /nfs/dbraw/zinc/74/83/46/206748346.db2.gz WDERLMXIAMPVRS-UHFFFAOYSA-N 0 0 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ZINC000174926792 207073391 /nfs/dbraw/zinc/07/33/91/207073391.db2.gz RVNLAJYMFAOYFG-NSHDSACASA-N 0 0 349.362 2.536 10 5 EFBERN CC[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000175112577 207094397 /nfs/dbraw/zinc/09/43/97/207094397.db2.gz XSBCPFBBGSBACJ-LSDHHAIUSA-N 0 0 342.417 2.534 10 5 EFBERN CC[C@@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000267482765 251099674 /nfs/dbraw/zinc/09/96/74/251099674.db2.gz ZMVMRWRQDKBEDT-RHSMWYFYSA-N 0 0 347.371 2.846 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449673584 251110909 /nfs/dbraw/zinc/11/09/09/251110909.db2.gz PGLWTXNOEMYDMZ-IINYFYTJSA-N 0 0 348.321 2.739 10 5 EFBERN COC(=O)CCCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000267637399 251213609 /nfs/dbraw/zinc/21/36/09/251213609.db2.gz AFYKDDLYLUZSST-LBPRGKRZSA-N 0 0 337.376 2.607 10 5 EFBERN CO[C@@H](C)CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000449978278 251217835 /nfs/dbraw/zinc/21/78/35/251217835.db2.gz 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C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000355165627 146879190 /nfs/dbraw/zinc/87/91/90/146879190.db2.gz PDCINKNOHSXPOE-SCLBCKFNSA-N 0 0 349.431 2.700 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1Br ZINC000344269536 145408968 /nfs/dbraw/zinc/40/89/68/145408968.db2.gz MPDMRDFDOOZXBQ-SECBINFHSA-N 0 0 343.177 2.514 10 5 EFBERN O=C(NCC[C@H]1CCOC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000344273519 145410311 /nfs/dbraw/zinc/41/03/11/145410311.db2.gz PVSSDTCXMXKUGW-VIFPVBQESA-N 0 0 343.177 2.514 10 5 EFBERN CN(c1ccc([N+](=O)[O-])nc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000344423478 145445357 /nfs/dbraw/zinc/44/53/57/145445357.db2.gz RYDAHOFAONVQGD-UHFFFAOYSA-N 0 0 340.383 2.731 10 5 EFBERN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000345172093 145478936 /nfs/dbraw/zinc/47/89/36/145478936.db2.gz VRDGCAKLDFGKHJ-QMMMGPOBSA-N 0 0 340.792 2.941 10 5 EFBERN COc1ccccc1[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000345383942 145527515 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EFBERN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000347146529 145800163 /nfs/dbraw/zinc/80/01/63/145800163.db2.gz AASWZPUNNDMXJV-OAHLLOKOSA-N 0 0 345.403 2.822 10 5 EFBERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncnn1C ZINC000347222247 145817145 /nfs/dbraw/zinc/81/71/45/145817145.db2.gz QOBJSKISYDWOQM-SNVBAGLBSA-N 0 0 346.391 2.904 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(OC(F)F)c2)c1 ZINC000347370727 145852192 /nfs/dbraw/zinc/85/21/92/145852192.db2.gz JNWCGAFFYWWYER-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355222165 146896869 /nfs/dbraw/zinc/89/68/69/146896869.db2.gz GRUORSRCFCTCMU-CHWSQXEVSA-N 0 0 343.383 2.965 10 5 EFBERN CC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000348508679 145959793 /nfs/dbraw/zinc/95/97/93/145959793.db2.gz GJSGMNGGFATEGV-MRXNPFEDSA-N 0 0 341.367 2.592 10 5 EFBERN O=C1N[C@@H](CF)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000348945018 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Cc1cn2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000350730244 146084679 /nfs/dbraw/zinc/08/46/79/146084679.db2.gz RGKUTXRSNQRZPC-UHFFFAOYSA-N 0 0 346.368 2.660 10 5 EFBERN Cc1ccc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)nc1 ZINC000350768417 146089158 /nfs/dbraw/zinc/08/91/58/146089158.db2.gz XAXDDECYDYMEAX-UHFFFAOYSA-N 0 0 328.296 2.550 10 5 EFBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)Cc2ccccc2)c(F)c1 ZINC000350767028 146089314 /nfs/dbraw/zinc/08/93/14/146089314.db2.gz HNHJKQQGFCSJJU-UHFFFAOYSA-N 0 0 327.308 2.988 10 5 EFBERN COC(=O)c1cc(OCC(=O)Nc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000351508294 146134508 /nfs/dbraw/zinc/13/45/08/146134508.db2.gz DHYUIRKNHIDPFF-UHFFFAOYSA-N 0 0 344.323 2.707 10 5 EFBERN CCOC(=O)c1c(C)onc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351573152 146149110 /nfs/dbraw/zinc/14/91/10/146149110.db2.gz HUNZVGZEFZZZGM-SNVBAGLBSA-N 0 0 333.344 2.919 10 5 EFBERN CCOC(=O)c1c(C)onc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000351611482 146158502 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COc1cc(Cn2nnc(Cc3ccccc3C)n2)ccc1[N+](=O)[O-] ZINC000351821924 146210851 /nfs/dbraw/zinc/21/08/51/146210851.db2.gz LARBINLSEHOEMC-UHFFFAOYSA-N 0 0 339.355 2.537 10 5 EFBERN COc1cc(COc2ccc3c(c2)CCCNC3=O)ccc1[N+](=O)[O-] ZINC000351837131 146214782 /nfs/dbraw/zinc/21/47/82/146214782.db2.gz IHNOXJLKSJLERE-UHFFFAOYSA-N 0 0 342.351 2.858 10 5 EFBERN COc1cc(CSc2nnnn2Cc2ccco2)ccc1[N+](=O)[O-] ZINC000351844303 146216530 /nfs/dbraw/zinc/21/65/30/146216530.db2.gz ZVAIMKQEEKUKFG-UHFFFAOYSA-N 0 0 347.356 2.524 10 5 EFBERN COC(=O)[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351876391 146223431 /nfs/dbraw/zinc/22/34/31/146223431.db2.gz NJGPURBQZQCVMH-HNNXBMFYSA-N 0 0 336.294 2.877 10 5 EFBERN COC(=O)[C@H](C)c1c(C)nn(Cc2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000351919816 146235621 /nfs/dbraw/zinc/23/56/21/146235621.db2.gz UDKSGWVINIYHFP-SNVBAGLBSA-N 0 0 347.371 2.742 10 5 EFBERN CO[C@H](C)CN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000351922708 146236357 /nfs/dbraw/zinc/23/63/57/146236357.db2.gz JMSBILYZDYMKDD-MRVPVSSYSA-N 0 0 346.181 2.856 10 5 EFBERN CN(Cc1ccc[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000351971614 146251732 /nfs/dbraw/zinc/25/17/32/146251732.db2.gz UYLIHJGRJMUALM-UHFFFAOYSA-N 0 0 325.271 2.797 10 5 EFBERN CCC1(CC)CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[S@]1=O ZINC000351993768 146258430 /nfs/dbraw/zinc/25/84/30/146258430.db2.gz KHZYLWLTLKFUPZ-HSZRJFAPSA-N 0 0 346.399 2.996 10 5 EFBERN COCc1noc(CSCc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000352025001 146269039 /nfs/dbraw/zinc/26/90/39/146269039.db2.gz BMMFJSVBTFLJLU-UHFFFAOYSA-N 0 0 325.346 2.566 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cscn1 ZINC000352080660 146284441 /nfs/dbraw/zinc/28/44/41/146284441.db2.gz ALUKJMGSGWCNGB-UHFFFAOYSA-N 0 0 340.792 2.747 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000352822209 146324359 /nfs/dbraw/zinc/32/43/59/146324359.db2.gz DQZLCAIUFACDRJ-CABCVRRESA-N 0 0 328.372 2.634 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000352822212 146324611 /nfs/dbraw/zinc/32/46/11/146324611.db2.gz DQZLCAIUFACDRJ-LSDHHAIUSA-N 0 0 328.372 2.634 10 5 EFBERN COc1cc2c(cc1C(=O)Nc1ccc([N+](=O)[O-])cc1F)OCO2 ZINC000352836410 146329182 /nfs/dbraw/zinc/32/91/82/146329182.db2.gz TWBVBKWPOMNNBC-UHFFFAOYSA-N 0 0 334.259 2.724 10 5 EFBERN COc1cccc(C[C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000352878439 146339316 /nfs/dbraw/zinc/33/93/16/146339316.db2.gz USRPMLFHYFLLEJ-CYBMUJFWSA-N 0 0 344.367 2.730 10 5 EFBERN C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000352984484 146366300 /nfs/dbraw/zinc/36/63/00/146366300.db2.gz PKAFLNUCUYHIMX-LBPRGKRZSA-N 0 0 326.418 2.793 10 5 EFBERN CSc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[nH][nH]2)c1[N+](=O)[O-] ZINC000352994733 146369954 /nfs/dbraw/zinc/36/99/54/146369954.db2.gz UQTZMXWUBVNBKF-LLVKDONJSA-N 0 0 348.384 2.566 10 5 EFBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nc(-c3ccsc3)no1)CC2 ZINC000352998935 146370206 /nfs/dbraw/zinc/37/02/06/146370206.db2.gz STVFSLIRKWNSFK-UHFFFAOYSA-N 0 0 343.368 2.660 10 5 EFBERN COc1ccc(OCCCN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353048311 146385291 /nfs/dbraw/zinc/38/52/91/146385291.db2.gz ULZAMCLRHAYVRQ-UHFFFAOYSA-N 0 0 343.383 2.826 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000355583899 147004432 /nfs/dbraw/zinc/00/44/32/147004432.db2.gz NNOUBXZAPXTYLB-STQMWFEESA-N 0 0 348.403 2.767 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000355583891 147004434 /nfs/dbraw/zinc/00/44/34/147004434.db2.gz NNOUBXZAPXTYLB-OLZOCXBDSA-N 0 0 348.403 2.767 10 5 EFBERN O=[N+]([O-])c1ncn(Cc2nc(-c3ccc(Cl)c(Cl)c3)no2)n1 ZINC000355597660 147008284 /nfs/dbraw/zinc/00/82/84/147008284.db2.gz NHYAPRCOKWGTLE-UHFFFAOYSA-N 0 0 341.114 2.591 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)n1 ZINC000355623405 147015896 /nfs/dbraw/zinc/01/58/96/147015896.db2.gz MTUJPBSULPKXLJ-NSHDSACASA-N 0 0 334.298 2.569 10 5 EFBERN COc1ncccc1CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000355719180 147044423 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IYCYVVYQELGRJH-LSDHHAIUSA-N 0 0 348.399 2.607 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000375168698 292379255 /nfs/dbraw/zinc/37/92/55/292379255.db2.gz SFLGCGGHRTVAHT-UHFFFAOYSA-N 0 0 331.303 2.785 10 5 EFBERN CC[C@@H](CO)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000452286945 286842300 /nfs/dbraw/zinc/84/23/00/286842300.db2.gz ZTWPLRUXJDWNIK-HIFRSBDPSA-N 0 0 349.431 2.674 10 5 EFBERN CC[C@@H](CSC)N(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416447022 286856592 /nfs/dbraw/zinc/85/65/92/286856592.db2.gz BGHLPXULYAZLOZ-LBPRGKRZSA-N 0 0 346.474 2.974 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1CCCC1 ZINC000183582156 287001454 /nfs/dbraw/zinc/00/14/54/287001454.db2.gz ISCQDIZQEQKMCS-CYBMUJFWSA-N 0 0 347.415 2.740 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000122833545 222167072 /nfs/dbraw/zinc/16/70/72/222167072.db2.gz GCCDMJAMWANRDT-WBMJQRKESA-N 0 0 344.371 2.523 10 5 EFBERN CCN(CC)C(=O)C1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123165904 222227616 /nfs/dbraw/zinc/22/76/16/222227616.db2.gz APOJTHFDFQSJBZ-UHFFFAOYSA-N 0 0 347.415 2.624 10 5 EFBERN CC(C)c1csc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000010639117 544423827 /nfs/dbraw/zinc/42/38/27/544423827.db2.gz KVKQVFXVLBNONM-UHFFFAOYSA-N 0 0 348.384 2.543 10 5 EFBERN CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1F ZINC000045520527 272974774 /nfs/dbraw/zinc/97/47/74/272974774.db2.gz SMUYFDQNCYPGCS-UHFFFAOYSA-N 0 0 332.291 2.648 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1cccc(Cl)c1 ZINC000047023789 272980365 /nfs/dbraw/zinc/98/03/65/272980365.db2.gz IGBYOOBCWBWQGA-UHFFFAOYSA-N 0 0 335.747 2.760 10 5 EFBERN C[C@@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000179551459 264936679 /nfs/dbraw/zinc/93/66/79/264936679.db2.gz SHDOCVUJVRFCKC-OLZOCXBDSA-N 0 0 344.367 2.732 10 5 EFBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)C12CCCC2 ZINC000184437247 265017283 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C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CCCCC1=O ZINC000190294449 265218905 /nfs/dbraw/zinc/21/89/05/265218905.db2.gz CANYOBHJNIEEJK-LBPRGKRZSA-N 0 0 328.372 2.956 10 5 EFBERN Cc1ccccc1C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000190623647 265232741 /nfs/dbraw/zinc/23/27/41/265232741.db2.gz YNHWZMJWBOICCN-OAHLLOKOSA-N 0 0 328.368 2.545 10 5 EFBERN CC(C)(C)c1nnsc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000191425768 265264353 /nfs/dbraw/zinc/26/43/53/265264353.db2.gz BASHWQAEDPWNHK-UHFFFAOYSA-N 0 0 332.385 2.947 10 5 EFBERN CO[C@@H]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000191676944 265273388 /nfs/dbraw/zinc/27/33/88/265273388.db2.gz ZNYZSVDJEHUMQE-VXGBXAGGSA-N 0 0 342.779 2.701 10 5 EFBERN CO[C@@H](C)[C@H](C)Nc1nc(N[C@@H](C)[C@H](C)OC)c([N+](=O)[O-])s1 ZINC000191901720 265280598 /nfs/dbraw/zinc/28/05/98/265280598.db2.gz RQVRRGUQCMQOFA-XKNYDFJKSA-N 0 0 332.426 2.722 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000048174599 272984792 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Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000270749645 265794748 /nfs/dbraw/zinc/79/47/48/265794748.db2.gz BZXDWXGSTISZMV-ZYHUDNBSSA-N 0 0 332.360 2.843 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000270782356 265806560 /nfs/dbraw/zinc/80/65/60/265806560.db2.gz KHYREEMCXIGAGE-AWEZNQCLSA-N 0 0 332.335 2.739 10 5 EFBERN C[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000270855366 265827237 /nfs/dbraw/zinc/82/72/37/265827237.db2.gz YTIHOHJTIXDQSD-MEBBXXQBSA-N 0 0 332.335 2.691 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)n1 ZINC000271069610 265893653 /nfs/dbraw/zinc/89/36/53/265893653.db2.gz XXADPJMJCLQGHE-UHFFFAOYSA-N 0 0 348.407 2.830 10 5 EFBERN Cc1sc(C(=O)NCc2ccc([C@H](C)O)c(C)n2)cc1[N+](=O)[O-] ZINC000271290025 265938879 /nfs/dbraw/zinc/93/88/79/265938879.db2.gz MABLUQFXIOMBKW-VIFPVBQESA-N 0 0 335.385 2.651 10 5 EFBERN CCOc1ccccc1[C@H](CC)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271374284 265959720 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EFBERN C[C@@H](NC(=O)NC[C@@](C)(O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271721731 266050072 /nfs/dbraw/zinc/05/00/72/266050072.db2.gz WTVJIKZXNGJCLJ-FZKQIMNGSA-N 0 0 343.383 2.863 10 5 EFBERN Cc1nc(C(C)(C)NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000271749776 266053872 /nfs/dbraw/zinc/05/38/72/266053872.db2.gz FJGQTJUYSPXCND-SECBINFHSA-N 0 0 333.348 2.582 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1F ZINC000088233502 272994687 /nfs/dbraw/zinc/99/46/87/272994687.db2.gz QRRVUFFDORHCBU-LLVKDONJSA-N 0 0 334.351 2.851 10 5 EFBERN CC(C)[C@@H](O)C1(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271988868 266115685 /nfs/dbraw/zinc/11/56/85/266115685.db2.gz RJGUPLQIJIGMHD-SWLSCSKDSA-N 0 0 335.404 2.752 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000272041999 266133198 /nfs/dbraw/zinc/13/31/98/266133198.db2.gz COLRQOMXTVIIEF-JKSUJKDBSA-N 0 0 334.416 2.783 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C(C)(C)C)[C@@H](O)C1 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328.159 2.920 10 5 EFBERN Cc1c(Br)cc(C(=O)NC(C)(C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000272796506 266384384 /nfs/dbraw/zinc/38/43/84/266384384.db2.gz KGDHUHSYYCOVEE-MRVPVSSYSA-N 0 0 345.193 2.555 10 5 EFBERN CC(C)C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272808862 266388361 /nfs/dbraw/zinc/38/83/61/266388361.db2.gz MRRXYFSLGJNMKO-UHFFFAOYSA-N 0 0 325.796 2.548 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1noc(C)n1 ZINC000273218011 266467349 /nfs/dbraw/zinc/46/73/49/266467349.db2.gz BLECFCFGLXMQKA-MDZDMXLPSA-N 0 0 330.344 2.741 10 5 EFBERN CC(C)(C)[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000274378377 266641064 /nfs/dbraw/zinc/64/10/64/266641064.db2.gz FYBHHZWHKAJFNZ-HZPDHXFCSA-N 0 0 349.431 2.576 10 5 EFBERN CC(C)C[C@@H](CO)N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000274688995 266691638 /nfs/dbraw/zinc/69/16/38/266691638.db2.gz JHWQJGIAGUVHIU-JTQLQIEISA-N 0 0 332.198 2.596 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NCc1cccc(N2CCOCC2)n1 ZINC000274754567 266702450 /nfs/dbraw/zinc/70/24/50/266702450.db2.gz INABGXYNONQGRQ-UHFFFAOYSA-N 0 0 328.372 2.747 10 5 EFBERN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275906309 266895442 /nfs/dbraw/zinc/89/54/42/266895442.db2.gz KWWWIMHETQMNLN-SHTZXODSSA-N 0 0 347.415 2.571 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[C@H](O)CC1 ZINC000275920279 266895964 /nfs/dbraw/zinc/89/59/64/266895964.db2.gz MNCNFSFYHBQXBO-AULYBMBSSA-N 0 0 346.305 2.989 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](OC)C2)cc1Cl ZINC000276130383 266930038 /nfs/dbraw/zinc/93/00/38/266930038.db2.gz ZXMCYSOBOKSFNX-YMTOWFKASA-N 0 0 342.779 2.896 10 5 EFBERN Cc1nc(C2CC2)oc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276154416 266933598 /nfs/dbraw/zinc/93/35/98/266933598.db2.gz DLMVEVWUEYPVJO-UHFFFAOYSA-N 0 0 343.339 2.672 10 5 EFBERN Cc1nnc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1C1CC1 ZINC000276533384 267008234 /nfs/dbraw/zinc/00/82/34/267008234.db2.gz FFURDRYAULONIZ-UHFFFAOYSA-N 0 0 349.778 2.721 10 5 EFBERN Cc1cc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000276782914 267049780 /nfs/dbraw/zinc/04/97/80/267049780.db2.gz ONLUNWHOYLYROU-CQSZACIVSA-N 0 0 344.346 2.650 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000276821534 267055711 /nfs/dbraw/zinc/05/57/11/267055711.db2.gz UFARHQNJFFGUQN-QFSBIZTOSA-N 0 0 341.367 2.921 10 5 EFBERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000276856325 267062152 /nfs/dbraw/zinc/06/21/52/267062152.db2.gz YJZQEOLYZQHJBP-XEZPLFJOSA-N 0 0 332.356 2.575 10 5 EFBERN Nc1c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc(F)cc1[N+](=O)[O-] ZINC000277384012 267169376 /nfs/dbraw/zinc/16/93/76/267169376.db2.gz CRGCKCYUTCRSSR-ZETCQYMHSA-N 0 0 335.257 2.731 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277389081 267169413 /nfs/dbraw/zinc/16/94/13/267169413.db2.gz DHOMZNYBESDUOE-BXUZGUMPSA-N 0 0 349.387 2.580 10 5 EFBERN Cc1cccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000277681364 267233027 /nfs/dbraw/zinc/23/30/27/267233027.db2.gz UCLMCGIFDKASJG-GWCFXTLKSA-N 0 0 346.305 2.679 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277692331 267236154 /nfs/dbraw/zinc/23/61/54/267236154.db2.gz VLNBUJIGQZQWNG-JTQLQIEISA-N 0 0 331.294 2.808 10 5 EFBERN O=C(NCCC1CCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277709438 267241369 /nfs/dbraw/zinc/24/13/69/267241369.db2.gz IJYQZQXDRVLRGM-UHFFFAOYSA-N 0 0 331.376 2.851 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000277742891 267250662 /nfs/dbraw/zinc/25/06/62/267250662.db2.gz RBBOGKFPKUCHRX-BBRMVZONSA-N 0 0 335.404 2.940 10 5 EFBERN Cc1c(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000277755574 267254025 /nfs/dbraw/zinc/25/40/25/267254025.db2.gz CJSOGAFKQBXWDO-GXFFZTMASA-N 0 0 346.305 2.679 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOCC(F)(F)C(F)F ZINC000277800845 267267019 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EFBERN O=C(NC[C@H](CO)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000151714815 273020138 /nfs/dbraw/zinc/02/01/38/273020138.db2.gz AOVPGSMRWPBWCZ-CYBMUJFWSA-N 0 0 339.351 2.582 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCO[C@H]2CCCC[C@@H]21 ZINC000161666501 273022370 /nfs/dbraw/zinc/02/23/70/273022370.db2.gz ZGMKQMDBUDBNHF-HOTGVXAUSA-N 0 0 329.356 2.860 10 5 EFBERN Cc1c(NC(=O)NC[C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000176792358 273034169 /nfs/dbraw/zinc/03/41/69/273034169.db2.gz ASELJSMJHRDAKX-AWEZNQCLSA-N 0 0 329.356 2.801 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000177041714 273035845 /nfs/dbraw/zinc/03/58/45/273035845.db2.gz LKBGOGCBGLZSGU-UHFFFAOYSA-N 0 0 346.412 2.785 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(C(=O)OC)cn1)c1cccc([N+](=O)[O-])c1 ZINC000177798235 273038413 /nfs/dbraw/zinc/03/84/13/273038413.db2.gz SSPSFBOIUITKIS-CQSZACIVSA-N 0 0 343.339 2.658 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177806913 273038513 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C[C@H]1COCC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000193191085 273062294 /nfs/dbraw/zinc/06/22/94/273062294.db2.gz GTXVHTVWBWPUTD-GWCFXTLKSA-N 0 0 330.344 2.596 10 5 EFBERN C[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269487684 273081652 /nfs/dbraw/zinc/08/16/52/273081652.db2.gz RADKXKFAFXOFMU-HTQZYQBOSA-N 0 0 338.307 2.548 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271704224 273106865 /nfs/dbraw/zinc/10/68/65/273106865.db2.gz TYLJRSTYHUGYFN-MLGOLLRUSA-N 0 0 335.404 2.896 10 5 EFBERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271740223 273107183 /nfs/dbraw/zinc/10/71/83/273107183.db2.gz IKYQEKBFYRYEAJ-QWHCGFSZSA-N 0 0 349.387 2.641 10 5 EFBERN Cc1ccc(C)c([C@H]2CN(c3ncc([N+](=O)[O-])cn3)[C@@H](C)CO2)c1 ZINC000273662691 273117419 /nfs/dbraw/zinc/11/74/19/273117419.db2.gz WFYZSCXPLTWRKB-XJKSGUPXSA-N 0 0 328.372 2.968 10 5 EFBERN O=[N+]([O-])c1ccccc1NCc1cnc(N2CCOCC2)c(F)c1 ZINC000274160567 273124537 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2.975 10 5 EFBERN Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)o1 ZINC000279224790 273190261 /nfs/dbraw/zinc/19/02/61/273190261.db2.gz PLIGYGKMRQZOSN-UHFFFAOYSA-N 0 0 335.335 2.974 10 5 EFBERN O=C(NCC1(CO)CC2(CCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000279230598 273191054 /nfs/dbraw/zinc/19/10/54/273191054.db2.gz YVTVMAXVIGTCNW-UHFFFAOYSA-N 0 0 338.791 2.921 10 5 EFBERN CC[C@H](NC(=O)c1ccnn1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000279378784 273208838 /nfs/dbraw/zinc/20/88/38/273208838.db2.gz GENMODGFHYQTIR-LBPRGKRZSA-N 0 0 338.314 2.938 10 5 EFBERN CN(C[C@H]1CCCCO1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279680954 273241712 /nfs/dbraw/zinc/24/17/12/273241712.db2.gz BADOJKCNVYRBPC-LLVKDONJSA-N 0 0 344.770 2.957 10 5 EFBERN CC(C)(O)C(C)(C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279748950 273249237 /nfs/dbraw/zinc/24/92/37/273249237.db2.gz LBBUPNVFJBVRHA-UHFFFAOYSA-N 0 0 332.759 2.596 10 5 EFBERN CC[C@H](NC(=O)CCC(=O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000279881172 273264408 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EFBERN COC(=O)c1cc(C)nc(N(C)[C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000286015864 274117770 /nfs/dbraw/zinc/11/77/70/274117770.db2.gz AOCGPDTYTVDZBR-LLVKDONJSA-N 0 0 330.344 2.677 10 5 EFBERN O=c1[nH]c(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccc([N+](=O)[O-])cc21 ZINC000286075957 274128475 /nfs/dbraw/zinc/12/84/75/274128475.db2.gz BFONFWYVGIOUQJ-GDLCADMTSA-N 0 0 342.355 2.613 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H](O)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000286176781 274147619 /nfs/dbraw/zinc/14/76/19/274147619.db2.gz PXCVPUPKDPNDJA-CQSZACIVSA-N 0 0 345.355 2.539 10 5 EFBERN COC(=O)c1cc(C)nc(N(C)[C@@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC000286224505 274157137 /nfs/dbraw/zinc/15/71/37/274157137.db2.gz LLRAWXVCIHOVQV-NSHDSACASA-N 0 0 330.344 2.677 10 5 EFBERN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000286324912 274178410 /nfs/dbraw/zinc/17/84/10/274178410.db2.gz ACSAOGYDTJWXOF-CJNGLKHVSA-N 0 0 328.372 2.791 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCCOC3)C2)cc1C(F)(F)F ZINC000286357040 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C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000355962775 288492006 /nfs/dbraw/zinc/49/20/06/288492006.db2.gz XLLDPJRWMHMDHE-JHJVBQTASA-N 0 0 343.387 2.682 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2COc3ccccc32)cc1C ZINC000058506987 292668463 /nfs/dbraw/zinc/66/84/63/292668463.db2.gz FGPSWUVDEXBUPP-CYBMUJFWSA-N 0 0 348.380 2.624 10 5 EFBERN C[C@@H]1Cc2ccccc2[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354615970 288819229 /nfs/dbraw/zinc/81/92/29/288819229.db2.gz PBKLYSSNWUXSDO-BDJLRTHQSA-N 0 0 332.381 2.807 10 5 EFBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000359692157 288957073 /nfs/dbraw/zinc/95/70/73/288957073.db2.gz ARPUQIQWJOSTHX-BDAKNGLRSA-N 0 0 329.282 2.805 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCC(=O)Nc2ccccc21 ZINC000072518940 292715467 /nfs/dbraw/zinc/71/54/67/292715467.db2.gz ACNAKOKUCVHQEN-UHFFFAOYSA-N 0 0 327.340 2.952 10 5 EFBERN C[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000076725878 292759474 /nfs/dbraw/zinc/75/94/74/292759474.db2.gz KPNMUMQJKKTFRT-UWVGGRQHSA-N 0 0 339.779 2.834 10 5 EFBERN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCCO1 ZINC000120747182 292931674 /nfs/dbraw/zinc/93/16/74/292931674.db2.gz XQUMOGAGPKXYBU-BLLLJJGKSA-N 0 0 333.388 2.836 10 5 EFBERN Cc1ncc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000123209261 292976531 /nfs/dbraw/zinc/97/65/31/292976531.db2.gz HZIQWTOAITUQOD-UHFFFAOYSA-N 0 0 332.385 2.628 10 5 EFBERN COc1ncc(C)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124904800 293003763 /nfs/dbraw/zinc/00/37/63/293003763.db2.gz HRCCCHKFHAGFQH-UHFFFAOYSA-N 0 0 342.355 2.897 10 5 EFBERN O=C(NCCC1=CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000126214029 293031758 /nfs/dbraw/zinc/03/17/58/293031758.db2.gz ZOTDSGVDOVRXPZ-UHFFFAOYSA-N 0 0 344.415 2.927 10 5 EFBERN CCc1cc(C)c(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000126562409 293043311 /nfs/dbraw/zinc/04/33/11/293043311.db2.gz ZYLXEKVPYWVNCC-GFCCVEGCSA-N 0 0 344.371 2.780 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000126731106 293048529 /nfs/dbraw/zinc/04/85/29/293048529.db2.gz MLQONVKSSXNWTK-JTQLQIEISA-N 0 0 345.330 2.829 10 5 EFBERN CCOC(=O)c1cc(NC[C@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000127771142 293080706 /nfs/dbraw/zinc/08/07/06/293080706.db2.gz WNQVFVBWKCAVRM-CQSZACIVSA-N 0 0 344.367 2.960 10 5 EFBERN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000128173407 293094193 /nfs/dbraw/zinc/09/41/93/293094193.db2.gz MBLHHDFKENXHCB-UHFFFAOYSA-N 0 0 347.331 2.757 10 5 EFBERN Cc1nn(C)c(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000128729543 293113213 /nfs/dbraw/zinc/11/32/13/293113213.db2.gz IEKJVDRKUCLQDG-GFCCVEGCSA-N 0 0 330.388 2.648 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(-n2cccn2)ccn1 ZINC000129278021 293129368 /nfs/dbraw/zinc/12/93/68/293129368.db2.gz DGLKVRHIRMXBEG-GFCCVEGCSA-N 0 0 349.350 2.767 10 5 EFBERN CSCCCCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000129462801 293134463 /nfs/dbraw/zinc/13/44/63/293134463.db2.gz WMBAWOIHLAUPRN-UHFFFAOYSA-N 0 0 326.418 2.932 10 5 EFBERN Cc1ccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])cnc2C)o1 ZINC000130265398 293159532 /nfs/dbraw/zinc/15/95/32/293159532.db2.gz KXQLYHIFIOFMBN-UHFFFAOYSA-N 0 0 341.327 2.697 10 5 EFBERN CCOc1ccc(C(=O)Nc2ccc(C(C)=O)cn2)cc1[N+](=O)[O-] ZINC000131294598 293192488 /nfs/dbraw/zinc/19/24/88/293192488.db2.gz NOLVZDCWWGCOCQ-UHFFFAOYSA-N 0 0 329.312 2.843 10 5 EFBERN COC[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000458600374 293206888 /nfs/dbraw/zinc/20/68/88/293206888.db2.gz ZVBMLTRJHMPTPE-HNNXBMFYSA-N 0 0 335.404 2.595 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000132266234 293222942 /nfs/dbraw/zinc/22/29/42/293222942.db2.gz HWDDIRCVIIRFHE-LLVKDONJSA-N 0 0 348.330 2.999 10 5 EFBERN O=C(NCCC[C@H]1CCCC[C@H]1O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000134419931 293288967 /nfs/dbraw/zinc/28/89/67/293288967.db2.gz UNHAQMUHSADHPC-IAQYHMDHSA-N 0 0 346.387 2.532 10 5 EFBERN COc1ccc(C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000134401758 293289005 /nfs/dbraw/zinc/28/90/05/293289005.db2.gz FXFUOWDFPJATAO-SWLSCSKDSA-N 0 0 336.388 2.665 10 5 EFBERN Cc1ncc(Cl)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n1 ZINC000151651215 293296203 /nfs/dbraw/zinc/29/62/03/293296203.db2.gz WYUNEJGCEKUKGG-QMMMGPOBSA-N 0 0 332.747 2.938 10 5 EFBERN CCC(C)(C)c1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000151804111 293302784 /nfs/dbraw/zinc/30/27/84/293302784.db2.gz OMSKSUIUVCWOCR-UHFFFAOYSA-N 0 0 330.388 2.795 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000151858206 293305437 /nfs/dbraw/zinc/30/54/37/293305437.db2.gz MMOGLOOSZRLPQI-UHFFFAOYSA-N 0 0 340.339 2.677 10 5 EFBERN C[C@H]1CCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152127559 293319053 /nfs/dbraw/zinc/31/90/53/293319053.db2.gz PHEAUNWONKEDJA-QWHCGFSZSA-N 0 0 326.418 2.841 10 5 EFBERN C[C@@H]1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152127328 293319186 /nfs/dbraw/zinc/31/91/86/293319186.db2.gz PHEAUNWONKEDJA-OLZOCXBDSA-N 0 0 326.418 2.841 10 5 EFBERN CCO[C@@H](C)c1noc(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000153130128 293362335 /nfs/dbraw/zinc/36/23/35/293362335.db2.gz CSYDIZHHUQVRAK-NSHDSACASA-N 0 0 332.360 2.634 10 5 EFBERN COc1ccc(OC[C@H](O)COc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000153158287 293363163 /nfs/dbraw/zinc/36/31/63/293363163.db2.gz LJGDBCSANBIASO-CYBMUJFWSA-N 0 0 333.340 2.731 10 5 EFBERN COc1ccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153272111 293368563 /nfs/dbraw/zinc/36/85/63/293368563.db2.gz WLXBDNRBIXBADC-UHFFFAOYSA-N 0 0 341.367 2.600 10 5 EFBERN C[C@@H](C(=O)NC1CCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153294850 293369230 /nfs/dbraw/zinc/36/92/30/293369230.db2.gz DPQNOPUZOPTDEH-ZDUSSCGKSA-N 0 0 331.416 2.790 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153300112 293369910 /nfs/dbraw/zinc/36/99/10/293369910.db2.gz BKXCOYWDLZGONG-LBPRGKRZSA-N 0 0 344.415 2.625 10 5 EFBERN CC[C@H]1CCCCN1C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397314 293373607 /nfs/dbraw/zinc/37/36/07/293373607.db2.gz DICXYVJGHKKYCY-HNNXBMFYSA-N 0 0 331.416 2.744 10 5 EFBERN C[C@H]1Cc2ccccc2[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153717269 293390426 /nfs/dbraw/zinc/39/04/26/293390426.db2.gz RBTRMHVAARRFMA-SJCJKPOMSA-N 0 0 346.408 2.948 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)NCC2(CCO)CCC2)cc1[N+](=O)[O-] ZINC000153836844 293396559 /nfs/dbraw/zinc/39/65/59/293396559.db2.gz QPKBVZRDWIJGTB-CYBMUJFWSA-N 0 0 335.404 2.816 10 5 EFBERN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CC1CCCC1)c1ccccc1 ZINC000154282285 293417947 /nfs/dbraw/zinc/41/79/47/293417947.db2.gz OVIKMBWXELGQCL-OAHLLOKOSA-N 0 0 343.387 2.624 10 5 EFBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000154820720 293442297 /nfs/dbraw/zinc/44/22/97/293442297.db2.gz IUHGDXUDCIMNCS-JKSUJKDBSA-N 0 0 347.415 2.656 10 5 EFBERN CCSCC[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155184245 293459475 /nfs/dbraw/zinc/45/94/75/293459475.db2.gz DNFSEIGVGKIKFM-NSHDSACASA-N 0 0 332.447 2.546 10 5 EFBERN CN(C(=O)Cn1ccc(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000158572695 293577811 /nfs/dbraw/zinc/57/78/11/293577811.db2.gz SXTVMFYGKOMHGR-UHFFFAOYSA-N 0 0 337.335 2.573 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000173714932 293608907 /nfs/dbraw/zinc/60/89/07/293608907.db2.gz ZQTCEXDRCODSAU-SJCJKPOMSA-N 0 0 341.367 2.900 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000248831155 293762709 /nfs/dbraw/zinc/76/27/09/293762709.db2.gz MMUUWIXMAIFMAN-HLLBOEOZSA-N 0 0 334.416 2.831 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000255915635 293894593 /nfs/dbraw/zinc/89/45/93/293894593.db2.gz SGZCPCQGSVAFNK-AFCDSYGPSA-N 0 0 339.351 2.683 10 5 EFBERN Cc1noc(C)c1C(C)(C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000290010698 293974535 /nfs/dbraw/zinc/97/45/35/293974535.db2.gz GNJQRIYXWRYKEY-UHFFFAOYSA-N 0 0 343.343 2.894 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1CCCC1 ZINC000290298975 294050188 /nfs/dbraw/zinc/05/01/88/294050188.db2.gz SOEOMNQQHAKQRY-UHFFFAOYSA-N 0 0 333.388 2.792 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](C2CC2)C1 ZINC000290365899 294067662 /nfs/dbraw/zinc/06/76/62/294067662.db2.gz AFZJXQGBXIUSGO-LBPRGKRZSA-N 0 0 332.356 2.628 10 5 EFBERN CC1(C)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000290561580 294120569 /nfs/dbraw/zinc/12/05/69/294120569.db2.gz ALNHDIBRKOIAMP-NSHDSACASA-N 0 0 330.431 2.685 10 5 EFBERN O=C(NCCCc1nccs1)NCCc1ccccc1[N+](=O)[O-] ZINC000290670751 294152529 /nfs/dbraw/zinc/15/25/29/294152529.db2.gz HAMDSZPXHONRKK-UHFFFAOYSA-N 0 0 334.401 2.526 10 5 EFBERN CCc1ccc(C(=O)NCCc2cccnc2OC)cc1[N+](=O)[O-] ZINC000290738766 294171339 /nfs/dbraw/zinc/17/13/39/294171339.db2.gz ORYHNOPHSTVPNC-UHFFFAOYSA-N 0 0 329.356 2.533 10 5 EFBERN CC[C@H](NC(=O)N[C@@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290947379 294227953 /nfs/dbraw/zinc/22/79/53/294227953.db2.gz GNSJYULZWKCJJU-HOTGVXAUSA-N 0 0 335.404 2.896 10 5 EFBERN COCCC1(C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000291109658 294278032 /nfs/dbraw/zinc/27/80/32/294278032.db2.gz CIJSIKHKLKIBNI-UHFFFAOYSA-N 0 0 333.388 2.668 10 5 EFBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCN1CC(F)(F)F ZINC000291219710 294314758 /nfs/dbraw/zinc/31/47/58/294314758.db2.gz SBYPNMXRYANGDC-SNVBAGLBSA-N 0 0 335.257 2.699 10 5 EFBERN Cc1c(NC(=O)[C@@H]2CCCN2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000291262873 294328906 /nfs/dbraw/zinc/32/89/06/294328906.db2.gz XFNDFAYWHXUYFC-LBPRGKRZSA-N 0 0 331.294 2.868 10 5 EFBERN Cc1c(NC(=O)[C@H]2CCCN2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000291262871 294329144 /nfs/dbraw/zinc/32/91/44/294329144.db2.gz XFNDFAYWHXUYFC-GFCCVEGCSA-N 0 0 331.294 2.868 10 5 EFBERN O=C([C@@H]1CCCN1CC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000291278680 294333864 /nfs/dbraw/zinc/33/38/64/294333864.db2.gz YONOCDQPNFHASM-LBPRGKRZSA-N 0 0 343.305 2.511 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1noc(COC(C)C)n1 ZINC000291329661 294349974 /nfs/dbraw/zinc/34/99/74/294349974.db2.gz RXDBWYXVRCTJBI-LLVKDONJSA-N 0 0 348.359 2.702 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291358887 294358257 /nfs/dbraw/zinc/35/82/57/294358257.db2.gz XWYHCHRCUXIZQD-IBGZPJMESA-N 0 0 340.379 2.679 10 5 EFBERN CC(C)N(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCOC1 ZINC000291666607 294447831 /nfs/dbraw/zinc/44/78/31/294447831.db2.gz QUZVJUKXIWJAQC-CQSZACIVSA-N 0 0 331.372 2.645 10 5 EFBERN CC1(C)CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000291839442 294500029 /nfs/dbraw/zinc/50/00/29/294500029.db2.gz GSIXMGUXRKHZAU-GOSISDBHSA-N 0 0 343.383 2.917 10 5 EFBERN CC(C)OCCN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291922315 294522994 /nfs/dbraw/zinc/52/29/94/294522994.db2.gz LPSINIALYCYOLN-UHFFFAOYSA-N 0 0 344.415 2.690 10 5 EFBERN CC[C@H]1CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000291947511 294530822 /nfs/dbraw/zinc/53/08/22/294530822.db2.gz NUTCNBQXMFMUFL-QMMMGPOBSA-N 0 0 349.206 2.530 10 5 EFBERN CO[C@H](C)[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000292190720 294606786 /nfs/dbraw/zinc/60/67/86/294606786.db2.gz BALHVIOZOCBBTB-RKDXNWHRSA-N 0 0 349.309 2.836 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C2CC2)cc1F ZINC000292216877 294615120 /nfs/dbraw/zinc/61/51/20/294615120.db2.gz BWDHIUFCLMMGKX-UHFFFAOYSA-N 0 0 346.362 2.823 10 5 EFBERN COc1cc(N2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000292329630 294648606 /nfs/dbraw/zinc/64/86/06/294648606.db2.gz MYSHVDUVWSDGSM-SFHVURJKSA-N 0 0 346.358 2.883 10 5 EFBERN CC[C@H]1CCN1c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000292394407 294669280 /nfs/dbraw/zinc/66/92/80/294669280.db2.gz UGUMWOTYDZGWOK-LBPRGKRZSA-N 0 0 341.433 2.614 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292416620 294676571 /nfs/dbraw/zinc/67/65/71/294676571.db2.gz BZLHWHYWLNUVOE-ZJUUUORDSA-N 0 0 335.385 2.872 10 5 EFBERN COCC1(CCNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CCC1 ZINC000292647572 294747394 /nfs/dbraw/zinc/74/73/94/294747394.db2.gz BMPDMXDEXJMVFM-UHFFFAOYSA-N 0 0 337.376 2.704 10 5 EFBERN C[C@@H](NC(=O)NCc1ncccc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC000292690589 294758779 /nfs/dbraw/zinc/75/87/79/294758779.db2.gz XWNWEVDXMWLVLE-GFCCVEGCSA-N 0 0 343.387 2.616 10 5 EFBERN C[C@]12CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000292922818 294825871 /nfs/dbraw/zinc/82/58/71/294825871.db2.gz SLQRNPWNSZQUKP-HIFRSBDPSA-N 0 0 339.342 2.901 10 5 EFBERN COCCC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000292929129 294827876 /nfs/dbraw/zinc/82/78/76/294827876.db2.gz FLUUCAMXUHQFGU-UHFFFAOYSA-N 0 0 347.415 2.694 10 5 EFBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000293565649 295000959 /nfs/dbraw/zinc/00/09/59/295000959.db2.gz DEUZRVWDWSPLKN-AWEZNQCLSA-N 0 0 347.371 2.736 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(C2CC2)cc1F ZINC000293596286 295007966 /nfs/dbraw/zinc/00/79/66/295007966.db2.gz HBMRCQHAOYFJTJ-UHFFFAOYSA-N 0 0 332.335 2.514 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000408302906 295028784 /nfs/dbraw/zinc/02/87/84/295028784.db2.gz KJFLHUVDPZGGTK-UTUOFQBUSA-N 0 0 342.417 2.659 10 5 EFBERN C[C@]12CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@H]1C2(F)F ZINC000293736158 295038447 /nfs/dbraw/zinc/03/84/47/295038447.db2.gz UVTFUNHRZOIQRT-YPMHNXCESA-N 0 0 332.253 2.990 10 5 EFBERN C[C@@H]1[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000293859508 295065585 /nfs/dbraw/zinc/06/55/85/295065585.db2.gz AIWZKJCSHZRLNT-NKWVEPMBSA-N 0 0 331.141 2.977 10 5 EFBERN COc1cc(C(=O)N2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000294109364 295112466 /nfs/dbraw/zinc/11/24/66/295112466.db2.gz MYKBCBFCZSOLOS-YUMQZZPRSA-N 0 0 330.287 2.685 10 5 EFBERN Cc1c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])nnn1C(C)C ZINC000294227740 295131770 /nfs/dbraw/zinc/13/17/70/295131770.db2.gz VFFACNQTJHMFIK-UHFFFAOYSA-N 0 0 331.376 2.741 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1nccnc1C ZINC000294467996 295171787 /nfs/dbraw/zinc/17/17/87/295171787.db2.gz ILEBZWRWJKJUAN-UHFFFAOYSA-N 0 0 334.763 2.628 10 5 EFBERN Cc1sc(C(=O)NC[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000294485628 295174541 /nfs/dbraw/zinc/17/45/41/295174541.db2.gz JBZUZCJRJROLFO-LBPRGKRZSA-N 0 0 326.418 2.883 10 5 EFBERN NC(=O)c1ccc(N2CCc3ccc(F)c(F)c3C2)c([N+](=O)[O-])c1 ZINC000362993197 295182957 /nfs/dbraw/zinc/18/29/57/295182957.db2.gz QHAGZQVVNXHWDM-UHFFFAOYSA-N 0 0 333.294 2.535 10 5 EFBERN COC(=O)CCCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294698217 295210398 /nfs/dbraw/zinc/21/03/98/295210398.db2.gz KZUCIDDQLDHSLT-UHFFFAOYSA-N 0 0 348.277 2.687 10 5 EFBERN CNC(=O)C1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000294827053 295233390 /nfs/dbraw/zinc/23/33/90/295233390.db2.gz AHFQBEILYOMXKS-UHFFFAOYSA-N 0 0 328.372 2.860 10 5 EFBERN C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000294901284 295243268 /nfs/dbraw/zinc/24/32/68/295243268.db2.gz JGNWKRMCDHANNI-WFASDCNBSA-N 0 0 338.379 2.950 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000366984566 295254772 /nfs/dbraw/zinc/25/47/72/295254772.db2.gz VNZQLRGQUSCZKX-OAHLLOKOSA-N 0 0 344.371 2.704 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc(C2CC2)ccc1F ZINC000295023587 295259055 /nfs/dbraw/zinc/25/90/55/295259055.db2.gz VCJRYPNLKJEMCK-UHFFFAOYSA-N 0 0 330.319 2.717 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2OC)cc([N+](=O)[O-])c1 ZINC000295033553 295259727 /nfs/dbraw/zinc/25/97/27/295259727.db2.gz OTVCZWRDXFQITJ-KBPBESRZSA-N 0 0 336.344 2.525 10 5 EFBERN C[C@H]1C[C@@H](S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000295323095 295300689 /nfs/dbraw/zinc/30/06/89/295300689.db2.gz WOGMKUKQIHGJCR-WPRPVWTQSA-N 0 0 335.765 2.524 10 5 EFBERN COc1cccc(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000373733353 295306936 /nfs/dbraw/zinc/30/69/36/295306936.db2.gz YASJQWZLRAEOLM-DCGLDWPTSA-N 0 0 336.388 2.766 10 5 EFBERN CC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000295386632 295311377 /nfs/dbraw/zinc/31/13/77/295311377.db2.gz SUCAMPXBNWJHKM-BPUTZDHNSA-N 0 0 336.388 2.604 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]1O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295399124 295313165 /nfs/dbraw/zinc/31/31/65/295313165.db2.gz UKKFEBRWMKDLHU-QPUJVOFHSA-N 0 0 332.278 2.504 10 5 EFBERN CC(C)(NC(=O)c1cnc(C2CC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000295445325 295321770 /nfs/dbraw/zinc/32/17/70/295321770.db2.gz OPPNVPRKMWFWPK-UHFFFAOYSA-N 0 0 326.356 2.927 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H](O)C(F)F ZINC000295572779 295342794 /nfs/dbraw/zinc/34/27/94/295342794.db2.gz VVKICNGKJJPUOM-GXSJLCMTSA-N 0 0 336.722 2.691 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1=O ZINC000295666213 295357290 /nfs/dbraw/zinc/35/72/90/295357290.db2.gz FOCIBWGYTNEKPM-MRVPVSSYSA-N 0 0 330.262 2.665 10 5 EFBERN COC(=O)Cc1ccc(N2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000295678840 295359542 /nfs/dbraw/zinc/35/95/42/295359542.db2.gz LTQWUQNTSGOJAA-DZGCQCFKSA-N 0 0 340.326 2.792 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c2nonc21 ZINC000295701985 295363287 /nfs/dbraw/zinc/36/32/87/295363287.db2.gz JGBBWIZDCLQKMP-BXUZGUMPSA-N 0 0 341.327 2.858 10 5 EFBERN COC(=O)c1cc(N2CC[C@@H](OC)C(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000295703459 295363405 /nfs/dbraw/zinc/36/34/05/295363405.db2.gz JKLKVQRLUJZPOQ-CQSZACIVSA-N 0 0 336.388 2.941 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000295709684 295364387 /nfs/dbraw/zinc/36/43/87/295364387.db2.gz BONXJJWUJDJOJD-UHFFFAOYSA-N 0 0 346.391 2.520 10 5 EFBERN O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)C[C@H]2CCCC2(F)F)c1 ZINC000295791096 295376539 /nfs/dbraw/zinc/37/65/39/295376539.db2.gz VEHLMFNMMZDQHP-SNVBAGLBSA-N 0 0 349.311 2.551 10 5 EFBERN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000295899151 295393589 /nfs/dbraw/zinc/39/35/89/295393589.db2.gz ZCYKATLHCNMIBJ-INIZCTEOSA-N 0 0 328.368 2.891 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)c1[N+](=O)[O-] ZINC000295906715 295394743 /nfs/dbraw/zinc/39/47/43/295394743.db2.gz YBBXMZFKKKLRBX-IUCAKERBSA-N 0 0 334.298 2.867 10 5 EFBERN COC(=O)c1cc(N2CC[C@@H](O)CC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000296004934 295410291 /nfs/dbraw/zinc/41/02/91/295410291.db2.gz NBTSKOZXDKJLAW-CYBMUJFWSA-N 0 0 336.388 2.677 10 5 EFBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@@H]2C[C@H]1CS2 ZINC000458345657 295449486 /nfs/dbraw/zinc/44/94/86/295449486.db2.gz VTCAUENYXIAQCG-KBPBESRZSA-N 0 0 347.440 2.528 10 5 EFBERN Cn1ccnc1[C@H]1N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000296374025 295466297 /nfs/dbraw/zinc/46/62/97/295466297.db2.gz SWWLRAWSYLWZHO-CYBMUJFWSA-N 0 0 326.360 2.792 10 5 EFBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@]12CCOC2 ZINC000422088914 295560630 /nfs/dbraw/zinc/56/06/30/295560630.db2.gz MGSQLBCRFDTIJE-OAQYLSRUSA-N 0 0 348.402 2.546 10 5 EFBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@@]12CCOC2 ZINC000422061878 304577723 /nfs/dbraw/zinc/57/77/23/304577723.db2.gz BNFBWWSEYWZPDV-SFHVURJKSA-N 0 0 339.351 2.662 10 5 EFBERN C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000408171565 300050705 /nfs/dbraw/zinc/05/07/05/300050705.db2.gz LAUUFSCAISXBIN-XHDPSFHLSA-N 0 0 342.392 2.935 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCOC[C@@H]2c2noc(C(C)C)n2)n1 ZINC000359080537 301204403 /nfs/dbraw/zinc/20/44/03/301204403.db2.gz GBPABOIKPYSPPL-GFCCVEGCSA-N 0 0 347.375 2.691 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)n1 ZINC000362372720 301205773 /nfs/dbraw/zinc/20/57/73/301205773.db2.gz AMZNYIISZJXCEB-ZQIUZPCESA-N 0 0 335.404 2.769 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)n1 ZINC000362372718 301205908 /nfs/dbraw/zinc/20/59/08/301205908.db2.gz AMZNYIISZJXCEB-JKIFEVAISA-N 0 0 335.404 2.769 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CCOc3ccccc32)c1[N+](=O)[O-] ZINC000189246612 301552767 /nfs/dbraw/zinc/55/27/67/301552767.db2.gz ZMEOLRRXZNBORX-UHFFFAOYSA-N 0 0 348.380 2.799 10 5 EFBERN Cc1ccc([C@H]2CCCCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000127409238 301816376 /nfs/dbraw/zinc/81/63/76/301816376.db2.gz KERVARIAWASRMM-GFCCVEGCSA-N 0 0 332.360 2.906 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000105848095 302761483 /nfs/dbraw/zinc/76/14/83/302761483.db2.gz XVCSEGLQDOLADC-HNNXBMFYSA-N 0 0 328.372 2.922 10 5 EFBERN O=[N+]([O-])c1c(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)nc2sccn21 ZINC000450677496 304798275 /nfs/dbraw/zinc/79/82/75/304798275.db2.gz GOLJPOCQEMXNQH-UTUOFQBUSA-N 0 0 336.417 2.824 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCCC[C@@H]2CCCC[C@H]2O)c1 ZINC000134559723 310643386 /nfs/dbraw/zinc/64/33/86/310643386.db2.gz AHIROGBBYLAABH-BLLLJJGKSA-N 0 0 336.388 2.665 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000134628490 310644448 /nfs/dbraw/zinc/64/44/48/310644448.db2.gz ABUVTNHGSTXFJV-IUODEOHRSA-N 0 0 336.388 2.665 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000159952297 310693306 /nfs/dbraw/zinc/69/33/06/310693306.db2.gz PPKRKBHCKZXOOQ-SNVBAGLBSA-N 0 0 341.414 2.789 10 5 EFBERN CC(C)CCSc1ccc(C(=O)NC2(CO)CC2)cc1[N+](=O)[O-] ZINC000160469601 310699281 /nfs/dbraw/zinc/69/92/81/310699281.db2.gz YCXRIAIWBSWAQR-UHFFFAOYSA-N 0 0 338.429 2.988 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000160582321 310700761 /nfs/dbraw/zinc/70/07/61/310700761.db2.gz MRBNWIAAOGALJB-ZDUSSCGKSA-N 0 0 334.763 2.863 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(N(C)C)nc1 ZINC000162151845 310715721 /nfs/dbraw/zinc/71/57/21/310715721.db2.gz BHEDTXRNTWBVBL-UHFFFAOYSA-N 0 0 347.400 2.815 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cccc(F)c3C2)s1 ZINC000163016236 310723286 /nfs/dbraw/zinc/72/32/86/310723286.db2.gz DCRUOLFJUHLIDF-UHFFFAOYSA-N 0 0 342.373 2.542 10 5 EFBERN COC[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000170741891 310737399 /nfs/dbraw/zinc/73/73/99/310737399.db2.gz NCZJIMKQCMYWOS-OAHLLOKOSA-N 0 0 329.356 2.782 10 5 EFBERN O=C(NC[C@@H](O)C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000170804991 310737927 /nfs/dbraw/zinc/73/79/27/310737927.db2.gz FZIYFNUPMNPXLZ-MRXNPFEDSA-N 0 0 331.372 2.747 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(c1)OCO2 ZINC000171447306 310747886 /nfs/dbraw/zinc/74/78/86/310747886.db2.gz ZVSWWWLKRBHGPZ-JTQLQIEISA-N 0 0 326.308 2.915 10 5 EFBERN Cc1cnc(CCN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000179124109 310782035 /nfs/dbraw/zinc/78/20/35/310782035.db2.gz NGCGGELOSBLKEP-UHFFFAOYSA-N 0 0 334.401 2.744 10 5 EFBERN CC1(C)OCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000296418214 310817258 /nfs/dbraw/zinc/81/72/58/310817258.db2.gz MSCRBSJKWVVXGK-NSHDSACASA-N 0 0 345.302 2.885 10 5 EFBERN COc1ccc(CNC(=O)N2CCC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000296481390 310824874 /nfs/dbraw/zinc/82/48/74/310824874.db2.gz XLLCMIRUACQLHN-OAHLLOKOSA-N 0 0 325.340 2.637 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000297032014 310844437 /nfs/dbraw/zinc/84/44/37/310844437.db2.gz NRPMOMFGZUEYPR-RHSMWYFYSA-N 0 0 341.367 2.948 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000297174070 310861773 /nfs/dbraw/zinc/86/17/73/310861773.db2.gz WUBLQMMKGXYKJH-RHSMWYFYSA-N 0 0 341.367 2.948 10 5 EFBERN C[C@H](NC(=O)NC[C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000297447314 310895613 /nfs/dbraw/zinc/89/56/13/310895613.db2.gz BJXZURQJGCDTJM-BBRMVZONSA-N 0 0 343.383 2.731 10 5 EFBERN O=C(N[C@H]1CCC[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000298507863 310997349 /nfs/dbraw/zinc/99/73/49/310997349.db2.gz VUALFEMTKJBRRG-KOLCDFICSA-N 0 0 346.305 2.895 10 5 EFBERN CCCN(C(=O)C[C@H]1CCOC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000298643735 311010593 /nfs/dbraw/zinc/01/05/93/311010593.db2.gz NVANYNQQXZADTB-CJNGLKHVSA-N 0 0 336.388 2.779 10 5 EFBERN Cc1ccc(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000298842231 311027700 /nfs/dbraw/zinc/02/77/00/311027700.db2.gz ICBKSODHCBAJBP-UHFFFAOYSA-N 0 0 345.355 2.710 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000298891170 311032145 /nfs/dbraw/zinc/03/21/45/311032145.db2.gz MBWJMEFNIRPJDT-HZPDHXFCSA-N 0 0 349.431 2.768 10 5 EFBERN C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000298960893 311037557 /nfs/dbraw/zinc/03/75/57/311037557.db2.gz LBYBXIPVEXHTHW-CQSZACIVSA-N 0 0 333.413 2.559 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCC[C@H](CO)C1 ZINC000299149460 311056231 /nfs/dbraw/zinc/05/62/31/311056231.db2.gz YRCRWLZJZDBCME-CMPLNLGQSA-N 0 0 341.795 2.599 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000299153090 311057049 /nfs/dbraw/zinc/05/70/49/311057049.db2.gz UEPHXURASVZTPH-CQSZACIVSA-N 0 0 334.763 2.639 10 5 EFBERN O=[N+]([O-])c1ccc(NC2CCN(CC(F)(F)F)CC2)c2nonc21 ZINC000299366713 311077209 /nfs/dbraw/zinc/07/72/09/311077209.db2.gz XOEGFSNEKHJBAM-UHFFFAOYSA-N 0 0 345.281 2.570 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000299602531 311101575 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/nfs/dbraw/zinc/17/30/62/311173062.db2.gz HMFXLLOOCRCKHN-SFHVURJKSA-N 0 0 328.368 2.839 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ncc(Cl)n2C)c1 ZINC000302028798 311173066 /nfs/dbraw/zinc/17/30/66/311173066.db2.gz HSZNRXGNJBAAOK-UHFFFAOYSA-N 0 0 328.731 2.766 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000302029450 311173413 /nfs/dbraw/zinc/17/34/13/311173413.db2.gz JIKBEORMILRZEQ-LJQANCHMSA-N 0 0 340.379 2.765 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)CN(c1cc(CO)ccc1[N+](=O)[O-])CC2 ZINC000302030304 311173461 /nfs/dbraw/zinc/17/34/61/311173461.db2.gz JQQOXJLEXZOMGE-UHFFFAOYSA-N 0 0 329.312 2.558 10 5 EFBERN Cc1cc(N[C@@H](C)c2nc[nH]n2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000302031957 311173503 /nfs/dbraw/zinc/17/35/03/311173503.db2.gz KKSPPHJFHVSWNE-JTQLQIEISA-N 0 0 325.332 2.651 10 5 EFBERN Cc1nc2c(s1)[C@@H](Nc1ccc3ncc([N+](=O)[O-])n3n1)CCC2 ZINC000302038603 311174059 /nfs/dbraw/zinc/17/40/59/311174059.db2.gz QNGXRTTUSBASHA-JTQLQIEISA-N 0 0 330.373 2.892 10 5 EFBERN CCc1nccn1[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302039880 311174122 /nfs/dbraw/zinc/17/41/22/311174122.db2.gz NGOFLVLPFJHKMF-AWEZNQCLSA-N 0 0 330.388 2.688 10 5 EFBERN C[C@H](O)CN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302049033 311174607 /nfs/dbraw/zinc/17/46/07/311174607.db2.gz WMRZJLBWFGQVLX-ZJUUUORDSA-N 0 0 348.230 2.793 10 5 EFBERN Cc1cc(N2CCC[C@@H](C(=O)N(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302048426 311174837 /nfs/dbraw/zinc/17/48/37/311174837.db2.gz ZEWWROKKCYRSGA-CYBMUJFWSA-N 0 0 342.399 2.756 10 5 EFBERN C[C@H](Nc1cc(CO)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000302055703 311175124 /nfs/dbraw/zinc/17/51/24/311175124.db2.gz QLCLTJSWSKPLNO-LBPRGKRZSA-N 0 0 339.355 2.841 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2n[nH]c(C(C)(C)C)n2)c1 ZINC000302061117 311175484 /nfs/dbraw/zinc/17/54/84/311175484.db2.gz BMCGTTXGYSAXBU-UHFFFAOYSA-N 0 0 336.373 2.948 10 5 EFBERN CC1(C)C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C(C)(C)O1 ZINC000302061615 311175699 /nfs/dbraw/zinc/17/56/99/311175699.db2.gz RKGCJRBUFSIDDX-CYBMUJFWSA-N 0 0 335.360 2.684 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3ccc(OC)cc3C2)c1 ZINC000302073013 311176306 /nfs/dbraw/zinc/17/63/06/311176306.db2.gz FVTPPJHKRTXBFT-UHFFFAOYSA-N 0 0 342.351 2.953 10 5 EFBERN COC(=O)[C@@]12CCC[C@H]1CN(c1cc(OC)c([N+](=O)[O-])cc1F)C2 ZINC000302132762 311179573 /nfs/dbraw/zinc/17/95/73/311179573.db2.gz CHUUSQWKCAKBKJ-MGPLVRAMSA-N 0 0 338.335 2.522 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(C3CCC3)n2C)c1 ZINC000302140634 311180103 /nfs/dbraw/zinc/18/01/03/311180103.db2.gz FFNKMAITXZLJNL-UHFFFAOYSA-N 0 0 348.384 2.929 10 5 EFBERN Cc1ccc(CNc2ncc([N+](=O)[O-])cn2)c(OC[C@@H]2CCOC2)c1 ZINC000302166617 311181925 /nfs/dbraw/zinc/18/19/25/311181925.db2.gz RSLOKZYAABEVGA-CYBMUJFWSA-N 0 0 344.371 2.721 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C(C)=O)c(C)n2)c1 ZINC000302169876 311181977 /nfs/dbraw/zinc/18/19/77/311181977.db2.gz LTZSKTPQMOOLKQ-UHFFFAOYSA-N 0 0 343.339 2.900 10 5 EFBERN COc1cc(N[C@@H]2CCCN(c3cccnc3)C2=O)ccc1[N+](=O)[O-] ZINC000302168442 311182065 /nfs/dbraw/zinc/18/20/65/311182065.db2.gz PJYZSHLPTRGOOA-CQSZACIVSA-N 0 0 342.355 2.606 10 5 EFBERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])c3cccnc31)C2 ZINC000302175129 311182656 /nfs/dbraw/zinc/18/26/56/311182656.db2.gz MSXSDAUYHVGMRM-XIKOKIGWSA-N 0 0 341.367 2.923 10 5 EFBERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])c3cnccc31)C2 ZINC000302184802 311183210 /nfs/dbraw/zinc/18/32/10/311183210.db2.gz PADYKJHLCIJCJC-XIKOKIGWSA-N 0 0 341.367 2.923 10 5 EFBERN CCOc1cc(N2C[C@@H]3CCC[C@@]3(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000302197819 311183830 /nfs/dbraw/zinc/18/38/30/311183830.db2.gz TUWYQCVXGZTNHY-YVEFUNNKSA-N 0 0 334.372 2.773 10 5 EFBERN CCC1(CC)CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000302225667 311186021 /nfs/dbraw/zinc/18/60/21/311186021.db2.gz RVSSQZICGIAGEW-QHCPKHFHSA-N 0 0 344.408 2.870 10 5 EFBERN O=[N+]([O-])c1cc(F)c(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c(F)c1 ZINC000302431758 311189728 /nfs/dbraw/zinc/18/97/28/311189728.db2.gz OXUDQLALILSIPL-UHFFFAOYSA-N 0 0 349.341 2.800 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000302439869 311190122 /nfs/dbraw/zinc/19/01/22/311190122.db2.gz QFDNZBYIPKRFSW-UHFFFAOYSA-N 0 0 348.794 2.570 10 5 EFBERN Cc1ccc(N2CCC[C@H](c3nc(N(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC000302445437 311190251 /nfs/dbraw/zinc/19/02/51/311190251.db2.gz NYKSCKRAMWWCSD-LBPRGKRZSA-N 0 0 331.376 2.736 10 5 EFBERN CC1(C)CC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])O1 ZINC000302464379 311190761 /nfs/dbraw/zinc/19/07/61/311190761.db2.gz VCDLPSIKJGYWQC-CYBMUJFWSA-N 0 0 333.388 2.857 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1(O)CCCC(C)(C)C1 ZINC000302507690 311191970 /nfs/dbraw/zinc/19/19/70/311191970.db2.gz RGEOELXKKALQIE-QGZVFWFLSA-N 0 0 335.404 2.698 10 5 EFBERN O=c1ccn(-c2nn3cc(C4CCCC4)nc3s2)cc1[N+](=O)[O-] ZINC000302508829 311192092 /nfs/dbraw/zinc/19/20/92/311192092.db2.gz FNFMUHBUZZYQKD-UHFFFAOYSA-N 0 0 331.357 2.508 10 5 EFBERN CO[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1C ZINC000302553327 311193081 /nfs/dbraw/zinc/19/30/81/311193081.db2.gz KOUNZLQNWMHFLC-KWQFWETISA-N 0 0 330.182 2.614 10 5 EFBERN CO[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@H]1C ZINC000302553328 311193090 /nfs/dbraw/zinc/19/30/90/311193090.db2.gz KOUNZLQNWMHFLC-LDYMZIIASA-N 0 0 330.182 2.614 10 5 EFBERN COC(=O)c1cnc(NC[C@@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302661431 311195447 /nfs/dbraw/zinc/19/54/47/311195447.db2.gz BBYPGCYXWUHDIL-GXTWGEPZSA-N 0 0 327.340 2.992 10 5 EFBERN Cc1nc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000302715333 311197638 /nfs/dbraw/zinc/19/76/38/311197638.db2.gz JEZTUGRTPHSGQI-CQSZACIVSA-N 0 0 344.346 2.650 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3ccc(F)c(F)c3)cc2N1 ZINC000302762103 311199748 /nfs/dbraw/zinc/19/97/48/311199748.db2.gz KMFZCESKFAFGIC-UHFFFAOYSA-N 0 0 349.293 2.859 10 5 EFBERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000302771149 311200193 /nfs/dbraw/zinc/20/01/93/311200193.db2.gz MYUHKIPXEOXOQP-DVYJOKAKSA-N 0 0 326.299 2.651 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCCC[C@H]1CN1CCOCC1 ZINC000302774139 311200375 /nfs/dbraw/zinc/20/03/75/311200375.db2.gz NZJYIJQAFNCRKP-AWEZNQCLSA-N 0 0 339.823 2.939 10 5 EFBERN COC(=O)c1cnc(NCc2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000302784174 311201217 /nfs/dbraw/zinc/20/12/17/311201217.db2.gz UOSQRHBJNGFOBO-UHFFFAOYSA-N 0 0 335.291 2.536 10 5 EFBERN O=C(c1ccncc1)N1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302818833 311202709 /nfs/dbraw/zinc/20/27/09/311202709.db2.gz NMAZTAJCBZJCJZ-UHFFFAOYSA-N 0 0 344.346 2.846 10 5 EFBERN CCO[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000302821815 311202964 /nfs/dbraw/zinc/20/29/64/311202964.db2.gz KKDSKPNCIDUAFK-CYBMUJFWSA-N 0 0 327.344 2.827 10 5 EFBERN COC(=O)c1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000302861346 311204909 /nfs/dbraw/zinc/20/49/09/311204909.db2.gz VEGUEGNEKFYNJO-UHFFFAOYSA-N 0 0 327.340 2.962 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1NCCCc1nnc3ccccn31)CCN2 ZINC000302886118 311206641 /nfs/dbraw/zinc/20/66/41/311206641.db2.gz MWYCSIGAWDJAMG-UHFFFAOYSA-N 0 0 338.371 2.650 10 5 EFBERN CC[C@@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303824239 311210330 /nfs/dbraw/zinc/21/03/30/311210330.db2.gz KNRGKBOVJIDTSH-NEPJUHHUSA-N 0 0 342.417 2.851 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC000305207310 311220133 /nfs/dbraw/zinc/22/01/33/311220133.db2.gz GLIUINDJWQKMGG-CXAGYDPISA-N 0 0 328.368 2.625 10 5 EFBERN Cc1ccc(OC[C@@H](O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000305455300 311223156 /nfs/dbraw/zinc/22/31/56/311223156.db2.gz SVQSFRHOPMVWIZ-INIZCTEOSA-N 0 0 342.395 2.701 10 5 EFBERN Cc1ccccc1OC[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000305443224 311223201 /nfs/dbraw/zinc/22/32/01/311223201.db2.gz NXTBCRVYRRTTHD-INIZCTEOSA-N 0 0 342.395 2.701 10 5 EFBERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000330875673 311340368 /nfs/dbraw/zinc/34/03/68/311340368.db2.gz UPPNWXKMZSGHCO-MEBBXXQBSA-N 0 0 326.418 2.963 10 5 EFBERN COc1cc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000330924831 311344105 /nfs/dbraw/zinc/34/41/05/311344105.db2.gz UYNUATXEVGARCJ-WFASDCNBSA-N 0 0 340.395 2.971 10 5 EFBERN C[C@H](O)CCN(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330932300 311344530 /nfs/dbraw/zinc/34/45/30/311344530.db2.gz XQAKLJSXTKIMLY-KGLIPLIRSA-N 0 0 349.431 2.674 10 5 EFBERN CC[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000331113809 311355020 /nfs/dbraw/zinc/35/50/20/311355020.db2.gz JMTTYLHLNOPPTP-JTQLQIEISA-N 0 0 330.356 2.770 10 5 EFBERN CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O ZINC000331144860 311357387 /nfs/dbraw/zinc/35/73/87/311357387.db2.gz LXOFUCGLZHUEQJ-UHFFFAOYSA-N 0 0 344.408 2.523 10 5 EFBERN CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000331339904 311367970 /nfs/dbraw/zinc/36/79/70/311367970.db2.gz RZHBRHYZFLZUAT-RNCFNFMXSA-N 0 0 346.305 2.847 10 5 EFBERN CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000331339905 311367982 /nfs/dbraw/zinc/36/79/82/311367982.db2.gz RZHBRHYZFLZUAT-TVQRCGJNSA-N 0 0 346.305 2.847 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3cc(F)ccc32)c1 ZINC000337959643 311707569 /nfs/dbraw/zinc/70/75/69/311707569.db2.gz KLNBHHNNNWDCRQ-UHFFFAOYSA-N 0 0 336.344 2.626 10 5 EFBERN O=C1N[C@@H](CC2CC2)C(=O)N1CCCCc1ccc([N+](=O)[O-])cc1 ZINC000349423789 311773143 /nfs/dbraw/zinc/77/31/43/311773143.db2.gz NDNSBCDXKKQLRY-HNNXBMFYSA-N 0 0 331.372 2.638 10 5 EFBERN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(C[C@H]4CCCO4)no3)n2)cc1 ZINC000349840695 311781230 /nfs/dbraw/zinc/78/12/30/311781230.db2.gz KOZKKJJEVXMWDX-CYBMUJFWSA-N 0 0 341.327 2.552 10 5 EFBERN O=c1[nH]cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c2ccccc12 ZINC000350164481 311789325 /nfs/dbraw/zinc/78/93/25/311789325.db2.gz GFETYRONGCHNJF-UHFFFAOYSA-N 0 0 349.306 2.884 10 5 EFBERN COC(=O)c1cc(-c2nc([C@H]3CCOC[C@H]3C)no2)cc([N+](=O)[O-])c1 ZINC000350590235 311810705 /nfs/dbraw/zinc/81/07/05/311810705.db2.gz HRRWLXDEJGSSMH-RNCFNFMXSA-N 0 0 347.327 2.571 10 5 EFBERN C[C@@H]1COCC[C@H]1c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000350603972 311812299 /nfs/dbraw/zinc/81/22/99/311812299.db2.gz WFSVRXLEZINQJW-VXGBXAGGSA-N 0 0 332.360 2.754 10 5 EFBERN Cn1c(=O)[nH]c2cc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)ccc21 ZINC000350830671 311827162 /nfs/dbraw/zinc/82/71/62/311827162.db2.gz BRKPPWDTWJAENE-UHFFFAOYSA-N 0 0 343.324 2.966 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(-c3cccc(-n4cncn4)c3)n2)s1 ZINC000350837836 311827578 /nfs/dbraw/zinc/82/75/78/311827578.db2.gz OOUKUIQFTPXPTQ-UHFFFAOYSA-N 0 0 340.324 2.954 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(CCOCC(C)C)n2)c1 ZINC000350884748 311831485 /nfs/dbraw/zinc/83/14/85/311831485.db2.gz BJTZCAFWHHEJNZ-UHFFFAOYSA-N 0 0 335.360 2.792 10 5 EFBERN COc1cc(OCc2nc(-c3cncs3)no2)ccc1[N+](=O)[O-] ZINC000350910014 311833246 /nfs/dbraw/zinc/83/32/46/311833246.db2.gz MBGVUVRXIAKZEA-UHFFFAOYSA-N 0 0 334.313 2.689 10 5 EFBERN C[C@@H]1CC[C@@H](c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000350975374 311839662 /nfs/dbraw/zinc/83/96/62/311839662.db2.gz CBERVRDFZMUSKE-DGCLKSJQSA-N 0 0 344.371 2.740 10 5 EFBERN C[C@H]1CC[C@H](c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000350975373 311839695 /nfs/dbraw/zinc/83/96/95/311839695.db2.gz CBERVRDFZMUSKE-AAEUAGOBSA-N 0 0 344.371 2.740 10 5 EFBERN CCC(CC)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350979881 311839925 /nfs/dbraw/zinc/83/99/25/311839925.db2.gz CAVJLAXEMPOWDW-UHFFFAOYSA-N 0 0 332.360 2.740 10 5 EFBERN CC[C@]1(C)C[C@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000351002400 311842653 /nfs/dbraw/zinc/84/26/53/311842653.db2.gz YJQJLFXXZVPXAD-SUMWQHHRSA-N 0 0 344.371 2.740 10 5 EFBERN Cc1c(-c2noc(CO[C@@H](C)c3nccn3C)n2)cccc1[N+](=O)[O-] ZINC000351152925 311859318 /nfs/dbraw/zinc/85/93/18/311859318.db2.gz XNLRMGJSYOEPAX-NSHDSACASA-N 0 0 343.343 2.965 10 5 EFBERN COC(C)(C)Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000351171021 311860892 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O=C(NCC[C@@H]1CCOC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450573635 312710944 /nfs/dbraw/zinc/71/09/44/312710944.db2.gz WXJYOBAQRONVCI-SECBINFHSA-N 0 0 332.278 2.770 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCc2ccccc21 ZINC000450600214 312718932 /nfs/dbraw/zinc/71/89/32/312718932.db2.gz RMUBKLFRVWZHBB-LBPRGKRZSA-N 0 0 326.356 2.621 10 5 EFBERN O=C([C@H]1CCCCC1(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450633254 312725384 /nfs/dbraw/zinc/72/53/84/312725384.db2.gz YGUJYWYGEHFDPJ-GFCCVEGCSA-N 0 0 325.315 2.700 10 5 EFBERN O=[N+]([O-])c1cccc2c(N3C[C@H](O)C[C@H]3[C@H]3CCCOC3)ccnc21 ZINC000450650083 312730498 /nfs/dbraw/zinc/73/04/98/312730498.db2.gz MTVFUCOMPOSGGZ-AHIWAGSCSA-N 0 0 343.383 2.509 10 5 EFBERN CC(C)[C@H]1C[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCO1 ZINC000450736127 312735727 /nfs/dbraw/zinc/73/57/27/312735727.db2.gz HSNKYMBJYMYJTB-IAQYHMDHSA-N 0 0 346.387 2.529 10 5 EFBERN CC(C)[C@H]1C[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)CCO1 ZINC000450735904 312735839 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O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000450878863 312765452 /nfs/dbraw/zinc/76/54/52/312765452.db2.gz JRKSWJGOUFGEMM-ZANVPECISA-N 0 0 341.289 2.893 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c2ncccc21 ZINC000450884713 312766659 /nfs/dbraw/zinc/76/66/59/312766659.db2.gz SSAMHZWMCIOCPZ-XPTSAGLGSA-N 0 0 341.289 2.893 10 5 EFBERN O=[N+]([O-])c1cccc2c1nccc2N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000450883304 312766766 /nfs/dbraw/zinc/76/67/66/312766766.db2.gz PPGUJCWSEMJICG-XPTSAGLGSA-N 0 0 341.289 2.893 10 5 EFBERN C[C@@](CO)(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000451043238 312804631 /nfs/dbraw/zinc/80/46/31/312804631.db2.gz SCLDRCLDSMAINU-INIZCTEOSA-N 0 0 336.775 2.951 10 5 EFBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]1C1CC1 ZINC000452980028 312841758 /nfs/dbraw/zinc/84/17/58/312841758.db2.gz CTKUSBWXFBDZPN-LLVKDONJSA-N 0 0 325.162 2.982 10 5 EFBERN CCn1nnc(C)c1CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000453108753 312863996 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EFBERN COc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000456096503 313026155 /nfs/dbraw/zinc/02/61/55/313026155.db2.gz IBTJOGIKTCZXLW-JGGQBBKZSA-N 0 0 348.399 2.759 10 5 EFBERN CNc1c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000456105901 313028953 /nfs/dbraw/zinc/02/89/53/313028953.db2.gz MVMSLEJFRYRLOV-XNRPHZJLSA-N 0 0 347.415 2.792 10 5 EFBERN CNc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000456105898 313029219 /nfs/dbraw/zinc/02/92/19/313029219.db2.gz MVMSLEJFRYRLOV-JGGQBBKZSA-N 0 0 347.415 2.792 10 5 EFBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000456110148 313029731 /nfs/dbraw/zinc/02/97/31/313029731.db2.gz DQVVWZIQORLXRA-VHSXEESVSA-N 0 0 348.325 2.716 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@H](OCC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456129524 313033533 /nfs/dbraw/zinc/03/35/33/313033533.db2.gz BUUZWDQJHQIATL-WFASDCNBSA-N 0 0 336.388 2.881 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@@H](OCC)[C@@H](C)C2)cc1[N+](=O)[O-] 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Cc1cc(NCCNC(=O)c2csc([N+](=O)[O-])c2)nc(C(C)C)n1 ZINC000600363903 468540562 /nfs/dbraw/zinc/54/05/62/468540562.db2.gz CXUUFHNMKMBEKY-UHFFFAOYSA-N 0 0 349.416 2.720 10 5 EFBERN CCO[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C(C)C ZINC000600817837 468665697 /nfs/dbraw/zinc/66/56/97/468665697.db2.gz YKFUKZVLXZWNLR-HNNXBMFYSA-N 0 0 332.360 2.985 10 5 EFBERN C[C@](O)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000190519962 473305323 /nfs/dbraw/zinc/30/53/23/473305323.db2.gz DHXKHWNTBCMWSJ-KRWDZBQOSA-N 0 0 346.387 2.532 10 5 EFBERN O=[N+]([O-])c1cnc(NCCC2(O)CCN(c3ccccc3)CC2)s1 ZINC000601223446 468787406 /nfs/dbraw/zinc/78/74/06/468787406.db2.gz BRKQLHQFQJSAEF-UHFFFAOYSA-N 0 0 348.428 2.885 10 5 EFBERN C[C@H](NCc1cc(-c2cnn(C)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000185051738 473313173 /nfs/dbraw/zinc/31/31/73/473313173.db2.gz UEEOODGGVWZONK-NSHDSACASA-N 0 0 327.344 2.834 10 5 EFBERN COc1cc(C(=O)NC[C@](C)(O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000190554281 473317480 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COc1ccc(OC[C@H](O)COc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000190671483 473356225 /nfs/dbraw/zinc/35/62/25/473356225.db2.gz OUCYMVCKVDAZID-CYBMUJFWSA-N 0 0 333.340 2.731 10 5 EFBERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150818236 473361154 /nfs/dbraw/zinc/36/11/54/473361154.db2.gz HKWBEMMINWZHFR-LBPRGKRZSA-N 0 0 342.417 2.947 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1[N+](=O)[O-] ZINC000171368581 473372700 /nfs/dbraw/zinc/37/27/00/473372700.db2.gz DIPVEMIUXFTWHX-QMMMGPOBSA-N 0 0 336.323 2.519 10 5 EFBERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125232317 473378684 /nfs/dbraw/zinc/37/86/84/473378684.db2.gz FJQHDCRLGADJNT-GXTWGEPZSA-N 0 0 345.403 2.827 10 5 EFBERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162828577 473387580 /nfs/dbraw/zinc/38/75/80/473387580.db2.gz KYWUUIOKJHLPKE-CYBMUJFWSA-N 0 0 348.403 2.816 10 5 EFBERN CCc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)no1 ZINC000610076001 469978655 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472700735 /nfs/dbraw/zinc/70/07/35/472700735.db2.gz ULGYMDDJKLPGMD-UHFFFAOYSA-N 0 0 342.399 2.581 10 5 EFBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078372324 472705466 /nfs/dbraw/zinc/70/54/66/472705466.db2.gz KWCOQJDCJGFASZ-CHWSQXEVSA-N 0 0 329.356 2.954 10 5 EFBERN Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@@H]3CC=CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000078371866 472705780 /nfs/dbraw/zinc/70/57/80/472705780.db2.gz PFGRFMZUYJOFMN-TXEJJXNPSA-N 0 0 333.344 2.706 10 5 EFBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078372326 472706001 /nfs/dbraw/zinc/70/60/01/472706001.db2.gz KWCOQJDCJGFASZ-STQMWFEESA-N 0 0 329.356 2.954 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccn(C2CCCC2)n1 ZINC000156446476 472708817 /nfs/dbraw/zinc/70/88/17/472708817.db2.gz XDJVNCNQTOKQLO-UHFFFAOYSA-N 0 0 344.371 2.602 10 5 EFBERN O=c1[nH]cnc2cc(N3CCC4(C3)CCCCC4)c([N+](=O)[O-])cc21 ZINC000078410992 472711187 /nfs/dbraw/zinc/71/11/87/472711187.db2.gz JCMFXPDVDCVQTQ-UHFFFAOYSA-N 0 0 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COc1ccc2c(c1)OC[C@H](C(=O)N(C)c1cccc([N+](=O)[O-])c1)C2 ZINC000158409272 472933180 /nfs/dbraw/zinc/93/31/80/472933180.db2.gz UTBIFMKHSMWFSZ-CYBMUJFWSA-N 0 0 342.351 2.818 10 5 EFBERN CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCS(=O)CC1 ZINC000092664509 472957467 /nfs/dbraw/zinc/95/74/67/472957467.db2.gz GALBCRNPKHXRRO-UHFFFAOYSA-N 0 0 334.344 2.544 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2nncn2C(C)C)c([N+](=O)[O-])c1 ZINC000074258835 472971683 /nfs/dbraw/zinc/97/16/83/472971683.db2.gz QWQNZEWDXUEPPJ-FNORWQNLSA-N 0 0 345.359 2.566 10 5 EFBERN CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000065562368 472976507 /nfs/dbraw/zinc/97/65/07/472976507.db2.gz KGJDAINFBBLTCW-OAHLLOKOSA-N 0 0 333.319 2.931 10 5 EFBERN CC(=O)c1ccc(C)c(C)c1OC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000065565853 472977481 /nfs/dbraw/zinc/97/74/81/472977481.db2.gz OXVSIIBTNWQJAF-UHFFFAOYSA-N 0 0 345.355 2.833 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000092756973 472981347 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EFBERN CCc1nn(C)c(OC)c1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000092962222 473013194 /nfs/dbraw/zinc/01/31/94/473013194.db2.gz CBJDDPHYKQYWDF-UHFFFAOYSA-N 0 0 338.339 2.659 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCCc2ccc(F)cc21 ZINC000092976419 473014879 /nfs/dbraw/zinc/01/48/79/473014879.db2.gz ZWROTNWOLUCZPN-CQSZACIVSA-N 0 0 330.319 2.717 10 5 EFBERN Cc1cc(N2CC[C@H](C)[C@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092977433 473015117 /nfs/dbraw/zinc/01/51/17/473015117.db2.gz OWTKZJFTIJTYOW-XHDPSFHLSA-N 0 0 328.372 2.567 10 5 EFBERN Cc1cc(N2CC[C@@H](C)[C@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092977434 473015408 /nfs/dbraw/zinc/01/54/08/473015408.db2.gz OWTKZJFTIJTYOW-IAQYHMDHSA-N 0 0 328.372 2.567 10 5 EFBERN CCN(CCc1nccs1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000159311288 473017942 /nfs/dbraw/zinc/01/79/42/473017942.db2.gz LADWYVPSQNQMNZ-UHFFFAOYSA-N 0 0 348.428 2.863 10 5 EFBERN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000065859346 473019635 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CN(C(=O)Cn1c(=O)sc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000074783517 473064099 /nfs/dbraw/zinc/06/40/99/473064099.db2.gz OWQYIWOACDGFKI-UHFFFAOYSA-N 0 0 343.364 2.634 10 5 EFBERN COc1cccc2c1CC[C@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000159902287 473071322 /nfs/dbraw/zinc/07/13/22/473071322.db2.gz CVAXDOGLGLRNDE-OAHLLOKOSA-N 0 0 327.340 2.724 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000159919488 473072989 /nfs/dbraw/zinc/07/29/89/473072989.db2.gz DSXXUSMJQCEVHQ-SNVBAGLBSA-N 0 0 341.414 2.789 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066335933 473076437 /nfs/dbraw/zinc/07/64/37/473076437.db2.gz LWOGKQVZGHUCGE-DZGCQCFKSA-N 0 0 340.335 2.652 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCO[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000051995993 473077560 /nfs/dbraw/zinc/07/75/60/473077560.db2.gz KPGNJRASZDWHGY-JKSUJKDBSA-N 0 0 334.372 2.605 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(F)ccc1OC(C)C ZINC000066432960 473094267 /nfs/dbraw/zinc/09/42/67/473094267.db2.gz RHHSLTCGFMESDZ-UHFFFAOYSA-N 0 0 336.323 2.665 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000123137546 473102160 /nfs/dbraw/zinc/10/21/60/473102160.db2.gz NFGMRHXJSGZGBB-AWEZNQCLSA-N 0 0 345.359 2.706 10 5 EFBERN Cc1nccn1-c1ccc([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000080927748 473104019 /nfs/dbraw/zinc/10/40/19/473104019.db2.gz IOOKECBNMKHYMX-LLVKDONJSA-N 0 0 326.360 2.996 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000080939025 473106003 /nfs/dbraw/zinc/10/60/03/473106003.db2.gz AQBUQGIBFNFMRZ-UHFFFAOYSA-N 0 0 342.330 2.891 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnccc1CO ZINC000135730344 473109451 /nfs/dbraw/zinc/10/94/51/473109451.db2.gz TUCGEWLOHKYQCW-JTQLQIEISA-N 0 0 333.369 2.601 10 5 EFBERN O=[N+]([O-])c1ncn(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)n1 ZINC000109613796 473110763 /nfs/dbraw/zinc/11/07/63/473110763.db2.gz YRDUXANFINZPBN-UHFFFAOYSA-N 0 0 348.322 2.952 10 5 EFBERN CCOC(=O)C(C)(C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000066545171 473110775 /nfs/dbraw/zinc/11/07/75/473110775.db2.gz XANSWTYTLBWASZ-SNVBAGLBSA-N 0 0 340.401 2.533 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC=C(c2ccccc2F)CC1 ZINC000160361499 473112375 /nfs/dbraw/zinc/11/23/75/473112375.db2.gz VBGLLQUMDBXLCI-UHFFFAOYSA-N 0 0 344.346 2.636 10 5 EFBERN CCS(=O)(=O)c1cccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 ZINC000135818280 473113652 /nfs/dbraw/zinc/11/36/52/473113652.db2.gz NHIYQYIYRHYZSY-UHFFFAOYSA-N 0 0 348.380 2.665 10 5 EFBERN COC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000123270652 473119452 /nfs/dbraw/zinc/11/94/52/473119452.db2.gz IJVXSNAJHMMLQH-SNVBAGLBSA-N 0 0 344.314 2.581 10 5 EFBERN CC(C)CC(=O)N[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000052578773 473126753 /nfs/dbraw/zinc/12/67/53/473126753.db2.gz NCRWQAUXBMQBNZ-KRWDZBQOSA-N 0 0 349.431 2.740 10 5 EFBERN CC(C)CC[C@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000075130167 473134744 /nfs/dbraw/zinc/13/47/44/473134744.db2.gz MLRVDACBTNIJEG-KRWDZBQOSA-N 0 0 337.420 2.700 10 5 EFBERN O=[N+]([O-])C1C[C@@H]1c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 ZINC000075136581 473136859 /nfs/dbraw/zinc/13/68/59/473136859.db2.gz LHHLJCNZVGVKLK-FZMZJTMJSA-N 0 0 348.322 2.603 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000052712156 473140691 /nfs/dbraw/zinc/14/06/91/473140691.db2.gz VCGMWMDYMQTEAA-GFCCVEGCSA-N 0 0 347.371 2.964 10 5 EFBERN Cc1c(C(=O)N2C[C@@H](C)CC[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000075277894 473159872 /nfs/dbraw/zinc/15/98/72/473159872.db2.gz NLIYFZCCECEOTK-NWDGAFQWSA-N 0 0 343.387 2.745 10 5 EFBERN COC(=O)CCCCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052895044 473160749 /nfs/dbraw/zinc/16/07/49/473160749.db2.gz WZXMTEMLCFSKJV-UHFFFAOYSA-N 0 0 333.344 2.539 10 5 EFBERN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000066856807 473164968 /nfs/dbraw/zinc/16/49/68/473164968.db2.gz RLXITVCANRYVGH-LLVKDONJSA-N 0 0 346.387 2.728 10 5 EFBERN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000081259154 473168902 /nfs/dbraw/zinc/16/89/02/473168902.db2.gz AAATWGPBVSPXFQ-HNNXBMFYSA-N 0 0 330.388 2.755 10 5 EFBERN COC[C@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000075366792 473176659 /nfs/dbraw/zinc/17/66/59/473176659.db2.gz ZYLOWAIQDTZOSM-AWEZNQCLSA-N 0 0 348.330 2.860 10 5 EFBERN COC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000075367562 473176864 /nfs/dbraw/zinc/17/68/64/473176864.db2.gz IHJDMLIWBNTVJD-INIZCTEOSA-N 0 0 348.330 2.617 10 5 EFBERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ncccc1[N+](=O)[O-] ZINC000095075436 473187709 /nfs/dbraw/zinc/18/77/09/473187709.db2.gz LZWYCWUUURZCBI-LBPRGKRZSA-N 0 0 336.392 2.683 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000095083318 473188751 /nfs/dbraw/zinc/18/87/51/473188751.db2.gz XYYKRTQFXWKKAT-LLVKDONJSA-N 0 0 348.359 2.859 10 5 EFBERN CC(C)c1nc([C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000137017216 473190931 /nfs/dbraw/zinc/19/09/31/473190931.db2.gz BHBRBUQZXZMAQN-GJZGRUSLSA-N 0 0 346.387 2.972 10 5 EFBERN Cc1ccc(C)n1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000095369361 473192239 /nfs/dbraw/zinc/19/22/39/473192239.db2.gz MSUOHECWCWBAEO-UHFFFAOYSA-N 0 0 346.339 2.623 10 5 EFBERN Cc1sc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000123867966 473193414 /nfs/dbraw/zinc/19/34/14/473193414.db2.gz DLFXTLRBGCLMIK-QMTHXVAHSA-N 0 0 342.442 2.749 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000095401157 473197712 /nfs/dbraw/zinc/19/77/12/473197712.db2.gz JYHSAVOISGNFEK-UHFFFAOYSA-N 0 0 343.792 2.617 10 5 EFBERN CCc1ccc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000095418109 473200588 /nfs/dbraw/zinc/20/05/88/473200588.db2.gz AIDUDQQLDZLKFP-QHCPKHFHSA-N 0 0 339.417 2.532 10 5 EFBERN CCn1ccc2ccc(NC(=O)NCCn3cc([N+](=O)[O-])cn3)cc21 ZINC000095426829 473202623 /nfs/dbraw/zinc/20/26/23/473202623.db2.gz OJODUSNIBXCKRO-UHFFFAOYSA-N 0 0 342.359 2.588 10 5 EFBERN C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000095433857 473203041 /nfs/dbraw/zinc/20/30/41/473203041.db2.gz XKTQAAYGWLQMLL-NSHDSACASA-N 0 0 340.426 2.879 10 5 EFBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc(F)cc1[N+](=O)[O-] ZINC000185314784 473392092 /nfs/dbraw/zinc/39/20/92/473392092.db2.gz FJQNZIRQJCIJDJ-CQSZACIVSA-N 0 0 332.287 2.802 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171506565 473401268 /nfs/dbraw/zinc/40/12/68/473401268.db2.gz URSZDEFARNIFJU-CQSZACIVSA-N 0 0 345.359 2.706 10 5 EFBERN COc1ccc(C[C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000171515479 473401961 /nfs/dbraw/zinc/40/19/61/473401961.db2.gz IHRFDDZCNXRSAH-LBPRGKRZSA-N 0 0 344.367 2.973 10 5 EFBERN CC(C)C[C@H](CO)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185364233 473406422 /nfs/dbraw/zinc/40/64/22/473406422.db2.gz SODKQXFNTAWNNZ-GFCCVEGCSA-N 0 0 343.811 2.526 10 5 EFBERN COc1cccc(N2CCC(Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000185375565 473409641 /nfs/dbraw/zinc/40/96/41/473409641.db2.gz SSCPPADDNBJWGU-UHFFFAOYSA-N 0 0 330.388 2.796 10 5 EFBERN Cc1nnc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000171571482 473411988 /nfs/dbraw/zinc/41/19/88/473411988.db2.gz GSMRCZCJOBTWJX-ZDUSSCGKSA-N 0 0 343.368 2.602 10 5 EFBERN CC(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185404177 473417277 /nfs/dbraw/zinc/41/72/77/473417277.db2.gz CSUHGFAODHLAGT-CQSZACIVSA-N 0 0 347.415 2.561 10 5 EFBERN COc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000113890377 473420359 /nfs/dbraw/zinc/42/03/59/473420359.db2.gz AVRLQVSGURKKAY-ZDUSSCGKSA-N 0 0 330.344 2.694 10 5 EFBERN COc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000113890374 473420486 /nfs/dbraw/zinc/42/04/86/473420486.db2.gz AVRLQVSGURKKAY-CYBMUJFWSA-N 0 0 330.344 2.694 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000171679160 473436919 /nfs/dbraw/zinc/43/69/19/473436919.db2.gz HRUHJHVHWZIMDJ-ZDUSSCGKSA-N 0 0 346.362 2.867 10 5 EFBERN CC1CCN(c2ccc(C(=O)N[C@H]3CCCOC3)cc2[N+](=O)[O-])CC1 ZINC000171701496 473440779 /nfs/dbraw/zinc/44/07/79/473440779.db2.gz FJHTVWAIKTXDTM-HNNXBMFYSA-N 0 0 347.415 2.740 10 5 EFBERN CCN(Cc1cnn(C)c1)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185533654 473450639 /nfs/dbraw/zinc/45/06/39/473450639.db2.gz PWTSZAFGSPXLNB-UKTHLTGXSA-N 0 0 328.372 2.780 10 5 EFBERN CCOc1ccc(C(=O)N(C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000177925950 473450719 /nfs/dbraw/zinc/45/07/19/473450719.db2.gz VXFZQAFOSUBRBQ-UHFFFAOYSA-N 0 0 330.340 2.971 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000151391386 473451291 /nfs/dbraw/zinc/45/12/91/473451291.db2.gz GABSVFGJSJLAGK-MRXNPFEDSA-N 0 0 345.399 2.567 10 5 EFBERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000177943905 473453273 /nfs/dbraw/zinc/45/32/73/473453273.db2.gz ICTZUIZQUFBCGZ-VHDGCEQUSA-N 0 0 337.424 2.551 10 5 EFBERN CCn1c(SCc2ncccn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000191011451 473455934 /nfs/dbraw/zinc/45/59/34/473455934.db2.gz JBURUVXMSFQINK-UHFFFAOYSA-N 0 0 342.384 2.956 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000178041447 473462250 /nfs/dbraw/zinc/46/22/50/473462250.db2.gz AWUOSDHPXFHNGF-GFCCVEGCSA-N 0 0 344.371 2.913 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000171807140 473463331 /nfs/dbraw/zinc/46/33/31/473463331.db2.gz QKHRJKJUFKUFRX-UHFFFAOYSA-N 0 0 330.344 2.848 10 5 EFBERN CC[C@H](NC(=O)C(=O)Nc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000178057670 473463386 /nfs/dbraw/zinc/46/33/86/473463386.db2.gz VFWXCCAWILUMHV-LBPRGKRZSA-N 0 0 348.384 2.566 10 5 EFBERN CC[C@H](NC(=O)C(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178056786 473464059 /nfs/dbraw/zinc/46/40/59/473464059.db2.gz YMADRTWJYPTGFO-HNNXBMFYSA-N 0 0 345.330 2.940 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000171817388 473464247 /nfs/dbraw/zinc/46/42/47/473464247.db2.gz QEZQHQMBMPUSHJ-JTQLQIEISA-N 0 0 347.400 2.603 10 5 EFBERN C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2ccccc21 ZINC000185595714 473464403 /nfs/dbraw/zinc/46/44/03/473464403.db2.gz GMGZGEYLWYVCPR-BONVTDFDSA-N 0 0 326.356 2.940 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484762 473474130 /nfs/dbraw/zinc/47/41/30/473474130.db2.gz POWYWBRJSLJLHV-MRXNPFEDSA-N 0 0 343.387 2.792 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114484764 473474537 /nfs/dbraw/zinc/47/45/37/473474537.db2.gz POWYWBRJSLJLHV-INIZCTEOSA-N 0 0 343.387 2.792 10 5 EFBERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000164045804 473476876 /nfs/dbraw/zinc/47/68/76/473476876.db2.gz PAIMZQKTJRYMRT-CHWSQXEVSA-N 0 0 326.418 2.588 10 5 EFBERN COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)c2ccccc21 ZINC000171929159 473483472 /nfs/dbraw/zinc/48/34/72/473483472.db2.gz XMZLXOFLARWGJP-HNNXBMFYSA-N 0 0 340.335 2.820 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000178302731 473486797 /nfs/dbraw/zinc/48/67/97/473486797.db2.gz FHJXZXATCPZUNW-DOTOQJQBSA-N 0 0 336.388 2.665 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178300437 473487009 /nfs/dbraw/zinc/48/70/09/473487009.db2.gz LZVAVRYUGRGCTM-CABCVRRESA-N 0 0 332.743 2.636 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178333209 473493309 /nfs/dbraw/zinc/49/33/09/473493309.db2.gz FXXLFDQNOVUDGZ-HOCLYGCPSA-N 0 0 344.392 2.705 10 5 EFBERN CCCN(CCc1ccccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185740460 473502263 /nfs/dbraw/zinc/50/22/63/473502263.db2.gz VMEYNKYNSOVISY-UHFFFAOYSA-N 0 0 349.412 2.633 10 5 EFBERN COc1ccc(COc2ccccc2-c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000165380904 473510442 /nfs/dbraw/zinc/51/04/42/473510442.db2.gz GGHRNBXMFKWPTF-UHFFFAOYSA-N 0 0 326.312 2.968 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2cccc(Br)c2)nc1 ZINC000178424507 473511114 /nfs/dbraw/zinc/51/11/14/473511114.db2.gz AEQJDRFEXHZCLD-GFCCVEGCSA-N 0 0 338.161 2.898 10 5 EFBERN COC(=O)c1ccccc1COc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC000165609780 473512870 /nfs/dbraw/zinc/51/28/70/473512870.db2.gz OFRIVZIAROXJNX-UHFFFAOYSA-N 0 0 344.323 2.919 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000185784099 473513693 /nfs/dbraw/zinc/51/36/93/473513693.db2.gz JCRWKBOYJWKROZ-CYBMUJFWSA-N 0 0 331.376 2.586 10 5 EFBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000185806055 473519097 /nfs/dbraw/zinc/51/90/97/473519097.db2.gz RPENDJIXEUQCAR-RYUDHWBXSA-N 0 0 349.412 2.952 10 5 EFBERN CC(C)C[C@@H](CO)N(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000185875998 473536158 /nfs/dbraw/zinc/53/61/58/473536158.db2.gz MQUOVSYYLVJFGU-AWEZNQCLSA-N 0 0 337.420 2.576 10 5 EFBERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000126741048 473541858 /nfs/dbraw/zinc/54/18/58/473541858.db2.gz STLLKBKQVZXMAB-YPMHNXCESA-N 0 0 347.415 2.618 10 5 EFBERN CCc1ccc(OCC(=O)NCc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000115200655 473543840 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CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)n1 ZINC000191615715 473560913 /nfs/dbraw/zinc/56/09/13/473560913.db2.gz UTUZSYDNIXCQPA-HNNXBMFYSA-N 0 0 342.399 2.967 10 5 EFBERN O=C(NCC1(CCO)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170601414 473561824 /nfs/dbraw/zinc/56/18/24/473561824.db2.gz OFTWPFGOEAHNCL-UHFFFAOYSA-N 0 0 347.396 2.611 10 5 EFBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000191630785 473563152 /nfs/dbraw/zinc/56/31/52/473563152.db2.gz ZWFWQFUIROEDLB-GFCCVEGCSA-N 0 0 338.314 2.971 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)c2ccc(OC)cc2)n1 ZINC000191634815 473563230 /nfs/dbraw/zinc/56/32/30/473563230.db2.gz PCFSQEXHHJXBCJ-GFCCVEGCSA-N 0 0 346.387 2.743 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)n1 ZINC000191639949 473563523 /nfs/dbraw/zinc/56/35/23/473563523.db2.gz GQXBXKFDZPWUEN-CYBMUJFWSA-N 0 0 330.388 2.789 10 5 EFBERN COc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1[N+](=O)[O-] ZINC000170632854 473569954 /nfs/dbraw/zinc/56/99/54/473569954.db2.gz ATQBIHHRSIVYBL-UHFFFAOYSA-N 0 0 340.295 2.906 10 5 EFBERN CN(C)c1ccccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000152524562 473572672 /nfs/dbraw/zinc/57/26/72/473572672.db2.gz HKYRSDNNHIVPGH-UHFFFAOYSA-N 0 0 341.414 2.547 10 5 EFBERN CN(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000170652859 473576072 /nfs/dbraw/zinc/57/60/72/473576072.db2.gz IVZBDBRXCGOBJQ-MCIONIFRSA-N 0 0 344.371 2.895 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCc2cc(-c3ccccc3)oc2C1 ZINC000127308992 473598762 /nfs/dbraw/zinc/59/87/62/473598762.db2.gz PRTKXVACYQBXGW-UHFFFAOYSA-N 0 0 338.323 2.776 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000152941692 473601402 /nfs/dbraw/zinc/60/14/02/473601402.db2.gz JYUPSSYTDGWTHR-RKDXNWHRSA-N 0 0 343.177 2.607 10 5 EFBERN COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1[N+](=O)[O-] ZINC000127348807 473602574 /nfs/dbraw/zinc/60/25/74/473602574.db2.gz IRZFHEHCPUIRCP-MRXNPFEDSA-N 0 0 346.339 2.719 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CC(C)c1noc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000170933723 473650427 /nfs/dbraw/zinc/65/04/27/473650427.db2.gz RXWDUFPVJFSRCK-JTQLQIEISA-N 0 0 339.373 2.777 10 5 EFBERN COC(=O)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)CC(C)C ZINC000172652805 473667435 /nfs/dbraw/zinc/66/74/35/473667435.db2.gz MZUNMMOAANXBEE-NSHDSACASA-N 0 0 347.371 2.641 10 5 EFBERN CC[C@@H](NC(=O)N(C)C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000186396986 473668447 /nfs/dbraw/zinc/66/84/47/473668447.db2.gz NJRZSQRGOMDWRC-VXGBXAGGSA-N 0 0 349.309 2.611 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](COC)c2ccccc2)c1[N+](=O)[O-] ZINC000172765634 473681774 /nfs/dbraw/zinc/68/17/74/473681774.db2.gz UALFYKFVHVCECC-CQSZACIVSA-N 0 0 345.355 2.966 10 5 EFBERN Cc1nc(CN2CCCN(c3ncc([N+](=O)[O-])s3)CC2)cs1 ZINC000192451425 473681963 /nfs/dbraw/zinc/68/19/63/473681963.db2.gz XZZOMQPRULQOGP-UHFFFAOYSA-N 0 0 339.446 2.529 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000192486384 473684809 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C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000192655498 473700133 /nfs/dbraw/zinc/70/01/33/473700133.db2.gz OBESSNOQVWVFME-TZMCWYRMSA-N 0 0 339.355 2.604 10 5 EFBERN COc1ccccc1O[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000172908909 473702083 /nfs/dbraw/zinc/70/20/83/473702083.db2.gz XHNCSZNYRCTGNM-LLVKDONJSA-N 0 0 345.355 2.504 10 5 EFBERN Cc1c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)ccn1C ZINC000192684408 473705715 /nfs/dbraw/zinc/70/57/15/473705715.db2.gz RJEVGPDZPHOKSQ-UHFFFAOYSA-N 0 0 325.328 2.884 10 5 EFBERN CCn1c(C)nnc1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000173036466 473730474 /nfs/dbraw/zinc/73/04/74/473730474.db2.gz AMGUBGDMEBXZMA-UHFFFAOYSA-N 0 0 341.165 2.856 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000173095818 473743627 /nfs/dbraw/zinc/74/36/27/473743627.db2.gz TUSVFTLNVJJVEZ-JTQLQIEISA-N 0 0 340.339 2.533 10 5 EFBERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000245769865 473745505 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EFBERN O=C(N[C@H]1CCOC2(CCSCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000269383075 473793744 /nfs/dbraw/zinc/79/37/44/473793744.db2.gz PLDKPFPLBXFQLA-ZDUSSCGKSA-N 0 0 336.413 2.769 10 5 EFBERN CN(CC(=O)NCCCc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000173284625 473794332 /nfs/dbraw/zinc/79/43/32/473794332.db2.gz MMNMSDXNKPKEIV-UHFFFAOYSA-N 0 0 345.374 2.919 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287923085 473799018 /nfs/dbraw/zinc/79/90/18/473799018.db2.gz QIXFEUDFXMEOFH-CQSZACIVSA-N 0 0 346.305 2.823 10 5 EFBERN COC(=O)C1CCC(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000180141770 473809210 /nfs/dbraw/zinc/80/92/10/473809210.db2.gz ACRBXBSVZHAKGQ-UHFFFAOYSA-N 0 0 342.298 2.791 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](C(F)(F)F)C1 ZINC000180167612 473817326 /nfs/dbraw/zinc/81/73/26/473817326.db2.gz SHZUALMNFNSORE-VIFPVBQESA-N 0 0 346.261 2.738 10 5 EFBERN Cc1cc(N[C@@H]2CCC(=O)N[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000281722404 473817977 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C[C@H](NC(=O)N1CCC(c2ncc[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000263752193 473834334 /nfs/dbraw/zinc/83/43/34/473834334.db2.gz FPUKTQBVFJBWQU-LBPRGKRZSA-N 0 0 343.387 2.968 10 5 EFBERN CCc1noc(CC)c1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000288066231 473838790 /nfs/dbraw/zinc/83/87/90/473838790.db2.gz YNMRZFNUKLDJEG-UHFFFAOYSA-N 0 0 348.359 2.810 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1[N+](=O)[O-] ZINC000269582942 473839311 /nfs/dbraw/zinc/83/93/11/473839311.db2.gz LFBBBZZAZJVEQJ-UHFFFAOYSA-N 0 0 349.372 2.669 10 5 EFBERN COc1c(F)cc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000187263643 473849323 /nfs/dbraw/zinc/84/93/23/473849323.db2.gz MOTSJCXKZHRTQR-UWVGGRQHSA-N 0 0 346.380 2.552 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000173506410 473860670 /nfs/dbraw/zinc/86/06/70/473860670.db2.gz ATDWWLMCIZBVDM-JTQLQIEISA-N 0 0 330.388 2.615 10 5 EFBERN COC(=O)c1cc(N[C@@H](C)c2cnn(C)c2C)cc(C)c1[N+](=O)[O-] ZINC000180394850 473866622 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ZINC000352394823 475251032 /nfs/dbraw/zinc/25/10/32/475251032.db2.gz VGHMPVCVPOJMBU-OAHLLOKOSA-N 0 0 345.309 2.870 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)cn2)n1 ZINC000357911699 475255016 /nfs/dbraw/zinc/25/50/16/475255016.db2.gz KRNMHWRKYVNGQY-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(F)(F)F)cc2)n1 ZINC000357917534 475258616 /nfs/dbraw/zinc/25/86/16/475258616.db2.gz YCUWQSJNEBSADU-UHFFFAOYSA-N 0 0 328.250 2.685 10 5 EFBERN CN(Cc1cccc(Cl)c1Cl)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357925119 475266369 /nfs/dbraw/zinc/26/63/69/475266369.db2.gz MUCRNLHDXQFIBZ-UHFFFAOYSA-N 0 0 343.170 2.907 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000352411180 475267041 /nfs/dbraw/zinc/26/70/41/475267041.db2.gz XDIXXWZAAQXNSW-UHFFFAOYSA-N 0 0 341.327 2.801 10 5 EFBERN Cc1cc(C(=O)NCc2ccnc(OC(F)F)c2)cc([N+](=O)[O-])c1 ZINC000341744362 475268022 /nfs/dbraw/zinc/26/80/22/475268022.db2.gz WXXVILQVHIQYHM-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN COCCOc1ncccc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766746 475285063 /nfs/dbraw/zinc/28/50/63/475285063.db2.gz HCTJPSVMNPYDDV-LBPRGKRZSA-N 0 0 345.355 2.506 10 5 EFBERN C[NH+](C)CCc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000352429015 475286541 /nfs/dbraw/zinc/28/65/41/475286541.db2.gz VOUCRCOJJIOUJG-UHFFFAOYSA-N 0 0 329.356 2.657 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OC(F)F)c1 ZINC000341778498 475294514 /nfs/dbraw/zinc/29/45/14/475294514.db2.gz SKSKJVSUMHEVMM-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN Cc1ccc(CC[C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000354617237 475294637 /nfs/dbraw/zinc/29/46/37/475294637.db2.gz SXRATEJICCRUOG-LLVKDONJSA-N 0 0 338.385 2.796 10 5 EFBERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357961927 475296349 /nfs/dbraw/zinc/29/63/49/475296349.db2.gz BGQYVCZGGQWZMH-UHFFFAOYSA-N 0 0 343.170 2.907 10 5 EFBERN Cc1cnc(NCc2ccc(CN3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000361264019 475311865 /nfs/dbraw/zinc/31/18/65/475311865.db2.gz XFCDGWWZVHARKQ-UHFFFAOYSA-N 0 0 342.399 2.743 10 5 EFBERN CN1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000361262936 475312209 /nfs/dbraw/zinc/31/22/09/475312209.db2.gz QAZFOXHSFGAQFU-UHFFFAOYSA-N 0 0 335.747 2.740 10 5 EFBERN CC(C)(O)C(C)(C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000347695997 475333419 /nfs/dbraw/zinc/33/34/19/475333419.db2.gz KKUMPFZPDPXCRG-UHFFFAOYSA-N 0 0 349.412 2.998 10 5 EFBERN COC[C@H]1CCN(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000337777338 475314366 /nfs/dbraw/zinc/31/43/66/475314366.db2.gz QUDWGNFNIYZQLD-AWEZNQCLSA-N 0 0 333.388 2.648 10 5 EFBERN CCCCn1ncc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1C(C)C ZINC000361284600 475327332 /nfs/dbraw/zinc/32/73/32/475327332.db2.gz AIFJFTZKUJHIIB-UHFFFAOYSA-N 0 0 334.380 2.701 10 5 EFBERN Cc1cc(C(=O)Nc2ccc3c(c2F)CCNC3=O)cc([N+](=O)[O-])c1 ZINC000341841402 475346859 /nfs/dbraw/zinc/34/68/59/475346859.db2.gz QDWVCAPYBGTKIP-UHFFFAOYSA-N 0 0 343.314 2.581 10 5 EFBERN COCCC(C)(C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000352506461 475361236 /nfs/dbraw/zinc/36/12/36/475361236.db2.gz KXKIQXUWZRHRCT-UHFFFAOYSA-N 0 0 346.330 2.989 10 5 EFBERN O=C(CCOCC1CC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345681879 475361849 /nfs/dbraw/zinc/36/18/49/475361849.db2.gz GREHROXZOMPKNS-MRXNPFEDSA-N 0 0 336.413 2.986 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](CO)CC3CCCC3)cc2N1 ZINC000337835149 475363229 /nfs/dbraw/zinc/36/32/29/475363229.db2.gz XGCKXGCTOMXSKA-ZDUSSCGKSA-N 0 0 333.388 2.833 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ncsc1Br ZINC000341875021 475373624 /nfs/dbraw/zinc/37/36/24/475373624.db2.gz IQLFEKOMKRUATK-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN COc1cccc(C[C@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000354742313 475374259 /nfs/dbraw/zinc/37/42/59/475374259.db2.gz UOSADHDDXPIJHS-NSHDSACASA-N 0 0 329.356 2.547 10 5 EFBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354743510 475376224 /nfs/dbraw/zinc/37/62/24/475376224.db2.gz WANJUKXFIDYWFE-QAPCUYQASA-N 0 0 341.367 2.646 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000358072013 475377190 /nfs/dbraw/zinc/37/71/90/475377190.db2.gz YBXYFWDRRPPAQY-INIZCTEOSA-N 0 0 345.330 2.955 10 5 EFBERN COc1cc(CN(CCC(N)=O)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000352525590 475380493 /nfs/dbraw/zinc/38/04/93/475380493.db2.gz HIXOYXDVHWLOKY-UHFFFAOYSA-N 0 0 343.383 2.794 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](CC(N)=O)c1ccccc1 ZINC000358091917 475392982 /nfs/dbraw/zinc/39/29/82/475392982.db2.gz UKAWVBGQTWFYSU-MRXNPFEDSA-N 0 0 341.367 2.592 10 5 EFBERN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352540172 475393654 /nfs/dbraw/zinc/39/36/54/475393654.db2.gz HUNGLGLBOMZNET-HOTGVXAUSA-N 0 0 349.431 2.825 10 5 EFBERN COCCc1ccnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000341900006 475394535 /nfs/dbraw/zinc/39/45/35/475394535.db2.gz WSLPVNPIQAEACA-UHFFFAOYSA-N 0 0 340.339 2.912 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC)[C@H](O)C(F)F ZINC000296618787 475397297 /nfs/dbraw/zinc/39/72/97/475397297.db2.gz BJLRLZZLPKDWAC-SKDRFNHKSA-N 0 0 347.318 2.520 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1F ZINC000352550458 475405522 /nfs/dbraw/zinc/40/55/22/475405522.db2.gz NHPORSSHADUKPZ-UHFFFAOYSA-N 0 0 331.347 2.847 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1Cc2ccccc2CO1 ZINC000345760647 475428674 /nfs/dbraw/zinc/42/86/74/475428674.db2.gz VAJWNMOYJVVSOF-UHFFFAOYSA-N 0 0 334.278 2.890 10 5 EFBERN COc1ccc(CN(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1C ZINC000352578613 475430289 /nfs/dbraw/zinc/43/02/89/475430289.db2.gz XXDRNNGACKSVSJ-UHFFFAOYSA-N 0 0 330.340 2.890 10 5 EFBERN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000354820630 475436338 /nfs/dbraw/zinc/43/63/38/475436338.db2.gz LWRAAKBVTQIKEZ-CQSZACIVSA-N 0 0 344.371 2.785 10 5 EFBERN CCOC(=O)c1csc(N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000296701620 475438987 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CCn1cc([C@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000296777055 475473026 /nfs/dbraw/zinc/47/30/26/475473026.db2.gz AUHZXABQSZJSLG-JTQLQIEISA-N 0 0 327.344 2.784 10 5 EFBERN CC(C)(NC(=O)C[C@@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000345814303 475473830 /nfs/dbraw/zinc/47/38/30/475473830.db2.gz VWRGIOXJEAZFNK-HNNXBMFYSA-N 0 0 342.395 2.940 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ncsc1Br ZINC000341982893 475475063 /nfs/dbraw/zinc/47/50/63/475475063.db2.gz HRSBHZIKLLWXHN-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000354880952 475487605 /nfs/dbraw/zinc/48/76/05/475487605.db2.gz IZYVZCQIUOVJMQ-UHFFFAOYSA-N 0 0 347.415 2.708 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCc2ccccc2C1 ZINC000337997065 475492609 /nfs/dbraw/zinc/49/26/09/475492609.db2.gz JRVPCAZJBFYQLJ-UHFFFAOYSA-N 0 0 339.395 2.691 10 5 EFBERN CC[C@@H](NC(=O)c1cnn2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000361494612 475494019 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EFBERN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000358275876 475552581 /nfs/dbraw/zinc/55/25/81/475552581.db2.gz OUEOUPSPUVANFN-CQSZACIVSA-N 0 0 342.399 2.677 10 5 EFBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1csc2ccccc12 ZINC000352712570 475553630 /nfs/dbraw/zinc/55/36/30/475553630.db2.gz KBPMZDCFCVYVRR-UHFFFAOYSA-N 0 0 329.337 2.610 10 5 EFBERN COC(=O)[C@@](C)(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000361579698 475564619 /nfs/dbraw/zinc/56/46/19/475564619.db2.gz XBMWFOLOQVKCNZ-KRWDZBQOSA-N 0 0 332.331 2.912 10 5 EFBERN COc1cc(C(=O)NCC2CCC(OC)CC2)cc([N+](=O)[O-])c1C ZINC000358313338 475581269 /nfs/dbraw/zinc/58/12/69/475581269.db2.gz UTBMASSCFLLHPJ-UHFFFAOYSA-N 0 0 336.388 2.847 10 5 EFBERN COC(=O)[C@](C)(NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000361596146 475583576 /nfs/dbraw/zinc/58/35/76/475583576.db2.gz QYDJVGVURZTODP-QGZVFWFLSA-N 0 0 332.331 2.912 10 5 EFBERN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000339882767 475589526 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/nfs/dbraw/zinc/25/91/34/476259134.db2.gz AVNMJZYTHVKFIP-WPRPVWTQSA-N 0 0 331.294 2.861 10 5 EFBERN O=C(NCC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000344337644 476260925 /nfs/dbraw/zinc/26/09/25/476260925.db2.gz ZHYLIHRGUADJLP-VIFPVBQESA-N 0 0 332.278 2.770 10 5 EFBERN C[C@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000359801953 476263965 /nfs/dbraw/zinc/26/39/65/476263965.db2.gz YRLOWBZMSXXGKU-IUCAKERBSA-N 0 0 338.307 2.556 10 5 EFBERN CO[C@@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000357155024 476268114 /nfs/dbraw/zinc/26/81/14/476268114.db2.gz WJIDQITWLDAPQH-GFCCVEGCSA-N 0 0 349.734 2.768 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000353788974 476272834 /nfs/dbraw/zinc/27/28/34/476272834.db2.gz NZKDIFNIYLXLHM-GMTAPVOTSA-N 0 0 330.381 2.789 10 5 EFBERN Cn1c(C(=O)NCc2ccc(-c3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000362494337 476282453 /nfs/dbraw/zinc/28/24/53/476282453.db2.gz JWSHEEMJUQGGFC-UHFFFAOYSA-N 0 0 336.351 2.925 10 5 EFBERN COc1cc(CCO)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000357188187 476282958 /nfs/dbraw/zinc/28/29/58/476282958.db2.gz JQELBVYWINRXSW-UHFFFAOYSA-N 0 0 332.356 2.759 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc2ncsc2c1 ZINC000362501612 476286059 /nfs/dbraw/zinc/28/60/59/476286059.db2.gz GZDYXPUJPXQYBG-MRVPVSSYSA-N 0 0 344.352 2.796 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000362502225 476286405 /nfs/dbraw/zinc/28/64/05/476286405.db2.gz KBDIMEZUAGOUAE-NHYWBVRUSA-N 0 0 336.413 2.713 10 5 EFBERN CC(C)N(C[C@@H](C)O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353840935 476297390 /nfs/dbraw/zinc/29/73/90/476297390.db2.gz BHJVQLHGDFHFKO-LLVKDONJSA-N 0 0 343.811 2.592 10 5 EFBERN COc1cccc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000350801740 476301956 /nfs/dbraw/zinc/30/19/56/476301956.db2.gz KGYVJLCAMRMXNK-UHFFFAOYSA-N 0 0 343.307 2.856 10 5 EFBERN COc1cccc(NCc2cc(OC)c(O)c(OC)c2)c1[N+](=O)[O-] ZINC000357242344 476302143 /nfs/dbraw/zinc/30/21/43/476302143.db2.gz VNSIIULIKRYACL-UHFFFAOYSA-N 0 0 334.328 2.938 10 5 EFBERN COc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000353855730 476302135 /nfs/dbraw/zinc/30/21/35/476302135.db2.gz FUGZEZCSTXVDTN-SNVBAGLBSA-N 0 0 344.323 2.823 10 5 EFBERN CC(C)Cn1ccnc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000357273789 476311781 /nfs/dbraw/zinc/31/17/81/476311781.db2.gz AJIIOQPQWSDIDE-UHFFFAOYSA-N 0 0 341.371 2.859 10 5 EFBERN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000353895600 476316332 /nfs/dbraw/zinc/31/63/32/476316332.db2.gz CRCPENSHWPWYNO-SECBINFHSA-N 0 0 337.177 2.998 10 5 EFBERN C[C@@H](Cc1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000357287369 476316853 /nfs/dbraw/zinc/31/68/53/476316853.db2.gz VHQBJAXTYOHLCW-LBPRGKRZSA-N 0 0 340.339 2.534 10 5 EFBERN O=C([C@H]1CCCOCC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000362596643 476322515 /nfs/dbraw/zinc/32/25/15/476322515.db2.gz PCOJAHRVKWOINX-BLLLJJGKSA-N 0 0 336.413 2.986 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](c2ccc(F)cc2)O1 ZINC000357301434 476322698 /nfs/dbraw/zinc/32/26/98/476322698.db2.gz MDSKQQZPRSBEII-XHDPSFHLSA-N 0 0 347.346 2.675 10 5 EFBERN CCc1noc(C)c1-c1noc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000351018939 476323742 /nfs/dbraw/zinc/32/37/42/476323742.db2.gz DHGPBACAUWCZTI-UHFFFAOYSA-N 0 0 344.283 2.899 10 5 EFBERN O=[N+]([O-])c1ccn(CCN2CCN(C3CC3)c3cc(Cl)ccc32)n1 ZINC000362604787 476325621 /nfs/dbraw/zinc/32/56/21/476325621.db2.gz WZOPVLUGWZMIQY-UHFFFAOYSA-N 0 0 347.806 2.934 10 5 EFBERN C[C@@H](OC[C@@H]1CCCCO1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357311348 476326338 /nfs/dbraw/zinc/32/63/38/476326338.db2.gz HVQCDGSVZJKSEL-RISCZKNCSA-N 0 0 348.359 2.610 10 5 EFBERN C[C@H](OC[C@@H]1CCCCO1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357311344 476326704 /nfs/dbraw/zinc/32/67/04/476326704.db2.gz HVQCDGSVZJKSEL-FZMZJTMJSA-N 0 0 348.359 2.610 10 5 EFBERN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000353933339 476329027 /nfs/dbraw/zinc/32/90/27/476329027.db2.gz UBPIWRWXDAHPDS-CYBMUJFWSA-N 0 0 348.403 2.680 10 5 EFBERN C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1cccnc1 ZINC000357328498 476333202 /nfs/dbraw/zinc/33/32/02/476333202.db2.gz XNPLVMDEYFEDMX-LLVKDONJSA-N 0 0 325.328 2.705 10 5 EFBERN O=[N+]([O-])c1ccc(Cc2noc(CSCc3cscn3)n2)nc1 ZINC000357329120 476333382 /nfs/dbraw/zinc/33/33/82/476333382.db2.gz BCMDRQUUJSADLN-UHFFFAOYSA-N 0 0 349.397 2.854 10 5 EFBERN CC/C(C)=C/c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000351102963 476338755 /nfs/dbraw/zinc/33/87/55/476338755.db2.gz ALZDXMYQSLWGOZ-DHZHZOJOSA-N 0 0 330.344 2.650 10 5 EFBERN C[C@H]1COCC[C@@H]1c1noc(CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000351125780 476343049 /nfs/dbraw/zinc/34/30/49/476343049.db2.gz RWMOOMOJDUDFTJ-FZMZJTMJSA-N 0 0 345.355 2.933 10 5 EFBERN Cc1cc(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000353978462 476344726 /nfs/dbraw/zinc/34/47/26/476344726.db2.gz LGOAJXVDARSOHK-INIZCTEOSA-N 0 0 341.371 2.546 10 5 EFBERN CC(C)c1nn(C)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000360702511 476346191 /nfs/dbraw/zinc/34/61/91/476346191.db2.gz JLESKZAXKTYLTC-CQSZACIVSA-N 0 0 343.387 2.669 10 5 EFBERN C[C@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357371856 476349036 /nfs/dbraw/zinc/34/90/36/476349036.db2.gz WHCLDDCBYBLFNQ-GFCCVEGCSA-N 0 0 338.367 2.966 10 5 EFBERN CN(CC1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000360716116 476351280 /nfs/dbraw/zinc/35/12/80/476351280.db2.gz OMSZWJAERWNFCY-UHFFFAOYSA-N 0 0 339.200 2.932 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000357384753 476352297 /nfs/dbraw/zinc/35/22/97/476352297.db2.gz UCQUPLZDHPDOOY-KOLCDFICSA-N 0 0 348.325 2.679 10 5 EFBERN O=[N+]([O-])c1ccccc1Cc1noc(C2CN(CC(F)(F)F)C2)n1 ZINC000351189974 476354663 /nfs/dbraw/zinc/35/46/63/476354663.db2.gz MYNDRMILCPHYSG-UHFFFAOYSA-N 0 0 342.277 2.530 10 5 EFBERN COCCc1nc(CSCc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000357396716 476358841 /nfs/dbraw/zinc/35/88/41/476358841.db2.gz AHRGKHINIXVNQX-UHFFFAOYSA-N 0 0 339.373 2.609 10 5 EFBERN CCc1ocnc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000360750352 476366009 /nfs/dbraw/zinc/36/60/09/476366009.db2.gz MNNUYLLECRGSTL-UHFFFAOYSA-N 0 0 326.312 2.676 10 5 EFBERN CNC(=O)C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000360767373 476374948 /nfs/dbraw/zinc/37/49/48/476374948.db2.gz UOEVMYANFWGFKV-INIZCTEOSA-N 0 0 331.347 2.701 10 5 EFBERN COc1ccc(NC(=O)C(=O)NC2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000360771866 476377624 /nfs/dbraw/zinc/37/76/24/476377624.db2.gz JQHRZHRZNLJTMU-UHFFFAOYSA-N 0 0 349.387 2.627 10 5 EFBERN CCOc1ccc(C(=O)Nc2cccc3nccn32)cc1[N+](=O)[O-] ZINC000357433946 476380191 /nfs/dbraw/zinc/38/01/91/476380191.db2.gz DPIGNLICYWWWPL-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN COC[C@H]1CCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000354038979 476383899 /nfs/dbraw/zinc/38/38/99/476383899.db2.gz OWEJKHRUFKRFFW-UKRRQHHQSA-N 0 0 347.415 2.692 10 5 EFBERN C[C@@H]1C[C@H](c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)CCO1 ZINC000357462246 476398131 /nfs/dbraw/zinc/39/81/31/476398131.db2.gz CYXFJPIGDFDIJG-RKDXNWHRSA-N 0 0 329.316 2.804 10 5 EFBERN CC(C)(C(=O)NCc1ccc(C2CC2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000360802338 476398637 /nfs/dbraw/zinc/39/86/37/476398637.db2.gz PCSLVGFIMBMKMU-UHFFFAOYSA-N 0 0 328.372 2.720 10 5 EFBERN CCCN1C[C@H](c2noc(-c3cc(C)cc([N+](=O)[O-])c3)n2)CC1=O ZINC000351315320 476407383 /nfs/dbraw/zinc/40/73/83/476407383.db2.gz UKWYWIFEUMHEAL-GFCCVEGCSA-N 0 0 330.344 2.679 10 5 EFBERN Cc1c(Cc2noc([C@@H](C)c3ccnn3C)n2)cccc1[N+](=O)[O-] ZINC000351316831 476408680 /nfs/dbraw/zinc/40/86/80/476408680.db2.gz CFFXXOYEKWRGBB-NSHDSACASA-N 0 0 327.344 2.762 10 5 EFBERN Nc1c(F)c(NCCc2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000357482760 476410290 /nfs/dbraw/zinc/41/02/90/476410290.db2.gz QDNMSNIVVIOOKB-UHFFFAOYSA-N 0 0 342.334 2.756 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(OCC2CC2)cc1 ZINC000354085223 476414233 /nfs/dbraw/zinc/41/42/33/476414233.db2.gz HFZYAYQPWGVTQS-UHFFFAOYSA-N 0 0 328.328 2.621 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(COC[C@@H]3CCOC3)no2)c(Cl)c1 ZINC000351383671 476433081 /nfs/dbraw/zinc/43/30/81/476433081.db2.gz KGXVYHOREGDNIV-SECBINFHSA-N 0 0 339.735 2.851 10 5 EFBERN CCOc1ccc(-c2nc(COC[C@H]3CCOC3)no2)cc1[N+](=O)[O-] ZINC000351386923 476433419 /nfs/dbraw/zinc/43/34/19/476433419.db2.gz NPYIJXMNCMCIHO-NSHDSACASA-N 0 0 349.343 2.597 10 5 EFBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000363584708 476447717 /nfs/dbraw/zinc/44/77/17/476447717.db2.gz BJTXKBOBERWZRM-VIFPVBQESA-N 0 0 347.404 2.795 10 5 EFBERN Cc1c(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374042939 476449567 /nfs/dbraw/zinc/44/95/67/476449567.db2.gz XKPPOBVVTHRWJP-FHSNZYRGSA-N 0 0 348.399 2.702 10 5 EFBERN CSc1cccc(C(=O)Nc2ncn(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000362873331 476455809 /nfs/dbraw/zinc/45/58/09/476455809.db2.gz HCZVOQIZHSCQLE-UHFFFAOYSA-N 0 0 335.389 2.916 10 5 EFBERN 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EFBERN O=C(N[C@@H]1CC12CCCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000430255256 476794523 /nfs/dbraw/zinc/79/45/23/476794523.db2.gz IFIASDSUBKWDJU-OAHLLOKOSA-N 0 0 326.356 2.843 10 5 EFBERN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430280442 476800811 /nfs/dbraw/zinc/80/08/11/476800811.db2.gz PKSLRMBVGFNWIW-PBFPGSCMSA-N 0 0 338.379 2.892 10 5 EFBERN Cc1cncn1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000375376727 476804875 /nfs/dbraw/zinc/80/48/75/476804875.db2.gz CCBQAJLICGTDQS-UHFFFAOYSA-N 0 0 328.372 2.885 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000375384202 476808004 /nfs/dbraw/zinc/80/80/04/476808004.db2.gz KQLGWMOHFAMGFQ-KRWDZBQOSA-N 0 0 334.372 2.636 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000446034678 476810985 /nfs/dbraw/zinc/81/09/85/476810985.db2.gz DTRIFYMQBGYEKD-LLVKDONJSA-N 0 0 334.763 2.567 10 5 EFBERN COC[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456972657 476811250 /nfs/dbraw/zinc/81/12/50/476811250.db2.gz VCBJPBOMCDBAQB-LLVKDONJSA-N 0 0 344.314 2.837 10 5 EFBERN Cc1cc(OCC(=O)N2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000430325585 476812271 /nfs/dbraw/zinc/81/22/71/476812271.db2.gz SVQXJHVDRUZTSQ-UHFFFAOYSA-N 0 0 328.324 2.708 10 5 EFBERN COC[C@H]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000452089983 476815681 /nfs/dbraw/zinc/81/56/81/476815681.db2.gz RVSOUAAFCYLPEK-AWEZNQCLSA-N 0 0 335.404 2.590 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)c(F)c1 ZINC000375417189 476826331 /nfs/dbraw/zinc/82/63/31/476826331.db2.gz UIYVUGSBFOFAHF-LBPRGKRZSA-N 0 0 332.335 2.984 10 5 EFBERN COC(=O)c1cccc(F)c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000446104746 476828560 /nfs/dbraw/zinc/82/85/60/476828560.db2.gz VWMDYXRHDJADSS-UHFFFAOYSA-N 0 0 348.286 2.538 10 5 EFBERN Cn1cc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)cn1 ZINC000446111322 476830389 /nfs/dbraw/zinc/83/03/89/476830389.db2.gz ILPQABKONZHCKE-LLVKDONJSA-N 0 0 343.265 2.753 10 5 EFBERN COC[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000457018327 476832229 /nfs/dbraw/zinc/83/22/29/476832229.db2.gz CCBKIANVQIWWIF-CQSZACIVSA-N 0 0 336.388 2.557 10 5 EFBERN COC[C@H]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000457021969 476833487 /nfs/dbraw/zinc/83/34/87/476833487.db2.gz CAGZSLSXUDSPAM-ZDUSSCGKSA-N 0 0 336.388 2.801 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC(C)=C[C@H](C)C1 ZINC000430488403 476840426 /nfs/dbraw/zinc/84/04/26/476840426.db2.gz XYVOAFVBNNTJME-JTQLQIEISA-N 0 0 331.372 2.575 10 5 EFBERN COC[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000457050410 476847708 /nfs/dbraw/zinc/84/77/08/476847708.db2.gz VQRXAIALXFEYBX-GFCCVEGCSA-N 0 0 331.372 2.965 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000452150842 476856979 /nfs/dbraw/zinc/85/69/79/476856979.db2.gz YGFUMWMKZALIIJ-NSHDSACASA-N 0 0 347.758 2.979 10 5 EFBERN NC(=O)c1ccc(CNc2cccc3c2OCCC3)c([N+](=O)[O-])c1 ZINC000370531079 476857759 /nfs/dbraw/zinc/85/77/59/476857759.db2.gz LLRZEJVDNSANCE-UHFFFAOYSA-N 0 0 327.340 2.631 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CC[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000446317354 476860529 /nfs/dbraw/zinc/86/05/29/476860529.db2.gz DEQUAIDATHGZMU-LBPRGKRZSA-N 0 0 334.372 2.890 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000370540969 476861991 /nfs/dbraw/zinc/86/19/91/476861991.db2.gz ZHISEIDOCVUZDL-KRWDZBQOSA-N 0 0 341.367 2.576 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375485158 476863573 /nfs/dbraw/zinc/86/35/73/476863573.db2.gz IYXMNDVRKLLHTG-INIZCTEOSA-N 0 0 335.360 2.638 10 5 EFBERN COC[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000457095512 476870847 /nfs/dbraw/zinc/87/08/47/476870847.db2.gz VCYDFRNGLWOOLV-ZDUSSCGKSA-N 0 0 345.399 2.894 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000366122368 476871339 /nfs/dbraw/zinc/87/13/39/476871339.db2.gz ZNTGPAVXMCBJRS-RISCZKNCSA-N 0 0 347.396 2.780 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCc2c(F)cccc21 ZINC000452192522 476877539 /nfs/dbraw/zinc/87/75/39/476877539.db2.gz LPWMYPVJVHROOA-HNNXBMFYSA-N 0 0 332.335 2.514 10 5 EFBERN COc1cnccc1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000446489720 476877553 /nfs/dbraw/zinc/87/75/53/476877553.db2.gz CFBJVBJIASCURU-SNVBAGLBSA-N 0 0 346.343 2.890 10 5 EFBERN COc1cccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000446493056 476878673 /nfs/dbraw/zinc/87/86/73/476878673.db2.gz DKUPPJVEFYMHMZ-UHFFFAOYSA-N 0 0 330.344 2.671 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000370578493 476880929 /nfs/dbraw/zinc/88/09/29/476880929.db2.gz ZGTINSDFBVJKIM-UHFFFAOYSA-N 0 0 345.330 2.813 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000370582714 476882046 /nfs/dbraw/zinc/88/20/46/476882046.db2.gz KMFANAGWIYEIFY-UHFFFAOYSA-N 0 0 333.294 2.583 10 5 EFBERN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370584641 476883121 /nfs/dbraw/zinc/88/31/21/476883121.db2.gz UOKWEFJCEPBCLE-GFCCVEGCSA-N 0 0 326.356 2.723 10 5 EFBERN Cc1cc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cc([N+](=O)[O-])c1 ZINC000375564409 476895371 /nfs/dbraw/zinc/89/53/71/476895371.db2.gz KWJSHJODHADNJD-LBPRGKRZSA-N 0 0 342.355 2.793 10 5 EFBERN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(C2CCCCC2)n1 ZINC000452269744 476899362 /nfs/dbraw/zinc/89/93/62/476899362.db2.gz GJDUAAQTXYUGGT-UHFFFAOYSA-N 0 0 331.376 2.967 10 5 EFBERN CCOC1(C)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000452285775 476903782 /nfs/dbraw/zinc/90/37/82/476903782.db2.gz PNLGOAULYYVPMP-UHFFFAOYSA-N 0 0 343.177 2.608 10 5 EFBERN Cc1ccc(C2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cn1 ZINC000370711427 476947285 /nfs/dbraw/zinc/94/72/85/476947285.db2.gz PNPJXUHXXUODPT-UHFFFAOYSA-N 0 0 340.383 2.900 10 5 EFBERN COC(=O)c1cnc(N2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000375705657 476963157 /nfs/dbraw/zinc/96/31/57/476963157.db2.gz RDBYPFHFLXCNHV-KRWDZBQOSA-N 0 0 345.330 2.852 10 5 EFBERN COC(=O)c1cnc(N2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000375705658 476964362 /nfs/dbraw/zinc/96/43/62/476964362.db2.gz RDBYPFHFLXCNHV-QGZVFWFLSA-N 0 0 345.330 2.852 10 5 EFBERN Cc1c(Br)c(=O)n(C[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000447312771 476977412 /nfs/dbraw/zinc/97/74/12/476977412.db2.gz OAZQJIAVXSQXGQ-WCBMZHEXSA-N 0 0 345.193 2.643 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC)[C@@H](O)C(F)F ZINC000452483872 476980670 /nfs/dbraw/zinc/98/06/70/476980670.db2.gz SQLUXOKGQMGWDX-MRVWCRGKSA-N 0 0 344.358 2.684 10 5 EFBERN CCOC(=O)c1nnc(SCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000447333538 476982091 /nfs/dbraw/zinc/98/20/91/476982091.db2.gz YDDJODZMURDELU-UHFFFAOYSA-N 0 0 339.398 2.958 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]1C1CC1 ZINC000452496417 476983927 /nfs/dbraw/zinc/98/39/27/476983927.db2.gz GOWSYCZALGGGAO-LBPRGKRZSA-N 0 0 325.162 2.982 10 5 EFBERN CCC(C)(C)OCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457351829 476985126 /nfs/dbraw/zinc/98/51/26/476985126.db2.gz DGTYUSDIJLFNBU-UHFFFAOYSA-N 0 0 330.331 2.737 10 5 EFBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]1C1CC1 ZINC000452505568 476987426 /nfs/dbraw/zinc/98/74/26/476987426.db2.gz XBRLKUKOTDWHBY-GFCCVEGCSA-N 0 0 325.162 2.982 10 5 EFBERN C[C@H]1CC[C@@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)O1 ZINC000457360571 476988423 /nfs/dbraw/zinc/98/84/23/476988423.db2.gz KDHXJLMMYAJEDX-IUCAKERBSA-N 0 0 332.278 2.911 10 5 EFBERN Cc1cc(C)cc(CS(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409566314 476988615 /nfs/dbraw/zinc/98/86/15/476988615.db2.gz WVCNLAPXNPWBEP-UHFFFAOYSA-N 0 0 348.424 2.874 10 5 EFBERN CC=CC[C@H]1NC(=O)N(CCCNc2ccc(C)cc2[N+](=O)[O-])C1=O ZINC000431219613 476995743 /nfs/dbraw/zinc/99/57/43/476995743.db2.gz FPVRYUIUBZHCER-VQTKUKTRSA-N 0 0 346.387 2.592 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000416060230 477006054 /nfs/dbraw/zinc/00/60/54/477006054.db2.gz UQZGRPXVCRZOIE-HNNXBMFYSA-N 0 0 342.351 2.995 10 5 EFBERN CNc1c(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000452590374 477009601 /nfs/dbraw/zinc/00/96/01/477009601.db2.gz KWVMWJNSZPHPAB-MCTLKSGKSA-N 0 0 327.384 2.921 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCC1CCOCC1 ZINC000452593831 477011301 /nfs/dbraw/zinc/01/13/01/477011301.db2.gz HBMSRKAOZMOEDD-UHFFFAOYSA-N 0 0 336.388 2.930 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000452601750 477013250 /nfs/dbraw/zinc/01/32/50/477013250.db2.gz WMSMZTWTSHHRJT-GVDBMIGSSA-N 0 0 332.400 2.679 10 5 EFBERN C[C@@]12CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452604640 477014598 /nfs/dbraw/zinc/01/45/98/477014598.db2.gz VBUYMTHTKLMQEC-GRINDBAHSA-N 0 0 338.367 2.755 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000370897804 477025605 /nfs/dbraw/zinc/02/56/05/477025605.db2.gz JPHJSIPGEYFMIF-KRWDZBQOSA-N 0 0 326.352 2.947 10 5 EFBERN COc1cccc(C[C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000447668558 477033070 /nfs/dbraw/zinc/03/30/70/477033070.db2.gz GYWGUWSQOBQNAB-NSHDSACASA-N 0 0 326.356 2.945 10 5 EFBERN CCC(=O)c1ccc(N2C[C@H](CC)O[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000366496340 477039945 /nfs/dbraw/zinc/03/99/45/477039945.db2.gz WRZHAMVMYOJPDQ-KSSFIOAISA-N 0 0 348.399 2.962 10 5 EFBERN CCC(=O)c1ccc(N2C[C@H](CC)O[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000366496338 477040133 /nfs/dbraw/zinc/04/01/33/477040133.db2.gz WRZHAMVMYOJPDQ-KBXCAEBGSA-N 0 0 348.399 2.962 10 5 EFBERN CCc1nc([C@@H]2CCCCN2C(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000370941315 477047490 /nfs/dbraw/zinc/04/74/90/477047490.db2.gz HLTFJSDKKSCRIK-ZDUSSCGKSA-N 0 0 330.344 2.908 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C(F)F)C1 ZINC000452692456 477047646 /nfs/dbraw/zinc/04/76/46/477047646.db2.gz KTQCYHXZAKTSKJ-CQSZACIVSA-N 0 0 346.355 2.549 10 5 EFBERN CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000431575869 477054667 /nfs/dbraw/zinc/05/46/67/477054667.db2.gz DQNJTFLPKISTBA-HAQNSBGRSA-N 0 0 342.417 2.851 10 5 EFBERN COc1cccc2c1[C@@H](C(=O)N(C)c1ccc([N+](=O)[O-])nc1)CC2 ZINC000410807792 477060366 /nfs/dbraw/zinc/06/03/66/477060366.db2.gz PSEINHOAMKIYRA-ZDUSSCGKSA-N 0 0 327.340 2.691 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCOC[C@H]1C ZINC000447812541 477064258 /nfs/dbraw/zinc/06/42/58/477064258.db2.gz RWTJAJKGOLHPMK-PELKAZGASA-N 0 0 328.752 2.872 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000375893298 477066383 /nfs/dbraw/zinc/06/63/83/477066383.db2.gz YHWMVNFJKNKIFS-WQVCFCJDSA-N 0 0 348.399 2.927 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000366556998 477067553 /nfs/dbraw/zinc/06/75/53/477067553.db2.gz IFRMNDGEJFGWSM-BMIGLBTASA-N 0 0 347.396 2.792 10 5 EFBERN CC1(C)[C@@H](O)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410880290 477072793 /nfs/dbraw/zinc/07/27/93/477072793.db2.gz VNFLQOXUSKBNGW-NSHDSACASA-N 0 0 332.278 2.599 10 5 EFBERN CN(C)c1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000431735772 477085110 /nfs/dbraw/zinc/08/51/10/477085110.db2.gz LGDHWHGFWOTHMY-UHFFFAOYSA-N 0 0 328.372 2.972 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2CC2CCC2)c1 ZINC000410998276 477087313 /nfs/dbraw/zinc/08/73/13/477087313.db2.gz QBJMEUHPMRWJHM-ZDUSSCGKSA-N 0 0 334.372 2.635 10 5 EFBERN C[C@@H](C(=O)NCC1(CF)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000452802542 477087318 /nfs/dbraw/zinc/08/73/18/477087318.db2.gz IKJUXYFHQCBBPN-LLVKDONJSA-N 0 0 342.342 2.720 10 5 EFBERN Cc1[nH]nc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000452850586 477107216 /nfs/dbraw/zinc/10/72/16/477107216.db2.gz MPBDMZLATFRXSJ-AWEZNQCLSA-N 0 0 328.372 2.955 10 5 EFBERN O=[N+]([O-])c1ccc(OCc2cncn2Cc2ccccc2)cc1CO ZINC000431861432 477111881 /nfs/dbraw/zinc/11/18/81/477111881.db2.gz LNBDECWWDACKHL-UHFFFAOYSA-N 0 0 339.351 2.911 10 5 EFBERN CCNc1ccc(C(=O)N2CCC[C@H](COC)CC2)cc1[N+](=O)[O-] ZINC000411097261 477111948 /nfs/dbraw/zinc/11/19/48/477111948.db2.gz SODYSWFKHRCNEL-ZDUSSCGKSA-N 0 0 335.404 2.915 10 5 EFBERN CCn1nnc(C)c1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452869265 477113592 /nfs/dbraw/zinc/11/35/92/477113592.db2.gz ZCRVKOXKNLBTOC-AWEZNQCLSA-N 0 0 343.387 2.534 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(Cc2ccccc2Cl)C1 ZINC000371134819 477143899 /nfs/dbraw/zinc/14/38/99/477143899.db2.gz VMXQZEQCNYCTDC-UHFFFAOYSA-N 0 0 347.758 2.664 10 5 EFBERN Cn1nc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2c1CCCC2 ZINC000453023345 477147551 /nfs/dbraw/zinc/14/75/51/477147551.db2.gz OHQHTRFPEDOTFH-UHFFFAOYSA-N 0 0 325.328 2.924 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416376519 477150895 /nfs/dbraw/zinc/15/08/95/477150895.db2.gz VNYFPMUKVMEIIY-ZDUSSCGKSA-N 0 0 349.412 2.779 10 5 EFBERN Cc1nnccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448341381 477164198 /nfs/dbraw/zinc/16/41/98/477164198.db2.gz JBKIZXIKMYZXQO-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000432133629 477164718 /nfs/dbraw/zinc/16/47/18/477164718.db2.gz OEUMULLKSVRWNX-LLVKDONJSA-N 0 0 346.774 2.736 10 5 EFBERN CC(F)(F)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000432136705 477164784 /nfs/dbraw/zinc/16/47/84/477164784.db2.gz QQUYKJGOSXQBCN-UHFFFAOYSA-N 0 0 336.298 2.813 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1CCc1ccccc1 ZINC000371184810 477166530 /nfs/dbraw/zinc/16/65/30/477166530.db2.gz PDVDDBDBVNSLSO-INIZCTEOSA-N 0 0 342.399 2.805 10 5 EFBERN CCN(Cc1ccccn1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416420032 477168193 /nfs/dbraw/zinc/16/81/93/477168193.db2.gz XGAAWDSNIYWESU-UHFFFAOYSA-N 0 0 349.412 2.817 10 5 EFBERN CS(=O)(=O)c1cccnc1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000432154698 477170075 /nfs/dbraw/zinc/17/00/75/477170075.db2.gz QFAITMCPERBZRD-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN Cc1c(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)nn2c1OCCC2 ZINC000453103563 477170118 /nfs/dbraw/zinc/17/01/18/477170118.db2.gz WXZIOOJHLWLTSB-UHFFFAOYSA-N 0 0 341.327 2.908 10 5 EFBERN O=C(c1[nH]ccc1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000457737718 477173005 /nfs/dbraw/zinc/17/30/05/477173005.db2.gz FFZXYIZDDPFMOV-UHFFFAOYSA-N 0 0 327.340 2.704 10 5 EFBERN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@]2(CCOC2)O1 ZINC000366786356 477186997 /nfs/dbraw/zinc/18/69/97/477186997.db2.gz XSCDNMORADZXOL-PBHICJAKSA-N 0 0 349.387 2.705 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c2c(F)ccc3F)cc1 ZINC000432283064 477189227 /nfs/dbraw/zinc/18/92/27/477189227.db2.gz HBJIFLZARNOMAK-UHFFFAOYSA-N 0 0 340.307 2.624 10 5 EFBERN COC[C@H](C)Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453239641 477195197 /nfs/dbraw/zinc/19/51/97/477195197.db2.gz QXHXOODCVUDKDR-SNVBAGLBSA-N 0 0 332.360 2.828 10 5 EFBERN CCc1cc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)n[nH]1 ZINC000453244743 477197959 /nfs/dbraw/zinc/19/79/59/477197959.db2.gz ZFAIJTVKEKQFTM-UHFFFAOYSA-N 0 0 340.343 2.955 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000376194535 477221338 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2.941 10 5 EFBERN CCOC(=O)CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000432962721 477293100 /nfs/dbraw/zinc/29/31/00/477293100.db2.gz SHVLHJAAACOVQH-UHFFFAOYSA-N 0 0 335.360 2.982 10 5 EFBERN COc1cc(C(=O)N2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000367003565 477293148 /nfs/dbraw/zinc/29/31/48/477293148.db2.gz GYINBAVORNIKRA-CQSZACIVSA-N 0 0 344.371 2.704 10 5 EFBERN CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000433041760 477303264 /nfs/dbraw/zinc/30/32/64/477303264.db2.gz XHQZWYFDISAPID-INIZCTEOSA-N 0 0 343.383 2.562 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000376482854 477355537 /nfs/dbraw/zinc/35/55/37/477355537.db2.gz BCOVXWUYMXBASR-SFHVURJKSA-N 0 0 347.415 2.740 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000416898276 477360686 /nfs/dbraw/zinc/36/06/86/477360686.db2.gz BNVCCQFUDLHYIG-ZDUSSCGKSA-N 0 0 348.403 2.733 10 5 EFBERN CC(=O)N1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@H](C)C1 ZINC000448959752 477361043 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337.339 2.541 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000411837672 477387751 /nfs/dbraw/zinc/38/77/51/477387751.db2.gz AFXPBWRPYSOPGB-NSHDSACASA-N 0 0 349.387 2.579 10 5 EFBERN CC1=C[C@@H](C)CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000436001241 477404466 /nfs/dbraw/zinc/40/44/66/477404466.db2.gz BCLDORCJTRLQDY-GFCCVEGCSA-N 0 0 326.356 2.819 10 5 EFBERN CC1=C[C@@H](C)CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000436017429 477406753 /nfs/dbraw/zinc/40/67/53/477406753.db2.gz YECMWFWXKATALX-GFCCVEGCSA-N 0 0 326.356 2.819 10 5 EFBERN COC(=O)[C@H]1CSCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412062848 477407014 /nfs/dbraw/zinc/40/70/14/477407014.db2.gz BSSWSBKQJLNRFB-LLVKDONJSA-N 0 0 344.820 2.586 10 5 EFBERN CC1=C[C@H](C)CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000436017430 477407618 /nfs/dbraw/zinc/40/76/18/477407618.db2.gz YECMWFWXKATALX-LBPRGKRZSA-N 0 0 326.356 2.819 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CC(C)=C[C@@H](C)C2)cc([N+](=O)[O-])c1 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LGBSNVPSALIRSO-UHFFFAOYSA-N 0 0 343.339 2.728 10 5 EFBERN O=[N+]([O-])c1cn(Cc2noc(Cc3ccccc3)n2)nc1C1CC1 ZINC000436183183 477436550 /nfs/dbraw/zinc/43/65/50/477436550.db2.gz IQQFRCVUQRPOEA-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN C[C@H](NC(=O)Cc1ccc2c(c1)NCC2)c1cccc([N+](=O)[O-])c1 ZINC000449100031 477437619 /nfs/dbraw/zinc/43/76/19/477437619.db2.gz VJSMDRIOWOIEHF-LBPRGKRZSA-N 0 0 325.368 2.983 10 5 EFBERN CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436202280 477440889 /nfs/dbraw/zinc/44/08/89/477440889.db2.gz DOSYATBJLGTMEN-UHFFFAOYSA-N 0 0 328.372 2.717 10 5 EFBERN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccc(F)cc1 ZINC000436206831 477441241 /nfs/dbraw/zinc/44/12/41/477441241.db2.gz GVFKFMLHEBEVKD-SNVBAGLBSA-N 0 0 332.335 2.685 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CS1 ZINC000412603595 477448246 /nfs/dbraw/zinc/44/82/46/477448246.db2.gz OWZDQVSMCBVFEJ-VXNVDRBHSA-N 0 0 332.328 2.820 10 5 EFBERN 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Cn1cc(CN2CC3(CC3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594608530 478463525 /nfs/dbraw/zinc/46/35/25/478463525.db2.gz ANIDYPZOPLCNHJ-UHFFFAOYSA-N 0 0 334.326 2.836 10 5 EFBERN Cc1ccsc1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600681081 478466789 /nfs/dbraw/zinc/46/67/89/478466789.db2.gz CPUBDHMTUJHRAS-INIZCTEOSA-N 0 0 345.380 2.932 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@H]2CC=CCC2)C1=O ZINC000600687303 478469303 /nfs/dbraw/zinc/46/93/03/478469303.db2.gz LAFXNPXQOSRGOC-YVEFUNNKSA-N 0 0 329.356 2.718 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000600689662 478470877 /nfs/dbraw/zinc/47/08/77/478470877.db2.gz UKSCOWZRVHOVQO-BMIGLBTASA-N 0 0 341.323 2.810 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000600689665 478471510 /nfs/dbraw/zinc/47/15/10/478471510.db2.gz UKSCOWZRVHOVQO-ZUZCIYMTSA-N 0 0 341.323 2.810 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCC(F)(F)C2)C1=O ZINC000600693254 478472425 /nfs/dbraw/zinc/47/24/25/478472425.db2.gz FNKWGVHWQYUFOQ-RISCZKNCSA-N 0 0 339.298 2.550 10 5 EFBERN C[C@H](C1CCCC1)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600693222 478472988 /nfs/dbraw/zinc/47/29/88/478472988.db2.gz FLWZFYSQDYRVGO-DIFFPNOSSA-N 0 0 331.372 2.941 10 5 EFBERN COc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)cc1F ZINC000600698408 478473655 /nfs/dbraw/zinc/47/36/55/478473655.db2.gz DKGDEDJKZQVHCW-NSHDSACASA-N 0 0 333.319 2.700 10 5 EFBERN CC(C)[C@H](C1CC1)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600700227 478473665 /nfs/dbraw/zinc/47/36/65/478473665.db2.gz JXDOVVKOKGBTBK-PBHICJAKSA-N 0 0 331.372 2.796 10 5 EFBERN CC(C)[C@H](C)NC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591143749 478473978 /nfs/dbraw/zinc/47/39/78/478473978.db2.gz QUFJRLYGEVZVGE-NSHDSACASA-N 0 0 338.383 2.506 10 5 EFBERN C[C@@H]1CC[C@@H](CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000600704587 478475070 /nfs/dbraw/zinc/47/50/70/478475070.db2.gz MJXOWQIYWKVWHB-PSTGCABASA-N 0 0 331.372 2.798 10 5 EFBERN CCSC1(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000600703805 478475121 /nfs/dbraw/zinc/47/51/21/478475121.db2.gz TWMAYBAWXUNUFZ-HNNXBMFYSA-N 0 0 349.412 2.648 10 5 EFBERN CC(C)OCCCCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600704393 478475667 /nfs/dbraw/zinc/47/56/67/478475667.db2.gz VEOFSIUXFYQXFJ-QGZVFWFLSA-N 0 0 349.387 2.567 10 5 EFBERN Cc1cscc1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703949 478475897 /nfs/dbraw/zinc/47/58/97/478475897.db2.gz MCQFEGBPECEDRU-INIZCTEOSA-N 0 0 345.380 2.932 10 5 EFBERN C[C@@H]1CC[C@H](CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000600704586 478475906 /nfs/dbraw/zinc/47/59/06/478475906.db2.gz MJXOWQIYWKVWHB-PEBVRCNWSA-N 0 0 331.372 2.798 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@@H]2C[C@H]2C2CCC2)C1=O ZINC000600706543 478476659 /nfs/dbraw/zinc/47/66/59/478476659.db2.gz RIAHGMPEUGYXKS-XLWVJDPXSA-N 0 0 343.383 2.798 10 5 EFBERN CC(C)[C@]1(C)C[C@H]1N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600705843 478476809 /nfs/dbraw/zinc/47/68/09/478476809.db2.gz QKAREPVPXKPUFW-XOKHGSTOSA-N 0 0 331.372 2.796 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCCC[C@H]2F)C1=O ZINC000600709911 478479516 /nfs/dbraw/zinc/47/95/16/478479516.db2.gz ZJOZTQDHBNOTKP-XJKCOSOUSA-N 0 0 335.335 2.643 10 5 EFBERN C[NH+](C)CC1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000563204489 478480286 /nfs/dbraw/zinc/48/02/86/478480286.db2.gz MZGYHEYVYOOZRZ-UHFFFAOYSA-N 0 0 335.404 2.754 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cn[nH]c1 ZINC000597727222 478481567 /nfs/dbraw/zinc/48/15/67/478481567.db2.gz KYJYHCKTPDCAKW-AWEZNQCLSA-N 0 0 332.385 2.774 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H]1c1cn[nH]c1 ZINC000597730075 478484173 /nfs/dbraw/zinc/48/41/73/478484173.db2.gz WOZIESBZOFMZGA-ZDUSSCGKSA-N 0 0 325.328 2.777 10 5 EFBERN O=C(NCCC1CC(O)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000570978712 478494574 /nfs/dbraw/zinc/49/45/74/478494574.db2.gz KABIAZONEMLWRX-UHFFFAOYSA-N 0 0 336.391 2.572 10 5 EFBERN C[C@H]1CCCCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571014510 478498190 /nfs/dbraw/zinc/49/81/90/478498190.db2.gz INXLGMGRFNIRTC-NSHDSACASA-N 0 0 331.376 2.945 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)CCN(C)C2=O ZINC000594707857 478505740 /nfs/dbraw/zinc/50/57/40/478505740.db2.gz IQSCABIQLQCHNO-UHFFFAOYSA-N 0 0 341.367 2.844 10 5 EFBERN COc1cc(CNc2ccc3c(c2)CCN(C)C3=O)ccc1[N+](=O)[O-] ZINC000594708229 478505951 /nfs/dbraw/zinc/50/59/51/478505951.db2.gz WUQMQNGODKRCQP-UHFFFAOYSA-N 0 0 341.367 2.844 10 5 EFBERN O=[N+]([O-])c1ccc(CNc2ccn(C3CCOCC3)n2)c(Cl)c1 ZINC000594707825 478506462 /nfs/dbraw/zinc/50/64/62/478506462.db2.gz ZPGAELMFIQYTIQ-UHFFFAOYSA-N 0 0 336.779 2.830 10 5 EFBERN CN(CC(=O)N1CC(Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000600758646 478507101 /nfs/dbraw/zinc/50/71/01/478507101.db2.gz ACJMYJYNAFGIBQ-UHFFFAOYSA-N 0 0 345.424 2.794 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC(Cc2cccs2)C1 ZINC000600759086 478507184 /nfs/dbraw/zinc/50/71/84/478507184.db2.gz DFXDDKAGKSBDAG-UHFFFAOYSA-N 0 0 346.364 2.700 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC(Cc2cccs2)C1 ZINC000600761869 478508237 /nfs/dbraw/zinc/50/82/37/478508237.db2.gz APMZQPHIJFLSMC-UHFFFAOYSA-N 0 0 332.381 2.736 10 5 EFBERN C[C@]12CCCC[C@H]1CN2C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600760402 478508368 /nfs/dbraw/zinc/50/83/68/478508368.db2.gz SLUKAXNMZBVBIK-KSSFIOAISA-N 0 0 345.399 2.506 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600772996 478513909 /nfs/dbraw/zinc/51/39/09/478513909.db2.gz LRGWWVZLPJPERK-ZDUSSCGKSA-N 0 0 342.351 2.939 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600776666 478514801 /nfs/dbraw/zinc/51/48/01/478514801.db2.gz WXBVAQFWZRQRBC-CQSZACIVSA-N 0 0 342.351 2.695 10 5 EFBERN CNc1c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC000600778351 478516012 /nfs/dbraw/zinc/51/60/12/478516012.db2.gz YTNVCNHPVMITLH-ZDUSSCGKSA-N 0 0 341.367 2.972 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cncc2c1CCCC2 ZINC000594726005 478516474 /nfs/dbraw/zinc/51/64/74/478516474.db2.gz KGWOKBJZHDUGNG-UHFFFAOYSA-N 0 0 347.396 2.811 10 5 EFBERN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594734308 478520483 /nfs/dbraw/zinc/52/04/83/478520483.db2.gz WGOOAFUOOORKIH-MNOVXSKESA-N 0 0 332.278 2.680 10 5 EFBERN Cc1cc(NC[C@@H](CC(=O)[O-])C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000594736794 478522489 /nfs/dbraw/zinc/52/24/89/478522489.db2.gz VJIOIARFMVXPIU-GFCCVEGCSA-N 0 0 329.356 2.786 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](F)C2)c(C)cc1[N+](=O)[O-] ZINC000591327856 478523691 /nfs/dbraw/zinc/52/36/91/478523691.db2.gz UCHMEAZZTQUNSL-CABZTGNLSA-N 0 0 330.381 2.580 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(NC[C@H]3CCCO3)nc2)c1 ZINC000600794352 478525707 /nfs/dbraw/zinc/52/57/07/478525707.db2.gz SSFXWVWNLJPMGM-MRXNPFEDSA-N 0 0 343.383 2.783 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H]1c1cccs1 ZINC000594744481 478526502 /nfs/dbraw/zinc/52/65/02/478526502.db2.gz LVYADOLTJPTZBU-SNVBAGLBSA-N 0 0 339.398 2.577 10 5 EFBERN CC(C)c1ccc(CN(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594745529 478527231 /nfs/dbraw/zinc/52/72/31/478527231.db2.gz UMDKSOCYQTUBMG-UHFFFAOYSA-N 0 0 349.412 2.934 10 5 EFBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCCC12CC2 ZINC000600807565 478530068 /nfs/dbraw/zinc/53/00/68/478530068.db2.gz ZZATZHJXIFMCFK-CHWSQXEVSA-N 0 0 349.435 2.524 10 5 EFBERN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)c1 ZINC000594750542 478530562 /nfs/dbraw/zinc/53/05/62/478530562.db2.gz LJMAGDJSEFEGLB-CYBMUJFWSA-N 0 0 349.412 2.988 10 5 EFBERN Cc1cc(C)cc([C@@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594753371 478531592 /nfs/dbraw/zinc/53/15/92/478531592.db2.gz ACTFVLRSZAVFFY-GFCCVEGCSA-N 0 0 335.385 2.646 10 5 EFBERN CC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753724 478531733 /nfs/dbraw/zinc/53/17/33/478531733.db2.gz LUIYBMIXBPLFQS-CQSZACIVSA-N 0 0 347.396 2.688 10 5 EFBERN C[C@@H](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000600816166 478532206 /nfs/dbraw/zinc/53/22/06/478532206.db2.gz DSLMHKNCTZFLDD-ZETCQYMHSA-N 0 0 343.265 2.907 10 5 EFBERN CC(C)[C@@H](C)CNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756842 478533115 /nfs/dbraw/zinc/53/31/15/478533115.db2.gz BTFNRBZWIUHKFC-NSHDSACASA-N 0 0 337.401 2.713 10 5 EFBERN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cncnc1 ZINC000600820613 478533354 /nfs/dbraw/zinc/53/33/54/478533354.db2.gz QNQQGZZPJOWHCO-LBPRGKRZSA-N 0 0 326.356 2.680 10 5 EFBERN CC(C)C[C@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762100 478534937 /nfs/dbraw/zinc/53/49/37/478534937.db2.gz YQPBBTUEGVJGAQ-GFCCVEGCSA-N 0 0 327.406 2.579 10 5 EFBERN CC(C)c1cccc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594768149 478535732 /nfs/dbraw/zinc/53/57/32/478535732.db2.gz TVAMWXPYRNZYAH-UHFFFAOYSA-N 0 0 335.385 2.592 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1cccs1)C(C)(C)CO ZINC000597845572 478537530 /nfs/dbraw/zinc/53/75/30/478537530.db2.gz JETWMWNVSABJBR-CQSZACIVSA-N 0 0 349.412 2.849 10 5 EFBERN CCC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000594784412 478539913 /nfs/dbraw/zinc/53/99/13/478539913.db2.gz WZQOCAAAYISSAI-LBPRGKRZSA-N 0 0 327.406 2.627 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCNC(=O)[C@H]2c2ccccc2C)n1 ZINC000600842977 478541290 /nfs/dbraw/zinc/54/12/90/478541290.db2.gz WQBHFIJEYVLTBS-MRXNPFEDSA-N 0 0 340.383 2.593 10 5 EFBERN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000597864074 478549943 /nfs/dbraw/zinc/54/99/43/478549943.db2.gz LOHGYSHZZOUUCS-JTQLQIEISA-N 0 0 335.310 2.730 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)c1ccccn1 ZINC000597866848 478550750 /nfs/dbraw/zinc/55/07/50/478550750.db2.gz ZPFCSTYOYSFTST-GFCCVEGCSA-N 0 0 329.356 2.922 10 5 EFBERN C[C@@H]1C[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000571256437 478551646 /nfs/dbraw/zinc/55/16/46/478551646.db2.gz WGPRHUPHJDBOFV-RNJOBUHISA-N 0 0 345.399 2.841 10 5 EFBERN Cc1ccnc([C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)c1 ZINC000582251282 478553326 /nfs/dbraw/zinc/55/33/26/478553326.db2.gz PVKXBACLDREJBA-LBPRGKRZSA-N 0 0 326.356 2.510 10 5 EFBERN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)C[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000600892734 478554073 /nfs/dbraw/zinc/55/40/73/478554073.db2.gz ZSTMFIYWVWZJAC-ILWJIGKKSA-N 0 0 331.340 2.834 10 5 EFBERN O=C(NCCc1ccccn1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600890520 478554492 /nfs/dbraw/zinc/55/44/92/478554492.db2.gz BDQOENVBICNKPA-UHFFFAOYSA-N 0 0 325.368 2.770 10 5 EFBERN CC(C)CCc1nnc(NC(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000597873851 478555217 /nfs/dbraw/zinc/55/52/17/478555217.db2.gz XFEUKVJKVVDVHM-UHFFFAOYSA-N 0 0 335.389 2.869 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cncc2c1CCCC2 ZINC000597875004 478556511 /nfs/dbraw/zinc/55/65/11/478556511.db2.gz UIPXMJDCHGAPPL-UHFFFAOYSA-N 0 0 327.340 2.886 10 5 EFBERN CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000597886692 478559385 /nfs/dbraw/zinc/55/93/85/478559385.db2.gz PVVKHEGTZNZPGW-ZDUSSCGKSA-N 0 0 334.351 2.701 10 5 EFBERN CC1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000594845021 478559410 /nfs/dbraw/zinc/55/94/10/478559410.db2.gz WXCBEGZNINARIO-UHFFFAOYSA-N 0 0 341.433 2.827 10 5 EFBERN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCC(OC(F)F)CC1 ZINC000591461900 478559897 /nfs/dbraw/zinc/55/98/97/478559897.db2.gz BYTJDSPWLIDDQW-UHFFFAOYSA-N 0 0 329.303 2.656 10 5 EFBERN Cc1ccc([C@@H]2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)cc1 ZINC000591461446 478560162 /nfs/dbraw/zinc/56/01/62/478560162.db2.gz IKPRNRKSBYOGFL-CQSZACIVSA-N 0 0 325.368 2.996 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@]1(C)CC1(F)F ZINC000594850126 478560826 /nfs/dbraw/zinc/56/08/26/478560826.db2.gz BWWMLLQHBMFJLY-GFCCVEGCSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594856074 478561234 /nfs/dbraw/zinc/56/12/34/478561234.db2.gz JCAVJJQDQSQNTJ-LBPRGKRZSA-N 0 0 330.381 2.664 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594856247 478561514 /nfs/dbraw/zinc/56/15/14/478561514.db2.gz KPVJCJMIKZSBPM-ZDUSSCGKSA-N 0 0 344.408 2.539 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCc2cccc(O)c21 ZINC000582292975 478561633 /nfs/dbraw/zinc/56/16/33/478561633.db2.gz VJEJEWDSTYHXLU-CQSZACIVSA-N 0 0 326.352 2.989 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000594856102 478561907 /nfs/dbraw/zinc/56/19/07/478561907.db2.gz JSSXJOWFPYANKC-GFCCVEGCSA-N 0 0 330.381 2.664 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000594857433 478562524 /nfs/dbraw/zinc/56/25/24/478562524.db2.gz PTFWLPBTDIFTBK-CYBMUJFWSA-N 0 0 344.408 2.972 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594857623 478562616 /nfs/dbraw/zinc/56/26/16/478562616.db2.gz MLEOYKKGDZPZDG-ZDUSSCGKSA-N 0 0 348.371 2.925 10 5 EFBERN Cn1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)nnc1C1CC1 ZINC000597897111 478562600 /nfs/dbraw/zinc/56/26/00/478562600.db2.gz JUSMIXVFUQAXNI-UHFFFAOYSA-N 0 0 327.300 2.599 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@]2(C)CC2(F)F)c1C ZINC000594857934 478563040 /nfs/dbraw/zinc/56/30/40/478563040.db2.gz PYWZAPUPALJKFO-CYBMUJFWSA-N 0 0 348.371 2.925 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000594858486 478563574 /nfs/dbraw/zinc/56/35/74/478563574.db2.gz VGQILHVEEWZVTP-LBPRGKRZSA-N 0 0 330.381 2.664 10 5 EFBERN Cc1cnn(C)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597898676 478564421 /nfs/dbraw/zinc/56/44/21/478564421.db2.gz MWVVIDATSURGMP-UHFFFAOYSA-N 0 0 338.751 2.698 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nnc(C2CC2)n1C ZINC000597899236 478564704 /nfs/dbraw/zinc/56/47/04/478564704.db2.gz XPNOINKHLFRSST-UHFFFAOYSA-N 0 0 335.751 2.815 10 5 EFBERN CC[C@@H]1CN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000591505185 478569629 /nfs/dbraw/zinc/56/96/29/478569629.db2.gz ADCIJIOZYNJFGX-HUUCEWRRSA-N 0 0 336.388 2.771 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1C(F)(F)F ZINC000591509945 478571655 /nfs/dbraw/zinc/57/16/55/478571655.db2.gz UKYNURCJYYCPMG-GFCCVEGCSA-N 0 0 332.278 2.615 10 5 EFBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](CO)C1CCC1 ZINC000597917156 478573557 /nfs/dbraw/zinc/57/35/57/478573557.db2.gz AOCIWLHASSMIRP-NSHDSACASA-N 0 0 344.820 2.618 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2ccco2)CC1 ZINC000597920473 478574105 /nfs/dbraw/zinc/57/41/05/478574105.db2.gz AWYPYHBQGSKDOK-UHFFFAOYSA-N 0 0 330.340 2.973 10 5 EFBERN O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594889408 478574588 /nfs/dbraw/zinc/57/45/88/478574588.db2.gz DRDGKINWLALNDP-BBBLOLIVSA-N 0 0 327.178 2.955 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](CC)COCC2CC2)cc1[N+](=O)[O-] ZINC000597919380 478574628 /nfs/dbraw/zinc/57/46/28/478574628.db2.gz LKJBODNUDNLBAZ-CQSZACIVSA-N 0 0 336.388 2.929 10 5 EFBERN CO[C@@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000594892297 478575393 /nfs/dbraw/zinc/57/53/93/478575393.db2.gz SHAYRLRLVJCHPQ-LBPRGKRZSA-N 0 0 345.193 2.724 10 5 EFBERN CO[C@H](CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C1CCC1 ZINC000594894798 478575656 /nfs/dbraw/zinc/57/56/56/478575656.db2.gz GOGYHYGINPEIJT-CQSZACIVSA-N 0 0 349.412 2.749 10 5 EFBERN CC[C@H](COCC1CC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597922200 478576525 /nfs/dbraw/zinc/57/65/25/478576525.db2.gz ZJBTWWALPREXAQ-OAHLLOKOSA-N 0 0 345.399 2.871 10 5 EFBERN CSc1cccc(C(=O)N2CCO[C@@](C)(C3CC3)C2)c1[N+](=O)[O-] ZINC000597924022 478577865 /nfs/dbraw/zinc/57/78/65/478577865.db2.gz OUWZSSTYTSLLCD-MRXNPFEDSA-N 0 0 336.413 2.958 10 5 EFBERN C[C@@]1(C2CC2)CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000597922873 478578086 /nfs/dbraw/zinc/57/80/86/478578086.db2.gz KCCGDPOASSCGQL-SFHVURJKSA-N 0 0 343.383 2.577 10 5 EFBERN C[C@@H](C(=O)N1CCO[C@](C)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597925761 478579438 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Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC3(CCC3)OC[C@@H]2C)c1 ZINC000598055653 478637967 /nfs/dbraw/zinc/63/79/67/478637967.db2.gz UKHRQZXXPMEWAD-AWEZNQCLSA-N 0 0 348.399 2.842 10 5 EFBERN COC(=O)C12CC(C1)CN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598057334 478638921 /nfs/dbraw/zinc/63/89/21/478638921.db2.gz GKVVCZYBCRZWKI-UHFFFAOYSA-N 0 0 346.364 2.587 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000598060177 478638974 /nfs/dbraw/zinc/63/89/74/478638974.db2.gz OTUAAFUHGYRKTQ-UMSPYCQHSA-N 0 0 332.278 2.911 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598062015 478640249 /nfs/dbraw/zinc/64/02/49/478640249.db2.gz TYDKRMDWGXEKOH-UHFFFAOYSA-N 0 0 336.363 2.552 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000598061720 478640334 /nfs/dbraw/zinc/64/03/34/478640334.db2.gz GIPSIDUHQSGXNA-UHFFFAOYSA-N 0 0 343.383 2.965 10 5 EFBERN CC(C)[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000598062677 478640408 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332.286 2.737 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCOC[C@@H]1CC1CCC1 ZINC000601169929 478703132 /nfs/dbraw/zinc/70/31/32/478703132.db2.gz SCUSHAPGAYPDGG-JTQLQIEISA-N 0 0 348.325 2.743 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCOC[C@H]1CC1CCC1 ZINC000601169930 478703467 /nfs/dbraw/zinc/70/34/67/478703467.db2.gz SCUSHAPGAYPDGG-SNVBAGLBSA-N 0 0 348.325 2.743 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000582851348 478704299 /nfs/dbraw/zinc/70/42/99/478704299.db2.gz MSRXWFGEIBLIGY-KPZWWZAWSA-N 0 0 346.358 2.905 10 5 EFBERN O=[N+]([O-])c1ccc2nccc(N3CC[C@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000601171957 478704307 /nfs/dbraw/zinc/70/43/07/478704307.db2.gz SWVBKKQHUPCFSM-XPTSAGLGSA-N 0 0 341.289 2.893 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000598207662 478704505 /nfs/dbraw/zinc/70/45/05/478704505.db2.gz JRFYQXFYVRPCCX-WMZOPIPTSA-N 0 0 340.379 2.826 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000601171339 478704855 /nfs/dbraw/zinc/70/48/55/478704855.db2.gz MJOURZFRMNXIQA-VHSXEESVSA-N 0 0 330.310 2.972 10 5 EFBERN CO[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C12CCC2 ZINC000601173909 478705967 /nfs/dbraw/zinc/70/59/67/478705967.db2.gz MFNDLARNFCVLGJ-HTQZYQBOSA-N 0 0 334.298 2.717 10 5 EFBERN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601175030 478706073 /nfs/dbraw/zinc/70/60/73/478706073.db2.gz KDQAPQVLVMALKU-GHMZBOCLSA-N 0 0 339.367 2.933 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598210933 478706269 /nfs/dbraw/zinc/70/62/69/478706269.db2.gz ZXMKGJPBYRPPLY-HEHGZKQESA-N 0 0 340.383 2.947 10 5 EFBERN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)O1 ZINC000598211924 478706543 /nfs/dbraw/zinc/70/65/43/478706543.db2.gz IFVDXEWJBYUTME-HIFRSBDPSA-N 0 0 347.415 2.882 10 5 EFBERN CCOC(=O)Cc1ccc(NCC2(CCO)CCC2)c([N+](=O)[O-])c1 ZINC000591922010 478706590 /nfs/dbraw/zinc/70/65/90/478706590.db2.gz FFUIRNMNGMOVDT-UHFFFAOYSA-N 0 0 336.388 2.665 10 5 EFBERN C[C@H]1CCC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)O1 ZINC000598212133 478706591 /nfs/dbraw/zinc/70/65/91/478706591.db2.gz IMBJSQSCOXUKGK-GXSJLCMTSA-N 0 0 344.314 2.884 10 5 EFBERN C[C@@]1(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1(F)F ZINC000598216840 478708244 /nfs/dbraw/zinc/70/82/44/478708244.db2.gz QWQZZJJXJXRDLT-AWEZNQCLSA-N 0 0 336.298 2.760 10 5 EFBERN C[C@H]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)O1 ZINC000598215262 478708309 /nfs/dbraw/zinc/70/83/09/478708309.db2.gz XDTGRIDKDZKDIG-JQWIXIFHSA-N 0 0 345.355 2.536 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](c2cccnc2)C1 ZINC000601181124 478708616 /nfs/dbraw/zinc/70/86/16/478708616.db2.gz GLQTUIIRBKRENO-JTQLQIEISA-N 0 0 341.293 2.736 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCN(c3ccccn3)C1)CCCC2 ZINC000591924404 478709354 /nfs/dbraw/zinc/70/93/54/478709354.db2.gz MLJPSXVRETVDPG-CQSZACIVSA-N 0 0 339.399 2.954 10 5 EFBERN COc1ccnc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1F ZINC000598219183 478709446 /nfs/dbraw/zinc/70/94/46/478709446.db2.gz CYGLZGVWCIRDKC-UHFFFAOYSA-N 0 0 333.319 2.684 10 5 EFBERN CCOC(=O)c1cc(C(=O)NC[C@]2(C)CC2(F)F)cc([N+](=O)[O-])c1 ZINC000598219618 478709487 /nfs/dbraw/zinc/70/94/87/478709487.db2.gz SMDRMHAGCJQPSP-AWEZNQCLSA-N 0 0 342.298 2.547 10 5 EFBERN Cc1sc(C(=O)N[C@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000598221035 478710986 /nfs/dbraw/zinc/71/09/86/478710986.db2.gz NFWZWEQPSCHBHX-LLVKDONJSA-N 0 0 336.344 2.837 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC2(CC2(F)F)CC1 ZINC000601184220 478711459 /nfs/dbraw/zinc/71/14/59/478711459.db2.gz JBOATFIEGLNMFS-UHFFFAOYSA-N 0 0 340.252 2.973 10 5 EFBERN C[C@]1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1(F)F ZINC000598220244 478711993 /nfs/dbraw/zinc/71/19/93/478711993.db2.gz ZPZAIORVDKVBEN-CQSZACIVSA-N 0 0 336.298 2.556 10 5 EFBERN CC[C@@H]1CO[C@@H](CC)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601184303 478712344 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Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3cccnc23)n1 ZINC000543718219 478771807 /nfs/dbraw/zinc/77/18/07/478771807.db2.gz SPIOGJWQZLYGKY-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CO[C@@H](CC(C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583132474 478772123 /nfs/dbraw/zinc/77/21/23/478772123.db2.gz UCAYGFHKQOFKOT-INIZCTEOSA-N 0 0 333.388 2.796 10 5 EFBERN CC1(C)[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(F)F ZINC000598335831 478772104 /nfs/dbraw/zinc/77/21/04/478772104.db2.gz ANOCMOGZBOMYEE-NSHDSACASA-N 0 0 334.269 2.823 10 5 EFBERN CCOC(=O)c1c(C)n[nH]c1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595427074 478773625 /nfs/dbraw/zinc/77/36/25/478773625.db2.gz WWBDEYLHGPHYNQ-SNVBAGLBSA-N 0 0 332.360 2.654 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCC(O)CC1 ZINC000598340591 478775416 /nfs/dbraw/zinc/77/54/16/478775416.db2.gz NHVCXQCSOYKIEO-LKSINWNRSA-N 0 0 338.429 2.743 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c2ncccc12 ZINC000592107362 478778595 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CC(C)[C@H](O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000598351294 478783121 /nfs/dbraw/zinc/78/31/21/478783121.db2.gz OBOZNLLFCIGMLU-SJORKVTESA-N 0 0 343.383 2.665 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)C1 ZINC000543797550 478786203 /nfs/dbraw/zinc/78/62/03/478786203.db2.gz ZHFAOSDQFMANRK-PIGZYNQJSA-N 0 0 332.356 2.976 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000592131460 478789279 /nfs/dbraw/zinc/78/92/79/478789279.db2.gz YRRVDSJDUJNGOZ-HZMBPMFUSA-N 0 0 348.321 2.739 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCC(F)CC1 ZINC000598368256 478789494 /nfs/dbraw/zinc/78/94/94/478789494.db2.gz ZWHXGSDGJUWWNL-XNWIYYODSA-N 0 0 327.331 2.963 10 5 EFBERN O=[N+]([O-])c1ccccc1CN(Cc1c[nH]cn1)[C@H]1CC[C@H](O)CC1 ZINC000592133086 478791144 /nfs/dbraw/zinc/79/11/44/478791144.db2.gz SGJXHQFZKGCKCR-WKILWMFISA-N 0 0 330.388 2.624 10 5 EFBERN Cc1c(C(=O)N[C@@H](C(C)C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000598379596 478796035 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EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000598393462 478801402 /nfs/dbraw/zinc/80/14/02/478801402.db2.gz JUCVCKFDEPQJTM-NWDGAFQWSA-N 0 0 336.413 2.815 10 5 EFBERN CCc1n[nH]c(C(=O)NCC(F)(F)c2ccccc2C)c1[N+](=O)[O-] ZINC000598393389 478801775 /nfs/dbraw/zinc/80/17/75/478801775.db2.gz HTAZBTDTIOYFQC-UHFFFAOYSA-N 0 0 338.314 2.711 10 5 EFBERN C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595471809 478804297 /nfs/dbraw/zinc/80/42/97/478804297.db2.gz QVYYMPAGRJSQRL-BMIGLBTASA-N 0 0 343.330 2.549 10 5 EFBERN C[C@H](O)C[C@H]1CCCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601365836 478804694 /nfs/dbraw/zinc/80/46/94/478804694.db2.gz XRIHZIVPKIJGJU-XJKSGUPXSA-N 0 0 332.400 2.778 10 5 EFBERN Cn1ncc(C2CCC2)c1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595474758 478805956 /nfs/dbraw/zinc/80/59/56/478805956.db2.gz DWESUGAECQCRCL-UHFFFAOYSA-N 0 0 343.387 2.595 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000583268650 478807263 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10 5 EFBERN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601402779 478820695 /nfs/dbraw/zinc/82/06/95/478820695.db2.gz WCLAPABXTVZSMB-UONOGXRCSA-N 0 0 331.416 2.568 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCCc3occc3C2)c([N+](=O)[O-])s1 ZINC000601416907 478825541 /nfs/dbraw/zinc/82/55/41/478825541.db2.gz COMKSIJPKKXWPY-UHFFFAOYSA-N 0 0 342.398 2.695 10 5 EFBERN C[C@@H]1C[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601414245 478826009 /nfs/dbraw/zinc/82/60/09/478826009.db2.gz UPVLRTXRXJNMFR-NRUUGDAUSA-N 0 0 326.780 2.720 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nccnc2C1 ZINC000598442272 478826571 /nfs/dbraw/zinc/82/65/71/478826571.db2.gz XXZGDSQJKPKFCQ-UHFFFAOYSA-N 0 0 344.396 2.695 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[C@](C)(CO)C1 ZINC000598443245 478827116 /nfs/dbraw/zinc/82/71/16/478827116.db2.gz WFPOVDIWFTVCME-BONVTDFDSA-N 0 0 326.780 2.647 10 5 EFBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCCOC1 ZINC000601417763 478827256 /nfs/dbraw/zinc/82/72/56/478827256.db2.gz CEMCNWKGBYUOLQ-ZIAGYGMSSA-N 0 0 332.400 2.948 10 5 EFBERN C[C@H]1CC2(CCC2)CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583359210 478829927 /nfs/dbraw/zinc/82/99/27/478829927.db2.gz OXGBQWUUQWOEQO-ZDUSSCGKSA-N 0 0 333.388 2.948 10 5 EFBERN CC1(C)OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598453743 478832134 /nfs/dbraw/zinc/83/21/34/478832134.db2.gz IREGRKPISRKQBG-SECBINFHSA-N 0 0 344.314 2.741 10 5 EFBERN CC1(C)OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598453773 478832425 /nfs/dbraw/zinc/83/24/25/478832425.db2.gz JMZLRPGVNUZMAM-LLVKDONJSA-N 0 0 329.356 2.688 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598454216 478832790 /nfs/dbraw/zinc/83/27/90/478832790.db2.gz BDMKQWFSMRWOKV-MORSLUCNSA-N 0 0 341.342 2.600 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598456751 478833135 /nfs/dbraw/zinc/83/31/35/478833135.db2.gz LLTZRAROIJAESN-OWCLPIDISA-N 0 0 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ZINC000544436789 478835755 /nfs/dbraw/zinc/83/57/55/478835755.db2.gz CJBAPNGKUAONGO-UHFFFAOYSA-N 0 0 327.384 2.989 10 5 EFBERN CC(C)(C)C(F)(F)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000598466738 478838107 /nfs/dbraw/zinc/83/81/07/478838107.db2.gz YXURRHDNFDPVMI-UHFFFAOYSA-N 0 0 344.314 2.777 10 5 EFBERN CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc1C ZINC000598466631 478838153 /nfs/dbraw/zinc/83/81/53/478838153.db2.gz FIWGBEUBQHSSOC-UHFFFAOYSA-N 0 0 331.328 2.714 10 5 EFBERN CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)nc1C ZINC000598468239 478839076 /nfs/dbraw/zinc/83/90/76/478839076.db2.gz DTTSSCLRLXJQKT-UHFFFAOYSA-N 0 0 331.328 2.958 10 5 EFBERN CC[C@@H]1COC(C)(C)CN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601453541 478839321 /nfs/dbraw/zinc/83/93/21/478839321.db2.gz MNYZHQWFIRWYST-SNVBAGLBSA-N 0 0 348.446 2.543 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2CCc3nccnc3C2)cc1[N+](=O)[O-] ZINC000595542430 478843686 /nfs/dbraw/zinc/84/36/86/478843686.db2.gz FMXJEJIPCPVNGD-LBPRGKRZSA-N 0 0 341.371 2.522 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595544258 478844788 /nfs/dbraw/zinc/84/47/88/478844788.db2.gz NODXQVWJRZGKHK-NTZNESFSSA-N 0 0 344.375 2.561 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2CCCc3c(C)cccc32)c1[N+](=O)[O-] ZINC000598477859 478845241 /nfs/dbraw/zinc/84/52/41/478845241.db2.gz QTUPSQFDANROBL-OAHLLOKOSA-N 0 0 340.383 2.569 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000595544198 478845234 /nfs/dbraw/zinc/84/52/34/478845234.db2.gz NEHDEBDXGHICEB-DXCKQFNASA-N 0 0 333.388 2.642 10 5 EFBERN Cc1cccc2c1CCC[C@H]2NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598479822 478848561 /nfs/dbraw/zinc/84/85/61/478848561.db2.gz UVHUCGQYQWKERE-CQSZACIVSA-N 0 0 327.340 2.811 10 5 EFBERN C[C@H](C1CC1)N(c1ccccc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601483742 478850471 /nfs/dbraw/zinc/85/04/71/478850471.db2.gz DBTKCQYDRQSCGZ-GFCCVEGCSA-N 0 0 347.396 2.984 10 5 EFBERN CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccco1 ZINC000601481659 478850601 /nfs/dbraw/zinc/85/06/01/478850601.db2.gz HQBMBMMRGVSXOV-CQSZACIVSA-N 0 0 336.369 2.960 10 5 EFBERN Cc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c(Cl)c1C ZINC000592274014 478850533 /nfs/dbraw/zinc/85/05/33/478850533.db2.gz KSQVARBZZQJXSW-UHFFFAOYSA-N 0 0 337.767 2.883 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000601502714 478854355 /nfs/dbraw/zinc/85/43/55/478854355.db2.gz WWCQAKKVWCWOLS-ZANVPECISA-N 0 0 330.793 2.859 10 5 EFBERN CC(C)(C)OC(=O)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000598495807 478858564 /nfs/dbraw/zinc/85/85/64/478858564.db2.gz WJGWNHPPEXKIJS-UHFFFAOYSA-N 0 0 334.372 2.837 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3cccnc3)C2)cc1 ZINC000601514204 478860563 /nfs/dbraw/zinc/86/05/63/478860563.db2.gz FOLCAALJDYWYOM-AWEZNQCLSA-N 0 0 347.396 2.558 10 5 EFBERN O=C(c1cscc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000601538644 478869667 /nfs/dbraw/zinc/86/96/67/478869667.db2.gz MPWFVNULQKIGQJ-UHFFFAOYSA-N 0 0 340.792 2.984 10 5 EFBERN COc1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)nc1 ZINC000601541574 478871104 /nfs/dbraw/zinc/87/11/04/478871104.db2.gz YNPTXLYIFOZNIS-UHFFFAOYSA-N 0 0 341.367 2.737 10 5 EFBERN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000598509956 478871108 /nfs/dbraw/zinc/87/11/08/478871108.db2.gz VQYUXAFINUGDKJ-CMPLNLGQSA-N 0 0 346.305 2.706 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000598509964 478871294 /nfs/dbraw/zinc/87/12/94/478871294.db2.gz VQYUXAFINUGDKJ-ZYHUDNBSSA-N 0 0 346.305 2.706 10 5 EFBERN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000598510451 478871518 /nfs/dbraw/zinc/87/15/18/478871518.db2.gz WKLKIUKRXHZAOV-GWCFXTLKSA-N 0 0 346.305 2.706 10 5 EFBERN C[C@]1(C2CCCCC2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000601541374 478872155 /nfs/dbraw/zinc/87/21/55/478872155.db2.gz VIDUPYJYDJHALE-OAHLLOKOSA-N 0 0 339.417 2.723 10 5 EFBERN O=C(N[C@@H](CO)CC1CCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601548019 478874223 /nfs/dbraw/zinc/87/42/23/478874223.db2.gz VYQPFCQNCUNDPS-OAHLLOKOSA-N 0 0 332.400 2.684 10 5 EFBERN Cc1ccc(NS(=O)(=O)CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000592382427 478874677 /nfs/dbraw/zinc/87/46/77/478874677.db2.gz MYYOXINMOOYQJP-UHFFFAOYSA-N 0 0 342.417 2.852 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601557443 478876814 /nfs/dbraw/zinc/87/68/14/478876814.db2.gz AVRHYGJHEXEGAB-IRXDYDNUSA-N 0 0 347.415 2.784 10 5 EFBERN O=C(N1CC(C2CCOCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601559844 478879618 /nfs/dbraw/zinc/87/96/18/478879618.db2.gz FDFUQPXWHKHZLE-UHFFFAOYSA-N 0 0 344.411 2.902 10 5 EFBERN COc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)O)cc([N+](=O)[O-])c1C ZINC000598539581 478885481 /nfs/dbraw/zinc/88/54/81/478885481.db2.gz LPLSSNZXIUYEGA-YVEFUNNKSA-N 0 0 344.367 2.764 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000601570871 478885803 /nfs/dbraw/zinc/88/58/03/478885803.db2.gz LBVNJXDWGSZQIJ-JKSUJKDBSA-N 0 0 332.400 2.658 10 5 EFBERN CCN1C[C@H](c2noc(/C=C(\C)c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000592418148 478889599 /nfs/dbraw/zinc/88/95/99/478889599.db2.gz YWTOPAJXHICDOU-RUNBWSAHSA-N 0 0 342.355 2.874 10 5 EFBERN O=C(N=c1cc2n([nH]1)CCCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601580134 478889904 /nfs/dbraw/zinc/88/99/04/478889904.db2.gz GQLBWKRTILUXBB-UHFFFAOYSA-N 0 0 340.383 2.610 10 5 EFBERN Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565033999 478891455 /nfs/dbraw/zinc/89/14/55/478891455.db2.gz DCWUPJUCHJRMSP-SWLSCSKDSA-N 0 0 333.388 2.522 10 5 EFBERN Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565033996 478891506 /nfs/dbraw/zinc/89/15/06/478891506.db2.gz DCWUPJUCHJRMSP-DOMZBBRYSA-N 0 0 333.388 2.522 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC3CC2(c2ccccc2)C3)c1[N+](=O)[O-] ZINC000598556612 478892492 /nfs/dbraw/zinc/89/24/92/478892492.db2.gz WZYFHDLLWNBIRH-UHFFFAOYSA-N 0 0 326.356 2.642 10 5 EFBERN O=C(N[C@H](CO)C1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601587733 478892887 /nfs/dbraw/zinc/89/28/87/478892887.db2.gz JDYPHIAQMJRQAY-MRXNPFEDSA-N 0 0 332.400 2.684 10 5 EFBERN CC1CCC(O)(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000598559627 478893815 /nfs/dbraw/zinc/89/38/15/478893815.db2.gz GSRFGCOBKSJXHT-UHFFFAOYSA-N 0 0 331.372 2.747 10 5 EFBERN Cc1cccc(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000598561682 478895632 /nfs/dbraw/zinc/89/56/32/478895632.db2.gz AJQWILJFNKSJEZ-BONVTDFDSA-N 0 0 328.315 2.788 10 5 EFBERN Cc1c(CC(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598563239 478896936 /nfs/dbraw/zinc/89/69/36/478896936.db2.gz GBTAZWXDCFOIDX-QLJPJBMISA-N 0 0 342.342 2.717 10 5 EFBERN Cc1cc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc([N+](=O)[O-])c1 ZINC000598564080 478898503 /nfs/dbraw/zinc/89/85/03/478898503.db2.gz JDVMQCOKLBQCSM-MEBBXXQBSA-N 0 0 328.315 2.788 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598566144 478899111 /nfs/dbraw/zinc/89/91/11/478899111.db2.gz VJBMYXGJXSCNNL-RTHLEPHNSA-N 0 0 332.278 2.619 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000598565938 478899571 /nfs/dbraw/zinc/89/95/71/478899571.db2.gz UFQYWPCIYSTLLN-BMIGLBTASA-N 0 0 328.315 2.788 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2ccccc2[C@H]1C ZINC000598567828 478901064 /nfs/dbraw/zinc/90/10/64/478901064.db2.gz GRTCSPKDZVNDAE-GFCCVEGCSA-N 0 0 327.340 2.894 10 5 EFBERN CNc1ccc(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598571274 478901847 /nfs/dbraw/zinc/90/18/47/478901847.db2.gz MGKQKZKXBJUBBS-PSLIRLAXSA-N 0 0 343.330 2.521 10 5 EFBERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598571744 478901907 /nfs/dbraw/zinc/90/19/07/478901907.db2.gz MIGMLEKCPDCLTN-MEBBXXQBSA-N 0 0 328.315 2.788 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000598569976 478902187 /nfs/dbraw/zinc/90/21/87/478902187.db2.gz FTZZMNIJQXQJFK-HNNXBMFYSA-N 0 0 341.371 2.643 10 5 EFBERN COc1ccc(CSCC(=O)N2CC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000601604206 478902013 /nfs/dbraw/zinc/90/20/13/478902013.db2.gz BFXSEOLXIPYIPZ-SNVBAGLBSA-N 0 0 346.355 2.703 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000598571672 478902529 /nfs/dbraw/zinc/90/25/29/478902529.db2.gz IXTCBIHBBJDEEN-CYBMUJFWSA-N 0 0 334.706 2.744 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598571097 478902789 /nfs/dbraw/zinc/90/27/89/478902789.db2.gz ZPQSGVHMXCYUDG-AWEZNQCLSA-N 0 0 346.355 2.570 10 5 EFBERN CC(C)(C(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598575424 478904931 /nfs/dbraw/zinc/90/49/31/478904931.db2.gz VQWCEJAMSWVAGT-INIZCTEOSA-N 0 0 342.342 2.755 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000598573948 478905017 /nfs/dbraw/zinc/90/50/17/478905017.db2.gz RTOYEIXBPVBUQE-RFAUZJTJSA-N 0 0 346.305 2.548 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000545239709 478905027 /nfs/dbraw/zinc/90/50/27/478905027.db2.gz ANXIOJUWMRJXDS-LSDHHAIUSA-N 0 0 335.404 2.533 10 5 EFBERN CC[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H](O)C(C)C ZINC000601624975 478913687 /nfs/dbraw/zinc/91/36/87/478913687.db2.gz FUJHCINVYUFFLG-CVEARBPZSA-N 0 0 334.416 2.928 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2COc3c2ccc(C)c3C)c1[N+](=O)[O-] ZINC000598591772 478915787 /nfs/dbraw/zinc/91/57/87/478915787.db2.gz BNAPMDWFYQQOEV-CYBMUJFWSA-N 0 0 343.339 2.939 10 5 EFBERN Cc1ccc(S(=O)(=O)NCCc2ccsc2)c(C)c1[N+](=O)[O-] ZINC000598595215 478918189 /nfs/dbraw/zinc/91/81/89/478918189.db2.gz DAVCIXCMQCNBKX-UHFFFAOYSA-N 0 0 340.426 2.794 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cncc(Cl)c3)C2)nc1 ZINC000598596381 478919077 /nfs/dbraw/zinc/91/90/77/478919077.db2.gz PCDCPRXYDZOXAP-CYBMUJFWSA-N 0 0 333.779 2.725 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](O)C(F)(F)C2)c1 ZINC000595662289 478919807 /nfs/dbraw/zinc/91/98/07/478919807.db2.gz HJPJTOASBMEVOM-LLVKDONJSA-N 0 0 340.248 2.816 10 5 EFBERN Cc1ccc(S(=O)(=O)NCCCc2ccccn2)c(C)c1[N+](=O)[O-] ZINC000598605626 478923753 /nfs/dbraw/zinc/92/37/53/478923753.db2.gz GTPFMZQMAHBPNL-UHFFFAOYSA-N 0 0 349.412 2.518 10 5 EFBERN O=C(N1CC[C@@H]2OCC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601653151 478928428 /nfs/dbraw/zinc/92/84/28/478928428.db2.gz CUCSYYIDRQZWDI-CJNGLKHVSA-N 0 0 330.384 2.654 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595674042 478928922 /nfs/dbraw/zinc/92/89/22/478928922.db2.gz HUJGHUQRQPSDFY-GFCCVEGCSA-N 0 0 344.371 2.788 10 5 EFBERN COC(=O)c1ccnc(NC[C@@](C)(O)C2CCCCC2)c1[N+](=O)[O-] ZINC000598621519 478929709 /nfs/dbraw/zinc/92/97/09/478929709.db2.gz VDPNMVPZQCCTDS-MRXNPFEDSA-N 0 0 337.376 2.520 10 5 EFBERN COC(=O)[C@@H](NCc1csc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000595676663 478931075 /nfs/dbraw/zinc/93/10/75/478931075.db2.gz YRNILUOMXFZYQN-AWEZNQCLSA-N 0 0 336.369 2.669 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2C[C@H]2c2ccccc2F)c1[N+](=O)[O-] ZINC000598629606 478933443 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COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000610769520 479182432 /nfs/dbraw/zinc/18/24/32/479182432.db2.gz JGBXIPNHIJCYEM-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC(C)(C)OC3(C)C)n2)n1C ZINC000599154289 479183946 /nfs/dbraw/zinc/18/39/46/479183946.db2.gz RXHHUYBZMITXND-VIFPVBQESA-N 0 0 335.364 2.748 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)N2CC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593115222 479184162 /nfs/dbraw/zinc/18/41/62/479184162.db2.gz AOAKZSVTERIBQW-IAQYHMDHSA-N 0 0 339.342 2.961 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@]4(CC4(F)F)C3)n2)c1 ZINC000593118823 479186730 /nfs/dbraw/zinc/18/67/30/479186730.db2.gz YRGKRTDHDWLNSI-AWEZNQCLSA-N 0 0 336.298 2.876 10 5 EFBERN CCC[C@H](C)[C@H](CO)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000573972608 479186818 /nfs/dbraw/zinc/18/68/18/479186818.db2.gz BXHIFMJZDKKPRG-WFASDCNBSA-N 0 0 337.420 2.942 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593119346 479187818 /nfs/dbraw/zinc/18/78/18/479187818.db2.gz WFECGTQVGTXBOQ-HZMBPMFUSA-N 0 0 325.315 2.653 10 5 EFBERN Cc1cc(NC[C@@H]2COCCN2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599160415 479188713 /nfs/dbraw/zinc/18/87/13/479188713.db2.gz IQKQITBAGJRTBJ-SNVBAGLBSA-N 0 0 333.310 2.665 10 5 EFBERN CC(=O)c1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000584597023 479191313 /nfs/dbraw/zinc/19/13/13/479191313.db2.gz VWDUWQZAAGMDOJ-UHFFFAOYSA-N 0 0 339.300 2.704 10 5 EFBERN COc1cc([C@H](O)C[N+](=O)[O-])cc(OCc2ccccc2)c1OC ZINC000584595790 479191369 /nfs/dbraw/zinc/19/13/69/479191369.db2.gz UPCKNPYXLMCJKH-CQSZACIVSA-N 0 0 333.340 2.593 10 5 EFBERN C[C@H]1N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000593125763 479192317 /nfs/dbraw/zinc/19/23/17/479192317.db2.gz DUHUQTWJEUYJIA-GFCCVEGCSA-N 0 0 336.363 2.694 10 5 EFBERN COC(=O)c1c(Cl)c(NCC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596193696 479192278 /nfs/dbraw/zinc/19/22/78/479192278.db2.gz MSBYMAJYLQVPRO-SECBINFHSA-N 0 0 328.752 2.873 10 5 EFBERN COc1cc(NCC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])cc1C ZINC000599169476 479192270 /nfs/dbraw/zinc/19/22/70/479192270.db2.gz BJASBTXNPLSJBU-UHFFFAOYSA-N 0 0 335.404 2.972 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)c2ccncc2)c1C ZINC000610800440 479192522 /nfs/dbraw/zinc/19/25/22/479192522.db2.gz WYMSUGNLYDFZLB-GFCCVEGCSA-N 0 0 349.412 2.689 10 5 EFBERN Cc1c(Br)c(N2CCO[C@@H](CCF)C2)ncc1[N+](=O)[O-] ZINC000599168625 479193124 /nfs/dbraw/zinc/19/31/24/479193124.db2.gz GZVSKMNWDAWXRU-VIFPVBQESA-N 0 0 348.172 2.626 10 5 EFBERN C[C@H](NC(=O)c1cnn2c1C[C@H](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000569848983 479193233 /nfs/dbraw/zinc/19/32/33/479193233.db2.gz POLCPSSDVTZRPI-NEPJUHHUSA-N 0 0 328.372 2.865 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599167899 479193307 /nfs/dbraw/zinc/19/33/07/479193307.db2.gz UIIMAGNAMYOOND-WCBZVUCDSA-N 0 0 331.397 2.633 10 5 EFBERN O=[N+]([O-])c1ccc(NN2CSCCCSC2)c([N+](=O)[O-])c1 ZINC000584607840 479193687 /nfs/dbraw/zinc/19/36/87/479193687.db2.gz KXHCHILCKYBQRJ-UHFFFAOYSA-N 0 0 330.391 2.917 10 5 EFBERN C/C=C\CNc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000599171490 479194104 /nfs/dbraw/zinc/19/41/04/479194104.db2.gz ISSWVARUMDMPRL-DAXSKMNVSA-N 0 0 327.406 2.613 10 5 EFBERN CC1(C)[C@H](c2cccc(F)c2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000599171710 479194241 /nfs/dbraw/zinc/19/42/41/479194241.db2.gz DJBIQOGWQUXXNS-LBPRGKRZSA-N 0 0 331.351 2.709 10 5 EFBERN O=C([O-])[C@@]1(c2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000584633711 479195085 /nfs/dbraw/zinc/19/50/85/479195085.db2.gz IUZBIOIOEZUQAS-SFHVURJKSA-N 0 0 326.352 2.823 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593128413 479195372 /nfs/dbraw/zinc/19/53/72/479195372.db2.gz IKGUDKVFLQQJEC-ZDUSSCGKSA-N 0 0 327.287 2.866 10 5 EFBERN O=c1[nH]ccc(NCCN2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000596202478 479195771 /nfs/dbraw/zinc/19/57/71/479195771.db2.gz FTNAWTPZTWEBNN-UHFFFAOYSA-N 0 0 348.790 2.819 10 5 EFBERN C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000596202359 479196121 /nfs/dbraw/zinc/19/61/21/479196121.db2.gz UEYQNYSHKQQWDC-SECBINFHSA-N 0 0 348.325 2.770 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)s1 ZINC000599178144 479196314 /nfs/dbraw/zinc/19/63/14/479196314.db2.gz BFAKGPXDWBHSMD-UHFFFAOYSA-N 0 0 343.412 2.855 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1C[C@@H](O)CC(F)(F)C1 ZINC000596206313 479198235 /nfs/dbraw/zinc/19/82/35/479198235.db2.gz RVQQIDCSDPUJKS-ZETCQYMHSA-N 0 0 337.120 2.564 10 5 EFBERN CC(C)n1ncc2c1C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596206727 479199378 /nfs/dbraw/zinc/19/93/78/479199378.db2.gz IYNNHXKRVNJNLS-NSHDSACASA-N 0 0 335.795 2.812 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000596207130 479199520 /nfs/dbraw/zinc/19/95/20/479199520.db2.gz BPHXJMRKFDSKIZ-UWVGGRQHSA-N 0 0 342.779 2.998 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCC3(C(F)(F)F)CCCC3)nn21 ZINC000599184587 479200197 /nfs/dbraw/zinc/20/01/97/479200197.db2.gz IUTBEMFLDZCYKR-UHFFFAOYSA-N 0 0 329.282 2.594 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599183480 479200360 /nfs/dbraw/zinc/20/03/60/479200360.db2.gz PCTKOZOGUWHUMN-QGZVFWFLSA-N 0 0 342.399 2.611 10 5 EFBERN CN(C(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])nc1 ZINC000593143363 479200918 /nfs/dbraw/zinc/20/09/18/479200918.db2.gz JLPQDQMPCLCSRQ-NEPJUHHUSA-N 0 0 349.387 2.711 10 5 EFBERN COc1cc(N2CC[C@H](C)[S@](=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596211197 479202508 /nfs/dbraw/zinc/20/25/08/479202508.db2.gz SGWFPQJHZKRBLE-JLTPVHFHSA-N 0 0 332.809 2.604 10 5 EFBERN CCC1(CC)CN(c2cc(C)sc2[N+](=O)[O-])CCS1(=O)=O ZINC000596210741 479202745 /nfs/dbraw/zinc/20/27/45/479202745.db2.gz WGUSBMHTKJELCT-UHFFFAOYSA-N 0 0 332.447 2.758 10 5 EFBERN COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)Cc2ccccc21 ZINC000599189097 479202837 /nfs/dbraw/zinc/20/28/37/479202837.db2.gz WSVRXOORXULSQK-CYBMUJFWSA-N 0 0 347.758 2.920 10 5 EFBERN C[C@@H](c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1)c1cnccn1 ZINC000599194924 479203434 /nfs/dbraw/zinc/20/34/34/479203434.db2.gz MXCFABGBNCOMNP-LLVKDONJSA-N 0 0 340.343 2.556 10 5 EFBERN CC(C)(C)c1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ncn1 ZINC000596214536 479204007 /nfs/dbraw/zinc/20/40/07/479204007.db2.gz USRRWHUWACEKBD-UHFFFAOYSA-N 0 0 330.392 2.720 10 5 EFBERN C[C@@H](c1noc(CCc2cccc([N+](=O)[O-])c2)n1)c1cnccn1 ZINC000599196172 479205709 /nfs/dbraw/zinc/20/57/09/479205709.db2.gz YXYUHAPADDSPTR-LLVKDONJSA-N 0 0 325.328 2.705 10 5 EFBERN Cn1c2cc(NC[C@H]3CCCC34CC4)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599198032 479205870 /nfs/dbraw/zinc/20/58/70/479205870.db2.gz FTMUAXIKKDTGSH-LLVKDONJSA-N 0 0 330.388 2.777 10 5 EFBERN COC[C@@]1(C)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000599200937 479207032 /nfs/dbraw/zinc/20/70/32/479207032.db2.gz BPLIZSWXLCSNIO-CYBMUJFWSA-N 0 0 334.294 2.855 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000596222756 479208672 /nfs/dbraw/zinc/20/86/72/479208672.db2.gz JEFMWEQTIMPYKV-VIFPVBQESA-N 0 0 340.763 2.508 10 5 EFBERN COC[C@@]1(C)CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CCO1 ZINC000599203048 479208963 /nfs/dbraw/zinc/20/89/63/479208963.db2.gz UNJNRTDICKIDIP-QGZVFWFLSA-N 0 0 331.372 2.693 10 5 EFBERN O=C1[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CCN1C1CCC1 ZINC000599206885 479209433 /nfs/dbraw/zinc/20/94/33/479209433.db2.gz SZIXSFRGXMMYCF-HNNXBMFYSA-N 0 0 326.356 2.708 10 5 EFBERN CC(C)(C)OCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599218017 479212662 /nfs/dbraw/zinc/21/26/62/479212662.db2.gz LHJNESINYVGVTP-UHFFFAOYSA-N 0 0 345.193 2.902 10 5 EFBERN O=c1[nH]ccc(N2CCCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000596229971 479212749 /nfs/dbraw/zinc/21/27/49/479212749.db2.gz UNCSAROYYJVVPA-UHFFFAOYSA-N 0 0 332.335 2.551 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596229750 479213281 /nfs/dbraw/zinc/21/32/81/479213281.db2.gz FLSWNCFFQUYKCJ-VIFPVBQESA-N 0 0 328.752 2.650 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCOC[C@@H]1CC1CCC1 ZINC000593165538 479213279 /nfs/dbraw/zinc/21/32/79/479213279.db2.gz MAWUWXISESOYRR-HNNXBMFYSA-N 0 0 336.363 2.694 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[C@H](C)F)c1 ZINC000593166303 479213849 /nfs/dbraw/zinc/21/38/49/479213849.db2.gz SLYCSLOYJMMOBD-NSHDSACASA-N 0 0 334.351 2.626 10 5 EFBERN CN(C)c1cnn(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000596244392 479220649 /nfs/dbraw/zinc/22/06/49/479220649.db2.gz PXRSUWYLXZWZBN-UHFFFAOYSA-N 0 0 333.367 2.838 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H](OC)C2CC2)ccc1[N+](=O)[O-] ZINC000596242922 479221805 /nfs/dbraw/zinc/22/18/05/479221805.db2.gz DNOCUGOYLQOGEN-NSHDSACASA-N 0 0 328.752 2.872 10 5 EFBERN COC(=O)c1c(Cl)c(NCC2=CCOCC2)ccc1[N+](=O)[O-] ZINC000596250007 479223551 /nfs/dbraw/zinc/22/35/51/479223551.db2.gz NYRYNGNEGSKGAE-UHFFFAOYSA-N 0 0 326.736 2.793 10 5 EFBERN O=C(NC[C@]1(CO)CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000593182492 479225039 /nfs/dbraw/zinc/22/50/39/479225039.db2.gz QELCSEUWLMVVPN-SFHVURJKSA-N 0 0 341.367 2.593 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000593182011 479225229 /nfs/dbraw/zinc/22/52/29/479225229.db2.gz SPWHJPFPEIKDPC-UHFFFAOYSA-N 0 0 333.388 2.980 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC(C)C)c1ccc(F)cn1 ZINC000593183698 479225564 /nfs/dbraw/zinc/22/55/64/479225564.db2.gz HBRRBIFWMVMSFZ-UHFFFAOYSA-N 0 0 349.366 2.713 10 5 EFBERN COC(=O)c1c(Cl)c(NCC[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000596257469 479227036 /nfs/dbraw/zinc/22/70/36/479227036.db2.gz KPQYUEIIDOLUKK-SECBINFHSA-N 0 0 330.768 2.855 10 5 EFBERN CNc1ccc(C(=O)NCc2ccn(C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000610900405 479227494 /nfs/dbraw/zinc/22/74/94/479227494.db2.gz QHTOYQIADFOVNJ-UHFFFAOYSA-N 0 0 343.387 2.878 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000593189637 479229959 /nfs/dbraw/zinc/22/99/59/479229959.db2.gz WKNCLLKVUOHQBY-UHFFFAOYSA-N 0 0 333.388 2.980 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NC[C@H](CO)Cc1cccnc1)CCCC2 ZINC000596266248 479231448 /nfs/dbraw/zinc/23/14/48/479231448.db2.gz OSYZISUUKLWNKB-CQSZACIVSA-N 0 0 342.399 2.527 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2cc(C)ncn2)c1 ZINC000593194328 479234794 /nfs/dbraw/zinc/23/47/94/479234794.db2.gz CZEBAIVBQPBOOV-UHFFFAOYSA-N 0 0 333.369 2.913 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000570040445 479234863 /nfs/dbraw/zinc/23/48/63/479234863.db2.gz SFFVHIBMJKMCMY-LBPRGKRZSA-N 0 0 348.380 2.550 10 5 EFBERN CCCN1C[C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1=O ZINC000596276995 479235238 /nfs/dbraw/zinc/23/52/38/479235238.db2.gz DDHCJXMUFVDAJC-SNVBAGLBSA-N 0 0 341.795 2.927 10 5 EFBERN COc1cc(NC[C@H]2CCN(C)C(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596280165 479237119 /nfs/dbraw/zinc/23/71/19/479237119.db2.gz BCUNGFJTCCMBLE-VIFPVBQESA-N 0 0 327.768 2.537 10 5 EFBERN CC(=O)C(C)(C)CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000610939977 479238557 /nfs/dbraw/zinc/23/85/57/479238557.db2.gz RZWQQHZQQVNZSE-UHFFFAOYSA-N 0 0 347.415 2.639 10 5 EFBERN Cc1cc(C[C@H](C)Nc2ccncc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000610946688 479240579 /nfs/dbraw/zinc/24/05/79/479240579.db2.gz GRWPVMXRSQASJR-ZDUSSCGKSA-N 0 0 337.383 2.949 10 5 EFBERN CC(C)(C)OC(=O)C1(C)CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596291895 479242087 /nfs/dbraw/zinc/24/20/87/479242087.db2.gz LXYWDLLFRSAHPY-UHFFFAOYSA-N 0 0 337.376 2.644 10 5 EFBERN COc1cc(NCC[C@]2(O)CCCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596295901 479243264 /nfs/dbraw/zinc/24/32/64/479243264.db2.gz QFROGZXEQZVSOO-CQSZACIVSA-N 0 0 330.768 2.600 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593216483 479244543 /nfs/dbraw/zinc/24/45/43/479244543.db2.gz UQXGVXLWUIJSKT-UHFFFAOYSA-N 0 0 343.339 2.835 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593217893 479245035 /nfs/dbraw/zinc/24/50/35/479245035.db2.gz CTBDZRPEIJAHFN-KRWDZBQOSA-N 0 0 331.347 2.876 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000593217730 479245121 /nfs/dbraw/zinc/24/51/21/479245121.db2.gz IKDZJJWZQJMUDK-UHFFFAOYSA-N 0 0 333.388 2.926 10 5 EFBERN COC(=O)c1cnc(N2CCC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000596306438 479246534 /nfs/dbraw/zinc/24/65/34/479246534.db2.gz QKNQVUDULOMJGD-GFCCVEGCSA-N 0 0 342.355 2.555 10 5 EFBERN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccn1 ZINC000596310797 479248900 /nfs/dbraw/zinc/24/89/00/479248900.db2.gz AKMAJZZYLUNSCZ-NSHDSACASA-N 0 0 335.385 2.609 10 5 EFBERN CO[C@@H](CNc1cc(C)nc2c1cccc2[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596315197 479250510 /nfs/dbraw/zinc/25/05/10/479250510.db2.gz ATXHCZJGCXYDJV-WBMJQRKESA-N 0 0 331.372 2.915 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(C(C)C)n1 ZINC000593232754 479252824 /nfs/dbraw/zinc/25/28/24/479252824.db2.gz PDAYKKPVPVSJAP-ZDUSSCGKSA-N 0 0 331.376 2.975 10 5 EFBERN CC(=O)NCc1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000596318645 479252961 /nfs/dbraw/zinc/25/29/61/479252961.db2.gz WSFLYCKMUMLNLW-UHFFFAOYSA-N 0 0 328.372 2.855 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CC(F)(F)C2 ZINC000610989311 479253536 /nfs/dbraw/zinc/25/35/36/479253536.db2.gz KUZSCRYCJQQLNL-UHFFFAOYSA-N 0 0 328.340 2.945 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](Cn2ccnn2)C1 ZINC000596321285 479253832 /nfs/dbraw/zinc/25/38/32/479253832.db2.gz HOBSETINRKAPOX-JTQLQIEISA-N 0 0 341.293 2.732 10 5 EFBERN Cn1nccc1[C@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000574273735 479254785 /nfs/dbraw/zinc/25/47/85/479254785.db2.gz VJOOYXOGVOIAHT-AWEZNQCLSA-N 0 0 341.415 2.986 10 5 EFBERN CCO[C@H](C)c1nccn1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593236633 479255227 /nfs/dbraw/zinc/25/52/27/479255227.db2.gz SFIQBYMBBOIROE-LLVKDONJSA-N 0 0 333.344 2.724 10 5 EFBERN CC(C)O[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000593239245 479256184 /nfs/dbraw/zinc/25/61/84/479256184.db2.gz GDEGYMXVTIPJGB-LBPRGKRZSA-N 0 0 342.342 2.832 10 5 EFBERN CC(C)O[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000593239244 479256222 /nfs/dbraw/zinc/25/62/22/479256222.db2.gz GDEGYMXVTIPJGB-GFCCVEGCSA-N 0 0 342.342 2.832 10 5 EFBERN CO[C@@H](CSCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000596331797 479256671 /nfs/dbraw/zinc/25/66/71/479256671.db2.gz GVLKAIXXXBGGHG-DOMZBBRYSA-N 0 0 327.402 2.758 10 5 EFBERN CC[C@H](OCCNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000593251075 479260802 /nfs/dbraw/zinc/26/08/02/479260802.db2.gz LCMUKKNAJLQUCQ-HNNXBMFYSA-N 0 0 346.387 2.709 10 5 EFBERN CC[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](CC)CO1 ZINC000593256059 479261795 /nfs/dbraw/zinc/26/17/95/479261795.db2.gz HQBYTWKFBJMELA-ZYHUDNBSSA-N 0 0 342.342 2.832 10 5 EFBERN CC[C@@H](OCCNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000593253585 479261916 /nfs/dbraw/zinc/26/19/16/479261916.db2.gz SYNQAJOMBKTWTP-OAHLLOKOSA-N 0 0 331.372 2.831 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000596351125 479261844 /nfs/dbraw/zinc/26/18/44/479261844.db2.gz SDSLFEJFCWZINC-ZJUUUORDSA-N 0 0 332.278 2.773 10 5 EFBERN CC[C@H](NC(=O)N1CCO[C@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000602268381 479263151 /nfs/dbraw/zinc/26/31/51/479263151.db2.gz MKJLFVLXEIWRQE-CABCVRRESA-N 0 0 339.367 2.816 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000602269281 479263869 /nfs/dbraw/zinc/26/38/69/479263869.db2.gz PPFGQMLRVPSLLZ-DANNLKNASA-N 0 0 333.388 2.601 10 5 EFBERN COCCC1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000596356105 479264713 /nfs/dbraw/zinc/26/47/13/479264713.db2.gz FEJVWIKSQBTQMX-UHFFFAOYSA-N 0 0 335.404 2.595 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000596365844 479267256 /nfs/dbraw/zinc/26/72/56/479267256.db2.gz GWPLCCXTTDGEMD-MJEQTWJJSA-N 0 0 345.399 2.543 10 5 EFBERN C[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033305 479267531 /nfs/dbraw/zinc/26/75/31/479267531.db2.gz GBJKUFGCVFOSKH-DLBZAZTESA-N 0 0 346.408 2.744 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596366384 479268814 /nfs/dbraw/zinc/26/88/14/479268814.db2.gz KNGMKHQCSJKGRZ-UDZFHETQSA-N 0 0 330.331 2.851 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367047 479268884 /nfs/dbraw/zinc/26/88/84/479268884.db2.gz DYPOGAHOTHGFOS-GHJWDPDVSA-N 0 0 346.387 2.516 10 5 EFBERN CCc1ccc(C(=O)NCc2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000603140828 479269607 /nfs/dbraw/zinc/26/96/07/479269607.db2.gz AEZOHACLHXOSJG-UHFFFAOYSA-N 0 0 328.372 2.620 10 5 EFBERN COc1cc(N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c(F)cc1[N+](=O)[O-] ZINC000596371615 479270863 /nfs/dbraw/zinc/27/08/63/479270863.db2.gz YQRXBPBTTROMDM-JTNHKYCSSA-N 0 0 342.367 2.721 10 5 EFBERN C[C@@H](C(=O)NCc1cc2n(n1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000603144025 479271550 /nfs/dbraw/zinc/27/15/50/479271550.db2.gz UUIHCTKVBHFJIR-LLVKDONJSA-N 0 0 346.362 2.687 10 5 EFBERN C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000603147217 479273692 /nfs/dbraw/zinc/27/36/92/479273692.db2.gz XSOKBAFMVYQFCM-BBWFWOEESA-N 0 0 345.443 2.887 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C2CC2)C2CCOCC2)c1 ZINC000593279644 479274237 /nfs/dbraw/zinc/27/42/37/479274237.db2.gz SQSPQSYBLNTMFU-MRXNPFEDSA-N 0 0 334.372 2.538 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](C1CC1)C1CCOCC1 ZINC000593280687 479274442 /nfs/dbraw/zinc/27/44/42/479274442.db2.gz JLIVIDAYDIOYFK-SFHVURJKSA-N 0 0 348.399 2.685 10 5 EFBERN C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000603147225 479274552 /nfs/dbraw/zinc/27/45/52/479274552.db2.gz XSOKBAFMVYQFCM-GVDBMIGSSA-N 0 0 345.443 2.887 10 5 EFBERN Cc1cnc(C)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000593283383 479275340 /nfs/dbraw/zinc/27/53/40/479275340.db2.gz YMYVCIKPRLQERC-UHFFFAOYSA-N 0 0 335.385 2.591 10 5 EFBERN COc1ccc(CSC[C@@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000596390444 479276357 /nfs/dbraw/zinc/27/63/57/479276357.db2.gz NQRZYUUGGBDTIL-IUODEOHRSA-N 0 0 327.402 2.888 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC3(CC(F)C3)C2)cc1SC ZINC000611077726 479278042 /nfs/dbraw/zinc/27/80/42/479278042.db2.gz JPMASLIRPHSHML-UHFFFAOYSA-N 0 0 340.376 2.899 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NCCCc1nc(-c2ccccn2)cs1 ZINC000585092318 479280149 /nfs/dbraw/zinc/28/01/49/479280149.db2.gz OWAYOHISSBFCPG-UHFFFAOYSA-N 0 0 344.400 2.892 10 5 EFBERN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000593295520 479281690 /nfs/dbraw/zinc/28/16/90/479281690.db2.gz NBZNBXNKQPPQJO-ZDUSSCGKSA-N 0 0 326.780 2.818 10 5 EFBERN O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@@]2(CO)CCOC2)cs1 ZINC000599398003 479283404 /nfs/dbraw/zinc/28/34/04/479283404.db2.gz QWIVLGWQIFRWIN-QGZVFWFLSA-N 0 0 348.424 2.810 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C2CCOCC2)C1 ZINC000611112290 479284902 /nfs/dbraw/zinc/28/49/02/479284902.db2.gz OUWGBATZIMCZSH-ZDUSSCGKSA-N 0 0 343.383 2.965 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](C2CCOCC2)C1 ZINC000611112288 479284912 /nfs/dbraw/zinc/28/49/12/479284912.db2.gz OUWGBATZIMCZSH-CYBMUJFWSA-N 0 0 343.383 2.965 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000599403290 479286366 /nfs/dbraw/zinc/28/63/66/479286366.db2.gz CUBRCTDSQLZKBD-NEPJUHHUSA-N 0 0 342.442 2.562 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](c2ccccn2)C2CCC2)c1 ZINC000599411448 479287663 /nfs/dbraw/zinc/28/76/63/479287663.db2.gz IJLLYCQICINNMA-MRXNPFEDSA-N 0 0 347.396 2.810 10 5 EFBERN C[C@H]1CC(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H](C)C1 ZINC000596425055 479288769 /nfs/dbraw/zinc/28/87/69/479288769.db2.gz PGCSLYOUKOPPIV-GHMZBOCLSA-N 0 0 341.433 2.726 10 5 EFBERN C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C2(CCC2)CO1 ZINC000593315938 479289754 /nfs/dbraw/zinc/28/97/54/479289754.db2.gz HVCFMFXRTFKDSM-CYBMUJFWSA-N 0 0 343.383 2.720 10 5 EFBERN C[C@@H]1CN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)CO1 ZINC000596426905 479290115 /nfs/dbraw/zinc/29/01/15/479290115.db2.gz CXMWNEMYYDKNRJ-CHWSQXEVSA-N 0 0 330.388 2.664 10 5 EFBERN Cn1c2cc([N+](=O)[O-])c(N3CCC(C4CCC4)CC3)cc2n(C)c1=O ZINC000596426816 479290515 /nfs/dbraw/zinc/29/05/15/479290515.db2.gz FZYCAMGFWMLGGY-UHFFFAOYSA-N 0 0 344.415 2.802 10 5 EFBERN C[C@@H]1CC(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000596425243 479290659 /nfs/dbraw/zinc/29/06/59/479290659.db2.gz SVNAGZVPLZPEMF-QWRGUYRKSA-N 0 0 341.433 2.726 10 5 EFBERN CCNc1ccc(C(=O)N2C[C@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593317462 479291087 /nfs/dbraw/zinc/29/10/87/479291087.db2.gz PGLMNCPLJDQHFR-LBPRGKRZSA-N 0 0 333.388 2.810 10 5 EFBERN COc1ccc(CNC(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593317370 479291336 /nfs/dbraw/zinc/29/13/36/479291336.db2.gz IZZVONFKSFRFRS-CQSZACIVSA-N 0 0 341.314 2.544 10 5 EFBERN O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000593316444 479291520 /nfs/dbraw/zinc/29/15/20/479291520.db2.gz PBRMCCHINUZJQL-NEPJUHHUSA-N 0 0 333.369 2.701 10 5 EFBERN COc1cc(NCCN2C[C@H](C)OC[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428765 479292129 /nfs/dbraw/zinc/29/21/29/479292129.db2.gz HSLDHONWAREAJK-QWRGUYRKSA-N 0 0 343.811 2.778 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](O)C(F)(F)C1 ZINC000596429213 479292140 /nfs/dbraw/zinc/29/21/40/479292140.db2.gz LLGCJLSQMSUEMF-SNVBAGLBSA-N 0 0 337.120 2.564 10 5 EFBERN Cc1c(CN(C)C(=O)Cn2ccc([N+](=O)[O-])n2)oc2c1cccc2C ZINC000593319099 479292618 /nfs/dbraw/zinc/29/26/18/479292618.db2.gz DWYOVEUDRSPKBE-UHFFFAOYSA-N 0 0 342.355 2.813 10 5 EFBERN CC(C)(C)Oc1cc(N2CC[C@H](O)C(F)(F)C2)ccc1[N+](=O)[O-] ZINC000596431550 479293319 /nfs/dbraw/zinc/29/33/19/479293319.db2.gz MALJYSBRSBHENT-ZDUSSCGKSA-N 0 0 330.331 2.978 10 5 EFBERN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593321628 479293427 /nfs/dbraw/zinc/29/34/27/479293427.db2.gz FTTVPUFXXCLPNO-GFCCVEGCSA-N 0 0 349.387 2.716 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](C1CC1)C1CCOCC1 ZINC000593321831 479294173 /nfs/dbraw/zinc/29/41/73/479294173.db2.gz ZHGOKQKKVOEOQJ-KRWDZBQOSA-N 0 0 347.415 2.642 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC3(CCC3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596435751 479294850 /nfs/dbraw/zinc/29/48/50/479294850.db2.gz IAZDHXTUHPWGFW-CYBMUJFWSA-N 0 0 347.415 2.881 10 5 EFBERN CCOC(=O)c1cc(N2C[C@]3(C)COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000596443612 479296555 /nfs/dbraw/zinc/29/65/55/479296555.db2.gz PMIOXTOSOBPURZ-CALCHBBNSA-N 0 0 334.372 2.634 10 5 EFBERN COc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1 ZINC000611152383 479296763 /nfs/dbraw/zinc/29/67/63/479296763.db2.gz ICSTYWSNEHISCG-UHFFFAOYSA-N 0 0 326.312 2.661 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)nc1 ZINC000596444426 479296988 /nfs/dbraw/zinc/29/69/88/479296988.db2.gz SOWKHTKOISBHBO-SECBINFHSA-N 0 0 340.265 2.535 10 5 EFBERN COC(=O)C12CC(C1)CN2c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596444806 479297346 /nfs/dbraw/zinc/29/73/46/479297346.db2.gz ZZJQWLZOCYWJRZ-UHFFFAOYSA-N 0 0 330.262 2.755 10 5 EFBERN CC(C)NC(=O)c1ccc(NCCO[C@@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000596447001 479298093 /nfs/dbraw/zinc/29/80/93/479298093.db2.gz KGCXHIWNFMHMKF-CYBMUJFWSA-N 0 0 343.330 2.569 10 5 EFBERN COC(=O)c1cc(NCCO[C@H]2CC2(F)F)cc(C)c1[N+](=O)[O-] ZINC000596446029 479298147 /nfs/dbraw/zinc/29/81/47/479298147.db2.gz CFHNTYFNUJIBAM-NSHDSACASA-N 0 0 330.287 2.526 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000593328768 479298724 /nfs/dbraw/zinc/29/87/24/479298724.db2.gz VJGSPBICOCSONW-CYBMUJFWSA-N 0 0 342.399 2.678 10 5 EFBERN O=[N+]([O-])c1cnc(NCCO[C@H]2CC2(F)F)c(Br)c1 ZINC000596448598 479299541 /nfs/dbraw/zinc/29/95/41/479299541.db2.gz VTVSZRHFZNJYKT-QMMMGPOBSA-N 0 0 338.108 2.588 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ccno3)co2)cc1 ZINC000611165674 479299974 /nfs/dbraw/zinc/29/99/74/479299974.db2.gz MFRZYCZAVNOGFM-HSZRJFAPSA-N 0 0 333.325 2.687 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000596453127 479300590 /nfs/dbraw/zinc/30/05/90/479300590.db2.gz GQRNEKPIBWZAEM-RSUWNVLCSA-N 0 0 335.404 2.623 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H]1CC=CCC1 ZINC000599445200 479300878 /nfs/dbraw/zinc/30/08/78/479300878.db2.gz MHDUBXPSQRLTNS-GFCCVEGCSA-N 0 0 340.401 2.628 10 5 EFBERN CC[C@H](NC(=O)N1C[C@H](C)[C@@](C)(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000596455172 479302069 /nfs/dbraw/zinc/30/20/69/479302069.db2.gz PLRWWSQDWYHHSK-YLQAJVPDSA-N 0 0 335.404 2.706 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000596454695 479302102 /nfs/dbraw/zinc/30/21/02/479302102.db2.gz OCFFLXJZEXKJJM-CQDKDKBSSA-N 0 0 333.388 2.567 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cn1 ZINC000557695129 479303749 /nfs/dbraw/zinc/30/37/49/479303749.db2.gz TYDVPGDTYMVZFQ-IXDOHACOSA-N 0 0 325.368 2.999 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](C(F)F)C1 ZINC000611180300 479303979 /nfs/dbraw/zinc/30/39/79/479303979.db2.gz WQANRGBNHNOJGB-NXEZZACHSA-N 0 0 343.330 2.517 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CS1(=O)=O ZINC000596462353 479304707 /nfs/dbraw/zinc/30/47/07/479304707.db2.gz ADISBJSOEQYDOC-PSASIEDQSA-N 0 0 334.344 2.910 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599459313 479305552 /nfs/dbraw/zinc/30/55/52/479305552.db2.gz GYKISZSPMVYDBQ-NWDGAFQWSA-N 0 0 338.410 2.799 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000596463504 479305837 /nfs/dbraw/zinc/30/58/37/479305837.db2.gz DRJZEAYCLDRIID-GHMZBOCLSA-N 0 0 335.385 2.521 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000596465284 479305865 /nfs/dbraw/zinc/30/58/65/479305865.db2.gz LJVPEFCRYTYMOC-ZJUUUORDSA-N 0 0 332.809 2.934 10 5 EFBERN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000596463767 479306221 /nfs/dbraw/zinc/30/62/21/479306221.db2.gz PVQBOIMVZGUBFU-WOFXILAISA-N 0 0 329.194 2.810 10 5 EFBERN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593352651 479308225 /nfs/dbraw/zinc/30/82/25/479308225.db2.gz HAHQMENLYCGSTB-GFCCVEGCSA-N 0 0 346.362 2.509 10 5 EFBERN Cc1cc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596467422 479308227 /nfs/dbraw/zinc/30/82/27/479308227.db2.gz XZRSXOGBFGOOGM-NWDGAFQWSA-N 0 0 349.412 2.829 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593354869 479308405 /nfs/dbraw/zinc/30/84/05/479308405.db2.gz VKQWEIGMGCHQCG-HNNXBMFYSA-N 0 0 348.309 2.652 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000596471622 479309550 /nfs/dbraw/zinc/30/95/50/479309550.db2.gz ZSNWCPFNHSFKDK-NNUKFRKNSA-N 0 0 341.367 2.976 10 5 EFBERN COc1cccc2c1CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C2 ZINC000599481716 479309694 /nfs/dbraw/zinc/30/96/94/479309694.db2.gz IHVHAHKGEQAMJZ-UHFFFAOYSA-N 0 0 348.380 2.616 10 5 EFBERN COc1cccc([C@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)c1 ZINC000596472788 479309932 /nfs/dbraw/zinc/30/99/32/479309932.db2.gz JVISQBYAYIZWPU-GOSISDBHSA-N 0 0 343.383 2.746 10 5 EFBERN Cc1c(Br)c(NC[C@H]2CCC[C@H](C)O2)ncc1[N+](=O)[O-] ZINC000596472992 479310001 /nfs/dbraw/zinc/31/00/01/479310001.db2.gz DORKRSDONXLGBH-WCBMZHEXSA-N 0 0 344.209 2.852 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593358939 479310411 /nfs/dbraw/zinc/31/04/11/479310411.db2.gz NBOCLJUJUZSLRY-AWEZNQCLSA-N 0 0 326.299 2.621 10 5 EFBERN C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ccsc1[N+](=O)[O-] ZINC000611204204 479310728 /nfs/dbraw/zinc/31/07/28/479310728.db2.gz UTZGYVCOWSQDLW-JTQLQIEISA-N 0 0 330.369 2.867 10 5 EFBERN C[C@]1(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(F)F ZINC000596476885 479310954 /nfs/dbraw/zinc/31/09/54/479310954.db2.gz VSYXEKIBTVRHHC-JTQLQIEISA-N 0 0 340.373 2.907 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000596479675 479311115 /nfs/dbraw/zinc/31/11/15/479311115.db2.gz OMXIMYSDUJDZKJ-KGLIPLIRSA-N 0 0 335.404 2.789 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593361533 479311166 /nfs/dbraw/zinc/31/11/66/479311166.db2.gz YNTJSGOXUDTNGQ-CQSZACIVSA-N 0 0 326.299 2.865 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@]3(O)C[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000596480465 479312317 /nfs/dbraw/zinc/31/23/17/479312317.db2.gz DDTQAIATWSJCTH-YVEFUNNKSA-N 0 0 329.331 2.757 10 5 EFBERN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC2(C1)CC(F)(F)C2 ZINC000611214553 479312566 /nfs/dbraw/zinc/31/25/66/479312566.db2.gz HCYHFDZZOQBNDG-UHFFFAOYSA-N 0 0 348.309 2.652 10 5 EFBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000593364413 479312930 /nfs/dbraw/zinc/31/29/30/479312930.db2.gz WOVRPTWLDCWDDK-LBPRGKRZSA-N 0 0 340.351 2.926 10 5 EFBERN CCOC(=O)c1ccnc(Nc2ccc3c(c2)CCOC3)c1[N+](=O)[O-] ZINC000596486356 479313572 /nfs/dbraw/zinc/31/35/72/479313572.db2.gz VWFROQNAEMZABU-UHFFFAOYSA-N 0 0 343.339 2.983 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2COC[C@@H]2C1 ZINC000596485285 479313725 /nfs/dbraw/zinc/31/37/25/479313725.db2.gz FOLAOZJMFFATTK-ZJUUUORDSA-N 0 0 325.752 2.748 10 5 EFBERN COC(=O)c1cnc(N2CC(Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000596485858 479313770 /nfs/dbraw/zinc/31/37/70/479313770.db2.gz RRRMARAEKBISRB-UHFFFAOYSA-N 0 0 341.367 2.764 10 5 EFBERN Nc1cc(N2CC=C(c3ccc(O)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000585702788 479314898 /nfs/dbraw/zinc/31/48/98/479314898.db2.gz IAXIJWSVRSZOLR-UHFFFAOYSA-N 0 0 341.367 2.669 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000611219351 479315001 /nfs/dbraw/zinc/31/50/01/479315001.db2.gz SAJNTOLHEABQND-CQSZACIVSA-N 0 0 326.356 2.620 10 5 EFBERN COC(=O)C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000596490660 479315381 /nfs/dbraw/zinc/31/53/81/479315381.db2.gz LXIQICUSAKGBSA-ZDUSSCGKSA-N 0 0 329.356 2.566 10 5 EFBERN CC[C@@H](NC(=O)N1CCC(C2(O)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593369817 479315457 /nfs/dbraw/zinc/31/54/57/479315457.db2.gz GSZKDKGOYWQYLO-MRXNPFEDSA-N 0 0 347.415 2.992 10 5 EFBERN Cc1sc(S(=O)(=O)N2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000599507820 479316789 /nfs/dbraw/zinc/31/67/89/479316789.db2.gz IVBPFXFPAZRJAF-UHFFFAOYSA-N 0 0 330.431 2.920 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCc1cncc(C)n1 ZINC000596497706 479317778 /nfs/dbraw/zinc/31/77/78/479317778.db2.gz CCQIVHATWPPLLX-UHFFFAOYSA-N 0 0 348.334 2.664 10 5 EFBERN COc1ccc(S(=O)(=O)N2CCCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000599509001 479317659 /nfs/dbraw/zinc/31/76/59/479317659.db2.gz CYFHKJASBWAHML-UHFFFAOYSA-N 0 0 340.401 2.558 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000596501701 479318825 /nfs/dbraw/zinc/31/88/25/479318825.db2.gz KKGPTEZPKWXQGZ-HZGVNTEJSA-N 0 0 325.674 2.799 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000596500404 479319035 /nfs/dbraw/zinc/31/90/35/479319035.db2.gz BCXHQCJFXWMDPS-YMTOWFKASA-N 0 0 329.303 2.871 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000596502363 479319522 /nfs/dbraw/zinc/31/95/22/479319522.db2.gz NFJPGWGAAMYDJV-HZGVNTEJSA-N 0 0 325.674 2.799 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3Cc4ccccc4C(F)(F)C3)nn21 ZINC000611242231 479320479 /nfs/dbraw/zinc/32/04/79/479320479.db2.gz IKKFTUAARLNTRB-UHFFFAOYSA-N 0 0 331.282 2.750 10 5 EFBERN Cn1ncc(C2CCC2)c1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596504647 479320728 /nfs/dbraw/zinc/32/07/28/479320728.db2.gz USGBAZMGBTYBES-UHFFFAOYSA-N 0 0 338.371 2.573 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1c(C2CCC2)cnn1C ZINC000596505295 479320855 /nfs/dbraw/zinc/32/08/55/479320855.db2.gz XTXQBUYBIBEALC-UHFFFAOYSA-N 0 0 343.387 2.568 10 5 EFBERN O=C([C@H]1CCCC12CC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599531054 479322208 /nfs/dbraw/zinc/32/22/08/479322208.db2.gz GEMWQSBAMIKOCO-TZMCWYRMSA-N 0 0 330.388 2.583 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@H]2C(C)(C)C2(F)F)c1[N+](=O)[O-] ZINC000596512290 479323169 /nfs/dbraw/zinc/32/31/69/479323169.db2.gz CHDFLRVNAHMNCS-VIFPVBQESA-N 0 0 329.303 2.870 10 5 EFBERN COC(=O)c1cc(NC(=O)C[C@H](C)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000599532093 479323274 /nfs/dbraw/zinc/32/32/74/479323274.db2.gz YZYDPQWFUZJDBV-ZETCQYMHSA-N 0 0 334.250 2.908 10 5 EFBERN CC1(C)[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1(F)F ZINC000596512989 479323493 /nfs/dbraw/zinc/32/34/93/479323493.db2.gz OEPKGQBFJZBWJC-LLVKDONJSA-N 0 0 334.344 2.702 10 5 EFBERN CC(C)(O)C1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000593391579 479323655 /nfs/dbraw/zinc/32/36/55/479323655.db2.gz NUDKPCYHXHMKSI-UHFFFAOYSA-N 0 0 349.431 2.700 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596517487 479325520 /nfs/dbraw/zinc/32/55/20/479325520.db2.gz KPKFTEQTAPKJPM-SUMWQHHRSA-N 0 0 343.383 2.559 10 5 EFBERN Cc1c(CNC(=O)N[C@@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593399158 479325928 /nfs/dbraw/zinc/32/59/28/479325928.db2.gz WUNLDKZYPGCAKL-KRWDZBQOSA-N 0 0 347.415 2.908 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccnc3)CC2)cc1 ZINC000611257330 479326374 /nfs/dbraw/zinc/32/63/74/479326374.db2.gz WOBUGDPOFHFSQZ-UHFFFAOYSA-N 0 0 347.396 2.558 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC12CCCC2 ZINC000593401076 479326717 /nfs/dbraw/zinc/32/67/17/479326717.db2.gz XQKWDKLTJMFQFB-UHFFFAOYSA-N 0 0 329.360 2.699 10 5 EFBERN CCS(=O)(=O)C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000596522223 479327059 /nfs/dbraw/zinc/32/70/59/479327059.db2.gz YEVPCCDRDVPHGJ-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000599548179 479327129 /nfs/dbraw/zinc/32/71/29/479327129.db2.gz JQKRBSYZWWTVAZ-MRXNPFEDSA-N 0 0 330.340 2.850 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCC1(O)CCC(F)(F)CC1 ZINC000596528419 479329042 /nfs/dbraw/zinc/32/90/42/479329042.db2.gz UCAZUEUEAJOUKG-UHFFFAOYSA-N 0 0 337.326 2.917 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccnc2NCC2(O)CCC(F)(F)CC2)c1 ZINC000596527299 479329302 /nfs/dbraw/zinc/32/93/02/479329302.db2.gz BRMNSHCYCBEWOW-UHFFFAOYSA-N 0 0 337.326 2.917 10 5 EFBERN O=C1N(CCNc2ccc([N+](=O)[O-])cc2Cl)C[C@H]2CCCCN12 ZINC000596533686 479330990 /nfs/dbraw/zinc/33/09/90/479330990.db2.gz JWGGUZRAACLTNO-GFCCVEGCSA-N 0 0 338.795 2.950 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000596536156 479331958 /nfs/dbraw/zinc/33/19/58/479331958.db2.gz MNOPNHFNELDXLM-CYBMUJFWSA-N 0 0 342.399 2.884 10 5 EFBERN CCOc1cccc(N2CCC[C@H](C(=O)NC(C)C)C2)c1[N+](=O)[O-] ZINC000596536649 479332218 /nfs/dbraw/zinc/33/22/18/479332218.db2.gz RWHYIBILWRTIKZ-ZDUSSCGKSA-N 0 0 335.404 2.735 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596537977 479333311 /nfs/dbraw/zinc/33/33/11/479333311.db2.gz NVXVXEZXCOYCCB-AWEZNQCLSA-N 0 0 342.399 2.884 10 5 EFBERN CN(C[C@@H]1CCc2ccccc21)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596543637 479334470 /nfs/dbraw/zinc/33/44/70/479334470.db2.gz MQEYWFCMODYFBX-ZDUSSCGKSA-N 0 0 327.384 2.836 10 5 EFBERN CN(C[C@@H]1CCc2ccccc21)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596542787 479334625 /nfs/dbraw/zinc/33/46/25/479334625.db2.gz IKFXKVMBFFVLJF-AWEZNQCLSA-N 0 0 325.368 2.860 10 5 EFBERN CC1(C)OCC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596547183 479335176 /nfs/dbraw/zinc/33/51/76/479335176.db2.gz XVVUOHLGXHDNEO-LBPRGKRZSA-N 0 0 333.388 2.714 10 5 EFBERN Cc1c(Br)c(NC[C@@H]2CCOC2(C)C)ncc1[N+](=O)[O-] ZINC000596546711 479335640 /nfs/dbraw/zinc/33/56/40/479335640.db2.gz UFUVCWPMVBLPHY-VIFPVBQESA-N 0 0 344.209 2.710 10 5 EFBERN Cc1ccc2c(c1Br)CN(c1c([N+](=O)[O-])ncn1C)C2 ZINC000596548346 479336484 /nfs/dbraw/zinc/33/64/84/479336484.db2.gz RGTXUVMJIPBIOS-UHFFFAOYSA-N 0 0 337.177 2.919 10 5 EFBERN C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccncc1 ZINC000611281463 479337152 /nfs/dbraw/zinc/33/71/52/479337152.db2.gz MZCXSALPRNTLHD-VIFPVBQESA-N 0 0 341.414 2.670 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](CC(F)(F)F)O1 ZINC000596553048 479337617 /nfs/dbraw/zinc/33/76/17/479337617.db2.gz DDPROUBJJVQUKS-HTQZYQBOSA-N 0 0 337.273 2.862 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@@H](CC(F)(F)F)C2)s1 ZINC000596558100 479338509 /nfs/dbraw/zinc/33/85/09/479338509.db2.gz NDCPJGNJYFMHBB-ZETCQYMHSA-N 0 0 348.306 2.757 10 5 EFBERN COc1cc(N2CCO[C@H](CC(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000596558624 479339602 /nfs/dbraw/zinc/33/96/02/479339602.db2.gz SFRKIIXSZKGFRF-MRVPVSSYSA-N 0 0 338.257 2.900 10 5 EFBERN CC(C)(C)OC(=O)C1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCC1 ZINC000596560268 479340236 /nfs/dbraw/zinc/34/02/36/479340236.db2.gz JZYQEDZYHWDDOX-UHFFFAOYSA-N 0 0 349.387 2.618 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](c2ccccc2)[C@H](C)O)c1[N+](=O)[O-] ZINC000596566775 479342273 /nfs/dbraw/zinc/34/22/73/479342273.db2.gz MHEZYNXMBBWUFO-SMDDNHRTSA-N 0 0 345.355 2.701 10 5 EFBERN COC(=O)c1cnc([C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)s1 ZINC000596568869 479343504 /nfs/dbraw/zinc/34/35/04/479343504.db2.gz XYAVMHAWCSSQOT-JTQLQIEISA-N 0 0 348.384 2.617 10 5 EFBERN Cc1sc(C(=O)N[C@@H](CO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000611303759 479343482 /nfs/dbraw/zinc/34/34/82/479343482.db2.gz SGFZIHNCXGYJEI-MFKMUULPSA-N 0 0 334.397 2.859 10 5 EFBERN Cc1sc(C(=O)N[C@H](CO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000611303760 479343911 /nfs/dbraw/zinc/34/39/11/479343911.db2.gz SGFZIHNCXGYJEI-ZWNOBZJWSA-N 0 0 334.397 2.859 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@@](C)(C(F)F)C1 ZINC000596570932 479344013 /nfs/dbraw/zinc/34/40/13/479344013.db2.gz ATLZAIZVZKQGLR-OAHLLOKOSA-N 0 0 344.314 2.550 10 5 EFBERN COC(=O)c1cc(N2CCO[C@](C)(C(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000596571437 479344095 /nfs/dbraw/zinc/34/40/95/479344095.db2.gz DTHVENQJPYLZMH-HNNXBMFYSA-N 0 0 344.314 2.550 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000611306252 479344661 /nfs/dbraw/zinc/34/46/61/479344661.db2.gz BICDRMQFPMWFLH-OAHLLOKOSA-N 0 0 334.351 2.662 10 5 EFBERN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@](C)(C(F)F)O1 ZINC000596573922 479344915 /nfs/dbraw/zinc/34/49/15/479344915.db2.gz ZMOMLBRKTXDKMD-UHLUBPPHSA-N 0 0 344.343 2.848 10 5 EFBERN C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@](C)(C(F)F)O1 ZINC000596574767 479344994 /nfs/dbraw/zinc/34/49/94/479344994.db2.gz RCVQWSPLVGEGFL-VFZGTOFNSA-N 0 0 338.314 2.787 10 5 EFBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@](C)(C(F)F)O1 ZINC000596573611 479345128 /nfs/dbraw/zinc/34/51/28/479345128.db2.gz LEEJPYIRDNCLAC-CLAHSXSESA-N 0 0 326.303 2.720 10 5 EFBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@](C)(C(F)F)O1 ZINC000596573612 479345154 /nfs/dbraw/zinc/34/51/54/479345154.db2.gz LEEJPYIRDNCLAC-RMLUDKJBSA-N 0 0 326.303 2.720 10 5 EFBERN CC(NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)(C1CC1)C1CC1 ZINC000596585888 479349076 /nfs/dbraw/zinc/34/90/76/479349076.db2.gz BDVDJPITXXPDMB-UHFFFAOYSA-N 0 0 343.387 2.849 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(Cc2cccnc2)CC1 ZINC000593459028 479349251 /nfs/dbraw/zinc/34/92/51/479349251.db2.gz VXBLNUQXACSSRD-UHFFFAOYSA-N 0 0 349.394 2.860 10 5 EFBERN CC(=O)N(C)C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593458962 479349362 /nfs/dbraw/zinc/34/93/62/479349362.db2.gz VEOMJBBBWWGKAL-UHFFFAOYSA-N 0 0 328.372 2.590 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000586777715 479350104 /nfs/dbraw/zinc/35/01/04/479350104.db2.gz WAZBYODEEVLEGQ-ZWNOBZJWSA-N 0 0 334.294 2.625 10 5 EFBERN Cc1ccc(C[C@H]2CCCN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000611335096 479350449 /nfs/dbraw/zinc/35/04/49/479350449.db2.gz QFVWQTLCBYQXLM-OAHLLOKOSA-N 0 0 342.399 2.732 10 5 EFBERN COc1ccc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000586777435 479350570 /nfs/dbraw/zinc/35/05/70/479350570.db2.gz OXSCYTDEIXSDBT-TVQRCGJNSA-N 0 0 334.294 2.755 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(COC(C)(C)C)cc2)n1 ZINC000611335132 479350726 /nfs/dbraw/zinc/35/07/26/479350726.db2.gz AYEOPIKDWNEODX-UHFFFAOYSA-N 0 0 332.360 2.896 10 5 EFBERN CO[C@H](c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)C1CCCCC1 ZINC000596592468 479350937 /nfs/dbraw/zinc/35/09/37/479350937.db2.gz GJUBTSKKHZEGFW-LBPRGKRZSA-N 0 0 335.364 2.955 10 5 EFBERN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593461352 479350925 /nfs/dbraw/zinc/35/09/25/479350925.db2.gz KNUAXSWUKNTKDX-WCQYABFASA-N 0 0 349.412 2.911 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@]34C[C@H]3COC4(C)C)n2)c1 ZINC000596591465 479351846 /nfs/dbraw/zinc/35/18/46/479351846.db2.gz JBSRSYSNDHHNPM-GTNSWQLSSA-N 0 0 345.355 2.644 10 5 EFBERN Cn1cc(C[C@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)cn1 ZINC000593463936 479352071 /nfs/dbraw/zinc/35/20/71/479352071.db2.gz CQZJUGVSVGBOFW-CYBMUJFWSA-N 0 0 337.383 2.946 10 5 EFBERN COCCOC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593462721 479352207 /nfs/dbraw/zinc/35/22/07/479352207.db2.gz XQOFMGFQIUDUCO-UHFFFAOYSA-N 0 0 331.372 2.775 10 5 EFBERN O=[N+]([O-])c1ccn(CCN2CCc3c(cccc3C(F)(F)F)C2)n1 ZINC000599616026 479353435 /nfs/dbraw/zinc/35/34/35/479353435.db2.gz WJZHTRIGOVWVBW-UHFFFAOYSA-N 0 0 340.305 2.868 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597479 479353632 /nfs/dbraw/zinc/35/36/32/479353632.db2.gz UHJMZRHDZZJRLK-UHFFFAOYSA-N 0 0 330.388 2.911 10 5 EFBERN CS(=O)(=O)[C@H]1CCCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593469130 479355445 /nfs/dbraw/zinc/35/54/45/479355445.db2.gz LUVFJWAGDMJQCG-ZDUSSCGKSA-N 0 0 349.412 2.547 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000593468483 479355671 /nfs/dbraw/zinc/35/56/71/479355671.db2.gz FWSQIINTSSVTTR-YVEFUNNKSA-N 0 0 329.356 2.893 10 5 EFBERN CN(Cc1ncnn1CC(F)F)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593469187 479355767 /nfs/dbraw/zinc/35/57/67/479355767.db2.gz MQEOUDXUGLABHO-UHFFFAOYSA-N 0 0 348.313 2.636 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@@]2(CCCOC2)C1 ZINC000593474342 479357568 /nfs/dbraw/zinc/35/75/68/479357568.db2.gz CYDPHCFBEKMNFR-KRWDZBQOSA-N 0 0 329.356 2.529 10 5 EFBERN CCNC(=O)C1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000593473726 479357831 /nfs/dbraw/zinc/35/78/31/479357831.db2.gz WOUVNXXTSLUDMD-UHFFFAOYSA-N 0 0 328.372 2.861 10 5 EFBERN C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806005 479358028 /nfs/dbraw/zinc/35/80/28/479358028.db2.gz QFGVCFZMVIZCHX-QWHCGFSZSA-N 0 0 347.415 2.683 10 5 EFBERN CS(=O)(=O)CC1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000593480386 479360483 /nfs/dbraw/zinc/36/04/83/479360483.db2.gz WBJFVYTUBDDLCZ-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc([S@](C)=O)c1 ZINC000586825082 479360972 /nfs/dbraw/zinc/36/09/72/479360972.db2.gz FVKUIGMDMZASHG-DEOSSOPVSA-N 0 0 346.408 2.647 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(C2(O)CC2)CC1 ZINC000593482254 479361357 /nfs/dbraw/zinc/36/13/57/479361357.db2.gz OPARWFSUFMCDMM-UHFFFAOYSA-N 0 0 343.383 2.893 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc([S@@](C)=O)c1 ZINC000586825083 479361449 /nfs/dbraw/zinc/36/14/49/479361449.db2.gz FVKUIGMDMZASHG-XMMPIXPASA-N 0 0 346.408 2.647 10 5 EFBERN C[C@]1(c2cccc(F)c2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000593483059 479361566 /nfs/dbraw/zinc/36/15/66/479361566.db2.gz YPPVUSNHBJLJHH-SFHVURJKSA-N 0 0 345.374 2.976 10 5 EFBERN CC[C@H](NC(=O)[C@H]1CCn2cc(C)nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000599635088 479361888 /nfs/dbraw/zinc/36/18/88/479361888.db2.gz MPQGBKLMYOSLKO-HOCLYGCPSA-N 0 0 342.399 2.930 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)c2c[nH]c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000586834234 479362139 /nfs/dbraw/zinc/36/21/39/479362139.db2.gz NADJUQTVYXVLRU-UHFFFAOYSA-N 0 0 330.344 2.572 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Cl)c1 ZINC000599633122 479362451 /nfs/dbraw/zinc/36/24/51/479362451.db2.gz ADBSFTLATANPQE-BHVCSQLQSA-N 0 0 328.821 2.734 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1NC[C@@]1(CO)CCc3ccccc31)CCN2 ZINC000593485247 479362860 /nfs/dbraw/zinc/36/28/60/479362860.db2.gz UUJBXROVEBZWAN-LJQANCHMSA-N 0 0 339.395 2.851 10 5 EFBERN CCc1nc(CN[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000599642805 479365131 /nfs/dbraw/zinc/36/51/31/479365131.db2.gz KHRPNLAXBLAGSE-MRXNPFEDSA-N 0 0 349.412 2.792 10 5 EFBERN O=c1[nH]c(N[C@H](C2CC2)C2CCOCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000593492207 479365177 /nfs/dbraw/zinc/36/51/77/479365177.db2.gz SLYDWRWXEQXFFW-OAHLLOKOSA-N 0 0 344.371 2.861 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593495139 479366423 /nfs/dbraw/zinc/36/64/23/479366423.db2.gz TZOQOQZQUOBYTH-UHFFFAOYSA-N 0 0 336.289 2.990 10 5 EFBERN CC(C)CC[C@](C)(O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593498219 479367385 /nfs/dbraw/zinc/36/73/85/479367385.db2.gz XJNSEMCSYKBHKE-INIZCTEOSA-N 0 0 326.368 2.580 10 5 EFBERN COc1cccc2c1CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000599647167 479367284 /nfs/dbraw/zinc/36/72/84/479367284.db2.gz WADWERKMDLFOID-UHFFFAOYSA-N 0 0 341.367 2.866 10 5 EFBERN CCOc1cccc(N2CCC(Cn3cnnc3)CC2)c1[N+](=O)[O-] ZINC000593501073 479367779 /nfs/dbraw/zinc/36/77/79/479367779.db2.gz VEDYAKVSNXZOCK-UHFFFAOYSA-N 0 0 331.376 2.502 10 5 EFBERN COC(=O)[C@@](C)(NC[C@H](CC(C)C)OC)c1cccc([N+](=O)[O-])c1 ZINC000599650277 479370066 /nfs/dbraw/zinc/37/00/66/479370066.db2.gz HDBBVIBDFQOWOT-RDJZCZTQSA-N 0 0 338.404 2.634 10 5 EFBERN CC[C@@H](NC(=O)Cc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593506830 479370207 /nfs/dbraw/zinc/37/02/07/479370207.db2.gz CPEOTKDVPSUNBH-MRXNPFEDSA-N 0 0 342.399 2.938 10 5 EFBERN CC(C)NC(=O)c1ccc(NCCC2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000593511920 479371175 /nfs/dbraw/zinc/37/11/75/479371175.db2.gz GQKLQADUJAWASF-UHFFFAOYSA-N 0 0 335.404 2.698 10 5 EFBERN COC(=O)Cc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)c(OC)c1 ZINC000596647474 479371326 /nfs/dbraw/zinc/37/13/26/479371326.db2.gz MFMQITXSNJFSRP-UHFFFAOYSA-N 0 0 345.351 2.521 10 5 EFBERN Cc1c(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000587426070 479371680 /nfs/dbraw/zinc/37/16/80/479371680.db2.gz ZQJOWPRCNPMIRC-PRHODGIISA-N 0 0 332.278 2.695 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000587425013 479371833 /nfs/dbraw/zinc/37/18/33/479371833.db2.gz ADIOVZPSKGHRTE-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1c(CC(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000587404941 479372018 /nfs/dbraw/zinc/37/20/18/479372018.db2.gz IHHLWZCGLKJJPA-TVQRCGJNSA-N 0 0 346.305 2.624 10 5 EFBERN Cc1c(CC(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000587404931 479372076 /nfs/dbraw/zinc/37/20/76/479372076.db2.gz IHHLWZCGLKJJPA-NOZJJQNGSA-N 0 0 346.305 2.624 10 5 EFBERN Nc1cc(NCCCOc2ccc(F)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587571112 479372483 /nfs/dbraw/zinc/37/24/83/479372483.db2.gz LBSJOVUYBSCFFP-UHFFFAOYSA-N 0 0 335.335 2.689 10 5 EFBERN C[C@@H](Cc1ccco1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596651503 479372734 /nfs/dbraw/zinc/37/27/34/479372734.db2.gz VAISIKSGZJNEQW-AWEZNQCLSA-N 0 0 343.383 2.715 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000587434193 479372954 /nfs/dbraw/zinc/37/29/54/479372954.db2.gz PJBISJHKHPFOGM-GXFFZTMASA-N 0 0 346.305 2.706 10 5 EFBERN Nc1cc(NC2CCN(c3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587434385 479373070 /nfs/dbraw/zinc/37/30/70/479373070.db2.gz ZSUNQXNCWIKALX-UHFFFAOYSA-N 0 0 342.399 2.750 10 5 EFBERN C[C@H](NC(=O)NCCc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC000611418756 479373861 /nfs/dbraw/zinc/37/38/61/479373861.db2.gz RZQYEBLOTBCVIC-ZDUSSCGKSA-N 0 0 343.383 2.690 10 5 EFBERN O=C([O-])[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000596656435 479375369 /nfs/dbraw/zinc/37/53/69/479375369.db2.gz CDVRAINKFKUZPZ-GFCCVEGCSA-N 0 0 344.314 2.787 10 5 EFBERN CC1(C)CN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H]2COC[C@H]2O1 ZINC000593519783 479375347 /nfs/dbraw/zinc/37/53/47/479375347.db2.gz CGGNBXATSMVEQI-HZPDHXFCSA-N 0 0 329.356 2.526 10 5 EFBERN Nc1cc(NC[C@H]2CCc3ccccc3N2)cc(CO)c1[N+](=O)[O-] ZINC000587862068 479375924 /nfs/dbraw/zinc/37/59/24/479375924.db2.gz CLEKSDLKZHGTAF-CYBMUJFWSA-N 0 0 328.372 2.508 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H](n3ccnc3)C2)s1 ZINC000587866611 479375938 /nfs/dbraw/zinc/37/59/38/479375938.db2.gz DTQOAUVSFSGKDO-SNVBAGLBSA-N 0 0 330.373 2.638 10 5 EFBERN COc1cc(N[C@@H]2CCCc3c2ccc(=O)n3C)ccc1[N+](=O)[O-] ZINC000593520937 479375956 /nfs/dbraw/zinc/37/59/56/479375956.db2.gz QECUVZFQULTFEW-CYBMUJFWSA-N 0 0 329.356 2.792 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@@]3(CC3(F)F)C2)c(Br)c1 ZINC000593521202 479376168 /nfs/dbraw/zinc/37/61/68/479376168.db2.gz MPKMQWHYPQJXIN-SNVBAGLBSA-N 0 0 334.120 2.988 10 5 EFBERN Nc1cc(N2CCCO[C@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587887102 479377321 /nfs/dbraw/zinc/37/73/21/479377321.db2.gz MHPJSDKHXHHWPU-KRWDZBQOSA-N 0 0 343.383 2.637 10 5 EFBERN CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593525023 479377411 /nfs/dbraw/zinc/37/74/11/479377411.db2.gz FRRJFHKWPMREMH-UHFFFAOYSA-N 0 0 349.412 2.934 10 5 EFBERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000611430039 479377787 /nfs/dbraw/zinc/37/77/87/479377787.db2.gz RLPXYUTXEYHCKM-TZTCFGBESA-N 0 0 331.372 2.865 10 5 EFBERN COC(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000599662768 479378353 /nfs/dbraw/zinc/37/83/53/479378353.db2.gz XJLWZOAQEHGAOZ-BBWFWOEESA-N 0 0 348.399 2.637 10 5 EFBERN CO[C@@H]1[C@H](C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000611430038 479378556 /nfs/dbraw/zinc/37/85/56/479378556.db2.gz RLPXYUTXEYHCKM-TURNYIBQSA-N 0 0 331.372 2.865 10 5 EFBERN CO[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000596665572 479378672 /nfs/dbraw/zinc/37/86/72/479378672.db2.gz AXMAYHNEAJXKJM-MRXNPFEDSA-N 0 0 335.404 2.718 10 5 EFBERN COc1ccccc1[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587982585 479379153 /nfs/dbraw/zinc/37/91/53/479379153.db2.gz XCIXSTPYFHYLAW-LBPRGKRZSA-N 0 0 343.383 2.672 10 5 EFBERN Nc1cc(N2CC[C@H](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587983881 479379370 /nfs/dbraw/zinc/37/93/70/479379370.db2.gz CLQULAZZAHJBSK-CQSZACIVSA-N 0 0 327.384 2.738 10 5 EFBERN C[C@H]1c2ccccc2CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587990071 479380187 /nfs/dbraw/zinc/38/01/87/479380187.db2.gz WNNUCBJCMAEACN-NSHDSACASA-N 0 0 338.367 2.866 10 5 EFBERN COc1ccccc1O[C@@H](C)CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587987118 479380234 /nfs/dbraw/zinc/38/02/34/479380234.db2.gz KQMYEECKQPZKBX-NSHDSACASA-N 0 0 347.371 2.557 10 5 EFBERN CN(CCCCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593534146 479380363 /nfs/dbraw/zinc/38/03/63/479380363.db2.gz HECHPJQAFQYBBF-UHFFFAOYSA-N 0 0 349.412 2.633 10 5 EFBERN CCC1(CC)[C@H](N(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1OC ZINC000588001070 479381936 /nfs/dbraw/zinc/38/19/36/479381936.db2.gz JVXYYVMOJPBUNC-CABCVRRESA-N 0 0 337.420 2.699 10 5 EFBERN Nc1cc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc(CO)c1[N+](=O)[O-] ZINC000588001948 479382020 /nfs/dbraw/zinc/38/20/20/479382020.db2.gz MTDSIVCYUPWILU-UXLLHSPISA-N 0 0 325.368 2.667 10 5 EFBERN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc([S@](C)=O)cc1 ZINC000588006965 479383191 /nfs/dbraw/zinc/38/31/91/479383191.db2.gz PBWZXUMIQSQDIL-ZZDSUILFSA-N 0 0 349.412 2.580 10 5 EFBERN C[C@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545536 479383264 /nfs/dbraw/zinc/38/32/64/479383264.db2.gz GGXFRVLPGXGLPO-JSGCOSHPSA-N 0 0 347.396 2.557 10 5 EFBERN CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588011382 479383640 /nfs/dbraw/zinc/38/36/40/479383640.db2.gz FAHNZNVLGFZOQO-BMLIUANNSA-N 0 0 349.362 2.997 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3cccnc3)CC2)n1 ZINC000588010491 479383850 /nfs/dbraw/zinc/38/38/50/479383850.db2.gz JIXRMZRBQMCOOR-UHFFFAOYSA-N 0 0 342.355 2.555 10 5 EFBERN Cc1ccccc1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000593545580 479384087 /nfs/dbraw/zinc/38/40/87/479384087.db2.gz NNLFIFQGDOGJBD-MRXNPFEDSA-N 0 0 347.396 2.728 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)nc1 ZINC000593547772 479384557 /nfs/dbraw/zinc/38/45/57/479384557.db2.gz YOUDNWDKYMJZMW-OAHLLOKOSA-N 0 0 337.401 2.501 10 5 EFBERN CCC[C@]1(C)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593553879 479386312 /nfs/dbraw/zinc/38/63/12/479386312.db2.gz RRSHUSACCKFTAJ-CQSZACIVSA-N 0 0 327.406 2.581 10 5 EFBERN CC(C)(O)C1CCC(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000593558316 479387343 /nfs/dbraw/zinc/38/73/43/479387343.db2.gz HTWQHPZLJLUKKI-UHFFFAOYSA-N 0 0 334.416 2.831 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NCc3ccnc(OC(F)F)c3)c2c1 ZINC000588050763 479387446 /nfs/dbraw/zinc/38/74/46/479387446.db2.gz ZDCHIXYZTJMKPP-UHFFFAOYSA-N 0 0 347.281 2.568 10 5 EFBERN CC(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562318 479388693 /nfs/dbraw/zinc/38/86/93/479388693.db2.gz FJWZFAGUMGLTPK-GFCCVEGCSA-N 0 0 327.406 2.579 10 5 EFBERN COc1cc(CCNC(=O)[C@H]2CCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000596689172 479389150 /nfs/dbraw/zinc/38/91/50/479389150.db2.gz PJAUQQUHZJNCPP-GFCCVEGCSA-N 0 0 336.388 2.707 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000588068526 479389348 /nfs/dbraw/zinc/38/93/48/479389348.db2.gz RSBZNSVKZJLOIK-RCOVLWMOSA-N 0 0 325.674 2.799 10 5 EFBERN COc1ccc(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000611475594 479389339 /nfs/dbraw/zinc/38/93/39/479389339.db2.gz DWRJWVSWRADDKX-LLVKDONJSA-N 0 0 330.344 2.828 10 5 EFBERN COC1(C)CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000611479767 479389511 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Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(Cl)o1 ZINC000603556341 479404439 /nfs/dbraw/zinc/40/44/39/479404439.db2.gz PSUZWESANIQSHB-UHFFFAOYSA-N 0 0 330.749 2.628 10 5 EFBERN Nc1cc(NC[C@H]2CCN(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525523 479405611 /nfs/dbraw/zinc/40/56/11/479405611.db2.gz IZSQHPOBXFHSHD-CYBMUJFWSA-N 0 0 342.399 2.608 10 5 EFBERN Nc1cc(N2CCc3c(Cl)cccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000611525738 479405711 /nfs/dbraw/zinc/40/57/11/479405711.db2.gz IDKSYULSGRXQEV-UHFFFAOYSA-N 0 0 333.775 2.885 10 5 EFBERN CC(C)(C)CC(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000603585845 479408895 /nfs/dbraw/zinc/40/88/95/479408895.db2.gz GPUOFHUKTPKCOM-UHFFFAOYSA-N 0 0 348.403 2.707 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000611541923 479410115 /nfs/dbraw/zinc/41/01/15/479410115.db2.gz JVPDIVOAEDTFSH-CQSZACIVSA-N 0 0 346.408 2.945 10 5 EFBERN Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000599737387 479410806 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EFBERN COC(=O)c1c(Cl)c(N[C@@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000590577177 479661745 /nfs/dbraw/zinc/66/17/45/479661745.db2.gz BNPCOOSNCDMBRC-SECBINFHSA-N 0 0 330.768 2.854 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000590577178 479662031 /nfs/dbraw/zinc/66/20/31/479662031.db2.gz BNPCOOSNCDMBRC-VIFPVBQESA-N 0 0 330.768 2.854 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000590577471 479662958 /nfs/dbraw/zinc/66/29/58/479662958.db2.gz GLRQTRLPBRIEOJ-KCJUWKMLSA-N 0 0 328.752 2.608 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)C[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000590579882 479662987 /nfs/dbraw/zinc/66/29/87/479662987.db2.gz XRJKOOOPLQXVOS-JTQLQIEISA-N 0 0 342.779 2.898 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]3C(F)(F)F)n2)c1 ZINC000590598788 479666441 /nfs/dbraw/zinc/66/64/41/479666441.db2.gz AMAACRWZZHXDIZ-SNVBAGLBSA-N 0 0 328.250 2.781 10 5 EFBERN C[C@H](N[C@H](c1cnn(C)c1)C1(CO)CCC1)c1ccccc1[N+](=O)[O-] ZINC000590599288 479666562 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Cc1cc(S(=O)(=O)NCc2ccc(Cl)o2)ccc1[N+](=O)[O-] ZINC000609673127 480195150 /nfs/dbraw/zinc/19/51/50/480195150.db2.gz DOTUYGFFQVXBQN-UHFFFAOYSA-N 0 0 330.749 2.628 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCOC[C@H]1c1ccco1 ZINC000609738687 480200686 /nfs/dbraw/zinc/20/06/86/480200686.db2.gz FMHNLEOYRASWMF-AWEZNQCLSA-N 0 0 341.323 2.883 10 5 EFBERN Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000609765809 480203286 /nfs/dbraw/zinc/20/32/86/480203286.db2.gz WJRMWUFDYGDLQV-CQSZACIVSA-N 0 0 330.363 2.940 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1C(F)(F)F ZINC000610066636 480234004 /nfs/dbraw/zinc/23/40/04/480234004.db2.gz FOPLQJPLZVNEQD-JTQLQIEISA-N 0 0 338.669 2.652 10 5 EFBERN Cc1sc(C(=O)N(Cc2ccccc2)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000610164012 480246664 /nfs/dbraw/zinc/24/66/64/480246664.db2.gz WMFAVBSLYLONAJ-NSHDSACASA-N 0 0 334.397 2.988 10 5 EFBERN CC(C)Cn1ccnc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610200259 480249830 /nfs/dbraw/zinc/24/98/30/480249830.db2.gz VUJVYCWVNNMDGL-UHFFFAOYSA-N 0 0 341.371 2.859 10 5 EFBERN COc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])nc1 ZINC000610244563 480257503 /nfs/dbraw/zinc/25/75/03/480257503.db2.gz UUGCJPPXBLDWJR-UHFFFAOYSA-N 0 0 349.368 2.981 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(O)cccc2F)c1C ZINC000610254214 480261654 /nfs/dbraw/zinc/26/16/54/480261654.db2.gz IOUKFKJNVXOQIB-UHFFFAOYSA-N 0 0 340.332 2.857 10 5 EFBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262156 480264882 /nfs/dbraw/zinc/26/48/82/480264882.db2.gz YMGWLEZYOXLVSN-LLVKDONJSA-N 0 0 327.406 2.579 10 5 EFBERN CCc1cnc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)s1 ZINC000610281280 480270707 /nfs/dbraw/zinc/27/07/07/480270707.db2.gz XEOJIWITRVYBPZ-UHFFFAOYSA-N 0 0 333.417 2.644 10 5 EFBERN Cc1sc(C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610398382 480297325 /nfs/dbraw/zinc/29/73/25/480297325.db2.gz FITCLRWEBPXGIU-QUBYGPBYSA-N 0 0 338.307 2.757 10 5 EFBERN Cc1sc(C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610398291 480297116 /nfs/dbraw/zinc/29/71/16/480297116.db2.gz FITCLRWEBPXGIU-LDWIPMOCSA-N 0 0 338.307 2.757 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000610398221 480297377 /nfs/dbraw/zinc/29/73/77/480297377.db2.gz BCYBFQBXFSRODK-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000610398224 480297458 /nfs/dbraw/zinc/29/74/58/480297458.db2.gz BCYBFQBXFSRODK-SKDRFNHKSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)c2ccncc2)cc1C ZINC000610518537 480327807 /nfs/dbraw/zinc/32/78/07/480327807.db2.gz ZIOQAQQNPAQMGH-ZDUSSCGKSA-N 0 0 349.412 2.689 10 5 EFBERN COC(=O)Cc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000614511733 480328209 /nfs/dbraw/zinc/32/82/09/480328209.db2.gz PRKFQWICYPXRGS-GFCCVEGCSA-N 0 0 342.351 2.801 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](c3nc[nH]n3)c3ccccc3)c2c1 ZINC000614516708 480328674 /nfs/dbraw/zinc/32/86/74/480328674.db2.gz VWGYPDZHCCGYDU-OAHLLOKOSA-N 0 0 347.338 2.858 10 5 EFBERN CC[C@H](NC(=O)c1cn2cccnc2n1)c1cccc([N+](=O)[O-])c1 ZINC000610525920 480329660 /nfs/dbraw/zinc/32/96/60/480329660.db2.gz IREWBUNKABGATQ-ZDUSSCGKSA-N 0 0 325.328 2.519 10 5 EFBERN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610529300 480331204 /nfs/dbraw/zinc/33/12/04/480331204.db2.gz JXSDGLZSMFEJQT-ZDUSSCGKSA-N 0 0 343.387 2.505 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)c1ccncc1 ZINC000610530672 480332036 /nfs/dbraw/zinc/33/20/36/480332036.db2.gz UHUSFQSLJLXWHT-LLVKDONJSA-N 0 0 330.344 2.924 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c(F)c(F)cc(F)c1F ZINC000610603604 480348154 /nfs/dbraw/zinc/34/81/54/480348154.db2.gz XJDFQNFEEWLFDM-UHFFFAOYSA-N 0 0 343.236 2.785 10 5 EFBERN C[C@H](C(=O)N1CCC[C@H](OC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000617762898 480355891 /nfs/dbraw/zinc/35/58/91/480355891.db2.gz PFQOCZQLEWIXCV-GWCFXTLKSA-N 0 0 328.315 2.929 10 5 EFBERN C/C=C\C[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000617763858 480355900 /nfs/dbraw/zinc/35/59/00/480355900.db2.gz QBFQIZQDNHZKPR-BQUOTFMISA-N 0 0 334.372 2.712 10 5 EFBERN C[C@@H](C(=O)N1CCC[C@@H](OC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000617762901 480356263 /nfs/dbraw/zinc/35/62/63/480356263.db2.gz PFQOCZQLEWIXCV-ZWNOBZJWSA-N 0 0 328.315 2.929 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]2COCC[C@H]21 ZINC000610689409 480365361 /nfs/dbraw/zinc/36/53/61/480365361.db2.gz PWNAGKPLGBLJKV-XJKSGUPXSA-N 0 0 345.399 2.810 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]2COCC[C@@H]21 ZINC000610689360 480365495 /nfs/dbraw/zinc/36/54/95/480365495.db2.gz JVKJQTLDATXJQF-PBHICJAKSA-N 0 0 343.383 2.577 10 5 EFBERN COc1cc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000610716128 480372492 /nfs/dbraw/zinc/37/24/92/480372492.db2.gz QQMKOSFBZBEWRW-KRTXAFLBSA-N 0 0 338.257 2.899 10 5 EFBERN COc1ccc(C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000610719525 480373796 /nfs/dbraw/zinc/37/37/96/480373796.db2.gz CFBICBIPKCYNBD-OAHLLOKOSA-N 0 0 336.388 2.929 10 5 EFBERN CC(C)(CNC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610719733 480373961 /nfs/dbraw/zinc/37/39/61/480373961.db2.gz PABIQNLROYRSKS-OAHLLOKOSA-N 0 0 335.404 2.718 10 5 EFBERN CC(C)(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000610719301 480374279 /nfs/dbraw/zinc/37/42/79/480374279.db2.gz WRMUXSPJWJLZTG-OAHLLOKOSA-N 0 0 335.404 2.989 10 5 EFBERN CSC[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183670631 533782530 /nfs/dbraw/zinc/78/25/30/533782530.db2.gz BHFOWYNTWRBTBZ-QMMMGPOBSA-N 0 0 338.838 2.586 10 5 EFBERN C[C@H](CCNc1ccc(Br)cc1[N+](=O)[O-])[S@](C)=O ZINC000130353570 533945992 /nfs/dbraw/zinc/94/59/92/533945992.db2.gz BOKKGSPKHIECOG-NTCNTBNZSA-N 0 0 335.223 2.926 10 5 EFBERN C[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)C1 ZINC000158170056 533952535 /nfs/dbraw/zinc/95/25/35/533952535.db2.gz QQSJKHXBRMMUAX-OLZOCXBDSA-N 0 0 348.399 2.803 10 5 EFBERN C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000187157509 534015881 /nfs/dbraw/zinc/01/58/81/534015881.db2.gz CPIUJECIRCXDMA-ZYHUDNBSSA-N 0 0 331.328 2.902 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@H](C)c2cccnc2)c(C)c([N+](=O)[O-])c1 ZINC000339210166 518022577 /nfs/dbraw/zinc/02/25/77/518022577.db2.gz JVARSOYXQXJXFA-SNVBAGLBSA-N 0 0 343.339 2.827 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292984035 518140225 /nfs/dbraw/zinc/14/02/25/518140225.db2.gz XTBSPVIIMHYORT-GXTWGEPZSA-N 0 0 326.299 2.721 10 5 EFBERN Cc1c(Br)c(N2CCC[C@@H]2CCCO)ncc1[N+](=O)[O-] ZINC000165850055 518185756 /nfs/dbraw/zinc/18/57/56/518185756.db2.gz OXVPHDVSRJRNNI-SNVBAGLBSA-N 0 0 344.209 2.802 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000183338831 518441926 /nfs/dbraw/zinc/44/19/26/518441926.db2.gz LNZBDMPQPBCKKY-MXNSTGJPSA-N 0 0 338.363 2.773 10 5 EFBERN CC(=O)NCCCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000348935828 534368968 /nfs/dbraw/zinc/36/89/68/534368968.db2.gz NLIJHGMPYAQVID-GFCCVEGCSA-N 0 0 333.388 2.569 10 5 EFBERN CC(C)(C)OC(=O)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000172972223 518789659 /nfs/dbraw/zinc/78/96/59/518789659.db2.gz BCGXLPSQIHALRX-UHFFFAOYSA-N 0 0 333.344 2.538 10 5 EFBERN CC(C)(C)Oc1cc(N2CC[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000152380751 518887574 /nfs/dbraw/zinc/88/75/74/518887574.db2.gz IIEBQBLLBUCUHN-OAHLLOKOSA-N 0 0 349.431 2.683 10 5 EFBERN O=C(NCCc1ccsc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000046243028 519108611 /nfs/dbraw/zinc/10/86/11/519108611.db2.gz SPZQZMITSKZAFM-UHFFFAOYSA-N 0 0 342.380 2.815 10 5 EFBERN CC(=O)N(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000118264284 519459513 /nfs/dbraw/zinc/45/95/13/519459513.db2.gz KSEQMTPNYMYAKF-UHFFFAOYSA-N 0 0 327.340 2.759 10 5 EFBERN CC(=O)N[C@H](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000073303861 519695090 /nfs/dbraw/zinc/69/50/90/519695090.db2.gz FTWORRBRCQQZBI-QGZVFWFLSA-N 0 0 341.367 2.825 10 5 EFBERN CC(C)COC1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000056405994 519751336 /nfs/dbraw/zinc/75/13/36/519751336.db2.gz PDJCHNVXUNXRAF-UHFFFAOYSA-N 0 0 335.404 2.941 10 5 EFBERN CC(C)c1nnc2n1CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC000189530797 519895288 /nfs/dbraw/zinc/89/52/88/519895288.db2.gz SLFLBTBBFFKVEQ-CYBMUJFWSA-N 0 0 345.403 2.765 10 5 EFBERN CCOC[C@@H]1CCCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000070926227 520112912 /nfs/dbraw/zinc/11/29/12/520112912.db2.gz SCBIUSVGOYCUHY-CYBMUJFWSA-N 0 0 336.388 2.882 10 5 EFBERN CCOc1ccc(C(=O)NC[C@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000178302746 520911964 /nfs/dbraw/zinc/91/19/64/520911964.db2.gz FHJXZXATCPZUNW-WBVHZDCISA-N 0 0 336.388 2.665 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000151585567 520913511 /nfs/dbraw/zinc/91/35/11/520913511.db2.gz ZRIAOMFAFQFQOS-WQVCFCJDSA-N 0 0 346.383 2.681 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000073264491 520915574 /nfs/dbraw/zinc/91/55/74/520915574.db2.gz RGUBBDQVJSHLRW-YOEHRIQHSA-N 0 0 336.388 2.927 10 5 EFBERN CCCc1n[nH]c(C(=O)NCCc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000177118265 521328003 /nfs/dbraw/zinc/32/80/03/521328003.db2.gz AHLAGVKQPBKPDC-UHFFFAOYSA-N 0 0 338.314 2.521 10 5 EFBERN CNC(=O)c1ccc(NCCC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000154497643 521847597 /nfs/dbraw/zinc/84/75/97/521847597.db2.gz XFUOLRYILNTDSR-WBMJQRKESA-N 0 0 335.404 2.698 10 5 EFBERN Cc1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000187652558 534599082 /nfs/dbraw/zinc/59/90/82/534599082.db2.gz QAEHMKHBJFHUQB-ZFWWWQNUSA-N 0 0 346.408 2.813 10 5 EFBERN Cc1nc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)cs1 ZINC000189979198 534607218 /nfs/dbraw/zinc/60/72/18/534607218.db2.gz GKTZKNCTRANOEE-CQSZACIVSA-N 0 0 332.385 2.919 10 5 EFBERN COc1cc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000152721597 522142138 /nfs/dbraw/zinc/14/21/38/522142138.db2.gz VVKQNENGSNESPS-BXUZGUMPSA-N 0 0 342.351 2.898 10 5 EFBERN CC(C)(C)C[C@@H](CO)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359384211 534619240 /nfs/dbraw/zinc/61/92/40/534619240.db2.gz BKZBAOHCOBTFCT-JTQLQIEISA-N 0 0 346.330 2.723 10 5 EFBERN CN(C)c1nc(CSCCOc2ccc([N+](=O)[O-])cc2)ns1 ZINC000180744845 522319763 /nfs/dbraw/zinc/31/97/63/522319763.db2.gz HCYPLCGSUXWWLE-UHFFFAOYSA-N 0 0 340.430 2.825 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000156518488 522762125 /nfs/dbraw/zinc/76/21/25/522762125.db2.gz HLOKDLMPJPYBJU-UKRRQHHQSA-N 0 0 328.372 2.621 10 5 EFBERN CC[C@H](O)CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000123540793 522801698 /nfs/dbraw/zinc/80/16/98/522801698.db2.gz GIFUCNKLXYNCTP-ZFWWWQNUSA-N 0 0 349.431 2.722 10 5 EFBERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000125107583 523225543 /nfs/dbraw/zinc/22/55/43/523225543.db2.gz VCBBMXBLONYBNF-SMDDNHRTSA-N 0 0 331.376 2.518 10 5 EFBERN CN(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242217 523373746 /nfs/dbraw/zinc/37/37/46/523373746.db2.gz NXAKPAGMQINGSE-UHFFFAOYSA-N 0 0 330.362 2.616 10 5 EFBERN CC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccs1 ZINC000151452201 523661157 /nfs/dbraw/zinc/66/11/57/523661157.db2.gz WWZZDABZOHVWJZ-LLVKDONJSA-N 0 0 347.443 2.717 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2c(F)cccc2OC)c1[N+](=O)[O-] ZINC000174371609 523668981 /nfs/dbraw/zinc/66/89/81/523668981.db2.gz ALIFKNXDQYFHMM-QMMMGPOBSA-N 0 0 336.323 2.519 10 5 EFBERN CO[C@H](C)[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190408806 523897736 /nfs/dbraw/zinc/89/77/36/523897736.db2.gz BZLHWHYWLNUVOE-VHSXEESVSA-N 0 0 335.385 2.872 10 5 EFBERN CN(C(=O)c1cn(Cc2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000073472667 523956444 /nfs/dbraw/zinc/95/64/44/523956444.db2.gz HYQGYMBFUXBZEX-UHFFFAOYSA-N 0 0 337.339 2.511 10 5 EFBERN COCCOc1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000121987300 524055439 /nfs/dbraw/zinc/05/54/39/524055439.db2.gz CCKLWNPAEGKEBT-UHFFFAOYSA-N 0 0 348.330 2.689 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(N)c([N+](=O)[O-])c1 ZINC000245718343 524137679 /nfs/dbraw/zinc/13/76/79/524137679.db2.gz PEQITRWWMNLMAQ-HFBAOOFYSA-N 0 0 345.399 2.563 10 5 EFBERN Cc1cc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc([N+](=O)[O-])c1 ZINC000089199840 524167190 /nfs/dbraw/zinc/16/71/90/524167190.db2.gz UWMNZTXPNKITBN-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066333502 524179880 /nfs/dbraw/zinc/17/98/80/524179880.db2.gz AAMCQTIVDSTQHI-GHMZBOCLSA-N 0 0 348.446 2.530 10 5 EFBERN C[C@H](CCNc1ccc([N+](=O)[O-])cc1Br)[S@](C)=O ZINC000130413493 524199303 /nfs/dbraw/zinc/19/93/03/524199303.db2.gz CIBKPEWQPFYPNU-NTCNTBNZSA-N 0 0 335.223 2.926 10 5 EFBERN Cc1ccc(C)c([C@H]2CN(CCn3cc([N+](=O)[O-])cn3)[C@@H](C)CO2)c1 ZINC000245409699 524213246 /nfs/dbraw/zinc/21/32/46/524213246.db2.gz NORMMGUEFCEZPS-MAUKXSAKSA-N 0 0 344.415 2.870 10 5 EFBERN COc1ccc(N(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)cc1 ZINC000195303512 524336748 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/nfs/dbraw/zinc/19/22/25/525192225.db2.gz MKBQMSDPKLSXKC-ZETCQYMHSA-N 0 0 339.149 2.571 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nnc2n1CCCC2 ZINC000150971340 525313884 /nfs/dbraw/zinc/31/38/84/525313884.db2.gz CEWSYLHXCNONER-SECBINFHSA-N 0 0 349.778 2.667 10 5 EFBERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000074630332 525427669 /nfs/dbraw/zinc/42/76/69/525427669.db2.gz CZOWXCOVTKBLSF-UHFFFAOYSA-N 0 0 340.382 2.621 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000120356424 525448980 /nfs/dbraw/zinc/44/89/80/525448980.db2.gz VGQPVKDWFXMGOO-NHYWBVRUSA-N 0 0 342.351 2.898 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195517612 525457562 /nfs/dbraw/zinc/45/75/62/525457562.db2.gz MYDOTZYQAFBBFN-CYBMUJFWSA-N 0 0 346.387 2.750 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000194715308 525467141 /nfs/dbraw/zinc/46/71/41/525467141.db2.gz ZMQWWLMFERWMEV-CYBMUJFWSA-N 0 0 329.312 2.859 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ccccc1O ZINC000170931550 525467328 /nfs/dbraw/zinc/46/73/28/525467328.db2.gz KGOOUFGAPWLQOO-UHFFFAOYSA-N 0 0 331.328 2.673 10 5 EFBERN C[C@@H](O)C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000235307250 525746960 /nfs/dbraw/zinc/74/69/60/525746960.db2.gz CNJMKFBAFYXQEU-SNVBAGLBSA-N 0 0 343.221 2.950 10 5 EFBERN O=[N+]([O-])c1cnc(NCC2(CCO)CCC2)c(Br)c1 ZINC000132624229 534888825 /nfs/dbraw/zinc/88/88/25/534888825.db2.gz FXCULYFMBXYUTD-UHFFFAOYSA-N 0 0 330.182 2.717 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cscn1 ZINC000050402990 525933526 /nfs/dbraw/zinc/93/35/26/525933526.db2.gz ZAVFFHJKASTVMR-QMMMGPOBSA-N 0 0 341.776 2.788 10 5 EFBERN CSc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195097182 525958502 /nfs/dbraw/zinc/95/85/02/525958502.db2.gz XWDVSDYNDDPYKU-ZDUSSCGKSA-N 0 0 335.429 2.627 10 5 EFBERN CSc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000194022323 525970069 /nfs/dbraw/zinc/97/00/69/525970069.db2.gz APVSDUGAMCAXOS-HOCLYGCPSA-N 0 0 344.392 2.705 10 5 EFBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151748135 526031774 /nfs/dbraw/zinc/03/17/74/526031774.db2.gz CZOKVCWTVODKPU-FZKQIMNGSA-N 0 0 340.379 2.988 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2ccccc2N)c1C ZINC000158493324 526067349 /nfs/dbraw/zinc/06/73/49/526067349.db2.gz FRZGYUVVHYRKSO-UHFFFAOYSA-N 0 0 349.412 2.615 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135777676 526071296 /nfs/dbraw/zinc/07/12/96/526071296.db2.gz ZNWBCIVKSCSTKW-HNNXBMFYSA-N 0 0 327.340 2.592 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000136874367 526081484 /nfs/dbraw/zinc/08/14/84/526081484.db2.gz WONNIAOUOFOGFK-OAHLLOKOSA-N 0 0 342.355 2.983 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172438554 526083753 /nfs/dbraw/zinc/08/37/53/526083753.db2.gz DQGGNWWPUDNSAP-JKSUJKDBSA-N 0 0 327.340 2.683 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000063186949 526087338 /nfs/dbraw/zinc/08/73/38/526087338.db2.gz BABPEGDQOSBWBT-CABCVRRESA-N 0 0 332.381 2.738 10 5 EFBERN Cc1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000089200863 526220675 /nfs/dbraw/zinc/22/06/75/526220675.db2.gz YDYBWHUAPKUHEV-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN Cc1nn(CCC(=O)N2CCC3(C2)CCCCC3)c(C)c1[N+](=O)[O-] ZINC000174009709 526276888 /nfs/dbraw/zinc/27/68/88/526276888.db2.gz WUIOENMXMWIQHQ-UHFFFAOYSA-N 0 0 334.420 2.981 10 5 EFBERN Cc1nn(C[C@H](O)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000179853768 526285895 /nfs/dbraw/zinc/28/58/95/526285895.db2.gz JAWLOSIMLGMQSR-LLVKDONJSA-N 0 0 329.278 2.722 10 5 EFBERN Cc1csc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)n1 ZINC000178191771 526330340 /nfs/dbraw/zinc/33/03/40/526330340.db2.gz OLIDZZUJQHHGFF-UHFFFAOYSA-N 0 0 346.412 2.962 10 5 EFBERN Cc1csc([C@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)n1 ZINC000180824146 526442455 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O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]1c1ccco1 ZINC000181972418 526631459 /nfs/dbraw/zinc/63/14/59/526631459.db2.gz CONNSCRGNIWTAH-NSHDSACASA-N 0 0 330.296 2.894 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000132438468 526767686 /nfs/dbraw/zinc/76/76/86/526767686.db2.gz FJJIPBBZYCYGDM-DGCLKSJQSA-N 0 0 347.415 2.666 10 5 EFBERN O=C(NCc1cscn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000050408167 526812634 /nfs/dbraw/zinc/81/26/34/526812634.db2.gz CJUGPVIYVOYUCA-UHFFFAOYSA-N 0 0 346.412 2.584 10 5 EFBERN Cc1nc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000120342989 526822929 /nfs/dbraw/zinc/82/29/29/526822929.db2.gz VIWBFRWFWBTJRF-UHFFFAOYSA-N 0 0 330.369 2.814 10 5 EFBERN Cc1sc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000135707507 526871505 /nfs/dbraw/zinc/87/15/05/526871505.db2.gz NIMAQDGZDQESIM-LBPRGKRZSA-N 0 0 333.369 2.653 10 5 EFBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2cccs2)CC1 ZINC000185682710 526873120 /nfs/dbraw/zinc/87/31/20/526873120.db2.gz YOGJXGBPKQTWHI-UHFFFAOYSA-N 0 0 331.353 2.686 10 5 EFBERN Cc1sc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000056954465 526875538 /nfs/dbraw/zinc/87/55/38/526875538.db2.gz IYJDBDXXEACDFO-LLVKDONJSA-N 0 0 336.373 2.593 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000178625211 526907385 /nfs/dbraw/zinc/90/73/85/526907385.db2.gz QSDLQBRZPMKTSE-ZDUSSCGKSA-N 0 0 334.353 2.576 10 5 EFBERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156764121 526919133 /nfs/dbraw/zinc/91/91/33/526919133.db2.gz QGCBLOVLAFQISG-OAHLLOKOSA-N 0 0 345.399 2.506 10 5 EFBERN NC(=O)[C@@H]1CCC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000150908455 526969520 /nfs/dbraw/zinc/96/95/20/526969520.db2.gz YMGKAEGALAAEPK-SCZZXKLOSA-N 0 0 342.193 2.813 10 5 EFBERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000246187298 526984198 /nfs/dbraw/zinc/98/41/98/526984198.db2.gz SWJQBIDYCYRAJC-LERXQTSPSA-N 0 0 336.775 2.936 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCC[C@H]3CCCC[C@@H]3O)cc2N1 ZINC000154522590 527013245 /nfs/dbraw/zinc/01/32/45/527013245.db2.gz QYQKINDQSIABTO-ABAIWWIYSA-N 0 0 349.387 2.669 10 5 EFBERN NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119739320 527015158 /nfs/dbraw/zinc/01/51/58/527015158.db2.gz WQVRYDPNBLLYLM-MRXNPFEDSA-N 0 0 345.786 2.660 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179267438 527084881 /nfs/dbraw/zinc/08/48/81/527084881.db2.gz QOIYIVDCZWPUII-YJBOKZPZSA-N 0 0 349.346 2.531 10 5 EFBERN Cn1cc(-c2ncc(C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000112164290 527138725 /nfs/dbraw/zinc/13/87/25/527138725.db2.gz JFSVKEWIHHYHRL-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN Cn1cc(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000078056161 527156252 /nfs/dbraw/zinc/15/62/52/527156252.db2.gz STQKQTBDPFILIR-UHFFFAOYSA-N 0 0 329.234 2.609 10 5 EFBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000189860154 527177977 /nfs/dbraw/zinc/17/79/77/527177977.db2.gz OKDYLVSHZZDFKW-IRUJWGPZSA-N 0 0 325.752 2.937 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178538518 527246989 /nfs/dbraw/zinc/24/69/89/527246989.db2.gz BTQBRMWSCQLSJW-RDJZCZTQSA-N 0 0 346.770 2.565 10 5 EFBERN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000142144004 527308455 /nfs/dbraw/zinc/30/84/55/527308455.db2.gz BBDBTEIQKDCANB-UHFFFAOYSA-N 0 0 336.307 2.597 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000155229103 527311226 /nfs/dbraw/zinc/31/12/26/527311226.db2.gz VLANVOASDOPILJ-ZFWWWQNUSA-N 0 0 331.372 2.662 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000155229306 527312197 /nfs/dbraw/zinc/31/21/97/527312197.db2.gz VLANVOASDOPILJ-HIFRSBDPSA-N 0 0 331.372 2.662 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183705068 527313291 /nfs/dbraw/zinc/31/32/91/527313291.db2.gz CIZLGAOBEIZHHH-HNNXBMFYSA-N 0 0 345.330 2.731 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000133968434 527314174 /nfs/dbraw/zinc/31/41/74/527314174.db2.gz JOYYEBJPCLMKND-UHFFFAOYSA-N 0 0 341.327 2.758 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000171798841 527314516 /nfs/dbraw/zinc/31/45/16/527314516.db2.gz OZSDHFFMPDNTAW-CQSZACIVSA-N 0 0 331.303 2.691 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(N2CC=CC2)c1 ZINC000173135801 527315261 /nfs/dbraw/zinc/31/52/61/527315261.db2.gz FBMQYTJULOAHJG-UHFFFAOYSA-N 0 0 338.367 2.604 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000133063917 527315299 /nfs/dbraw/zinc/31/52/99/527315299.db2.gz ZMDHAKPNGYGCPD-PBHICJAKSA-N 0 0 341.367 2.948 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1Sc1nnnn1-c1ccccc1 ZINC000153502021 527335213 /nfs/dbraw/zinc/33/52/13/527335213.db2.gz XXFCSAOFSDPRPD-UHFFFAOYSA-N 0 0 334.748 2.770 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NCCCc1nnc2ccccn21 ZINC000153658446 527336091 /nfs/dbraw/zinc/33/60/91/527336091.db2.gz MBDRIUVZJVATGS-UHFFFAOYSA-N 0 0 332.751 2.731 10 5 EFBERN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cccc3ncccc32)cc1 ZINC000195480008 527350405 /nfs/dbraw/zinc/35/04/05/527350405.db2.gz STUIWMZFLCFCQB-UHFFFAOYSA-N 0 0 343.364 2.622 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000195521150 527362899 /nfs/dbraw/zinc/36/28/99/527362899.db2.gz XBUDXMPWAYUNGV-GFCCVEGCSA-N 0 0 336.329 2.537 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCc3occc32)s1 ZINC000066327603 527377401 /nfs/dbraw/zinc/37/74/01/527377401.db2.gz BADDLUAMMMBVPV-SECBINFHSA-N 0 0 328.371 2.605 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CCC(Cn4cccn4)CC3)nc2c1 ZINC000177057408 527382163 /nfs/dbraw/zinc/38/21/63/527382163.db2.gz UQPGOIHBEAOTIZ-UHFFFAOYSA-N 0 0 341.371 2.845 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000152745111 527387802 /nfs/dbraw/zinc/38/78/02/527387802.db2.gz GSNMNMZYFJPNFS-MRXNPFEDSA-N 0 0 346.408 2.914 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000185780936 527392161 /nfs/dbraw/zinc/39/21/61/527392161.db2.gz XOOJLPSFQDUWEB-XJKSGUPXSA-N 0 0 332.381 2.677 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000185780913 527392988 /nfs/dbraw/zinc/39/29/88/527392988.db2.gz XOOJLPSFQDUWEB-BBRMVZONSA-N 0 0 332.381 2.677 10 5 EFBERN O=C(Cn1cnc2c3ccccc3oc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000121799005 527400573 /nfs/dbraw/zinc/40/05/73/527400573.db2.gz YGEDGGZREDRJFK-UHFFFAOYSA-N 0 0 349.302 2.934 10 5 EFBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](c2nccs2)C1 ZINC000195521851 527403524 /nfs/dbraw/zinc/40/35/24/527403524.db2.gz VJLAJVNHNWXHOA-CQSZACIVSA-N 0 0 335.385 2.504 10 5 EFBERN O=[N+]([O-])c1ccccc1OCCSc1nnnn1-c1ccccc1 ZINC000053316731 527403762 /nfs/dbraw/zinc/40/37/62/527403762.db2.gz FVDOOLCYPJLRLZ-UHFFFAOYSA-N 0 0 343.368 2.742 10 5 EFBERN Cn1cccc1[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178624692 527406557 /nfs/dbraw/zinc/40/65/57/527406557.db2.gz KHAKXBDNGBFDII-INIZCTEOSA-N 0 0 349.412 2.600 10 5 EFBERN Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000119372715 527419778 /nfs/dbraw/zinc/41/97/78/527419778.db2.gz RLFNVNPHABMFRH-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN Nc1c(C(=O)NC2CCN(c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000129312178 527426204 /nfs/dbraw/zinc/42/62/04/527426204.db2.gz WOYVYKGYMNXLGI-UHFFFAOYSA-N 0 0 346.412 2.637 10 5 EFBERN O=c1[nH]cnc2cc(NCCC[C@H]3CCCC[C@H]3O)c([N+](=O)[O-])cc12 ZINC000154476839 527445865 /nfs/dbraw/zinc/44/58/65/527445865.db2.gz SZDVNVRMSPDSTJ-BDJLRTHQSA-N 0 0 346.387 2.575 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(c2cccs2)CC1 ZINC000181181842 527521025 /nfs/dbraw/zinc/52/10/25/527521025.db2.gz NFDXHDFJTQIXBO-UHFFFAOYSA-N 0 0 346.412 2.637 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(C)n1C1CC1 ZINC000184224891 527526871 /nfs/dbraw/zinc/52/68/71/527526871.db2.gz SQCUTGPGIAXAGV-PKNBQFBNSA-N 0 0 341.371 2.549 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(C)nn(C)c1C ZINC000184323961 527527832 /nfs/dbraw/zinc/52/78/32/527527832.db2.gz RYMIEPUKFGMQDD-PKNBQFBNSA-N 0 0 328.372 2.665 10 5 EFBERN O=C(NC1CCN(c2ccccn2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000121205458 527536446 /nfs/dbraw/zinc/53/64/46/527536446.db2.gz WMEGSRDKFKEOBL-UHFFFAOYSA-N 0 0 344.346 2.528 10 5 EFBERN Cc1nn(C)c(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000098100125 527599366 /nfs/dbraw/zinc/59/93/66/527599366.db2.gz QHJDMVKRKIEJQW-CQSZACIVSA-N 0 0 346.362 2.623 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194758945 527642077 /nfs/dbraw/zinc/64/20/77/527642077.db2.gz JRWNMYKFGIFHLC-LLVKDONJSA-N 0 0 330.388 2.615 10 5 EFBERN O=C(NCCCNc1ccccn1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000118725157 527678272 /nfs/dbraw/zinc/67/82/72/527678272.db2.gz FHLMKJBFFCYVLH-UHFFFAOYSA-N 0 0 339.355 2.703 10 5 EFBERN CC(C)CC[C@@](C)(O)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000175055550 527830671 /nfs/dbraw/zinc/83/06/71/527830671.db2.gz RPRVZFBYMKZKEL-QGZVFWFLSA-N 0 0 338.404 2.667 10 5 EFBERN CC(C)CC[C@](C)(O)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000175055531 527860986 /nfs/dbraw/zinc/86/09/86/527860986.db2.gz RPRVZFBYMKZKEL-KRWDZBQOSA-N 0 0 338.404 2.667 10 5 EFBERN CC(C)c1ccc(C(=O)NCc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000188080933 528074170 /nfs/dbraw/zinc/07/41/70/528074170.db2.gz MHJSIBXVXFXDKL-UHFFFAOYSA-N 0 0 339.355 2.691 10 5 EFBERN CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178634273 528408039 /nfs/dbraw/zinc/40/80/39/528408039.db2.gz BQOBPNASPZXMHM-GFCCVEGCSA-N 0 0 326.418 2.934 10 5 EFBERN CC(C)C[C@H](CO)N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000186649084 528537797 /nfs/dbraw/zinc/53/77/97/528537797.db2.gz KBPIIBOJJNAADC-MRXNPFEDSA-N 0 0 337.420 2.652 10 5 EFBERN CCOC(=O)C1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000184783038 528632138 /nfs/dbraw/zinc/63/21/38/528632138.db2.gz HYKDXICJXVJXKR-OUKQBFOZSA-N 0 0 346.383 2.800 10 5 EFBERN CCOc1cccc(N[C@@H]2CCCN(c3ncccn3)C2)c1[N+](=O)[O-] ZINC000184062122 528675590 /nfs/dbraw/zinc/67/55/90/528675590.db2.gz BQWDLHMUJAXXOR-CYBMUJFWSA-N 0 0 343.387 2.864 10 5 EFBERN CC1(C)CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000189663010 529021923 /nfs/dbraw/zinc/02/19/23/529021923.db2.gz UBZZKAMMHXTOCX-LBPRGKRZSA-N 0 0 326.780 2.865 10 5 EFBERN CCC1(CC)CN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC[S@@]1=O ZINC000183865082 529078221 /nfs/dbraw/zinc/07/82/21/529078221.db2.gz WSQDMTOXWLTPPN-HSZRJFAPSA-N 0 0 338.429 2.667 10 5 EFBERN CCS[C@H]1CCC[C@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191654466 529230678 /nfs/dbraw/zinc/23/06/78/529230678.db2.gz LURQJKVMDOJIIC-QWRGUYRKSA-N 0 0 326.422 2.605 10 5 EFBERN CC1(C)C[C@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266508890 534923819 /nfs/dbraw/zinc/92/38/19/534923819.db2.gz MQOOKHSYXSXWRK-OAHLLOKOSA-N 0 0 333.388 2.946 10 5 EFBERN CC(C)c1nn(C)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000435071654 534941725 /nfs/dbraw/zinc/94/17/25/534941725.db2.gz AFIPPSILSPJOHF-UHFFFAOYSA-N 0 0 331.376 2.816 10 5 EFBERN CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)OC(C)(C)C ZINC000349013606 535053890 /nfs/dbraw/zinc/05/38/90/535053890.db2.gz PEMXSSVSWDAOFG-NSHDSACASA-N 0 0 339.392 2.564 10 5 EFBERN CC(C)Oc1cccnc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000344076730 535064908 /nfs/dbraw/zinc/06/49/08/535064908.db2.gz MSYUWAPHUYHJSL-UHFFFAOYSA-N 0 0 329.356 2.750 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)c1ccnn1C ZINC000421446232 535093492 /nfs/dbraw/zinc/09/34/92/535093492.db2.gz QEYQQBVAPOTFGA-ZDUSSCGKSA-N 0 0 330.388 2.869 10 5 EFBERN CC(C)(C)[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000344006673 535097536 /nfs/dbraw/zinc/09/75/36/535097536.db2.gz HBGDYUDICYWPLQ-ZDUSSCGKSA-N 0 0 326.418 2.793 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000356741513 535117849 /nfs/dbraw/zinc/11/78/49/535117849.db2.gz VIBAVNKZIKROLW-UHFFFAOYSA-N 0 0 347.293 2.509 10 5 EFBERN CCCCc1noc([C@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000347811200 535128429 /nfs/dbraw/zinc/12/84/29/535128429.db2.gz KJQIZWHUQRTNAZ-NSHDSACASA-N 0 0 331.376 2.835 10 5 EFBERN CC(C)N1C(=O)CN(c2nc3ccccc3cc2[N+](=O)[O-])CC1(C)C ZINC000352360407 535129758 /nfs/dbraw/zinc/12/97/58/535129758.db2.gz NESFIAIZFLGBBC-UHFFFAOYSA-N 0 0 342.399 2.979 10 5 EFBERN CCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000356041077 535212963 /nfs/dbraw/zinc/21/29/63/535212963.db2.gz PLHUGQIZTBGOCN-OAHLLOKOSA-N 0 0 343.387 2.503 10 5 EFBERN CC(C)(NC(=O)C[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000362947676 535222771 /nfs/dbraw/zinc/22/27/71/535222771.db2.gz BZUVPCZPGVWAQK-QGZVFWFLSA-N 0 0 342.395 2.940 10 5 EFBERN CC(C)[C@@](C)(CO)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427354764 535309463 /nfs/dbraw/zinc/30/94/63/535309463.db2.gz MTDUDFICOZJVIP-MRXNPFEDSA-N 0 0 349.412 2.855 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCCC[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000434358977 535322223 /nfs/dbraw/zinc/32/22/23/535322223.db2.gz JKEOQROGRZLQJP-VXGBXAGGSA-N 0 0 338.408 2.502 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCCC[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000434358975 535322248 /nfs/dbraw/zinc/32/22/48/535322248.db2.gz JKEOQROGRZLQJP-NWDGAFQWSA-N 0 0 338.408 2.502 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NC[C@H]2CC23CCSCC3)c1[N+](=O)[O-] ZINC000421915663 535322597 /nfs/dbraw/zinc/32/25/97/535322597.db2.gz NDILVUWEGIETQZ-SNVBAGLBSA-N 0 0 338.433 2.704 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2n[nH]c3cc(F)ccc32)c1[N+](=O)[O-] ZINC000356841444 535324336 /nfs/dbraw/zinc/32/43/36/535324336.db2.gz QKGYWWUDSAOLJE-UHFFFAOYSA-N 0 0 332.295 2.709 10 5 EFBERN CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000229723485 535371920 /nfs/dbraw/zinc/37/19/20/535371920.db2.gz WSRPVXWYCYEVRX-OAGGEKHMSA-N 0 0 332.400 2.983 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cc(C)no1 ZINC000351682390 535429235 /nfs/dbraw/zinc/42/92/35/535429235.db2.gz HTYQFOHZUOFKQU-UHFFFAOYSA-N 0 0 334.332 2.654 10 5 EFBERN CCCn1c2ccccc2nc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191457900 535594851 /nfs/dbraw/zinc/59/48/51/535594851.db2.gz MGPSPOFGNLIYEM-UHFFFAOYSA-N 0 0 342.359 2.823 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412224058 535655914 /nfs/dbraw/zinc/65/59/14/535655914.db2.gz UTDYWTLFOSJUKJ-BYCMXARLSA-N 0 0 334.372 2.546 10 5 EFBERN CCOC(=O)c1c(C)onc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352115703 535673517 /nfs/dbraw/zinc/67/35/17/535673517.db2.gz NPXXCJHRTUJCRL-UHFFFAOYSA-N 0 0 347.371 2.742 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C(=O)OC ZINC000342387711 535799642 /nfs/dbraw/zinc/79/96/42/535799642.db2.gz WTZPWUNFIPGMMN-GFCCVEGCSA-N 0 0 340.401 2.777 10 5 EFBERN CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC000348101416 535865616 /nfs/dbraw/zinc/86/56/16/535865616.db2.gz ACNSXIXBLDZUDM-NSHDSACASA-N 0 0 336.266 2.683 10 5 EFBERN CC[C@H](NC(=O)c1ccc2nc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000355728166 535882417 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CCCOc1ccc(CCC(=O)Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC001128217189 1263780288 /nfs/dbraw/zinc/78/02/88/1263780288.db2.gz TXFQWBVHTHKWFC-UHFFFAOYSA-N 0 0 332.360 2.688 10 5 EFBERN Cc1cc(C(=O)Nc2c([N+](=O)[O-])cnn2C)c2ccc(F)cc2n1 ZINC001128221718 1263831552 /nfs/dbraw/zinc/83/15/52/1263831552.db2.gz KMZAYIWTDZNFLS-UHFFFAOYSA-N 0 0 329.291 2.576 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COC(=O)C(F)(F)C1CCOCC1 ZINC000791603369 1278210799 /nfs/dbraw/zinc/21/07/99/1278210799.db2.gz NDUAWQRVIWZQFF-UHFFFAOYSA-N 0 0 345.298 2.709 10 5 EFBERN C[C@@H]1CC[C@H](CO)N1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000921999739 1264077025 /nfs/dbraw/zinc/07/70/25/1264077025.db2.gz HSGHHDBBSKKCHI-LDYMZIIASA-N 0 0 332.278 2.599 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c2c(ccc1F)OCO2 ZINC001128295366 1264177498 /nfs/dbraw/zinc/17/74/98/1264177498.db2.gz OXJJGJKBROGQCZ-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN Nc1c(C(=O)NC[C@H]2CCC[C@H](O)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001136915548 1278220405 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EFBERN COc1ccc(COC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cn1 ZINC000791689512 1278271801 /nfs/dbraw/zinc/27/18/01/1278271801.db2.gz RRIWJMHOIBDDRU-UHFFFAOYSA-N 0 0 332.312 2.672 10 5 EFBERN CC(=O)NCCCCCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000922753837 1266736532 /nfs/dbraw/zinc/73/65/32/1266736532.db2.gz KMUZEMRKDGDJJM-UHFFFAOYSA-N 0 0 336.388 2.722 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H](C2CCOCC2)C1 ZINC000922783819 1266781458 /nfs/dbraw/zinc/78/14/58/1266781458.db2.gz UNALUAGWBQLHAM-AWEZNQCLSA-N 0 0 347.415 2.846 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2ccnc(F)c2)CC1 ZINC000824805677 1278292602 /nfs/dbraw/zinc/29/26/02/1278292602.db2.gz NWPRLERZRRQUJN-UHFFFAOYSA-N 0 0 330.363 2.760 10 5 EFBERN CCc1[nH]n(C)c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c1-2 ZINC000734558101 1267017068 /nfs/dbraw/zinc/01/70/68/1267017068.db2.gz OSQBEHMHRKSDRY-UHFFFAOYSA-N 0 0 348.750 2.673 10 5 EFBERN CC(C)(C)C1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000734829316 1267122845 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QWTBLAJOESSGNJ-CQSZACIVSA-N 0 0 335.314 2.542 10 5 EFBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000844759010 1279228146 /nfs/dbraw/zinc/22/81/46/1279228146.db2.gz ORTBHYHEUSJCOH-AWEZNQCLSA-N 0 0 348.403 2.954 10 5 EFBERN C[C@]1(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@]1(F)Cl ZINC000844804205 1279266224 /nfs/dbraw/zinc/26/62/24/1279266224.db2.gz CPLGZKWLOJMAHM-UONOGXRCSA-N 0 0 344.726 2.758 10 5 EFBERN C[C@@]1(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@]1(F)Cl ZINC000844805166 1279266609 /nfs/dbraw/zinc/26/66/09/1279266609.db2.gz QLZCYHOAGPWNBK-KGLIPLIRSA-N 0 0 340.742 2.906 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000792982692 1279315078 /nfs/dbraw/zinc/31/50/78/1279315078.db2.gz FWNMNICFNWMNOX-LBPRGKRZSA-N 0 0 340.376 2.558 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000844918327 1279338618 /nfs/dbraw/zinc/33/86/18/1279338618.db2.gz SXCFYVMFPWBJOU-JTQLQIEISA-N 0 0 349.343 2.595 10 5 EFBERN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC000844931259 1279349088 /nfs/dbraw/zinc/34/90/88/1279349088.db2.gz CKXGHJXJFGCOPJ-FZKQIMNGSA-N 0 0 343.383 2.690 10 5 EFBERN C[C@H]1C[C@H](C)N1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793069615 1279353835 /nfs/dbraw/zinc/35/38/35/1279353835.db2.gz SCYIDSYJKIYRDU-QWRGUYRKSA-N 0 0 333.388 2.840 10 5 EFBERN CC(C)(C(=O)NCc1cn(C2CCC2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC001144297746 1279384717 /nfs/dbraw/zinc/38/47/17/1279384717.db2.gz KPBQWBQZOCRBAW-UHFFFAOYSA-N 0 0 343.387 2.505 10 5 EFBERN COc1c[nH]nc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001144329799 1279438344 /nfs/dbraw/zinc/43/83/44/1279438344.db2.gz UPYVNFJCLPBQPC-UHFFFAOYSA-N 0 0 345.340 2.702 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)c2ccn(C(C)C)n2)c1 ZINC000845117148 1279444473 /nfs/dbraw/zinc/44/44/73/1279444473.db2.gz UGWGXZHKVHHTRG-UHFFFAOYSA-N 0 0 347.327 2.516 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CN(C2CC2)C(=O)O1 ZINC000845144710 1279461216 /nfs/dbraw/zinc/46/12/16/1279461216.db2.gz PQQQFDWYVATFCV-KUCQQTCKSA-N 0 0 346.339 2.525 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C2(F)CCCC2)c1 ZINC000845150630 1279464767 /nfs/dbraw/zinc/46/47/67/1279464767.db2.gz VSCMFGIOHJAFMN-UHFFFAOYSA-N 0 0 325.292 2.707 10 5 EFBERN CC(C)c1ccc(C(=O)OC[C@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000845150186 1279464917 /nfs/dbraw/zinc/46/49/17/1279464917.db2.gz BWVOISUQNYITPS-CYBMUJFWSA-N 0 0 348.355 2.858 10 5 EFBERN CCc1nc(C(=O)OCc2cc(C(=O)OC)ccc2[N+](=O)[O-])c(C)o1 ZINC000845165470 1279471587 /nfs/dbraw/zinc/47/15/87/1279471587.db2.gz ORUFBHXIVAJQDI-UHFFFAOYSA-N 0 0 348.311 2.597 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)c2conc2C2CC2)c1 ZINC000845171009 1279472762 /nfs/dbraw/zinc/47/27/62/1279472762.db2.gz VWJAZKZYHZCNKE-UHFFFAOYSA-N 0 0 346.295 2.604 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000845172052 1279473892 /nfs/dbraw/zinc/47/38/92/1279473892.db2.gz JXKVCQWAGLNLEE-SUNKGSAMSA-N 0 0 333.340 2.861 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000845172050 1279474136 /nfs/dbraw/zinc/47/41/36/1279474136.db2.gz JXKVCQWAGLNLEE-COPLHBTASA-N 0 0 333.340 2.861 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000845178443 1279475158 /nfs/dbraw/zinc/47/51/58/1279475158.db2.gz SECPPZPPKAZSON-RAIGVLPGSA-N 0 0 333.340 2.861 10 5 EFBERN CC(C)(C(=O)OCCCCc1nccs1)n1cc([N+](=O)[O-])cn1 ZINC000793368621 1279580299 /nfs/dbraw/zinc/58/02/99/1279580299.db2.gz YDOURIVPGFCTHU-UHFFFAOYSA-N 0 0 338.389 2.549 10 5 EFBERN CCc1cc(CCCOC(=O)CN(C)c2ccccc2[N+](=O)[O-])on1 ZINC000793447227 1279657900 /nfs/dbraw/zinc/65/79/00/1279657900.db2.gz BBYVWJVFUWVBSM-UHFFFAOYSA-N 0 0 347.371 2.757 10 5 EFBERN COC(=O)N1CCC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000845481324 1279693624 /nfs/dbraw/zinc/69/36/24/1279693624.db2.gz ASONOEFMOLQKRD-NSHDSACASA-N 0 0 330.344 2.786 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(N[C@H](C3CC3)C3CCOCC3)cc2N1 ZINC000845659219 1279771335 /nfs/dbraw/zinc/77/13/35/1279771335.db2.gz JMOKGLJZFYVGMC-QGZVFWFLSA-N 0 0 347.371 2.543 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@]2(CC2(F)F)C1 ZINC000845742393 1279811428 /nfs/dbraw/zinc/81/14/28/1279811428.db2.gz LPIOIDCRTCKPKE-AWEZNQCLSA-N 0 0 325.315 2.580 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000845742724 1279812931 /nfs/dbraw/zinc/81/29/31/1279812931.db2.gz NBQKZJFEHBQRMV-AWEZNQCLSA-N 0 0 341.314 2.710 10 5 EFBERN O=C1C2=C(CNN1c1cc([N+](=O)[O-])ccc1Br)C2(F)F ZINC000871958276 1287376276 /nfs/dbraw/zinc/37/62/76/1287376276.db2.gz BIXHJGVDHULJIL-HZGVNTEJSA-N 0 0 346.087 2.571 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1[C@@H]1CCOC1 ZINC000888592551 1287386274 /nfs/dbraw/zinc/38/62/74/1287386274.db2.gz DHLKXCJUDJKYHP-KUGGDMIFSA-N 0 0 342.355 2.795 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1[C@H]1CCOC1 ZINC000888592553 1287386441 /nfs/dbraw/zinc/38/64/41/1287386441.db2.gz DHLKXCJUDJKYHP-WQTVUKCASA-N 0 0 342.355 2.795 10 5 EFBERN C/C(=C/C(=O)NC[C@H](C)N1CCCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000793933428 1279950069 /nfs/dbraw/zinc/95/00/69/1279950069.db2.gz UPIPWTOAPJUSRB-FZDNWWAKSA-N 0 0 345.399 2.515 10 5 EFBERN C[C@@]1(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000845974969 1279952311 /nfs/dbraw/zinc/95/23/11/1279952311.db2.gz NRLZDRGGWVIZOA-NXEZZACHSA-N 0 0 342.801 2.639 10 5 EFBERN C[C@]1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@]1(F)Cl ZINC000845980887 1279956341 /nfs/dbraw/zinc/95/63/41/1279956341.db2.gz MMPVNBLSPOKGPN-UWVGGRQHSA-N 0 0 342.801 2.639 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC23CCCC3)cc([N+](=O)[O-])c1F ZINC000845961409 1279965546 /nfs/dbraw/zinc/96/55/46/1279965546.db2.gz RFLVTNYEFBKVFT-UHFFFAOYSA-N 0 0 328.365 2.750 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC12CCCC2 ZINC000845962897 1279966645 /nfs/dbraw/zinc/96/66/45/1279966645.db2.gz ZDPOXVKFNAOWKW-UHFFFAOYSA-N 0 0 330.793 2.955 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC000846020414 1279982174 /nfs/dbraw/zinc/98/21/74/1279982174.db2.gz HKCLXBKUCYYAOU-ZDUSSCGKSA-N 0 0 346.355 2.546 10 5 EFBERN CCOC(=O)[C@H](C)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000747174431 1280005655 /nfs/dbraw/zinc/00/56/55/1280005655.db2.gz XLUJNTLSHQOXCS-GHMZBOCLSA-N 0 0 341.385 2.818 10 5 EFBERN CCOC(=O)[C@@H](C)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000747174434 1280006022 /nfs/dbraw/zinc/00/60/22/1280006022.db2.gz XLUJNTLSHQOXCS-QWRGUYRKSA-N 0 0 341.385 2.818 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846329907 1280100887 /nfs/dbraw/zinc/10/08/87/1280100887.db2.gz HEEMETAWTFIBOR-QMTHXVAHSA-N 0 0 349.387 2.512 10 5 EFBERN Cc1cnc([C@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000794262777 1280123818 /nfs/dbraw/zinc/12/38/18/1280123818.db2.gz ZEZNOBCIFUVKLY-AWEZNQCLSA-N 0 0 327.388 2.576 10 5 EFBERN Cn1nccc1CC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815238470 1287399056 /nfs/dbraw/zinc/39/90/56/1287399056.db2.gz AUAYBGYUWMIIID-UHFFFAOYSA-N 0 0 343.261 2.633 10 5 EFBERN CCC[C@H](C)[C@H](CO)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846361792 1280134872 /nfs/dbraw/zinc/13/48/72/1280134872.db2.gz QYYZSFVTOPXEAE-ZANVPECISA-N 0 0 346.786 2.843 10 5 EFBERN Cc1cc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)cc([N+](=O)[O-])c1 ZINC001144792553 1280136932 /nfs/dbraw/zinc/13/69/32/1280136932.db2.gz IMQJVRCRMKGQJP-MEDUHNTESA-N 0 0 332.331 2.894 10 5 EFBERN C[C@@]1(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@]1(F)Cl ZINC000846402789 1280146208 /nfs/dbraw/zinc/14/62/08/1280146208.db2.gz DXVJULRPXLSLCD-CHWSQXEVSA-N 0 0 333.722 2.751 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)[C@@](C)(O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000846408267 1280155506 /nfs/dbraw/zinc/15/55/06/1280155506.db2.gz KPYAQASKJAGYRV-SCLBCKFNSA-N 0 0 328.368 2.929 10 5 EFBERN COc1ccc(C(=O)N[C@@H](C)[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846419020 1280159867 /nfs/dbraw/zinc/15/98/67/1280159867.db2.gz DCURNYGJMJTRSH-KPZWWZAWSA-N 0 0 344.367 2.629 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@](C)(O)c1ccccc1 ZINC000846419932 1280160868 /nfs/dbraw/zinc/16/08/68/1280160868.db2.gz DSXNLKCOBGBMJU-FZKQIMNGSA-N 0 0 328.368 2.550 10 5 EFBERN Cc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cnc1C(F)(F)F ZINC001149148762 1280161454 /nfs/dbraw/zinc/16/14/54/1280161454.db2.gz MJOVAZDIXJWQJP-UHFFFAOYSA-N 0 0 342.233 2.670 10 5 EFBERN O=C(NOCC(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000794382404 1280164818 /nfs/dbraw/zinc/16/48/18/1280164818.db2.gz LTLGFPRDLYPGGO-UHFFFAOYSA-N 0 0 340.080 2.676 10 5 EFBERN C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044830 1287409616 /nfs/dbraw/zinc/40/96/16/1287409616.db2.gz FZAAWRRVINUXHO-SNVBAGLBSA-N 0 0 332.397 2.598 10 5 EFBERN Cc1ccc(N2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1Br ZINC000804605245 1280310040 /nfs/dbraw/zinc/31/00/40/1280310040.db2.gz DJNHDOXSJNTUAR-NXEZZACHSA-N 0 0 329.194 2.873 10 5 EFBERN CNc1ccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846573103 1280270511 /nfs/dbraw/zinc/27/05/11/1280270511.db2.gz RHQOXQBFUQRMQG-CQSZACIVSA-N 0 0 325.315 2.898 10 5 EFBERN CNc1ccc(C(=O)N2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846573102 1280271473 /nfs/dbraw/zinc/27/14/73/1280271473.db2.gz RHQOXQBFUQRMQG-AWEZNQCLSA-N 0 0 325.315 2.898 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C)C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000804549406 1280272117 /nfs/dbraw/zinc/27/21/17/1280272117.db2.gz CTSQAIVRBORUPZ-CMPLNLGQSA-N 0 0 349.343 2.602 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000846577641 1280274961 /nfs/dbraw/zinc/27/49/61/1280274961.db2.gz DKNZVBGSURGLFZ-CYBMUJFWSA-N 0 0 328.319 2.703 10 5 EFBERN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045828 1287410691 /nfs/dbraw/zinc/41/06/91/1287410691.db2.gz RQQNTHLMISYHPU-WCBMZHEXSA-N 0 0 349.284 2.548 10 5 EFBERN C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000804561294 1280284604 /nfs/dbraw/zinc/28/46/04/1280284604.db2.gz ZTRKQYBKIWLJRJ-HWPZZCPQSA-N 0 0 349.362 2.733 10 5 EFBERN Cc1cc(OCC(=O)NCc2nc(C(C)(C)C)co2)ccc1[N+](=O)[O-] ZINC001134949719 1287411736 /nfs/dbraw/zinc/41/17/36/1287411736.db2.gz UVBHFFLTTSNUGZ-UHFFFAOYSA-N 0 0 347.371 2.884 10 5 EFBERN Cc1cc(OCC(=O)N2CCC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000846580682 1280300442 /nfs/dbraw/zinc/30/04/42/1280300442.db2.gz AZZKWPSKJGKRQX-OAHLLOKOSA-N 0 0 340.326 2.930 10 5 EFBERN COC[C@H](CNc1ccc(C)c(Br)c1[N+](=O)[O-])OC ZINC000804606506 1280310898 /nfs/dbraw/zinc/31/08/98/1280310898.db2.gz QJDBCWKSJXWILH-VIFPVBQESA-N 0 0 333.182 2.739 10 5 EFBERN C[C@@H](Nc1ccc(N(C)CCO)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054822 1287413392 /nfs/dbraw/zinc/41/33/92/1287413392.db2.gz BYDHEEUFESJFBE-LLVKDONJSA-N 0 0 334.351 2.731 10 5 EFBERN Cc1cc(Cl)c(C(=O)N2CCC(C3(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000846660151 1280373494 /nfs/dbraw/zinc/37/34/94/1280373494.db2.gz SSYOEAVLDSVIPL-UHFFFAOYSA-N 0 0 338.791 2.934 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000747221008 1280390789 /nfs/dbraw/zinc/39/07/89/1280390789.db2.gz VDOCBZRVERZIDS-MNOVXSKESA-N 0 0 339.367 2.801 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnc(C(F)(F)F)nc1 ZINC001129998737 1280394737 /nfs/dbraw/zinc/39/47/37/1280394737.db2.gz SHTLTZVNLDBSRI-UHFFFAOYSA-N 0 0 340.261 2.975 10 5 EFBERN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000804932950 1280411809 /nfs/dbraw/zinc/41/18/09/1280411809.db2.gz PZOANBRLBVVBKE-UHFFFAOYSA-N 0 0 348.258 2.776 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)n1 ZINC001130102884 1280465812 /nfs/dbraw/zinc/46/58/12/1280465812.db2.gz NZFOUUPTNNLBKU-JTQLQIEISA-N 0 0 325.328 2.666 10 5 EFBERN Nc1c(NC(=O)NC[C@H]2CCC=CO2)cc(Cl)cc1[N+](=O)[O-] ZINC000825574808 1287424184 /nfs/dbraw/zinc/42/41/84/1287424184.db2.gz ARFGLVKTVYNQKK-SECBINFHSA-N 0 0 326.740 2.645 10 5 EFBERN Cn1nnc2cc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc21 ZINC001130108106 1280469952 /nfs/dbraw/zinc/46/99/52/1280469952.db2.gz FOCJXTKOERGLLV-UHFFFAOYSA-N 0 0 348.322 2.677 10 5 EFBERN C[C@H](NCC[S@](=O)CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872085880 1287424490 /nfs/dbraw/zinc/42/44/90/1287424490.db2.gz RNSRSYPCMFDDOO-ZCAPAMDOSA-N 0 0 342.314 2.696 10 5 EFBERN C[C@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872086091 1287424504 /nfs/dbraw/zinc/42/45/04/1287424504.db2.gz UIHQDXCZCIMHTG-SMDDNHRTSA-N 0 0 343.358 2.972 10 5 EFBERN C[C@H](NC[C@@H](n1cncn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091821 1287426131 /nfs/dbraw/zinc/42/61/31/1287426131.db2.gz KJJVUCSFTYFUEG-GZMMTYOYSA-N 0 0 347.272 2.780 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Cl)ccc1OC(F)F ZINC001130160241 1280520035 /nfs/dbraw/zinc/52/00/35/1280520035.db2.gz XDOAKIFOFWCQBW-UHFFFAOYSA-N 0 0 346.677 2.685 10 5 EFBERN C[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@H](C)C1 ZINC001130148664 1280528441 /nfs/dbraw/zinc/52/84/41/1280528441.db2.gz IFKJEXSKHGWMKS-XHBSWPGZSA-N 0 0 331.372 2.735 10 5 EFBERN Nc1c(NC(=O)NCCCCCCO)cc(Cl)cc1[N+](=O)[O-] ZINC000825575961 1287428707 /nfs/dbraw/zinc/42/87/07/1287428707.db2.gz UTIJUQPGPZKDCV-UHFFFAOYSA-N 0 0 330.772 2.505 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccnc1F ZINC000805402858 1280536225 /nfs/dbraw/zinc/53/62/25/1280536225.db2.gz GBXHYLOAIOTXKT-UHFFFAOYSA-N 0 0 332.335 2.513 10 5 EFBERN COc1ccc(C(=O)Nc2cnc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC001130193630 1280562166 /nfs/dbraw/zinc/56/21/66/1280562166.db2.gz IVKKXKJPMPCUKK-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN CC(=CC(=O)OCC(=O)c1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000805528768 1280606562 /nfs/dbraw/zinc/60/65/62/1280606562.db2.gz OWJBKGGDDCWYBD-UXBLZVDNSA-N 0 0 332.337 2.881 10 5 EFBERN Cc1c(C(=O)N[C@H](C)C(=O)OCc2ccccc2)cccc1[N+](=O)[O-] ZINC001130289573 1280657455 /nfs/dbraw/zinc/65/74/55/1280657455.db2.gz LSVYGRWVDWMNMN-CYBMUJFWSA-N 0 0 342.351 2.765 10 5 EFBERN COc1cc(COC(=O)c2ccc3oc(=O)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000805656164 1280686531 /nfs/dbraw/zinc/68/65/31/1280686531.db2.gz UATDQPUTGZJRLD-UHFFFAOYSA-N 0 0 344.279 2.807 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)nnn2C ZINC001130311829 1280687996 /nfs/dbraw/zinc/68/79/96/1280687996.db2.gz QFWROFBLNSRDOI-UHFFFAOYSA-N 0 0 343.368 2.851 10 5 EFBERN COc1ccc(COC(=O)C[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000805725502 1280744592 /nfs/dbraw/zinc/74/45/92/1280744592.db2.gz DTIYWJAONMFXBC-GFCCVEGCSA-N 0 0 325.361 2.834 10 5 EFBERN CC(C)(C)C[C@H](O)CC(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000805728368 1280747149 /nfs/dbraw/zinc/74/71/49/1280747149.db2.gz HDZCHISFBKFFAE-CYBMUJFWSA-N 0 0 325.361 2.704 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1COC(=O)C[C@@H](O)CC(C)(C)C ZINC000805729892 1280749791 /nfs/dbraw/zinc/74/97/91/1280749791.db2.gz VTAMPCFWNCSFSN-CYBMUJFWSA-N 0 0 325.361 2.834 10 5 EFBERN Cn1ccc(NC(=O)c2cc3ccccc3c3cccnc23)nc1=O ZINC001130354053 1280752042 /nfs/dbraw/zinc/75/20/42/1280752042.db2.gz BKDIBKISJZQBFB-UHFFFAOYSA-N 0 0 330.347 2.568 10 5 EFBERN O=C(Nc1cccnc1F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001130374940 1280765514 /nfs/dbraw/zinc/76/55/14/1280765514.db2.gz DVTIWPRTCSJBJX-UHFFFAOYSA-N 0 0 333.275 2.543 10 5 EFBERN C[C@@H](OCC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])c1nccn1C ZINC000805867983 1280828931 /nfs/dbraw/zinc/82/89/31/1280828931.db2.gz VULFLAMCPRAPEC-SECBINFHSA-N 0 0 339.735 2.665 10 5 EFBERN O=C(Cc1ccc(F)cn1)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000805896788 1280854686 /nfs/dbraw/zinc/85/46/86/1280854686.db2.gz LUXBSPWLMXATQW-UONOGXRCSA-N 0 0 348.334 2.595 10 5 EFBERN CCn1cc(CN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C(C)C)cn1 ZINC001130454323 1280921012 /nfs/dbraw/zinc/92/10/12/1280921012.db2.gz AQPDMPQTVXOJAH-UHFFFAOYSA-N 0 0 331.376 2.565 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1conc1C ZINC001130575076 1281023375 /nfs/dbraw/zinc/02/33/75/1281023375.db2.gz HLDXDPTWMKEQGQ-UHFFFAOYSA-N 0 0 337.357 2.882 10 5 EFBERN Cc1c(C(=O)N(C)Cc2ccc[nH]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000747318574 1281034956 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332.356 2.901 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2nc(C(F)(F)F)cs2)n1 ZINC001147758020 1281249284 /nfs/dbraw/zinc/24/92/84/1281249284.db2.gz OCQFMJKUMKDTQR-UHFFFAOYSA-N 0 0 346.290 2.704 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2nccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC001147740803 1281259228 /nfs/dbraw/zinc/25/92/28/1281259228.db2.gz JXFLADBFGMJXJD-UHFFFAOYSA-N 0 0 331.719 2.959 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC001147746485 1281263094 /nfs/dbraw/zinc/26/30/94/1281263094.db2.gz MZODSICTPBZIKF-UHFFFAOYSA-N 0 0 341.367 2.816 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(OC3CC3)c2F)n1 ZINC001130899405 1281272441 /nfs/dbraw/zinc/27/24/41/1281272441.db2.gz IIEAWRUJLXIICR-UHFFFAOYSA-N 0 0 345.330 2.909 10 5 EFBERN COC1CC(CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001130904446 1281279874 /nfs/dbraw/zinc/27/98/74/1281279874.db2.gz MNUIHPSFMJYBBO-UHFFFAOYSA-N 0 0 343.383 2.875 10 5 EFBERN COC(=O)c1ccc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000815404059 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EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)CCOC2 ZINC001131051603 1281427709 /nfs/dbraw/zinc/42/77/09/1281427709.db2.gz KURFXMWUDQTQJK-UHFFFAOYSA-N 0 0 344.279 2.795 10 5 EFBERN O=C([C@H]1CCCc2nn[nH]c21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001148159770 1281437705 /nfs/dbraw/zinc/43/77/05/1281437705.db2.gz ITOQMZIEZMTINS-ZDUSSCGKSA-N 0 0 341.371 2.502 10 5 EFBERN O=C([C@@H]1CCCc2nn[nH]c21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001148159769 1281438449 /nfs/dbraw/zinc/43/84/49/1281438449.db2.gz ITOQMZIEZMTINS-CYBMUJFWSA-N 0 0 341.371 2.502 10 5 EFBERN O=C(NCc1cccc(Cl)c1F)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001148300695 1281484981 /nfs/dbraw/zinc/48/49/81/1281484981.db2.gz PJLCIOHOHZWPED-AWEZNQCLSA-N 0 0 338.722 2.737 10 5 EFBERN O=[N+]([O-])c1cnccc1NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808073845 1281515066 /nfs/dbraw/zinc/51/50/66/1281515066.db2.gz LSNZSDPJOVAMGL-ZDUSSCGKSA-N 0 0 327.262 2.576 10 5 EFBERN COc1cc(CN2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)c([N+](=O)[O-])cc1F ZINC000872261599 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CC(C)(C)OC(=O)N1CCC2(C[C@@H]2Nc2ccncc2[N+](=O)[O-])CC1 ZINC000813616918 1286025502 /nfs/dbraw/zinc/02/55/02/1286025502.db2.gz HFDYYWJHQTXMEG-AWEZNQCLSA-N 0 0 348.403 2.613 10 5 EFBERN O=C(NCCc1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC001133871799 1286055617 /nfs/dbraw/zinc/05/56/17/1286055617.db2.gz XJOWKHIXCPXTMR-UHFFFAOYSA-N 0 0 342.351 2.729 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001133873899 1286059056 /nfs/dbraw/zinc/05/90/56/1286059056.db2.gz PEBVTBHCHDVCAJ-STQMWFEESA-N 0 0 345.380 2.758 10 5 EFBERN CCNc1ccc(C(=O)Nc2n[nH]c(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC001133907324 1286091581 /nfs/dbraw/zinc/09/15/81/1286091581.db2.gz UPUDHLONYDJOKN-UHFFFAOYSA-N 0 0 342.315 2.657 10 5 EFBERN O=C(NCCc1ccnn1-c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC001133901121 1286101896 /nfs/dbraw/zinc/10/18/96/1286101896.db2.gz DDUQYKCMENLVLM-UHFFFAOYSA-N 0 0 342.380 2.815 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc2cnccc2c1 ZINC001133947924 1286158279 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348.403 2.581 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COC(=O)c1nn(C)c(C)c1Cl ZINC000817262994 1288509884 /nfs/dbraw/zinc/50/98/84/1288509884.db2.gz GDYBSJRUXMCOQS-UHFFFAOYSA-N 0 0 339.735 2.656 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)c1ccnn1C ZINC000817262427 1288510523 /nfs/dbraw/zinc/51/05/23/1288510523.db2.gz KYOIDVHJMJSCSO-LLVKDONJSA-N 0 0 333.344 2.574 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)c1ccnn1C ZINC000817262428 1288511177 /nfs/dbraw/zinc/51/11/77/1288511177.db2.gz KYOIDVHJMJSCSO-NSHDSACASA-N 0 0 333.344 2.574 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)c1ccnn1C ZINC000817266828 1288514513 /nfs/dbraw/zinc/51/45/13/1288514513.db2.gz RGFBLDVGRIBEJA-LBPRGKRZSA-N 0 0 347.371 2.962 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)c1ccnn1C ZINC000817266821 1288514576 /nfs/dbraw/zinc/51/45/76/1288514576.db2.gz RGFBLDVGRIBEJA-GFCCVEGCSA-N 0 0 347.371 2.962 10 5 EFBERN Nc1cc(Cl)ccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001135880774 1288543826 /nfs/dbraw/zinc/54/38/26/1288543826.db2.gz ATUFIPYYTBCRMV-UHFFFAOYSA-N 0 0 334.763 2.672 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000817474483 1288626105 /nfs/dbraw/zinc/62/61/05/1288626105.db2.gz SHDBCBSWPSKJPA-DGCLKSJQSA-N 0 0 328.315 2.760 10 5 EFBERN CC[C@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000817474486 1288626230 /nfs/dbraw/zinc/62/62/30/1288626230.db2.gz SHDBCBSWPSKJPA-YPMHNXCESA-N 0 0 328.315 2.760 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc2n(n1)CCC2 ZINC000817480241 1288631247 /nfs/dbraw/zinc/63/12/47/1288631247.db2.gz SMVZGLJTLIXSTR-XFXZXTDPSA-N 0 0 327.340 2.884 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c1[N+](=O)[O-] ZINC001135948035 1288660333 /nfs/dbraw/zinc/66/03/33/1288660333.db2.gz AVLSRHRFYSMMCS-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN CC[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])c3ccncc32)C(=O)N1C1CC1 ZINC000864566053 1302977798 /nfs/dbraw/zinc/97/77/98/1302977798.db2.gz NQDMGUVVVQEOAU-CYBMUJFWSA-N 0 0 340.339 2.853 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC12CCSCC2 ZINC000817620090 1288683922 /nfs/dbraw/zinc/68/39/22/1288683922.db2.gz GEXLCIYXQQHCEF-SECBINFHSA-N 0 0 339.392 2.579 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1cc(F)ccc1OC ZINC001178255168 1288710203 /nfs/dbraw/zinc/71/02/03/1288710203.db2.gz CMYLYXVSHQHTHB-CYBMUJFWSA-N 0 0 348.334 2.601 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1cc(F)ccc1OC ZINC001178255169 1288710582 /nfs/dbraw/zinc/71/05/82/1288710582.db2.gz CMYLYXVSHQHTHB-ZDUSSCGKSA-N 0 0 348.334 2.601 10 5 EFBERN Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000821433792 1288714675 /nfs/dbraw/zinc/71/46/75/1288714675.db2.gz HIUKLVKUYQTSFL-TYDXBBDOSA-N 0 0 348.355 2.509 10 5 EFBERN CC(C)(C)n1cccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1=O ZINC000869978133 1305068576 /nfs/dbraw/zinc/06/85/76/1305068576.db2.gz QFHWPTRFMVVQIU-UHFFFAOYSA-N 0 0 344.367 2.911 10 5 EFBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC(F)(F)OC(F)(F)C1 ZINC001178276852 1288724628 /nfs/dbraw/zinc/72/46/28/1288724628.db2.gz JOAYOZYBFKACAP-UHFFFAOYSA-N 0 0 342.632 2.906 10 5 EFBERN Cc1ccc(C(=O)NC[C@](C)(O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001178260150 1288733535 /nfs/dbraw/zinc/73/35/35/1288733535.db2.gz ISEYKNRHDWSDLR-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN Cc1cccc(C(C)(C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001136469200 1288751694 /nfs/dbraw/zinc/75/16/94/1288751694.db2.gz UBGBFCDYQROCDG-UHFFFAOYSA-N 0 0 328.372 2.588 10 5 EFBERN C[C@@H](C(=O)N1CCC(c2ncon2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001178359050 1288763983 /nfs/dbraw/zinc/76/39/83/1288763983.db2.gz ZNVIYRIVTZHTCB-SNVBAGLBSA-N 0 0 348.334 2.627 10 5 EFBERN CC(C)CN(Cc1ccccn1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001178500113 1288790404 /nfs/dbraw/zinc/79/04/04/1288790404.db2.gz VRTXJRHSCPGUAA-UHFFFAOYSA-N 0 0 328.372 2.870 10 5 EFBERN Cc1ccccc1[C@@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001136500317 1288797213 /nfs/dbraw/zinc/79/72/13/1288797213.db2.gz LLVSWZCMSDGULE-SNVBAGLBSA-N 0 0 334.763 2.909 10 5 EFBERN Cc1ccc(NCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)nc1 ZINC001178603192 1288834274 /nfs/dbraw/zinc/83/42/74/1288834274.db2.gz LOLQWZKZMBIXSM-UHFFFAOYSA-N 0 0 339.355 2.621 10 5 EFBERN CCc1nc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c[nH]1 ZINC001178669324 1288858291 /nfs/dbraw/zinc/85/82/91/1288858291.db2.gz GFGHHMGRBFARGV-UHFFFAOYSA-N 0 0 334.351 2.613 10 5 EFBERN O=C(Nc1cccc(-c2ccon2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001178761181 1288895842 /nfs/dbraw/zinc/89/58/42/1288895842.db2.gz NSXWLHDXQHLLQE-UHFFFAOYSA-N 0 0 326.268 2.603 10 5 EFBERN COc1cn(C)nc1[C@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001178937388 1288974253 /nfs/dbraw/zinc/97/42/53/1288974253.db2.gz RWEIAVUWSGFDKM-NSHDSACASA-N 0 0 346.387 2.951 10 5 EFBERN COc1cn(C)nc1[C@@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001178937387 1288974271 /nfs/dbraw/zinc/97/42/71/1288974271.db2.gz RWEIAVUWSGFDKM-LLVKDONJSA-N 0 0 346.387 2.951 10 5 EFBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cc2c(s1)CCCC2 ZINC001179579401 1289178180 /nfs/dbraw/zinc/17/81/80/1289178180.db2.gz CBRFNRCBDCNKEQ-UHFFFAOYSA-N 0 0 345.380 2.543 10 5 EFBERN Cc1cc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc(Cl)n1 ZINC001165855865 1312692260 /nfs/dbraw/zinc/69/22/60/1312692260.db2.gz CBZBOQYKWAXLDO-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN Cn1ncc(Br)c1CSc1ccc([N+](=O)[O-])cn1 ZINC001165888633 1312698124 /nfs/dbraw/zinc/69/81/24/1312698124.db2.gz DVHGYPBWKZPCAD-UHFFFAOYSA-N 0 0 329.179 2.778 10 5 EFBERN COC(=O)c1ccc2[nH]c(CSc3ccc([N+](=O)[O-])cn3)nc2c1 ZINC001165888997 1312698249 /nfs/dbraw/zinc/69/82/49/1312698249.db2.gz KCNCPSCDUFOEED-UHFFFAOYSA-N 0 0 344.352 2.945 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179874993 1289300924 /nfs/dbraw/zinc/30/09/24/1289300924.db2.gz KCLUETSSECWHDD-JTQLQIEISA-N 0 0 345.403 2.653 10 5 EFBERN Cc1ccc(NC(=O)c2sccc2CN(C)C)c(N)c1[N+](=O)[O-] ZINC001179875189 1289301512 /nfs/dbraw/zinc/30/15/12/1289301512.db2.gz NKTFKYQAZCLSHI-UHFFFAOYSA-N 0 0 334.401 2.861 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c(N)c1[N+](=O)[O-] ZINC001179879795 1289303580 /nfs/dbraw/zinc/30/35/80/1289303580.db2.gz SRJAZZYCWLBDJY-WDEREUQCSA-N 0 0 349.387 2.792 10 5 EFBERN Cc1ccc2nc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)cn2c1 ZINC001179878568 1289303768 /nfs/dbraw/zinc/30/37/68/1289303768.db2.gz AZNQMYQNIWWPDT-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001179878992 1289303915 /nfs/dbraw/zinc/30/39/15/1289303915.db2.gz HKYOGCJLGJUROT-KGLIPLIRSA-N 0 0 341.367 2.854 10 5 EFBERN COC(=O)c1cnc([C@H](C)NCc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000823456873 1289305682 /nfs/dbraw/zinc/30/56/82/1289305682.db2.gz TVYARENZSLTRRU-QMMMGPOBSA-N 0 0 339.348 2.828 10 5 EFBERN CC(=O)c1ccc(OC[C@H]2CCC[C@@]3(CCOC3)O2)c([N+](=O)[O-])c1 ZINC001165896183 1312699979 /nfs/dbraw/zinc/69/99/79/1312699979.db2.gz AMOHPTGDCYAOPO-PBHICJAKSA-N 0 0 335.356 2.904 10 5 EFBERN COC(=O)c1cncc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC001165897173 1312700011 /nfs/dbraw/zinc/70/00/11/1312700011.db2.gz LMJHRIPNSAVJAS-UHFFFAOYSA-N 0 0 330.296 2.558 10 5 EFBERN CC(=O)c1cc(N2CCO[C@@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872750030 1289358714 /nfs/dbraw/zinc/35/87/14/1289358714.db2.gz NERUDHCHJTYWEN-CYBMUJFWSA-N 0 0 332.278 2.955 10 5 EFBERN CCOC(=O)c1cc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)on1 ZINC001165925393 1312705715 /nfs/dbraw/zinc/70/57/15/1312705715.db2.gz HQPQQWOXKVHQRV-UHFFFAOYSA-N 0 0 342.311 2.671 10 5 EFBERN Cc1nn(CCC(=O)Nc2cccnc2C2CC2)c(C)c1[N+](=O)[O-] ZINC001180185453 1289431715 /nfs/dbraw/zinc/43/17/15/1289431715.db2.gz YTAXZKBXLZJWCY-UHFFFAOYSA-N 0 0 329.360 2.709 10 5 EFBERN Cc1cc(Cl)c(C(=O)N(C)CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000823748185 1289436333 /nfs/dbraw/zinc/43/63/33/1289436333.db2.gz UBMKRJDBVJQUGW-UHFFFAOYSA-N 0 0 341.795 2.543 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823962317 1289490967 /nfs/dbraw/zinc/49/09/67/1289490967.db2.gz RLHKTIAGCURYIN-GFCCVEGCSA-N 0 0 336.392 2.848 10 5 EFBERN Nc1ccc(NC(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000823920793 1289493489 /nfs/dbraw/zinc/49/34/89/1289493489.db2.gz CSALXAJBUJMNFK-CYBMUJFWSA-N 0 0 326.303 2.830 10 5 EFBERN Nc1ccc(NC(=O)N[C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000823927267 1289494057 /nfs/dbraw/zinc/49/40/57/1289494057.db2.gz QYUPWVLFKQJYGK-HNNXBMFYSA-N 0 0 334.376 2.504 10 5 EFBERN Nc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000823933388 1289495178 /nfs/dbraw/zinc/49/51/78/1289495178.db2.gz PZCUBAXTGVWPTL-BJJXKVORSA-N 0 0 348.403 2.724 10 5 EFBERN Nc1ccc(NC(=O)N2CC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000823945764 1289496042 /nfs/dbraw/zinc/49/60/42/1289496042.db2.gz WHJJDKMJOGDJAR-LLVKDONJSA-N 0 0 327.344 2.593 10 5 EFBERN CCN(CCc1nccs1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823974086 1289503406 /nfs/dbraw/zinc/50/34/06/1289503406.db2.gz ODQOTLXIMACNQT-UHFFFAOYSA-N 0 0 335.389 2.730 10 5 EFBERN CC(C)(C)OC(=O)NCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000825660472 1289608899 /nfs/dbraw/zinc/60/88/99/1289608899.db2.gz SBORJOFCDDEBCP-UHFFFAOYSA-N 0 0 336.392 2.805 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)c1cc(F)ccc1F ZINC001180937589 1289657661 /nfs/dbraw/zinc/65/76/61/1289657661.db2.gz KIIWTKPROOOHJT-CYBMUJFWSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc([N+](=O)[O-])c1 ZINC001181022241 1289679886 /nfs/dbraw/zinc/67/98/86/1289679886.db2.gz PFTRLGQHCUVTTK-UHFFFAOYSA-N 0 0 349.368 2.527 10 5 EFBERN Cc1cccc(C)c1NC(=O)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001166110068 1312732202 /nfs/dbraw/zinc/73/22/02/1312732202.db2.gz BNEGDVNLSHBQCG-UHFFFAOYSA-N 0 0 341.323 2.758 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000873929374 1290125746 /nfs/dbraw/zinc/12/57/46/1290125746.db2.gz XCXMDUPTZSHMSN-ZIAGYGMSSA-N 0 0 346.383 2.852 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC001166399534 1312771357 /nfs/dbraw/zinc/77/13/57/1312771357.db2.gz LPIYDFFNUIZRLK-LLVKDONJSA-N 0 0 348.330 2.999 10 5 EFBERN CN(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000875078158 1290463774 /nfs/dbraw/zinc/46/37/74/1290463774.db2.gz JJNCAGHBDHJBMR-ZIAGYGMSSA-N 0 0 334.372 2.926 10 5 EFBERN COC(=O)Cc1ccc(NC[C@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001184688546 1290500648 /nfs/dbraw/zinc/50/06/48/1290500648.db2.gz JOOKGEYXBFTVGH-INIZCTEOSA-N 0 0 348.330 2.595 10 5 EFBERN O=[N+]([O-])c1cn(Cc2cc(CO)ccc2F)nc1-c1ccccn1 ZINC001166529660 1312789431 /nfs/dbraw/zinc/78/94/31/1312789431.db2.gz CXCLSPJHBNLHSD-UHFFFAOYSA-N 0 0 328.303 2.533 10 5 EFBERN CCc1[nH]nc(C(=O)OC[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000795613608 1290658843 /nfs/dbraw/zinc/65/88/43/1290658843.db2.gz ZKGNMWBPTNBTSD-NSHDSACASA-N 0 0 329.356 2.842 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccc(C)cc3)o2)c1=O ZINC001166614332 1312803066 /nfs/dbraw/zinc/80/30/66/1312803066.db2.gz IOIZIDMCLSVPQD-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001166622980 1312805393 /nfs/dbraw/zinc/80/53/93/1312805393.db2.gz NHRIARWGVVDAIU-XLMAVXFVSA-N 0 0 346.427 2.783 10 5 EFBERN O=C1OCC[C@@H]2CN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])CCN12 ZINC001185848114 1290778652 /nfs/dbraw/zinc/77/86/52/1290778652.db2.gz KVEGMLYMVUPQIM-MRVPVSSYSA-N 0 0 346.170 2.933 10 5 EFBERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000956938677 1290904696 /nfs/dbraw/zinc/90/46/96/1290904696.db2.gz QMUOLBVPKSEJHR-IAGOWNOFSA-N 0 0 337.379 2.987 10 5 EFBERN Cc1ccc(C2=NO[C@H](CNc3nn(C)cc3[N+](=O)[O-])C2)cc1C ZINC001186230776 1290905150 /nfs/dbraw/zinc/90/51/50/1290905150.db2.gz OQZBQRGWKJEAEA-ZDUSSCGKSA-N 0 0 329.360 2.550 10 5 EFBERN COc1ccc(Cl)cc1[C@H](O)CNc1ncc([N+](=O)[O-])cc1F ZINC001186441285 1290953660 /nfs/dbraw/zinc/95/36/60/1290953660.db2.gz LBLRHZWEJUNOGV-GFCCVEGCSA-N 0 0 341.726 2.936 10 5 EFBERN Cc1nc(Cl)nn1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001166722417 1312827371 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Cc1ccc2sc(CNc3nccc(C(N)=O)c3[N+](=O)[O-])nc2c1 ZINC001187446179 1291171629 /nfs/dbraw/zinc/17/16/29/1291171629.db2.gz VLMDCHAGQJDRJP-UHFFFAOYSA-N 0 0 343.368 2.619 10 5 EFBERN C[C@@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)OCCc2ccccc21 ZINC001187455068 1291174068 /nfs/dbraw/zinc/17/40/68/1291174068.db2.gz VSHPMARUOAWSDB-SFHVURJKSA-N 0 0 341.367 2.594 10 5 EFBERN COC(=O)[C@]12CCC[C@H]1CN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001187478807 1291178347 /nfs/dbraw/zinc/17/83/47/1291178347.db2.gz HKHWLCCPMIZWLC-UGSOOPFHSA-N 0 0 341.367 2.923 10 5 EFBERN COC(=O)/C=C/c1ccc(NCCC[C@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC001187519314 1291185855 /nfs/dbraw/zinc/18/58/55/1291185855.db2.gz YPDRUUXUEPJISM-IYNGYCSASA-N 0 0 348.355 2.536 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1CC ZINC001187574873 1291197759 /nfs/dbraw/zinc/19/77/59/1291197759.db2.gz FHGSZPHPJJLCFO-LKFCYVNXSA-N 0 0 345.758 2.761 10 5 EFBERN Cc1ccc(F)c(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1F ZINC001187986650 1291279806 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ZINC000868687008 1304421265 /nfs/dbraw/zinc/42/12/65/1304421265.db2.gz ZKVMZRXIIJVJKE-UHFFFAOYSA-N 0 0 335.404 2.909 10 5 EFBERN CO[C@](C)([C@@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000868704376 1304431211 /nfs/dbraw/zinc/43/12/11/1304431211.db2.gz UIFPQZUECDGETR-SJKOYZFVSA-N 0 0 335.404 2.906 10 5 EFBERN CC(C)[C@H]1C[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000868708004 1304433320 /nfs/dbraw/zinc/43/33/20/1304433320.db2.gz QAWRACRFZMLYSR-SWLSCSKDSA-N 0 0 338.379 2.844 10 5 EFBERN CCOC(CN(CC)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)OCC ZINC000868766398 1304463318 /nfs/dbraw/zinc/46/33/18/1304463318.db2.gz GHOJTIPQQCESRZ-XFXZXTDPSA-N 0 0 336.388 2.856 10 5 EFBERN CCOC(CN(CC)C(=O)Cc1cccc([N+](=O)[O-])c1C)OCC ZINC000868772297 1304466485 /nfs/dbraw/zinc/46/64/85/1304466485.db2.gz CSZUBRQTTNECML-UHFFFAOYSA-N 0 0 338.404 2.693 10 5 EFBERN Cc1ccc(CNC(=O)NCC2SCCS2)cc1[N+](=O)[O-] ZINC000868788067 1304476028 /nfs/dbraw/zinc/47/60/28/1304476028.db2.gz OUGVODYFGMQSTD-UHFFFAOYSA-N 0 0 327.431 2.509 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000869053400 1304591689 /nfs/dbraw/zinc/59/16/89/1304591689.db2.gz LVQHTUZTMLZDKY-AWEZNQCLSA-N 0 0 333.388 2.804 10 5 EFBERN Cc1ccc(CNC(=O)N2CCC([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000869053818 1304591737 /nfs/dbraw/zinc/59/17/37/1304591737.db2.gz UYBJUZPMPPJVNI-MRXNPFEDSA-N 0 0 347.415 2.861 10 5 EFBERN COC1CCC(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000869053782 1304591754 /nfs/dbraw/zinc/59/17/54/1304591754.db2.gz TYHPUAGGYVMPAE-UHFFFAOYSA-N 0 0 335.404 2.908 10 5 EFBERN Cc1ccc(CNC(=O)N2CC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000869054080 1304592735 /nfs/dbraw/zinc/59/27/35/1304592735.db2.gz GDHDHPWMAKTZAM-OAHLLOKOSA-N 0 0 340.383 2.997 10 5 EFBERN Cc1ccc(CNC(=O)N2CC[C@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000869053927 1304592891 /nfs/dbraw/zinc/59/28/91/1304592891.db2.gz YIWOFFIIUPSNOQ-HNNXBMFYSA-N 0 0 335.404 2.860 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000869184710 1304647760 /nfs/dbraw/zinc/64/77/60/1304647760.db2.gz BPEKUXPNIDVHCL-GDBMZVCRSA-N 0 0 336.363 2.740 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000869184711 1304647800 /nfs/dbraw/zinc/64/78/00/1304647800.db2.gz BPEKUXPNIDVHCL-GOEBONIOSA-N 0 0 336.363 2.740 10 5 EFBERN CC(C)(C)OC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000869313720 1304713739 /nfs/dbraw/zinc/71/37/39/1304713739.db2.gz LMPRBMQRVIYEBR-HNNXBMFYSA-N 0 0 335.356 2.801 10 5 EFBERN Cc1c(C(=O)OC[C@@H]2CC3(CO2)CCOCC3)cccc1[N+](=O)[O-] ZINC000869317668 1304715349 /nfs/dbraw/zinc/71/53/49/1304715349.db2.gz WAUCRIVTTLJVAJ-ZDUSSCGKSA-N 0 0 335.356 2.646 10 5 EFBERN O=C(O[C@@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000869318914 1304716044 /nfs/dbraw/zinc/71/60/44/1304716044.db2.gz YASQMDDDGCXWMU-CYBMUJFWSA-N 0 0 338.747 2.558 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@H]1CC2(CO1)CCOCC2 ZINC000869322019 1304718439 /nfs/dbraw/zinc/71/84/39/1304718439.db2.gz FZWKKTGQXPBKEM-CYBMUJFWSA-N 0 0 335.356 2.646 10 5 EFBERN CC1(C)Cc2n[nH]cc2CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869336547 1304727711 /nfs/dbraw/zinc/72/77/11/1304727711.db2.gz VJJZVZOISCEHGF-UHFFFAOYSA-N 0 0 346.362 2.611 10 5 EFBERN Cc1sc(C(=O)OC[C@H]2CC3(CO2)CCOCC3)cc1[N+](=O)[O-] ZINC000869343767 1304732445 /nfs/dbraw/zinc/73/24/45/1304732445.db2.gz QIVRCCAGVHZDFW-LLVKDONJSA-N 0 0 341.385 2.707 10 5 EFBERN Cc1cccc2c1C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])CO2 ZINC000869389478 1304754869 /nfs/dbraw/zinc/75/48/69/1304754869.db2.gz PUCXBDVZRXELAA-ZDUSSCGKSA-N 0 0 344.342 2.705 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@H]1CC2(CO1)CCOCC2 ZINC000869431943 1304777979 /nfs/dbraw/zinc/77/79/79/1304777979.db2.gz IPIYSHRODUTTQE-MRXNPFEDSA-N 0 0 349.383 2.656 10 5 EFBERN Cc1c(CC(=O)OC[C@H]2CC3(CO2)CCOCC3)cccc1[N+](=O)[O-] ZINC000869445824 1304784453 /nfs/dbraw/zinc/78/44/53/1304784453.db2.gz ZDXMYLHTPWVNRA-OAHLLOKOSA-N 0 0 349.383 2.575 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCN(C2CCC2)C1=O ZINC000869475830 1304800758 /nfs/dbraw/zinc/80/07/58/1304800758.db2.gz YZBYLHIUTXZQRE-JNSOCZORSA-N 0 0 344.367 2.695 10 5 EFBERN CC1(C)CO[C@@H](COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000869496498 1304811693 /nfs/dbraw/zinc/81/16/93/1304811693.db2.gz OXTKXCXDDHRJEQ-CYBMUJFWSA-N 0 0 345.355 2.752 10 5 EFBERN CC1(C)CO[C@H](COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000869496499 1304811870 /nfs/dbraw/zinc/81/18/70/1304811870.db2.gz OXTKXCXDDHRJEQ-ZDUSSCGKSA-N 0 0 345.355 2.752 10 5 EFBERN CC1(C)CO[C@H](COC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000869533480 1304834372 /nfs/dbraw/zinc/83/43/72/1304834372.db2.gz ZERARBSUPYYMNO-ZDUSSCGKSA-N 0 0 345.355 2.752 10 5 EFBERN COc1cc(C(=O)O[C@H](C)C(=O)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000869532991 1304834390 /nfs/dbraw/zinc/83/43/90/1304834390.db2.gz ZTZFQDYROPKFFK-MRVPVSSYSA-N 0 0 327.308 2.903 10 5 EFBERN COc1cc(C(=O)OC[C@H]2CC(C)(C)CO2)c([N+](=O)[O-])cc1F ZINC000869532947 1304834713 /nfs/dbraw/zinc/83/47/13/1304834713.db2.gz YUQONXZYZLHLMY-SECBINFHSA-N 0 0 327.308 2.714 10 5 EFBERN COc1cc(C(=O)NCC[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000869595803 1304867169 /nfs/dbraw/zinc/86/71/69/1304867169.db2.gz WFOPTFIMQCWGKB-VIFPVBQESA-N 0 0 328.365 2.616 10 5 EFBERN O=C(NCC[C@@H]1CCSC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000869608780 1304875521 /nfs/dbraw/zinc/87/55/21/1304875521.db2.gz ZKPYDMLQBGWTLP-GFCCVEGCSA-N 0 0 346.412 2.654 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000869708711 1304924848 /nfs/dbraw/zinc/92/48/48/1304924848.db2.gz SBWZSWNGBABLNL-SJCJKPOMSA-N 0 0 332.356 2.965 10 5 EFBERN CN(C(=O)COC(=O)[C@@]12C[C@@H]1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000869707827 1304924954 /nfs/dbraw/zinc/92/49/54/1304924954.db2.gz MWAGODOHMZPBHE-SJCJKPOMSA-N 0 0 332.356 2.681 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1(C(F)F)CCC1 ZINC000869710332 1304926688 /nfs/dbraw/zinc/92/66/88/1304926688.db2.gz MUENMUCBIOLZBF-UHFFFAOYSA-N 0 0 342.298 2.820 10 5 EFBERN C[C@H](OC(=O)C1(C(F)F)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000869710880 1304926736 /nfs/dbraw/zinc/92/67/36/1304926736.db2.gz FGHIWAXRNUMIFT-VIFPVBQESA-N 0 0 342.298 2.900 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(C(F)F)CCC1 ZINC000869712356 1304927354 /nfs/dbraw/zinc/92/73/54/1304927354.db2.gz XHGPWGIOEHKYHP-UHFFFAOYSA-N 0 0 342.298 2.820 10 5 EFBERN CC(C)(CCC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000869712100 1304928046 /nfs/dbraw/zinc/92/80/46/1304928046.db2.gz VEDXSDAVDBPHMS-LBPRGKRZSA-N 0 0 348.321 2.691 10 5 EFBERN COc1cc(COC(=O)[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])cc1F ZINC000869717738 1304931973 /nfs/dbraw/zinc/93/19/73/1304931973.db2.gz TTZPLYIBKYYGFR-ZBFHGGJFSA-N 0 0 339.319 2.745 10 5 EFBERN COCCn1ncc(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000869745344 1304949518 /nfs/dbraw/zinc/94/95/18/1304949518.db2.gz XTPFGKIMOCPALU-ZDUSSCGKSA-N 0 0 347.371 2.973 10 5 EFBERN CC1(C)CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccco1 ZINC000869789741 1304969935 /nfs/dbraw/zinc/96/99/35/1304969935.db2.gz PAQBYPOQIYSBHR-HUUCEWRRSA-N 0 0 330.340 2.831 10 5 EFBERN Cc1nccc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000869809832 1304980876 /nfs/dbraw/zinc/98/08/76/1304980876.db2.gz AVUXHKLBOCMGMG-UHFFFAOYSA-N 0 0 327.340 2.858 10 5 EFBERN CCCNC(=O)CCCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809824 1304980934 /nfs/dbraw/zinc/98/09/34/1304980934.db2.gz ASUAEIKWGBFUAX-UHFFFAOYSA-N 0 0 348.399 2.866 10 5 EFBERN COC(=O)C1(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000869810536 1304981465 /nfs/dbraw/zinc/98/14/65/1304981465.db2.gz ILHDFBYSBCXOCC-UHFFFAOYSA-N 0 0 333.340 2.513 10 5 EFBERN Cc1cc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)nn1C ZINC000869811658 1304981635 /nfs/dbraw/zinc/98/16/35/1304981635.db2.gz RXVTVRNRQIAGTI-UHFFFAOYSA-N 0 0 329.356 2.802 10 5 EFBERN Cc1cnc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)nc1 ZINC000869812016 1304982908 /nfs/dbraw/zinc/98/29/08/1304982908.db2.gz YTDCQWQHAWIFOH-UHFFFAOYSA-N 0 0 327.340 2.858 10 5 EFBERN O=C(OCCO[C@@H]1CC1(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811753 1304982972 /nfs/dbraw/zinc/98/29/72/1304982972.db2.gz VFVWTDMTEUMCKZ-CYBMUJFWSA-N 0 0 341.310 2.984 10 5 EFBERN CC1(C)[C@H]2[C@H](CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1O ZINC000869831296 1304994324 /nfs/dbraw/zinc/99/43/24/1304994324.db2.gz HZIUYUBVKVIOLH-YUTCNCBUSA-N 0 0 338.791 2.870 10 5 EFBERN CC1(C)[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1O ZINC000869831171 1304994351 /nfs/dbraw/zinc/99/43/51/1304994351.db2.gz BWXABNGAGMXPAL-GDLCADMTSA-N 0 0 338.791 2.870 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1COC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000869854242 1305006432 /nfs/dbraw/zinc/00/64/32/1305006432.db2.gz DFSWFWHFKRHXCO-LLVKDONJSA-N 0 0 345.355 2.739 10 5 EFBERN C[C@@H]1CCn2cc(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)nc2C1 ZINC000869854911 1305006859 /nfs/dbraw/zinc/00/68/59/1305006859.db2.gz KSSOJNITXSSROJ-SNVBAGLBSA-N 0 0 333.319 2.870 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000869891420 1305024992 /nfs/dbraw/zinc/02/49/92/1305024992.db2.gz KRLPCPDPVYGTTF-SCUASFONSA-N 0 0 332.356 2.677 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000869893181 1305026168 /nfs/dbraw/zinc/02/61/68/1305026168.db2.gz IHSQFKNIPYYVDR-FDYHWXHSSA-N 0 0 332.356 2.677 10 5 EFBERN C[C@H](OC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000869894704 1305026452 /nfs/dbraw/zinc/02/64/52/1305026452.db2.gz WOUOPFWWQCSPPA-KIJLLGNVSA-N 0 0 332.356 2.757 10 5 EFBERN C[C@H](OC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000869894705 1305026947 /nfs/dbraw/zinc/02/69/47/1305026947.db2.gz WOUOPFWWQCSPPA-KSSYENDESA-N 0 0 332.356 2.757 10 5 EFBERN CCOC1CC2(C[C@H]2C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000869931231 1305044615 /nfs/dbraw/zinc/04/46/15/1305044615.db2.gz GICNFAUYJNZQKP-JZLYGMAVSA-N 0 0 335.356 2.722 10 5 EFBERN CCO[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000869949059 1305052122 /nfs/dbraw/zinc/05/21/22/1305052122.db2.gz KKSRHBRXBKMDTH-IINYFYTJSA-N 0 0 343.763 2.733 10 5 EFBERN CCO[C@@H](C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000869948470 1305052258 /nfs/dbraw/zinc/05/22/58/1305052258.db2.gz XWNOLGCRKADHHQ-BXUZGUMPSA-N 0 0 343.763 2.733 10 5 EFBERN CCO[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000869949062 1305052628 /nfs/dbraw/zinc/05/26/28/1305052628.db2.gz KKSRHBRXBKMDTH-QMTHXVAHSA-N 0 0 343.763 2.733 10 5 EFBERN CCO[C@H]1COCC[C@@H]1CC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000869958712 1305058127 /nfs/dbraw/zinc/05/81/27/1305058127.db2.gz INBNIYIZBOMNNH-ABAIWWIYSA-N 0 0 341.335 2.609 10 5 EFBERN CCO[C@@H]1COCC[C@@H]1CC(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000869959568 1305058447 /nfs/dbraw/zinc/05/84/47/1305058447.db2.gz MOGHPPYBGUFNMF-GDBMZVCRSA-N 0 0 337.372 2.512 10 5 EFBERN CCO[C@@H]1COCC[C@@H]1CC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000869959582 1305058781 /nfs/dbraw/zinc/05/87/81/1305058781.db2.gz MOOUCLTZQBABGJ-VXGBXAGGSA-N 0 0 329.374 2.531 10 5 EFBERN CCO[C@@H]1COCC[C@H]1CC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000869961694 1305059762 /nfs/dbraw/zinc/05/97/62/1305059762.db2.gz QTXAMCUAFCZJAE-XHDPSFHLSA-N 0 0 341.335 2.609 10 5 EFBERN Cn1nccc1C1=CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000795106650 1305214901 /nfs/dbraw/zinc/21/49/01/1305214901.db2.gz GZLJIDDSPLZPQA-UHFFFAOYSA-N 0 0 343.412 2.814 10 5 EFBERN Cc1scc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1C ZINC000870294608 1305246755 /nfs/dbraw/zinc/24/67/55/1305246755.db2.gz DYOQBDWWJXOZKZ-UHFFFAOYSA-N 0 0 348.380 2.781 10 5 EFBERN C[C@H]([C@H](OC(=O)[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000870453638 1305329514 /nfs/dbraw/zinc/32/95/14/1305329514.db2.gz BMCMXIJNXHTKDA-SGOHARFASA-N 0 0 325.336 2.889 10 5 EFBERN O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000870479735 1305348469 /nfs/dbraw/zinc/34/84/69/1305348469.db2.gz YCKOLQRBQALYNB-JXNBKPOHSA-N 0 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EFBERN COC(=O)c1ccnc(NCC(C)(C)C2CCOCC2)c1[N+](=O)[O-] ZINC001164255455 1312479691 /nfs/dbraw/zinc/47/96/91/1312479691.db2.gz REFKNDJMXQPIFL-UHFFFAOYSA-N 0 0 337.376 2.641 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC001164265004 1312481384 /nfs/dbraw/zinc/48/13/84/1312481384.db2.gz LJBAGSSWWOXCFL-SECBINFHSA-N 0 0 329.312 2.843 10 5 EFBERN CCOCc1nc(C)cc(Oc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC001164357762 1312499435 /nfs/dbraw/zinc/49/94/35/1312499435.db2.gz DOPFYAQLFFYIHL-UHFFFAOYSA-N 0 0 347.327 2.793 10 5 EFBERN Cc1ccc(S(=O)(=O)N(C)C2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000903248494 1312500582 /nfs/dbraw/zinc/50/05/82/1312500582.db2.gz PVBHSEFQLLMOJJ-UHFFFAOYSA-N 0 0 338.307 2.619 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001164364648 1312500621 /nfs/dbraw/zinc/50/06/21/1312500621.db2.gz MCVLVADQJSPPDA-XYPYZODXSA-N 0 0 339.396 2.587 10 5 EFBERN COCc1ccnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001164379456 1312504540 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Cc1ccc([C@@H](O)CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001248636529 1314950771 /nfs/dbraw/zinc/95/07/71/1314950771.db2.gz WTTGZCWAXSFTHP-RISCZKNCSA-N 0 0 333.344 2.590 10 5 EFBERN CC(C)n1cnnc1CN(C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001248636363 1314950783 /nfs/dbraw/zinc/95/07/83/1314950783.db2.gz SRAGCFPHXVJGQR-GFCCVEGCSA-N 0 0 346.391 2.670 10 5 EFBERN Cc1cccc(NCCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001248662697 1314951874 /nfs/dbraw/zinc/95/18/74/1314951874.db2.gz QSTGZVLEBPYPGR-ZDUSSCGKSA-N 0 0 343.387 2.771 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001248709014 1314955753 /nfs/dbraw/zinc/95/57/53/1314955753.db2.gz CTYGIOCSKATDPX-MPTQWLOMSA-N 0 0 332.404 2.598 10 5 EFBERN CCC[C@H](CCO)CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001251304750 1315339561 /nfs/dbraw/zinc/33/95/61/1315339561.db2.gz KXMSOJXVIITKKR-UONOGXRCSA-N 0 0 337.420 2.796 10 5 EFBERN CCn1ncc(C)c1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001278639753 1315395671 /nfs/dbraw/zinc/39/56/71/1315395671.db2.gz PZCNOBCJPOKFHD-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN CCCC1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC001252456500 1315451621 /nfs/dbraw/zinc/45/16/21/1315451621.db2.gz GHLZAROOWYISHG-UHFFFAOYSA-N 0 0 343.387 2.828 10 5 EFBERN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(C(=O)OC)c1 ZINC001253022868 1315555611 /nfs/dbraw/zinc/55/56/11/1315555611.db2.gz IJNDAPSGPCKMQE-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN CO[C@H]1COCC[C@H]1CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001278725036 1315609575 /nfs/dbraw/zinc/60/95/75/1315609575.db2.gz AQDJRMUHBPCSPE-WFASDCNBSA-N 0 0 345.355 2.523 10 5 EFBERN CNc1nc(C)cc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)n1 ZINC001278725758 1315609993 /nfs/dbraw/zinc/60/99/93/1315609993.db2.gz QRKMVJNXFOUNOL-UHFFFAOYSA-N 0 0 338.327 2.535 10 5 EFBERN Cc1c(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)nnn1C(C)C ZINC001278725647 1315610327 /nfs/dbraw/zinc/61/03/27/1315610327.db2.gz NTYIEZDYZAIJKW-UHFFFAOYSA-N 0 0 340.343 2.876 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10 5 EFBERN Cn1nc(C2CC2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001261275304 1316400792 /nfs/dbraw/zinc/40/07/92/1316400792.db2.gz NCNGPZWMQZVVFW-UHFFFAOYSA-N 0 0 330.344 2.613 10 5 EFBERN O=[N+]([O-])c1cc(-c2nnc(-c3cnccn3)o2)ccc1OC(F)F ZINC001261568078 1316419053 /nfs/dbraw/zinc/41/90/53/1316419053.db2.gz IUXOKRUIWPAPKQ-UHFFFAOYSA-N 0 0 335.226 2.703 10 5 EFBERN O=[N+]([O-])c1ccc(-n2ccc(-c3nnc(Cc4ccccn4)o3)n2)cc1 ZINC001261570130 1316419371 /nfs/dbraw/zinc/41/93/71/1316419371.db2.gz FTDLDMCJXQODDM-UHFFFAOYSA-N 0 0 348.322 2.816 10 5 EFBERN Cc1nn(CN2CCOC[C@H]2c2cccc(F)c2)c(C)c1[N+](=O)[O-] ZINC001261655009 1316423067 /nfs/dbraw/zinc/42/30/67/1316423067.db2.gz JLCLOFVZRHRTOE-HNNXBMFYSA-N 0 0 334.351 2.578 10 5 EFBERN C[C@](CO)(NC(=O)c1cc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC001261885365 1316436093 /nfs/dbraw/zinc/43/60/93/1316436093.db2.gz CWTURJLDTBUYKN-QGZVFWFLSA-N 0 0 346.408 2.783 10 5 EFBERN CC1(C)CO[C@H](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001262188197 1316451780 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COc1ccccc1C(=O)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001289346500 1321813148 /nfs/dbraw/zinc/81/31/48/1321813148.db2.gz CRQKYMGGSHQXDN-GFCCVEGCSA-N 0 0 342.351 2.706 10 5 EFBERN COC(=O)[C@H](NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC001289483922 1321818627 /nfs/dbraw/zinc/81/86/27/1321818627.db2.gz PLJHUFUMEMDZKA-MRXNPFEDSA-N 0 0 342.351 2.856 10 5 EFBERN COc1ccc(C)nc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001289500013 1321818805 /nfs/dbraw/zinc/81/88/05/1321818805.db2.gz SMVDRSUYFFPAQO-UHFFFAOYSA-N 0 0 346.299 2.776 10 5 EFBERN Cn1cnc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC001289695664 1321823438 /nfs/dbraw/zinc/82/34/38/1321823438.db2.gz DGFFUNOYMADVSG-UHFFFAOYSA-N 0 0 329.143 2.565 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)C[C@H]1C(F)(F)F ZINC001289881636 1321833681 /nfs/dbraw/zinc/83/36/81/1321833681.db2.gz BDIRTNBOLAKAFE-KOLCDFICSA-N 0 0 348.325 2.679 10 5 EFBERN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccnn1C ZINC001289921848 1321837089 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C[C@@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCOCC1 ZINC001291037884 1321974948 /nfs/dbraw/zinc/97/49/48/1321974948.db2.gz JAANIFHOGWRKGY-DOMZBBRYSA-N 0 0 343.387 2.661 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1CSCCS1 ZINC001306989006 1321979143 /nfs/dbraw/zinc/97/91/43/1321979143.db2.gz WMFJYEDDRUWXBK-JTQLQIEISA-N 0 0 339.417 2.965 10 5 EFBERN Cc1cccc(OC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001291913335 1322021901 /nfs/dbraw/zinc/02/19/01/1322021901.db2.gz XVRGUSORFHIUSX-LBPRGKRZSA-N 0 0 329.356 2.683 10 5 EFBERN CO[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC001291971568 1322026243 /nfs/dbraw/zinc/02/62/43/1322026243.db2.gz VZICNINRUSEBQR-HNNXBMFYSA-N 0 0 332.331 2.780 10 5 EFBERN COc1ccc(Cl)c(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001292115132 1322038125 /nfs/dbraw/zinc/03/81/25/1322038125.db2.gz DNVSZOTUZVXQBV-AWEZNQCLSA-N 0 0 336.731 2.929 10 5 EFBERN COc1cc(C(=O)NCc2ccccc2N(C)C)c([N+](=O)[O-])cc1F ZINC001292308516 1322053596 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PFZZUOQQVYTVJM-UHFFFAOYSA-N 0 0 349.274 2.832 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC001295500762 1322713282 /nfs/dbraw/zinc/71/32/82/1322713282.db2.gz IEGQZGQWOMEYPH-UHFFFAOYSA-N 0 0 344.302 2.554 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001295524552 1322717719 /nfs/dbraw/zinc/71/77/19/1322717719.db2.gz XMUZBYJQUPJGBD-UHFFFAOYSA-N 0 0 326.352 2.699 10 5 EFBERN CC(C)(C)[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC001295731740 1322762645 /nfs/dbraw/zinc/76/26/45/1322762645.db2.gz WVEVOJWGOCCOOX-ZBFHGGJFSA-N 0 0 345.399 2.945 10 5 EFBERN CCC(CC)[C@H]1C[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCO1 ZINC001295762595 1322770504 /nfs/dbraw/zinc/77/05/04/1322770504.db2.gz HNEQHSKYUGWJFW-VHSXEESVSA-N 0 0 344.799 2.685 10 5 EFBERN CN(C)[C@@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC001307205356 1322801537 /nfs/dbraw/zinc/80/15/37/1322801537.db2.gz JSPVECMOINGHAE-NSHDSACASA-N 0 0 336.270 2.798 10 5 EFBERN C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1cn[nH]c1 ZINC001295898496 1322801809 /nfs/dbraw/zinc/80/18/09/1322801809.db2.gz YOVZNXPZGWOGDR-VIFPVBQESA-N 0 0 325.328 2.544 10 5 EFBERN CC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC001295942126 1322813549 /nfs/dbraw/zinc/81/35/49/1322813549.db2.gz UNPTXZGUTPLCAQ-CMPLNLGQSA-N 0 0 327.768 2.518 10 5 EFBERN CC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC001295942148 1322813569 /nfs/dbraw/zinc/81/35/69/1322813569.db2.gz UNPTXZGUTPLCAQ-ZYHUDNBSSA-N 0 0 327.768 2.518 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CC(=O)OC(C)(C)C)c1 ZINC001319992332 1329051723 /nfs/dbraw/zinc/05/17/23/1329051723.db2.gz HEKCFFFSCVHQQF-SNVBAGLBSA-N 0 0 338.360 2.914 10 5 EFBERN CCc1ccc(O)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001295987945 1322836960 /nfs/dbraw/zinc/83/69/60/1322836960.db2.gz GVZVBKMZPYKAQE-UHFFFAOYSA-N 0 0 326.312 2.991 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC001296000170 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2.818 10 5 EFBERN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](C)C(=O)OCC ZINC001297139398 1323100305 /nfs/dbraw/zinc/10/03/05/1323100305.db2.gz GJVDJCFQKHNQNS-JTQLQIEISA-N 0 0 326.324 2.538 10 5 EFBERN O=C(Nc1ccc(Oc2ccccc2F)nc1)c1c[nH]nc1[N+](=O)[O-] ZINC001297230594 1323128921 /nfs/dbraw/zinc/12/89/21/1323128921.db2.gz DIMONJGFFUIKGO-UHFFFAOYSA-N 0 0 343.274 2.897 10 5 EFBERN COc1ccccc1C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001297231366 1323129325 /nfs/dbraw/zinc/12/93/25/1323129325.db2.gz WNPUXXSVQSWAMJ-JTQLQIEISA-N 0 0 347.346 2.686 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1cnn2cccc(Cl)c12 ZINC001297273810 1323145070 /nfs/dbraw/zinc/14/50/70/1323145070.db2.gz PEFQNXZNQMOIIV-UHFFFAOYSA-N 0 0 344.758 2.868 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(N(C)C(N)=O)c1 ZINC001297314768 1323162080 /nfs/dbraw/zinc/16/20/80/1323162080.db2.gz CWTRAJQHKFPTRW-UHFFFAOYSA-N 0 0 342.355 2.979 10 5 EFBERN CO[C@@H]1CC[C@@H]1N(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307231881 1323174141 /nfs/dbraw/zinc/17/41/41/1323174141.db2.gz SFMHMAGEHHPRBL-GXTWGEPZSA-N 0 0 332.316 2.665 10 5 EFBERN Cc1noc([C@H]2CCCN2C(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC001297638101 1323305287 /nfs/dbraw/zinc/30/52/87/1323305287.db2.gz GVAGCKPHPYCOSZ-CQSZACIVSA-N 0 0 348.334 2.722 10 5 EFBERN O=C(NCc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1Cl ZINC001297666803 1323313047 /nfs/dbraw/zinc/31/30/47/1323313047.db2.gz OIUOZNGPHDOQCO-UHFFFAOYSA-N 0 0 330.731 2.826 10 5 EFBERN O=C(Nc1nncn1C1CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001297771889 1323342494 /nfs/dbraw/zinc/34/24/94/1323342494.db2.gz PCCNJLCZYPATSG-UHFFFAOYSA-N 0 0 327.344 2.582 10 5 EFBERN Cc1ccc(F)c(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC001297995050 1323405080 /nfs/dbraw/zinc/40/50/80/1323405080.db2.gz JMUQFXGROFOVCG-UHFFFAOYSA-N 0 0 335.310 2.736 10 5 EFBERN O=C(c1ccc(O)cn1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001298141301 1323451226 /nfs/dbraw/zinc/45/12/26/1323451226.db2.gz HPACDYHBGFCMGF-ZDUSSCGKSA-N 0 0 327.340 2.715 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2c[nH]nc2c1 ZINC001298192484 1323453950 /nfs/dbraw/zinc/45/39/50/1323453950.db2.gz WHZARCXPXMUNKC-UHFFFAOYSA-N 0 0 340.343 2.939 10 5 EFBERN C[C@H]1CCC[C@]1(O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001298565036 1323566090 /nfs/dbraw/zinc/56/60/90/1323566090.db2.gz MXGFSSMKBIKXBW-VOJFVSQTSA-N 0 0 343.383 2.611 10 5 EFBERN O=C(Nc1cccc2[nH]c(=O)[nH]c21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001298772216 1323604989 /nfs/dbraw/zinc/60/49/89/1323604989.db2.gz ZHXMTAGTHPKTOT-NWDGAFQWSA-N 0 0 338.323 2.919 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001298823229 1323615909 /nfs/dbraw/zinc/61/59/09/1323615909.db2.gz AFTKTTRIFBDCOG-UHFFFAOYSA-N 0 0 344.249 2.988 10 5 EFBERN COc1nccc2c(NC(=O)c3c(N)cccc3[N+](=O)[O-])cccc12 ZINC001299107851 1323694598 /nfs/dbraw/zinc/69/45/98/1323694598.db2.gz ZVUFFYQWJYGSLN-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001299859326 1323709403 /nfs/dbraw/zinc/70/94/03/1323709403.db2.gz XWFPYCFMPQQEPA-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN C[C@H](C(=O)NCc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001299868438 1323710625 /nfs/dbraw/zinc/71/06/25/1323710625.db2.gz FFDGIUACBQPJRS-NSHDSACASA-N 0 0 332.331 2.646 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC001299931740 1323713358 /nfs/dbraw/zinc/71/33/58/1323713358.db2.gz DFGYYYQUGSAMMD-UHFFFAOYSA-N 0 0 349.249 2.650 10 5 EFBERN C[C@@H](C(=O)Nc1c[nH]nc1Br)c1cccc([N+](=O)[O-])c1 ZINC001299955166 1323713991 /nfs/dbraw/zinc/71/39/91/1323713991.db2.gz BBDFBPODJGHYFE-SSDOTTSWSA-N 0 0 339.149 2.823 10 5 EFBERN Nc1c(C(=O)N2Cc3cc(F)c(F)cc3C2)cc(F)cc1[N+](=O)[O-] ZINC001299939425 1323714510 /nfs/dbraw/zinc/71/45/10/1323714510.db2.gz VJQQPXGQQJDPDG-UHFFFAOYSA-N 0 0 337.257 2.750 10 5 EFBERN Cc1cccc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001492189181 1324339664 /nfs/dbraw/zinc/33/96/64/1324339664.db2.gz OMOPPPGGYRCJKE-UHFFFAOYSA-N 0 0 327.384 2.765 10 5 EFBERN CN(CCNC(=O)c1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001492187030 1324371032 /nfs/dbraw/zinc/37/10/32/1324371032.db2.gz UAFLTHUGKIKZPH-UHFFFAOYSA-N 0 0 331.347 2.596 10 5 EFBERN O=C(NCCc1cnoc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001300923271 1324515341 /nfs/dbraw/zinc/51/53/41/1324515341.db2.gz JGDFSPHJKVSZLK-UHFFFAOYSA-N 0 0 344.352 2.679 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2CCc3ccc(O)cc32)c1[N+](=O)[O-] ZINC001301039488 1324519697 /nfs/dbraw/zinc/51/96/97/1324519697.db2.gz WXTCJHXZOLKAPU-CQSZACIVSA-N 0 0 328.324 2.726 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)n1 ZINC001301173179 1324526494 /nfs/dbraw/zinc/52/64/94/1324526494.db2.gz PNINXPNZXNKQOM-QGZVFWFLSA-N 0 0 349.387 2.635 10 5 EFBERN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001301252899 1324532101 /nfs/dbraw/zinc/53/21/01/1324532101.db2.gz YIKIWOZODCHCJE-CABZTGNLSA-N 0 0 334.763 2.893 10 5 EFBERN Cc1cn2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2n1 ZINC001301354142 1324539946 /nfs/dbraw/zinc/53/99/46/1324539946.db2.gz KAIGKYUQORRISF-UHFFFAOYSA-N 0 0 339.355 2.626 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)n1 ZINC001301441734 1324543512 /nfs/dbraw/zinc/54/35/12/1324543512.db2.gz UPGLKAKNAWYZPW-UHFFFAOYSA-N 0 0 349.387 2.540 10 5 EFBERN O=C(NCc1cc(F)ccc1OC(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC001301450276 1324544512 /nfs/dbraw/zinc/54/45/12/1324544512.db2.gz PQCXFKQJQQVGMQ-UHFFFAOYSA-N 0 0 329.234 2.593 10 5 EFBERN CSc1cccc(C(=O)Nc2cc(CO)cc(CO)c2)c1[N+](=O)[O-] ZINC001301644331 1324554216 /nfs/dbraw/zinc/55/42/16/1324554216.db2.gz INONHBJARBGJBR-UHFFFAOYSA-N 0 0 348.380 2.554 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cs1 ZINC001301729936 1324558104 /nfs/dbraw/zinc/55/81/04/1324558104.db2.gz XFAAWWGVZNNMSN-UHFFFAOYSA-N 0 0 325.733 2.661 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])NC1(CO)CCCCCCC1 ZINC001302640824 1324582290 /nfs/dbraw/zinc/58/22/90/1324582290.db2.gz LKSVQXONKRHOMT-UHFFFAOYSA-N 0 0 335.404 2.598 10 5 EFBERN CCC(O)(CC)C(C)(C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001302734141 1324585389 /nfs/dbraw/zinc/58/53/89/1324585389.db2.gz RIHLCBOLVNSTPV-UHFFFAOYSA-N 0 0 334.376 2.531 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(CC(F)F)C1 ZINC001302973054 1324590207 /nfs/dbraw/zinc/59/02/07/1324590207.db2.gz LDXZDDFVXUHZAD-LBPRGKRZSA-N 0 0 341.358 2.528 10 5 EFBERN C=C/C=C/CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001303177527 1324596397 /nfs/dbraw/zinc/59/63/97/1324596397.db2.gz UFPDWEMTSQGMQH-ONEGZZNKSA-N 0 0 327.340 2.770 10 5 EFBERN O=C(Nc1cccc2nc[nH]c(=O)c21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001303463940 1324606641 /nfs/dbraw/zinc/60/66/41/1324606641.db2.gz QPFBMCRUASBTLB-UHFFFAOYSA-N 0 0 349.306 2.977 10 5 EFBERN CNc1ccc(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)cc1[N+](=O)[O-] ZINC001303553994 1324611409 /nfs/dbraw/zinc/61/14/09/1324611409.db2.gz VUYIWIKMQODBRL-MLGOLLRUSA-N 0 0 345.330 2.838 10 5 EFBERN CCc1ccc(C(=O)N2CCC(c3ncon3)CC2)cc1[N+](=O)[O-] ZINC001303856972 1324623104 /nfs/dbraw/zinc/62/31/04/1324623104.db2.gz YAYBRNSEGQVIEY-UHFFFAOYSA-N 0 0 330.344 2.560 10 5 EFBERN C[N@@H+]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303990303 1324629958 /nfs/dbraw/zinc/62/99/58/1324629958.db2.gz WCLCMCLFZPEFDB-LBPRGKRZSA-N 0 0 345.321 2.684 10 5 EFBERN CNc1nccc(C(=O)Nc2cccc(-c3ccon3)c2)c1[N+](=O)[O-] ZINC001304005792 1324631037 /nfs/dbraw/zinc/63/10/37/1324631037.db2.gz OLYHTQSOGPVSCP-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)c1cc(F)cc(F)c1 ZINC001304025534 1324632312 /nfs/dbraw/zinc/63/23/12/1324632312.db2.gz YRVAHHYJPPQKJS-UHFFFAOYSA-N 0 0 349.293 2.527 10 5 EFBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H](c2cnccn2)C1 ZINC001304033316 1324632902 /nfs/dbraw/zinc/63/29/02/1324632902.db2.gz BPFZQSPAVXKLGK-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN COc1cc(C(=O)NC2CC(Cl)(Cl)C2)cc([N+](=O)[O-])c1C ZINC001304045086 1324634285 /nfs/dbraw/zinc/63/42/85/1324634285.db2.gz PYIRDDSCNYLTME-UHFFFAOYSA-N 0 0 333.171 2.978 10 5 EFBERN Nc1c(C(=O)N2COCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001304134831 1324641590 /nfs/dbraw/zinc/64/15/90/1324641590.db2.gz SBYBGHJEWQGVCT-AWEZNQCLSA-N 0 0 327.340 2.738 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001304207176 1324645799 /nfs/dbraw/zinc/64/57/99/1324645799.db2.gz ZHRFLEMECAMPQB-GWCFXTLKSA-N 0 0 326.780 2.919 10 5 EFBERN C[C@]12CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001304204126 1324645974 /nfs/dbraw/zinc/64/59/74/1324645974.db2.gz NQGFSXJWKZAPHU-STTGHKBWSA-N 0 0 333.363 2.824 10 5 EFBERN Cc1ccc(NC(=O)c2cn(C)nc2-c2ccoc2)c(N)c1[N+](=O)[O-] ZINC001304501488 1324651983 /nfs/dbraw/zinc/65/19/83/1324651983.db2.gz WKEFFUCCBFMBGB-UHFFFAOYSA-N 0 0 341.327 2.731 10 5 EFBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000845768402 1324652269 /nfs/dbraw/zinc/65/22/69/1324652269.db2.gz LYPMIBAHBOHKGM-ZDUSSCGKSA-N 0 0 343.286 2.539 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(CCO)cc1 ZINC001304783593 1324661557 /nfs/dbraw/zinc/66/15/57/1324661557.db2.gz LZVAYQCLXFGRIL-UHFFFAOYSA-N 0 0 348.786 2.642 10 5 EFBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H]1C ZINC001304797080 1324662420 /nfs/dbraw/zinc/66/24/20/1324662420.db2.gz RPJGXWIPEZWNHM-DOMZBBRYSA-N 0 0 329.404 2.830 10 5 EFBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@H]1C ZINC001304797081 1324662648 /nfs/dbraw/zinc/66/26/48/1324662648.db2.gz RPJGXWIPEZWNHM-IUODEOHRSA-N 0 0 329.404 2.830 10 5 EFBERN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)CC1CCCC1 ZINC001304802890 1324663152 /nfs/dbraw/zinc/66/31/52/1324663152.db2.gz QKSAIEKPVMWYMX-LLVKDONJSA-N 0 0 340.401 2.756 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001304958096 1324669421 /nfs/dbraw/zinc/66/94/21/1324669421.db2.gz XUPFHDZDODKFJY-OPQQBVKSSA-N 0 0 335.335 2.611 10 5 EFBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCC ZINC001306770860 1324720902 /nfs/dbraw/zinc/72/09/02/1324720902.db2.gz XSNPHQUACWGFRP-UHFFFAOYSA-N 0 0 333.392 2.736 10 5 EFBERN Nc1nccc(C(=O)Nc2nc(-c3ccccc3F)co2)c1[N+](=O)[O-] ZINC001306854434 1324725699 /nfs/dbraw/zinc/72/56/99/1324725699.db2.gz KQCTWKAUYVWQME-UHFFFAOYSA-N 0 0 343.274 2.618 10 5 EFBERN CN(CCNC(=O)C1(C)CC(F)(F)C1)Cc1ccccc1[N+](=O)[O-] ZINC001317467619 1324726124 /nfs/dbraw/zinc/72/61/24/1324726124.db2.gz VZYBUDHWYMZGFR-UHFFFAOYSA-N 0 0 341.358 2.578 10 5 EFBERN O=C1CCCN1c1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001306913280 1324731097 /nfs/dbraw/zinc/73/10/97/1324731097.db2.gz HEPYIYZHSOZCQU-UHFFFAOYSA-N 0 0 332.747 2.936 10 5 EFBERN CCOC(=O)CCCCCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC001306935008 1324733608 /nfs/dbraw/zinc/73/36/08/1324733608.db2.gz UUWIUXBJMMKXRO-UHFFFAOYSA-N 0 0 329.784 2.991 10 5 EFBERN CCCCCOC1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001306990511 1324736304 /nfs/dbraw/zinc/73/63/04/1324736304.db2.gz VVPHYOCBELKCHZ-UHFFFAOYSA-N 0 0 345.399 2.842 10 5 EFBERN C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001306992391 1324736811 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O=c1[nH]ccc(NCCc2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC001307096489 1324740936 /nfs/dbraw/zinc/74/09/36/1324740936.db2.gz HYWJVAJKDFCFCD-UHFFFAOYSA-N 0 0 325.271 2.951 10 5 EFBERN CCOC(=O)C1(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001307104772 1324741879 /nfs/dbraw/zinc/74/18/79/1324741879.db2.gz XILRHXIMFRCVRT-UHFFFAOYSA-N 0 0 349.774 2.974 10 5 EFBERN COc1cc(Oc2cc(C(F)F)nc3ncnn32)ccc1[N+](=O)[O-] ZINC001307111454 1324742229 /nfs/dbraw/zinc/74/22/29/1324742229.db2.gz OWIDUMWTURBGJK-UHFFFAOYSA-N 0 0 337.242 2.771 10 5 EFBERN Cc1nc(NC[C@H](O)c2cc(F)cc(Cl)c2)ncc1[N+](=O)[O-] ZINC001307114050 1324742713 /nfs/dbraw/zinc/74/27/13/1324742713.db2.gz VZUIJJNDVCRZQI-LBPRGKRZSA-N 0 0 326.715 2.631 10 5 EFBERN CC[C@H]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001307129930 1324744036 /nfs/dbraw/zinc/74/40/36/1324744036.db2.gz UARKDNBAIXQLGR-RYUDHWBXSA-N 0 0 341.433 2.871 10 5 EFBERN O=C1N=NC(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1C1CC1 ZINC001307181953 1324747778 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CS(C)(=O)=Nc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC001354564888 1334381148 /nfs/dbraw/zinc/38/11/48/1334381148.db2.gz OPDAVTFPVFXDLP-UHFFFAOYSA-N 0 0 347.396 2.884 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1COc2cc(F)ccc2C1 ZINC001354563758 1334381376 /nfs/dbraw/zinc/38/13/76/1334381376.db2.gz KBTBZPDNBTXDMI-ZDUSSCGKSA-N 0 0 330.315 2.601 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ncc2c(F)cccn21 ZINC001354578213 1334385841 /nfs/dbraw/zinc/38/58/41/1334385841.db2.gz VMLWQDVNEMLQLV-UHFFFAOYSA-N 0 0 336.229 2.912 10 5 EFBERN CN(CCc1cnccn1)c1cccc(Br)c1[N+](=O)[O-] ZINC001472747073 1334399031 /nfs/dbraw/zinc/39/90/31/1334399031.db2.gz QDLQLLBXULINQM-UHFFFAOYSA-N 0 0 337.177 2.826 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001354625887 1334422533 /nfs/dbraw/zinc/42/25/33/1334422533.db2.gz XABUHINCZRALBT-SNVBAGLBSA-N 0 0 330.300 2.697 10 5 EFBERN COc1ccc(CN(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC001300688864 1334450655 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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ncc(Cl)s1 ZINC001472940402 1334677748 /nfs/dbraw/zinc/67/77/48/1334677748.db2.gz FNCROPGPYVFYSX-UHFFFAOYSA-N 0 0 332.790 2.987 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCC(F)(F)CC1 ZINC000848346558 1334679205 /nfs/dbraw/zinc/67/92/05/1334679205.db2.gz DMIRBWAJRFUBHA-MRVPVSSYSA-N 0 0 328.319 2.516 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C2OCCO2)cc1 ZINC001355056540 1334683076 /nfs/dbraw/zinc/68/30/76/1334683076.db2.gz ZUYRQYYAIGLWBU-UHFFFAOYSA-N 0 0 344.323 2.901 10 5 EFBERN Cc1cc(C(=O)NC[C@H]2CCC3(CCCC3)O2)c(N)c([N+](=O)[O-])c1 ZINC000848359282 1334693684 /nfs/dbraw/zinc/69/36/84/1334693684.db2.gz NTLSEZBLHLPTAM-GFCCVEGCSA-N 0 0 333.388 2.707 10 5 EFBERN Cc1nc(NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001355099030 1334698562 /nfs/dbraw/zinc/69/85/62/1334698562.db2.gz ICBIQPCUGITSIA-ABKXIKBNSA-N 0 0 335.360 2.605 10 5 EFBERN C[C@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001355108076 1334700006 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EFBERN CC[C@H]1CN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848479941 1334737676 /nfs/dbraw/zinc/73/76/76/1334737676.db2.gz CZYIAHPIVNHTNS-JKSUJKDBSA-N 0 0 349.456 2.696 10 5 EFBERN CC[C@@H]1CN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848479938 1334737852 /nfs/dbraw/zinc/73/78/52/1334737852.db2.gz CZYIAHPIVNHTNS-CVEARBPZSA-N 0 0 349.456 2.696 10 5 EFBERN COc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC001355324400 1334740751 /nfs/dbraw/zinc/74/07/51/1334740751.db2.gz AGYIBLOUUSVCBA-UHFFFAOYSA-N 0 0 335.747 2.924 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(OC(F)F)nc1 ZINC001355324591 1334740901 /nfs/dbraw/zinc/74/09/01/1334740901.db2.gz DJXPLZNZSPYTEM-UHFFFAOYSA-N 0 0 337.282 2.863 10 5 EFBERN C[C@@H]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1F ZINC000848483562 1334741010 /nfs/dbraw/zinc/74/10/10/1334741010.db2.gz JZERMOJKLVHSMN-KCXAZCMYSA-N 0 0 335.379 2.548 10 5 EFBERN C[C@@H]1CN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@H](C)[C@@H](C)O1 ZINC000848485436 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EFBERN Nc1nccc(C(=O)OC[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000848787879 1334899078 /nfs/dbraw/zinc/89/90/78/1334899078.db2.gz UDKVPBGOPODQQD-NSHDSACASA-N 0 0 327.340 2.534 10 5 EFBERN CNc1nccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)c1[N+](=O)[O-] ZINC000848789372 1334899090 /nfs/dbraw/zinc/89/90/90/1334899090.db2.gz CPLHSYHUIDEBKT-MRVPVSSYSA-N 0 0 349.347 2.630 10 5 EFBERN O=C1O[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000848791462 1334900403 /nfs/dbraw/zinc/90/04/03/1334900403.db2.gz QAGYOHCZFNXPTL-QMMMGPOBSA-N 0 0 329.715 2.782 10 5 EFBERN CNc1nccc(C(=O)O[C@@H](C)C(=O)C2CCCCC2)c1[N+](=O)[O-] ZINC000848790893 1334900505 /nfs/dbraw/zinc/90/05/05/1334900505.db2.gz SVPITUSJSBDQAE-JTQLQIEISA-N 0 0 335.360 2.726 10 5 EFBERN Cc1cc(NC[C@H]2CN(C3CC3)C(=O)O2)c(Cl)cc1[N+](=O)[O-] ZINC000848792423 1334901173 /nfs/dbraw/zinc/90/11/73/1334901173.db2.gz BWGXQFHFJCHAED-JTQLQIEISA-N 0 0 325.752 2.952 10 5 EFBERN O=C1O[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)CN1C1CC1 ZINC000848794087 1334902529 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CN(C)C(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC001438114228 1388361521 /nfs/dbraw/zinc/36/15/21/1388361521.db2.gz ZOGBSHFIRNTDAV-UHFFFAOYSA-N 0 0 337.332 2.750 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001438125707 1388366742 /nfs/dbraw/zinc/36/67/42/1388366742.db2.gz DWLLKJIDKAGWFL-VIFPVBQESA-N 0 0 327.296 2.933 10 5 EFBERN O=C(OCc1coc(C2CC2)n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001438364954 1388536766 /nfs/dbraw/zinc/53/67/66/1388536766.db2.gz QTJAEMAPOWYDCQ-UHFFFAOYSA-N 0 0 332.268 2.546 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001438405545 1388565067 /nfs/dbraw/zinc/56/50/67/1388565067.db2.gz XHJMKOKEEFANQH-QWHCGFSZSA-N 0 0 333.325 2.850 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCOc3c(OC)cccc32)n1 ZINC001438507374 1388645733 /nfs/dbraw/zinc/64/57/33/1388645733.db2.gz JLHYAFNEFLFYAD-GFCCVEGCSA-N 0 0 347.327 2.500 10 5 EFBERN Cc1c(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)cccc1[N+](=O)[O-] ZINC001438542159 1388664470 /nfs/dbraw/zinc/66/44/70/1388664470.db2.gz HQOAXNPCGOKCAF-GFCCVEGCSA-N 0 0 340.335 2.667 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC001438795385 1388819722 /nfs/dbraw/zinc/81/97/22/1388819722.db2.gz JEKKJVBNSMIUSR-GFCCVEGCSA-N 0 0 329.312 2.503 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1cc(F)c(F)cc1F ZINC001438799023 1388821791 /nfs/dbraw/zinc/82/17/91/1388821791.db2.gz GTACBJSBLLSVOU-UHFFFAOYSA-N 0 0 341.245 2.597 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C/SCc1ccco1 ZINC001438798100 1388822263 /nfs/dbraw/zinc/82/22/63/1388822263.db2.gz CPVNVBFNKGUAJW-GQCTYLIASA-N 0 0 335.341 2.977 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001438801885 1388824899 /nfs/dbraw/zinc/82/48/99/1388824899.db2.gz UNEJNVOLXALCAN-VHDGCEQUSA-N 0 0 325.324 2.523 10 5 EFBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1cncs1 ZINC001438911501 1388911039 /nfs/dbraw/zinc/91/10/39/1388911039.db2.gz SWCCOCQRUXATPL-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN Cc1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c(Cl)n1 ZINC001438920521 1388918098 /nfs/dbraw/zinc/91/80/98/1388918098.db2.gz WOGNQWZNHWEULX-UHFFFAOYSA-N 0 0 337.738 2.950 10 5 EFBERN CCNc1ccc(C(=O)N2CCc3cc(F)cnc32)cc1[N+](=O)[O-] ZINC001439001558 1388961223 /nfs/dbraw/zinc/96/12/23/1388961223.db2.gz XJURWDOITAADFI-UHFFFAOYSA-N 0 0 330.319 2.764 10 5 EFBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001439270169 1389087359 /nfs/dbraw/zinc/08/73/59/1389087359.db2.gz DOQKEGWQWLHQLF-GFCCVEGCSA-N 0 0 344.371 2.550 10 5 EFBERN COC(=O)c1c(C)ccc2c1N(C(=O)c1ccc([N+](=O)[O-])o1)CCC2 ZINC001439415209 1389271795 /nfs/dbraw/zinc/27/17/95/1389271795.db2.gz QBRWMBMQSNHSBX-UHFFFAOYSA-N 0 0 344.323 2.876 10 5 EFBERN O=C(NCCCc1ccsc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001440185129 1389423489 /nfs/dbraw/zinc/42/34/89/1389423489.db2.gz JCDWYCTVCWQBPJ-UHFFFAOYSA-N 0 0 330.369 2.895 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001440215171 1389444079 /nfs/dbraw/zinc/44/40/79/1389444079.db2.gz WJVLFELQLJKKNQ-UONOGXRCSA-N 0 0 348.399 2.982 10 5 EFBERN COc1ccc(CSCC(=O)Nc2nccnc2C)cc1[N+](=O)[O-] ZINC001440233311 1389463041 /nfs/dbraw/zinc/46/30/41/1389463041.db2.gz AATSTIPTFVUILF-UHFFFAOYSA-N 0 0 348.384 2.574 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)Cc1nccn1C(F)F ZINC001440307988 1389519522 /nfs/dbraw/zinc/51/95/22/1389519522.db2.gz RNGIJXPGNQSNBB-UHFFFAOYSA-N 0 0 342.277 2.906 10 5 EFBERN CC(C)(O)[C@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001440569803 1389754587 /nfs/dbraw/zinc/75/45/87/1389754587.db2.gz XXNSWPAPIUUOBZ-OAHLLOKOSA-N 0 0 330.340 2.752 10 5 EFBERN CCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001440591122 1389763054 /nfs/dbraw/zinc/76/30/54/1389763054.db2.gz MTNHMWNSZUVCDE-UHFFFAOYSA-N 0 0 343.339 2.996 10 5 EFBERN COc1ccc([C@@H](C)N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001441017913 1391035032 /nfs/dbraw/zinc/03/50/32/1391035032.db2.gz XSZQSGAZDYYJHL-MRVPVSSYSA-N 0 0 338.751 2.813 10 5 EFBERN CCOc1ncccc1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001441043076 1391056936 /nfs/dbraw/zinc/05/69/36/1391056936.db2.gz ARBJHJCPHHVDCK-UHFFFAOYSA-N 0 0 335.747 2.972 10 5 EFBERN Nc1c(Br)cc(C(=O)NCC2CCCC2)cc1[N+](=O)[O-] ZINC001441253570 1391211364 /nfs/dbraw/zinc/21/13/64/1391211364.db2.gz SXTTUMAXTCWTOE-UHFFFAOYSA-N 0 0 342.193 2.860 10 5 EFBERN Nc1ncc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC001441396983 1391282225 /nfs/dbraw/zinc/28/22/25/1391282225.db2.gz IYVGQGOVXYXILC-CQSZACIVSA-N 0 0 341.371 2.725 10 5 EFBERN Nc1ncc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC001441396981 1391282437 /nfs/dbraw/zinc/28/24/37/1391282437.db2.gz IYVGQGOVXYXILC-AWEZNQCLSA-N 0 0 341.371 2.725 10 5 EFBERN CCOc1cc(C)ccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001441824965 1391420834 /nfs/dbraw/zinc/42/08/34/1391420834.db2.gz SOYKYHLROMTKHM-MRXNPFEDSA-N 0 0 330.340 2.974 10 5 EFBERN C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001444557754 1391508039 /nfs/dbraw/zinc/50/80/39/1391508039.db2.gz BZJCRRLBZHGNFA-GFCCVEGCSA-N 0 0 332.331 2.757 10 5 EFBERN C[C@H](c1ccccc1)N(CCO)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001446922009 1391636905 /nfs/dbraw/zinc/63/69/05/1391636905.db2.gz LZODMLQBAKGJOF-CQSZACIVSA-N 0 0 328.368 2.719 10 5 EFBERN Nc1ncc(C(=O)NCCCCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001448021187 1391902006 /nfs/dbraw/zinc/90/20/06/1391902006.db2.gz GWKUPCNXXDFFBK-UHFFFAOYSA-N 0 0 346.362 2.854 10 5 EFBERN C[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccccn1 ZINC001448233953 1392039415 /nfs/dbraw/zinc/03/94/15/1392039415.db2.gz BAFDXUJDZFBXKL-LLVKDONJSA-N 0 0 337.339 2.871 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)nc1N ZINC001449224839 1392257953 /nfs/dbraw/zinc/25/79/53/1392257953.db2.gz MOQKHISIZUKLOE-UHFFFAOYSA-N 0 0 334.763 2.540 10 5 EFBERN CO[C@H]([C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001449661810 1392283837 /nfs/dbraw/zinc/28/38/37/1392283837.db2.gz YGVZWLPYERHTFX-DAZKTRTLSA-N 0 0 345.758 2.513 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2nc[nH]c2n1 ZINC001449903715 1392431056 /nfs/dbraw/zinc/43/10/56/1392431056.db2.gz POWQQVZZQCGQBW-UHFFFAOYSA-N 0 0 340.343 2.939 10 5 EFBERN CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1O ZINC001450606737 1392662055 /nfs/dbraw/zinc/66/20/55/1392662055.db2.gz JNHFTLNIZRXEMF-UHFFFAOYSA-N 0 0 348.286 2.660 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC001450641073 1392675894 /nfs/dbraw/zinc/67/58/94/1392675894.db2.gz XNVYULWSCKLOFP-UHFFFAOYSA-N 0 0 330.275 2.877 10 5 EFBERN O=C(NCc1ccc(C2CC2)cc1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001450751370 1392731013 /nfs/dbraw/zinc/73/10/13/1392731013.db2.gz QVNFGHJAAFGRGF-UHFFFAOYSA-N 0 0 338.726 2.918 10 5 EFBERN COC(=O)c1cc(C)cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001450774392 1392744662 /nfs/dbraw/zinc/74/46/62/1392744662.db2.gz ZCRGVCXVPBRVIT-UHFFFAOYSA-N 0 0 329.312 2.524 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(Nc2ccc(F)cc2)C1 ZINC001454559369 1393060105 /nfs/dbraw/zinc/06/01/05/1393060105.db2.gz ZGAYMMGGPPNSBB-UHFFFAOYSA-N 0 0 329.331 2.979 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2occc2C(C)C)cc1[N+](=O)[O-] ZINC001454646494 1393082124 /nfs/dbraw/zinc/08/21/24/1393082124.db2.gz LUMDXXVEDDINCN-UHFFFAOYSA-N 0 0 346.339 2.933 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C=C(C)c2ccco2)cc1[N+](=O)[O-] ZINC001454646484 1393082309 /nfs/dbraw/zinc/08/23/09/1393082309.db2.gz LNIDLCGSBFYJNN-DHZHZOJOSA-N 0 0 344.323 2.599 10 5 EFBERN Nc1c(C(=O)Nc2ccnn2-c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001454919825 1394400774 /nfs/dbraw/zinc/40/07/74/1394400774.db2.gz HJJMRIAXWQJSLH-UHFFFAOYSA-N 0 0 341.302 2.754 10 5 EFBERN C[C@H](C(=O)NCc1cc(C(F)(F)F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001455059009 1394539412 /nfs/dbraw/zinc/53/94/12/1394539412.db2.gz WXGLIUSMBDSXDU-QMMMGPOBSA-N 0 0 342.277 2.757 10 5 EFBERN Cc1nc2c(s1)[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CCC2 ZINC001546069517 1394570665 /nfs/dbraw/zinc/57/06/65/1394570665.db2.gz OHFHVPFWWPQKRW-SSDOTTSWSA-N 0 0 341.780 2.544 10 5 EFBERN CCCc1n[nH]c(C(=O)NCC[C@@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC001455202603 1394579007 /nfs/dbraw/zinc/57/90/07/1394579007.db2.gz CDVHXTDWUWCBKP-VIFPVBQESA-N 0 0 330.335 2.826 10 5 EFBERN CCCCO[C@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455676180 1394637399 /nfs/dbraw/zinc/63/73/99/1394637399.db2.gz GCFYPIRXVCTLCP-GFCCVEGCSA-N 0 0 348.403 2.725 10 5 EFBERN O=CNc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001456334665 1394669330 /nfs/dbraw/zinc/66/93/30/1394669330.db2.gz QXVYVGLUUYFWIY-HZPDHXFCSA-N 0 0 325.324 2.905 10 5 EFBERN CC(C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ncon1 ZINC001456354444 1394674644 /nfs/dbraw/zinc/67/46/44/1394674644.db2.gz QFPZGQPPXKYHPP-UHFFFAOYSA-N 0 0 332.341 2.858 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(C(=O)N(C)C)c2)c1C ZINC001456502263 1394702771 /nfs/dbraw/zinc/70/27/71/1394702771.db2.gz UHURITDDRJGGRG-UHFFFAOYSA-N 0 0 342.355 2.561 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCc2ccccc2C1 ZINC001456629359 1394735464 /nfs/dbraw/zinc/73/54/64/1394735464.db2.gz HEWCXPPHQVYSKI-AWEZNQCLSA-N 0 0 325.368 2.854 10 5 EFBERN CCNc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cn1 ZINC001456635563 1394736548 /nfs/dbraw/zinc/73/65/48/1394736548.db2.gz BUDHALSQBVCWBZ-UHFFFAOYSA-N 0 0 329.360 2.862 10 5 EFBERN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001456870976 1394844349 /nfs/dbraw/zinc/84/43/49/1394844349.db2.gz UARVPMLHUYWENH-QWHCGFSZSA-N 0 0 345.403 2.789 10 5 EFBERN Cc1ncccc1CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001456919301 1394868807 /nfs/dbraw/zinc/86/88/07/1394868807.db2.gz VUJRTYFACWTZHQ-UHFFFAOYSA-N 0 0 333.775 2.853 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC[C@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC001457049336 1394943037 /nfs/dbraw/zinc/94/30/37/1394943037.db2.gz YOLJRRTYNPJXGB-SNVBAGLBSA-N 0 0 349.416 2.603 10 5 EFBERN COc1cc(OCC(=O)N[C@H](C)c2ncccc2C)ccc1[N+](=O)[O-] ZINC001457137100 1394995350 /nfs/dbraw/zinc/99/53/50/1394995350.db2.gz LAEXYNWAJWKEIN-GFCCVEGCSA-N 0 0 345.355 2.563 10 5 EFBERN COc1ccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001457187160 1395025206 /nfs/dbraw/zinc/02/52/06/1395025206.db2.gz AZTFNJPLOXOOEO-GFCCVEGCSA-N 0 0 345.355 2.504 10 5 EFBERN Cn1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C(F)F)n1 ZINC001457376540 1395088839 /nfs/dbraw/zinc/08/88/39/1395088839.db2.gz MUTDSFJVVIUSNP-UHFFFAOYSA-N 0 0 335.270 3.000 10 5 EFBERN C[C@H](Cc1cccs1)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001457431883 1395112129 /nfs/dbraw/zinc/11/21/29/1395112129.db2.gz ZCOLEQMMUUDCON-LLVKDONJSA-N 0 0 336.417 2.678 10 5 EFBERN Cc1cc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001457431503 1395112242 /nfs/dbraw/zinc/11/22/42/1395112242.db2.gz UXPBWRTWEFLFQP-UHFFFAOYSA-N 0 0 347.415 2.718 10 5 EFBERN O=C(NN1CCc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1Cl ZINC001546092153 1395229724 /nfs/dbraw/zinc/22/97/24/1395229724.db2.gz KJJUOOCLAYADCA-UHFFFAOYSA-N 0 0 345.742 2.592 10 5 EFBERN Cc1cnc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC001457611076 1395247251 /nfs/dbraw/zinc/24/72/51/1395247251.db2.gz HKVWRHIVMBQROJ-UHFFFAOYSA-N 0 0 338.327 2.644 10 5 EFBERN C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001457814992 1395343836 /nfs/dbraw/zinc/34/38/36/1395343836.db2.gz MOTJVLOIJXTCGU-RYUDHWBXSA-N 0 0 343.383 2.875 10 5 EFBERN Cc1sc(C(N)=O)cc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001457916261 1395385393 /nfs/dbraw/zinc/38/53/93/1395385393.db2.gz SYQASUCPRXVFSP-UHFFFAOYSA-N 0 0 333.369 2.933 10 5 EFBERN O=C(N[C@@H](CO)CCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001458021662 1395397171 /nfs/dbraw/zinc/39/71/71/1395397171.db2.gz CXFUUCDWWQXBHC-CQSZACIVSA-N 0 0 348.786 2.972 10 5 EFBERN CCCNC(=O)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001458115977 1395409658 /nfs/dbraw/zinc/40/96/58/1395409658.db2.gz DSIFXWHCIKJJRC-UHFFFAOYSA-N 0 0 336.779 2.547 10 5 EFBERN COCCn1cc(Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cn1 ZINC001458118664 1395409752 /nfs/dbraw/zinc/40/97/52/1395409752.db2.gz BXQKRSVCRQQLSJ-UHFFFAOYSA-N 0 0 347.762 2.805 10 5 EFBERN Cc1ccc(OC[C@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001458134264 1395412480 /nfs/dbraw/zinc/41/24/80/1395412480.db2.gz FPEULVQTKGAJBZ-LBPRGKRZSA-N 0 0 329.356 2.882 10 5 EFBERN CC(C)c1cnc(Sc2nccc(C(N)=O)c2[N+](=O)[O-])n1C1CC1 ZINC001458196168 1395423381 /nfs/dbraw/zinc/42/33/81/1395423381.db2.gz USLCRPNNUTYCCU-UHFFFAOYSA-N 0 0 347.400 2.895 10 5 EFBERN NC(=O)c1cc(N[C@H]2COc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC001458251296 1395431428 /nfs/dbraw/zinc/43/14/28/1395431428.db2.gz KYZSEYDCICINOA-LBPRGKRZSA-N 0 0 333.731 2.893 10 5 EFBERN CC(C)COC1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001458254336 1395432563 /nfs/dbraw/zinc/43/25/63/1395432563.db2.gz NLEJLWNIACWTMT-UHFFFAOYSA-N 0 0 346.343 2.912 10 5 EFBERN CC1CCC2(CC1)OC[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])O2 ZINC001458285908 1395438514 /nfs/dbraw/zinc/43/85/14/1395438514.db2.gz KTDNDLJZDRSGJX-VTWZXRTESA-N 0 0 341.795 2.799 10 5 EFBERN Cc1c(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cnn1C ZINC001458297721 1395440952 /nfs/dbraw/zinc/44/09/52/1395440952.db2.gz ZHRROCGLFOMVMY-UHFFFAOYSA-N 0 0 331.763 2.872 10 5 EFBERN COC(=O)c1coc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001458296331 1395440964 /nfs/dbraw/zinc/44/09/64/1395440964.db2.gz OXOHTBGJIBZDLA-XQRVVYSFSA-N 0 0 330.296 2.935 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CCCn2ccnc2)cc1C ZINC001458302149 1395441791 /nfs/dbraw/zinc/44/17/91/1395441791.db2.gz YMYZLNIWTAEJBR-UHFFFAOYSA-N 0 0 346.387 2.803 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1Cc2cccc(O)c2C1 ZINC001458325605 1395447093 /nfs/dbraw/zinc/44/70/93/1395447093.db2.gz HDBFCSONOOIMHP-GFCCVEGCSA-N 0 0 339.326 2.989 10 5 EFBERN CN(CCOc1ccc(C(F)(F)F)cc1)c1nn(C)cc1[N+](=O)[O-] ZINC001458323648 1395447274 /nfs/dbraw/zinc/44/72/74/1395447274.db2.gz BLONVSUZZRBIBG-UHFFFAOYSA-N 0 0 344.293 2.862 10 5 EFBERN C[C@H](CNC(=O)OC(C)(C)C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC001458335300 1395449319 /nfs/dbraw/zinc/44/93/19/1395449319.db2.gz CQXNHXUAVMJIND-SECBINFHSA-N 0 0 343.355 2.551 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC001458399318 1395460129 /nfs/dbraw/zinc/46/01/29/1395460129.db2.gz JQWDEKOUYFBRAC-WMLDXEAASA-N 0 0 348.399 2.899 10 5 EFBERN CC(C)[C@@]1(C)C[C@@H]1Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC001458418414 1395463896 /nfs/dbraw/zinc/46/38/96/1395463896.db2.gz FYUIMJDLGAEIIF-LSDHHAIUSA-N 0 0 341.433 2.692 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3C[C@H](O)C[C@@H]3c3ccccc3)c2c1 ZINC001458434838 1395466952 /nfs/dbraw/zinc/46/69/52/1395466952.db2.gz OASGJKYORLYQBF-RHSMWYFYSA-N 0 0 336.351 2.850 10 5 EFBERN COc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)CCC2 ZINC001458443524 1395468858 /nfs/dbraw/zinc/46/88/58/1395468858.db2.gz FTEIULCGCRSNPF-OAHLLOKOSA-N 0 0 329.356 2.749 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2ccc3[nH]cnc3c2)c1[N+](=O)[O-] ZINC001458487318 1395480670 /nfs/dbraw/zinc/48/06/70/1395480670.db2.gz BIEKDJAQHSZYTQ-UHFFFAOYSA-N 0 0 341.327 2.573 10 5 EFBERN COC(=O)/C=C/c1ccc(Nc2cnn(CCF)c2)c([N+](=O)[O-])c1 ZINC001458490684 1395481153 /nfs/dbraw/zinc/48/11/53/1395481153.db2.gz VIWYXYZFDOMUKA-HWKANZROSA-N 0 0 334.307 2.691 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccncc2[N+](=O)[O-])CC1 ZINC001458511533 1395485823 /nfs/dbraw/zinc/48/58/23/1395485823.db2.gz DTJBOOGYMIAYCA-HAQNSBGRSA-N 0 0 336.392 2.660 10 5 EFBERN CS(C)(=O)=NC(=O)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001458526768 1395488212 /nfs/dbraw/zinc/48/82/12/1395488212.db2.gz BKSMNLDOKBZPQL-UHFFFAOYSA-N 0 0 340.188 2.568 10 5 EFBERN C[C@@H]1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)CN1C(=O)OC(C)(C)C ZINC001458525148 1395488782 /nfs/dbraw/zinc/48/87/82/1395488782.db2.gz HNROVMXLTNLHAN-MNOVXSKESA-N 0 0 339.396 2.528 10 5 EFBERN C[C@H]1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)CN1C(=O)OC(C)(C)C ZINC001458525150 1395489221 /nfs/dbraw/zinc/48/92/21/1395489221.db2.gz HNROVMXLTNLHAN-QWRGUYRKSA-N 0 0 339.396 2.528 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC001458543837 1395494446 /nfs/dbraw/zinc/49/44/46/1395494446.db2.gz BCSINIGOGFWMGT-UHFFFAOYSA-N 0 0 342.355 2.632 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2ccc(O)c(CO)c2)c2ccccc21 ZINC001458562982 1395499066 /nfs/dbraw/zinc/49/90/66/1395499066.db2.gz HUPRGVVPCYZFNN-UHFFFAOYSA-N 0 0 339.351 2.996 10 5 EFBERN NC(=O)c1cc(NC[C@@H]2CCC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC001458581083 1395509322 /nfs/dbraw/zinc/50/93/22/1395509322.db2.gz OOKHMWSFTHCFDU-JOYOIKCWSA-N 0 0 347.293 2.606 10 5 EFBERN CC[C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)C(=O)OC(C)(C)C ZINC001458621280 1395524603 /nfs/dbraw/zinc/52/46/03/1395524603.db2.gz PHJKGAOJXOUSPK-LLVKDONJSA-N 0 0 326.397 2.899 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NCc3nc4c(s3)COCC4)c2c1 ZINC001458633824 1395530348 /nfs/dbraw/zinc/53/03/48/1395530348.db2.gz RUGPYDONWRVILF-UHFFFAOYSA-N 0 0 343.368 2.679 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H](c2ncccn2)C2CC2)s1 ZINC001458637218 1395531965 /nfs/dbraw/zinc/53/19/65/1395531965.db2.gz XNBQYNSBZWWAAI-LLVKDONJSA-N 0 0 328.357 2.953 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NCCc1nc2c(s1)COCC2 ZINC001458670541 1395545535 /nfs/dbraw/zinc/54/55/35/1395545535.db2.gz SLZJZNDJIMPOTI-UHFFFAOYSA-N 0 0 340.792 2.827 10 5 EFBERN Nc1nc(N[C@@H](Cc2ccccc2)c2ccccn2)ncc1[N+](=O)[O-] ZINC001458683777 1395548744 /nfs/dbraw/zinc/54/87/44/1395548744.db2.gz WHJBASQAQIJRQU-AWEZNQCLSA-N 0 0 336.355 2.758 10 5 EFBERN COC(=O)c1ccnc(N2CCc3cc(F)cc(F)c3C2)c1[N+](=O)[O-] ZINC001458723051 1395563084 /nfs/dbraw/zinc/56/30/84/1395563084.db2.gz DEHSDRTURGHOQM-UHFFFAOYSA-N 0 0 349.293 2.617 10 5 EFBERN CCOC(=O)CCCCCS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001458832369 1395613508 /nfs/dbraw/zinc/61/35/08/1395613508.db2.gz BCFFDWCKKDUVMD-UHFFFAOYSA-N 0 0 343.401 2.800 10 5 EFBERN Cc1cc(OCc2nnc(-c3ccccc3[N+](=O)[O-])o2)nnc1C ZINC001458941189 1395650394 /nfs/dbraw/zinc/65/03/94/1395650394.db2.gz PBBODDHPMXLDTM-UHFFFAOYSA-N 0 0 327.300 2.631 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1Cn1nnnc1/C=C/c1ccccc1 ZINC001458991229 1395668453 /nfs/dbraw/zinc/66/84/53/1395668453.db2.gz CFFUTOTUEBSQON-RMKNXTFCSA-N 0 0 325.303 2.939 10 5 EFBERN CO[C@H](C)[C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001459005872 1395673345 /nfs/dbraw/zinc/67/33/45/1395673345.db2.gz GFDVHMFPIMOXKV-NWDGAFQWSA-N 0 0 329.356 2.810 10 5 EFBERN Cc1cccnc1NC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001459015960 1395678108 /nfs/dbraw/zinc/67/81/08/1395678108.db2.gz JRANFWXQRHVQOM-UHFFFAOYSA-N 0 0 337.339 2.800 10 5 EFBERN COc1ccccc1OCCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001459061407 1395695593 /nfs/dbraw/zinc/69/55/93/1395695593.db2.gz YKLAFHJIHCTDSL-UHFFFAOYSA-N 0 0 330.296 2.590 10 5 EFBERN COc1ccc2c(c1)on(CCOc1ccc([N+](=O)[O-])cc1)c2=O ZINC001459068174 1395697564 /nfs/dbraw/zinc/69/75/64/1395697564.db2.gz DINYDUWHJVEVDV-UHFFFAOYSA-N 0 0 330.296 2.590 10 5 EFBERN O=c1cc2c(nn1Cc1ccc([N+](=O)[O-])cc1F)-c1ccccc1C2 ZINC001459074813 1395698450 /nfs/dbraw/zinc/69/84/50/1395698450.db2.gz FQDLADXXOFEHJZ-UHFFFAOYSA-N 0 0 337.310 2.910 10 5 EFBERN O=C(Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001459100325 1395711876 /nfs/dbraw/zinc/71/18/76/1395711876.db2.gz QEIUBOSJTRMSKD-UHFFFAOYSA-N 0 0 344.205 2.601 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2coc(-c3ccc(F)cc3)n2)c1=O ZINC001459212500 1395757026 /nfs/dbraw/zinc/75/70/26/1395757026.db2.gz SUULUEYTJAFRHO-UHFFFAOYSA-N 0 0 345.286 2.608 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC001459294655 1395790474 /nfs/dbraw/zinc/79/04/74/1395790474.db2.gz HAQVKZJZIRKMBI-UHFFFAOYSA-N 0 0 343.368 2.633 10 5 EFBERN COc1ccc2cc(C(=O)Nc3c([N+](=O)[O-])cnn3C)sc2c1 ZINC001459295286 1395790532 /nfs/dbraw/zinc/79/05/32/1395790532.db2.gz CDWYWJZZGGCRRK-UHFFFAOYSA-N 0 0 332.341 2.804 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)CCc1ccc(Cl)c(F)c1 ZINC001459298468 1395791053 /nfs/dbraw/zinc/79/10/53/1395791053.db2.gz MNLGFIKGWQYZRF-UHFFFAOYSA-N 0 0 326.715 2.692 10 5 EFBERN CC(C)c1nc([C@@H]2CCCCN2Cc2cn(C)nc2[N+](=O)[O-])no1 ZINC001459605946 1395966225 /nfs/dbraw/zinc/96/62/25/1395966225.db2.gz RGNHUABXJJFVTO-LBPRGKRZSA-N 0 0 334.380 2.562 10 5 EFBERN CCN(Cc1onc(C)c1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC001459627988 1395971293 /nfs/dbraw/zinc/97/12/93/1395971293.db2.gz QACLVSBJJNOZCU-OAHLLOKOSA-N 0 0 333.388 2.971 10 5 EFBERN Cc1conc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001459744802 1395980185 /nfs/dbraw/zinc/98/01/85/1395980185.db2.gz ZWKYPEZLHZKAHU-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001459793617 1395983886 /nfs/dbraw/zinc/98/38/86/1395983886.db2.gz BLBLSXLAUQJUTM-UHFFFAOYSA-N 0 0 345.359 2.673 10 5 EFBERN COc1cc(C(=O)Nc2ccc3c(n2)CCCC3=O)ccc1[N+](=O)[O-] ZINC001460091626 1396004199 /nfs/dbraw/zinc/00/41/99/1396004199.db2.gz FICCUHFQGCAAKH-UHFFFAOYSA-N 0 0 341.323 2.770 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(F)cc1C(N)=O ZINC001460159910 1396008206 /nfs/dbraw/zinc/00/82/06/1396008206.db2.gz OFPFDMBSXSJHTQ-UHFFFAOYSA-N 0 0 335.266 2.533 10 5 EFBERN O=C(Nc1ccc2c(n1)CCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001460156187 1396008304 /nfs/dbraw/zinc/00/83/04/1396008304.db2.gz ZSEURBJOJHRYFA-UHFFFAOYSA-N 0 0 349.350 2.917 10 5 EFBERN CCC1(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCCC1 ZINC001460230797 1396013908 /nfs/dbraw/zinc/01/39/08/1396013908.db2.gz DJVQLYIIECISCR-HNNXBMFYSA-N 0 0 331.372 2.927 10 5 EFBERN CN(CCc1ccc([N+](=O)[O-])cc1)[C@H](c1nc[nH]n1)c1ccccc1 ZINC001460219608 1396013964 /nfs/dbraw/zinc/01/39/64/1396013964.db2.gz UNAUQYNXLJRKPV-KRWDZBQOSA-N 0 0 337.383 2.977 10 5 EFBERN COC(=O)[C@@H](Cc1ccccc1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC001460312703 1396023902 /nfs/dbraw/zinc/02/39/02/1396023902.db2.gz YWQHPLVJVKTQGK-OAHLLOKOSA-N 0 0 332.331 2.608 10 5 EFBERN O=C(Nc1ccnn1-c1ccccn1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001460310852 1396024478 /nfs/dbraw/zinc/02/44/78/1396024478.db2.gz IEGAEIHFNYEQKX-HUUCEWRRSA-N 0 0 349.350 2.918 10 5 EFBERN O=C(NC(CF)CF)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460328008 1396026366 /nfs/dbraw/zinc/02/63/66/1396026366.db2.gz QQXORHUCLTYXTJ-UHFFFAOYSA-N 0 0 327.312 2.756 10 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/nfs/dbraw/zinc/22/09/83/1396220983.db2.gz VENDLAFLCNIYEH-UHFFFAOYSA-N 0 0 349.350 2.640 10 5 EFBERN C[C@@]1(CO)CN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC001460574508 1396223041 /nfs/dbraw/zinc/22/30/41/1396223041.db2.gz DYGWLRPSYWLETQ-SFHVURJKSA-N 0 0 328.368 2.787 10 5 EFBERN CCOC(=O)[C@H](Cc1ccccc1)NCc1cc(F)ccc1[N+](=O)[O-] ZINC001460597825 1396237101 /nfs/dbraw/zinc/23/71/01/1396237101.db2.gz UAWGJKLGGVGZML-INIZCTEOSA-N 0 0 346.358 2.998 10 5 EFBERN C[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccccc1[N+](=O)[O-] ZINC001460723226 1396246831 /nfs/dbraw/zinc/24/68/31/1396246831.db2.gz XXUUEEZKOBDUQT-SNVBAGLBSA-N 0 0 334.763 2.933 10 5 EFBERN COC1(c2nccn2C)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001460746198 1396249483 /nfs/dbraw/zinc/24/94/83/1396249483.db2.gz ANJMTLHAQNDCKW-UHFFFAOYSA-N 0 0 348.378 2.605 10 5 EFBERN CN1C(=O)CC[C@H](NC(=O)c2c3ccccc3cc3ccccc32)C1=O ZINC001461068634 1396286836 /nfs/dbraw/zinc/28/68/36/1396286836.db2.gz IWUMPTFTVNZBID-KRWDZBQOSA-N 0 0 346.386 2.870 10 5 EFBERN CCc1ccc(C(=O)Nc2ccc(C)cc2C(N)=O)cc1[N+](=O)[O-] ZINC001461132311 1396291869 /nfs/dbraw/zinc/29/18/69/1396291869.db2.gz GFWUENSBZLIIQV-UHFFFAOYSA-N 0 0 327.340 2.817 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCOc2cc(F)c(F)cc21 ZINC001461297423 1396369183 /nfs/dbraw/zinc/36/91/83/1396369183.db2.gz XZPZQNZOFCOOLS-UHFFFAOYSA-N 0 0 334.278 2.841 10 5 EFBERN CC(=O)N[C@@](C)(C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])C(C)C ZINC001461451009 1396381061 /nfs/dbraw/zinc/38/10/61/1396381061.db2.gz MFMFYONFSYROKS-QGZVFWFLSA-N 0 0 344.371 2.632 10 5 EFBERN Cc1n[nH]c(=O)c(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c1C ZINC001461453266 1396381489 /nfs/dbraw/zinc/38/14/89/1396381489.db2.gz NOJXFRNARXZFKE-UHFFFAOYSA-N 0 0 339.311 2.508 10 5 EFBERN CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001461451633 1396381675 /nfs/dbraw/zinc/38/16/75/1396381675.db2.gz FSSNIVOVABNBQK-BONVTDFDSA-N 0 0 344.371 2.632 10 5 EFBERN COc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC001461505869 1396384968 /nfs/dbraw/zinc/38/49/68/1396384968.db2.gz VLCQEBUNHAKOSC-UHFFFAOYSA-N 0 0 346.299 2.776 10 5 EFBERN Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(N(C)C)nn1 ZINC001461545830 1396388766 /nfs/dbraw/zinc/38/87/66/1396388766.db2.gz ZRIOMAMJOXNCRX-UHFFFAOYSA-N 0 0 335.751 2.665 10 5 EFBERN C[C@H](Oc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001461708479 1396400841 /nfs/dbraw/zinc/40/08/41/1396400841.db2.gz WMCNKLDDMZRNGH-NSHDSACASA-N 0 0 338.323 2.944 10 5 EFBERN CN(C)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001461890961 1396410903 /nfs/dbraw/zinc/41/09/03/1396410903.db2.gz XCBXLCZOQYEQGQ-UHFFFAOYSA-N 0 0 331.303 2.688 10 5 EFBERN COC(C)(C)c1nsc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC001462060329 1396417974 /nfs/dbraw/zinc/41/79/74/1396417974.db2.gz MYJGOYXMUOBCKR-UHFFFAOYSA-N 0 0 336.373 2.889 10 5 EFBERN COc1cnc(F)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC001462121324 1396421517 /nfs/dbraw/zinc/42/15/17/1396421517.db2.gz GPVPSJFAPWXTJM-UHFFFAOYSA-N 0 0 334.307 2.578 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(C)ccc2cnccc21 ZINC001462167902 1396424524 /nfs/dbraw/zinc/42/45/24/1396424524.db2.gz FWYGIIFXOMMHBO-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN Cn1c(=O)c2ccccc2n1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001462207593 1396427226 /nfs/dbraw/zinc/42/72/26/1396427226.db2.gz INJBSLGLKYFTDD-UHFFFAOYSA-N 0 0 337.291 2.683 10 5 EFBERN Cc1cccc(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)c1[N+](=O)[O-] ZINC001462224813 1396428376 /nfs/dbraw/zinc/42/83/76/1396428376.db2.gz VJRLEEVWZDGSQN-LBPRGKRZSA-N 0 0 340.335 2.667 10 5 EFBERN Cc1[nH]nc2nc(C)cc(C(=O)NCc3ccc(C)c([N+](=O)[O-])c3)c12 ZINC001462250492 1396429632 /nfs/dbraw/zinc/42/96/32/1396429632.db2.gz DYGVNCZWYDWFHW-UHFFFAOYSA-N 0 0 339.355 2.721 10 5 EFBERN Cc1ccc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)cc1[N+](=O)[O-] ZINC001462250361 1396429665 /nfs/dbraw/zinc/42/96/65/1396429665.db2.gz CSNZINKSYQSWHK-MRXNPFEDSA-N 0 0 330.315 2.662 10 5 EFBERN O=C(NCCC[C@@H]1C=CCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001462568571 1396443036 /nfs/dbraw/zinc/44/30/36/1396443036.db2.gz IFPZVGDBGUCZFU-DYVFJYSZSA-N 0 0 343.383 2.950 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001462723799 1396449898 /nfs/dbraw/zinc/44/98/98/1396449898.db2.gz ZZQWRQBKRBCPBX-LLVKDONJSA-N 0 0 329.312 2.923 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC1(C2CC2)CCC1 ZINC001462729705 1396450364 /nfs/dbraw/zinc/45/03/64/1396450364.db2.gz GLFRPTKRUFQAES-UHFFFAOYSA-N 0 0 333.344 2.885 10 5 EFBERN COC(=O)c1coc(/C=C\C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001462747212 1396451416 /nfs/dbraw/zinc/45/14/16/1396451416.db2.gz PQNCAFUCFIEMGB-TVRMLOFPSA-N 0 0 344.323 2.865 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001462759424 1396452151 /nfs/dbraw/zinc/45/21/51/1396452151.db2.gz RAQAETBZBHPUMM-YOEHRIQHSA-N 0 0 330.315 2.725 10 5 EFBERN COc1cc(C(=O)N=[S@@](C)(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC001462868310 1396456209 /nfs/dbraw/zinc/45/62/09/1396456209.db2.gz GFYYYDBFAHHKKM-QHCPKHFHSA-N 0 0 344.389 2.649 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N=[S@](C)(=O)c2cccc(F)c2)n1 ZINC001462885733 1396458496 /nfs/dbraw/zinc/45/84/96/1396458496.db2.gz VESMAQUICUEXRE-HSZRJFAPSA-N 0 0 337.332 2.734 10 5 EFBERN CC(C)c1cncnc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001462916961 1396461252 /nfs/dbraw/zinc/46/12/52/1396461252.db2.gz XWWDSDVMYRQSJW-UHFFFAOYSA-N 0 0 326.316 2.637 10 5 EFBERN O=C(Nc1n[nH]c(-c2ccco2)n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001462925559 1396462321 /nfs/dbraw/zinc/46/23/21/1396462321.db2.gz QZAUGBSQZNJSGD-UHFFFAOYSA-N 0 0 335.226 2.503 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cccc(C3CC3)c2)ccc1[N+](=O)[O-] ZINC001463025273 1396467476 /nfs/dbraw/zinc/46/74/76/1396467476.db2.gz KGWWAZOWJMRYKP-UHFFFAOYSA-N 0 0 325.324 2.823 10 5 EFBERN Cn1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC001463030547 1396468285 /nfs/dbraw/zinc/46/82/85/1396468285.db2.gz IVBORYPWVQIFLI-UHFFFAOYSA-N 0 0 328.250 2.528 10 5 EFBERN C[C@@H](CC(N)=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001463089782 1396471720 /nfs/dbraw/zinc/47/17/20/1396471720.db2.gz RTPNXVOOLVDAJU-NSHDSACASA-N 0 0 327.340 2.826 10 5 EFBERN C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001463090567 1396472644 /nfs/dbraw/zinc/47/26/44/1396472644.db2.gz PPBYPRCORKENBP-SMDDNHRTSA-N 0 0 345.355 2.968 10 5 EFBERN COc1c(F)nccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001463246603 1396480121 /nfs/dbraw/zinc/48/01/21/1396480121.db2.gz NUTGGRIZOSCBAC-UHFFFAOYSA-N 0 0 346.318 2.964 10 5 EFBERN Cc1noc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001463514517 1396497954 /nfs/dbraw/zinc/49/79/54/1396497954.db2.gz NKZRFGCFTRVAOF-RRFJBIMHSA-N 0 0 344.371 2.903 10 5 EFBERN Nc1ncc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC001463541316 1396500982 /nfs/dbraw/zinc/50/09/82/1396500982.db2.gz ODHXPQYXAJGUCW-UHFFFAOYSA-N 0 0 341.371 2.815 10 5 EFBERN Cc1c(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cccc1[N+](=O)[O-] ZINC001463565874 1396503055 /nfs/dbraw/zinc/50/30/55/1396503055.db2.gz DCOZZWMOOVMXAN-HNNXBMFYSA-N 0 0 329.360 2.645 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CSCCSC1 ZINC001463667461 1396511693 /nfs/dbraw/zinc/51/16/93/1396511693.db2.gz NECHUYSAVJXIRH-UHFFFAOYSA-N 0 0 341.458 2.929 10 5 EFBERN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001463666609 1396511734 /nfs/dbraw/zinc/51/17/34/1396511734.db2.gz QUCAQNUVQQKMII-GWCFXTLKSA-N 0 0 335.360 2.694 10 5 EFBERN Cc1ccc(CCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(C)c1 ZINC001463747966 1396518100 /nfs/dbraw/zinc/51/81/00/1396518100.db2.gz PMZFMRMPKFKOMP-UHFFFAOYSA-N 0 0 336.779 2.951 10 5 EFBERN Cc1ccc(NC(=O)[C@H](C)N2CSCCSC2)cc1[N+](=O)[O-] ZINC001463847023 1396525133 /nfs/dbraw/zinc/52/51/33/1396525133.db2.gz PFZLPRUFPFIUJA-NSHDSACASA-N 0 0 341.458 2.927 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCn2c3ccccc3nc21 ZINC001464014751 1396538953 /nfs/dbraw/zinc/53/89/53/1396538953.db2.gz LFZBYSUMOVWWDJ-UHFFFAOYSA-N 0 0 340.314 2.673 10 5 EFBERN CC1(C)CC[C@@H](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)OC1 ZINC001464097305 1396545969 /nfs/dbraw/zinc/54/59/69/1396545969.db2.gz BUWIRSMYOQHEOM-HNNXBMFYSA-N 0 0 335.404 2.718 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ncc1F ZINC001464100616 1396546780 /nfs/dbraw/zinc/54/67/80/1396546780.db2.gz QOSHGTQRSNXIFU-UHFFFAOYSA-N 0 0 338.726 2.624 10 5 EFBERN CO[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001464101691 1396546935 /nfs/dbraw/zinc/54/69/35/1396546935.db2.gz WHKVFFROINUVPW-MRXNPFEDSA-N 0 0 347.346 2.650 10 5 EFBERN CO[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001464101685 1396546972 /nfs/dbraw/zinc/54/69/72/1396546972.db2.gz WHKVFFROINUVPW-INIZCTEOSA-N 0 0 347.346 2.650 10 5 EFBERN COCCOc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001464133244 1396549304 /nfs/dbraw/zinc/54/93/04/1396549304.db2.gz XFILBGJFWKAQMU-UHFFFAOYSA-N 0 0 348.330 2.940 10 5 EFBERN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC001464153626 1396551743 /nfs/dbraw/zinc/55/17/43/1396551743.db2.gz BEQCVPRKZHWYCI-OAHLLOKOSA-N 0 0 340.314 2.976 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1CO ZINC001464397789 1396572512 /nfs/dbraw/zinc/57/25/12/1396572512.db2.gz LUVXRZLTBSEEBY-UHFFFAOYSA-N 0 0 340.335 2.806 10 5 EFBERN Cc1cccc(C(C)(C)CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001464581204 1396587557 /nfs/dbraw/zinc/58/75/57/1396587557.db2.gz WYVDTIIPBSWSTL-UHFFFAOYSA-N 0 0 336.779 2.987 10 5 EFBERN Cc1occc1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001464604880 1396589586 /nfs/dbraw/zinc/58/95/86/1396589586.db2.gz MIYXCRFOJJFNPU-UHFFFAOYSA-N 0 0 341.323 2.740 10 5 EFBERN C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)c1cccnc1 ZINC001465094714 1396648872 /nfs/dbraw/zinc/64/88/72/1396648872.db2.gz SBKSOYVZMUYOEL-NSHDSACASA-N 0 0 343.339 2.642 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC001465200151 1396658915 /nfs/dbraw/zinc/65/89/15/1396658915.db2.gz ZQUXMNAQQIMWBH-UHFFFAOYSA-N 0 0 329.287 2.789 10 5 EFBERN O=C([C@@H]1CCC=CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001465444380 1396681912 /nfs/dbraw/zinc/68/19/12/1396681912.db2.gz ALNLKZHKEQDDSQ-INIZCTEOSA-N 0 0 332.356 2.657 10 5 EFBERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001465478691 1396685195 /nfs/dbraw/zinc/68/51/95/1396685195.db2.gz WHXRNLRFRUHNJX-OAHLLOKOSA-N 0 0 342.399 2.974 10 5 EFBERN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)no1 ZINC001465617092 1396697023 /nfs/dbraw/zinc/69/70/23/1396697023.db2.gz CGXPWQHXNBMZAP-NSHDSACASA-N 0 0 333.348 2.797 10 5 EFBERN CCC(CC)(CCO)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001465831264 1396714636 /nfs/dbraw/zinc/71/46/36/1396714636.db2.gz KYMFBMWKMCAPDM-UHFFFAOYSA-N 0 0 326.368 2.961 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F ZINC001465914932 1396722779 /nfs/dbraw/zinc/72/27/79/1396722779.db2.gz CEUSFWQLROQDEW-ZBFHGGJFSA-N 0 0 347.346 2.558 10 5 EFBERN COc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1O ZINC001465978991 1396728177 /nfs/dbraw/zinc/72/81/77/1396728177.db2.gz NNZWMPXJXVORQH-UHFFFAOYSA-N 0 0 330.340 2.856 10 5 EFBERN O=Cc1ccc(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001466056507 1396734163 /nfs/dbraw/zinc/73/41/63/1396734163.db2.gz MOPIKWYXCOCJNV-UHFFFAOYSA-N 0 0 332.743 2.920 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC(=O)c2cccs2)c1F ZINC001466117356 1396739204 /nfs/dbraw/zinc/73/92/04/1396739204.db2.gz HCWXEFLEQWKTLY-UHFFFAOYSA-N 0 0 340.307 2.856 10 5 EFBERN COc1ccnc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC001466301897 1396746767 /nfs/dbraw/zinc/74/67/67/1396746767.db2.gz FSNDXYJZMCQLHD-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)c1cccc(O)c1 ZINC001466355286 1396750265 /nfs/dbraw/zinc/75/02/65/1396750265.db2.gz VKFRJPBUWBQOGH-UHFFFAOYSA-N 0 0 344.367 2.903 10 5 EFBERN O=C(Cc1ccnc(F)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001466441370 1396753110 /nfs/dbraw/zinc/75/31/10/1396753110.db2.gz NQYSMXLJVNVNCZ-UHFFFAOYSA-N 0 0 337.738 2.684 10 5 EFBERN CC(C)(C)C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C(F)(F)F ZINC001466488443 1396756189 /nfs/dbraw/zinc/75/61/89/1396756189.db2.gz HKGWXJGAOVYFSF-VIFPVBQESA-N 0 0 334.298 2.669 10 5 EFBERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc2c(c1)CCC2 ZINC001466588516 1396763719 /nfs/dbraw/zinc/76/37/19/1396763719.db2.gz FFWXHFBGANPLIB-MRVPVSSYSA-N 0 0 334.763 2.951 10 5 EFBERN CO/C(=C/c1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001466595386 1396763852 /nfs/dbraw/zinc/76/38/52/1396763852.db2.gz QLDOKHDCTGCKST-GHRIWEEISA-N 0 0 326.352 2.941 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1C ZINC001466642629 1396767318 /nfs/dbraw/zinc/76/73/18/1396767318.db2.gz KEJMDPFEOAPMCA-NSHDSACASA-N 0 0 331.376 2.944 10 5 EFBERN CC(C)[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001466717356 1396777444 /nfs/dbraw/zinc/77/74/44/1396777444.db2.gz XXGKCSAOBQNNOL-CYBMUJFWSA-N 0 0 341.358 2.676 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2c1OCC[C@@H]2O ZINC001466726761 1396778487 /nfs/dbraw/zinc/77/84/87/1396778487.db2.gz KMYAKZGRGJRHQV-HNNXBMFYSA-N 0 0 346.314 2.731 10 5 EFBERN COCCC(C)(C)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001466798381 1396787011 /nfs/dbraw/zinc/78/70/11/1396787011.db2.gz ZGFMDRNYBSSWML-UHFFFAOYSA-N 0 0 328.796 2.970 10 5 EFBERN CC1(C)CCC[C@@](O)(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001466903212 1396795758 /nfs/dbraw/zinc/79/57/58/1396795758.db2.gz MKPQHWAKISMXQQ-SFHVURJKSA-N 0 0 348.399 2.516 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001467377114 1396847872 /nfs/dbraw/zinc/84/78/72/1396847872.db2.gz MJTZMQGLJRQEDL-UHFFFAOYSA-N 0 0 342.351 2.928 10 5 EFBERN COc1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)cc1C ZINC001467453032 1396857866 /nfs/dbraw/zinc/85/78/66/1396857866.db2.gz RYQBFKGZHCCOFB-MRXNPFEDSA-N 0 0 330.340 2.892 10 5 EFBERN CC(C)(C)CC[C@H](CO)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001467489802 1396861046 /nfs/dbraw/zinc/86/10/46/1396861046.db2.gz XEMYUGRYMPKSJZ-CQSZACIVSA-N 0 0 340.395 2.970 10 5 EFBERN C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1ncccc1F ZINC001467627079 1396876987 /nfs/dbraw/zinc/87/69/87/1396876987.db2.gz PFFHTLMJKRJIQB-LLVKDONJSA-N 0 0 345.330 2.969 10 5 EFBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ncccc1F ZINC001467626686 1396877519 /nfs/dbraw/zinc/87/75/19/1396877519.db2.gz CUBDSQMZFKCROO-SECBINFHSA-N 0 0 337.282 2.524 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCOC)cc1 ZINC001467624241 1396877856 /nfs/dbraw/zinc/87/78/56/1396877856.db2.gz ODCXZIWAFZPTSZ-UHFFFAOYSA-N 0 0 331.328 2.872 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2cn[nH]c2)cc1 ZINC001467660913 1396882027 /nfs/dbraw/zinc/88/20/27/1396882027.db2.gz DRYMKIDXOHXXOS-UHFFFAOYSA-N 0 0 336.351 2.957 10 5 EFBERN CC(C)c1cccc2c1CCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)C2 ZINC001467748223 1396890991 /nfs/dbraw/zinc/89/09/91/1396890991.db2.gz ISRQINOHNIDBHB-UHFFFAOYSA-N 0 0 340.383 2.894 10 5 EFBERN O=C(N[C@H]1CCCc2ccc(F)cc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001467775473 1396894803 /nfs/dbraw/zinc/89/48/03/1396894803.db2.gz DPVCIKHRGFOTHB-JTQLQIEISA-N 0 0 338.726 2.918 10 5 EFBERN CNc1nccc(C(=O)N(C)c2ccc3cc[nH]c3c2)c1[N+](=O)[O-] ZINC001467782905 1396896555 /nfs/dbraw/zinc/89/65/55/1396896555.db2.gz KYORNPCCFRULGH-UHFFFAOYSA-N 0 0 325.328 2.789 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001467873238 1396905320 /nfs/dbraw/zinc/90/53/20/1396905320.db2.gz PUQMQUZSHACOFG-UHFFFAOYSA-N 0 0 330.315 2.732 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c(N)ncnc3c1)CC2 ZINC001546166033 1396921510 /nfs/dbraw/zinc/92/15/10/1396921510.db2.gz FVOUNICPDJNBNK-UHFFFAOYSA-N 0 0 349.350 2.632 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(F)(F)F)n1 ZINC001468209718 1396933443 /nfs/dbraw/zinc/93/34/43/1396933443.db2.gz ZIMWGBXFUCVKMX-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN Cc1nocc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001468474834 1396961109 /nfs/dbraw/zinc/96/11/09/1396961109.db2.gz YWZXIHBRAYSTEH-SECBINFHSA-N 0 0 339.735 2.628 10 5 EFBERN Cc1nocc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001468474835 1396961357 /nfs/dbraw/zinc/96/13/57/1396961357.db2.gz YWZXIHBRAYSTEH-VIFPVBQESA-N 0 0 339.735 2.628 10 5 EFBERN CNc1c(C(=O)NCc2nc3ccccc3o2)cccc1[N+](=O)[O-] ZINC001468554828 1396966802 /nfs/dbraw/zinc/96/68/02/1396966802.db2.gz LAQJTJZMMDCKNV-UHFFFAOYSA-N 0 0 326.312 2.708 10 5 EFBERN CNc1c(C(=O)NCc2cc(F)cnc2Cl)cccc1[N+](=O)[O-] ZINC001468551627 1396967102 /nfs/dbraw/zinc/96/71/02/1396967102.db2.gz MADILWMLBIQIQU-UHFFFAOYSA-N 0 0 338.726 2.754 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(C)=O)c1O ZINC001468601139 1396970525 /nfs/dbraw/zinc/97/05/25/1396970525.db2.gz KUFXUMXYVPNGKG-UHFFFAOYSA-N 0 0 329.312 2.797 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2[nH]c(=O)[nH]c21 ZINC001468617067 1396973174 /nfs/dbraw/zinc/97/31/74/1396973174.db2.gz KGNAGVJUBKEQSD-UHFFFAOYSA-N 0 0 342.311 2.584 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ncc(C(C)(C)O)s1 ZINC001468621934 1396973291 /nfs/dbraw/zinc/97/32/91/1396973291.db2.gz LFOGUGSGNDXKEL-UHFFFAOYSA-N 0 0 339.348 2.979 10 5 EFBERN Nc1nccc(C(=O)NCc2ccc3sccc3c2)c1[N+](=O)[O-] ZINC001468684695 1396979229 /nfs/dbraw/zinc/97/92/29/1396979229.db2.gz MFJUHTQWIOXRME-UHFFFAOYSA-N 0 0 328.353 2.717 10 5 EFBERN Nc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC001468691942 1396980415 /nfs/dbraw/zinc/98/04/15/1396980415.db2.gz KKVYUCDEAYTMQN-UHFFFAOYSA-N 0 0 343.368 2.784 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001469618680 1397043929 /nfs/dbraw/zinc/04/39/29/1397043929.db2.gz QJRIRBYKZRBUKV-CQSZACIVSA-N 0 0 337.395 2.845 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@@H]1CO ZINC001469985273 1397063231 /nfs/dbraw/zinc/06/32/31/1397063231.db2.gz YLBCWXBFPQWYPI-GFCCVEGCSA-N 0 0 330.315 2.606 10 5 EFBERN Cc1cc(Cl)c(C(=O)Nc2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC001470162776 1397078251 /nfs/dbraw/zinc/07/82/51/1397078251.db2.gz OBYYFSBODLKVBX-UHFFFAOYSA-N 0 0 326.715 2.975 10 5 EFBERN Cn1cc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)nn1 ZINC001470311595 1397085739 /nfs/dbraw/zinc/08/57/39/1397085739.db2.gz GSZQNGGFMZGFMV-UHFFFAOYSA-N 0 0 341.302 2.782 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCc3nc(F)ccc32)c1F ZINC001470574611 1397099725 /nfs/dbraw/zinc/09/97/25/1397099725.db2.gz XGRCKKYEAWIYIA-UHFFFAOYSA-N 0 0 337.257 2.918 10 5 EFBERN COc1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)cn1 ZINC001470809215 1397123746 /nfs/dbraw/zinc/12/37/46/1397123746.db2.gz QYZWJYOTZGVIHE-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN Cc1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC001471121376 1397142785 /nfs/dbraw/zinc/14/27/85/1397142785.db2.gz FLLMPCCNDQVVFN-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC001471136321 1397144057 /nfs/dbraw/zinc/14/40/57/1397144057.db2.gz OIOLHCZLFCBFQJ-NSHDSACASA-N 0 0 331.376 2.624 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCSCCC(F)(F)F ZINC001471186238 1397148829 /nfs/dbraw/zinc/14/88/29/1397148829.db2.gz FGKHPRBYFAPOKS-UHFFFAOYSA-N 0 0 337.323 2.592 10 5 EFBERN Cc1ccc(CNC(=O)c2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001471243250 1397153935 /nfs/dbraw/zinc/15/39/35/1397153935.db2.gz PYGPPPJNISAMQM-UHFFFAOYSA-N 0 0 328.353 2.838 10 5 EFBERN COC(=O)c1coc(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001471320829 1397160379 /nfs/dbraw/zinc/16/03/79/1397160379.db2.gz HLDPFUNFWUBOFN-SNVBAGLBSA-N 0 0 347.327 2.535 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001471361760 1397164614 /nfs/dbraw/zinc/16/46/14/1397164614.db2.gz VDRHEAAIXDKESR-XEZPLFJOSA-N 0 0 332.404 2.742 10 5 EFBERN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC001471452670 1397172571 /nfs/dbraw/zinc/17/25/71/1397172571.db2.gz CPWOUFBLVODAIC-INIZCTEOSA-N 0 0 342.351 2.751 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccncc1Br ZINC001471704760 1397199943 /nfs/dbraw/zinc/19/99/43/1397199943.db2.gz ZQZQLBAYGCKQQU-ZETCQYMHSA-N 0 0 339.149 2.571 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001471714599 1397200421 /nfs/dbraw/zinc/20/04/21/1397200421.db2.gz MDSXODBGJAUMPJ-ZDUSSCGKSA-N 0 0 343.387 2.763 10 5 EFBERN O=C(Nc1cnc2[nH]ccc2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001471782752 1397205972 /nfs/dbraw/zinc/20/59/72/1397205972.db2.gz NIGNXFZRKUYBAV-UHFFFAOYSA-N 0 0 348.322 2.861 10 5 EFBERN C[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001471800995 1397208673 /nfs/dbraw/zinc/20/86/73/1397208673.db2.gz VFIOAHNZPVDGTM-QVQLBTGDSA-N 0 0 332.381 2.823 10 5 EFBERN COc1cccc2c(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)cnn21 ZINC001471800108 1397208958 /nfs/dbraw/zinc/20/89/58/1397208958.db2.gz AIMUGLIOVSMBLY-LLVKDONJSA-N 0 0 340.339 2.742 10 5 EFBERN O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1cc(F)ccc1[N+](=O)[O-] ZINC001471829894 1397213101 /nfs/dbraw/zinc/21/31/01/1397213101.db2.gz ANCJNAUQZXTAPC-WFASDCNBSA-N 0 0 334.278 2.936 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1c(F)cc(Br)cc1F ZINC001471841906 1397214471 /nfs/dbraw/zinc/21/44/71/1397214471.db2.gz PTTQCPOQUNOGMP-UHFFFAOYSA-N 0 0 347.075 2.611 10 5 EFBERN CCc1sc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cc1Br ZINC001471840798 1397214708 /nfs/dbraw/zinc/21/47/08/1397214708.db2.gz HVLZYINJXWRVDY-UHFFFAOYSA-N 0 0 345.178 2.957 10 5 EFBERN C[S@@](=O)(=NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001471988031 1397231493 /nfs/dbraw/zinc/23/14/93/1397231493.db2.gz FXHHNDHJKUYQCW-PSLXWICFSA-N 0 0 340.401 2.585 10 5 EFBERN CCOC(=O)[C@@](C)(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC(C)C ZINC001472003499 1397232744 /nfs/dbraw/zinc/23/27/44/1397232744.db2.gz JEOZOEXHXLRCDI-MRXNPFEDSA-N 0 0 330.425 2.554 10 5 EFBERN CCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC001472007117 1397233749 /nfs/dbraw/zinc/23/37/49/1397233749.db2.gz QMDYQPDGUVJRQL-UHFFFAOYSA-N 0 0 342.779 2.591 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1cc(F)cc(F)c1 ZINC001472046338 1397238921 /nfs/dbraw/zinc/23/89/21/1397238921.db2.gz AVDSRMGYSMDORF-UTCJRWHESA-N 0 0 346.289 2.885 10 5 EFBERN Nc1ccc(C(=O)NCC[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001472072209 1397243666 /nfs/dbraw/zinc/24/36/66/1397243666.db2.gz HHMTXMRMEZCNLT-KRWDZBQOSA-N 0 0 341.367 2.611 10 5 EFBERN O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cc([N+](=O)[O-])ccc1F ZINC001472068685 1397244118 /nfs/dbraw/zinc/24/41/18/1397244118.db2.gz MEYDZJZVSXEHHH-CVEARBPZSA-N 0 0 330.315 2.512 10 5 EFBERN Cc1oncc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001472096023 1397246637 /nfs/dbraw/zinc/24/66/37/1397246637.db2.gz MRUGVIZMQZCBAV-SECBINFHSA-N 0 0 339.735 2.628 10 5 EFBERN CNc1ccc(C(=O)N2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC001472418834 1397258872 /nfs/dbraw/zinc/25/88/72/1397258872.db2.gz KCYWYRAPDZTMTJ-UHFFFAOYSA-N 0 0 327.340 2.541 10 5 EFBERN CCN(CC)C(=O)CN(C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001472635670 1397264734 /nfs/dbraw/zinc/26/47/34/1397264734.db2.gz ZJHQXFIKOZTHBI-UHFFFAOYSA-N 0 0 333.310 2.918 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)Cn2cccn2)cc1C ZINC001472654096 1397266408 /nfs/dbraw/zinc/26/64/08/1397266408.db2.gz KMNKVWBBGRGFPL-GFCCVEGCSA-N 0 0 332.360 2.777 10 5 EFBERN COc1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1OC(F)F ZINC001472654541 1397266492 /nfs/dbraw/zinc/26/64/92/1397266492.db2.gz HCQIZZQPJHGLIR-UHFFFAOYSA-N 0 0 341.270 2.918 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)Cn2cccn2)cc1C ZINC001472654097 1397266540 /nfs/dbraw/zinc/26/65/40/1397266540.db2.gz KMNKVWBBGRGFPL-LBPRGKRZSA-N 0 0 332.360 2.777 10 5 EFBERN Cc1cc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2C(F)F)no1 ZINC001472656567 1397266640 /nfs/dbraw/zinc/26/66/40/1397266640.db2.gz UZMBSCYMJHETJL-UHFFFAOYSA-N 0 0 340.286 2.904 10 5 EFBERN CC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1noc(C)n1 ZINC001472718415 1397267040 /nfs/dbraw/zinc/26/70/40/1397267040.db2.gz ANQLAVXBSSVSIS-LURJTMIESA-N 0 0 334.258 2.602 10 5 EFBERN CC[C@@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1noc(C)n1 ZINC001472718681 1397267615 /nfs/dbraw/zinc/26/76/15/1397267615.db2.gz JBYFBZNTILRNCX-LLVKDONJSA-N 0 0 343.343 2.701 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N(CCCO)Cc3ccccc3)nc2c1 ZINC001472727775 1397268317 /nfs/dbraw/zinc/26/83/17/1397268317.db2.gz BMUYYDQBMHMYLM-UHFFFAOYSA-N 0 0 326.356 2.860 10 5 EFBERN Cc1csc(NC(=O)CSc2ncc([N+](=O)[O-])cc2F)n1 ZINC001472767824 1397269454 /nfs/dbraw/zinc/26/94/54/1397269454.db2.gz QQIVEIPUVKJMFE-UHFFFAOYSA-N 0 0 328.350 2.625 10 5 EFBERN O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC001472984499 1397276658 /nfs/dbraw/zinc/27/66/58/1397276658.db2.gz MOOKPWPPYZELBJ-UHFFFAOYSA-N 0 0 343.274 2.949 10 5 EFBERN C[C@@H]1C[C@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C[C@H](C)O1 ZINC001473006888 1397277321 /nfs/dbraw/zinc/27/73/21/1397277321.db2.gz BERGTDMCXJCIHM-GDNZZTSVSA-N 0 0 333.344 2.615 10 5 EFBERN O=[N+]([O-])c1ccc(SC[C@H](O)c2cc(Br)no2)nc1 ZINC001473009134 1397277967 /nfs/dbraw/zinc/27/79/67/1397277967.db2.gz UJPDPVBMEWYCIA-ZETCQYMHSA-N 0 0 346.162 2.566 10 5 EFBERN Cc1ccc(C(=O)Cn2cnc3sc([N+](=O)[O-])cc3c2=O)s1 ZINC001473029561 1397278714 /nfs/dbraw/zinc/27/87/14/1397278714.db2.gz QQPOJWGDPUOCON-UHFFFAOYSA-N 0 0 335.366 2.619 10 5 EFBERN O=c1ccc(-c2ccccn2)nn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001473063821 1397279535 /nfs/dbraw/zinc/27/95/35/1397279535.db2.gz CNTLADZNEGYVQC-UHFFFAOYSA-N 0 0 342.742 2.915 10 5 EFBERN O=C(CCn1ccnc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC001473074197 1397280245 /nfs/dbraw/zinc/28/02/45/1397280245.db2.gz PEYFXAWEJZHRLG-UHFFFAOYSA-N 0 0 328.250 2.839 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2ccc(F)c3cccnc23)c1=O ZINC001473069561 1397280388 /nfs/dbraw/zinc/28/03/88/1397280388.db2.gz VAIBYROBXVNTAD-UHFFFAOYSA-N 0 0 329.287 2.501 10 5 EFBERN CC(=O)N(c1nc(Cn2ccnc2[N+](=O)[O-])cs1)c1ccccc1 ZINC001473075555 1397280777 /nfs/dbraw/zinc/28/07/77/1397280777.db2.gz OFJKWHXAEJYMRR-UHFFFAOYSA-N 0 0 343.368 2.981 10 5 EFBERN O=[N+]([O-])c1nc(Br)n(Cc2ccc(OC(F)F)cc2)n1 ZINC001473075658 1397281013 /nfs/dbraw/zinc/28/10/13/1397281013.db2.gz BOMQRNMPSSGVMK-UHFFFAOYSA-N 0 0 349.091 2.599 10 5 EFBERN Cc1cc(C(=O)Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)ccc1F ZINC001473095739 1397281965 /nfs/dbraw/zinc/28/19/65/1397281965.db2.gz PUKGODOPCATCOE-UHFFFAOYSA-N 0 0 341.302 2.579 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnn(C[C@H]2CCCC23CCOCC3)n1 ZINC001473095099 1397282108 /nfs/dbraw/zinc/28/21/08/1397282108.db2.gz ARAOFKFDJHLOMG-CYBMUJFWSA-N 0 0 343.387 2.845 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(CO)cs1 ZINC001473092781 1397282214 /nfs/dbraw/zinc/28/22/14/1397282214.db2.gz ACXJQWCEMKRTIX-UHFFFAOYSA-N 0 0 339.398 2.583 10 5 EFBERN CC(C)Cn1ncnc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001473100402 1397282732 /nfs/dbraw/zinc/28/27/32/1397282732.db2.gz UVWIJAPTUFTTOU-UHFFFAOYSA-N 0 0 326.360 2.754 10 5 EFBERN CO[C@@H](C)c1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001546195739 1397287713 /nfs/dbraw/zinc/28/77/13/1397287713.db2.gz NQUHBVDJYOYZIS-ZBEGNZNMSA-N 0 0 330.340 2.974 10 5 EFBERN CCOC(=O)[C@H](C)N(CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001473389007 1397299392 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EFBERN CC(=O)CCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001475435312 1397426363 /nfs/dbraw/zinc/42/63/63/1397426363.db2.gz MPSPYDIMZVYIHJ-UHFFFAOYSA-N 0 0 342.417 2.721 10 5 EFBERN CC(C)c1nc(CCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cs1 ZINC001546212871 1397504068 /nfs/dbraw/zinc/50/40/68/1397504068.db2.gz APLYGXFOGOTNOB-UHFFFAOYSA-N 0 0 343.796 2.524 10 5 EFBERN Cc1cc(N(C)CCNC(=O)COc2ccsc2)ccc1[N+](=O)[O-] ZINC001478259937 1397570421 /nfs/dbraw/zinc/57/04/21/1397570421.db2.gz FILJWGPPDNEWRG-UHFFFAOYSA-N 0 0 349.412 2.596 10 5 EFBERN CCCc1cc(C(=O)NCCN(C)c2ccc([N+](=O)[O-])c(C)c2)no1 ZINC001478265791 1397572490 /nfs/dbraw/zinc/57/24/90/1397572490.db2.gz UXISNRASAQWASQ-UHFFFAOYSA-N 0 0 346.387 2.710 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001479296735 1397669819 /nfs/dbraw/zinc/66/98/19/1397669819.db2.gz KAPKXDOFOQPFPB-ZTFRIQLXSA-N 0 0 347.415 2.752 10 5 EFBERN Cc1nnc([C@@H]2CCCN(C(=O)c3c(C)ccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC001546225367 1397706734 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CN(C(=O)CCC1CCC1)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001499649229 1402734920 /nfs/dbraw/zinc/73/49/20/1402734920.db2.gz GJWDEHPMRIFKQW-UHFFFAOYSA-N 0 0 331.416 2.818 10 5 EFBERN CC(C)(F)C(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001508188079 1407333116 /nfs/dbraw/zinc/33/31/16/1407333116.db2.gz NNBNJDCLLIBZMX-UHFFFAOYSA-N 0 0 335.379 2.591 10 5 EFBERN C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC001546293552 1404532905 /nfs/dbraw/zinc/53/29/05/1404532905.db2.gz ZPUFQPGOOLKDAC-LURJTMIESA-N 0 0 326.765 2.778 10 5 EFBERN Cc1n[nH]c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1C(F)(F)F ZINC001556066610 1415050916 /nfs/dbraw/zinc/05/09/16/1415050916.db2.gz SCYIXSMGITWCBE-UHFFFAOYSA-N 0 0 342.277 2.618 10 5 EFBERN O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001556084315 1415052415 /nfs/dbraw/zinc/05/24/15/1415052415.db2.gz KNIXRKIDOIXLMM-SMDDNHRTSA-N 0 0 330.344 2.757 10 5 EFBERN CCn1ncc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1C1CC1 ZINC001556084073 1415052684 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2.814 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1N ZINC001556402746 1415067568 /nfs/dbraw/zinc/06/75/68/1415067568.db2.gz BKJIQLGTZXQBCW-UHFFFAOYSA-N 0 0 343.339 2.833 10 5 EFBERN C=C/C=C/CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001556429462 1415069359 /nfs/dbraw/zinc/06/93/59/1415069359.db2.gz LCUPSDOKWOIBEW-ONEGZZNKSA-N 0 0 341.371 2.589 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc2c1CCCN2 ZINC001556449150 1415069831 /nfs/dbraw/zinc/06/98/31/1415069831.db2.gz WJLIFCLGJKMROD-UHFFFAOYSA-N 0 0 326.356 2.812 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1oc2ccccc2c1CO ZINC001556439143 1415070002 /nfs/dbraw/zinc/07/00/02/1415070002.db2.gz GHJLZIBYXDYCEN-UHFFFAOYSA-N 0 0 340.335 2.806 10 5 EFBERN CC(=O)CCCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001556601785 1415078678 /nfs/dbraw/zinc/07/86/78/1415078678.db2.gz ZFOWYBDUPHSVTC-UHFFFAOYSA-N 0 0 344.371 2.660 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001556617715 1415079987 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EFBERN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ncc[nH]1 ZINC001556763497 1415086880 /nfs/dbraw/zinc/08/68/80/1415086880.db2.gz XRKYLBUZWFHKLA-LLVKDONJSA-N 0 0 332.363 2.895 10 5 EFBERN C[NH+]1CCC2(CCC(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)CC1 ZINC001556768145 1415087827 /nfs/dbraw/zinc/08/78/27/1415087827.db2.gz OONPHKFZDYUXCD-UHFFFAOYSA-N 0 0 347.415 2.685 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(F)(c3ccccc3F)C2)n1 ZINC001556818554 1415090301 /nfs/dbraw/zinc/09/03/01/1415090301.db2.gz QJRMHGXKHKFZGK-UHFFFAOYSA-N 0 0 333.294 2.758 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001556872998 1415092707 /nfs/dbraw/zinc/09/27/07/1415092707.db2.gz JCBIBPZEWIWPQN-HNNXBMFYSA-N 0 0 345.311 2.792 10 5 EFBERN CC1(C)CCc2onc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)c2C1 ZINC001556895051 1415093938 /nfs/dbraw/zinc/09/39/38/1415093938.db2.gz FFOCOPWUJIPARD-UHFFFAOYSA-N 0 0 330.344 2.932 10 5 EFBERN Nc1ccc(NC(=O)Cc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC001556894854 1415094091 /nfs/dbraw/zinc/09/40/91/1415094091.db2.gz WTSJJGGYAAPNLN-UHFFFAOYSA-N 0 0 337.339 2.544 10 5 EFBERN CN(C[C@@](C)(O)c1ccccc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557115468 1415106509 /nfs/dbraw/zinc/10/65/09/1415106509.db2.gz ZODKMSKQMOLZJT-QGZVFWFLSA-N 0 0 332.331 2.714 10 5 EFBERN CSc1cccc(C(=O)NCc2nc(C(F)F)no2)c1[N+](=O)[O-] ZINC001557122579 1415106516 /nfs/dbraw/zinc/10/65/16/1415106516.db2.gz NCNADHPOHQDEHG-UHFFFAOYSA-N 0 0 344.299 2.567 10 5 EFBERN COc1cc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC001557128242 1415106746 /nfs/dbraw/zinc/10/67/46/1415106746.db2.gz NLDYNQHQPSUXRZ-NVXWUHKLSA-N 0 0 330.315 2.971 10 5 EFBERN CCc1csc([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1 ZINC001557138674 1415107588 /nfs/dbraw/zinc/10/75/88/1415107588.db2.gz AQNSUJBEWZVETC-VIFPVBQESA-N 0 0 334.401 2.995 10 5 EFBERN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c(C(N)=O)c1 ZINC001557170094 1415110000 /nfs/dbraw/zinc/11/00/00/1415110000.db2.gz MONULJWAIPCRFR-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)c1ccc(Cl)cn1 ZINC001557171330 1415110017 /nfs/dbraw/zinc/11/00/17/1415110017.db2.gz HYELPGLKRKXGBK-UHFFFAOYSA-N 0 0 349.778 2.760 10 5 EFBERN O=C(Cc1cc(F)ccc1O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001557208611 1415112705 /nfs/dbraw/zinc/11/27/05/1415112705.db2.gz UCKGNBLUGBHSDN-UHFFFAOYSA-N 0 0 340.257 2.577 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC001557208130 1415112795 /nfs/dbraw/zinc/11/27/95/1415112795.db2.gz ILKZMJKETFBQAF-GFCCVEGCSA-N 0 0 344.346 2.731 10 5 EFBERN O=C(Cc1ccc2n[nH]cc2c1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001557208204 1415113040 /nfs/dbraw/zinc/11/30/40/1415113040.db2.gz MEGYHAMLPFHFOJ-UHFFFAOYSA-N 0 0 346.293 2.608 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc(Cl)ncc1F ZINC001557208614 1415113100 /nfs/dbraw/zinc/11/31/00/1415113100.db2.gz UHEJEFWCJFKEJO-UHFFFAOYSA-N 0 0 345.664 2.991 10 5 EFBERN CC(C)c1nc([C@@H](CO)NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC001557265099 1415116596 /nfs/dbraw/zinc/11/65/96/1415116596.db2.gz CQXMOKLYGXMUOL-GFCCVEGCSA-N 0 0 335.385 2.638 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2ccn(-c3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC001557300259 1415119027 /nfs/dbraw/zinc/11/90/27/1415119027.db2.gz ROADKNPQSCDSOO-UHFFFAOYSA-N 0 0 340.343 2.627 10 5 EFBERN COCc1ccnc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC001557323317 1415120153 /nfs/dbraw/zinc/12/01/53/1415120153.db2.gz RQNSDXWDRGAQFB-UHFFFAOYSA-N 0 0 326.312 2.870 10 5 EFBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1CC2CCC1CC2 ZINC001557324614 1415120742 /nfs/dbraw/zinc/12/07/42/1415120742.db2.gz UUPZJMUMHTWSGX-AUXWQGHOSA-N 0 0 326.784 2.916 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F ZINC001557345260 1415121696 /nfs/dbraw/zinc/12/16/96/1415121696.db2.gz RLSKXCDANXLYIG-BJOHPYRUSA-N 0 0 336.294 2.725 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC001557343101 1415121952 /nfs/dbraw/zinc/12/19/52/1415121952.db2.gz ADKHKRANOBDQFE-BJOHPYRUSA-N 0 0 336.294 2.725 10 5 EFBERN COc1ccc(-c2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)on2)cc1 ZINC001557424313 1415124856 /nfs/dbraw/zinc/12/48/56/1415124856.db2.gz HWCHWMXIPNLNFY-UHFFFAOYSA-N 0 0 343.295 2.781 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1NC(=O)C[C@]12CCCC[C@H]2C ZINC001557487384 1415127910 /nfs/dbraw/zinc/12/79/10/1415127910.db2.gz MKVXODFVSYCOIS-DIFFPNOSSA-N 0 0 349.362 2.868 10 5 EFBERN COc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cnc1OC ZINC001557532466 1415130296 /nfs/dbraw/zinc/13/02/96/1415130296.db2.gz OBSSHTIWHYVRRY-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN CCCOc1cncc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC001557547635 1415130778 /nfs/dbraw/zinc/13/07/78/1415130778.db2.gz FDHCHDROHNEMCX-UHFFFAOYSA-N 0 0 334.307 2.752 10 5 EFBERN CC1(C)CCC[C@](CO)(NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001557538341 1415130854 /nfs/dbraw/zinc/13/08/54/1415130854.db2.gz JNLHNXKONDJTIR-SFHVURJKSA-N 0 0 349.431 2.844 10 5 EFBERN O=C(c1nnc(C2CC2)o1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001557579419 1415132638 /nfs/dbraw/zinc/13/26/38/1415132638.db2.gz LOVFOFJDFCQGRM-UHFFFAOYSA-N 0 0 328.328 2.838 10 5 EFBERN O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1cc(F)ccc1[N+](=O)[O-] ZINC001557608184 1415133501 /nfs/dbraw/zinc/13/35/01/1415133501.db2.gz BVNXQSGJKGGXDI-VNQPRFMTSA-N 0 0 330.290 2.941 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001557598678 1415133837 /nfs/dbraw/zinc/13/38/37/1415133837.db2.gz DKWVUHLXOVJVBA-CQSZACIVSA-N 0 0 348.733 2.673 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC[C@@H]1CCCOC1 ZINC001557636139 1415135295 /nfs/dbraw/zinc/13/52/95/1415135295.db2.gz GXEOFTPMHILELL-NSHDSACASA-N 0 0 326.780 2.724 10 5 EFBERN Cc1cccc(C(=O)NCC(=O)c2cccc(F)c2F)c1[N+](=O)[O-] ZINC001557795222 1415146117 /nfs/dbraw/zinc/14/61/17/1415146117.db2.gz TYWYSZQVJJWTOR-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(Cc2nccs2)CC1 ZINC001557851700 1415148249 /nfs/dbraw/zinc/14/82/49/1415148249.db2.gz JFQRIPXUZDQQJP-UHFFFAOYSA-N 0 0 346.412 2.728 10 5 EFBERN CNc1nccc(C(=O)N(C)c2cccc3cc[nH]c32)c1[N+](=O)[O-] ZINC001557874224 1415149204 /nfs/dbraw/zinc/14/92/04/1415149204.db2.gz KDPCVLCMBSHQOH-UHFFFAOYSA-N 0 0 325.328 2.789 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC001557887041 1415150014 /nfs/dbraw/zinc/15/00/14/1415150014.db2.gz YTBKVGVQRGUPMQ-GFCCVEGCSA-N 0 0 332.278 2.539 10 5 EFBERN O=C(N[C@H](CCO)c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001557941419 1415152331 /nfs/dbraw/zinc/15/23/31/1415152331.db2.gz ITNBRECIQDUZFA-GFCCVEGCSA-N 0 0 341.726 2.569 10 5 EFBERN CCON(CC)C(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC001557992788 1415154599 /nfs/dbraw/zinc/15/45/99/1415154599.db2.gz ZSBLRGBJCWKUOH-UHFFFAOYSA-N 0 0 329.740 2.620 10 5 EFBERN CCc1ccc(C(=O)NCc2cc(C(F)(F)F)n[nH]2)cc1[N+](=O)[O-] ZINC001558043343 1415157183 /nfs/dbraw/zinc/15/71/83/1415157183.db2.gz LGNRBTKBEIBACM-UHFFFAOYSA-N 0 0 342.277 2.829 10 5 EFBERN O=C(NOc1ccccc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001558225998 1415167080 /nfs/dbraw/zinc/16/70/80/1415167080.db2.gz KBBZUQJIARYYAB-UHFFFAOYSA-N 0 0 342.286 2.643 10 5 EFBERN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001558303045 1415171282 /nfs/dbraw/zinc/17/12/82/1415171282.db2.gz JVHBGNXSYVBGTH-GHMZBOCLSA-N 0 0 330.388 2.991 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1c2ccccc2OC[C@H]1F ZINC001558326943 1415172534 /nfs/dbraw/zinc/17/25/34/1415172534.db2.gz HWIQHFRQJDSPIW-CZUORRHYSA-N 0 0 348.305 2.864 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001558326944 1415172883 /nfs/dbraw/zinc/17/28/83/1415172883.db2.gz HWIQHFRQJDSPIW-XJKSGUPXSA-N 0 0 348.305 2.864 10 5 EFBERN Cc1csc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c1Br ZINC001558336757 1415175059 /nfs/dbraw/zinc/17/50/59/1415175059.db2.gz OYXZPYOUTRQKDN-UHFFFAOYSA-N 0 0 331.151 2.703 10 5 EFBERN COc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc2ccccc21 ZINC001558509711 1415184413 /nfs/dbraw/zinc/18/44/13/1415184413.db2.gz JFDGOCBMYWPERK-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](c2cnccn2)C1 ZINC001558523458 1415185387 /nfs/dbraw/zinc/18/53/87/1415185387.db2.gz DWVYUPVIKKRXSZ-JTQLQIEISA-N 0 0 332.747 2.668 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](c2cnccn2)C1 ZINC001558523459 1415185596 /nfs/dbraw/zinc/18/55/96/1415185596.db2.gz DWVYUPVIKKRXSZ-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN COc1ccc(C=O)cc1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603123 1415192030 /nfs/dbraw/zinc/19/20/30/1415192030.db2.gz JTTWSQXYUXNWGC-GFCCVEGCSA-N 0 0 342.351 2.949 10 5 EFBERN CCC[C@H](O)CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001558630350 1415193319 /nfs/dbraw/zinc/19/33/19/1415193319.db2.gz FATOIBOWMUDIKD-LBPRGKRZSA-N 0 0 331.372 2.611 10 5 EFBERN CC(C)(C(=O)Nc1cc(F)c(O)cc1Cl)n1cc([N+](=O)[O-])cn1 ZINC001558644030 1415193568 /nfs/dbraw/zinc/19/35/68/1415193568.db2.gz RJYDEQWRVGJBGU-UHFFFAOYSA-N 0 0 342.714 2.663 10 5 EFBERN CCC[C@H](O)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001558629470 1415193581 /nfs/dbraw/zinc/19/35/81/1415193581.db2.gz ALRNPFREVKWVAD-PWSUYJOCSA-N 0 0 344.795 2.683 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c(N)c1[N+](=O)[O-] ZINC001558675742 1415194023 /nfs/dbraw/zinc/19/40/23/1415194023.db2.gz FDTFIYJLWHIORP-QFYYESIMSA-N 0 0 343.339 2.652 10 5 EFBERN Cc1noc2nc(C)cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)c12 ZINC001558676269 1415194056 /nfs/dbraw/zinc/19/40/56/1415194056.db2.gz SYRHYSDYALTJPJ-UHFFFAOYSA-N 0 0 341.327 2.891 10 5 EFBERN Cc1ccc(NC(=O)CC2CCC3(CC2)OCCO3)c(N)c1[N+](=O)[O-] ZINC001558676608 1415194218 /nfs/dbraw/zinc/19/42/18/1415194218.db2.gz IDNPLLVIHXFWMI-UHFFFAOYSA-N 0 0 349.387 2.747 10 5 EFBERN CO[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001558676865 1415194410 /nfs/dbraw/zinc/19/44/10/1415194410.db2.gz UAQKJQSBMWANBT-CQSZACIVSA-N 0 0 329.356 2.682 10 5 EFBERN Cc1ccc(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)c(N)c1[N+](=O)[O-] ZINC001558676882 1415194668 /nfs/dbraw/zinc/19/46/68/1415194668.db2.gz UTHMXMQJQQYQRS-GFCCVEGCSA-N 0 0 349.387 2.792 10 5 EFBERN O=C(Nc1cnc2ccnn2c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001558774979 1415201128 /nfs/dbraw/zinc/20/11/28/1415201128.db2.gz AEHYDVOGWHMWLE-UHFFFAOYSA-N 0 0 335.682 2.682 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CCO)cs1 ZINC001558986344 1415216726 /nfs/dbraw/zinc/21/67/26/1415216726.db2.gz FCFFKGVAYAZSSQ-UHFFFAOYSA-N 0 0 339.398 2.560 10 5 EFBERN CC(C)Oc1nc(Sc2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC001559049839 1415221316 /nfs/dbraw/zinc/22/13/16/1415221316.db2.gz XWLYFIKEBWMBFR-UHFFFAOYSA-N 0 0 331.357 2.971 10 5 EFBERN Cc1cccc(C)c1OCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559070512 1415222968 /nfs/dbraw/zinc/22/29/68/1415222968.db2.gz JAWMBALCXIMGJL-UHFFFAOYSA-N 0 0 329.356 2.801 10 5 EFBERN CC(=O)Nc1cccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001559070359 1415223055 /nfs/dbraw/zinc/22/30/55/1415223055.db2.gz CFKBYVFEPINSDU-UHFFFAOYSA-N 0 0 333.319 2.797 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCCc2c[nH]nc21 ZINC001559133921 1415225825 /nfs/dbraw/zinc/22/58/25/1415225825.db2.gz YZCSWUMVMQHCHF-SSDOTTSWSA-N 0 0 330.270 2.560 10 5 EFBERN CCOc1cccc(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001559143913 1415226511 /nfs/dbraw/zinc/22/65/11/1415226511.db2.gz QPGSOHIZFUOGAB-UHFFFAOYSA-N 0 0 329.356 2.747 10 5 EFBERN O=[N+]([O-])c1cc(I)ccc1Oc1cnccn1 ZINC001559169713 1415228018 /nfs/dbraw/zinc/22/80/18/1415228018.db2.gz UTMWFLGUETWMRU-UHFFFAOYSA-N 0 0 343.080 2.782 10 5 EFBERN COc1ccc(CNc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC001559191532 1415228529 /nfs/dbraw/zinc/22/85/29/1415228529.db2.gz QBODISBICPIOHJ-UHFFFAOYSA-N 0 0 339.149 2.768 10 5 EFBERN CC(=O)N(c1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC001559196891 1415229332 /nfs/dbraw/zinc/22/93/32/1415229332.db2.gz ITNGGYSPQKKSCR-HZMBPMFUSA-N 0 0 329.360 2.833 10 5 EFBERN COC(=O)[C@@H](NCCCNc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC001559198596 1415229399 /nfs/dbraw/zinc/22/93/99/1415229399.db2.gz SWIYOWQZNLAWLP-AWEZNQCLSA-N 0 0 343.811 2.837 10 5 EFBERN COCC[C@H](COC)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559205602 1415229618 /nfs/dbraw/zinc/22/96/18/1415229618.db2.gz YKBNNTSPDLLKJD-LLVKDONJSA-N 0 0 339.779 2.682 10 5 EFBERN CC(C)c1n[nH]c(CC2CCN(c3cccnc3[N+](=O)[O-])CC2)n1 ZINC001559261921 1415234164 /nfs/dbraw/zinc/23/41/64/1415234164.db2.gz SPPIGSUVQMRIID-UHFFFAOYSA-N 0 0 330.392 2.690 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CCC4(CCOCC4)CO3)nc2c1 ZINC001559269755 1415234587 /nfs/dbraw/zinc/23/45/87/1415234587.db2.gz MQXMMBLUPCRGHQ-CYBMUJFWSA-N 0 0 346.387 2.859 10 5 EFBERN Cc1cc(=O)[nH]c(N2CCC[C@H](Nc3ccsc3[N+](=O)[O-])C2)n1 ZINC001559278903 1415235827 /nfs/dbraw/zinc/23/58/27/1415235827.db2.gz WYUXWOCTBCKYHS-JTQLQIEISA-N 0 0 335.389 2.541 10 5 EFBERN COc1ccc(OC)c([C@@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001559273720 1415235894 /nfs/dbraw/zinc/23/58/94/1415235894.db2.gz BENBPMGCVNASAF-GTNSWQLSSA-N 0 0 347.371 2.849 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](O)Cc1ccc(F)cc1 ZINC001559281107 1415236370 /nfs/dbraw/zinc/23/63/70/1415236370.db2.gz IIBUWHKTSKTEFV-AWEZNQCLSA-N 0 0 341.342 2.720 10 5 EFBERN COC(=O)c1cnc(Nc2ccc3c(c2)C[C@@H](C)O3)c([N+](=O)[O-])c1 ZINC001559292441 1415237409 /nfs/dbraw/zinc/23/74/09/1415237409.db2.gz QXMOPODBPAUZHJ-SECBINFHSA-N 0 0 329.312 2.843 10 5 EFBERN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(C(F)(F)F)n[nH]1 ZINC001559288952 1415237513 /nfs/dbraw/zinc/23/75/13/1415237513.db2.gz AGEXUMFWHCUFNQ-RXMQYKEDSA-N 0 0 341.253 2.781 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccc(CCO)cc1 ZINC001559298058 1415237819 /nfs/dbraw/zinc/23/78/19/1415237819.db2.gz FIYLQNPHDISVKQ-UHFFFAOYSA-N 0 0 341.342 2.851 10 5 EFBERN COC(=O)c1ccnc(NCC(C)(C)C2=CCOCC2)c1[N+](=O)[O-] ZINC001559302923 1415237950 /nfs/dbraw/zinc/23/79/50/1415237950.db2.gz YJUJNSDZGIABPH-UHFFFAOYSA-N 0 0 335.360 2.561 10 5 EFBERN Cc1cccnc1[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)(C)C ZINC001559298364 1415238013 /nfs/dbraw/zinc/23/80/13/1415238013.db2.gz QUWACGNZZRQJJS-CQSZACIVSA-N 0 0 343.387 2.991 10 5 EFBERN CCc1nn(C)c(N[C@H]2CC[C@H](c3nccc(=O)[nH]3)CC2)c1[N+](=O)[O-] ZINC001559300861 1415238228 /nfs/dbraw/zinc/23/82/28/1415238228.db2.gz GNFPMXZCSQBCKH-XYPYZODXSA-N 0 0 346.391 2.525 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NCC3(OCCO)CCCCC3)c2c1 ZINC001559295728 1415238298 /nfs/dbraw/zinc/23/82/98/1415238298.db2.gz JLKNLGUJLWYIPU-UHFFFAOYSA-N 0 0 346.387 2.662 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@@H]1COc2ccccc2O1 ZINC001559337527 1415239718 /nfs/dbraw/zinc/23/97/18/1415239718.db2.gz NDXYDIOEAGQLEI-ZDUSSCGKSA-N 0 0 349.364 2.517 10 5 EFBERN O=[N+]([O-])c1ccc(-c2ncn(Cc3cnc4ccccc4n3)n2)cc1 ZINC001559367127 1415241086 /nfs/dbraw/zinc/24/10/86/1415241086.db2.gz XYHURFRPAQXILH-UHFFFAOYSA-N 0 0 332.323 2.845 10 5 EFBERN CC(C)n1ccnc1C(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559366672 1415241265 /nfs/dbraw/zinc/24/12/65/1415241265.db2.gz GKENGKIVWOSEAA-UHFFFAOYSA-N 0 0 340.343 2.514 10 5 EFBERN Cc1nn(CCOc2cccc([N+](=O)[O-])c2)c2ncc([N+](=O)[O-])cc12 ZINC001559377381 1415241931 /nfs/dbraw/zinc/24/19/31/1415241931.db2.gz CPAISOOCKOPOOV-UHFFFAOYSA-N 0 0 343.299 2.635 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559406710 1415243089 /nfs/dbraw/zinc/24/30/89/1415243089.db2.gz BPYFSZAWDXUUOL-UHFFFAOYSA-N 0 0 333.231 2.598 10 5 EFBERN Nc1nc(SCc2ncc(Cl)cc2Cl)ncc1[N+](=O)[O-] ZINC001559415526 1415243961 /nfs/dbraw/zinc/24/39/61/1415243961.db2.gz XAHHNZXQBRDQRL-UHFFFAOYSA-N 0 0 332.172 2.961 10 5 EFBERN O=c1cc2c(nn1CCOc1ccccc1[N+](=O)[O-])-c1ccccc1C2 ZINC001559413204 1415243993 /nfs/dbraw/zinc/24/39/93/1415243993.db2.gz XGMZLMDFPGTKJR-UHFFFAOYSA-N 0 0 349.346 2.802 10 5 EFBERN COc1cc(CSc2ncc([N+](=O)[O-])c(N)n2)ccc1SC ZINC001559415259 1415244012 /nfs/dbraw/zinc/24/40/12/1415244012.db2.gz LOHUOWQAOKTCFN-UHFFFAOYSA-N 0 0 338.414 2.990 10 5 EFBERN Cc1ccnc(C(=O)Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)c1 ZINC001559417811 1415244198 /nfs/dbraw/zinc/24/41/98/1415244198.db2.gz IMJDACJBNUDAGI-UHFFFAOYSA-N 0 0 341.302 2.579 10 5 EFBERN O=c1c2ccnc(Cl)c2ncn1Cc1ccc([N+](=O)[O-])cc1F ZINC001559422988 1415244509 /nfs/dbraw/zinc/24/45/09/1415244509.db2.gz ZMLPBRLESNHXQF-UHFFFAOYSA-N 0 0 334.694 2.541 10 5 EFBERN Nc1ccn(CCSc2ccc(Cl)cc2)c(=O)c1[N+](=O)[O-] ZINC001559438558 1415246130 /nfs/dbraw/zinc/24/61/30/1415246130.db2.gz PRVPBQAPJODEAL-UHFFFAOYSA-N 0 0 325.777 2.784 10 5 EFBERN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OCc1ccno1 ZINC001559438491 1415246143 /nfs/dbraw/zinc/24/61/43/1415246143.db2.gz OTMZIWCITOAZPC-UHFFFAOYSA-N 0 0 344.077 2.833 10 5 EFBERN CCC1(CO)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001559658292 1415252808 /nfs/dbraw/zinc/25/28/08/1415252808.db2.gz FMSIWDVPILCWKS-UHFFFAOYSA-N 0 0 346.387 2.629 10 5 EFBERN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001559729450 1415253563 /nfs/dbraw/zinc/25/35/63/1415253563.db2.gz YELOARMFEJFCBO-CZUORRHYSA-N 0 0 331.416 2.994 10 5 EFBERN O=C(CCN1CCC[C@H]1c1ncccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC001560014285 1415260733 /nfs/dbraw/zinc/26/07/33/1415260733.db2.gz OSSAIEYEPLGKAG-HNNXBMFYSA-N 0 0 341.371 2.551 10 5 EFBERN O=C(CCN1CCC[C@@H]1c1ncccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC001560014286 1415260760 /nfs/dbraw/zinc/26/07/60/1415260760.db2.gz OSSAIEYEPLGKAG-OAHLLOKOSA-N 0 0 341.371 2.551 10 5 EFBERN CC(C)(O)C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC001560074728 1415262690 /nfs/dbraw/zinc/26/26/90/1415262690.db2.gz CMFNEUMMAJDBEV-UHFFFAOYSA-N 0 0 346.387 2.628 10 5 EFBERN Cc1nccnc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001560124253 1415264126 /nfs/dbraw/zinc/26/41/26/1415264126.db2.gz RFTLONQUAZZTBW-STQMWFEESA-N 0 0 343.387 2.679 10 5 EFBERN COc1ccc2c(n1)N(C)CCN2Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001560156346 1415264798 /nfs/dbraw/zinc/26/47/98/1415264798.db2.gz KWOGLWHVIVWOKX-UHFFFAOYSA-N 0 0 328.372 2.763 10 5 EFBERN O=C1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)CN1 ZINC001560167759 1415266433 /nfs/dbraw/zinc/26/64/33/1415266433.db2.gz YBHFFAYVJYEJMA-INIZCTEOSA-N 0 0 347.321 2.546 10 5 EFBERN CC(C)C1(O)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001560224284 1415268550 /nfs/dbraw/zinc/26/85/50/1415268550.db2.gz SSQGCUSHKAMUAJ-UHFFFAOYSA-N 0 0 346.387 2.628 10 5 EFBERN CC[C@@H](NC(=O)NCCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC001564376842 1415376421 /nfs/dbraw/zinc/37/64/21/1415376421.db2.gz UPKWNDXOYJVWDI-SWLSCSKDSA-N 0 0 349.387 2.688 10 5 EFBERN CCCCC1(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001564658739 1415381176 /nfs/dbraw/zinc/38/11/76/1415381176.db2.gz QELCKKNOUGRSKA-UHFFFAOYSA-N 0 0 331.376 2.993 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](C)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC001565214292 1415391757 /nfs/dbraw/zinc/39/17/57/1415391757.db2.gz RFRWVYQERMUJGF-DOMZBBRYSA-N 0 0 347.371 2.808 10 5 EFBERN C[C@@H](NC(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001565338338 1415393456 /nfs/dbraw/zinc/39/34/56/1415393456.db2.gz YFVQOJWEJPMBMM-OCCSQVGLSA-N 0 0 343.387 2.968 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001565353958 1415394659 /nfs/dbraw/zinc/39/46/59/1415394659.db2.gz ZVBFNQHORMZWFC-DTJGQCLQSA-N 0 0 329.400 2.955 10 5 EFBERN C[C@@H](CNC(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001565412440 1415395044 /nfs/dbraw/zinc/39/50/44/1415395044.db2.gz YZXLQUVBUJSITR-DUVNUKRYSA-N 0 0 347.415 2.765 10 5 EFBERN CC(C)C(C)(C)C(=O)NCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC001565599852 1415406075 /nfs/dbraw/zinc/40/60/75/1415406075.db2.gz RRBAWTSNAKRKHO-UHFFFAOYSA-N 0 0 325.384 2.969 10 5 EFBERN Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3C)nc12 ZINC001565605195 1415406772 /nfs/dbraw/zinc/40/67/72/1415406772.db2.gz NVNYGWBZKDXKEX-UHFFFAOYSA-N 0 0 342.330 2.928 10 5 EFBERN CCCCCC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)OCC ZINC001565670198 1415408878 /nfs/dbraw/zinc/40/88/78/1415408878.db2.gz LPODXQJQPZDCEF-MRXNPFEDSA-N 0 0 339.392 2.945 10 5 EFBERN O=C(C[C@H]1CC(=O)N1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001565716708 1415412460 /nfs/dbraw/zinc/41/24/60/1415412460.db2.gz AKTPITMQUUQUGL-LBPRGKRZSA-N 0 0 341.323 2.604 10 5 EFBERN CCCn1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)cn1 ZINC001566007472 1415480580 /nfs/dbraw/zinc/48/05/80/1415480580.db2.gz BBAHSYKJRKTCKN-UHFFFAOYSA-N 0 0 341.730 2.828 10 5 EFBERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001566073351 1415504949 /nfs/dbraw/zinc/50/49/49/1415504949.db2.gz LDCLCMKBSNJUSY-YGRLFVJLSA-N 0 0 344.346 2.934 10 5 EFBERN CCC1(O)CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001566089072 1415509912 /nfs/dbraw/zinc/50/99/12/1415509912.db2.gz OMGDHLDDRKHGGK-UHFFFAOYSA-N 0 0 343.383 2.707 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)c2ccc(F)cc2O1 ZINC001566108025 1415516187 /nfs/dbraw/zinc/51/61/87/1415516187.db2.gz YKJBWRJZXSNDCV-VIFPVBQESA-N 0 0 331.303 2.744 10 5 EFBERN C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1F ZINC001566140661 1415531917 /nfs/dbraw/zinc/53/19/17/1415531917.db2.gz DNJXJXAYLMDRJI-UHFFFAOYSA-N 0 0 333.319 2.753 10 5 EFBERN Nc1ncc(C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC001566145735 1415531934 /nfs/dbraw/zinc/53/19/34/1415531934.db2.gz ABXMYFUFJZWZMG-CQSZACIVSA-N 0 0 348.309 2.731 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C12CCCC2 ZINC001566168260 1415533250 /nfs/dbraw/zinc/53/32/50/1415533250.db2.gz YYWNYMXEAJAJJH-HUUCEWRRSA-N 0 0 333.388 2.645 10 5 EFBERN CCCCCOC1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001566188199 1415534530 /nfs/dbraw/zinc/53/45/30/1415534530.db2.gz MWAPXYLQDQROGY-UHFFFAOYSA-N 0 0 345.399 2.967 10 5 EFBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1F ZINC001566340017 1415541499 /nfs/dbraw/zinc/54/14/99/1415541499.db2.gz KMGBQCXLSKDLCB-JKSUJKDBSA-N 0 0 332.331 2.976 10 5 EFBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F ZINC001566340015 1415541656 /nfs/dbraw/zinc/54/16/56/1415541656.db2.gz KMGBQCXLSKDLCB-HOTGVXAUSA-N 0 0 332.331 2.976 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1c[nH]nc1-c1ccccn1 ZINC001566350485 1415542236 /nfs/dbraw/zinc/54/22/36/1415542236.db2.gz BFEPJITYHNYELH-UHFFFAOYSA-N 0 0 341.302 2.700 10 5 EFBERN O=C(N[C@@H](CCO)C1CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001566396310 1415544736 /nfs/dbraw/zinc/54/47/36/1415544736.db2.gz LHEZLUOAUUJENE-HNNXBMFYSA-N 0 0 341.367 2.548 10 5 EFBERN CC[C@@H](NC(=O)/C=C\[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC001566438038 1415546558 /nfs/dbraw/zinc/54/65/58/1415546558.db2.gz DXYXPCWNKKOIAG-STUIXMSNSA-N 0 0 334.372 2.870 10 5 EFBERN C[C@@](CO)(NC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001587297409 1415646543 /nfs/dbraw/zinc/64/65/43/1415646543.db2.gz WRCUOFBUCPDXGN-INIZCTEOSA-N 0 0 334.759 2.886 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H](O)Cc1ccccc1 ZINC001566617739 1415698209 /nfs/dbraw/zinc/69/82/09/1415698209.db2.gz GEMOBCRIKISXLW-IAQYHMDHSA-N 0 0 348.786 2.970 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H](O)Cc1ccccc1 ZINC001566617738 1415698280 /nfs/dbraw/zinc/69/82/80/1415698280.db2.gz GEMOBCRIKISXLW-ABAIWWIYSA-N 0 0 348.786 2.970 10 5 EFBERN CC(C)OCCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001566772981 1415770531 /nfs/dbraw/zinc/77/05/31/1415770531.db2.gz RZLSJBMKOMVLHO-UHFFFAOYSA-N 0 0 347.774 2.905 10 5 EFBERN C[C@@]1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCCOC1 ZINC001566946885 1415862876 /nfs/dbraw/zinc/86/28/76/1415862876.db2.gz ATAUHMFYDRQREG-GOSISDBHSA-N 0 0 341.367 2.956 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001566955949 1415868588 /nfs/dbraw/zinc/86/85/88/1415868588.db2.gz FMHKFFOOINPAEK-LBPRGKRZSA-N 0 0 345.742 2.888 10 5 EFBERN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CCO1 ZINC001566996202 1415893534 /nfs/dbraw/zinc/89/35/34/1415893534.db2.gz IMQXQAVTQRPDND-LRDDRELGSA-N 0 0 335.404 2.891 10 5 EFBERN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001567243185 1416008818 /nfs/dbraw/zinc/00/88/18/1416008818.db2.gz UOJRDVUENVJPMI-UHFFFAOYSA-N 0 0 338.726 2.637 10 5 EFBERN CCCn1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC001567246094 1416013163 /nfs/dbraw/zinc/01/31/63/1416013163.db2.gz UEEGHFWGLKVZAC-UHFFFAOYSA-N 0 0 328.332 2.638 10 5 EFBERN CCN(CCNC(=O)C1(CC)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001567344125 1416082595 /nfs/dbraw/zinc/08/25/95/1416082595.db2.gz USOJTFUUHOKPCR-UHFFFAOYSA-N 0 0 325.434 2.785 10 5 EFBERN C/C=C\C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OCC ZINC001567433969 1416136674 /nfs/dbraw/zinc/13/66/74/1416136674.db2.gz SXCBHXMJQYLULZ-FHMRSRPSSA-N 0 0 340.763 2.876 10 5 EFBERN COc1cccc(Cl)c1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001567595996 1416203019 /nfs/dbraw/zinc/20/30/19/1416203019.db2.gz DHAIDIQWRIJPRK-UHFFFAOYSA-N 0 0 335.747 2.769 10 5 EFBERN Cc1c(CNC(=O)Cc2cccc3nsnc32)cccc1[N+](=O)[O-] ZINC001567605963 1416207237 /nfs/dbraw/zinc/20/72/37/1416207237.db2.gz PZCBTLKGGJSFJJ-UHFFFAOYSA-N 0 0 342.380 2.767 10 5 EFBERN C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC001567632863 1416218117 /nfs/dbraw/zinc/21/81/17/1416218117.db2.gz ZMZCAMCQWZEDEI-VIFPVBQESA-N 0 0 326.312 2.809 10 5 EFBERN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001567670999 1416240559 /nfs/dbraw/zinc/24/05/59/1416240559.db2.gz MYTDVHOIFPEHJJ-YMTOWFKASA-N 0 0 335.747 2.554 10 5 EFBERN Cc1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c(C)c1O ZINC001567785390 1416284193 /nfs/dbraw/zinc/28/41/93/1416284193.db2.gz VAPZMRCMCBQZHU-MRXNPFEDSA-N 0 0 330.340 2.898 10 5 EFBERN CCC(C)(C)CC(=O)NC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001567795231 1416285337 /nfs/dbraw/zinc/28/53/37/1416285337.db2.gz YVBRSWKNJKQKCO-UHFFFAOYSA-N 0 0 325.434 2.783 10 5 EFBERN C=C/C(C)=C/CC(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001567838057 1416294564 /nfs/dbraw/zinc/29/45/64/1416294564.db2.gz SNEJAUBXIUVFFU-VGOFMYFVSA-N 0 0 329.400 2.665 10 5 EFBERN O=C(NCC1CN(Cc2csc([N+](=O)[O-])c2)C1)C(C1CC1)C1CC1 ZINC001567846033 1416295751 /nfs/dbraw/zinc/29/57/51/1416295751.db2.gz KINWERYFODCUBJ-UHFFFAOYSA-N 0 0 349.456 2.641 10 5 EFBERN C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(O)c1 ZINC001568236384 1416451027 /nfs/dbraw/zinc/45/10/27/1416451027.db2.gz MCDCYUFFQXZQMM-JTQLQIEISA-N 0 0 340.339 2.597 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC001568243028 1416453336 /nfs/dbraw/zinc/45/33/36/1416453336.db2.gz ZSFTUXKACAXFGV-NWDGAFQWSA-N 0 0 332.747 2.511 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC001568326366 1416477790 /nfs/dbraw/zinc/47/77/90/1416477790.db2.gz CJXLTQUVVMFQAG-OAHLLOKOSA-N 0 0 332.331 2.814 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC(F)(F)OC(F)(F)C1 ZINC001645860498 1416575894 /nfs/dbraw/zinc/57/58/94/1416575894.db2.gz MGCRIXSAOJFEFL-UHFFFAOYSA-N 0 0 342.632 2.906 10 5 EFBERN CCn1nccc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001645865309 1416577005 /nfs/dbraw/zinc/57/70/05/1416577005.db2.gz JVWSUVBMABDQAA-UHFFFAOYSA-N 0 0 330.369 2.956 10 5 EFBERN Cc1cc(C(=O)NC[C@@H]2CCCC3(CCC3)O2)c(N)c([N+](=O)[O-])c1 ZINC001645875214 1416577565 /nfs/dbraw/zinc/57/75/65/1416577565.db2.gz MUNCGDCWQAUFHY-LBPRGKRZSA-N 0 0 333.388 2.707 10 5 EFBERN Cc1cc(C(=O)NC[C@H]2CCCC3(CCC3)O2)c(N)c([N+](=O)[O-])c1 ZINC001645875213 1416577642 /nfs/dbraw/zinc/57/76/42/1416577642.db2.gz MUNCGDCWQAUFHY-GFCCVEGCSA-N 0 0 333.388 2.707 10 5 EFBERN O=C(N[C@H](CO)c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])o1 ZINC001645877843 1416578648 /nfs/dbraw/zinc/57/86/48/1416578648.db2.gz NLWBHJGLCLRGRR-SECBINFHSA-N 0 0 345.138 2.958 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2CCn3nccc3C2)cc1[N+](=O)[O-] ZINC001646018201 1416601152 /nfs/dbraw/zinc/60/11/52/1416601152.db2.gz YKPQFOCNZIJRKO-UHFFFAOYSA-N 0 0 328.372 2.745 10 5 EFBERN O=C(Nc1ccccc1-c1ncco1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001646031496 1416603663 /nfs/dbraw/zinc/60/36/63/1416603663.db2.gz CXPSSFGSOTULKF-UHFFFAOYSA-N 0 0 326.268 2.603 10 5 EFBERN CN(Cc1csc([N+](=O)[O-])c1)[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001646080435 1416610482 /nfs/dbraw/zinc/61/04/82/1416610482.db2.gz KVJSUBHTAGEMOJ-CQSZACIVSA-N 0 0 329.385 2.996 10 5 EFBERN CC[S@](C)(=O)=NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001646112141 1416614955 /nfs/dbraw/zinc/61/49/55/1416614955.db2.gz CVPZSFHJFVWTFR-QHCPKHFHSA-N 0 0 328.393 2.939 10 5 EFBERN C[S@](=O)(=NC(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001646126698 1416617033 /nfs/dbraw/zinc/61/70/33/1416617033.db2.gz UXFUTAZDPDOLSR-JOCHJYFZSA-N 0 0 325.390 2.748 10 5 EFBERN Nc1c(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc(F)cc1[N+](=O)[O-] ZINC001646217612 1416634272 /nfs/dbraw/zinc/63/42/72/1416634272.db2.gz STGOXJFNSVVGAT-DIOULYMOSA-N 0 0 345.305 2.523 10 5 EFBERN CCOC(=O)[C@](C)(CNC(=O)c1ccc([N+](=O)[O-])o1)CC(C)C ZINC001646221377 1416635421 /nfs/dbraw/zinc/63/54/21/1416635421.db2.gz AFOXLRTVYKRIEM-HNNXBMFYSA-N 0 0 326.349 2.533 10 5 EFBERN Cc1ccc(NC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001646260040 1416639407 /nfs/dbraw/zinc/63/94/07/1416639407.db2.gz VNNTXGUTJNOJQN-SGTLLEGYSA-N 0 0 343.383 2.979 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)c(N)c1[N+](=O)[O-] ZINC001646259837 1416639628 /nfs/dbraw/zinc/63/96/28/1416639628.db2.gz RVPPWILBYWYEMJ-OQPBUACISA-N 0 0 329.360 2.513 10 5 EFBERN Cc1ccc(NC(=O)[C@@](C)(O)CCc2ccccc2)c(N)c1[N+](=O)[O-] ZINC001646258643 1416639786 /nfs/dbraw/zinc/63/97/86/1416639786.db2.gz FPKOCUIEYSUAPF-SFHVURJKSA-N 0 0 343.383 2.808 10 5 EFBERN Cc1cccc2c1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)CO2 ZINC001646268521 1416640611 /nfs/dbraw/zinc/64/06/11/1416640611.db2.gz URVARECZAFHMRD-NSHDSACASA-N 0 0 330.315 2.776 10 5 EFBERN CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001683181868 1416679182 /nfs/dbraw/zinc/67/91/82/1416679182.db2.gz NABBNUNQXJYPIY-SJLPKXTDSA-N 0 0 346.431 2.861 10 5 EFBERN C[C@H](NC(=O)NCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC001683830590 1416686145 /nfs/dbraw/zinc/68/61/45/1416686145.db2.gz PGMPDYDVEBZARQ-XEZPLFJOSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@H](NC(=O)N[C@@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001683830483 1416686162 /nfs/dbraw/zinc/68/61/62/1416686162.db2.gz HJRBVIYJYFNKKD-WFASDCNBSA-N 0 0 335.404 2.896 10 5 EFBERN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001684664342 1416727236 /nfs/dbraw/zinc/72/72/36/1416727236.db2.gz PPZJOGGKAIAPNH-KBRIMQKVSA-N 0 0 344.415 2.615 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC001684706210 1416728690 /nfs/dbraw/zinc/72/86/90/1416728690.db2.gz GVWHTKQBZFMZDM-GUYCJALGSA-N 0 0 343.383 2.825 10 5 EFBERN C[C@H](NC(=O)NCC[C@@H](O)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001684973679 1416738622 /nfs/dbraw/zinc/73/86/22/1416738622.db2.gz BXVVAQZPEPBYBF-BLLLJJGKSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC001684974005 1416738983 /nfs/dbraw/zinc/73/89/83/1416738983.db2.gz XZNPYVACGDYZKU-XQAQDONZSA-N 0 0 347.415 2.752 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC001685072034 1416742452 /nfs/dbraw/zinc/74/24/52/1416742452.db2.gz NKEZSLQMJVBNBW-UISBYWKRSA-N 0 0 349.309 2.657 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001685071817 1416742467 /nfs/dbraw/zinc/74/24/67/1416742467.db2.gz CYTZINQESARDHX-CMPLNLGQSA-N 0 0 329.360 2.815 10 5 EFBERN C[C@@H](NC(=O)NCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC001685075198 1416742560 /nfs/dbraw/zinc/74/25/60/1416742560.db2.gz PGMPDYDVEBZARQ-WWGRRREGSA-N 0 0 335.404 2.896 10 5 EFBERN CCOC(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001685148604 1416751020 /nfs/dbraw/zinc/75/10/20/1416751020.db2.gz IFCSMRIUXGFDAM-DOMZBBRYSA-N 0 0 349.387 2.783 10 5 EFBERN C[C@@H](NC(=O)N[C@H]1CCCC2(C1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC001685148966 1416751228 /nfs/dbraw/zinc/75/12/28/1416751228.db2.gz NGWJGYUCMUMNFR-OCCSQVGLSA-N 0 0 349.387 2.641 10 5 EFBERN C[C@@H](NC(=O)NCC[C@H](O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001685153331 1416752134 /nfs/dbraw/zinc/75/21/34/1416752134.db2.gz OVFWISWZWSXAMV-WBMJQRKESA-N 0 0 335.404 2.896 10 5 EFBERN C[C@H](CNC(=O)NCCNc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC001685447060 1416763925 /nfs/dbraw/zinc/76/39/25/1416763925.db2.gz BJWYNJDQKCQYCV-CYBMUJFWSA-N 0 0 343.387 2.505 10 5 EFBERN Cc1ccc([C@@H](O)CNC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001685447241 1416764015 /nfs/dbraw/zinc/76/40/15/1416764015.db2.gz GEQSVKFBSOQWKP-NHYWBVRUSA-N 0 0 347.371 2.633 10 5 EFBERN Cc1noc([C@@H](C)N(C)C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001685447130 1416764108 /nfs/dbraw/zinc/76/41/08/1416764108.db2.gz DAOPESSWCIKWEI-WDEREUQCSA-N 0 0 347.375 2.792 10 5 EFBERN C[C@H](CNC(=O)NCC1(O)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001685528045 1416766330 /nfs/dbraw/zinc/76/63/30/1416766330.db2.gz OUVLFQHPTGLPID-CYBMUJFWSA-N 0 0 335.404 2.693 10 5 EFBERN CNc1cc(CNC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC001685532414 1416766345 /nfs/dbraw/zinc/76/63/45/1416766345.db2.gz PNPTXIOFDBRAJC-GFCCVEGCSA-N 0 0 343.387 2.634 10 5 EFBERN C[C@@H](CNC(=O)N[C@@H](CCO)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC001685527208 1416766393 /nfs/dbraw/zinc/76/63/93/1416766393.db2.gz FRJKCHAYIYJOCL-JSGCOSHPSA-N 0 0 347.371 2.714 10 5 EFBERN CC[C@H](C[C@@H](C)O)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001685896571 1416777048 /nfs/dbraw/zinc/77/70/48/1416777048.db2.gz PZUCIOLJNLRFJX-ZWNOBZJWSA-N 0 0 343.811 2.639 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001687733561 1416868876 /nfs/dbraw/zinc/86/88/76/1416868876.db2.gz SRTQMTGPRTUTBD-CJNGLKHVSA-N 0 0 349.431 2.939 10 5 EFBERN CCc1nc(C)c(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC001689819412 1417080850 /nfs/dbraw/zinc/08/08/50/1417080850.db2.gz SHOCSZNOJYZNNZ-UHFFFAOYSA-N 0 0 348.428 2.788 10 5 EFBERN Cc1cccc(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cn2)c1Cl ZINC001689820506 1417081573 /nfs/dbraw/zinc/08/15/73/1417081573.db2.gz RBQOLIZNZLJDMI-UHFFFAOYSA-N 0 0 348.790 2.818 10 5 EFBERN CN(CCNC(=O)c1cc(Cl)cs1)c1ncccc1[N+](=O)[O-] ZINC001689822350 1417082653 /nfs/dbraw/zinc/08/26/53/1417082653.db2.gz MHESEOQUTMBMSA-UHFFFAOYSA-N 0 0 340.792 2.571 10 5 EFBERN CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cn1 ZINC001690322314 1417190359 /nfs/dbraw/zinc/19/03/59/1417190359.db2.gz XRPCMLCLGCJJRN-UHFFFAOYSA-N 0 0 348.790 2.852 10 5 EFBERN O=C(CC(C1CC1)C1CC1)NC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001692265949 1417271290 /nfs/dbraw/zinc/27/12/90/1417271290.db2.gz BOMGUHMEVCTMDL-UHFFFAOYSA-N 0 0 349.456 2.783 10 5 EFBERN CCOCCn1c(C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001696425016 1417294353 /nfs/dbraw/zinc/29/43/53/1417294353.db2.gz XNRNONVWIYGBHC-UHFFFAOYSA-N 0 0 345.403 2.700 10 5 EFBERN COCC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001712118623 1418271846 /nfs/dbraw/zinc/27/18/46/1418271846.db2.gz UZAIRQDIDJQSSL-UHFFFAOYSA-N 0 0 347.419 2.804 10 5 EFBERN Cc1cc(C(=O)NCCCN(C)Cc2csc([N+](=O)[O-])c2)co1 ZINC001712943480 1418288888 /nfs/dbraw/zinc/28/88/88/1418288888.db2.gz ADGBGVTYTJOWOI-UHFFFAOYSA-N 0 0 337.401 2.810 10 5 EFBERN CC/C=C(\C)C(=O)N1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001717008652 1419144342 /nfs/dbraw/zinc/14/43/42/1419144342.db2.gz RZNVPVMFKPWIAG-COGRFCOTSA-N 0 0 349.456 2.903 10 5 EFBERN Cc1cc(C(=O)NCC2(NCc3csc([N+](=O)[O-])c3)CC2)c(C)[nH]1 ZINC001723559440 1424523401 /nfs/dbraw/zinc/52/34/01/1424523401.db2.gz BINLHXPVRPKNAO-UHFFFAOYSA-N 0 0 348.428 2.653 10 5 EFBERN Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1Cc1ccoc1 ZINC001726385278 1426289714 /nfs/dbraw/zinc/28/97/14/1426289714.db2.gz NRNMRYRDDBQBMM-UHFFFAOYSA-N 0 0 339.355 2.699 10 5 EFBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCC1 ZINC001728089620 1426311754 /nfs/dbraw/zinc/31/17/54/1426311754.db2.gz CGOVNCXHLYWDRN-UHFFFAOYSA-N 0 0 345.403 2.615 10 5 EFBERN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097656221 713127830 /nfs/dbraw/zinc/12/78/30/713127830.db2.gz AENOOPFSFPIPPR-BXIWVINRSA-N 0 0 346.383 2.941 10 5 EFBERN CC1=C(Br)CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000804683688 713412149 /nfs/dbraw/zinc/41/21/49/713412149.db2.gz VMHQQVLGTZBETH-UHFFFAOYSA-N 0 0 342.193 2.548 10 5 EFBERN C[C@]12CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]1C2(Cl)Cl ZINC000804703877 713437330 /nfs/dbraw/zinc/43/73/30/713437330.db2.gz AYJMMZGRYDLTMH-PELKAZGASA-N 0 0 342.186 2.658 10 5 EFBERN Cc1nn(C)c(N2CCC([C@@H](O)c3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000804810428 713476946 /nfs/dbraw/zinc/47/69/46/713476946.db2.gz GWQOBMYVBVHFLV-QGZVFWFLSA-N 0 0 344.415 2.895 10 5 EFBERN C[C@H](COC(=O)C1(c2ccc(Br)cc2)CC1)[N+](=O)[O-] ZINC000813111606 713551682 /nfs/dbraw/zinc/55/16/82/713551682.db2.gz VSKRANKCVKRLAY-SECBINFHSA-N 0 0 328.162 2.689 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000924329263 713604282 /nfs/dbraw/zinc/60/42/82/713604282.db2.gz TTWGSELGOKULFG-LLVKDONJSA-N 0 0 330.319 2.544 10 5 EFBERN C[C@@H](COC(=O)CCc1cc(Br)ccc1F)[N+](=O)[O-] ZINC000813114066 713613050 /nfs/dbraw/zinc/61/30/50/713613050.db2.gz YGLASGQGDTXMEU-QMMMGPOBSA-N 0 0 334.141 2.729 10 5 EFBERN C[C@H]1C(=O)CCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000932846950 713952492 /nfs/dbraw/zinc/95/24/92/713952492.db2.gz WIEXLPITDCGHKD-VIFPVBQESA-N 0 0 327.178 2.911 10 5 EFBERN CCc1cccc2c(CC(=O)OCCn3cc([N+](=O)[O-])cn3)c[nH]c21 ZINC000177787278 714293245 /nfs/dbraw/zinc/29/32/45/714293245.db2.gz GPZSJAAVTJDZRU-UHFFFAOYSA-N 0 0 342.355 2.621 10 5 EFBERN Cc1ccn2c(c1)nnc2NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000160715209 714448360 /nfs/dbraw/zinc/44/83/60/714448360.db2.gz ATJFMEKUQPIIGJ-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)NCc1ccccc1F ZINC000096879050 714681115 /nfs/dbraw/zinc/68/11/15/714681115.db2.gz UYNGSWOMAFKSGL-WAYWQWQTSA-N 0 0 344.298 2.792 10 5 EFBERN O=C(C[C@H]1CC[C@H](C2CC2)O1)OCCOc1ccccc1[N+](=O)[O-] ZINC000924360639 714783317 /nfs/dbraw/zinc/78/33/17/714783317.db2.gz QBWGZZWWJMEYBT-UKRRQHHQSA-N 0 0 335.356 2.865 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000023891714 714804380 /nfs/dbraw/zinc/80/43/80/714804380.db2.gz ZJSLXHIIFBTFQV-UHFFFAOYSA-N 0 0 335.747 2.924 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(=O)C[C@@H]1C1CC1 ZINC000891774775 715009909 /nfs/dbraw/zinc/00/99/09/715009909.db2.gz OSTRUYUZRRDGHL-MRXNPFEDSA-N 0 0 343.383 2.753 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(=O)C[C@H]1C1CC1 ZINC000891791924 715021685 /nfs/dbraw/zinc/02/16/85/715021685.db2.gz ACJVBDFDNBMYBT-HNNXBMFYSA-N 0 0 336.775 2.761 10 5 EFBERN CCn1nccc1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000121593800 715052817 /nfs/dbraw/zinc/05/28/17/715052817.db2.gz VQXZXKVUKAOPTH-UHFFFAOYSA-N 0 0 339.149 2.826 10 5 EFBERN C[C@H](NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000003506551 715168223 /nfs/dbraw/zinc/16/82/23/715168223.db2.gz WOGDABBJXBSNNT-NSHDSACASA-N 0 0 346.314 2.768 10 5 EFBERN CO[C@@H]1CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000724141466 715194543 /nfs/dbraw/zinc/19/45/43/715194543.db2.gz JJKFZKWUDJYKBM-GXSJLCMTSA-N 0 0 343.177 2.607 10 5 EFBERN CO[C@@H]1CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000724141471 715194752 /nfs/dbraw/zinc/19/47/52/715194752.db2.gz JJKFZKWUDJYKBM-MWLCHTKSSA-N 0 0 343.177 2.607 10 5 EFBERN O=[N+]([O-])c1nn(C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1Br ZINC000721500763 715198964 /nfs/dbraw/zinc/19/89/64/715198964.db2.gz GWHLMPQGKBSUEH-VDTYLAMSSA-N 0 0 344.087 2.664 10 5 EFBERN CCO[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCOC1 ZINC000866854806 715219989 /nfs/dbraw/zinc/21/99/89/715219989.db2.gz ULEAGDBANYPESY-YOEHRIQHSA-N 0 0 348.399 2.527 10 5 EFBERN O=C(CCOC1CCOCC1)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084693777 715260158 /nfs/dbraw/zinc/26/01/58/715260158.db2.gz JBVKPRDBSZHYEH-UHFFFAOYSA-N 0 0 329.736 2.739 10 5 EFBERN O=C(NCC[C@@H]1CCCC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000893401233 715351454 /nfs/dbraw/zinc/35/14/54/715351454.db2.gz DYDLLDJUEAPBGQ-VIFPVBQESA-N 0 0 342.298 2.879 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCSC3)C2)c1C ZINC000892218783 715361467 /nfs/dbraw/zinc/36/14/67/715361467.db2.gz MOFBJEUAXUCWGX-INIZCTEOSA-N 0 0 336.413 2.560 10 5 EFBERN CCOCCC1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000127697962 715527784 /nfs/dbraw/zinc/52/77/84/715527784.db2.gz WXMMZFOZDWZRBB-UHFFFAOYSA-N 0 0 335.360 2.544 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000893452677 715560614 /nfs/dbraw/zinc/56/06/14/715560614.db2.gz WRZWCLKIFYDPOC-BBWFWOEESA-N 0 0 346.431 2.924 10 5 EFBERN COC(=O)CCCCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176696688 715639587 /nfs/dbraw/zinc/63/95/87/715639587.db2.gz LIQJLOPTRUZMKG-UHFFFAOYSA-N 0 0 326.324 2.506 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000313061789 715649051 /nfs/dbraw/zinc/64/90/51/715649051.db2.gz OQBHVKXNZTUWQS-SNVBAGLBSA-N 0 0 343.177 2.512 10 5 EFBERN C[C@@H](OC(=O)c1sccc1-n1cnnn1)c1ccc([N+](=O)[O-])cc1 ZINC000066877190 715663945 /nfs/dbraw/zinc/66/39/45/715663945.db2.gz HPJGCIYHROETKF-SECBINFHSA-N 0 0 345.340 2.550 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000161423987 715852113 /nfs/dbraw/zinc/85/21/13/715852113.db2.gz NAJSQEFTYPQNGE-CFNZNRNTSA-N 0 0 336.388 2.990 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894730815 722830436 /nfs/dbraw/zinc/83/04/36/722830436.db2.gz DTXXDFXNMYPCFX-WFASDCNBSA-N 0 0 336.413 2.714 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccsc2)no1 ZINC000052474973 716201985 /nfs/dbraw/zinc/20/19/85/716201985.db2.gz XGHWNAKZGGXZRP-UHFFFAOYSA-N 0 0 346.324 2.767 10 5 EFBERN C[C@@H](NC(=O)NC1CCC2(COC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000924031344 716487318 /nfs/dbraw/zinc/48/73/18/716487318.db2.gz OSCPWMFIRIFELR-GFCCVEGCSA-N 0 0 333.388 2.914 10 5 EFBERN Cc1cnc2n1CC[C@H]2OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000893533445 716787633 /nfs/dbraw/zinc/78/76/33/716787633.db2.gz VUIPRVQRXQRGGC-RRFJBIMHSA-N 0 0 327.340 2.891 10 5 EFBERN COC(=O)c1ccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1 ZINC000176883569 716954709 /nfs/dbraw/zinc/95/47/09/716954709.db2.gz KQYYQFMUIMRXFE-UHFFFAOYSA-N 0 0 346.314 2.759 10 5 EFBERN Cc1cc(F)ccc1S(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000135594985 716958541 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O=[N+]([O-])c1cccc(CN2CC[C@@H](CCO)C2)c1Br ZINC000236492831 718262244 /nfs/dbraw/zinc/26/22/44/718262244.db2.gz PPNHSNMLCYNHBO-JTQLQIEISA-N 0 0 329.194 2.562 10 5 EFBERN O=[N+]([O-])c1cccc(CN2CC[C@H](CCO)C2)c1Br ZINC000236497902 718264447 /nfs/dbraw/zinc/26/44/47/718264447.db2.gz PPNHSNMLCYNHBO-SNVBAGLBSA-N 0 0 329.194 2.562 10 5 EFBERN C[C@H](O)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000180426001 718353268 /nfs/dbraw/zinc/35/32/68/718353268.db2.gz WXTCBPCQMPTILW-JTQLQIEISA-N 0 0 343.339 2.591 10 5 EFBERN Nc1ccc(C(=O)NCCOCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000163043588 718547849 /nfs/dbraw/zinc/54/78/49/718547849.db2.gz SAHAIAPMCPBARZ-UHFFFAOYSA-N 0 0 349.774 2.777 10 5 EFBERN Cc1c(NC(=O)NCC[C@H](N(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000926811317 718591713 /nfs/dbraw/zinc/59/17/13/718591713.db2.gz YWHWHWAYNLIGLB-LBPRGKRZSA-N 0 0 348.325 2.907 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cc(C3CC3)no2)c1F ZINC000923882349 718619352 /nfs/dbraw/zinc/61/93/52/718619352.db2.gz OEDVAXWMKVLIRG-UHFFFAOYSA-N 0 0 337.282 2.977 10 5 EFBERN COCC1CC(OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000893639939 718978212 /nfs/dbraw/zinc/97/82/12/718978212.db2.gz MRHOSOUEXRXFBP-UHFFFAOYSA-N 0 0 325.336 2.980 10 5 EFBERN CCOc1ccc(C(=O)OCc2nnsc2Cl)cc1[N+](=O)[O-] ZINC000020982675 724565394 /nfs/dbraw/zinc/56/53/94/724565394.db2.gz QDDHEDLBDUHPCA-UHFFFAOYSA-N 0 0 343.748 2.855 10 5 EFBERN CSc1cccc(C(=O)NC2(c3ncccn3)CCC2)c1[N+](=O)[O-] ZINC000893656923 719177709 /nfs/dbraw/zinc/17/77/09/719177709.db2.gz AGBWAHNLFUOPGF-UHFFFAOYSA-N 0 0 344.396 2.916 10 5 EFBERN O=C(NCc1ccc(CO)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178311998 719202228 /nfs/dbraw/zinc/20/22/28/719202228.db2.gz GIOYPCJDSFEVTN-UHFFFAOYSA-N 0 0 338.722 2.810 10 5 EFBERN COC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000893698216 719496204 /nfs/dbraw/zinc/49/62/04/719496204.db2.gz WHZHPDUTIBHFMX-NZVBXONLSA-N 0 0 332.356 2.690 10 5 EFBERN CS[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000866884341 719677967 /nfs/dbraw/zinc/67/79/67/719677967.db2.gz FORFMUHMFNNASQ-RKDXNWHRSA-N 0 0 336.460 2.527 10 5 EFBERN COc1ccccc1NC(=O)COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000026113815 724615148 /nfs/dbraw/zinc/61/51/48/724615148.db2.gz CRJHYSKTLPTHFO-UHFFFAOYSA-N 0 0 344.323 2.707 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)/C=C/c1ccccc1)CC2 ZINC000014099062 719990882 /nfs/dbraw/zinc/99/08/82/719990882.db2.gz JSKRLDYIEBZMED-PKNBQFBNSA-N 0 0 330.365 2.958 10 5 EFBERN C[C@]1(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1(F)F ZINC000893201332 720032453 /nfs/dbraw/zinc/03/24/53/720032453.db2.gz HSUPNAKDPXNJPW-CQSZACIVSA-N 0 0 343.282 2.958 10 5 EFBERN O=C(OC[C@@H]1CCC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000893214326 720070098 /nfs/dbraw/zinc/07/00/98/720070098.db2.gz MHVUHSMEKJGXCI-VIFPVBQESA-N 0 0 343.282 2.958 10 5 EFBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)OCCc2ccccc21 ZINC000893807693 720095721 /nfs/dbraw/zinc/09/57/21/720095721.db2.gz WDNUPPSCUXTZHL-SFHVURJKSA-N 0 0 344.342 2.952 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)Cn2nccc21 ZINC000893885944 720141708 /nfs/dbraw/zinc/14/17/08/720141708.db2.gz IEZRTKSKCWEHDA-VWLVURMCSA-N 0 0 326.356 2.878 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)Cn2nccc21 ZINC000893904220 720148430 /nfs/dbraw/zinc/14/84/30/720148430.db2.gz JQYJNLSCRUWEIY-NEPJUHHUSA-N 0 0 346.412 2.955 10 5 EFBERN COC(=O)[C@@H]1[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1(F)F ZINC000893945935 720178158 /nfs/dbraw/zinc/17/81/58/720178158.db2.gz OPKIRJDGHYQUCW-KBPBESRZSA-N 0 0 340.326 2.614 10 5 EFBERN COCC1(N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCC1 ZINC000893241166 720184553 /nfs/dbraw/zinc/18/45/53/720184553.db2.gz GDIBIQKTRCZXEO-UHFFFAOYSA-N 0 0 343.383 2.971 10 5 EFBERN CC(C)(C(=O)N1C[C@@H]2CC[C@H]1c1ccccc12)n1cc([N+](=O)[O-])cn1 ZINC000893972832 720190660 /nfs/dbraw/zinc/19/06/60/720190660.db2.gz FMOBGCYLINRQKH-LRDDRELGSA-N 0 0 340.383 2.987 10 5 EFBERN CC(C)O[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCOC1 ZINC000928762762 724657421 /nfs/dbraw/zinc/65/74/21/724657421.db2.gz ZWQTVWRTLLTPGM-HNNXBMFYSA-N 0 0 342.779 2.562 10 5 EFBERN C[C@@H](NC(=O)NC[C@]12C[C@H]1COC21CCC1)c1ccccc1[N+](=O)[O-] ZINC000894016768 720229766 /nfs/dbraw/zinc/22/97/66/720229766.db2.gz WGRCINOHHYUWEO-IIYDPXPESA-N 0 0 345.399 2.914 10 5 EFBERN COc1ccc(CSCC(=O)N[C@H](C)C(F)F)cc1[N+](=O)[O-] ZINC000894055384 720254523 /nfs/dbraw/zinc/25/45/23/720254523.db2.gz QSENTRWXTXJGMC-MRVPVSSYSA-N 0 0 334.344 2.606 10 5 EFBERN CN(Cc1ccns1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000894075154 720269156 /nfs/dbraw/zinc/26/91/56/720269156.db2.gz BOJXTPUJRWLVBM-UHFFFAOYSA-N 0 0 346.412 2.924 10 5 EFBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000893305068 720528348 /nfs/dbraw/zinc/52/83/48/720528348.db2.gz KZBGUORNRAPOQR-JWOOATGISA-N 0 0 337.401 2.712 10 5 EFBERN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H](C)[C@H]1O ZINC000930997060 720632969 /nfs/dbraw/zinc/63/29/69/720632969.db2.gz WJDKRKRDWBFQNW-MSRIBSCDSA-N 0 0 343.221 2.806 10 5 EFBERN Cc1cc(C(=O)N2CCCc3ccnc(N(C)C)c32)cc([N+](=O)[O-])c1 ZINC000894153964 720944535 /nfs/dbraw/zinc/94/45/35/720944535.db2.gz QCSZUTZUYPKDLR-UHFFFAOYSA-N 0 0 340.383 2.957 10 5 EFBERN Cc1n[nH]cc1CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162768253 721088720 /nfs/dbraw/zinc/08/87/20/721088720.db2.gz FSRVKVBIORWFMG-UHFFFAOYSA-N 0 0 325.166 2.679 10 5 EFBERN Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)C[N+](=O)[O-])c(Br)c1 ZINC000814037786 721191008 /nfs/dbraw/zinc/19/10/08/721191008.db2.gz GMUZYXPVVRUZOJ-ZJUUUORDSA-N 0 0 346.177 2.733 10 5 EFBERN COc1c(Br)c(C)sc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814048560 721200297 /nfs/dbraw/zinc/20/02/97/721200297.db2.gz UTNGXONVKCZPIB-RXMQYKEDSA-N 0 0 338.179 2.650 10 5 EFBERN C[C@H]1CN(CCCOC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000893392403 721289525 /nfs/dbraw/zinc/28/95/25/721289525.db2.gz RRFFBLBCDVXZRS-LBPRGKRZSA-N 0 0 348.355 2.609 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC1CC1)c1ccc(C)cc1 ZINC000894235556 721362536 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Cc1cccc(NC(=O)COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1 ZINC000727900897 723298653 /nfs/dbraw/zinc/29/86/53/723298653.db2.gz XMNFVAOMHYLPHR-UHFFFAOYSA-N 0 0 343.339 2.589 10 5 EFBERN Cc1cc(C(=O)OCc2csc([N+](=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC000727900717 723306358 /nfs/dbraw/zinc/30/63/58/723306358.db2.gz LWXDJYXJKNKVMY-UHFFFAOYSA-N 0 0 337.313 2.812 10 5 EFBERN O=C(COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)C1(Cl)CC1 ZINC000917929740 728810718 /nfs/dbraw/zinc/81/07/18/728810718.db2.gz WUDZXACPIXQAFG-UHFFFAOYSA-N 0 0 327.617 2.871 10 5 EFBERN C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000928541949 723410360 /nfs/dbraw/zinc/41/03/60/723410360.db2.gz JPCLVGDGDNJXPV-JTQLQIEISA-N 0 0 344.820 2.978 10 5 EFBERN O=[N+]([O-])c1cn(C[C@@H]2CC[C@H](C(F)(F)F)O2)c(Br)n1 ZINC000918087245 728833663 /nfs/dbraw/zinc/83/36/63/728833663.db2.gz MYMOEURMHVPOFP-NTSWFWBYSA-N 0 0 344.087 2.664 10 5 EFBERN CC(=O)c1cc(N2CCC(N3CCCOC3=O)CC2)ccc1[N+](=O)[O-] ZINC000896868484 723556417 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EFBERN CNc1c(C(=O)N[C@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC001570452696 1086253567 /nfs/dbraw/zinc/25/35/67/1086253567.db2.gz XOJOALHMQWXFHC-AWEZNQCLSA-N 0 0 327.340 2.638 10 5 EFBERN O=C(Nc1cc(Cl)ccc1OC(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC001570518063 1086302839 /nfs/dbraw/zinc/30/28/39/1086302839.db2.gz HSLDOXWPBRSDGA-UHFFFAOYSA-N 0 0 332.650 2.825 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(CO)ccn1 ZINC001570522521 1086310203 /nfs/dbraw/zinc/31/02/03/1086310203.db2.gz CJTDGKSPCOJFKM-UHFFFAOYSA-N 0 0 335.747 2.707 10 5 EFBERN Cc1cc(=O)[nH]c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC001570571506 1086373699 /nfs/dbraw/zinc/37/36/99/1086373699.db2.gz TUNYVVBGKSPAGO-UHFFFAOYSA-N 0 0 339.710 2.978 10 5 EFBERN Cc1ccc(CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2N)cn1 ZINC001570664017 1086446586 /nfs/dbraw/zinc/44/65/86/1086446586.db2.gz XHRKJXFOSNVLTR-UHFFFAOYSA-N 0 0 340.383 2.933 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001570670512 1086450181 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EFBERN CC(C)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001571609413 1086986279 /nfs/dbraw/zinc/98/62/79/1086986279.db2.gz FXDKHHXJZAJDET-UHFFFAOYSA-N 0 0 329.347 2.529 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCSCc1ccccc1F ZINC001587306280 1087271904 /nfs/dbraw/zinc/27/19/04/1087271904.db2.gz FUGAKNMEJLZJMC-UHFFFAOYSA-N 0 0 349.387 2.979 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)(C)C ZINC001647757288 1089873754 /nfs/dbraw/zinc/87/37/54/1089873754.db2.gz IOOQJVUBVXYHKQ-CQSZACIVSA-N 0 0 347.371 2.784 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C ZINC001647757101 1089874535 /nfs/dbraw/zinc/87/45/35/1089874535.db2.gz GHKKSRJZEUQKOG-CQSZACIVSA-N 0 0 347.371 2.784 10 5 EFBERN C[C@H](O)[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001647758639 1089875331 /nfs/dbraw/zinc/87/53/31/1089875331.db2.gz DOSZRAKBELFKIR-GTNSWQLSSA-N 0 0 339.351 2.928 10 5 EFBERN CC(=O)Nc1ccc(O)c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001648036242 1089934811 /nfs/dbraw/zinc/93/48/11/1089934811.db2.gz DEBSMIMTPVTIRX-UHFFFAOYSA-N 0 0 329.312 2.820 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)CC2CCCCC2)cc([N+](=O)[O-])c1 ZINC001648037027 1089935087 /nfs/dbraw/zinc/93/50/87/1089935087.db2.gz OKLRPLRRFMEAHU-UHFFFAOYSA-N 0 0 333.388 2.928 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)cc([N+](=O)[O-])c1 ZINC001648037543 1089935103 /nfs/dbraw/zinc/93/51/03/1089935103.db2.gz WMHCUOGBIXMLJL-UHFFFAOYSA-N 0 0 349.293 2.550 10 5 EFBERN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001648100043 1089941851 /nfs/dbraw/zinc/94/18/51/1089941851.db2.gz QKONPRKMDDEACS-VIFPVBQESA-N 0 0 349.416 2.562 10 5 EFBERN O=[N+]([O-])CCN1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001648179873 1089956620 /nfs/dbraw/zinc/95/66/20/1089956620.db2.gz OHCHYZMEGRTCQB-UHFFFAOYSA-N 0 0 341.411 2.664 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCc2nc(N(C)C)sc2C1 ZINC001648208124 1089961488 /nfs/dbraw/zinc/96/14/88/1089961488.db2.gz ITULRLOPFFGKQR-UHFFFAOYSA-N 0 0 348.428 2.684 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCS1 ZINC001648223111 1089963754 /nfs/dbraw/zinc/96/37/54/1089963754.db2.gz BZSIKIHNSBYWOD-ZJUUUORDSA-N 0 0 347.396 2.863 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCSC3(CCC3)C2)c1[N+](=O)[O-] ZINC001648245354 1089965815 /nfs/dbraw/zinc/96/58/15/1089965815.db2.gz AKNIWFQKUDIDRR-SNVBAGLBSA-N 0 0 338.433 2.989 10 5 EFBERN CNc1nccc(C(=O)N2CC[C@@H](C)C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001648229845 1089966710 /nfs/dbraw/zinc/96/67/10/1089966710.db2.gz BPNABJZTQFFGED-SCZZXKLOSA-N 0 0 346.309 2.835 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001648250099 1089967502 /nfs/dbraw/zinc/96/75/02/1089967502.db2.gz FULYYZZJWWSNPF-WOVMCDHWSA-N 0 0 343.339 2.643 10 5 EFBERN Cc1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCC2)c(N)c1[N+](=O)[O-] ZINC001648298155 1089975912 /nfs/dbraw/zinc/97/59/12/1089975912.db2.gz DJQGUYSKGILGEP-UHFFFAOYSA-N 0 0 349.387 2.936 10 5 EFBERN CC(C)COC1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001620571074 1090692530 /nfs/dbraw/zinc/69/25/30/1090692530.db2.gz ZJNWZMOQFRLCHG-UHFFFAOYSA-N 0 0 329.356 2.640 10 5 EFBERN O=C(/C=C/C=C(Cl)Cl)NCCNc1ccccc1[N+](=O)[O-] ZINC001587373453 1091433478 /nfs/dbraw/zinc/43/34/78/1091433478.db2.gz LXFKUARGISDDOD-XVNBXDOJSA-N 0 0 330.171 2.998 10 5 EFBERN CN(C)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC001583030210 1091879431 /nfs/dbraw/zinc/87/94/31/1091879431.db2.gz FUUAWTXDYYEHSC-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC001583037343 1091881730 /nfs/dbraw/zinc/88/17/30/1091881730.db2.gz SYLFNQHOGUDQNY-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])s1 ZINC001583037981 1091882021 /nfs/dbraw/zinc/88/20/21/1091882021.db2.gz PBRMCCHINUZJQL-VXGBXAGGSA-N 0 0 333.369 2.701 10 5 EFBERN COc1ccc(N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC001583094925 1091898477 /nfs/dbraw/zinc/89/84/77/1091898477.db2.gz RQFBSUUBWYVHRU-UHFFFAOYSA-N 0 0 348.330 2.957 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1 ZINC001583153708 1091913831 /nfs/dbraw/zinc/91/38/31/1091913831.db2.gz FCEGZIPOIDYKNH-DYVFJYSZSA-N 0 0 341.367 2.900 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC001583235643 1091940368 /nfs/dbraw/zinc/94/03/68/1091940368.db2.gz TYIGULMQBGSSOV-NSHDSACASA-N 0 0 335.360 2.676 10 5 EFBERN COC(=O)c1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC001583522651 1092026195 /nfs/dbraw/zinc/02/61/95/1092026195.db2.gz AIOMJYMLGMQZIS-VMPITWQZSA-N 0 0 330.296 2.935 10 5 EFBERN CC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC001583523864 1092026274 /nfs/dbraw/zinc/02/62/74/1092026274.db2.gz OHEALBMJCWRWFX-UHFFFAOYSA-N 0 0 327.340 2.895 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nncn2c1 ZINC001583558332 1092036503 /nfs/dbraw/zinc/03/65/03/1092036503.db2.gz ODAYNPLQYUYCKB-UHFFFAOYSA-N 0 0 329.341 2.612 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC001583562108 1092038351 /nfs/dbraw/zinc/03/83/51/1092038351.db2.gz FXKAOWAUFWBQDD-HWPZZCPQSA-N 0 0 348.330 2.594 10 5 EFBERN CCc1nc(C)ncc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001583624511 1092050871 /nfs/dbraw/zinc/05/08/71/1092050871.db2.gz VTVQXXZOJDDPPH-UHFFFAOYSA-N 0 0 348.790 2.882 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H]2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC001583676847 1092056982 /nfs/dbraw/zinc/05/69/82/1092056982.db2.gz FERFUWKXOWGQOI-ZDUSSCGKSA-N 0 0 334.372 2.744 10 5 EFBERN Cc1nn(CCC(=O)Nc2ncsc2C2CC2)c(C)c1[N+](=O)[O-] ZINC001583707231 1092059747 /nfs/dbraw/zinc/05/97/47/1092059747.db2.gz LCDOWPGAJVXALR-UHFFFAOYSA-N 0 0 335.389 2.771 10 5 EFBERN Cc1nccnc1N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001583715319 1092061406 /nfs/dbraw/zinc/06/14/06/1092061406.db2.gz DHPUEQCYZPOQMU-UHFFFAOYSA-N 0 0 340.261 2.989 10 5 EFBERN COc1cc(C(N)=O)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001583725237 1092062315 /nfs/dbraw/zinc/06/23/15/1092062315.db2.gz WSYJXFIJCUQSAD-UHFFFAOYSA-N 0 0 349.730 2.608 10 5 EFBERN Cc1ccn2ncnc2c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001583762853 1092065776 /nfs/dbraw/zinc/06/57/76/1092065776.db2.gz PRGSDXTUPZDUGT-UHFFFAOYSA-N 0 0 337.295 2.944 10 5 EFBERN NC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC001583804912 1092070623 /nfs/dbraw/zinc/07/06/23/1092070623.db2.gz JRXFZODQSKAKEW-UHFFFAOYSA-N 0 0 325.733 2.661 10 5 EFBERN CCn1[nH]c(C)nc1=NC(=O)c1cc2ccccc2c2cccnc12 ZINC001583873295 1092080493 /nfs/dbraw/zinc/08/04/93/1092080493.db2.gz ZDWOOYLIEVLOEK-UHFFFAOYSA-N 0 0 331.379 2.982 10 5 EFBERN COC[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001583876294 1092080534 /nfs/dbraw/zinc/08/05/34/1092080534.db2.gz BWYONXQOSWUGQV-OAHLLOKOSA-N 0 0 348.330 2.860 10 5 EFBERN CN(C)c1ncccc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001583955829 1092089700 /nfs/dbraw/zinc/08/97/00/1092089700.db2.gz WLXGGFWBCCRLHC-UHFFFAOYSA-N 0 0 342.355 2.657 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(OC(C)(C)C)n2)n1 ZINC001583987620 1092094230 /nfs/dbraw/zinc/09/42/30/1092094230.db2.gz HSQGULUYFMFSPU-UHFFFAOYSA-N 0 0 344.371 2.801 10 5 EFBERN C[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC001584213299 1092128049 /nfs/dbraw/zinc/12/80/49/1092128049.db2.gz QDRBHWAVNLROJR-BDJLRTHQSA-N 0 0 340.335 2.554 10 5 EFBERN CC[C@@H](OC(=O)c1cc2ncccn2n1)c1cccc([N+](=O)[O-])c1 ZINC001584250563 1092132207 /nfs/dbraw/zinc/13/22/07/1092132207.db2.gz MYGZEAZAZRQNAC-CQSZACIVSA-N 0 0 326.312 2.946 10 5 EFBERN CCCN1C[C@H](C(=O)O[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001584250095 1092132408 /nfs/dbraw/zinc/13/24/08/1092132408.db2.gz JKKPVXUYTMIYMF-UKRRQHHQSA-N 0 0 334.372 2.848 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1nccn1 ZINC001584279372 1092136965 /nfs/dbraw/zinc/13/69/65/1092136965.db2.gz DSNQRCRJJYLXKZ-JXMROGBWSA-N 0 0 335.323 2.827 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cn1 ZINC001584282242 1092137534 /nfs/dbraw/zinc/13/75/34/1092137534.db2.gz LINISPANNZRZBT-YHYXMXQVSA-N 0 0 340.339 2.624 10 5 EFBERN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](CO)Cc1ccccc1 ZINC001584333011 1092146311 /nfs/dbraw/zinc/14/63/11/1092146311.db2.gz RKLROMACYVJLDE-CQSZACIVSA-N 0 0 348.786 2.924 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)no1 ZINC001584354411 1092149586 /nfs/dbraw/zinc/14/95/86/1092149586.db2.gz YGAZUMZNQXWEBM-VIFPVBQESA-N 0 0 336.735 2.569 10 5 EFBERN O=C(Nc1cncc(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001584403693 1092156897 /nfs/dbraw/zinc/15/68/97/1092156897.db2.gz HHNRKIOIIRKYHM-UHFFFAOYSA-N 0 0 335.703 2.667 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001648351555 1092205789 /nfs/dbraw/zinc/20/57/89/1092205789.db2.gz MFMWXWKLYKXCLN-OAHLLOKOSA-N 0 0 325.324 2.522 10 5 EFBERN COc1ccc2c(n1)N(C)CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC001648370320 1092207847 /nfs/dbraw/zinc/20/78/47/1092207847.db2.gz RMTYEBUEMFGESY-UHFFFAOYSA-N 0 0 332.335 2.594 10 5 EFBERN O=C(NCc1ccccc1CC(F)(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC001648378800 1092208373 /nfs/dbraw/zinc/20/83/73/1092208373.db2.gz VRZBRYKPXNOHKC-UHFFFAOYSA-N 0 0 327.262 2.958 10 5 EFBERN Cc1ncoc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001648391889 1092210120 /nfs/dbraw/zinc/21/01/20/1092210120.db2.gz NWQQWLJCNFBMCW-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC(Nc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001648420372 1092212228 /nfs/dbraw/zinc/21/22/28/1092212228.db2.gz NDRMLMNQFNFXRH-UHFFFAOYSA-N 0 0 347.350 2.517 10 5 EFBERN CCOc1cc(CN2CC[C@@H](C(=O)OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001648399589 1092212406 /nfs/dbraw/zinc/21/24/06/1092212406.db2.gz JHSVGHZPZXCOPK-TZMCWYRMSA-N 0 0 336.388 2.767 10 5 EFBERN CC(C)(C)[C@@H]1CNC(=O)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001648430000 1092214576 /nfs/dbraw/zinc/21/45/76/1092214576.db2.gz ZTRRKTMYVNSOAE-ZDUSSCGKSA-N 0 0 325.796 2.595 10 5 EFBERN Nc1c(C(=O)Nc2ccc3c(c2)COC(=O)N3)cc(F)cc1[N+](=O)[O-] ZINC001584625422 1092222629 /nfs/dbraw/zinc/22/26/29/1092222629.db2.gz RQVLYQYAYSQBOR-UHFFFAOYSA-N 0 0 346.274 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](O)c2cccnc2)cc1Cl ZINC001648502558 1092225470 /nfs/dbraw/zinc/22/54/70/1092225470.db2.gz ZMPZBVGWVGTSEA-OAHLLOKOSA-N 0 0 349.774 2.757 10 5 EFBERN COCc1cncc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC001584643987 1092231653 /nfs/dbraw/zinc/23/16/53/1092231653.db2.gz FENIAKGSHWQAQL-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@H]2CCCO2)c1 ZINC001648617756 1092241159 /nfs/dbraw/zinc/24/11/59/1092241159.db2.gz VVUXQVUPZKVWOO-IAGOWNOFSA-N 0 0 348.399 2.915 10 5 EFBERN CN(CCNC(=O)c1cccc(F)c1F)Cc1cccc([N+](=O)[O-])c1 ZINC001480908652 1092242513 /nfs/dbraw/zinc/24/25/13/1092242513.db2.gz YTVPUBFEXQHDIG-UHFFFAOYSA-N 0 0 349.337 2.735 10 5 EFBERN CCOC(=O)c1cc(C(=O)Nc2ccnn2C2CC2)cc([N+](=O)[O-])c1 ZINC001648631413 1092243485 /nfs/dbraw/zinc/24/34/85/1092243485.db2.gz LVIIMTAFUFXXEA-UHFFFAOYSA-N 0 0 344.327 2.555 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NOCCOc1ccccc1 ZINC001648685009 1092252360 /nfs/dbraw/zinc/25/23/60/1092252360.db2.gz KSYGCVORXGYKHX-FLIBITNWSA-N 0 0 328.324 2.735 10 5 EFBERN O=C(NOCCOc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001648687810 1092253940 /nfs/dbraw/zinc/25/39/40/1092253940.db2.gz CISSZRIWCVLZJB-UHFFFAOYSA-N 0 0 336.731 2.989 10 5 EFBERN C[C@@H]1OCC[C@]1(C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001584721596 1092260823 /nfs/dbraw/zinc/26/08/23/1092260823.db2.gz DOKQODRMKZQELU-BTDLBPIBSA-N 0 0 329.356 2.628 10 5 EFBERN CCOc1cc(C(=O)Nc2c[nH]nc2Cl)c([N+](=O)[O-])cc1OC ZINC001648739457 1092261796 /nfs/dbraw/zinc/26/17/96/1092261796.db2.gz NOYLZOPUDSKYLC-UHFFFAOYSA-N 0 0 340.723 2.631 10 5 EFBERN O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001648749737 1092263222 /nfs/dbraw/zinc/26/32/22/1092263222.db2.gz AVPJRWHBSNCKQS-CQSZACIVSA-N 0 0 338.722 2.851 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC001584760904 1092274595 /nfs/dbraw/zinc/27/45/95/1092274595.db2.gz SSGKDJKNVJPHFA-UHFFFAOYSA-N 0 0 347.302 2.781 10 5 EFBERN Cc1ncc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC001584771140 1092279961 /nfs/dbraw/zinc/27/99/61/1092279961.db2.gz POSVTMWSPWNJBV-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN CCCCCCN(Cc1ccc(C)o1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001584786081 1092285322 /nfs/dbraw/zinc/28/53/22/1092285322.db2.gz RIMVSHVZKWWBBX-UHFFFAOYSA-N 0 0 349.391 2.697 10 5 EFBERN O=C(NC[C@@H]1CSc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC001584786334 1092286087 /nfs/dbraw/zinc/28/60/87/1092286087.db2.gz BLTASXBGPWFGSM-CYBMUJFWSA-N 0 0 330.365 2.878 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(c(=O)[nH]2)CCCC3)c1C ZINC001584800445 1092289659 /nfs/dbraw/zinc/28/96/59/1092289659.db2.gz QRRYTWUVHBPIGL-UHFFFAOYSA-N 0 0 342.355 2.838 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])o1)CCC2 ZINC001584836899 1092301792 /nfs/dbraw/zinc/30/17/92/1092301792.db2.gz RLWGOMZVWFVJQH-UHFFFAOYSA-N 0 0 330.296 2.567 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001584916587 1092325200 /nfs/dbraw/zinc/32/52/00/1092325200.db2.gz WAXOSTPHIHTWBY-CHWSQXEVSA-N 0 0 338.323 2.659 10 5 EFBERN Cn1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(-c2ccco2)n1 ZINC001584945722 1092333708 /nfs/dbraw/zinc/33/37/08/1092333708.db2.gz BZLKSVUWNBZCGN-UHFFFAOYSA-N 0 0 344.302 2.909 10 5 EFBERN Cc1cnc(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001584955975 1092337594 /nfs/dbraw/zinc/33/75/94/1092337594.db2.gz IABUEHRMBWGOQI-YVMONPNESA-N 0 0 325.368 2.979 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)ccc1C(N)=O ZINC001584964627 1092338648 /nfs/dbraw/zinc/33/86/48/1092338648.db2.gz NSVNIPDVXVPNBZ-UHFFFAOYSA-N 0 0 345.380 2.976 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2CCc3ccc(O)cc32)c(N)c([N+](=O)[O-])c1 ZINC001584973842 1092343456 /nfs/dbraw/zinc/34/34/56/1092343456.db2.gz RIOHYTPICPYBTP-CQSZACIVSA-N 0 0 327.340 2.608 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc2cc[nH]c2cn1 ZINC001585007573 1092350589 /nfs/dbraw/zinc/35/05/89/1092350589.db2.gz FQRPQKFNYAWECJ-UHFFFAOYSA-N 0 0 326.312 2.879 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)n1 ZINC001585151831 1092385226 /nfs/dbraw/zinc/38/52/26/1092385226.db2.gz JEXFMIAMWOPRPV-AWEZNQCLSA-N 0 0 340.339 2.502 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Oc2ccc(Cl)cc2OC)n1 ZINC001585293171 1092437443 /nfs/dbraw/zinc/43/74/43/1092437443.db2.gz KEPGFZAKZDHLBE-UHFFFAOYSA-N 0 0 325.708 2.692 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(F)cc1F ZINC001585380634 1092467477 /nfs/dbraw/zinc/46/74/77/1092467477.db2.gz MFVFLWKLZUHEMP-XOYTVWKISA-N 0 0 348.305 2.736 10 5 EFBERN O=C(Nc1ncc(-c2cnccn2)s1)c1c(F)cccc1[N+](=O)[O-] ZINC001585450802 1092487809 /nfs/dbraw/zinc/48/78/09/1092487809.db2.gz MXDFQXSKBPFPHW-UHFFFAOYSA-N 0 0 345.315 2.900 10 5 EFBERN C[C@H](CSCc1ccccc1)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001585617095 1092524291 /nfs/dbraw/zinc/52/42/91/1092524291.db2.gz MYNYZEOGRWXMTN-LLVKDONJSA-N 0 0 334.401 2.836 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001649487633 1092530837 /nfs/dbraw/zinc/53/08/37/1092530837.db2.gz IHULKFMORZODOA-CQSZACIVSA-N 0 0 345.742 2.867 10 5 EFBERN O=C(N[C@@H]1CCOC12CCCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001585770726 1092567049 /nfs/dbraw/zinc/56/70/49/1092567049.db2.gz DGONVRLJYKGEJV-CQSZACIVSA-N 0 0 349.343 2.725 10 5 EFBERN CC(=O)N[C@](C)(C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)C(C)C ZINC001585836738 1092590857 /nfs/dbraw/zinc/59/08/57/1092590857.db2.gz HAFAFAILEZYXSX-KRWDZBQOSA-N 0 0 344.371 2.632 10 5 EFBERN O=C(COCc1cccnc1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001585836124 1092591214 /nfs/dbraw/zinc/59/12/14/1092591214.db2.gz ATKNGSZLMMRKPM-UHFFFAOYSA-N 0 0 338.323 2.693 10 5 EFBERN CCc1nnsc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585837435 1092591557 /nfs/dbraw/zinc/59/15/57/1092591557.db2.gz LEFPQHOAALMUSG-UHFFFAOYSA-N 0 0 329.341 2.809 10 5 EFBERN C[C@H](Oc1cccnc1)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585837904 1092592379 /nfs/dbraw/zinc/59/23/79/1092592379.db2.gz PAQMWBAQIHHFJF-NSHDSACASA-N 0 0 338.323 2.944 10 5 EFBERN CCOc1cncc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC001585854554 1092597831 /nfs/dbraw/zinc/59/78/31/1092597831.db2.gz ZINZKHIXFZQCHJ-UHFFFAOYSA-N 0 0 339.311 2.584 10 5 EFBERN COc1ccc(COCC(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)cn1 ZINC001585853898 1092598082 /nfs/dbraw/zinc/59/80/82/1092598082.db2.gz QFJXWKFBCGPJFI-UHFFFAOYSA-N 0 0 349.318 2.601 10 5 EFBERN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)n1ccnc1 ZINC001585907584 1092616695 /nfs/dbraw/zinc/61/66/95/1092616695.db2.gz YEKDIRIDCYJLQF-UHFFFAOYSA-N 0 0 339.355 2.505 10 5 EFBERN CCOc1cc(NC(=O)c2c(C)nn3cccnc23)ccc1[N+](=O)[O-] ZINC001585926247 1092622284 /nfs/dbraw/zinc/62/22/84/1092622284.db2.gz ASNFEHHBLCMWNC-UHFFFAOYSA-N 0 0 341.327 2.597 10 5 EFBERN CCOc1cc(NC(=O)c2cncc(C(C)=O)c2)ccc1[N+](=O)[O-] ZINC001585927145 1092623480 /nfs/dbraw/zinc/62/34/80/1092623480.db2.gz SCHFABJJUOONMH-UHFFFAOYSA-N 0 0 329.312 2.843 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@@H]1CCCOC1 ZINC001585928458 1092623578 /nfs/dbraw/zinc/62/35/78/1092623578.db2.gz YQEHRCXFKMTDJC-LLVKDONJSA-N 0 0 348.334 2.843 10 5 EFBERN CCOc1cc(NC(=O)c2cn(C(C)(C)C)nn2)ccc1[N+](=O)[O-] ZINC001585927211 1092623613 /nfs/dbraw/zinc/62/36/13/1092623613.db2.gz UZOIYWNSZVXJBU-UHFFFAOYSA-N 0 0 333.348 2.592 10 5 EFBERN O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)nc1 ZINC001167549632 1092649116 /nfs/dbraw/zinc/64/91/16/1092649116.db2.gz OUPUECBQQZOMHE-UHFFFAOYSA-N 0 0 332.747 2.598 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(Cl)ccc1F ZINC001586037611 1092663444 /nfs/dbraw/zinc/66/34/44/1092663444.db2.gz ZQXMORWVBLDCKG-UHFFFAOYSA-N 0 0 341.638 2.910 10 5 EFBERN COC(=O)Cc1ccccc1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001586108674 1092684024 /nfs/dbraw/zinc/68/40/24/1092684024.db2.gz HQODPJKAIHHTDB-UHFFFAOYSA-N 0 0 342.351 2.549 10 5 EFBERN O=C(Nc1cnc2ccnn2c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001586207122 1092710070 /nfs/dbraw/zinc/71/00/70/1092710070.db2.gz PPYGDWZEFXSADH-UHFFFAOYSA-N 0 0 337.339 2.698 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn2ccccc12 ZINC001586206856 1092710151 /nfs/dbraw/zinc/71/01/51/1092710151.db2.gz ISVNKYKEAJZIRT-UHFFFAOYSA-N 0 0 325.328 2.561 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cnc3ccnn3c2)cc1Cl ZINC001586207484 1092710342 /nfs/dbraw/zinc/71/03/42/1092710342.db2.gz YVYSBKICXYFJOI-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN NC(=O)c1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cs1 ZINC001586243670 1092715829 /nfs/dbraw/zinc/71/58/29/1092715829.db2.gz FOSQMAJRZYIBCL-UHFFFAOYSA-N 0 0 348.384 2.586 10 5 EFBERN CCc1nccc(C)c1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001586241738 1092715876 /nfs/dbraw/zinc/71/58/76/1092715876.db2.gz DUTHQJIWGQISJU-UHFFFAOYSA-N 0 0 339.355 2.849 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1cc(C)ccc1[N+](=O)[O-])CC2 ZINC001586324934 1092723505 /nfs/dbraw/zinc/72/35/05/1092723505.db2.gz SHVSFGGYTBEYLO-UHFFFAOYSA-N 0 0 340.335 2.893 10 5 EFBERN CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccon1 ZINC001586334120 1092723526 /nfs/dbraw/zinc/72/35/26/1092723526.db2.gz PILMBKKDSXADDH-UHFFFAOYSA-N 0 0 332.135 2.683 10 5 EFBERN O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001586359141 1092727366 /nfs/dbraw/zinc/72/73/66/1092727366.db2.gz ZBDIRHIZEDNMJE-UHFFFAOYSA-N 0 0 345.265 2.910 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000588511195 1092730757 /nfs/dbraw/zinc/73/07/57/1092730757.db2.gz MIRCPBAFLHMACU-UDZWXDPDSA-N 0 0 347.367 2.879 10 5 EFBERN O=C(c1nnc(C2CC2)o1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001586421501 1092733133 /nfs/dbraw/zinc/73/31/33/1092733133.db2.gz YWTIQZOZCURQET-HNNXBMFYSA-N 0 0 346.368 2.743 10 5 EFBERN CC(C)(C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC001586419730 1092733317 /nfs/dbraw/zinc/73/33/17/1092733317.db2.gz HTTZQWQZRNTOCG-LBPRGKRZSA-N 0 0 341.795 2.658 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CCOc2cc(F)c(F)cc21 ZINC001586426419 1092733612 /nfs/dbraw/zinc/73/36/12/1092733612.db2.gz TXCDPXGKPLRADM-UHFFFAOYSA-N 0 0 326.280 2.974 10 5 EFBERN Cc1cc(NC(=O)c2cccc(N3CCNC3=O)c2)cc([N+](=O)[O-])c1 ZINC001586463995 1092736599 /nfs/dbraw/zinc/73/65/99/1092736599.db2.gz PWWKHMPRMFPGGY-UHFFFAOYSA-N 0 0 340.339 2.685 10 5 EFBERN COC(=O)c1cccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001586497245 1092738776 /nfs/dbraw/zinc/73/87/76/1092738776.db2.gz LVGLORSLJQLAIU-JTQLQIEISA-N 0 0 329.312 2.519 10 5 EFBERN COc1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cnc1OC ZINC001586523829 1092741826 /nfs/dbraw/zinc/74/18/26/1092741826.db2.gz HFKSWFNSNNSJRC-UHFFFAOYSA-N 0 0 349.318 2.717 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cn(C)nc2-c2ccco2)c1 ZINC001586612038 1092746561 /nfs/dbraw/zinc/74/65/61/1092746561.db2.gz YWXHBEBGTIVVNV-UHFFFAOYSA-N 0 0 342.311 2.849 10 5 EFBERN O=C(Nc1nn(CC(F)F)c2ccccc12)c1ccc([N+](=O)[O-])cn1 ZINC001586626204 1092747569 /nfs/dbraw/zinc/74/75/69/1092747569.db2.gz ZYTGYJJXCIJDRB-UHFFFAOYSA-N 0 0 347.281 2.857 10 5 EFBERN COc1cc(C(=O)Nc2nccc(SC)n2)c([N+](=O)[O-])cc1F ZINC001586646286 1092748397 /nfs/dbraw/zinc/74/83/97/1092748397.db2.gz CHRPOPNIZACRCV-UHFFFAOYSA-N 0 0 338.320 2.507 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCc2cc(F)cc(F)c2C1 ZINC001586650922 1092749498 /nfs/dbraw/zinc/74/94/98/1092749498.db2.gz ARBDUGCPHPPAHY-UHFFFAOYSA-N 0 0 348.305 2.837 10 5 EFBERN O=C(Nc1ccc(F)nn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001586655842 1092749825 /nfs/dbraw/zinc/74/98/25/1092749825.db2.gz KYCCDZDQXWMRKV-UHFFFAOYSA-N 0 0 341.096 2.539 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001586732606 1092754105 /nfs/dbraw/zinc/75/41/05/1092754105.db2.gz AWSRPUNRKASDPC-GFCCVEGCSA-N 0 0 349.350 2.767 10 5 EFBERN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721488 1092754678 /nfs/dbraw/zinc/75/46/78/1092754678.db2.gz VOPBCXIBXYJORG-VXGBXAGGSA-N 0 0 345.355 2.666 10 5 EFBERN C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721124 1092754795 /nfs/dbraw/zinc/75/47/95/1092754795.db2.gz UCBPDGQJJVVWBM-NSHDSACASA-N 0 0 339.355 2.694 10 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/nfs/dbraw/zinc/77/14/49/1092771449.db2.gz FAUXZABVMXLHIA-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN CNC(=O)Oc1cccc(OC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC001586958846 1092772533 /nfs/dbraw/zinc/77/25/33/1092772533.db2.gz AVUOORXNZQVTMJ-UHFFFAOYSA-N 0 0 348.286 2.980 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)o1 ZINC001586995471 1092774713 /nfs/dbraw/zinc/77/47/13/1092774713.db2.gz QPACOCLUCXBXNR-UHFFFAOYSA-N 0 0 341.279 2.775 10 5 EFBERN Cc1c(CCC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cnn1C ZINC001587002598 1092774758 /nfs/dbraw/zinc/77/47/58/1092774758.db2.gz LAMBEEKDKFRIMR-UHFFFAOYSA-N 0 0 339.355 2.756 10 5 EFBERN CCn1ccc(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)n1 ZINC001586995551 1092775341 /nfs/dbraw/zinc/77/53/41/1092775341.db2.gz VINXZUWOUPBDAD-UHFFFAOYSA-N 0 0 325.328 2.541 10 5 EFBERN O=C(CSc1nncs1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001586994602 1092775566 /nfs/dbraw/zinc/77/55/66/1092775566.db2.gz ACGJDPXPECXUOI-UHFFFAOYSA-N 0 0 347.381 2.725 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2ccc3ncn(C)c3n2)cc1[N+](=O)[O-] ZINC001587038027 1092777595 /nfs/dbraw/zinc/77/75/95/1092777595.db2.gz XQJFSUQPTPQPSP-NSHDSACASA-N 0 0 339.355 2.676 10 5 EFBERN CCOc1cc(NC(=O)C2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001587067746 1092778828 /nfs/dbraw/zinc/77/88/28/1092778828.db2.gz VMYXKPDPMXEDNU-UHFFFAOYSA-N 0 0 349.387 2.627 10 5 EFBERN O=C(Nc1ccc(N2CCC2=O)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001587139149 1092785996 /nfs/dbraw/zinc/78/59/96/1092785996.db2.gz YGFPVXUFANQQHW-UHFFFAOYSA-N 0 0 347.277 2.862 10 5 EFBERN O=C(Cc1ccc(F)cc1F)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587144709 1092786053 /nfs/dbraw/zinc/78/60/53/1092786053.db2.gz VGPAAKMFALHLTP-UHFFFAOYSA-N 0 0 338.222 2.929 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001587135118 1092786291 /nfs/dbraw/zinc/78/62/91/1092786291.db2.gz UJBPAGGQUJCZMH-UHFFFAOYSA-N 0 0 344.352 2.595 10 5 EFBERN CCn1nc(C2CC2)cc1C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587147899 1092786803 /nfs/dbraw/zinc/78/68/03/1092786803.db2.gz HKPDHAJTBBCGEL-UHFFFAOYSA-N 0 0 346.299 2.816 10 5 EFBERN Cc1cnn(C)c1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001587170932 1092789659 /nfs/dbraw/zinc/78/96/59/1092789659.db2.gz MFSFYISJHKMXBK-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC001587166242 1092790307 /nfs/dbraw/zinc/79/03/07/1092790307.db2.gz RVWSYBCNOXTJHG-UHFFFAOYSA-N 0 0 342.355 2.923 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1cccnc1 ZINC001587255122 1092794746 /nfs/dbraw/zinc/79/47/46/1092794746.db2.gz LJVPWAYLWKZUSK-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(Cn2cccn2)on1 ZINC001587268555 1092796581 /nfs/dbraw/zinc/79/65/81/1092796581.db2.gz JZEDNTDOMJCDMO-UHFFFAOYSA-N 0 0 347.718 2.733 10 5 EFBERN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587270587 1092797085 /nfs/dbraw/zinc/79/70/85/1092797085.db2.gz BDFBDTJESKVTJN-CABCVRRESA-N 0 0 349.343 2.581 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3ccnn3c2)c1 ZINC001587295043 1092799713 /nfs/dbraw/zinc/79/97/13/1092799713.db2.gz YEVULEMKWFIXAJ-UHFFFAOYSA-N 0 0 329.341 2.612 10 5 EFBERN Cc1cc(F)cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC001587295911 1092799954 /nfs/dbraw/zinc/79/99/54/1092799954.db2.gz BOGYUZJAHSPDIT-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN C[C@@H](CC(=O)Nc1c([N+](=O)[O-])ncn1C)c1c[nH]c2ccccc21 ZINC001587348591 1092804409 /nfs/dbraw/zinc/80/44/09/1092804409.db2.gz RZBFHSQYLUGVHP-JTQLQIEISA-N 0 0 327.344 2.942 10 5 EFBERN Cc1c(C(=O)Nc2c([N+](=O)[O-])ncn2C)sc2nccc(C)c12 ZINC001587348251 1092804593 /nfs/dbraw/zinc/80/45/93/1092804593.db2.gz MTHXQLLOQDXWGV-UHFFFAOYSA-N 0 0 331.357 2.807 10 5 EFBERN O=C(NCCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1Cl ZINC001587369749 1092806074 /nfs/dbraw/zinc/80/60/74/1092806074.db2.gz HPKPTMHOHIJHLW-UHFFFAOYSA-N 0 0 348.742 2.949 10 5 EFBERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc21 ZINC001587423799 1092812150 /nfs/dbraw/zinc/81/21/50/1092812150.db2.gz XZFJDBGDHWIMGK-JTQLQIEISA-N 0 0 340.339 2.712 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC2 ZINC001587445480 1092813120 /nfs/dbraw/zinc/81/31/20/1092813120.db2.gz URZRCZJXYLUXFQ-UHFFFAOYSA-N 0 0 327.340 2.970 10 5 EFBERN COc1cc(OCC(=O)Nc2cccc3c2OCC3)ccc1[N+](=O)[O-] ZINC001587448652 1092813596 /nfs/dbraw/zinc/81/35/96/1092813596.db2.gz BOTHLHWEPXOSAA-UHFFFAOYSA-N 0 0 344.323 2.556 10 5 EFBERN O=C(Nc1cccc2nsnc21)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001587465382 1092814393 /nfs/dbraw/zinc/81/43/93/1092814393.db2.gz LWTQDSMAPRACGM-UHFFFAOYSA-N 0 0 344.308 2.581 10 5 EFBERN Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)sn1 ZINC001587478716 1092816520 /nfs/dbraw/zinc/81/65/20/1092816520.db2.gz FBEVTHKIMXDICN-UHFFFAOYSA-N 0 0 335.341 2.773 10 5 EFBERN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587646613 1092836151 /nfs/dbraw/zinc/83/61/51/1092836151.db2.gz CHRKCXMIJZCOSN-JSGCOSHPSA-N 0 0 340.383 2.665 10 5 EFBERN CCCOc1cncc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001587675345 1092840305 /nfs/dbraw/zinc/84/03/05/1092840305.db2.gz KOBQSLKYDIHOOG-UHFFFAOYSA-N 0 0 341.327 2.907 10 5 EFBERN COc1cccc(CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001587707810 1092843595 /nfs/dbraw/zinc/84/35/95/1092843595.db2.gz GCEDZVOSLTYMJS-UHFFFAOYSA-N 0 0 329.356 2.592 10 5 EFBERN Cn1cnc2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)nc21 ZINC001587708541 1092844100 /nfs/dbraw/zinc/84/41/00/1092844100.db2.gz SHPXWAGCEVYCCZ-UHFFFAOYSA-N 0 0 339.355 2.542 10 5 EFBERN O=C(Nc1ccnc(F)c1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001587730983 1092845476 /nfs/dbraw/zinc/84/54/76/1092845476.db2.gz RLSWRHBZJWDVEH-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@H]1C ZINC001587740422 1092846168 /nfs/dbraw/zinc/84/61/68/1092846168.db2.gz MIAHPOWLGWLDFB-RYUDHWBXSA-N 0 0 329.356 2.779 10 5 EFBERN O=C(c1cnc2nccn2c1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001587767425 1092850918 /nfs/dbraw/zinc/85/09/18/1092850918.db2.gz HDJZBQGETGXTQS-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC001587804440 1092855459 /nfs/dbraw/zinc/85/54/59/1092855459.db2.gz KUGXLASWLGFSAD-UHFFFAOYSA-N 0 0 333.731 2.870 10 5 EFBERN CN(C)c1cncc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC001587826889 1092857383 /nfs/dbraw/zinc/85/73/83/1092857383.db2.gz WSZIJSRZHNYKGK-UHFFFAOYSA-N 0 0 332.385 2.787 10 5 EFBERN COC(=O)[C@@H]1Cc2c(cccc2C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001587914518 1092868345 /nfs/dbraw/zinc/86/83/45/1092868345.db2.gz VCFLHZMCYGIBAE-INIZCTEOSA-N 0 0 340.335 2.648 10 5 EFBERN COC(=O)c1cnc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001587932104 1092870575 /nfs/dbraw/zinc/87/05/75/1092870575.db2.gz QURWYHGECRRSSZ-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN Cc1cccc(C(=O)C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c1 ZINC001587944482 1092872294 /nfs/dbraw/zinc/87/22/94/1092872294.db2.gz AKQSRFOIBJDLFY-UHFFFAOYSA-N 0 0 328.299 2.814 10 5 EFBERN O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001587946301 1092872325 /nfs/dbraw/zinc/87/23/25/1092872325.db2.gz PUCHSRCAZPTYKM-HNNXBMFYSA-N 0 0 346.289 2.766 10 5 EFBERN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001588020884 1092884494 /nfs/dbraw/zinc/88/44/94/1092884494.db2.gz GKGCEZLCXHMOTF-MEDUHNTESA-N 0 0 332.331 2.976 10 5 EFBERN Cc1ccc(COC(=O)Cn2ncc3ccccc32)cc1[N+](=O)[O-] ZINC001588033169 1092885624 /nfs/dbraw/zinc/88/56/24/1092885624.db2.gz AJNPVNFDWLUSLN-UHFFFAOYSA-N 0 0 325.324 2.996 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC001588044177 1092885956 /nfs/dbraw/zinc/88/59/56/1092885956.db2.gz LJWMYHHKZRZNEW-UHFFFAOYSA-N 0 0 345.286 2.774 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN(C)c1ccccn1 ZINC001588309600 1092915732 /nfs/dbraw/zinc/91/57/32/1092915732.db2.gz WITHDMFQNPAQSM-UHFFFAOYSA-N 0 0 328.372 2.555 10 5 EFBERN O=C(Nc1ccccc1-n1ccnn1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001125633709 1093149913 /nfs/dbraw/zinc/14/99/13/1093149913.db2.gz MVJPXMANXWWDFA-LSDHHAIUSA-N 0 0 349.350 2.918 10 5 EFBERN CN(CCNC(=O)c1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001267199894 1093170286 /nfs/dbraw/zinc/17/02/86/1093170286.db2.gz XYCNJVMNGBNCOK-UHFFFAOYSA-N 0 0 349.337 2.735 10 5 EFBERN CC/C=C(\C)C(=O)NCCN(CC)Cc1csc([N+](=O)[O-])c1 ZINC001267238418 1093321616 /nfs/dbraw/zinc/32/16/16/1093321616.db2.gz NADUFLRNGAOOFS-WUXMJOGZSA-N 0 0 325.434 2.951 10 5 EFBERN COc1c(C(=O)N2CCC=C(Br)C2)cccc1[N+](=O)[O-] ZINC000404546252 1093369729 /nfs/dbraw/zinc/36/97/29/1093369729.db2.gz MMGWXBMPSUZBBS-UHFFFAOYSA-N 0 0 341.161 2.728 10 5 EFBERN C/C(=C/C(=O)N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000843616547 1093468164 /nfs/dbraw/zinc/46/81/64/1093468164.db2.gz LXKIWJCIQSHRRL-SSCKCOOKSA-N 0 0 345.399 2.514 10 5 EFBERN O=C(CNc1ncc([N+](=O)[O-])c2ccccc21)NCc1ccccc1 ZINC001650622353 1093475672 /nfs/dbraw/zinc/47/56/72/1093475672.db2.gz BKENDNTXYPNFDS-UHFFFAOYSA-N 0 0 336.351 2.871 10 5 EFBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC001650652439 1093479097 /nfs/dbraw/zinc/47/90/97/1093479097.db2.gz JOXQPZSFEPRTCG-AWEZNQCLSA-N 0 0 349.387 2.654 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@H]3c3ncon3)c2c1 ZINC001650719189 1093486762 /nfs/dbraw/zinc/48/67/62/1093486762.db2.gz FMFBPQXLRNTOCC-ZDUSSCGKSA-N 0 0 341.327 2.876 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(-c2ccccc2F)no1 ZINC001650774969 1093492361 /nfs/dbraw/zinc/49/23/61/1093492361.db2.gz CXEZINGXBZQRNV-UHFFFAOYSA-N 0 0 345.290 2.533 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Oc2cccc(-n3cncn3)c2)cc1F ZINC001650782389 1093494490 /nfs/dbraw/zinc/49/44/90/1093494490.db2.gz TZMHKJNBFAQYOF-UHFFFAOYSA-N 0 0 330.275 2.599 10 5 EFBERN O=C(N[C@@H](Cc1cccnc1)C1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001650779713 1093494558 /nfs/dbraw/zinc/49/45/58/1093494558.db2.gz ZLOGBUMCVISHIR-HNNXBMFYSA-N 0 0 328.372 2.849 10 5 EFBERN CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001650851825 1093499441 /nfs/dbraw/zinc/49/94/41/1093499441.db2.gz XBEKGEFEOIENNK-INIZCTEOSA-N 0 0 326.352 2.915 10 5 EFBERN Cc1c[nH]c(C2(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CCC2)n1 ZINC001650880579 1093503052 /nfs/dbraw/zinc/50/30/52/1093503052.db2.gz OBHUTUTYYKIWOD-UHFFFAOYSA-N 0 0 339.355 2.917 10 5 EFBERN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001650953838 1093513220 /nfs/dbraw/zinc/51/32/20/1093513220.db2.gz ZAJWZGGILBOHRB-ZIAGYGMSSA-N 0 0 341.367 2.837 10 5 EFBERN CCC[C@H](C)CCNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC001651097098 1093527148 /nfs/dbraw/zinc/52/71/48/1093527148.db2.gz DHMJIZTVCYVCNS-AAEUAGOBSA-N 0 0 339.440 2.770 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)Cc2cccc(F)c2)c1 ZINC001651101615 1093527497 /nfs/dbraw/zinc/52/74/97/1093527497.db2.gz NHSJHPWWYFRPFL-AWEZNQCLSA-N 0 0 348.330 2.536 10 5 EFBERN NC(=O)[C@H]1CC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001651161099 1093534342 /nfs/dbraw/zinc/53/43/42/1093534342.db2.gz QDOVOLNSJRPLRQ-HAQNSBGRSA-N 0 0 328.372 2.847 10 5 EFBERN COC(=O)c1ccnc(N[C@@H](C)c2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC001651166495 1093534965 /nfs/dbraw/zinc/53/49/65/1093534965.db2.gz VQGWFEBHKGBOBQ-VIFPVBQESA-N 0 0 341.327 2.826 10 5 EFBERN COC(=O)C1(C)CN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001651171800 1093535176 /nfs/dbraw/zinc/53/51/76/1093535176.db2.gz NNYHMSJAELYNDK-UHFFFAOYSA-N 0 0 335.747 2.796 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1SCCc1nn[nH]n1 ZINC001651166613 1093535253 /nfs/dbraw/zinc/53/52/53/1093535253.db2.gz ZXEBELUHLZVPRS-UHFFFAOYSA-N 0 0 336.764 2.644 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@]1(CO)CCc2ccccc21 ZINC001651206050 1093538958 /nfs/dbraw/zinc/53/89/58/1093538958.db2.gz REXDVAJGZWPJRF-HXUWFJFHSA-N 0 0 349.390 2.853 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-c2nncnn2)cc1 ZINC001651200231 1093539537 /nfs/dbraw/zinc/53/95/37/1093539537.db2.gz SZVRTAOHBFKQKI-UHFFFAOYSA-N 0 0 343.734 2.502 10 5 EFBERN COc1ccc(N2C[C@H](Nc3ccc([N+](=O)[O-])cc3F)CC2=O)cc1 ZINC001651226543 1093542310 /nfs/dbraw/zinc/54/23/10/1093542310.db2.gz DIBCBEOUFJKPQG-LLVKDONJSA-N 0 0 345.330 2.960 10 5 EFBERN CCc1cc(N[C@@H]2C[C@]2(C)OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651266602 1093546445 /nfs/dbraw/zinc/54/64/45/1093546445.db2.gz MDHSWEKYMGEYCZ-PBHICJAKSA-N 0 0 328.372 2.625 10 5 EFBERN COC(=O)c1coc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c1 ZINC001651294228 1093551205 /nfs/dbraw/zinc/55/12/05/1093551205.db2.gz UJNBSUVBKLAWMX-UHFFFAOYSA-N 0 0 345.286 2.696 10 5 EFBERN C[C@H]1c2sccc2CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001593663092 1094407269 /nfs/dbraw/zinc/40/72/69/1094407269.db2.gz ZWQUPKDXDBGHJW-LURJTMIESA-N 0 0 326.765 2.792 10 5 EFBERN C=CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001593771006 1094411426 /nfs/dbraw/zinc/41/14/26/1094411426.db2.gz RVGRCNUDOQSAFV-UHFFFAOYSA-N 0 0 339.351 2.992 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(c2cnc3ccccc3n2)C1 ZINC001593888827 1094413595 /nfs/dbraw/zinc/41/35/95/1094413595.db2.gz BULRETLVBMRYQW-UHFFFAOYSA-N 0 0 348.362 2.707 10 5 EFBERN COc1nscc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001593910185 1094414108 /nfs/dbraw/zinc/41/41/08/1094414108.db2.gz XIMUECSTMPFUHN-UHFFFAOYSA-N 0 0 328.737 2.548 10 5 EFBERN O=C(Oc1cccc(F)c1F)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001125740281 1094428693 /nfs/dbraw/zinc/42/86/93/1094428693.db2.gz CAYNCFKJPWOYPN-UHFFFAOYSA-N 0 0 346.249 2.673 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccncc1Br ZINC001594621106 1094431564 /nfs/dbraw/zinc/43/15/64/1094431564.db2.gz KCESNMHURBFQTO-SSDOTTSWSA-N 0 0 339.149 2.571 10 5 EFBERN CC(=O)C1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001594963528 1094446647 /nfs/dbraw/zinc/44/66/47/1094446647.db2.gz YMMQOHXYHVBJBT-UHFFFAOYSA-N 0 0 341.367 2.771 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H](O)c1ccccc1 ZINC001595022163 1094451262 /nfs/dbraw/zinc/45/12/62/1094451262.db2.gz ZXCOULSKVYRMKG-JKSUJKDBSA-N 0 0 332.331 2.976 10 5 EFBERN C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001595524381 1094474982 /nfs/dbraw/zinc/47/49/82/1094474982.db2.gz DHGFEKVQUHVWPY-LLVKDONJSA-N 0 0 340.339 2.528 10 5 EFBERN O=C(NCc1cccc2c1CCOC2)c1c(F)cccc1[N+](=O)[O-] ZINC001595557948 1094477101 /nfs/dbraw/zinc/47/71/01/1094477101.db2.gz DABFIEKMKCYJEO-UHFFFAOYSA-N 0 0 330.315 2.737 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCCO)cc1 ZINC001595571616 1094478385 /nfs/dbraw/zinc/47/83/85/1094478385.db2.gz FXUPDJNLXKWGQX-UHFFFAOYSA-N 0 0 334.303 2.666 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC001595613611 1094479823 /nfs/dbraw/zinc/47/98/23/1094479823.db2.gz MKNNHIMFJDAIJU-AWEZNQCLSA-N 0 0 340.383 2.894 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1Cc2c[nH]nc2C[C@H](C)C1 ZINC001595667314 1094482604 /nfs/dbraw/zinc/48/26/04/1094482604.db2.gz NNHGZUYMDZUVJX-VIFPVBQESA-N 0 0 332.335 2.600 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001595683601 1094485984 /nfs/dbraw/zinc/48/59/84/1094485984.db2.gz RVAYKUOPPMVHPP-XQQFMLRXSA-N 0 0 342.399 2.956 10 5 EFBERN Cc1cc(C=O)c(O)c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001595778599 1094492793 /nfs/dbraw/zinc/49/27/93/1094492793.db2.gz DCFORKZJHLSGKV-NSHDSACASA-N 0 0 328.324 2.912 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nnc([C@H]2CCCO2)s1 ZINC001595811669 1094495761 /nfs/dbraw/zinc/49/57/61/1094495761.db2.gz YGJBFCSLRVRRKM-VVEJJEBESA-N 0 0 346.368 2.950 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1c2c(ccc1F)OCO2 ZINC001595916108 1094503947 /nfs/dbraw/zinc/50/39/47/1094503947.db2.gz BNBJLWKBVJNAEP-UHFFFAOYSA-N 0 0 334.259 2.724 10 5 EFBERN CN(CCNC(=O)C(C)(C)C(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001480940352 1094506942 /nfs/dbraw/zinc/50/69/42/1094506942.db2.gz CLJRPXPGPOXVBN-UHFFFAOYSA-N 0 0 349.403 2.886 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC001596200415 1094519269 /nfs/dbraw/zinc/51/92/69/1094519269.db2.gz AGVGVCKAAGNSEQ-AWEZNQCLSA-N 0 0 343.339 2.641 10 5 EFBERN COc1cc(C(=O)Nc2ccsn2)c([N+](=O)[O-])cc1OC(F)F ZINC001596193487 1094519577 /nfs/dbraw/zinc/51/95/77/1094519577.db2.gz BOTNTPMQOQDNHS-UHFFFAOYSA-N 0 0 345.283 2.914 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001596210988 1094519591 /nfs/dbraw/zinc/51/95/91/1094519591.db2.gz VDCBOSZYGHDLDX-UHFFFAOYSA-N 0 0 347.718 2.780 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@H]1OCCc2ccccc21 ZINC001596200416 1094519673 /nfs/dbraw/zinc/51/96/73/1094519673.db2.gz AGVGVCKAAGNSEQ-CQSZACIVSA-N 0 0 343.339 2.641 10 5 EFBERN CO[C@@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001596217617 1094519886 /nfs/dbraw/zinc/51/98/86/1094519886.db2.gz ZXAMZDUYCLFYME-GWCFXTLKSA-N 0 0 339.344 2.556 10 5 EFBERN O=C(N[C@H]1COc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1Cl ZINC001596233178 1094521197 /nfs/dbraw/zinc/52/11/97/1094521197.db2.gz MKXBGJHXGJZHQG-NSHDSACASA-N 0 0 346.726 2.622 10 5 EFBERN Cc1cccc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)c1[N+](=O)[O-] ZINC001596278998 1094523652 /nfs/dbraw/zinc/52/36/52/1094523652.db2.gz WQGKZZLTJZAONB-UHFFFAOYSA-N 0 0 341.323 2.511 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccccc1[N+](=O)[O-] ZINC001596290333 1094525043 /nfs/dbraw/zinc/52/50/43/1094525043.db2.gz CAZGZSTVQITCNE-UHFFFAOYSA-N 0 0 333.275 2.501 10 5 EFBERN COc1cncc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC001596308252 1094525290 /nfs/dbraw/zinc/52/52/90/1094525290.db2.gz RFXZDCZXJSXKTH-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC2CCC3(COC3)CC2)cc1[N+](=O)[O-] ZINC001596320194 1094525831 /nfs/dbraw/zinc/52/58/31/1094525831.db2.gz NCEQIZMRNFWXBD-UHFFFAOYSA-N 0 0 349.343 2.500 10 5 EFBERN COCCN(Cc1ccc(C)c(C)c1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC001596365402 1094528596 /nfs/dbraw/zinc/52/85/96/1094528596.db2.gz IBCGJTCBFKYKPI-UHFFFAOYSA-N 0 0 346.387 2.532 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccn2ccnc2c1 ZINC001596386166 1094529378 /nfs/dbraw/zinc/52/93/78/1094529378.db2.gz PPAXIPKIAWTKBK-UHFFFAOYSA-N 0 0 326.312 2.650 10 5 EFBERN COc1ccc2[nH]nc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])c2c1 ZINC001596409671 1094530960 /nfs/dbraw/zinc/53/09/60/1094530960.db2.gz KWMGGDUHDZRDGE-UHFFFAOYSA-N 0 0 344.302 2.800 10 5 EFBERN COc1ccc2[nH]nc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2c1 ZINC001596417227 1094531005 /nfs/dbraw/zinc/53/10/05/1094531005.db2.gz NZTNVOAMEJSQNC-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN C[C@@H](O)C(C)(C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001596555181 1094537385 /nfs/dbraw/zinc/53/73/85/1094537385.db2.gz PEGWSXOCVDPRNX-LLVKDONJSA-N 0 0 329.356 2.546 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCn1ccnc1C ZINC001596670294 1094540217 /nfs/dbraw/zinc/54/02/17/1094540217.db2.gz MHBQFCQAZIYQFY-UHFFFAOYSA-N 0 0 346.387 2.661 10 5 EFBERN C[C@H](NC(=O)c1[nH]cnc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001596669365 1094540579 /nfs/dbraw/zinc/54/05/79/1094540579.db2.gz UIOBSKSCXRNREU-ZETCQYMHSA-N 0 0 328.250 2.828 10 5 EFBERN CNC(=O)N(C)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001596652898 1094540743 /nfs/dbraw/zinc/54/07/43/1094540743.db2.gz CRVIOJKMYHRGSE-UHFFFAOYSA-N 0 0 342.355 2.931 10 5 EFBERN Nc1c(C(=O)Nc2ccc(F)cn2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001596759156 1094545179 /nfs/dbraw/zinc/54/51/79/1094545179.db2.gz VPYQJAZBQMSXFE-UHFFFAOYSA-N 0 0 328.662 2.756 10 5 EFBERN Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc(C)n1 ZINC001596777800 1094547016 /nfs/dbraw/zinc/54/70/16/1094547016.db2.gz LZGITFOWQXVRPB-UHFFFAOYSA-N 0 0 325.328 2.664 10 5 EFBERN O=C(OCc1nncs1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001596964833 1094556163 /nfs/dbraw/zinc/55/61/63/1094556163.db2.gz JWGHHDVNOPFJLD-UHFFFAOYSA-N 0 0 344.146 2.566 10 5 EFBERN O=C(NCCC[C@H]1C=CCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001596910145 1094552040 /nfs/dbraw/zinc/55/20/40/1094552040.db2.gz MIATVHWBZOZBQP-ZDUSSCGKSA-N 0 0 341.371 2.652 10 5 EFBERN CC(=O)Nc1cccc(CC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001596983618 1094556735 /nfs/dbraw/zinc/55/67/35/1094556735.db2.gz OUZUPOMERAYIOW-LBPRGKRZSA-N 0 0 341.367 2.973 10 5 EFBERN C[C@H](O)C[C@H]1CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001597043359 1094562036 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EFBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC)cn1 ZINC001597448372 1094587309 /nfs/dbraw/zinc/58/73/09/1094587309.db2.gz VELVVNLRPKHLER-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN C[C@@H](C(=O)NCC(=O)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001597449347 1094587745 /nfs/dbraw/zinc/58/77/45/1094587745.db2.gz BGYWDOUEMIRARR-SNVBAGLBSA-N 0 0 348.305 2.976 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843682782 1094591543 /nfs/dbraw/zinc/59/15/43/1094591543.db2.gz OFCULCREEWWDBA-NSHDSACASA-N 0 0 342.779 2.956 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](c2ncccn2)C1 ZINC001597501488 1094592784 /nfs/dbraw/zinc/59/27/84/1094592784.db2.gz FUQLUPNBYAWVDX-LLVKDONJSA-N 0 0 338.323 2.761 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](c2ncccn2)C1 ZINC001597510403 1094593978 /nfs/dbraw/zinc/59/39/78/1094593978.db2.gz NWLRYUPDQDFUOT-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN Cc1ccc(C(=O)NCc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001597559784 1094601022 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332.356 2.500 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC001597621718 1094607636 /nfs/dbraw/zinc/60/76/36/1094607636.db2.gz GAJVIGBRFVRYFH-UHFFFAOYSA-N 0 0 329.234 2.926 10 5 EFBERN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001597655118 1094610541 /nfs/dbraw/zinc/61/05/41/1094610541.db2.gz AVYNGTAQVABLFV-BMIGLBTASA-N 0 0 326.356 2.625 10 5 EFBERN CC(F)(F)c1cc(F)ccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001597665341 1094612050 /nfs/dbraw/zinc/61/20/50/1094612050.db2.gz GIUWCMCYZALYQD-UHFFFAOYSA-N 0 0 328.250 2.681 10 5 EFBERN C[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccc([N+](=O)[O-])cc1 ZINC001597727084 1094617719 /nfs/dbraw/zinc/61/77/19/1094617719.db2.gz PXDGUAVGJKVZRQ-NSHDSACASA-N 0 0 339.351 2.509 10 5 EFBERN COc1ccc(C(=O)Nc2cccc(OC)c2OC)cc1[N+](=O)[O-] ZINC001597736504 1094618916 /nfs/dbraw/zinc/61/89/16/1094618916.db2.gz IOFPVVMSURWUFD-UHFFFAOYSA-N 0 0 332.312 2.873 10 5 EFBERN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001597852992 1094631699 /nfs/dbraw/zinc/63/16/99/1094631699.db2.gz KYRSHCSHMNYFHW-CQSZACIVSA-N 0 0 349.343 2.582 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CC[C@@H]1CC1(Cl)Cl ZINC001597920533 1094639631 /nfs/dbraw/zinc/63/96/31/1094639631.db2.gz YFFPVZJDAPWSMX-SSDOTTSWSA-N 0 0 334.159 2.911 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccccc1OC1CC1 ZINC001597920091 1094640031 /nfs/dbraw/zinc/64/00/31/1094640031.db2.gz RPAKMLHJIMZCNL-UHFFFAOYSA-N 0 0 329.312 2.792 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cccc2cc(=O)[nH]cc21 ZINC001597920089 1094640487 /nfs/dbraw/zinc/64/04/87/1094640487.db2.gz ROJVKKNZLYCGOS-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC001125783205 1094649901 /nfs/dbraw/zinc/64/99/01/1094649901.db2.gz AONLKCXDNDOKOB-UHFFFAOYSA-N 0 0 345.286 2.740 10 5 EFBERN O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001598065515 1094652583 /nfs/dbraw/zinc/65/25/83/1094652583.db2.gz VRIBKKSDAUKANV-QGZVFWFLSA-N 0 0 336.351 2.963 10 5 EFBERN Cn1cc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC001598102531 1094657013 /nfs/dbraw/zinc/65/70/13/1094657013.db2.gz UFAKYVUTYSUXJH-UHFFFAOYSA-N 0 0 346.677 2.835 10 5 EFBERN C[C@H](CNC(=O)COc1ccc(C=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001598178784 1094661630 /nfs/dbraw/zinc/66/16/30/1094661630.db2.gz QAXPHXPXJIEUDB-CYBMUJFWSA-N 0 0 342.351 2.706 10 5 EFBERN CNc1nc(C)ccc1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001598186726 1094662551 /nfs/dbraw/zinc/66/25/51/1094662551.db2.gz UTEVKALTFVJDBU-LLVKDONJSA-N 0 0 328.372 2.873 10 5 EFBERN O=C(NCC(C1CCC1)C1CCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001167787733 1094669954 /nfs/dbraw/zinc/66/99/54/1094669954.db2.gz QSHXIUMWYRVSSB-UHFFFAOYSA-N 0 0 326.784 2.918 10 5 EFBERN Cc1occc1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001598367775 1094674120 /nfs/dbraw/zinc/67/41/20/1094674120.db2.gz FMLJCLRSBFKKCY-UHFFFAOYSA-N 0 0 326.312 2.816 10 5 EFBERN C[C@]1(c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)COC(=O)N1 ZINC001598412124 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2.930 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(Cl)nnc3C2)c1 ZINC000843624940 1095212191 /nfs/dbraw/zinc/21/21/91/1095212191.db2.gz YWPGGFSCBFCUQA-UHFFFAOYSA-N 0 0 332.747 2.545 10 5 EFBERN COC(=O)c1cc(NC(=O)Cc2sc(C)nc2C)cc([N+](=O)[O-])c1 ZINC001126300338 1095267257 /nfs/dbraw/zinc/26/72/57/1095267257.db2.gz NLSSOGPEGJRYJA-UHFFFAOYSA-N 0 0 349.368 2.636 10 5 EFBERN C[C@H](CCC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001126315380 1095413041 /nfs/dbraw/zinc/41/30/41/1095413041.db2.gz YZYHEPJNDXJPCF-LLVKDONJSA-N 0 0 346.391 2.515 10 5 EFBERN Cc1cccc(C(=O)N2CCc3cc(Cl)nnc3C2)c1[N+](=O)[O-] ZINC000843626304 1095462186 /nfs/dbraw/zinc/46/21/86/1095462186.db2.gz LLVJGWWIYWOWGI-UHFFFAOYSA-N 0 0 332.747 2.545 10 5 EFBERN C/C(=C/C(=O)NCCCn1ccnc1C)c1ccc([N+](=O)[O-])cc1 ZINC000785376306 1095555634 /nfs/dbraw/zinc/55/56/34/1095555634.db2.gz PYXNHFRLEBEEMY-SEYXRHQNSA-N 0 0 328.372 2.710 10 5 EFBERN C/C(=C/C(=O)N1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000843630399 1096032779 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/nfs/dbraw/zinc/21/81/57/1100218157.db2.gz FNXLPCPSJYJADX-MRVPVSSYSA-N 0 0 347.774 2.905 10 5 EFBERN CSCC[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001629545454 1100222938 /nfs/dbraw/zinc/22/29/38/1100222938.db2.gz FLZLAYDCLBSMGO-NSHDSACASA-N 0 0 349.412 2.780 10 5 EFBERN COc1ccc(C[C@H]2CCN2C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001629628566 1100230097 /nfs/dbraw/zinc/23/00/97/1100230097.db2.gz HSKZBEJAQKLOTJ-MRXNPFEDSA-N 0 0 340.379 2.990 10 5 EFBERN COC(=O)c1occc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001629642153 1100232270 /nfs/dbraw/zinc/23/22/70/1100232270.db2.gz CKOZCTURODTHPI-UHFFFAOYSA-N 0 0 338.703 2.558 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC001629711876 1100239617 /nfs/dbraw/zinc/23/96/17/1100239617.db2.gz KPJJZKPKXNANBV-MRXNPFEDSA-N 0 0 326.356 2.843 10 5 EFBERN Cc1nc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)oc1C ZINC001629747789 1100242975 /nfs/dbraw/zinc/24/29/75/1100242975.db2.gz JXVDAXRZVNOTML-UHFFFAOYSA-N 0 0 327.300 2.842 10 5 EFBERN O=C(NOCC(F)(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC001629819043 1100248387 /nfs/dbraw/zinc/24/83/87/1100248387.db2.gz IMDVSUBCEAXCPF-UHFFFAOYSA-N 0 0 343.055 2.581 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC2(C1)CCCCCC2 ZINC001629824176 1100250285 /nfs/dbraw/zinc/25/02/85/1100250285.db2.gz KULVJFGOQZVEPY-UHFFFAOYSA-N 0 0 333.388 2.742 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCc2c1cccc2Br ZINC000713328306 1100256601 /nfs/dbraw/zinc/25/66/01/1100256601.db2.gz OEYIBIBORZNLPI-UHFFFAOYSA-N 0 0 336.145 2.888 10 5 EFBERN Cc1cc(C(=O)NC[C@@H](CO)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001629941743 1100261300 /nfs/dbraw/zinc/26/13/00/1100261300.db2.gz BCYDZLUCIGXQJP-AWEZNQCLSA-N 0 0 332.331 2.548 10 5 EFBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Oc1ccc(F)cc1 ZINC001630027222 1100269589 /nfs/dbraw/zinc/26/95/89/1100269589.db2.gz RAJDLLMKBAJDJA-JTQLQIEISA-N 0 0 333.319 2.513 10 5 EFBERN CC(C)(C)Oc1ccccc1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001630107155 1100276748 /nfs/dbraw/zinc/27/67/48/1100276748.db2.gz ROLYSEDXPLRCLF-UHFFFAOYSA-N 0 0 344.371 2.679 10 5 EFBERN CCOC(=O)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001630300391 1100291467 /nfs/dbraw/zinc/29/14/67/1100291467.db2.gz CKPIURWOJASDPR-INIZCTEOSA-N 0 0 342.351 2.558 10 5 EFBERN CCCCCOC1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001630475947 1100308322 /nfs/dbraw/zinc/30/83/22/1100308322.db2.gz SDKBHZATEZZLOI-UHFFFAOYSA-N 0 0 336.388 2.700 10 5 EFBERN CC(C)CCn1c(NC(=O)c2c[nH]nc2[N+](=O)[O-])nc2ccccc21 ZINC001630483205 1100310690 /nfs/dbraw/zinc/31/06/90/1100310690.db2.gz PCFYNVLXVOSFDQ-UHFFFAOYSA-N 0 0 342.359 2.966 10 5 EFBERN O=C(NCCCc1c[nH][nH]c1=O)c1cc2ccccc2c2cccnc12 ZINC001630632492 1100324126 /nfs/dbraw/zinc/32/41/26/1100324126.db2.gz URCZJYVTPVYMMO-AWEZNQCLSA-N 0 0 346.390 2.630 10 5 EFBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1noc(C(F)(F)F)n1 ZINC001630688938 1100329291 /nfs/dbraw/zinc/32/92/91/1100329291.db2.gz GXMNUQYANZLFOY-RXMQYKEDSA-N 0 0 348.212 2.627 10 5 EFBERN C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001630713320 1100332207 /nfs/dbraw/zinc/33/22/07/1100332207.db2.gz GOSDPWCYGDBWLY-MEDUHNTESA-N 0 0 332.331 2.515 10 5 EFBERN C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1nccn1C ZINC001630743450 1100334476 /nfs/dbraw/zinc/33/44/76/1100334476.db2.gz QAUBSKBRWWOPQB-JTQLQIEISA-N 0 0 339.355 2.555 10 5 EFBERN CC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1noc(C)n1 ZINC001630739087 1100335148 /nfs/dbraw/zinc/33/51/48/1100335148.db2.gz COHVVNHYVFYQDN-LBPRGKRZSA-N 0 0 329.316 2.649 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)NOCc2cccc(C)n2)c1 ZINC001630758116 1100335833 /nfs/dbraw/zinc/33/58/33/1100335833.db2.gz QAXILLJGYTXOKX-UHFFFAOYSA-N 0 0 333.369 2.882 10 5 EFBERN CCO[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCC1 ZINC001630762732 1100337552 /nfs/dbraw/zinc/33/75/52/1100337552.db2.gz CNGZUGFBSPVSQY-MRXNPFEDSA-N 0 0 335.404 2.892 10 5 EFBERN CC(C)n1ncnc1COC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001270983853 1100338109 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EFBERN COc1ccc(NC(=O)c2nc3cnccc3s2)cc1[N+](=O)[O-] ZINC001631347022 1100390846 /nfs/dbraw/zinc/39/08/46/1100390846.db2.gz FOLIHCQTRXEBMT-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN Cc1c(Br)cccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001631349071 1100390944 /nfs/dbraw/zinc/39/09/44/1100390944.db2.gz KOLUBDYRSOAACF-UHFFFAOYSA-N 0 0 338.161 2.924 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCC[C@H]1CO ZINC001631407368 1100395459 /nfs/dbraw/zinc/39/54/59/1100395459.db2.gz LYFRBSYGVNMAPU-LBPRGKRZSA-N 0 0 326.780 2.554 10 5 EFBERN CO/C(=C/c1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001631424006 1100398337 /nfs/dbraw/zinc/39/83/37/1100398337.db2.gz LQSMWPAWQHRJSP-LICLKQGHSA-N 0 0 342.351 2.907 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Oc1ccc2c(c1)C(=O)NC2 ZINC001271032183 1100399658 /nfs/dbraw/zinc/39/96/58/1100399658.db2.gz FAVCDYKVMIEZJZ-UHFFFAOYSA-N 0 0 326.308 2.674 10 5 EFBERN C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001631500581 1100405028 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O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001631763231 1100426575 /nfs/dbraw/zinc/42/65/75/1100426575.db2.gz FDIXSBZAEVGZRJ-JTQLQIEISA-N 0 0 348.305 2.684 10 5 EFBERN CN(C)c1cc(F)c(C(=O)N(C)C[Si](C)(C)C)cc1[N+](=O)[O-] ZINC001631768109 1100426638 /nfs/dbraw/zinc/42/66/38/1100426638.db2.gz PCVGYIWUNZWIIK-UHFFFAOYSA-N 0 0 327.432 2.749 10 5 EFBERN O=C(Nc1cnccc1CO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001631800175 1100429880 /nfs/dbraw/zinc/42/98/80/1100429880.db2.gz UIHSBRYXXGWLSX-UHFFFAOYSA-N 0 0 325.683 2.527 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC001631832587 1100431566 /nfs/dbraw/zinc/43/15/66/1100431566.db2.gz XJAKQBRALMPFCN-HNNXBMFYSA-N 0 0 345.330 2.960 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001631988779 1100445616 /nfs/dbraw/zinc/44/56/16/1100445616.db2.gz GNPLJCRMTZNSDN-APPDUMDISA-N 0 0 332.331 2.515 10 5 EFBERN CCS[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149321715 1100446749 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CCC(CC)[C@@H](CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)OC ZINC001632279989 1100463888 /nfs/dbraw/zinc/46/38/88/1100463888.db2.gz REOPSZAMEZOASG-SECBINFHSA-N 0 0 332.788 2.542 10 5 EFBERN Cc1ccc(CNC(=O)c2csc(NC3CC3)n2)cc1[N+](=O)[O-] ZINC001632369521 1100469645 /nfs/dbraw/zinc/46/96/45/1100469645.db2.gz HBAIBNZNVZFKNO-UHFFFAOYSA-N 0 0 332.385 2.864 10 5 EFBERN Cc1cc(C)c2c(c1)N(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC001632380329 1100470445 /nfs/dbraw/zinc/47/04/45/1100470445.db2.gz CSHZOFDJNPNHDH-UHFFFAOYSA-N 0 0 327.340 2.905 10 5 EFBERN O=C(NOc1ccc(F)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001632408846 1100472471 /nfs/dbraw/zinc/47/24/71/1100472471.db2.gz RLPLPKIFATUUQJ-UHFFFAOYSA-N 0 0 342.286 2.643 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3ccnc3)c(C)c2)n1 ZINC001632572643 1100485054 /nfs/dbraw/zinc/48/50/54/1100485054.db2.gz GUPUCPYXQUEQTD-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN C/C=C\C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC ZINC001632616234 1100489297 /nfs/dbraw/zinc/48/92/97/1100489297.db2.gz VNEXGPUIILLXLU-USEMIUTHSA-N 0 0 340.763 2.876 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nnc(-c3ccco3)o1)CC2 ZINC001632739529 1100497598 /nfs/dbraw/zinc/49/75/98/1100497598.db2.gz IDBDUFSUBHYJSS-UHFFFAOYSA-N 0 0 340.295 2.749 10 5 EFBERN C[C@]1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC001632738306 1100497629 /nfs/dbraw/zinc/49/76/29/1100497629.db2.gz VQZLEXODRWNPQE-HIFRSBDPSA-N 0 0 339.779 2.518 10 5 EFBERN C[C@H]1COc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001632742486 1100498678 /nfs/dbraw/zinc/49/86/78/1100498678.db2.gz XZJFEIPFCLFAGM-NSHDSACASA-N 0 0 327.340 2.600 10 5 EFBERN O=C(NCC1(CO)CCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001632769165 1100500221 /nfs/dbraw/zinc/50/02/21/1100500221.db2.gz NKBIRQVMNUAMKT-UHFFFAOYSA-N 0 0 341.367 2.549 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC(=O)c2ccccc21 ZINC001632872415 1100505740 /nfs/dbraw/zinc/50/57/40/1100505740.db2.gz HBFWYXJGVQGOEA-AWEZNQCLSA-N 0 0 328.299 2.720 10 5 EFBERN O=C(NCc1cccc(C(F)F)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001632983663 1100512447 /nfs/dbraw/zinc/51/24/47/1100512447.db2.gz BVDMVTXBAUCKAW-CQSZACIVSA-N 0 0 336.294 2.882 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001632981626 1100512531 /nfs/dbraw/zinc/51/25/31/1100512531.db2.gz NZMBBHWAPBMWEG-UHFFFAOYSA-N 0 0 346.314 2.664 10 5 EFBERN C[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)Cc2cncnc21 ZINC001633007393 1100514622 /nfs/dbraw/zinc/51/46/22/1100514622.db2.gz HGPPOVKKTQZPSJ-JTQLQIEISA-N 0 0 348.309 2.623 10 5 EFBERN C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)Cc2cncnc21 ZINC001633007394 1100515001 /nfs/dbraw/zinc/51/50/01/1100515001.db2.gz HGPPOVKKTQZPSJ-SNVBAGLBSA-N 0 0 348.309 2.623 10 5 EFBERN CCC1(CC)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC001633021048 1100515621 /nfs/dbraw/zinc/51/56/21/1100515621.db2.gz PNBAMURKDKPNPI-JLZZUVOBSA-N 0 0 349.431 2.963 10 5 EFBERN CCC1(CC)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC001633021047 1100515936 /nfs/dbraw/zinc/51/59/36/1100515936.db2.gz PNBAMURKDKPNPI-JCURWCKSSA-N 0 0 349.431 2.963 10 5 EFBERN CNc1ccc(C(=O)NCc2nc3c(cccc3F)[nH]2)cc1[N+](=O)[O-] ZINC001633076737 1100521365 /nfs/dbraw/zinc/52/13/65/1100521365.db2.gz MRXAYBIYPMIMLB-UHFFFAOYSA-N 0 0 343.318 2.582 10 5 EFBERN COC(=O)c1occc1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001633166487 1100526051 /nfs/dbraw/zinc/52/60/51/1100526051.db2.gz RWKASZUTHCMDSH-UHFFFAOYSA-N 0 0 332.312 2.521 10 5 EFBERN COc1ccc(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001633180907 1100527819 /nfs/dbraw/zinc/52/78/19/1100527819.db2.gz TXXCGCWVBQVIQS-UHFFFAOYSA-N 0 0 343.383 2.937 10 5 EFBERN COC(=O)[C@@H](C)Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000047839055 1100535685 /nfs/dbraw/zinc/53/56/85/1100535685.db2.gz KZZMUJWRKRAOIR-RXMQYKEDSA-N 0 0 338.541 2.951 10 5 EFBERN CC(C)[C@@H](O)C(C)(C)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001633339642 1100536596 /nfs/dbraw/zinc/53/65/96/1100536596.db2.gz PNXGOLCGINJPSF-OAHLLOKOSA-N 0 0 342.823 2.950 10 5 EFBERN CCc1[nH]n(C)c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)c1-2 ZINC001633369906 1100538922 /nfs/dbraw/zinc/53/89/22/1100538922.db2.gz SEVHPPFBJVAQBM-UHFFFAOYSA-N 0 0 348.750 2.673 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@]12CCO[C@@H]1CCCC2 ZINC001633374818 1100539170 /nfs/dbraw/zinc/53/91/70/1100539170.db2.gz HUJBYUVNAQYETC-CJNGLKHVSA-N 0 0 330.344 2.759 10 5 EFBERN COc1ccc(C2CC2)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001633412889 1100540650 /nfs/dbraw/zinc/54/06/50/1100540650.db2.gz UMOZWRDFTLNCTN-UHFFFAOYSA-N 0 0 341.367 2.993 10 5 EFBERN COc1cccnc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001633462267 1100543298 /nfs/dbraw/zinc/54/32/98/1100543298.db2.gz FNBLADXMFLSLIX-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(O)cc2O)c1 ZINC001633467359 1100543551 /nfs/dbraw/zinc/54/35/51/1100543551.db2.gz RQOBRXPXPYNEJT-UHFFFAOYSA-N 0 0 332.312 2.722 10 5 EFBERN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001633483682 1100544189 /nfs/dbraw/zinc/54/41/89/1100544189.db2.gz GJPSKQIQNGXXRM-QGZVFWFLSA-N 0 0 349.387 2.513 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1ccc(F)cc1F ZINC001633477515 1100544413 /nfs/dbraw/zinc/54/44/13/1100544413.db2.gz JSPSHTRRFQMUOI-UHFFFAOYSA-N 0 0 338.285 2.914 10 5 EFBERN CC(C)(NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001633568296 1100550853 /nfs/dbraw/zinc/55/08/53/1100550853.db2.gz NIJGCTUNPHTWGM-HNNXBMFYSA-N 0 0 332.331 2.819 10 5 EFBERN Nc1c(C(=O)N[C@H]2CCC[C@@H]2CCO)cc2ccccc2c1[N+](=O)[O-] ZINC001633581156 1100551550 /nfs/dbraw/zinc/55/15/50/1100551550.db2.gz JRZDTOHHOLMWOM-ABAIWWIYSA-N 0 0 343.383 2.611 10 5 EFBERN CNc1c(C(=O)Nc2ccc3c(c2)OCCN3C)cccc1[N+](=O)[O-] ZINC001633661085 1100557430 /nfs/dbraw/zinc/55/74/30/1100557430.db2.gz MSNGZZPHPJUDDA-UHFFFAOYSA-N 0 0 342.355 2.717 10 5 EFBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1Cc2cccnc2C1 ZINC001633699841 1100560427 /nfs/dbraw/zinc/56/04/27/1100560427.db2.gz GLAGLAGPVWSHIC-UHFFFAOYSA-N 0 0 335.323 2.536 10 5 EFBERN C/C=C/C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)OCC ZINC001633749659 1100563237 /nfs/dbraw/zinc/56/32/37/1100563237.db2.gz QHPULLDDZQVHAG-LQPUYASZSA-N 0 0 340.763 2.876 10 5 EFBERN C/C=C\C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)OCC ZINC001633749657 1100563261 /nfs/dbraw/zinc/56/32/61/1100563261.db2.gz QHPULLDDZQVHAG-DXTPNHAXSA-N 0 0 340.763 2.876 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)c1 ZINC001633786816 1100565370 /nfs/dbraw/zinc/56/53/70/1100565370.db2.gz HYOXGVDPDKDVJN-CQSZACIVSA-N 0 0 348.786 2.890 10 5 EFBERN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c2ccccc2n1 ZINC001633869200 1100570837 /nfs/dbraw/zinc/57/08/37/1100570837.db2.gz FDWFHBAPBHPXQQ-UHFFFAOYSA-N 0 0 336.351 2.962 10 5 EFBERN CC[C@@H]1COCCN1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001633942828 1100577041 /nfs/dbraw/zinc/57/70/41/1100577041.db2.gz KHSLCBBXSCWNBO-OAHLLOKOSA-N 0 0 349.431 2.559 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001633983090 1100577736 /nfs/dbraw/zinc/57/77/36/1100577736.db2.gz HVYRDNHIJVIYII-SNVBAGLBSA-N 0 0 346.774 2.855 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cc2ccccc2o1 ZINC001634018184 1100579767 /nfs/dbraw/zinc/57/97/67/1100579767.db2.gz PHFJQPRAIDPBSQ-UHFFFAOYSA-N 0 0 325.324 2.896 10 5 EFBERN COC(=O)c1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC001634051722 1100582024 /nfs/dbraw/zinc/58/20/24/1100582024.db2.gz AZAWIXSHMFKSDG-JTQLQIEISA-N 0 0 344.323 2.829 10 5 EFBERN Cc1c(CNC(=O)c2cccc3nsnc32)cccc1[N+](=O)[O-] ZINC001634104447 1100584685 /nfs/dbraw/zinc/58/46/85/1100584685.db2.gz VDWWSSUNXVMPGX-UHFFFAOYSA-N 0 0 328.353 2.838 10 5 EFBERN CN(Cc1ccon1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001634108555 1100584887 /nfs/dbraw/zinc/58/48/87/1100584887.db2.gz XROUMSXTGPIEKP-UHFFFAOYSA-N 0 0 338.323 2.917 10 5 EFBERN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001634129843 1100586519 /nfs/dbraw/zinc/58/65/19/1100586519.db2.gz PUIMQRLUXGOMAU-NSHDSACASA-N 0 0 331.294 2.980 10 5 EFBERN C/C(=C/c1ccccn1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001634129402 1100586719 /nfs/dbraw/zinc/58/67/19/1100586719.db2.gz HCZDQFSNMJQGSH-RAXLEYEMSA-N 0 0 339.351 2.683 10 5 EFBERN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001634151645 1100588162 /nfs/dbraw/zinc/58/81/62/1100588162.db2.gz PUPMTFUMGGTTEE-OAHLLOKOSA-N 0 0 343.387 2.882 10 5 EFBERN COc1ccccc1CONC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001634211839 1100591296 /nfs/dbraw/zinc/59/12/96/1100591296.db2.gz WJCPVVWJNNYFRI-UHFFFAOYSA-N 0 0 334.303 2.533 10 5 EFBERN O=C(NCc1cc(C2CC2)no1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001634206107 1100591527 /nfs/dbraw/zinc/59/15/27/1100591527.db2.gz GMMPGHJYDKMKMS-UHFFFAOYSA-N 0 0 326.312 2.872 10 5 EFBERN Cc1ccc(SC[C@@H](C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001634328479 1100600711 /nfs/dbraw/zinc/60/07/11/1100600711.db2.gz AXKOYDIEORASIX-LLVKDONJSA-N 0 0 346.412 2.791 10 5 EFBERN CO[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3N)cccc21 ZINC001634471385 1100609948 /nfs/dbraw/zinc/60/99/48/1100609948.db2.gz GGYUQBBFIQKNOW-OAHLLOKOSA-N 0 0 343.339 2.899 10 5 EFBERN Cc1cc(F)cc(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)c1[N+](=O)[O-] ZINC001634472198 1100609980 /nfs/dbraw/zinc/60/99/80/1100609980.db2.gz KMWGLRRXPIRYMQ-VIFPVBQESA-N 0 0 332.335 2.600 10 5 EFBERN CC1(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC=CC1 ZINC001634480811 1100610532 /nfs/dbraw/zinc/61/05/32/1100610532.db2.gz CXHZPIURYVSQTK-UHFFFAOYSA-N 0 0 328.372 2.876 10 5 EFBERN CCC(C)(C)C(=O)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634483079 1100610606 /nfs/dbraw/zinc/61/06/06/1100610606.db2.gz WPTCVCXIIHPLJA-UHFFFAOYSA-N 0 0 346.387 2.525 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccsc1 ZINC001634478422 1100610746 /nfs/dbraw/zinc/61/07/46/1100610746.db2.gz XNNPPKKOGQKPCI-UHFFFAOYSA-N 0 0 330.369 2.895 10 5 EFBERN CC(C)c1c(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cnn1-c1ccccc1 ZINC001634599771 1100617952 /nfs/dbraw/zinc/61/79/52/1100617952.db2.gz QVMIWAGVELPOAT-UHFFFAOYSA-N 0 0 340.343 2.879 10 5 EFBERN C[C@@H](Cc1ccncc1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634634660 1100620355 /nfs/dbraw/zinc/62/03/55/1100620355.db2.gz OVFOQQIMBUZMEV-NSHDSACASA-N 0 0 333.775 2.933 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001634633831 1100620764 /nfs/dbraw/zinc/62/07/64/1100620764.db2.gz DEUSZTYGMQZUIY-ABAIWWIYSA-N 0 0 344.371 2.969 10 5 EFBERN C[C@H]1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001634644674 1100621721 /nfs/dbraw/zinc/62/17/21/1100621721.db2.gz HOGSPFVHUHLUEK-QWHCGFSZSA-N 0 0 333.388 2.804 10 5 EFBERN CC(C)COC1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC001634656891 1100622580 /nfs/dbraw/zinc/62/25/80/1100622580.db2.gz FZEFUHRXHZSQNU-UHFFFAOYSA-N 0 0 336.388 2.879 10 5 EFBERN O=C(NCCC1CC=CC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634763738 1100628904 /nfs/dbraw/zinc/62/89/04/1100628904.db2.gz KSWUIJRVHREGJQ-UHFFFAOYSA-N 0 0 329.360 2.627 10 5 EFBERN Cc1ccn2ncc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2c1 ZINC001634861087 1100632670 /nfs/dbraw/zinc/63/26/70/1100632670.db2.gz KAIXGMKACSPLFW-UHFFFAOYSA-N 0 0 338.367 2.866 10 5 EFBERN CNc1c(C(=O)N2CC(Nc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001635012954 1100640565 /nfs/dbraw/zinc/64/05/65/1100640565.db2.gz SDHCCDIOLVZZOH-UHFFFAOYSA-N 0 0 344.346 2.712 10 5 EFBERN C[C@H]1Cc2cnccc2N1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001635022166 1100640606 /nfs/dbraw/zinc/64/06/06/1100640606.db2.gz QCLNLAPJNIYUKP-LBPRGKRZSA-N 0 0 349.350 2.767 10 5 EFBERN CC(C)(C)CC[C@@H](CO)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001635088445 1100643725 /nfs/dbraw/zinc/64/37/25/1100643725.db2.gz DTZSCVZNULSAIM-LBPRGKRZSA-N 0 0 344.358 2.990 10 5 EFBERN O=C(Nc1cccc(NCC(F)(F)F)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001635163887 1100645997 /nfs/dbraw/zinc/64/59/97/1100645997.db2.gz GBLXPDAYONZQBP-UHFFFAOYSA-N 0 0 329.238 2.544 10 5 EFBERN CCCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(=O)OC ZINC001635321834 1100654494 /nfs/dbraw/zinc/65/44/94/1100654494.db2.gz OXRIUNYCXJZJID-CYBMUJFWSA-N 0 0 340.351 2.894 10 5 EFBERN COc1ncc(C)cc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001635331001 1100655017 /nfs/dbraw/zinc/65/50/17/1100655017.db2.gz GFTOMRPLLHKBAO-UHFFFAOYSA-N 0 0 336.735 2.795 10 5 EFBERN COc1ccc(C[C@H]2CCN2C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001635348418 1100656086 /nfs/dbraw/zinc/65/60/86/1100656086.db2.gz DQJDLLYCTZRVRO-CYBMUJFWSA-N 0 0 341.367 2.643 10 5 EFBERN COc1ccc(C(=O)CNC(=O)[C@@H](F)c2ccccc2)cc1[N+](=O)[O-] ZINC001635396233 1100660075 /nfs/dbraw/zinc/66/00/75/1100660075.db2.gz PEXRBLHWTNUGBF-INIZCTEOSA-N 0 0 346.314 2.613 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC(c2ccccc2)C1 ZINC001635445455 1100662489 /nfs/dbraw/zinc/66/24/89/1100662489.db2.gz GWEXYVRXSUSFGF-UHFFFAOYSA-N 0 0 336.351 2.571 10 5 EFBERN O=C(NCc1ccc(O)c2ncccc12)c1cc([N+](=O)[O-])ccc1F ZINC001635457965 1100663001 /nfs/dbraw/zinc/66/30/01/1100663001.db2.gz PRKPJBIFUOZYIA-UHFFFAOYSA-N 0 0 341.298 2.918 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)n1 ZINC001635482720 1100663925 /nfs/dbraw/zinc/66/39/25/1100663925.db2.gz NUXJJOWSDALRPW-HWHUXHBOSA-N 0 0 347.415 2.700 10 5 EFBERN CCC[C@@H](CC)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001635513175 1100665357 /nfs/dbraw/zinc/66/53/57/1100665357.db2.gz AWQZUBLIZGWOHS-GFCCVEGCSA-N 0 0 345.403 2.892 10 5 EFBERN CC1(C)CCC[C@](O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC001635546661 1100667083 /nfs/dbraw/zinc/66/70/83/1100667083.db2.gz DZSVQYQHNOGHNN-QGZVFWFLSA-N 0 0 335.404 2.628 10 5 EFBERN CC(=O)[C@H]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001635759461 1100678417 /nfs/dbraw/zinc/67/84/17/1100678417.db2.gz YWOBMDOJIYYSNL-HAQNSBGRSA-N 0 0 329.356 2.954 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H](O)c1ccco1 ZINC001635800758 1100680867 /nfs/dbraw/zinc/68/08/67/1100680867.db2.gz SIAFXILSWMJKRP-ZDUSSCGKSA-N 0 0 338.747 2.624 10 5 EFBERN Cn1cc(C(F)F)c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001635906076 1100686733 /nfs/dbraw/zinc/68/67/33/1100686733.db2.gz WNGSBVFTNBEUBD-UHFFFAOYSA-N 0 0 344.705 2.849 10 5 EFBERN Cc1ccc(CNC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001635927176 1100687976 /nfs/dbraw/zinc/68/79/76/1100687976.db2.gz UQOAIEHGWNLZCG-MEDUHNTESA-N 0 0 328.372 2.609 10 5 EFBERN Cc1ccc(CNC(=O)c2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC001635927543 1100688084 /nfs/dbraw/zinc/68/80/84/1100688084.db2.gz WXPXGNHOORCJIU-DEOSSOPVSA-N 0 0 346.408 2.712 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2n[nH]cc2c1 ZINC001635989980 1100690992 /nfs/dbraw/zinc/69/09/92/1100690992.db2.gz AHTMGPBJDNHNQU-UHFFFAOYSA-N 0 0 340.343 2.939 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2cccnn21 ZINC001635990011 1100691241 /nfs/dbraw/zinc/69/12/41/1100691241.db2.gz BEFZLCIDSNXYPH-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN CC[C@H](C[C@@H](C)O)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001636056676 1100697488 /nfs/dbraw/zinc/69/74/88/1100697488.db2.gz YGHBAXGCXFMEBO-TZMCWYRMSA-N 0 0 343.383 2.936 10 5 EFBERN O=C(NC[C@H](CCO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC001636138112 1100702597 /nfs/dbraw/zinc/70/25/97/1100702597.db2.gz LBQQKOIUFWFPNO-ZDUSSCGKSA-N 0 0 332.331 2.630 10 5 EFBERN CCc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001636237008 1100708284 /nfs/dbraw/zinc/70/82/84/1100708284.db2.gz BYEZXEGBDRVBQB-INIZCTEOSA-N 0 0 332.331 2.760 10 5 EFBERN Cc1cc(C)c(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(=O)[nH]1 ZINC001636247395 1100708654 /nfs/dbraw/zinc/70/86/54/1100708654.db2.gz SWIDYBSNZPUXBT-UHFFFAOYSA-N 0 0 349.774 2.825 10 5 EFBERN Cc1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N)ccc2[nH]c1=O ZINC001636244571 1100708884 /nfs/dbraw/zinc/70/88/84/1100708884.db2.gz SLCCQKSWUPQQSN-UHFFFAOYSA-N 0 0 338.323 2.579 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1nncn1C1CC1 ZINC001636396156 1100716750 /nfs/dbraw/zinc/71/67/50/1100716750.db2.gz XWOHMGFQRNJLRP-UHFFFAOYSA-N 0 0 335.751 2.746 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C)c2ncccc2C1 ZINC001636406627 1100717147 /nfs/dbraw/zinc/71/71/47/1100717147.db2.gz WYPUKFKZRMVLAN-UHFFFAOYSA-N 0 0 344.346 2.530 10 5 EFBERN CN(Cc1cscn1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050706481 1100717938 /nfs/dbraw/zinc/71/79/38/1100717938.db2.gz UZTRVLYIWJRQKU-UHFFFAOYSA-N 0 0 326.765 2.559 10 5 EFBERN Cc1cc(C(=O)NCc2noc3cc(F)ccc23)c(N)c([N+](=O)[O-])c1 ZINC001636433494 1100718603 /nfs/dbraw/zinc/71/86/03/1100718603.db2.gz YUVLWPGHHITZCH-UHFFFAOYSA-N 0 0 344.302 2.696 10 5 EFBERN C[C@]1(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCCCO1 ZINC001636432715 1100718794 /nfs/dbraw/zinc/71/87/94/1100718794.db2.gz MMOMQMGFSDIKHW-QGZVFWFLSA-N 0 0 344.371 2.674 10 5 EFBERN CC[C@@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001636486854 1100721612 /nfs/dbraw/zinc/72/16/12/1100721612.db2.gz ZVYFQHBUTCVDGH-CQSZACIVSA-N 0 0 342.351 2.995 10 5 EFBERN C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])Cc2cncnc21 ZINC001636522463 1100724217 /nfs/dbraw/zinc/72/42/17/1100724217.db2.gz OSMANNJIMPRPQE-VIFPVBQESA-N 0 0 332.747 2.798 10 5 EFBERN C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])Cc2cncnc21 ZINC001636526760 1100724799 /nfs/dbraw/zinc/72/47/99/1100724799.db2.gz MOMAMTQWAZDKAU-NSHDSACASA-N 0 0 344.346 2.602 10 5 EFBERN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)Cc2cncnc21 ZINC001636526838 1100724893 /nfs/dbraw/zinc/72/48/93/1100724893.db2.gz PGVGQLJOWQBRSV-RLCCDNCMSA-N 0 0 338.367 2.634 10 5 EFBERN Cc1ccc(C2(CNC(=O)c3cnc(N)c([N+](=O)[O-])c3)CC2)c(C)c1 ZINC001636597805 1100728841 /nfs/dbraw/zinc/72/88/41/1100728841.db2.gz UVPFKAZNTUUJMD-UHFFFAOYSA-N 0 0 340.383 2.650 10 5 EFBERN COc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC001636670965 1100732784 /nfs/dbraw/zinc/73/27/84/1100732784.db2.gz MLVMJXBVYBRKQG-GXTWGEPZSA-N 0 0 345.330 2.611 10 5 EFBERN CC[C@@H]1CCCc2sc(NC(=O)c3c([N+](=O)[O-])cnn3C)nc21 ZINC001636691464 1100733342 /nfs/dbraw/zinc/73/33/42/1100733342.db2.gz DEPPPCWSTHIBBT-MRVPVSSYSA-N 0 0 335.389 2.867 10 5 EFBERN COc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)CCC2 ZINC001636712593 1100733995 /nfs/dbraw/zinc/73/39/95/1100733995.db2.gz XDJKJJQMGWLJJQ-HNNXBMFYSA-N 0 0 341.367 2.993 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(N(C)C)c(C=O)c2)c(N)c1[N+](=O)[O-] ZINC001636729219 1100735147 /nfs/dbraw/zinc/73/51/47/1100735147.db2.gz RRJARXIEKIOXRV-UHFFFAOYSA-N 0 0 342.355 2.616 10 5 EFBERN O=C(NCCOc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC001636754275 1100736030 /nfs/dbraw/zinc/73/60/30/1100736030.db2.gz KRPRCNRPRJZKEY-UHFFFAOYSA-N 0 0 327.699 2.524 10 5 EFBERN Cc1cc([C@@H](C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)ccc1F ZINC001636825221 1100740411 /nfs/dbraw/zinc/74/04/11/1100740411.db2.gz PHUMHUMQKFSXHH-SSDOTTSWSA-N 0 0 326.715 2.910 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CCO)c2ccc(Cl)cc2)n1 ZINC001636876523 1100743819 /nfs/dbraw/zinc/74/38/19/1100743819.db2.gz KDQBAHFJLKVFDK-CQSZACIVSA-N 0 0 349.774 2.805 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCOc1cccc(F)c1 ZINC001636975843 1100747672 /nfs/dbraw/zinc/74/76/72/1100747672.db2.gz LEDLPYQZFKFEDN-UHFFFAOYSA-N 0 0 333.319 2.515 10 5 EFBERN O=C(Nc1cccc2[nH]c(=O)[nH]c21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001636994232 1100749532 /nfs/dbraw/zinc/74/95/32/1100749532.db2.gz TZWTYROHGXWNGX-UHFFFAOYSA-N 0 0 348.265 2.907 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2ccc3c(c2)C(=O)OC3)cc1[N+](=O)[O-] ZINC001637024003 1100751752 /nfs/dbraw/zinc/75/17/52/1100751752.db2.gz WQTBZLCYHRUYNZ-UHFFFAOYSA-N 0 0 347.714 2.753 10 5 EFBERN O=C(Nc1ccc2nncn2c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001637134593 1100759222 /nfs/dbraw/zinc/75/92/22/1100759222.db2.gz JOTGHVUKXMPBLW-UHFFFAOYSA-N 0 0 335.682 2.682 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2cccc3c2COC3=O)cc1[N+](=O)[O-] ZINC001637134353 1100759740 /nfs/dbraw/zinc/75/97/40/1100759740.db2.gz MBVWLHNQAYYKFE-UHFFFAOYSA-N 0 0 347.714 2.753 10 5 EFBERN Cn1ncc2c1CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001637140815 1100760371 /nfs/dbraw/zinc/76/03/71/1100760371.db2.gz PSTLHDIJWJMUQS-UHFFFAOYSA-N 0 0 341.154 2.791 10 5 EFBERN O=C(NCc1ccc2[nH]cnc2c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001637157532 1100761153 /nfs/dbraw/zinc/76/11/53/1100761153.db2.gz BXTNWNGXVOYVBW-LSDHHAIUSA-N 0 0 336.351 2.891 10 5 EFBERN O=C(NCc1ccc2[nH]cnc2c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001637157528 1100761390 /nfs/dbraw/zinc/76/13/90/1100761390.db2.gz BXTNWNGXVOYVBW-GJZGRUSLSA-N 0 0 336.351 2.891 10 5 EFBERN Nc1ccc(NC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001637199834 1100763884 /nfs/dbraw/zinc/76/38/84/1100763884.db2.gz DMRZCJPMLGPGOU-UHFFFAOYSA-N 0 0 342.233 2.549 10 5 EFBERN O=C(Nc1ccnn1C1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001637256685 1100768539 /nfs/dbraw/zinc/76/85/39/1100768539.db2.gz DTUCVGFKYIBCKI-UHFFFAOYSA-N 0 0 339.311 2.632 10 5 EFBERN CC(C)[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001637320529 1100771930 /nfs/dbraw/zinc/77/19/30/1100771930.db2.gz BESCLKQMPAHPMC-CQSZACIVSA-N 0 0 326.780 2.674 10 5 EFBERN Cc1cc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC001637312809 1100772550 /nfs/dbraw/zinc/77/25/50/1100772550.db2.gz VSPSWICSNREKEK-MRXNPFEDSA-N 0 0 348.786 2.890 10 5 EFBERN O=C(NCc1cnc(Cl)cn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001637384461 1100777628 /nfs/dbraw/zinc/77/76/28/1100777628.db2.gz GAKLHLSVSOKANN-UHFFFAOYSA-N 0 0 332.703 2.714 10 5 EFBERN CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001637446578 1100782962 /nfs/dbraw/zinc/78/29/62/1100782962.db2.gz NVVYKWDBWROXDX-LBPRGKRZSA-N 0 0 345.355 2.888 10 5 EFBERN Cc1c(C(=O)NOc2ccccc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001637447186 1100783344 /nfs/dbraw/zinc/78/33/44/1100783344.db2.gz MLKFPDHKMITQOV-UHFFFAOYSA-N 0 0 335.247 2.674 10 5 EFBERN CCc1cnccc1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001637485136 1100786145 /nfs/dbraw/zinc/78/61/45/1100786145.db2.gz AHBTXRFFHUTWRP-UHFFFAOYSA-N 0 0 334.763 2.718 10 5 EFBERN Cc1csc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001637542537 1100788488 /nfs/dbraw/zinc/78/84/88/1100788488.db2.gz ZGTSCULMMQWPOV-UHFFFAOYSA-N 0 0 340.792 2.855 10 5 EFBERN O=C(NC1(c2ccc(F)cc2F)CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC001637600925 1100793900 /nfs/dbraw/zinc/79/39/00/1100793900.db2.gz RGNBVPYZVFSBHX-UHFFFAOYSA-N 0 0 336.298 2.795 10 5 EFBERN Nc1ncc(C(=O)NCCc2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC001637628803 1100795804 /nfs/dbraw/zinc/79/58/04/1100795804.db2.gz YBLKTFVXUVFITC-UHFFFAOYSA-N 0 0 342.380 2.759 10 5 EFBERN Nc1nccc(C(=O)NCCc2cc3ccccc3s2)c1[N+](=O)[O-] ZINC001637628053 1100795811 /nfs/dbraw/zinc/79/58/11/1100795811.db2.gz PEYJAIJQMSWREU-UHFFFAOYSA-N 0 0 342.380 2.759 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC001637701797 1100800731 /nfs/dbraw/zinc/80/07/31/1100800731.db2.gz BRFFZABNFFMNQQ-MRXNPFEDSA-N 0 0 349.431 2.891 10 5 EFBERN O=C(Cc1ccnc(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001637703758 1100800809 /nfs/dbraw/zinc/80/08/09/1100800809.db2.gz PDOJOKKPDNJDPZ-UHFFFAOYSA-N 0 0 329.331 2.863 10 5 EFBERN Cc1ccc(CNC(=O)N2CC(Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001637702101 1100801205 /nfs/dbraw/zinc/80/12/05/1100801205.db2.gz NAJMKAPYVNFHAC-UHFFFAOYSA-N 0 0 341.367 2.876 10 5 EFBERN CCc1nnc([C@@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]1 ZINC001637744606 1100802947 /nfs/dbraw/zinc/80/29/47/1100802947.db2.gz CKHGEIIMIJYXSS-LLVKDONJSA-N 0 0 343.387 2.574 10 5 EFBERN Cc1c(C(=O)NCCc2cccc([N+](=O)[O-])c2)[nH]nc1C(F)(F)F ZINC001637785212 1100805289 /nfs/dbraw/zinc/80/52/89/1100805289.db2.gz CUANEUBWIQAUTJ-UHFFFAOYSA-N 0 0 342.277 2.618 10 5 EFBERN O=C(CCC(=O)N1CCc2ccncc21)c1cccc([N+](=O)[O-])c1 ZINC001637806140 1100806588 /nfs/dbraw/zinc/80/65/88/1100806588.db2.gz RXRUICFVUCJSSZ-UHFFFAOYSA-N 0 0 325.324 2.542 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2nc[nH]c(=O)c21 ZINC001637830293 1100808383 /nfs/dbraw/zinc/80/83/83/1100808383.db2.gz XTHBQOICNVMTLU-UHFFFAOYSA-N 0 0 339.311 2.538 10 5 EFBERN C[C@@H](C(=O)Nc1cccc2nc[nH]c(=O)c21)c1cccc([N+](=O)[O-])c1 ZINC001637833526 1100809870 /nfs/dbraw/zinc/80/98/70/1100809870.db2.gz OCOWNIDBBMBMPQ-SNVBAGLBSA-N 0 0 338.323 2.986 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCc2c3ccccc3[nH]c2C1 ZINC001637872749 1100812672 /nfs/dbraw/zinc/81/26/72/1100812672.db2.gz CBNZJUXNHBURFS-UHFFFAOYSA-N 0 0 345.746 2.651 10 5 EFBERN Cc1noc([C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C(C)C)n1 ZINC001637901047 1100816175 /nfs/dbraw/zinc/81/61/75/1100816175.db2.gz PQSLLNQDTPKQEP-CQSZACIVSA-N 0 0 343.343 2.895 10 5 EFBERN C[C@@H](NC(=O)N[C@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC001637940035 1100819012 /nfs/dbraw/zinc/81/90/12/1100819012.db2.gz AWEHVKVUQBLYOD-YPMHNXCESA-N 0 0 329.360 2.687 10 5 EFBERN O=C(Nc1nc2n(n1)CCCC2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001637959972 1100820468 /nfs/dbraw/zinc/82/04/68/1100820468.db2.gz CKPQNSZCDJOXAU-UHFFFAOYSA-N 0 0 339.714 2.567 10 5 EFBERN Cc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1-c1ccccc1 ZINC001637971517 1100821575 /nfs/dbraw/zinc/82/15/75/1100821575.db2.gz FGYWNHULZDXLQV-UHFFFAOYSA-N 0 0 325.328 2.884 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cc(F)cnc1Cl ZINC001637973271 1100822233 /nfs/dbraw/zinc/82/22/33/1100822233.db2.gz RCAABGRUEJSXEF-UHFFFAOYSA-N 0 0 341.701 2.780 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001638009337 1100826283 /nfs/dbraw/zinc/82/62/83/1100826283.db2.gz UJZQTJXGEWBPHI-BNOWGMLFSA-N 0 0 342.399 2.956 10 5 EFBERN Cc1cnc2c(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cnn2c1 ZINC001638230475 1100842561 /nfs/dbraw/zinc/84/25/61/1100842561.db2.gz GNPZAGJGOIVORE-UHFFFAOYSA-N 0 0 325.328 2.815 10 5 EFBERN C/C=C\C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(=O)OCC ZINC001638285529 1100847844 /nfs/dbraw/zinc/84/78/44/1100847844.db2.gz WALIXIQJDHTOCZ-PKXJPQMGSA-N 0 0 345.355 2.704 10 5 EFBERN COc1ccccc1C(F)(F)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001638381428 1100853929 /nfs/dbraw/zinc/85/39/29/1100853929.db2.gz IYAYQMQSXXVVLR-UHFFFAOYSA-N 0 0 337.282 2.916 10 5 EFBERN C[C@]1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCOc2ccccc21 ZINC001638385882 1100854260 /nfs/dbraw/zinc/85/42/60/1100854260.db2.gz NJKWXWKYGQPEKO-KRWDZBQOSA-N 0 0 327.340 2.856 10 5 EFBERN Nc1c2cccnc2sc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001638385829 1100854473 /nfs/dbraw/zinc/85/44/73/1100854473.db2.gz LHUOPGNFRWMSIO-UHFFFAOYSA-N 0 0 329.341 2.621 10 5 EFBERN Cc1nn(C)c(C(=O)NCc2ccccc2OC(C)(C)C)c1[N+](=O)[O-] ZINC001638398088 1100856975 /nfs/dbraw/zinc/85/69/75/1100856975.db2.gz DAUNZDJDYFHDQU-UHFFFAOYSA-N 0 0 346.387 2.744 10 5 EFBERN COc1cc(C(=O)N[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC001638494723 1100863010 /nfs/dbraw/zinc/86/30/10/1100863010.db2.gz RWEPXGUHPLRRKR-SECBINFHSA-N 0 0 334.303 2.939 10 5 EFBERN Cc1c2nc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)sc2ccc1F ZINC001638486947 1100863020 /nfs/dbraw/zinc/86/30/20/1100863020.db2.gz HRJCDTBYBUDQDN-UHFFFAOYSA-N 0 0 347.331 2.882 10 5 EFBERN O=C(NC[C@H](CO)Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001638483299 1100863787 /nfs/dbraw/zinc/86/37/87/1100863787.db2.gz WWBORAWOAYYNJI-CYBMUJFWSA-N 0 0 348.786 2.829 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1noc(C(F)F)n1 ZINC001638702470 1100880367 /nfs/dbraw/zinc/88/03/67/1100880367.db2.gz RQDQCLOGCYULPA-LURJTMIESA-N 0 0 344.249 2.854 10 5 EFBERN C[C@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)c1ccccc1[N+](=O)[O-] ZINC001638707361 1100880384 /nfs/dbraw/zinc/88/03/84/1100880384.db2.gz ITIGTWZUJMIXCA-MGPQQGTHSA-N 0 0 335.404 2.549 10 5 EFBERN COc1ccc(C(=O)NCc2c(C)cc(CO)cc2C)cc1[N+](=O)[O-] ZINC001638715508 1100881178 /nfs/dbraw/zinc/88/11/78/1100881178.db2.gz BIPZTWNNHZILIA-UHFFFAOYSA-N 0 0 344.367 2.643 10 5 EFBERN CC[C@H](C)C[C@H](CO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001638746084 1100882978 /nfs/dbraw/zinc/88/29/78/1100882978.db2.gz CMCDYWIKGOWDND-WCQYABFASA-N 0 0 345.399 2.857 10 5 EFBERN COc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001638752168 1100884584 /nfs/dbraw/zinc/88/45/84/1100884584.db2.gz UOWHQLJYVNIJIZ-UHFFFAOYSA-N 0 0 344.323 2.911 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC)cc1O ZINC001638751719 1100885023 /nfs/dbraw/zinc/88/50/23/1100885023.db2.gz MSRCGPBOLCSXCQ-UHFFFAOYSA-N 0 0 332.312 2.960 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCCC12OCCO2 ZINC001638852274 1100891023 /nfs/dbraw/zinc/89/10/23/1100891023.db2.gz UYTJEXYMYHKGHV-ZDUSSCGKSA-N 0 0 343.339 2.625 10 5 EFBERN O=C(Nc1cc(-c2cccs2)on1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001638885480 1100895173 /nfs/dbraw/zinc/89/51/73/1100895173.db2.gz LXSOFHCLBXVGMO-UHFFFAOYSA-N 0 0 332.297 2.664 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(-c2cccs2)on1 ZINC001638885065 1100895206 /nfs/dbraw/zinc/89/52/06/1100895206.db2.gz ARXRXJHKJKWTBY-UHFFFAOYSA-N 0 0 347.356 2.845 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1CC(=O)CC2 ZINC001638896524 1100897344 /nfs/dbraw/zinc/89/73/44/1100897344.db2.gz SHCAAIGHXLMFGF-UHFFFAOYSA-N 0 0 339.351 2.947 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(OC)nc1 ZINC001638896510 1100897475 /nfs/dbraw/zinc/89/74/75/1100897475.db2.gz RMPGTZKCPFWYKI-UHFFFAOYSA-N 0 0 330.344 2.611 10 5 EFBERN C[S@](=N)(=O)c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC001638931769 1100899369 /nfs/dbraw/zinc/89/93/69/1100899369.db2.gz LYHWQOPTQXOKEA-DEOSSOPVSA-N 0 0 348.384 2.681 10 5 EFBERN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001639078843 1100910773 /nfs/dbraw/zinc/91/07/73/1100910773.db2.gz NLSWKEIKQCAMCP-SNVBAGLBSA-N 0 0 344.346 2.915 10 5 EFBERN COc1cc(C)cnc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001639087848 1100912425 /nfs/dbraw/zinc/91/24/25/1100912425.db2.gz KQKPUBYSPRKEKT-UHFFFAOYSA-N 0 0 337.282 2.515 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cc([C@H]2CCCO2)[nH]n1 ZINC001639123515 1100915102 /nfs/dbraw/zinc/91/51/02/1100915102.db2.gz HHINMGDMLNRILC-CQSZACIVSA-N 0 0 348.334 2.880 10 5 EFBERN Cc1ccc(-n2nnnc2Sc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001639154456 1100919992 /nfs/dbraw/zinc/91/99/92/1100919992.db2.gz JUOSHULAOLHCKJ-UHFFFAOYSA-N 0 0 332.320 2.564 10 5 EFBERN COC(=O)Cc1ccc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC001639171432 1100921792 /nfs/dbraw/zinc/92/17/92/1100921792.db2.gz GPARLILJXNUXRY-UHFFFAOYSA-N 0 0 330.340 2.931 10 5 EFBERN COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001639197451 1100923765 /nfs/dbraw/zinc/92/37/65/1100923765.db2.gz MQABZYLVZGEZHV-LRDDRELGSA-N 0 0 341.367 2.719 10 5 EFBERN CCn1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC001639212963 1100925425 /nfs/dbraw/zinc/92/54/25/1100925425.db2.gz YXPYXWGJKHQYFK-UHFFFAOYSA-N 0 0 346.390 2.828 10 5 EFBERN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c2ccccc12 ZINC001639223338 1100926145 /nfs/dbraw/zinc/92/61/45/1100926145.db2.gz MAIMEDHRHQPMKX-UHFFFAOYSA-N 0 0 336.351 2.964 10 5 EFBERN O=C(NC[C@H]1CCc2cccnc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001639227950 1100927569 /nfs/dbraw/zinc/92/75/69/1100927569.db2.gz HIHOCDUIJUYZAT-GFCCVEGCSA-N 0 0 336.351 2.931 10 5 EFBERN Cc1cc(OCC(=O)Nc2ccc3ncn(C)c3c2)ccc1[N+](=O)[O-] ZINC001639242754 1100927927 /nfs/dbraw/zinc/92/79/27/1100927927.db2.gz ODSMXACLKIVPAB-UHFFFAOYSA-N 0 0 340.339 2.807 10 5 EFBERN CN(CC(=O)Nc1ccc2ncn(C)c2c1)c1ccccc1[N+](=O)[O-] ZINC001639240075 1100928465 /nfs/dbraw/zinc/92/84/65/1100928465.db2.gz XKDKUHKXHCAVTE-UHFFFAOYSA-N 0 0 339.355 2.556 10 5 EFBERN O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001639241862 1100928509 /nfs/dbraw/zinc/92/85/09/1100928509.db2.gz YXZNEKCBWFIJCF-HNNXBMFYSA-N 0 0 343.314 2.937 10 5 EFBERN C[C@@H](C(=O)NCc1nc2c([nH]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001639300637 1100936116 /nfs/dbraw/zinc/93/61/16/1100936116.db2.gz VXQYXVRAKUFMIQ-LLVKDONJSA-N 0 0 328.372 2.617 10 5 EFBERN O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001639348346 1100940548 /nfs/dbraw/zinc/94/05/48/1100940548.db2.gz ZSGFQTYBQCHSSE-UHFFFAOYSA-N 0 0 341.323 2.857 10 5 EFBERN COc1nscc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001639451872 1100951070 /nfs/dbraw/zinc/95/10/70/1100951070.db2.gz VZFZOZIVOAQXOR-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN CC(=O)NCc1ccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001639460452 1100951900 /nfs/dbraw/zinc/95/19/00/1100951900.db2.gz TWYXOXSWOILNEP-UHFFFAOYSA-N 0 0 325.328 2.851 10 5 EFBERN Cc1ccccc1O[C@H](C)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001639536157 1100958651 /nfs/dbraw/zinc/95/86/51/1100958651.db2.gz FRXBBPAIVFGKJS-GFCCVEGCSA-N 0 0 329.356 2.882 10 5 EFBERN O=C(Nc1ccc2c[nH+]cn2c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001639575731 1100962967 /nfs/dbraw/zinc/96/29/67/1100962967.db2.gz LBSHZHNMNJSWBB-UHFFFAOYSA-N 0 0 332.703 2.854 10 5 EFBERN COc1c[nH]nc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001639579391 1100963569 /nfs/dbraw/zinc/96/35/69/1100963569.db2.gz CXUZMVCNKJGYOG-UHFFFAOYSA-N 0 0 348.362 2.525 10 5 EFBERN Cc1cc(C(=O)Nc2ccc(COCCO)cc2)ccc1[N+](=O)[O-] ZINC001639597555 1100964827 /nfs/dbraw/zinc/96/48/27/1100964827.db2.gz BYIJOXIBINOMNO-UHFFFAOYSA-N 0 0 330.340 2.664 10 5 EFBERN C[C@H](CC(N)=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001639601261 1100964945 /nfs/dbraw/zinc/96/49/45/1100964945.db2.gz TWVWTCZESLPQLY-SNVBAGLBSA-N 0 0 345.330 2.965 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Nc2cccc(-n3ccnn3)c2)cc1F ZINC001639630427 1100968940 /nfs/dbraw/zinc/96/89/40/1100968940.db2.gz IPOPBVMKEKCWLY-UHFFFAOYSA-N 0 0 329.291 2.551 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCCc1ccc2c(c1)OCCO2 ZINC001639643031 1100969700 /nfs/dbraw/zinc/96/97/00/1100969700.db2.gz UBSBHDABQCHVQG-UHFFFAOYSA-N 0 0 349.774 2.881 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(OCC(C)C)C2)cc1C ZINC001639651397 1100969920 /nfs/dbraw/zinc/96/99/20/1100969920.db2.gz ZBRLIIQRBXOEHD-UHFFFAOYSA-N 0 0 336.388 2.941 10 5 EFBERN CCn1cc(Cl)cc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001639663663 1100971368 /nfs/dbraw/zinc/97/13/68/1100971368.db2.gz RTSGPVDWBBBUTF-UHFFFAOYSA-N 0 0 347.762 2.876 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC[C@H]3CCCCO3)c2c1 ZINC001639685840 1100974217 /nfs/dbraw/zinc/97/42/17/1100974217.db2.gz ORBNXYBKBMHHCB-GFCCVEGCSA-N 0 0 346.343 2.844 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cnc(Cl)cn2)c1F ZINC001141841623 1100977069 /nfs/dbraw/zinc/97/70/69/1100977069.db2.gz LDVPWHNDALWPSD-UHFFFAOYSA-N 0 0 342.689 2.555 10 5 EFBERN Nc1c(C(=O)N2CCCc3n[nH]cc32)cc2ccccc2c1[N+](=O)[O-] ZINC001639728296 1100978782 /nfs/dbraw/zinc/97/87/82/1100978782.db2.gz NEGCQXLXSWLBEM-UHFFFAOYSA-N 0 0 337.339 2.646 10 5 EFBERN O=C(Nc1ccn(C2CCCCC2)n1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001639749054 1100980697 /nfs/dbraw/zinc/98/06/97/1100980697.db2.gz ZPPJWCKLQMCINK-UHFFFAOYSA-N 0 0 338.755 2.925 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC2(CC(=O)OC(C)(C)C)CCC2)n1 ZINC001639751955 1100981135 /nfs/dbraw/zinc/98/11/35/1100981135.db2.gz YBMKNEIEISRTCG-UHFFFAOYSA-N 0 0 349.387 2.683 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC001639768965 1100982327 /nfs/dbraw/zinc/98/23/27/1100982327.db2.gz QJIWEHMOJDTRDR-RFAUZJTJSA-N 0 0 336.294 2.725 10 5 EFBERN CCOC(CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-])OCC ZINC001639790230 1100983219 /nfs/dbraw/zinc/98/32/19/1100983219.db2.gz DNFLYYFWYAHTIF-UHFFFAOYSA-N 0 0 326.349 2.583 10 5 EFBERN Cc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c(Cl)c1C ZINC001639886314 1100992072 /nfs/dbraw/zinc/99/20/72/1100992072.db2.gz GBNHWOGCMITJAB-UHFFFAOYSA-N 0 0 335.747 2.665 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc2nsnc21 ZINC001639889901 1100993234 /nfs/dbraw/zinc/99/32/34/1100993234.db2.gz IHZLLXJQBGIJKJ-UHFFFAOYSA-N 0 0 328.353 2.572 10 5 EFBERN Nc1ncc(C(=O)NCCCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC001639920497 1100995792 /nfs/dbraw/zinc/99/57/92/1100995792.db2.gz PWYAWECIZGAGID-UHFFFAOYSA-N 0 0 334.763 2.588 10 5 EFBERN Nc1nc(NCCOc2ccc(Cl)c(Cl)c2)ncc1[N+](=O)[O-] ZINC001639973088 1100999437 /nfs/dbraw/zinc/99/94/37/1100999437.db2.gz OZSMKUIICJCLDI-UHFFFAOYSA-N 0 0 344.158 2.765 10 5 EFBERN Cc1nn(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(C)c1Cl ZINC001639992765 1101000307 /nfs/dbraw/zinc/00/03/07/1101000307.db2.gz GOFCGGPEXNBXTH-UHFFFAOYSA-N 0 0 337.767 2.591 10 5 EFBERN Cc1ccc(NC(=O)c2cnn3c2C[C@@H](C)CC3)c(N)c1[N+](=O)[O-] ZINC001639997290 1101000787 /nfs/dbraw/zinc/00/07/87/1101000787.db2.gz HNWPYGDUOKJTKS-VIFPVBQESA-N 0 0 329.360 2.517 10 5 EFBERN Cc1ccc(NC(=O)c2ccnc(OC(F)F)c2)c(N)c1[N+](=O)[O-] ZINC001639997478 1101001350 /nfs/dbraw/zinc/00/13/50/1101001350.db2.gz PJORMASTMUCARK-UHFFFAOYSA-N 0 0 338.270 2.734 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](CC(C)C)n2ccnc2)c(N)c1[N+](=O)[O-] ZINC001639997496 1101002156 /nfs/dbraw/zinc/00/21/56/1101002156.db2.gz QHSMJAUREJAUCF-CYBMUJFWSA-N 0 0 331.376 2.908 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H](CO)Cc1cccnc1 ZINC001640004447 1101003330 /nfs/dbraw/zinc/00/33/30/1101003330.db2.gz AZNRXGVSGGLHLM-AWEZNQCLSA-N 0 0 338.367 2.801 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1Oc1cccc(C=O)c1Br ZINC001640012503 1101004516 /nfs/dbraw/zinc/00/45/16/1101004516.db2.gz YHCBNZVXSNBNAH-UHFFFAOYSA-N 0 0 326.106 2.696 10 5 EFBERN Cc1cc(C(=O)Nc2n[nH]cc2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001640029736 1101007146 /nfs/dbraw/zinc/00/71/46/1101007146.db2.gz LFSUAXLGFWMGMA-UHFFFAOYSA-N 0 0 346.343 2.834 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(CCN2CCOCC2)Cc2ccco2)c1 ZINC001640032860 1101008135 /nfs/dbraw/zinc/00/81/35/1101008135.db2.gz MUTSCRRPOYDJOD-UHFFFAOYSA-N 0 0 345.399 2.835 10 5 EFBERN O=C(/C=C\c1nccs1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001640049136 1101009704 /nfs/dbraw/zinc/00/97/04/1101009704.db2.gz KPLABTZGRGGVPZ-UPHRSURJSA-N 0 0 325.296 2.659 10 5 EFBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)C(=O)Nc1ncccc1O ZINC001640085984 1101012572 /nfs/dbraw/zinc/01/25/72/1101012572.db2.gz BQSCEMRIJTZPEV-VHSXEESVSA-N 0 0 348.334 2.910 10 5 EFBERN C[C@@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1nccc(N)n1 ZINC001640090915 1101012780 /nfs/dbraw/zinc/01/27/80/1101012780.db2.gz ZFLQEHTZCMMTRU-SSDOTTSWSA-N 0 0 345.750 2.737 10 5 EFBERN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC001640085985 1101012802 /nfs/dbraw/zinc/01/28/02/1101012802.db2.gz BQSCEMRIJTZPEV-ZJUUUORDSA-N 0 0 348.334 2.910 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001640093407 1101013442 /nfs/dbraw/zinc/01/34/42/1101013442.db2.gz VWGWYFDJZMYBFJ-IAGOWNOFSA-N 0 0 343.383 2.521 10 5 EFBERN O=c1ccc(CCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])c[nH]1 ZINC001640101798 1101015048 /nfs/dbraw/zinc/01/50/48/1101015048.db2.gz JJUHFHPCIIVRHO-UHFFFAOYSA-N 0 0 344.758 2.974 10 5 EFBERN O=c1cc([C@@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)[nH][nH]1 ZINC001640108826 1101015242 /nfs/dbraw/zinc/01/52/42/1101015242.db2.gz BKIYSBBKSZNFGF-LLVKDONJSA-N 0 0 325.328 2.566 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1COCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001640139308 1101016532 /nfs/dbraw/zinc/01/65/32/1101016532.db2.gz BKAZBXXKOPKMGF-CYBMUJFWSA-N 0 0 342.779 2.795 10 5 EFBERN COc1cc(C(=O)N2CCC=C(c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC001640201493 1101020787 /nfs/dbraw/zinc/02/07/87/1101020787.db2.gz IVPLBWLONGTZJG-UHFFFAOYSA-N 0 0 339.351 2.928 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cc2oc(=O)[nH]c2cc1F ZINC001640207474 1101022133 /nfs/dbraw/zinc/02/21/33/1101022133.db2.gz COJVCMDRQBLVKN-UHFFFAOYSA-N 0 0 346.274 2.631 10 5 EFBERN CNc1ccc(C(=O)NCc2c(C)nc3ccccn32)cc1[N+](=O)[O-] ZINC001640250238 1101029398 /nfs/dbraw/zinc/02/93/98/1101029398.db2.gz IOHYSEHPEULRJY-UHFFFAOYSA-N 0 0 339.355 2.523 10 5 EFBERN CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1cnn(C)c1 ZINC001640271696 1101031948 /nfs/dbraw/zinc/03/19/48/1101031948.db2.gz VTVOTDLSUUADQG-UHFFFAOYSA-N 0 0 339.355 2.730 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CC2(CO1)CCOCC2 ZINC001640292458 1101032345 /nfs/dbraw/zinc/03/23/45/1101032345.db2.gz BYMPOMSFSNFDRI-NSHDSACASA-N 0 0 337.332 2.501 10 5 EFBERN O=[N+]([O-])c1ccc(NC2CN(c3ccncn3)C2)nc1-c1ccccc1 ZINC001640303114 1101033216 /nfs/dbraw/zinc/03/32/16/1101033216.db2.gz FGDUEAFQMNGMSH-UHFFFAOYSA-N 0 0 348.366 2.748 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1Cl ZINC001640362110 1101039573 /nfs/dbraw/zinc/03/95/73/1101039573.db2.gz MVCMDGUJSFLGBP-IUODEOHRSA-N 0 0 332.743 2.636 10 5 EFBERN O=C(O[C@H]1CNOC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001640358449 1101039584 /nfs/dbraw/zinc/03/95/84/1101039584.db2.gz JSMYWPSKPWWQKL-NSHDSACASA-N 0 0 346.364 2.806 10 5 EFBERN CCOC(=O)c1ccnc(NCc2ncc(C)cc2C)c1[N+](=O)[O-] ZINC001640384525 1101040688 /nfs/dbraw/zinc/04/06/88/1101040688.db2.gz DLCTXQDCIZLOGR-UHFFFAOYSA-N 0 0 330.344 2.790 10 5 EFBERN CNC(=O)N[C@@H]1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001640407035 1101043401 /nfs/dbraw/zinc/04/34/01/1101043401.db2.gz AOSKVBGIELALJV-MRVPVSSYSA-N 0 0 347.202 2.799 10 5 EFBERN CC(=O)c1ccc(N2CC(CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000840377196 1101044614 /nfs/dbraw/zinc/04/46/14/1101044614.db2.gz PJJQVXSFCYGABR-UHFFFAOYSA-N 0 0 326.352 2.548 10 5 EFBERN COc1cc(NCCc2nc(C(C)C)nn2C)c([N+](=O)[O-])cc1OC ZINC001640411734 1101044831 /nfs/dbraw/zinc/04/48/31/1101044831.db2.gz COHAESPRUUSMSH-UHFFFAOYSA-N 0 0 349.391 2.519 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](c3cnccn3)C2)cc1OC(F)F ZINC001640452789 1101048487 /nfs/dbraw/zinc/04/84/87/1101048487.db2.gz IONIPFGEFYUZKJ-JTQLQIEISA-N 0 0 336.298 2.980 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCC1(NC(=O)OC(C)(C)C)CC1 ZINC001640472997 1101051044 /nfs/dbraw/zinc/05/10/44/1101051044.db2.gz LHVKGEBEHXYQTM-UHFFFAOYSA-N 0 0 339.396 2.589 10 5 EFBERN CCOC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001640481556 1101051504 /nfs/dbraw/zinc/05/15/04/1101051504.db2.gz PQAPLWFJCBBJQS-SECBINFHSA-N 0 0 343.177 2.747 10 5 EFBERN Cc1noc(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001640474077 1101051599 /nfs/dbraw/zinc/05/15/99/1101051599.db2.gz UAUCKNGYMSBDCV-UHFFFAOYSA-N 0 0 332.341 2.773 10 5 EFBERN C[C@@]1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCCCO1 ZINC001640485235 1101052403 /nfs/dbraw/zinc/05/24/03/1101052403.db2.gz QTNBNWPNNWBMGC-INIZCTEOSA-N 0 0 346.343 2.844 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H]2CCOC23CCCCC3)c1[N+](=O)[O-] ZINC001640493743 1101052877 /nfs/dbraw/zinc/05/28/77/1101052877.db2.gz SRFIJKNZYYQBFC-ZDUSSCGKSA-N 0 0 349.387 2.989 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001640496920 1101053492 /nfs/dbraw/zinc/05/34/92/1101053492.db2.gz AXGNDRUQOVJLAT-QWRGUYRKSA-N 0 0 344.184 2.590 10 5 EFBERN Cc1c(Cl)cccc1N1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001640515078 1101054743 /nfs/dbraw/zinc/05/47/43/1101054743.db2.gz YQDDYZVTXOCBME-UHFFFAOYSA-N 0 0 335.795 2.617 10 5 EFBERN Cn1ccnc1[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC001640510841 1101054756 /nfs/dbraw/zinc/05/47/56/1101054756.db2.gz SYMFVLIBWVFXQH-ZDUSSCGKSA-N 0 0 346.297 2.598 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1ccc2c[nH]nc2c1 ZINC001640535282 1101056455 /nfs/dbraw/zinc/05/64/55/1101056455.db2.gz QZSIQXWLZKKEEF-UHFFFAOYSA-N 0 0 342.330 2.891 10 5 EFBERN COC(=O)[C@]1(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC001640543322 1101057426 /nfs/dbraw/zinc/05/74/26/1101057426.db2.gz LDWRHHLSBDWCNV-ZDUSSCGKSA-N 0 0 349.170 2.893 10 5 EFBERN CCc1cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640546410 1101058278 /nfs/dbraw/zinc/05/82/78/1101058278.db2.gz JTLYOXIAGFBPSR-ARFHVFGLSA-N 0 0 340.383 2.768 10 5 EFBERN CCOC(OCC)[C@H](C)Nc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001640549178 1101058542 /nfs/dbraw/zinc/05/85/42/1101058542.db2.gz SDGHQXMREDAGPT-NSHDSACASA-N 0 0 349.387 2.773 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1CCO ZINC001640562345 1101059396 /nfs/dbraw/zinc/05/93/96/1101059396.db2.gz BPCDPELHZJMSDP-CYBMUJFWSA-N 0 0 340.807 2.944 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1Cc1ccc(OCc2ccccc2)nc1 ZINC001640609477 1101064862 /nfs/dbraw/zinc/06/48/62/1101064862.db2.gz CPFBBQAGQVNCQB-UHFFFAOYSA-N 0 0 337.335 2.779 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001640610136 1101065293 /nfs/dbraw/zinc/06/52/93/1101065293.db2.gz UENQIUNRGFQATC-LBPRGKRZSA-N 0 0 329.139 2.797 10 5 EFBERN COc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cnc1OC ZINC001640680577 1101070116 /nfs/dbraw/zinc/07/01/16/1101070116.db2.gz BSJPARARRJCOFQ-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@](C)(O)c1ccccc1 ZINC001640672158 1101070375 /nfs/dbraw/zinc/07/03/75/1101070375.db2.gz SGXCHLSTMMMOHW-APPDUMDISA-N 0 0 332.331 2.760 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001640731429 1101074133 /nfs/dbraw/zinc/07/41/33/1101074133.db2.gz NBURWPRZJUMJKA-GHMZBOCLSA-N 0 0 326.780 2.817 10 5 EFBERN Cc1cc2nccc(NC(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)n2n1 ZINC001168037963 1101074321 /nfs/dbraw/zinc/07/43/21/1101074321.db2.gz QXEKFFJUDHLYMW-UHFFFAOYSA-N 0 0 347.281 2.785 10 5 EFBERN CSc1cccnc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001640737745 1101075710 /nfs/dbraw/zinc/07/57/10/1101075710.db2.gz WWNOSBCLKUNPBX-UHFFFAOYSA-N 0 0 329.341 2.840 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CCc1noc2ccccc21 ZINC001640787237 1101078589 /nfs/dbraw/zinc/07/85/89/1101078589.db2.gz QRLNTMHRIDRKGX-UHFFFAOYSA-N 0 0 325.280 2.887 10 5 EFBERN O=c1oc(-c2ccc(F)cc2)nn1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001640798852 1101079690 /nfs/dbraw/zinc/07/96/90/1101079690.db2.gz HXYBYFAEAGYQBV-UHFFFAOYSA-N 0 0 333.250 2.738 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC001640893163 1101086332 /nfs/dbraw/zinc/08/63/32/1101086332.db2.gz RNWKKRARCASLTB-INIZCTEOSA-N 0 0 338.367 2.939 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCc1cccc(F)c1 ZINC001641008008 1101094711 /nfs/dbraw/zinc/09/47/11/1101094711.db2.gz FAHGATFEEGXLRS-UHFFFAOYSA-N 0 0 329.287 2.793 10 5 EFBERN Cc1nsc(C)c1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC001641007809 1101095185 /nfs/dbraw/zinc/09/51/85/1101095185.db2.gz ACGSDKHSRWTQFJ-UHFFFAOYSA-N 0 0 332.341 2.533 10 5 EFBERN CS(=O)(=O)c1ccc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)o1 ZINC001641035299 1101097827 /nfs/dbraw/zinc/09/78/27/1101097827.db2.gz HXNQNIZNPVBYAX-UHFFFAOYSA-N 0 0 347.352 2.503 10 5 EFBERN CC(=O)OCCCSCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001641093547 1101101544 /nfs/dbraw/zinc/10/15/44/1101101544.db2.gz HKIQBNCHZGSJMX-UHFFFAOYSA-N 0 0 337.357 2.831 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)c2ccccc2O1 ZINC001641095179 1101101552 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Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001641162334 1101109976 /nfs/dbraw/zinc/10/99/76/1101109976.db2.gz ONHVQKJQARNGFT-UHFFFAOYSA-N 0 0 332.247 2.536 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1COc1ccccc1 ZINC001641169846 1101110239 /nfs/dbraw/zinc/11/02/39/1101110239.db2.gz BZJFJMUGNUTSMG-AWEZNQCLSA-N 0 0 341.367 2.861 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)n1 ZINC001641191094 1101112941 /nfs/dbraw/zinc/11/29/41/1101112941.db2.gz OEUBUMYKNUTZDT-ZBFHGGJFSA-N 0 0 345.399 2.720 10 5 EFBERN CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C12CCCCC2 ZINC001641277112 1101120783 /nfs/dbraw/zinc/12/07/83/1101120783.db2.gz UPWPZQVUULMODQ-KGLIPLIRSA-N 0 0 349.387 2.553 10 5 EFBERN O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc([N+](=O)[O-])ccc1F ZINC001641309355 1101125347 /nfs/dbraw/zinc/12/53/47/1101125347.db2.gz WFXXMPBCUZHFET-AWEZNQCLSA-N 0 0 330.315 2.605 10 5 EFBERN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cnn1C1CCOCC1 ZINC001641414076 1101133399 /nfs/dbraw/zinc/13/33/99/1101133399.db2.gz CWWCOFFIPQFOGC-UHFFFAOYSA-N 0 0 330.344 2.704 10 5 EFBERN Cc1ccccc1C[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641467825 1101138820 /nfs/dbraw/zinc/13/88/20/1101138820.db2.gz IQEPIDCOGRRLFZ-CQSZACIVSA-N 0 0 348.786 2.890 10 5 EFBERN O=[N+]([O-])c1ccc(OCCCS[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001641474665 1101139555 /nfs/dbraw/zinc/13/95/55/1101139555.db2.gz MMHALWPQGSDRSG-CQSZACIVSA-N 0 0 345.442 2.674 10 5 EFBERN CCOCCOC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001641520308 1101143108 /nfs/dbraw/zinc/14/31/08/1101143108.db2.gz XKJITERQIXUMGL-UHFFFAOYSA-N 0 0 326.368 2.751 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cnn(CCF)c1 ZINC001641527172 1101144103 /nfs/dbraw/zinc/14/41/03/1101144103.db2.gz QMVKXDRPBOLZBZ-UHFFFAOYSA-N 0 0 344.705 2.735 10 5 EFBERN O=C(Nc1cnn(CCF)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001641526077 1101144285 /nfs/dbraw/zinc/14/42/85/1101144285.db2.gz CRVIDDZKLSUXHA-UHFFFAOYSA-N 0 0 330.678 2.806 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001641555964 1101146006 /nfs/dbraw/zinc/14/60/06/1101146006.db2.gz CCFPRPIIICYURI-CMPLNLGQSA-N 0 0 333.731 2.635 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2nccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC001641628970 1101151883 /nfs/dbraw/zinc/15/18/83/1101151883.db2.gz ZFMMTSKYNDCHKM-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN CN(OCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001641700765 1101158137 /nfs/dbraw/zinc/15/81/37/1101158137.db2.gz WPKLVPPIQBCBMH-UHFFFAOYSA-N 0 0 329.234 2.709 10 5 EFBERN Cc1nn(C)c(C(=O)Nc2cc(-c3cccs3)on2)c1[N+](=O)[O-] ZINC001641716553 1101159058 /nfs/dbraw/zinc/15/90/58/1101159058.db2.gz CKZOPVPSWJOLHC-UHFFFAOYSA-N 0 0 333.329 2.606 10 5 EFBERN O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001641794382 1101166052 /nfs/dbraw/zinc/16/60/52/1101166052.db2.gz OGDOFRKFWRSWLN-AWEZNQCLSA-N 0 0 338.722 2.851 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(Br)[nH]n1 ZINC001641943430 1101177295 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Cc1ccc(-c2[nH]nc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2C)o1 ZINC001642152571 1101193280 /nfs/dbraw/zinc/19/32/80/1101193280.db2.gz AGSFHBPGSWDZGW-UHFFFAOYSA-N 0 0 329.316 2.786 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCc1ccnc(OCC2CC2)c1 ZINC001642224031 1101199705 /nfs/dbraw/zinc/19/97/05/1101199705.db2.gz UQRCLKOQVNUXDN-UHFFFAOYSA-N 0 0 334.763 2.861 10 5 EFBERN CN(CC[S@](=O)C(F)(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001642226512 1101199709 /nfs/dbraw/zinc/19/97/09/1101199709.db2.gz HTMXSITZJKFKEU-NRFANRHFSA-N 0 0 344.742 2.949 10 5 EFBERN CCOC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001642310481 1101204828 /nfs/dbraw/zinc/20/48/28/1101204828.db2.gz PRZNLJIDXINVAC-UHFFFAOYSA-N 0 0 343.339 2.535 10 5 EFBERN Cc1ccc([C@@H](C)Nc2nc(N)nc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001642335112 1101207424 /nfs/dbraw/zinc/20/74/24/1101207424.db2.gz WYVXDOBLVYEKJI-SSDOTTSWSA-N 0 0 342.281 2.862 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1CCc2n[nH]cc2C1 ZINC001642471386 1101216420 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CC(=O)c1ccc(NCc2cc(=O)[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001643187392 1101277640 /nfs/dbraw/zinc/27/76/40/1101277640.db2.gz NFISBTGYUKEUQJ-UHFFFAOYSA-N 0 0 328.328 2.783 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCc1ccc2c(c1)OCCCO2 ZINC001643197256 1101278796 /nfs/dbraw/zinc/27/87/96/1101278796.db2.gz WTDGTXGHHGPDTI-UHFFFAOYSA-N 0 0 349.774 2.881 10 5 EFBERN Cn1ccc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001643199807 1101279586 /nfs/dbraw/zinc/27/95/86/1101279586.db2.gz JPGHPUKUKWTVCF-NSHDSACASA-N 0 0 331.332 2.621 10 5 EFBERN CCC(=O)c1ccc(NCC2(C3(O)CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001643209660 1101280302 /nfs/dbraw/zinc/28/03/02/1101280302.db2.gz AVFHZBSYCQPQBU-UHFFFAOYSA-N 0 0 348.399 2.921 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCNc1ccc(C)cn1 ZINC001643220537 1101281421 /nfs/dbraw/zinc/28/14/21/1101281421.db2.gz YESUYGWQVMMYBF-UHFFFAOYSA-N 0 0 344.371 2.917 10 5 EFBERN CCOC(=O)C1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000058409837 1101282457 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EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1 ZINC001643301938 1101288255 /nfs/dbraw/zinc/28/82/55/1101288255.db2.gz NJAKEPOETMRJMZ-HAQNSBGRSA-N 0 0 346.391 2.754 10 5 EFBERN O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001643314726 1101289298 /nfs/dbraw/zinc/28/92/98/1101289298.db2.gz RVZYQWKDIJFTQH-DOTOQJQBSA-N 0 0 344.298 2.691 10 5 EFBERN CC(C)Oc1nc(Oc2ccc(C(N)=O)cc2F)ccc1[N+](=O)[O-] ZINC001643310872 1101289606 /nfs/dbraw/zinc/28/96/06/1101289606.db2.gz BDKHZXWLLCFBMK-UHFFFAOYSA-N 0 0 335.291 2.807 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC001643306738 1101289672 /nfs/dbraw/zinc/28/96/72/1101289672.db2.gz IQKGCNNEIWUKEL-PHIMTYICSA-N 0 0 347.375 2.710 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccsn1 ZINC001643376656 1101293883 /nfs/dbraw/zinc/29/38/83/1101293883.db2.gz ZQDZOLOZGTZVLI-UHFFFAOYSA-N 0 0 330.325 2.617 10 5 EFBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1noc(C(F)(F)F)n1 ZINC001643382033 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2.685 10 5 EFBERN CCc1nn(C)c(NCc2ccc(C(C)(C)C)[nH]c2=O)c1[N+](=O)[O-] ZINC001651323358 1101310675 /nfs/dbraw/zinc/31/06/75/1101310675.db2.gz UIKNCARAUHTGBH-UHFFFAOYSA-N 0 0 333.392 2.901 10 5 EFBERN CC1(C)C[C@@H](O)CN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001651333927 1101311531 /nfs/dbraw/zinc/31/15/31/1101311531.db2.gz NRTWQCMEIWPCNH-SECBINFHSA-N 0 0 329.194 2.955 10 5 EFBERN O=c1[nH]ccc(Sc2n[nH]c(-c3ccccc3F)n2)c1[N+](=O)[O-] ZINC001651344513 1101313420 /nfs/dbraw/zinc/31/34/20/1101313420.db2.gz GXEZDYJRVSHUHZ-UHFFFAOYSA-N 0 0 333.304 2.771 10 5 EFBERN CNc1c(C(=O)NCc2ccc(O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC001651349312 1101314362 /nfs/dbraw/zinc/31/43/62/1101314362.db2.gz YCWFOCZYBLFKIE-UHFFFAOYSA-N 0 0 335.747 2.926 10 5 EFBERN COc1cc(CNc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1O ZINC001651362522 1101316614 /nfs/dbraw/zinc/31/66/14/1101316614.db2.gz CTUUKSUAHYRCLV-UHFFFAOYSA-N 0 0 334.328 2.938 10 5 EFBERN O=[N+]([O-])c1ccc(NCCNc2ncnc(-c3ccccc3)n2)cc1 ZINC001651365252 1101318114 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EFBERN COC(=O)CC(C)(C)CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001651423886 1101328550 /nfs/dbraw/zinc/32/85/50/1101328550.db2.gz LLHNAPOVRRHHIT-UHFFFAOYSA-N 0 0 347.371 2.575 10 5 EFBERN COc1cccc(-c2cc(CNc3c([N+](=O)[O-])c(C)nn3C)on2)c1 ZINC001651450846 1101332216 /nfs/dbraw/zinc/33/22/16/1101332216.db2.gz FZGBTUCFVDNFBG-UHFFFAOYSA-N 0 0 343.343 2.912 10 5 EFBERN Cc1occc1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651453251 1101332804 /nfs/dbraw/zinc/33/28/04/1101332804.db2.gz BWFIFVHLXOWEOB-UHFFFAOYSA-N 0 0 328.284 2.987 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC(C)(C)CO2)n1 ZINC001651465807 1101335323 /nfs/dbraw/zinc/33/53/23/1101335323.db2.gz HYOXIUCDSHJXNW-LLVKDONJSA-N 0 0 337.376 2.784 10 5 EFBERN COc1ccc(C(C)(C)CNc2nn(C)cc2[N+](=O)[O-])cc1OC ZINC001651489331 1101335857 /nfs/dbraw/zinc/33/58/57/1101335857.db2.gz IHYXRSAFWIBBGQ-UHFFFAOYSA-N 0 0 334.376 2.735 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1 ZINC001651480406 1101335908 /nfs/dbraw/zinc/33/59/08/1101335908.db2.gz GGKFLCDRJCKAEK-ZDUSSCGKSA-N 0 0 340.742 2.699 10 5 EFBERN COC(=O)C1(CCCCNc2c(Cl)cncc2[N+](=O)[O-])CCC1 ZINC001651492763 1101337535 /nfs/dbraw/zinc/33/75/35/1101337535.db2.gz PKUHAOAAEBNPKT-UHFFFAOYSA-N 0 0 341.795 2.991 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N(Cc1cccs1)Cc1ccncc1 ZINC001651512217 1101341422 /nfs/dbraw/zinc/34/14/22/1101341422.db2.gz NJYXARDLTSEVAR-UHFFFAOYSA-N 0 0 329.385 2.992 10 5 EFBERN Cn1cc([C@@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)nn1 ZINC001651509942 1101342535 /nfs/dbraw/zinc/34/25/35/1101342535.db2.gz VREVJQGIXMFWNI-CYBMUJFWSA-N 0 0 338.371 2.656 10 5 EFBERN CCC(CC)[C@H](O)CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001651533329 1101344370 /nfs/dbraw/zinc/34/43/70/1101344370.db2.gz ROATYZFAEIVKMH-MRXNPFEDSA-N 0 0 333.388 2.783 10 5 EFBERN CCC(CC)[C@@H](O)CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001651533327 1101344628 /nfs/dbraw/zinc/34/46/28/1101344628.db2.gz ROATYZFAEIVKMH-INIZCTEOSA-N 0 0 333.388 2.783 10 5 EFBERN Cc1ccc([C@H](C)Nc2cc(C(N)=O)nc(Cl)n2)cc1[N+](=O)[O-] ZINC001651572786 1101348999 /nfs/dbraw/zinc/34/89/99/1101348999.db2.gz SDEUIXFATPJAPK-QMMMGPOBSA-N 0 0 335.751 2.619 10 5 EFBERN COc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1N1CCOC1=O ZINC001651562107 1101349211 /nfs/dbraw/zinc/34/92/11/1101349211.db2.gz HGKOCDLVEYRLLB-UHFFFAOYSA-N 0 0 330.300 2.699 10 5 EFBERN CCC(CC)(CNc1nn(C)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001651562677 1101349999 /nfs/dbraw/zinc/34/99/99/1101349999.db2.gz XDVYEGMRLLBSTE-UHFFFAOYSA-N 0 0 341.412 2.824 10 5 EFBERN O=Cc1ccc(OCCOc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC001651599313 1101354582 /nfs/dbraw/zinc/35/45/82/1101354582.db2.gz HFLLTNXPEARFNA-UHFFFAOYSA-N 0 0 331.280 2.594 10 5 EFBERN Cc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1-c1cccnc1 ZINC001651628056 1101358276 /nfs/dbraw/zinc/35/82/76/1101358276.db2.gz GYXYSLMHLYWYDD-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnc2[nH]ccc2c1 ZINC001651643302 1101358740 /nfs/dbraw/zinc/35/87/40/1101358740.db2.gz JEFZHRKIIJNKHL-UHFFFAOYSA-N 0 0 326.312 2.830 10 5 EFBERN Cc1cc(OCC(=O)Nc2cnc3[nH]ccc3c2)ccc1[N+](=O)[O-] ZINC001651646642 1101360838 /nfs/dbraw/zinc/36/08/38/1101360838.db2.gz QTTCQYUGUUIILU-UHFFFAOYSA-N 0 0 326.312 2.749 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001651652857 1101361132 /nfs/dbraw/zinc/36/11/32/1101361132.db2.gz SFGHAJBEKQYGJU-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN Cc1ccc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000784934828 1101361690 /nfs/dbraw/zinc/36/16/90/1101361690.db2.gz RAOPQCHXGVPVSA-UHFFFAOYSA-N 0 0 334.353 2.953 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@H]1CCC2(CCC2)O1 ZINC001651662939 1101362669 /nfs/dbraw/zinc/36/26/69/1101362669.db2.gz SAEDGTGKNXNVTB-CYBMUJFWSA-N 0 0 325.386 2.779 10 5 EFBERN CCc1nccn1CCNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001651660180 1101362976 /nfs/dbraw/zinc/36/29/76/1101362976.db2.gz DJXDQEHKCIMMLM-OAHLLOKOSA-N 0 0 344.415 2.739 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001651661748 1101363270 /nfs/dbraw/zinc/36/32/70/1101363270.db2.gz CGHOEZVKULKUIC-UHFFFAOYSA-N 0 0 336.325 2.785 10 5 EFBERN CCc1nc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC001651662746 1101364096 /nfs/dbraw/zinc/36/40/96/1101364096.db2.gz QIRDYLBHNPINBU-UHFFFAOYSA-N 0 0 326.399 2.896 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cccc2c1CCOC2 ZINC001651705673 1101370515 /nfs/dbraw/zinc/37/05/15/1101370515.db2.gz RVEGICBHOVWLBM-UHFFFAOYSA-N 0 0 326.308 2.624 10 5 EFBERN Cc1ccc(Oc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c[n+]1[O-] ZINC001651728869 1101372636 /nfs/dbraw/zinc/37/26/36/1101372636.db2.gz AZSCKAYRURLVHG-UHFFFAOYSA-N 0 0 332.703 2.926 10 5 EFBERN CCOC(=O)c1ncc(COc2cc(F)ccc2[N+](=O)[O-])s1 ZINC001651720519 1101373107 /nfs/dbraw/zinc/37/31/07/1101373107.db2.gz HBSMFDLLTPSKHB-UHFFFAOYSA-N 0 0 326.305 2.946 10 5 EFBERN COCCC[C@@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651755938 1101378343 /nfs/dbraw/zinc/37/83/43/1101378343.db2.gz ZYXZUGUNFOLYQX-GFCCVEGCSA-N 0 0 348.403 2.583 10 5 EFBERN C/C(=C\C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC001648788153 1101381677 /nfs/dbraw/zinc/38/16/77/1101381677.db2.gz GCYZXMLCXXNNSI-KQPPXVQYSA-N 0 0 330.340 2.615 10 5 EFBERN CC1(C)CC[C@@H](Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)OC1 ZINC001651789296 1101382942 /nfs/dbraw/zinc/38/29/42/1101382942.db2.gz FFLOZJLHXIRFSJ-ZDUSSCGKSA-N 0 0 333.344 2.617 10 5 EFBERN COc1cc(C(=O)NCc2cccc3nsnc32)ccc1[N+](=O)[O-] ZINC001651816599 1101387587 /nfs/dbraw/zinc/38/75/87/1101387587.db2.gz WPZIIHWYJVNFFB-UHFFFAOYSA-N 0 0 344.352 2.538 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(N2CCC=C(c3ccncc3)C2)cc1F ZINC001651827640 1101391125 /nfs/dbraw/zinc/39/11/25/1101391125.db2.gz XRUWQMNFPNQWJE-UHFFFAOYSA-N 0 0 329.331 2.915 10 5 EFBERN COC(=O)c1cccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1Cl ZINC001651879324 1101399155 /nfs/dbraw/zinc/39/91/55/1101399155.db2.gz RJZFFTAAFJZZTK-UHFFFAOYSA-N 0 0 336.731 2.553 10 5 EFBERN CC(=O)c1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1 ZINC001651878777 1101399271 /nfs/dbraw/zinc/39/92/71/1101399271.db2.gz CLDQNICBEHOZCU-UHFFFAOYSA-N 0 0 339.307 2.662 10 5 EFBERN Cc1cnc(NCCc2cnc3c(Cl)cnn3c2)c([N+](=O)[O-])c1 ZINC001651899630 1101401023 /nfs/dbraw/zinc/40/10/23/1101401023.db2.gz BJRXXKHKLROFIF-UHFFFAOYSA-N 0 0 332.751 2.649 10 5 EFBERN O=[N+]([O-])c1ccc(SCCn2cnc(Br)n2)c(F)c1 ZINC001651910127 1101403234 /nfs/dbraw/zinc/40/32/34/1101403234.db2.gz OKCFYMBDOIENFL-UHFFFAOYSA-N 0 0 347.169 2.880 10 5 EFBERN Cn1cc([N+](=O)[O-])c(Nc2ccc3c(c2)CN(CC(F)(F)F)C3)n1 ZINC001651923989 1101405737 /nfs/dbraw/zinc/40/57/37/1101405737.db2.gz WEKKPGQMTYKUPW-UHFFFAOYSA-N 0 0 341.293 2.950 10 5 EFBERN CCC[C@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C1CCC1 ZINC001651933243 1101406882 /nfs/dbraw/zinc/40/68/82/1101406882.db2.gz ROVFPOXVRWPHRD-ZDUSSCGKSA-N 0 0 341.433 2.884 10 5 EFBERN COC1CCC(Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001651930913 1101407189 /nfs/dbraw/zinc/40/71/89/1101407189.db2.gz TYRZJMRFXKTMMW-UHFFFAOYSA-N 0 0 346.343 2.843 10 5 EFBERN COc1cc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)ccc1C ZINC001651939560 1101407238 /nfs/dbraw/zinc/40/72/38/1101407238.db2.gz RFFIYSKNYHAAPA-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2ncccc2OC)c([N+](=O)[O-])c1 ZINC001651948608 1101409499 /nfs/dbraw/zinc/40/94/99/1101409499.db2.gz IEDRTPOHVIWRLL-SOFGYWHQSA-N 0 0 343.339 2.797 10 5 EFBERN CC1(C)CCC[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001651948815 1101409535 /nfs/dbraw/zinc/40/95/35/1101409535.db2.gz QMKGCCZTMZWMRM-CYBMUJFWSA-N 0 0 349.435 2.850 10 5 EFBERN Cc1c(OC(=O)c2cc(-c3cccnc3)nn2C)cccc1[N+](=O)[O-] ZINC001125296501 1101410302 /nfs/dbraw/zinc/41/03/02/1101410302.db2.gz GRESZCDNSPPWPH-UHFFFAOYSA-N 0 0 338.323 2.918 10 5 EFBERN Nc1nc(SCc2cc(Cl)ccc2[N+](=O)[O-])ncc1[N+](=O)[O-] ZINC001651993766 1101415379 /nfs/dbraw/zinc/41/53/79/1101415379.db2.gz IGHDFJMSNITCRC-UHFFFAOYSA-N 0 0 341.736 2.821 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1 ZINC001648788703 1101427924 /nfs/dbraw/zinc/42/79/24/1101427924.db2.gz QUNQEIQEMVIREQ-SFHVURJKSA-N 0 0 343.383 2.751 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1 ZINC001648788702 1101428102 /nfs/dbraw/zinc/42/81/02/1101428102.db2.gz QUNQEIQEMVIREQ-GOSISDBHSA-N 0 0 343.383 2.751 10 5 EFBERN COC(=O)[C@H]1C[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001652070874 1101430253 /nfs/dbraw/zinc/43/02/53/1101430253.db2.gz RCIRKRAMXRVESC-CZMCAQCFSA-N 0 0 335.747 2.582 10 5 EFBERN COc1cc(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])ccn1 ZINC001652109256 1101436043 /nfs/dbraw/zinc/43/60/43/1101436043.db2.gz SQJZEOGOCJFNKA-UHFFFAOYSA-N 0 0 342.330 2.762 10 5 EFBERN CCc1nn(C)cc1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000784940932 1101438531 /nfs/dbraw/zinc/43/85/31/1101438531.db2.gz WZLDUOJQMVTZAC-UHFFFAOYSA-N 0 0 335.385 2.840 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@]3(CO)C2)cc1C ZINC001652125861 1101438818 /nfs/dbraw/zinc/43/88/18/1101438818.db2.gz ZIJGNJNCKVUWJD-SCLBCKFNSA-N 0 0 348.399 2.679 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@@H](O)c1ccncc1 ZINC001652131841 1101441339 /nfs/dbraw/zinc/44/13/39/1101441339.db2.gz QWZDLLDOGCXIAP-CQSZACIVSA-N 0 0 344.758 2.759 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](C2CCC2)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC001652143860 1101443276 /nfs/dbraw/zinc/44/32/76/1101443276.db2.gz FDLXPROQDNTGLE-GXTWGEPZSA-N 0 0 349.387 2.784 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCC[C@@H](O)C3CCCC3)cc2N1 ZINC001652148550 1101443957 /nfs/dbraw/zinc/44/39/57/1101443957.db2.gz WCFXXDOEQXEUHU-MRXNPFEDSA-N 0 0 333.388 2.833 10 5 EFBERN O=C1NCCN1c1ccc(CNc2c(F)cccc2[N+](=O)[O-])cc1 ZINC001652165615 1101445811 /nfs/dbraw/zinc/44/58/11/1101445811.db2.gz FOOJICJRSBVPOB-UHFFFAOYSA-N 0 0 330.319 2.876 10 5 EFBERN O=[N+]([O-])c1c(NCc2ccnc(-c3ccccn3)n2)nc2ccccn21 ZINC001652171110 1101447091 /nfs/dbraw/zinc/44/70/91/1101447091.db2.gz HIIXXOHCMSDCJG-UHFFFAOYSA-N 0 0 347.338 2.707 10 5 EFBERN COc1ccc(CCNc2nc3ccccn3c2[N+](=O)[O-])cc1O ZINC001652190996 1101449256 /nfs/dbraw/zinc/44/92/56/1101449256.db2.gz CZQHVPXMHNXJQG-UHFFFAOYSA-N 0 0 328.328 2.611 10 5 EFBERN CCc1cc(N(C)Cc2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001652207273 1101452482 /nfs/dbraw/zinc/45/24/82/1101452482.db2.gz JDSBGHBLMRPCMP-UHFFFAOYSA-N 0 0 338.371 2.974 10 5 EFBERN Cc1ccnc(N2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001652217579 1101452635 /nfs/dbraw/zinc/45/26/35/1101452635.db2.gz GTDLSLFPVZGKSU-MAUKXSAKSA-N 0 0 325.368 2.703 10 5 EFBERN Cc1cnc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001652246066 1101459187 /nfs/dbraw/zinc/45/91/87/1101459187.db2.gz YJGUEDUXFWLEIP-VXGBXAGGSA-N 0 0 336.392 2.966 10 5 EFBERN Cc1ccccc1C(=O)COc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001652250332 1101460943 /nfs/dbraw/zinc/46/09/43/1101460943.db2.gz YLHFLENEONCYQF-UHFFFAOYSA-N 0 0 329.308 2.936 10 5 EFBERN COC[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(C)C ZINC001652264420 1101462744 /nfs/dbraw/zinc/46/27/44/1101462744.db2.gz QFUIXYNMIWITLF-LBPRGKRZSA-N 0 0 335.404 2.818 10 5 EFBERN NC(=O)c1cc(NCC[C@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC001652267202 1101464597 /nfs/dbraw/zinc/46/45/97/1101464597.db2.gz JBWBSLMNZSFVJU-QGZVFWFLSA-N 0 0 341.367 2.810 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H]1CCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC001670668089 1101464604 /nfs/dbraw/zinc/46/46/04/1101464604.db2.gz RZIIATIVUHQGCQ-APHBMKBZSA-N 0 0 335.404 2.896 10 5 EFBERN COC(=O)/C=C\c1ccc(NCC2(C3(O)CCC3)CC2)c([N+](=O)[O-])c1 ZINC001652281683 1101469347 /nfs/dbraw/zinc/46/93/47/1101469347.db2.gz BOMMXTMAZHASEM-XQRVVYSFSA-N 0 0 346.383 2.888 10 5 EFBERN CS(=O)(=O)c1ccc(N[C@H](c2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC001652307831 1101473869 /nfs/dbraw/zinc/47/38/69/1101473869.db2.gz QAHKKHYVFPNISN-INIZCTEOSA-N 0 0 347.396 2.957 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](c1ccncc1)C1CC1 ZINC001652308039 1101474181 /nfs/dbraw/zinc/47/41/81/1101474181.db2.gz VCLMOHRIXUNQEM-INIZCTEOSA-N 0 0 347.396 2.957 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2cccc(NS(=O)(=O)C3CC3)c2)nc1 ZINC001652312545 1101475164 /nfs/dbraw/zinc/47/51/64/1101475164.db2.gz DURUWVOQAMXTKQ-UHFFFAOYSA-N 0 0 348.384 2.506 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@]23CCC[C@H]2OCC3)c1 ZINC001652330158 1101478532 /nfs/dbraw/zinc/47/85/32/1101478532.db2.gz MYQIEHXXRPTORN-NVXWUHKLSA-N 0 0 334.372 2.777 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2OCc3ccccc32)c1[N+](=O)[O-] ZINC001652327222 1101479662 /nfs/dbraw/zinc/47/96/62/1101479662.db2.gz SPOFZNCBNYWDTG-AWEZNQCLSA-N 0 0 343.339 2.768 10 5 EFBERN CCC(=O)c1ccc(N2CCn3c(C)nnc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001652339087 1101479890 /nfs/dbraw/zinc/47/98/90/1101479890.db2.gz AUKORIGRTQOBEY-SNVBAGLBSA-N 0 0 329.360 2.669 10 5 EFBERN Cc1cc(C(=O)N=[S@](C)(=O)c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC001652343013 1101481170 /nfs/dbraw/zinc/48/11/70/1101481170.db2.gz OILQPWPRXWKPTB-HSZRJFAPSA-N 0 0 333.369 2.783 10 5 EFBERN C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(F)cc1 ZINC001652348458 1101481270 /nfs/dbraw/zinc/48/12/70/1101481270.db2.gz SVBZGFFHPWSVIH-QHCPKHFHSA-N 0 0 337.332 2.613 10 5 EFBERN Cc1cnc(C(=O)NCCN(C)Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001266301476 1101481380 /nfs/dbraw/zinc/48/13/80/1101481380.db2.gz RJWKEUPTVJGTFV-UHFFFAOYSA-N 0 0 348.428 2.530 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](c1ncccn1)C1CC1 ZINC001652352170 1101483028 /nfs/dbraw/zinc/48/30/28/1101483028.db2.gz VIEYBMJHEAFXPW-OAHLLOKOSA-N 0 0 346.774 2.848 10 5 EFBERN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)O1 ZINC001652441806 1101490434 /nfs/dbraw/zinc/49/04/34/1101490434.db2.gz WYEHYSJIBSWUNH-JTQLQIEISA-N 0 0 342.779 2.653 10 5 EFBERN O=C(Nc1cccc(-c2ccon2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001652525405 1101507224 /nfs/dbraw/zinc/50/72/24/1101507224.db2.gz YXSCOAOALUGKDD-INIZCTEOSA-N 0 0 339.307 2.922 10 5 EFBERN O=[N+]([O-])c1ccc(/C=C\n2cc(I)cn2)o1 ZINC001652676864 1101528615 /nfs/dbraw/zinc/52/86/15/1101528615.db2.gz IRPGZEGGVLNCET-ARJAWSKDSA-N 0 0 331.069 2.617 10 5 EFBERN Cn1cc(COc2ccc([N+](=O)[O-])c3ccccc23)c([N+](=O)[O-])n1 ZINC001652730566 1101536549 /nfs/dbraw/zinc/53/65/49/1101536549.db2.gz XSYFTDYSNNYNLT-UHFFFAOYSA-N 0 0 328.284 2.969 10 5 EFBERN COC(=O)c1ccc(OCc2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC001652763247 1101541245 /nfs/dbraw/zinc/54/12/45/1101541245.db2.gz ZWAWMUDHLQJLHB-UHFFFAOYSA-N 0 0 339.307 2.904 10 5 EFBERN Nc1nc(SC[C@@H]2CCC[C@@H](C(F)(F)F)O2)ncc1[N+](=O)[O-] ZINC001652848518 1101556299 /nfs/dbraw/zinc/55/62/99/1101556299.db2.gz AZRJMJKZWULHRG-XPUUQOCRSA-N 0 0 338.311 2.559 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)n1 ZINC001266625818 1101558784 /nfs/dbraw/zinc/55/87/84/1101558784.db2.gz PETZGWHUQHUSGP-UHFFFAOYSA-N 0 0 339.273 2.988 10 5 EFBERN Cc1nn(CC(=O)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC001652868223 1101561508 /nfs/dbraw/zinc/56/15/08/1101561508.db2.gz BKXKPTOOKIHUGU-UHFFFAOYSA-N 0 0 338.161 2.674 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(F)cccc1OC ZINC001652912459 1101564147 /nfs/dbraw/zinc/56/41/47/1101564147.db2.gz DDKCPPDNMRIJPM-UHFFFAOYSA-N 0 0 333.319 2.714 10 5 EFBERN C[C@H](Oc1ccccc1NC(=O)c1c[nH]nc1[N+](=O)[O-])C(F)(F)F ZINC001625817305 1101567201 /nfs/dbraw/zinc/56/72/01/1101567201.db2.gz JWNRZLAESPYVQV-ZETCQYMHSA-N 0 0 344.249 2.900 10 5 EFBERN Nc1ccn(CSCc2ccc(Cl)cc2)c(=O)c1[N+](=O)[O-] ZINC001652952912 1101570241 /nfs/dbraw/zinc/57/02/41/1101570241.db2.gz RUVYKTGBFBRWAK-UHFFFAOYSA-N 0 0 325.777 2.883 10 5 EFBERN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 ZINC001266631009 1101575021 /nfs/dbraw/zinc/57/50/21/1101575021.db2.gz JJOPWWMWCXOXDK-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001653002176 1101576552 /nfs/dbraw/zinc/57/65/52/1101576552.db2.gz IERNAXJSTCUPHF-INIZCTEOSA-N 0 0 346.412 2.871 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H]2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC001653096453 1101584634 /nfs/dbraw/zinc/58/46/34/1101584634.db2.gz WINKLTVHVAMGIA-CYBMUJFWSA-N 0 0 328.372 2.558 10 5 EFBERN Nc1c(C(=O)N[C@@H]2CCCc3ccccc3C2)cc(F)cc1[N+](=O)[O-] ZINC001653095345 1101585300 /nfs/dbraw/zinc/58/53/00/1101585300.db2.gz FBHXBMSZJBNHEJ-CQSZACIVSA-N 0 0 343.358 2.994 10 5 EFBERN O=C(CN1CCc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)nc1 ZINC001653203975 1101595773 /nfs/dbraw/zinc/59/57/73/1101595773.db2.gz ABPRJYFFVNRVQJ-UHFFFAOYSA-N 0 0 332.747 2.644 10 5 EFBERN Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)c(N)c1[N+](=O)[O-] ZINC001653212594 1101596510 /nfs/dbraw/zinc/59/65/10/1101596510.db2.gz LMFYGYWQSOSRNB-UHFFFAOYSA-N 0 0 341.367 2.992 10 5 EFBERN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)c(N)c1[N+](=O)[O-] ZINC001653215282 1101597230 /nfs/dbraw/zinc/59/72/30/1101597230.db2.gz SWRRKTQWLQZHOQ-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1noc(C)n1 ZINC001653240329 1101600983 /nfs/dbraw/zinc/60/09/83/1101600983.db2.gz LXSUIFNMWFAFIF-CYBMUJFWSA-N 0 0 347.375 2.664 10 5 EFBERN C[S@](=O)(=NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001626302001 1101611431 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Cc1noc([C@@H](C)NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)n1 ZINC001125474586 1101669263 /nfs/dbraw/zinc/66/92/63/1101669263.db2.gz PUXKBDFNPOTUBR-MRVPVSSYSA-N 0 0 341.327 2.513 10 5 EFBERN COC(=O)c1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cnc1C ZINC001654048937 1101675794 /nfs/dbraw/zinc/67/57/94/1101675794.db2.gz XTVHCMRADGBQBS-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN COC(=O)CN(CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001654181120 1101691817 /nfs/dbraw/zinc/69/18/17/1101691817.db2.gz JVHDCNUQICZEQI-UHFFFAOYSA-N 0 0 336.388 2.781 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)c2cncc(Cl)c2)c1 ZINC001654212265 1101692568 /nfs/dbraw/zinc/69/25/68/1101692568.db2.gz IQXRQEZRYTUOPU-UHFFFAOYSA-N 0 0 348.790 2.818 10 5 EFBERN CN(CCNC(=O)c1ccc(C2CC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001654212954 1101694516 /nfs/dbraw/zinc/69/45/16/1101694516.db2.gz XDZKRWYGYRDLBO-UHFFFAOYSA-N 0 0 340.383 2.733 10 5 EFBERN Cc1ccc(F)c(CC(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001654212952 1101695442 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COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](C)Cn3cccn3)c2c1 ZINC001654980395 1101773370 /nfs/dbraw/zinc/77/33/70/1101773370.db2.gz OFOYJUFYXPPDEN-LBPRGKRZSA-N 0 0 341.371 2.518 10 5 EFBERN NC(=O)c1cc(Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])ncn1 ZINC001655024959 1101778730 /nfs/dbraw/zinc/77/87/30/1101778730.db2.gz SSBSVBBNSNFXPM-UHFFFAOYSA-N 0 0 336.307 2.943 10 5 EFBERN Cc1[nH]nc2c1CCCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001655034312 1101778806 /nfs/dbraw/zinc/77/88/06/1101778806.db2.gz BPIDDRQETSAKBY-UHFFFAOYSA-N 0 0 349.778 2.671 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC001655072784 1101784298 /nfs/dbraw/zinc/78/42/98/1101784298.db2.gz ZCQRFWWEYCJHKY-UHFFFAOYSA-N 0 0 331.307 2.777 10 5 EFBERN CC(C)c1noc(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC001655100751 1101785332 /nfs/dbraw/zinc/78/53/32/1101785332.db2.gz ANUWGZMVJDWJAY-UHFFFAOYSA-N 0 0 348.285 2.508 10 5 EFBERN COc1ccc(OCCN2CCc3cc(O)ccc3C2)c([N+](=O)[O-])c1 ZINC001655145189 1101789861 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O=C(NCc1ccc([N+](=O)[O-])cc1)c1ncccc1-c1ccccn1 ZINC001125315965 1101821313 /nfs/dbraw/zinc/82/13/13/1101821313.db2.gz GNDNJZCBSMTZNS-UHFFFAOYSA-N 0 0 334.335 2.982 10 5 EFBERN CCOC(=O)c1cc(NCCc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC001655434866 1101826645 /nfs/dbraw/zinc/82/66/45/1101826645.db2.gz SLZJTJWNTAKQFW-UHFFFAOYSA-N 0 0 330.344 2.525 10 5 EFBERN C[C@](O)(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000070960665 1101827720 /nfs/dbraw/zinc/82/77/20/1101827720.db2.gz NILCBFKUMGGMMC-INIZCTEOSA-N 0 0 334.759 2.886 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001655448357 1101827859 /nfs/dbraw/zinc/82/78/59/1101827859.db2.gz WOTQDWFWRJGOJD-UHFFFAOYSA-N 0 0 345.237 2.867 10 5 EFBERN CCc1ccc(N2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)cc1Cl ZINC001655467592 1101832451 /nfs/dbraw/zinc/83/24/51/1101832451.db2.gz QOBYTBIBLYDFQC-UHFFFAOYSA-N 0 0 349.822 2.871 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C\C(C)C)c([N+](=O)[O-])c1 ZINC000785035029 1101834695 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0 326.259 2.511 10 5 EFBERN Cc1ccc(/C=C\C(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000033529102 1119286837 /nfs/dbraw/zinc/28/68/37/1119286837.db2.gz LOFINBSSGDRZFD-VURMDHGXSA-N 0 0 344.323 3.000 10 5 EFBERN CO[C@H](C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001124996958 1119905140 /nfs/dbraw/zinc/90/51/40/1119905140.db2.gz WOWQDQWYSRPAPB-ZWNOBZJWSA-N 0 0 339.344 2.556 10 5 EFBERN CO[C@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001124996956 1119905160 /nfs/dbraw/zinc/90/51/60/1119905160.db2.gz WOWQDQWYSRPAPB-GXFFZTMASA-N 0 0 339.344 2.556 10 5 EFBERN CCC(=O)N1CCCC[C@H]1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000073091759 1120556123 /nfs/dbraw/zinc/55/61/23/1120556123.db2.gz SSBLOJGTZVHKQA-DOMZBBRYSA-N 0 0 334.372 2.990 10 5 EFBERN CC(C)[C@@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1=O ZINC000073091735 1120556286 /nfs/dbraw/zinc/55/62/86/1120556286.db2.gz IGHRRPKWKDZWIB-LRDDRELGSA-N 0 0 334.372 2.846 10 5 EFBERN CC(C)(/C=C\Cl)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000921500935 1120674094 /nfs/dbraw/zinc/67/40/94/1120674094.db2.gz GEDFAVCUESWTOE-HJWRWDBZSA-N 0 0 332.809 2.588 10 5 EFBERN Cc1c(CN2CCC[C@H]2C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000054992029 214263761 /nfs/dbraw/zinc/26/37/61/214263761.db2.gz WVGJNTUXHAKQAZ-ZDUSSCGKSA-N 0 0 345.321 2.546 10 5 EFBERN O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc([N+](=O)[O-])o1 ZINC000055419966 214323741 /nfs/dbraw/zinc/32/37/41/214323741.db2.gz UXWJOJXECJXWFF-UHFFFAOYSA-N 0 0 342.311 2.716 10 5 EFBERN CN(Cc1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000004684440 210247515 /nfs/dbraw/zinc/24/75/15/210247515.db2.gz UBSLRMIGAQGGIB-UHFFFAOYSA-N 0 0 339.351 2.885 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C\c1c(F)cccc1F ZINC000056219655 214366062 /nfs/dbraw/zinc/36/60/62/214366062.db2.gz NQVGSRQOHYXGQA-WAYWQWQTSA-N 0 0 337.282 2.635 10 5 EFBERN CSC1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CCOCC1 ZINC000174170379 231139404 /nfs/dbraw/zinc/13/94/04/231139404.db2.gz XENHUDCIKBEEHL-UHFFFAOYSA-N 0 0 330.431 2.607 10 5 EFBERN CC[C@H](NC(=O)N(C)CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000176706640 529485269 /nfs/dbraw/zinc/48/52/69/529485269.db2.gz XKEIIEIRZHLGNF-HNNXBMFYSA-N 0 0 331.376 2.584 10 5 EFBERN CSc1cccc(C(=O)N2CCOC[C@@H]2CC(F)F)c1[N+](=O)[O-] ZINC000344948446 295680067 /nfs/dbraw/zinc/68/00/67/295680067.db2.gz SNHDCKGDDBOGTH-VIFPVBQESA-N 0 0 346.355 2.813 10 5 EFBERN CC1(C)C[C@H]1NC(=O)c1cc(C(=O)N[C@@H]2CC2(C)C)cc([N+](=O)[O-])c1 ZINC000359265542 534929885 /nfs/dbraw/zinc/92/98/85/534929885.db2.gz TVWGEONTTFSRFN-ZIAGYGMSSA-N 0 0 345.399 2.651 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@H]1CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000178399314 529609935 /nfs/dbraw/zinc/60/99/35/529609935.db2.gz FMMXOZWAOULYEA-DZGCQCFKSA-N 0 0 349.387 2.783 10 5 EFBERN CCc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000174186639 529596980 /nfs/dbraw/zinc/59/69/80/529596980.db2.gz PEVFLTJMHCNUFQ-HNNXBMFYSA-N 0 0 328.372 2.868 10 5 EFBERN CCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000189868689 529601565 /nfs/dbraw/zinc/60/15/65/529601565.db2.gz OOJLBCPULQDJGP-OFQRWUPVSA-N 0 0 346.383 2.571 10 5 EFBERN COCc1nc(Cc2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cs1 ZINC000347480780 536822398 /nfs/dbraw/zinc/82/23/98/536822398.db2.gz IVUICIWHWTUIMY-UHFFFAOYSA-N 0 0 347.356 2.542 10 5 EFBERN CCc1nc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000175141083 529730786 /nfs/dbraw/zinc/73/07/86/529730786.db2.gz YFVXWMPOIGVVHK-UHFFFAOYSA-N 0 0 344.371 2.668 10 5 EFBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000100456670 219099630 /nfs/dbraw/zinc/09/96/30/219099630.db2.gz QCLNQUMVSNEKKK-UHFFFAOYSA-N 0 0 346.255 2.972 10 5 EFBERN C[C@@]1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCCS1 ZINC000126152373 222660270 /nfs/dbraw/zinc/66/02/70/222660270.db2.gz HQKPDBFTDFWNKW-ZDUSSCGKSA-N 0 0 330.431 2.696 10 5 EFBERN CN(CC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000173509770 282345202 /nfs/dbraw/zinc/34/52/02/282345202.db2.gz UAWRUECEXOBGST-HNNXBMFYSA-N 0 0 329.356 2.988 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000121284128 290773700 /nfs/dbraw/zinc/77/37/00/290773700.db2.gz FGOJKQZYNJLJPJ-QMMMGPOBSA-N 0 0 345.218 2.935 10 5 EFBERN COc1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc1[N+](=O)[O-] ZINC000102153454 219188171 /nfs/dbraw/zinc/18/81/71/219188171.db2.gz IMHMVHDPVZHRHW-UHFFFAOYSA-N 0 0 347.352 2.831 10 5 EFBERN CCOC(=O)C(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000066530777 215051415 /nfs/dbraw/zinc/05/14/15/215051415.db2.gz KCESASHZTWWBMY-UHFFFAOYSA-N 0 0 336.369 2.881 10 5 EFBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000066661083 215064502 /nfs/dbraw/zinc/06/45/02/215064502.db2.gz VJJSODJXQWMUHB-VIFPVBQESA-N 0 0 340.343 2.891 10 5 EFBERN C[C@@H](C1CC1)n1nccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000066660717 215065516 /nfs/dbraw/zinc/06/55/16/215065516.db2.gz HPSPHSSILSELJX-NSHDSACASA-N 0 0 329.360 2.813 10 5 EFBERN CCC[C@](C)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC ZINC000102637180 219216493 /nfs/dbraw/zinc/21/64/93/219216493.db2.gz KHODKPZFTQTYMC-INIZCTEOSA-N 0 0 333.344 2.538 10 5 EFBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccc(F)cc1 ZINC000003414944 210032973 /nfs/dbraw/zinc/03/29/73/210032973.db2.gz NDYBDJVUZAHGDP-BJMVGYQFSA-N 0 0 344.298 2.929 10 5 EFBERN CC(C)Oc1cc(S(=O)(=O)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000003326655 210007750 /nfs/dbraw/zinc/00/77/50/210007750.db2.gz DNQUCCNNKLSPSR-UHFFFAOYSA-N 0 0 328.390 2.557 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000003284507 209998379 /nfs/dbraw/zinc/99/83/79/209998379.db2.gz GLUUAJCCCOJWGB-UHFFFAOYSA-N 0 0 346.251 2.759 10 5 EFBERN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1nc2ccccc2s1 ZINC000003232732 209983262 /nfs/dbraw/zinc/98/32/62/209983262.db2.gz YMPQFKRHAIWZFT-UHFFFAOYSA-N 0 0 347.308 2.593 10 5 EFBERN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000003174390 209973931 /nfs/dbraw/zinc/97/39/31/209973931.db2.gz LABHUOOIADUISN-UHFFFAOYSA-N 0 0 347.758 2.959 10 5 EFBERN CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000153790698 282601843 /nfs/dbraw/zinc/60/18/43/282601843.db2.gz LZDOGKPFZPTUIW-ZDUSSCGKSA-N 0 0 346.774 2.885 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1N[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000103225211 219272555 /nfs/dbraw/zinc/27/25/55/219272555.db2.gz WZIGCLROARWJSK-HNNXBMFYSA-N 0 0 343.314 2.786 10 5 EFBERN C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000179493586 233094419 /nfs/dbraw/zinc/09/44/19/233094419.db2.gz FFYWTYUGIRHYKN-LLVKDONJSA-N 0 0 340.426 2.879 10 5 EFBERN CCc1nc([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)no1 ZINC000067888494 215241858 /nfs/dbraw/zinc/24/18/58/215241858.db2.gz MKZXQBOYBHKGRD-NSHDSACASA-N 0 0 330.344 2.560 10 5 EFBERN COCCN(Cc1ccco1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067971536 215263946 /nfs/dbraw/zinc/26/39/46/215263946.db2.gz OWOXMFPVNMQFOC-UHFFFAOYSA-N 0 0 340.282 2.755 10 5 EFBERN CC(C)N(Cc1cnn(C)c1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067988371 215267802 /nfs/dbraw/zinc/26/78/02/215267802.db2.gz AZWXYPQPXHBJNR-UHFFFAOYSA-N 0 0 338.314 2.657 10 5 EFBERN Cc1nc2sccn2c1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002654115 209885662 /nfs/dbraw/zinc/88/56/62/209885662.db2.gz XCFUUOBARWOXOO-UHFFFAOYSA-N 0 0 346.393 2.718 10 5 EFBERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194014758 295806192 /nfs/dbraw/zinc/80/61/92/295806192.db2.gz KSYHKNFKQXFWBS-JTQLQIEISA-N 0 0 339.348 2.665 10 5 EFBERN C[C@H](NC(=O)N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000458629092 299168560 /nfs/dbraw/zinc/16/85/60/299168560.db2.gz XZNPYVACGDYZKU-XNJJOIOASA-N 0 0 347.415 2.752 10 5 EFBERN Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)c2cccc(F)c21 ZINC000041056444 213411360 /nfs/dbraw/zinc/41/13/60/213411360.db2.gz UWWVKMLORRWFPG-UHFFFAOYSA-N 0 0 341.298 2.838 10 5 EFBERN COC(=O)CCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000068778273 215332656 /nfs/dbraw/zinc/33/26/56/215332656.db2.gz MDLVYEOXTPUPTM-UHFFFAOYSA-N 0 0 328.752 2.711 10 5 EFBERN Cc1cc(C)n(-c2ncnc(NCc3ccc(F)cc3)c2[N+](=O)[O-])n1 ZINC000040661015 213365449 /nfs/dbraw/zinc/36/54/49/213365449.db2.gz KRDKDKGCFLVFBF-UHFFFAOYSA-N 0 0 342.334 2.939 10 5 EFBERN CCN(CCO)c1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000040614047 213358426 /nfs/dbraw/zinc/35/84/26/213358426.db2.gz HTYJJSRCTUWZAQ-UHFFFAOYSA-N 0 0 335.408 2.506 10 5 EFBERN CC(C)(C)NN=c1nc[nH]c(NCCc2ccccc2)c1[N+](=O)[O-] ZINC000040610306 213358553 /nfs/dbraw/zinc/35/85/53/213358553.db2.gz CHQHAYATXCWZPY-UHFFFAOYSA-N 0 0 330.392 2.754 10 5 EFBERN COCCCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000040586117 213355099 /nfs/dbraw/zinc/35/50/99/213355099.db2.gz FSILMEUGCBNKFB-UHFFFAOYSA-N 0 0 329.360 2.527 10 5 EFBERN COc1ccc(Cl)cc1Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040589880 213354763 /nfs/dbraw/zinc/35/47/63/213354763.db2.gz NXEHOJYSYRQZKI-UHFFFAOYSA-N 0 0 346.734 2.976 10 5 EFBERN CCN(CC)c1ncnc(Nc2cc(OC)ccc2OC)c1[N+](=O)[O-] ZINC000040607963 213357425 /nfs/dbraw/zinc/35/74/25/213357425.db2.gz ZSVRPOZPIAGKOM-UHFFFAOYSA-N 0 0 347.375 2.992 10 5 EFBERN O=[N+]([O-])c1c(NC2CCCCC2)ncnc1-n1nnc2ccccc21 ZINC000040598481 213356086 /nfs/dbraw/zinc/35/60/86/213356086.db2.gz ASNOXDLRWNOVTD-UHFFFAOYSA-N 0 0 339.359 2.863 10 5 EFBERN COC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181681289 234283266 /nfs/dbraw/zinc/28/32/66/234283266.db2.gz DUDKKIYEOHFTNL-QGZVFWFLSA-N 0 0 343.383 2.535 10 5 EFBERN Cc1sc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1[N+](=O)[O-] ZINC000181712700 234296314 /nfs/dbraw/zinc/29/63/14/234296314.db2.gz GGSBFURNJWTFAB-LLVKDONJSA-N 0 0 340.401 2.770 10 5 EFBERN O=C(NC[C@H]1COC2(CCCCCC2)O1)c1csc([N+](=O)[O-])c1 ZINC000181911122 234376551 /nfs/dbraw/zinc/37/65/51/234376551.db2.gz DHDFFLPKZQORAK-LBPRGKRZSA-N 0 0 340.401 2.852 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cnn(CCC(F)(F)F)c1 ZINC000182160011 234476619 /nfs/dbraw/zinc/47/66/19/234476619.db2.gz 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C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000067096 209398327 /nfs/dbraw/zinc/39/83/27/209398327.db2.gz LEKJMNNPWNFPBA-NSHDSACASA-N 0 0 325.324 2.972 10 5 EFBERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000190087752 238206182 /nfs/dbraw/zinc/20/61/82/238206182.db2.gz QNEGHRFHOIRIMA-CABZTGNLSA-N 0 0 340.286 2.531 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1=O ZINC000193929685 240366704 /nfs/dbraw/zinc/36/67/04/240366704.db2.gz IVMDYMCEKKAOAJ-MRVPVSSYSA-N 0 0 330.262 2.665 10 5 EFBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1=O ZINC000193929697 240366946 /nfs/dbraw/zinc/36/69/46/240366946.db2.gz IVMDYMCEKKAOAJ-QMMMGPOBSA-N 0 0 330.262 2.665 10 5 EFBERN CCCn1ccc2c(cnc3ccn(-c4ccccn4)c(=O)c32)c1=O ZINC000072452811 216239737 /nfs/dbraw/zinc/23/97/37/216239737.db2.gz JWSXVZONWIMNIQ-UHFFFAOYSA-N 0 0 332.363 2.506 10 5 EFBERN Cc1ccc(C(=O)NCCNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000129767086 223089769 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CCCCOC[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000193368870 240102539 /nfs/dbraw/zinc/10/25/39/240102539.db2.gz OVPAUJZSYZNRCN-MRXNPFEDSA-N 0 0 326.396 2.727 10 5 EFBERN O=C(Nc1ccc2cc[nH]c2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000194845393 240181735 /nfs/dbraw/zinc/18/17/35/240181735.db2.gz DZLBBZQHQMJHPD-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN O=C(Nc1ccc2cc[nH]c2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000194831041 240181970 /nfs/dbraw/zinc/18/19/70/240181970.db2.gz TXRROTDHFANQIJ-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CN(Cc1cn(C)nc1C(F)(F)F)c1cc(N)ccc1[N+](=O)[O-] ZINC000193484721 240182088 /nfs/dbraw/zinc/18/20/88/240182088.db2.gz ACELJIIWARDEHL-UHFFFAOYSA-N 0 0 329.282 2.566 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]1O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278050720 240795054 /nfs/dbraw/zinc/79/50/54/240795054.db2.gz DBNCRDHGFZIHRI-YVEFUNNKSA-N 0 0 336.391 2.984 10 5 EFBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)CCCCOC ZINC000195475143 240967550 /nfs/dbraw/zinc/96/75/50/240967550.db2.gz FLILKPFBEGXRJK-UHFFFAOYSA-N 0 0 330.406 2.568 10 5 EFBERN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2cccnc21 ZINC000022061672 212274423 /nfs/dbraw/zinc/27/44/23/212274423.db2.gz DRKRQJIZXXWJAQ-INIZCTEOSA-N 0 0 337.335 2.606 10 5 EFBERN O=C(NC[C@@H]1CSCCS1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000132812282 223364614 /nfs/dbraw/zinc/36/46/14/223364614.db2.gz GSKVJNQYGGMBQD-SNVBAGLBSA-N 0 0 337.426 2.655 10 5 EFBERN CN(Cc1cc[nH]n1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000351611868 241905766 /nfs/dbraw/zinc/90/57/66/241905766.db2.gz JVSIMUXWUNNEMP-UHFFFAOYSA-N 0 0 346.390 2.536 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCO[C@H]4CCCC[C@H]43)n2)c1 ZINC000230198299 242248050 /nfs/dbraw/zinc/24/80/50/242248050.db2.gz BJLCAZZXSGCWOB-CABCVRRESA-N 0 0 344.371 2.788 10 5 EFBERN COc1cccc(C(=O)N2CC3CC2(C(F)(F)F)C3)c1[N+](=O)[O-] ZINC000411109454 242712006 /nfs/dbraw/zinc/71/20/06/242712006.db2.gz BERKVICUWPKUSB-UHFFFAOYSA-N 0 0 330.262 2.770 10 5 EFBERN Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000021125984 212210005 /nfs/dbraw/zinc/21/00/05/212210005.db2.gz XHZNKLCREDUOBE-UHFFFAOYSA-N 0 0 331.284 2.829 10 5 EFBERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021092034 212206093 /nfs/dbraw/zinc/20/60/93/212206093.db2.gz LTCJUEOWDNABHS-INIZCTEOSA-N 0 0 329.287 2.973 10 5 EFBERN O=C(N[C@@H]1CCCOc2c3ccccc3ccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000225412315 284030047 /nfs/dbraw/zinc/03/00/47/284030047.db2.gz PMSAOCVUKADPJK-BZUAXINKSA-N 0 0 326.352 2.835 10 5 EFBERN COCCNc1ccc(-c2noc(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000020894382 212183740 /nfs/dbraw/zinc/18/37/40/212183740.db2.gz TYJIJTSUPAMCDH-UHFFFAOYSA-N 0 0 341.327 2.765 10 5 EFBERN CC[C@H](CC(F)F)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000411995105 243061689 /nfs/dbraw/zinc/06/16/89/243061689.db2.gz CANHSYCQZCYSCW-MRVPVSSYSA-N 0 0 339.302 3.000 10 5 EFBERN CC[C@@H](CC(F)F)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000411995113 243063708 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2.879 10 5 EFBERN CO[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC[C@H]1C ZINC000412276734 243242400 /nfs/dbraw/zinc/24/24/00/243242400.db2.gz MGFLPYHRCCUUJE-WBMJQRKESA-N 0 0 336.388 2.879 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cc[nH]n1 ZINC000412290722 243248842 /nfs/dbraw/zinc/24/88/42/243248842.db2.gz PQQBSLBVWNZADC-LZWOXQAQSA-N 0 0 326.356 2.785 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000412290723 243249203 /nfs/dbraw/zinc/24/92/03/243249203.db2.gz PQQBSLBVWNZADC-SQWLQELKSA-N 0 0 326.356 2.785 10 5 EFBERN O=C(Nc1nnc(C2CCC2)[nH]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412241608 243224082 /nfs/dbraw/zinc/22/40/82/243224082.db2.gz BHODKLCJUQHHLJ-QWHCGFSZSA-N 0 0 327.344 2.723 10 5 EFBERN Cc1ccsc1[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412243744 243225290 /nfs/dbraw/zinc/22/52/90/243225290.db2.gz OHKGLEXYABMUPE-ZNMIVQPWSA-N 0 0 346.408 2.918 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCO[C@H](C2CCC2)C1 ZINC000412441707 243315108 /nfs/dbraw/zinc/31/51/08/243315108.db2.gz GEOFUHNWZSFFRD-AWEZNQCLSA-N 0 0 336.413 2.714 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@H](C2CCC2)C1 ZINC000412442937 243316315 /nfs/dbraw/zinc/31/63/15/243316315.db2.gz HMWBIHAVCGSGJR-INIZCTEOSA-N 0 0 329.356 2.717 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@H](C2CCC2)C1 ZINC000412450871 243319560 /nfs/dbraw/zinc/31/95/60/243319560.db2.gz VZOIVNJJVGYEDS-INIZCTEOSA-N 0 0 329.356 2.717 10 5 EFBERN CSc1cccc(C(=O)N2CCO[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000412454775 243324461 /nfs/dbraw/zinc/32/44/61/243324461.db2.gz GMYKUDMGZALSAD-CYBMUJFWSA-N 0 0 336.413 2.958 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC2(C1)CCCCC2 ZINC000076510086 216782533 /nfs/dbraw/zinc/78/25/33/216782533.db2.gz BEDIOQKTHILSMU-UHFFFAOYSA-N 0 0 331.372 2.716 10 5 EFBERN Cc1cnn(C[C@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000247021449 243352481 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ZINC000172002688 284241145 /nfs/dbraw/zinc/24/11/45/284241145.db2.gz SRMKNCSBBQSJOT-AWEZNQCLSA-N 0 0 343.390 2.724 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]2COCC[C@@H]21 ZINC000408223582 296164791 /nfs/dbraw/zinc/16/47/91/296164791.db2.gz UQWHMPVUDBUFFX-BZNIZROVSA-N 0 0 329.356 2.717 10 5 EFBERN C[C@@]1(O)C[C@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000418984017 245322459 /nfs/dbraw/zinc/32/24/59/245322459.db2.gz DRZDWZBKOIMSTE-DKTWLAJQSA-N 0 0 348.140 2.525 10 5 EFBERN Cc1ncccc1OC[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000419017513 245331941 /nfs/dbraw/zinc/33/19/41/245331941.db2.gz AYNGFYHRRDBDBC-GFCCVEGCSA-N 0 0 332.335 2.880 10 5 EFBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178324722 296168045 /nfs/dbraw/zinc/16/80/45/296168045.db2.gz LFSUCQVTSYGTGE-RYUDHWBXSA-N 0 0 341.367 2.699 10 5 EFBERN CCN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000358824488 284256433 /nfs/dbraw/zinc/25/64/33/284256433.db2.gz WQRPROGATHQKCB-KGLIPLIRSA-N 0 0 349.431 2.674 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110447272 220037066 /nfs/dbraw/zinc/03/70/66/220037066.db2.gz AKXUJODOVWZWLO-YOEHRIQHSA-N 0 0 326.352 2.894 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000110481243 220038621 /nfs/dbraw/zinc/03/86/21/220038621.db2.gz HJSRXVMFHBNDCD-ZDUSSCGKSA-N 0 0 348.790 2.851 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nnc2n1CCC2 ZINC000078389592 217045449 /nfs/dbraw/zinc/04/54/49/217045449.db2.gz SZQHDHANSSHHER-UHFFFAOYSA-N 0 0 341.293 2.806 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC2(C1)Oc1ccccc1O2 ZINC000377506589 296181747 /nfs/dbraw/zinc/18/17/47/296181747.db2.gz CNWISLGTRIKEQL-UHFFFAOYSA-N 0 0 344.298 2.748 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)S(=O)(=O)CC2 ZINC000419752782 245471361 /nfs/dbraw/zinc/47/13/61/245471361.db2.gz AUEBYVXRKOCZLI-UHFFFAOYSA-N 0 0 332.381 2.845 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1C[C@@H]2C[C@H]1CS2 ZINC000411109064 296186906 /nfs/dbraw/zinc/18/69/06/296186906.db2.gz AAMTWJSJADGITC-IUCAKERBSA-N 0 0 332.303 2.944 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000110876572 220073684 /nfs/dbraw/zinc/07/36/84/220073684.db2.gz QYEAVJHOAQKJQW-BOTMBNHJSA-N 0 0 345.380 2.665 10 5 EFBERN Cc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000110886485 220076027 /nfs/dbraw/zinc/07/60/27/220076027.db2.gz UVEOFKAHZJHRLN-CYBMUJFWSA-N 0 0 333.369 2.573 10 5 EFBERN COCCn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000079661250 217246453 /nfs/dbraw/zinc/24/64/53/217246453.db2.gz FZLXCOMAMSDSQX-UHFFFAOYSA-N 0 0 332.360 2.615 10 5 EFBERN C[C@@H](C1CC1)n1nccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079944615 217266142 /nfs/dbraw/zinc/26/61/42/217266142.db2.gz JZVGJOFPPNEXHO-LBPRGKRZSA-N 0 0 343.387 2.837 10 5 EFBERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000111426450 220153839 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CC(C)Oc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)nc1 ZINC000435652238 249395414 /nfs/dbraw/zinc/39/54/14/249395414.db2.gz ANCFAUDNYKJMPY-UHFFFAOYSA-N 0 0 327.340 2.980 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000435600840 249383029 /nfs/dbraw/zinc/38/30/29/249383029.db2.gz GSCUWYZMBFHHOS-MNOVXSKESA-N 0 0 330.344 2.682 10 5 EFBERN O=[N+]([O-])c1c(Sc2n[nH]c(-c3ccncc3)n2)nc2ccccn21 ZINC000012579315 211415062 /nfs/dbraw/zinc/41/50/62/211415062.db2.gz OETYNOQLXJYSHM-UHFFFAOYSA-N 0 0 339.340 2.574 10 5 EFBERN CC[C@H](NC(=O)N(C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000090684895 217948604 /nfs/dbraw/zinc/94/86/04/217948604.db2.gz ISEJNSIHKGKGRV-HNNXBMFYSA-N 0 0 329.360 2.678 10 5 EFBERN CC[C@H](NC(=O)N(C)CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090686323 217948804 /nfs/dbraw/zinc/94/88/04/217948804.db2.gz FDHIVHYBTISQIH-HNNXBMFYSA-N 0 0 335.404 2.992 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@H](C)O)C(C)C ZINC000439915041 249874391 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COC(=O)[C@@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000094094521 218264773 /nfs/dbraw/zinc/26/47/73/218264773.db2.gz UWDFCKHKGJUDKI-CYBMUJFWSA-N 0 0 334.372 2.545 10 5 EFBERN C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[C@@H]1O ZINC000445206954 250395117 /nfs/dbraw/zinc/39/51/17/250395117.db2.gz AFRNREPDCMASMX-SJCJKPOMSA-N 0 0 336.391 2.524 10 5 EFBERN CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000009218086 211053397 /nfs/dbraw/zinc/05/33/97/211053397.db2.gz TWURUJKFYIWHBQ-NSHDSACASA-N 0 0 331.328 2.521 10 5 EFBERN CCCOc1ccc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009154555 211046136 /nfs/dbraw/zinc/04/61/36/211046136.db2.gz KPVBMIAMROOHRN-QGZVFWFLSA-N 0 0 344.367 2.847 10 5 EFBERN CC[C@@H](OC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 ZINC000009112763 211041933 /nfs/dbraw/zinc/04/19/33/211041933.db2.gz LKIWSLWZBAIETB-GFCCVEGCSA-N 0 0 347.327 2.774 10 5 EFBERN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000095364869 218298182 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COc1cc(NCc2ccc(-n3cccn3)nc2)ccc1[N+](=O)[O-] ZINC000095403047 218337863 /nfs/dbraw/zinc/33/78/63/218337863.db2.gz KWLLFXZANFEARM-UHFFFAOYSA-N 0 0 325.328 2.796 10 5 EFBERN CCc1ccc(NC(=O)NC[C@@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000095403809 218338238 /nfs/dbraw/zinc/33/82/38/218338238.db2.gz VTZUZIRVJZHJNS-MRXNPFEDSA-N 0 0 333.344 2.779 10 5 EFBERN COc1ccc(CN(C)C(=O)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000095405826 218341321 /nfs/dbraw/zinc/34/13/21/218341321.db2.gz UAEMEVCLNBYKBS-UHFFFAOYSA-N 0 0 340.339 2.752 10 5 EFBERN CCc1nnc(Sc2ncc(Br)cc2[N+](=O)[O-])n1C ZINC000095416515 218354870 /nfs/dbraw/zinc/35/48/70/218354870.db2.gz LNNMOXVNLNBWFI-UHFFFAOYSA-N 0 0 344.194 2.594 10 5 EFBERN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccco2)cc([N+](=O)[O-])c1 ZINC000008360246 210941509 /nfs/dbraw/zinc/94/15/09/210941509.db2.gz VMEUGBFONJETLR-JTQLQIEISA-N 0 0 332.312 2.856 10 5 EFBERN CNC(=O)c1ccc(N2CC=C(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000095455231 218398474 /nfs/dbraw/zinc/39/84/74/218398474.db2.gz 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5 EFBERN CSc1cccc(C(=O)N2CCC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000456690521 255655601 /nfs/dbraw/zinc/65/56/01/255655601.db2.gz JLFPYWBIDBULMU-MRXNPFEDSA-N 0 0 336.413 2.959 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]1O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000456843264 255663085 /nfs/dbraw/zinc/66/30/85/255663085.db2.gz OLBJUUPBEWSRBQ-DZGCQCFKSA-N 0 0 341.367 2.548 10 5 EFBERN Cc1c(C(=O)N2CCN[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000456998523 255670423 /nfs/dbraw/zinc/67/04/23/255670423.db2.gz RQQWERPLLYNSKN-MRXNPFEDSA-N 0 0 325.368 2.690 10 5 EFBERN COC[C@@H]1CCCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000457035962 255672770 /nfs/dbraw/zinc/67/27/70/255672770.db2.gz KLSFNGHRNOAYJV-LLVKDONJSA-N 0 0 340.351 2.631 10 5 EFBERN COC[C@H]1CCCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000457048347 255673238 /nfs/dbraw/zinc/67/32/38/255673238.db2.gz UDBXPVUDVIJZNT-ZDUSSCGKSA-N 0 0 338.429 2.962 10 5 EFBERN C[C@@H](CC(F)(F)F)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000457446701 255694732 /nfs/dbraw/zinc/69/47/32/255694732.db2.gz VTVRBSMUSQAXJH-NSHDSACASA-N 0 0 345.321 2.832 10 5 EFBERN C=Cc1ccc(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000461868834 255963345 /nfs/dbraw/zinc/96/33/45/255963345.db2.gz BOPGZVDSJWDJFH-UHFFFAOYSA-N 0 0 336.351 2.963 10 5 EFBERN C[C@@H](c1cccnc1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000118836865 221191576 /nfs/dbraw/zinc/19/15/76/221191576.db2.gz LMOLRPRCRKLQGM-ZDUSSCGKSA-N 0 0 332.429 2.930 10 5 EFBERN Cc1cn2c(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)csc2n1 ZINC000012534995 258054662 /nfs/dbraw/zinc/05/46/62/258054662.db2.gz WQBOIGOUSBXNGI-UHFFFAOYSA-N 0 0 334.332 2.933 10 5 EFBERN Cc1cc(C(=O)N(C)Cc2ncc(C3CC3)o2)c(N)c([N+](=O)[O-])c1 ZINC000089568915 258066069 /nfs/dbraw/zinc/06/60/69/258066069.db2.gz VYUODEPWTFYLFM-UHFFFAOYSA-N 0 0 330.344 2.623 10 5 EFBERN COCc1csc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000174387119 533266123 /nfs/dbraw/zinc/26/61/23/533266123.db2.gz OISPUPCTWKMMEJ-UHFFFAOYSA-N 0 0 336.373 2.862 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCCO1 ZINC000159049140 533298609 /nfs/dbraw/zinc/29/86/09/533298609.db2.gz JEXINTBYZGOZNV-LDYMZIIASA-N 0 0 343.177 2.655 10 5 EFBERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190144260 533302002 /nfs/dbraw/zinc/30/20/02/533302002.db2.gz AUENETOVFJESFN-DZGCQCFKSA-N 0 0 332.360 2.557 10 5 EFBERN COc1ccc(C(=O)NC[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000190456222 533333893 /nfs/dbraw/zinc/33/38/93/533333893.db2.gz GVRCKXNNDUBWOG-KRWDZBQOSA-N 0 0 336.388 2.665 10 5 EFBERN COc1cccc(N2CCO[C@@H](c3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC000185309532 533579372 /nfs/dbraw/zinc/57/93/72/533579372.db2.gz ZVPMQIJXADCOHV-CYBMUJFWSA-N 0 0 335.385 2.946 10 5 EFBERN C[C@@H]1CCCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178651275 533599686 /nfs/dbraw/zinc/59/96/86/533599686.db2.gz NQEKAHDGLNRKGD-OCCSQVGLSA-N 0 0 326.418 2.841 10 5 EFBERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000178571635 533610476 /nfs/dbraw/zinc/61/04/76/533610476.db2.gz ISMCCIBBDAKEMO-JCKWVBRZSA-N 0 0 347.415 2.992 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000360133272 292017351 /nfs/dbraw/zinc/01/73/51/292017351.db2.gz IXXVZENWDGNZLP-UONOGXRCSA-N 0 0 334.372 2.634 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCOc3cccc(F)c3C2)c1 ZINC000337838613 292017634 /nfs/dbraw/zinc/01/76/34/292017634.db2.gz YIRWIAAFHDAEQU-UHFFFAOYSA-N 0 0 346.314 2.920 10 5 EFBERN CC(C)c1onc(C(=O)N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000004884883 135667428 /nfs/dbraw/zinc/66/74/28/135667428.db2.gz DRANDHMUKAJVIP-UHFFFAOYSA-N 0 0 344.371 2.669 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(CO)c(Cl)c1 ZINC000354159191 146646785 /nfs/dbraw/zinc/64/67/85/146646785.db2.gz TZFJMDQAMZPKOS-UHFFFAOYSA-N 0 0 336.731 2.758 10 5 EFBERN O=C(N[C@@H](CO)c1ccsc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000354248051 146669644 /nfs/dbraw/zinc/66/96/44/146669644.db2.gz PMVVXZVAWWHSIB-NSHDSACASA-N 0 0 326.761 2.773 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000182810712 141376559 /nfs/dbraw/zinc/37/65/59/141376559.db2.gz NFMQKKXMUQADJI-ZBEGNZNMSA-N 0 0 326.356 2.917 10 5 EFBERN O=C(NCC[C@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337262052 141560578 /nfs/dbraw/zinc/56/05/78/141560578.db2.gz YJYCXMAFMVZRFA-VIFPVBQESA-N 0 0 341.673 2.683 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2cc(OC)cc(OC)c2C)c1[N+](=O)[O-] ZINC000337502486 141604100 /nfs/dbraw/zinc/60/41/00/141604100.db2.gz DURJUBBEEWKTBQ-UHFFFAOYSA-N 0 0 348.359 2.848 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000338677479 141661076 /nfs/dbraw/zinc/66/10/76/141661076.db2.gz AYFTUVRMNJYFRM-KRWDZBQOSA-N 0 0 330.340 2.887 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ncn(-c2ccccc2)n1 ZINC000338820440 141681381 /nfs/dbraw/zinc/68/13/81/141681381.db2.gz CCELDWPXZXJXNZ-UHFFFAOYSA-N 0 0 346.350 2.758 10 5 EFBERN Cc1ncc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000341532438 141826307 /nfs/dbraw/zinc/82/63/07/141826307.db2.gz ROOYEWSLBWAKAY-UHFFFAOYSA-N 0 0 328.328 2.588 10 5 EFBERN C[C@H]1CCCN(c2ccc(C(=O)NCC(=O)C3CC3)cc2[N+](=O)[O-])C1 ZINC000341568103 141832344 /nfs/dbraw/zinc/83/23/44/141832344.db2.gz UCAPEOMYBISZMM-LBPRGKRZSA-N 0 0 345.399 2.540 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)CCCCNC(N)=O)cc1[N+](=O)[O-] ZINC000341721714 141855919 /nfs/dbraw/zinc/85/59/19/141855919.db2.gz MVCGMNYQAYYZAV-UHFFFAOYSA-N 0 0 336.392 2.669 10 5 EFBERN Cc1cccc(C(=O)Nc2ccc3c(c2F)CCNC3=O)c1[N+](=O)[O-] ZINC000341828119 141873987 /nfs/dbraw/zinc/87/39/87/141873987.db2.gz UKYMTSVEQVVVRH-UHFFFAOYSA-N 0 0 343.314 2.581 10 5 EFBERN Cc1cc(N[C@H](C)C2(S(C)(=O)=O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000343341881 141977261 /nfs/dbraw/zinc/97/72/61/141977261.db2.gz KZPYOLNMLGWYQG-LLVKDONJSA-N 0 0 349.412 2.829 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCOC[C@H]1CC(F)F ZINC000343506627 142009604 /nfs/dbraw/zinc/00/96/04/142009604.db2.gz ZCPNFGNSEPJFIP-SNVBAGLBSA-N 0 0 346.355 2.570 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000344451319 142018963 /nfs/dbraw/zinc/01/89/63/142018963.db2.gz AXDZSRAGAKEZQW-UHFFFAOYSA-N 0 0 340.379 2.912 10 5 EFBERN CC[C@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000344478604 142024406 /nfs/dbraw/zinc/02/44/06/142024406.db2.gz LKBCWSMYPCDHGG-NSHDSACASA-N 0 0 335.282 2.744 10 5 EFBERN Cc1nn(CCC(=O)Nc2nc3cc(C)ccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000344487111 142026319 /nfs/dbraw/zinc/02/63/19/142026319.db2.gz UNUSMQBEWWVDML-UHFFFAOYSA-N 0 0 342.359 2.622 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCCOC1 ZINC000344490199 142026783 /nfs/dbraw/zinc/02/67/83/142026783.db2.gz QBAWSHBZPUDIQX-VIFPVBQESA-N 0 0 344.165 2.658 10 5 EFBERN C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000344630628 142052035 /nfs/dbraw/zinc/05/20/35/142052035.db2.gz WQQBSIHZFCJOME-INIZCTEOSA-N 0 0 344.415 2.926 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccc(F)c3)cs2)n1 ZINC000344642369 142054056 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Nc1c(C(=O)N[C@H]2CCCOc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000344922025 142098161 /nfs/dbraw/zinc/09/81/61/142098161.db2.gz FSQPKYFAMKVCTM-ZDUSSCGKSA-N 0 0 345.330 2.960 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCCC2 ZINC000344953942 142102558 /nfs/dbraw/zinc/10/25/58/142102558.db2.gz VEALLWWKKLXUCP-UHFFFAOYSA-N 0 0 327.340 2.970 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(COC)cc3)no2)n1 ZINC000346082023 142144714 /nfs/dbraw/zinc/14/47/14/142144714.db2.gz SUXZQIXYUMTDFC-UHFFFAOYSA-N 0 0 329.316 2.675 10 5 EFBERN COC(=O)c1cc(NC(=O)CCc2ccccc2O)cc([N+](=O)[O-])c1 ZINC000346289097 142184002 /nfs/dbraw/zinc/18/40/02/142184002.db2.gz RVJMSGGKYZKPKV-UHFFFAOYSA-N 0 0 344.323 2.658 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2ccc(Cn3cncn3)cc2)c(Cl)c1 ZINC000346363600 142195193 /nfs/dbraw/zinc/19/51/93/142195193.db2.gz FZKQTJTUUZJAKR-UHFFFAOYSA-N 0 0 344.762 2.895 10 5 EFBERN CN(C)C(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000346396184 142198706 /nfs/dbraw/zinc/19/87/06/142198706.db2.gz CXSKLPZUBDFUHD-UHFFFAOYSA-N 0 0 334.763 2.957 10 5 EFBERN Cc1nn(C)c(C(=O)Nc2cnn(CC(C)C)c2C(C)C)c1[N+](=O)[O-] ZINC000347488348 142225061 /nfs/dbraw/zinc/22/50/61/142225061.db2.gz RALVLOMHBXUXTM-UHFFFAOYSA-N 0 0 348.407 2.865 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347509552 142228244 /nfs/dbraw/zinc/22/82/44/142228244.db2.gz VSDLJDBVHQAXDM-LBPRGKRZSA-N 0 0 344.371 2.601 10 5 EFBERN O=C(NCC1(CCO)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000347560603 142236151 /nfs/dbraw/zinc/23/61/51/142236151.db2.gz BJOLDGVADZYZGE-UHFFFAOYSA-N 0 0 332.278 2.506 10 5 EFBERN Cn1c(=O)ccc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000347601192 142243029 /nfs/dbraw/zinc/24/30/29/142243029.db2.gz VKRCFGVBRLIZCM-UHFFFAOYSA-N 0 0 329.337 2.761 10 5 EFBERN Cn1c(=O)ccc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc21 ZINC000347691328 142257321 /nfs/dbraw/zinc/25/73/21/142257321.db2.gz NWFWNKRNEFLFEZ-UHFFFAOYSA-N 0 0 341.298 2.838 10 5 EFBERN CCc1nc(C)c(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)o1 ZINC000347736469 142264263 /nfs/dbraw/zinc/26/42/63/142264263.db2.gz SOSXCPYLCVXZOO-UHFFFAOYSA-N 0 0 339.298 2.591 10 5 EFBERN CCOCCOc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000347770655 142269021 /nfs/dbraw/zinc/26/90/21/142269021.db2.gz KHYKYIYTEWFCDQ-UHFFFAOYSA-N 0 0 344.367 2.940 10 5 EFBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cnn(-c3ccccc3)c1)CC2 ZINC000347778104 142270853 /nfs/dbraw/zinc/27/08/53/142270853.db2.gz CEBVDHBGNDHSQJ-UHFFFAOYSA-N 0 0 335.367 2.734 10 5 EFBERN COC(=O)c1oc([C@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1C ZINC000347790156 142272435 /nfs/dbraw/zinc/27/24/35/142272435.db2.gz SOOGDWRZOBZAQC-NSHDSACASA-N 0 0 345.355 2.797 10 5 EFBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000347859739 142283201 /nfs/dbraw/zinc/28/32/01/142283201.db2.gz XDDJNEARKPKJBY-UWVGGRQHSA-N 0 0 332.278 2.773 10 5 EFBERN CN(CCCOc1ccc(F)cc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347863329 142283901 /nfs/dbraw/zinc/28/39/01/142283901.db2.gz CEXSKILZRNCYEU-UHFFFAOYSA-N 0 0 345.334 2.682 10 5 EFBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000347872862 142285267 /nfs/dbraw/zinc/28/52/67/142285267.db2.gz JIECHRYHFPSBCQ-SKDRFNHKSA-N 0 0 332.278 2.773 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3csc4ccccc34)nn21 ZINC000347902455 142289686 /nfs/dbraw/zinc/28/96/86/142289686.db2.gz PMTJSYCGUVRFSQ-UHFFFAOYSA-N 0 0 325.353 2.886 10 5 EFBERN Cc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC000347966918 142301141 /nfs/dbraw/zinc/30/11/41/142301141.db2.gz SHWDXAIZCRXOCN-UHFFFAOYSA-N 0 0 334.763 2.628 10 5 EFBERN Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc(C)n1 ZINC000347992882 142305147 /nfs/dbraw/zinc/30/51/47/142305147.db2.gz MOARKCBWOYKPGD-UHFFFAOYSA-N 0 0 326.356 2.806 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nccn2c1C ZINC000349323651 142320784 /nfs/dbraw/zinc/32/07/84/142320784.db2.gz FPAORDYFUCNMFV-UHFFFAOYSA-N 0 0 332.341 2.873 10 5 EFBERN O=C([C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000349350183 142323361 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O=C(COc1c(Cl)cncc1[N+](=O)[O-])Nc1ccccc1F ZINC000349950027 142382006 /nfs/dbraw/zinc/38/20/06/142382006.db2.gz VDVHFLGZYHANCU-UHFFFAOYSA-N 0 0 325.683 2.800 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1nc(-c2cccnc2)no1 ZINC000349974896 142386264 /nfs/dbraw/zinc/38/62/64/142386264.db2.gz XIDCIWWEYNVLLH-UHFFFAOYSA-N 0 0 339.355 2.980 10 5 EFBERN CCn1c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)nc2cccnc21 ZINC000349987567 142386812 /nfs/dbraw/zinc/38/68/12/142386812.db2.gz LIMQJRPJWIDTMC-UHFFFAOYSA-N 0 0 339.355 2.849 10 5 EFBERN CCn1c(NC(=O)Cc2cccc([N+](=O)[O-])c2)nc2cccnc21 ZINC000349992317 142388036 /nfs/dbraw/zinc/38/80/36/142388036.db2.gz JTDXOFBIOJDURW-UHFFFAOYSA-N 0 0 325.328 2.541 10 5 EFBERN Cc1cc(=O)c(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c2n1CCC2 ZINC000350496675 142430104 /nfs/dbraw/zinc/43/01/04/142430104.db2.gz DAERKTBTVSTKEM-UHFFFAOYSA-N 0 0 338.323 2.728 10 5 EFBERN Cc1cc(=O)c(-c2noc(-c3ccccc3[N+](=O)[O-])n2)c2n1CCC2 ZINC000350512466 142432048 /nfs/dbraw/zinc/43/20/48/142432048.db2.gz WETYVBCUBPMQNQ-UHFFFAOYSA-N 0 0 338.323 2.728 10 5 EFBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000352229357 142450096 /nfs/dbraw/zinc/45/00/96/142450096.db2.gz RAOJFJQPPBYWEE-ZJUUUORDSA-N 0 0 331.294 2.806 10 5 EFBERN O=C(NCC[C@H](O)C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000337047251 143768913 /nfs/dbraw/zinc/76/89/13/143768913.db2.gz PTNUHDSYQILTBG-NSHDSACASA-N 0 0 348.302 2.853 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2nc([C@H](C)OC)ns2)c1 ZINC000337906720 143836676 /nfs/dbraw/zinc/83/66/76/143836676.db2.gz CXQVROZMLKIZJE-ZETCQYMHSA-N 0 0 339.329 2.733 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)Cc2cccc(-n3cccn3)c2)c1 ZINC000337907135 143836871 /nfs/dbraw/zinc/83/68/71/143836871.db2.gz VOWGYQLJBSCQFA-UHFFFAOYSA-N 0 0 343.364 2.754 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000337958390 143848729 /nfs/dbraw/zinc/84/87/29/143848729.db2.gz DSYYEZQILPXPMH-SJORKVTESA-N 0 0 325.368 2.993 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000338065800 143881150 /nfs/dbraw/zinc/88/11/50/143881150.db2.gz HVODUKHHRRQQHI-OAHLLOKOSA-N 0 0 335.404 2.736 10 5 EFBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000338081414 143885047 /nfs/dbraw/zinc/88/50/47/143885047.db2.gz APKAPCQIBYRTKT-HNNXBMFYSA-N 0 0 345.330 2.863 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCOC[C@@H]1CC1CCC1 ZINC000339776096 144845449 /nfs/dbraw/zinc/84/54/49/144845449.db2.gz KTVOSTMJZCFRQW-HNNXBMFYSA-N 0 0 347.415 2.733 10 5 EFBERN CC[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000341170205 145005288 /nfs/dbraw/zinc/00/52/88/145005288.db2.gz YXUACVAJQBLVGE-HNNXBMFYSA-N 0 0 346.387 2.922 10 5 EFBERN COCc1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)s1 ZINC000341191871 145009650 /nfs/dbraw/zinc/00/96/50/145009650.db2.gz QLHUKRUYWKGXKL-VIFPVBQESA-N 0 0 333.369 2.789 10 5 EFBERN Cc1cc2ncc(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])c(C)n2n1 ZINC000341306302 145030391 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Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCCOCc1ccccc1 ZINC000342154101 145072554 /nfs/dbraw/zinc/07/25/54/145072554.db2.gz UMZDJOUPBWPOCQ-UHFFFAOYSA-N 0 0 343.383 2.977 10 5 EFBERN COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c[nH]1 ZINC000342175462 145075765 /nfs/dbraw/zinc/07/57/65/145075765.db2.gz QXHQIMYEQBUMHK-SNVBAGLBSA-N 0 0 331.328 2.509 10 5 EFBERN CCCC[C@@H](COC)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342261652 145089328 /nfs/dbraw/zinc/08/93/28/145089328.db2.gz IDAVQSRPOIKFBG-JTQLQIEISA-N 0 0 330.331 2.737 10 5 EFBERN C[C@H](NCc1cc(=O)n2ccsc2n1)c1ccccc1[N+](=O)[O-] ZINC000342289183 145094104 /nfs/dbraw/zinc/09/41/04/145094104.db2.gz BLNSBZMQASCLJH-JTQLQIEISA-N 0 0 330.369 2.515 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C)CCc2ccc(C)o2)c1[N+](=O)[O-] ZINC000342291940 145094667 /nfs/dbraw/zinc/09/46/67/145094667.db2.gz KCGBFADBYQONKO-JTQLQIEISA-N 0 0 347.371 2.841 10 5 EFBERN Cc1c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nnn1C(C)C ZINC000342343983 145105388 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Cc1cnc(CCN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)s1 ZINC000342774563 145188906 /nfs/dbraw/zinc/18/89/06/145188906.db2.gz CPXWXIHWGRMGLN-UHFFFAOYSA-N 0 0 345.384 2.687 10 5 EFBERN COC(=O)c1cc(C)nc(Oc2ccc3c[nH]nc3c2)c1[N+](=O)[O-] ZINC000342778925 145190272 /nfs/dbraw/zinc/19/02/72/145190272.db2.gz CKGDGBUAQNHPKG-UHFFFAOYSA-N 0 0 328.284 2.753 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc3cc(C)ccc3[nH]2)n1 ZINC000342793539 145194243 /nfs/dbraw/zinc/19/42/43/145194243.db2.gz VITQBBAJWVORFB-UHFFFAOYSA-N 0 0 341.327 2.573 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(N(C)C(C)=O)c2)n1 ZINC000342848472 145208342 /nfs/dbraw/zinc/20/83/42/145208342.db2.gz LXKCXUYQKWNGCG-UHFFFAOYSA-N 0 0 344.327 2.503 10 5 EFBERN Nc1c(C(=O)N2CCc3cc(F)c(F)cc32)cc(F)cc1[N+](=O)[O-] ZINC000342852171 145209095 /nfs/dbraw/zinc/20/90/95/145209095.db2.gz MRHMDVNVLXEFOA-UHFFFAOYSA-N 0 0 337.257 2.797 10 5 EFBERN O=C(NCCc1ccccc1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342891756 145216390 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CO[C@H](C)CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000343759929 145287912 /nfs/dbraw/zinc/28/79/12/145287912.db2.gz YIRHYSDTYLXCKK-CYBMUJFWSA-N 0 0 346.387 2.666 10 5 EFBERN C[C@H]1C[C@H](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000343793356 145296097 /nfs/dbraw/zinc/29/60/97/145296097.db2.gz HAKHHSDKXBQOCU-WDEREUQCSA-N 0 0 342.342 2.737 10 5 EFBERN COc1cc(OCC(=O)N(C)C[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000343800622 145297729 /nfs/dbraw/zinc/29/77/29/145297729.db2.gz SFWKGPKFOSHMOQ-ZDUSSCGKSA-N 0 0 334.372 2.797 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000343869797 145313089 /nfs/dbraw/zinc/31/30/89/145313089.db2.gz BYOIIYQHPIDTJF-AWEZNQCLSA-N 0 0 325.368 2.958 10 5 EFBERN COc1cc(NCCCN2CCCCC2=O)c([N+](=O)[O-])cc1F ZINC000343903267 145320823 /nfs/dbraw/zinc/32/08/23/145320823.db2.gz YLSWSAFILKQEJT-UHFFFAOYSA-N 0 0 325.340 2.557 10 5 EFBERN COc1ccc(S(=O)(=O)N(C)C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000343942908 145329679 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328.372 2.664 10 5 EFBERN Cc1cncc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000359630276 148144624 /nfs/dbraw/zinc/14/46/24/148144624.db2.gz VUNAHCKOAHGXKC-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN CCOc1ccc(C(=O)NCCNc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000359751227 148179970 /nfs/dbraw/zinc/17/99/70/148179970.db2.gz JVRCRBSITRNHFJ-UHFFFAOYSA-N 0 0 344.371 2.539 10 5 EFBERN O=[N+]([O-])c1ccc(NCCCCn2cc(Br)cn2)cn1 ZINC000359794642 148190811 /nfs/dbraw/zinc/19/08/11/148190811.db2.gz BSBJOIQGVHOSRC-UHFFFAOYSA-N 0 0 340.181 2.841 10 5 EFBERN COc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000359830301 148200531 /nfs/dbraw/zinc/20/05/31/148200531.db2.gz ILXFKITTXFFSJZ-UHFFFAOYSA-N 0 0 340.332 2.852 10 5 EFBERN Cc1cc(C(=O)NC2(C(F)(F)F)CCOCC2)ccc1[N+](=O)[O-] ZINC000359886212 148215311 /nfs/dbraw/zinc/21/53/11/148215311.db2.gz VNCZEDQKRHPLEZ-UHFFFAOYSA-N 0 0 332.278 2.745 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ncccc1O ZINC000359904356 148219809 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EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCc2ncc(C)s2)c1 ZINC000360135959 148280785 /nfs/dbraw/zinc/28/07/85/148280785.db2.gz RYDXNLGQEYLZAM-UHFFFAOYSA-N 0 0 335.385 2.825 10 5 EFBERN CCc1nn(C)c(CC)c1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360141422 148281827 /nfs/dbraw/zinc/28/18/27/148281827.db2.gz BDLLXRRTYKDPNG-UHFFFAOYSA-N 0 0 346.387 2.852 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+](C)Cc2ccccc2)c1 ZINC000360142900 148282950 /nfs/dbraw/zinc/28/29/50/148282950.db2.gz GOQCUPHYKODCKM-UHFFFAOYSA-N 0 0 343.383 2.925 10 5 EFBERN COC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC(C)CC1 ZINC000360204000 148297993 /nfs/dbraw/zinc/29/79/93/148297993.db2.gz SKCBSYOCCQINQN-UHFFFAOYSA-N 0 0 348.446 2.530 10 5 EFBERN CC(C)OC(=O)CCCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000360335483 148334072 /nfs/dbraw/zinc/33/40/72/148334072.db2.gz QYEQPUMSACJTDI-GFCCVEGCSA-N 0 0 337.376 2.687 10 5 EFBERN Cn1cc([C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000360383986 148347334 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O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000361164141 148559756 /nfs/dbraw/zinc/55/97/56/148559756.db2.gz OMCSNEPFQUOTMK-CQSZACIVSA-N 0 0 328.324 2.555 10 5 EFBERN CNc1c(C(=O)N2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000361172824 148562027 /nfs/dbraw/zinc/56/20/27/148562027.db2.gz XFBOBOJEFNFCDW-UHFFFAOYSA-N 0 0 335.404 2.914 10 5 EFBERN CNc1c(C(=O)N[C@@H](C)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000361204361 148569399 /nfs/dbraw/zinc/56/93/99/148569399.db2.gz UJUPCIBYMXGAGK-ZDUSSCGKSA-N 0 0 343.383 2.972 10 5 EFBERN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361209394 148570574 /nfs/dbraw/zinc/57/05/74/148570574.db2.gz FXSIWOSMXRYHIH-LLVKDONJSA-N 0 0 343.177 2.608 10 5 EFBERN COc1c(C(=O)N2CC(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000361228725 148576566 /nfs/dbraw/zinc/57/65/66/148576566.db2.gz NLWALWAQGXZAMS-UHFFFAOYSA-N 0 0 330.315 2.982 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000361478709 148635737 /nfs/dbraw/zinc/63/57/37/148635737.db2.gz NJGNRMAOPRESAA-LBPRGKRZSA-N 0 0 343.387 2.712 10 5 EFBERN C/C=C\C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000361536881 148646873 /nfs/dbraw/zinc/64/68/73/148646873.db2.gz MEESMVZHZITPSI-QTLSWZBMSA-N 0 0 334.372 2.542 10 5 EFBERN C/C=C\C[C@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)OCC ZINC000361548818 148649437 /nfs/dbraw/zinc/64/94/37/148649437.db2.gz HNKYMLKWAYYGBY-ZBKLQPJUSA-N 0 0 334.372 2.785 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000361657610 148671094 /nfs/dbraw/zinc/67/10/94/148671094.db2.gz CXUCYGUNJVMGIE-GOSISDBHSA-N 0 0 328.368 2.875 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000362022076 148741512 /nfs/dbraw/zinc/74/15/12/148741512.db2.gz FDBQJGXVUJWYKF-MWLCHTKSSA-N 0 0 348.325 2.716 10 5 EFBERN CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000362058105 148748085 /nfs/dbraw/zinc/74/80/85/148748085.db2.gz ABLHMJXHEGLJPL-CYBMUJFWSA-N 0 0 341.795 2.611 10 5 EFBERN CC1CCC(C)(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000362072516 148751461 /nfs/dbraw/zinc/75/14/61/148751461.db2.gz OCIRXMPJEQMCHX-UHFFFAOYSA-N 0 0 333.388 2.866 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000362182265 148771192 /nfs/dbraw/zinc/77/11/92/148771192.db2.gz CVDDPHQLLIDVOK-MRXNPFEDSA-N 0 0 346.314 2.653 10 5 EFBERN Cc1cn(C[C@H](O)COc2c(Cl)cccc2Cl)nc1[N+](=O)[O-] ZINC000362331259 148801753 /nfs/dbraw/zinc/80/17/53/148801753.db2.gz XYSJDQMMTISBNQ-VIFPVBQESA-N 0 0 346.170 2.846 10 5 EFBERN Cc1nn(C)c(C(=O)N[C@H](C)c2ccc3ncsc3c2)c1[N+](=O)[O-] ZINC000362502912 148832949 /nfs/dbraw/zinc/83/29/49/148832949.db2.gz PUGQVLRIAMUHMU-MRVPVSSYSA-N 0 0 345.384 2.737 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc[nH]c1C1CCC1 ZINC000362962660 148914326 /nfs/dbraw/zinc/91/43/26/148914326.db2.gz FLGDIRAXUPVUPO-UHFFFAOYSA-N 0 0 325.328 2.741 10 5 EFBERN Cc1ccnc(C2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000363810147 149014701 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Cc1ccc(NC(=O)NCC2(O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000365483418 149407896 /nfs/dbraw/zinc/40/78/96/149407896.db2.gz VGCCZCJLMACFQF-UHFFFAOYSA-N 0 0 341.367 2.555 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000365768850 149475758 /nfs/dbraw/zinc/47/57/58/149475758.db2.gz IZEJIXOWPRFARN-LBPRGKRZSA-N 0 0 343.387 2.712 10 5 EFBERN CC[C@@H](NC(=O)N1CC([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000366310207 149599713 /nfs/dbraw/zinc/59/97/13/149599713.db2.gz CMSWFKQAZZRPGE-CZUORRHYSA-N 0 0 333.388 2.724 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000366557001 149657965 /nfs/dbraw/zinc/65/79/65/149657965.db2.gz IFRMNDGEJFGWSM-ZUZCIYMTSA-N 0 0 347.396 2.792 10 5 EFBERN Cc1c(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000367500257 149888217 /nfs/dbraw/zinc/88/82/17/149888217.db2.gz LDKRUGRLZHNSJN-LBPRGKRZSA-N 0 0 342.355 2.793 10 5 EFBERN C[C@@H]1CCOCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000367675410 149929043 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CC(C)(C(=O)N1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1F ZINC000368896535 150232298 /nfs/dbraw/zinc/23/22/98/150232298.db2.gz NJSCATBVQYPKJP-UHFFFAOYSA-N 0 0 336.363 2.793 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000368964482 150246434 /nfs/dbraw/zinc/24/64/34/150246434.db2.gz PCCHFSXOGKZHIE-DYVFJYSZSA-N 0 0 341.367 2.685 10 5 EFBERN COc1ccc(CN[C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000369087803 150272484 /nfs/dbraw/zinc/27/24/84/150272484.db2.gz MYCUPIWQEJDLBZ-GFCCVEGCSA-N 0 0 345.403 2.772 10 5 EFBERN COc1cc(C(=O)N2CCCCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000351695425 286193408 /nfs/dbraw/zinc/19/34/08/286193408.db2.gz XOHFALVHMOIFNA-UHFFFAOYSA-N 0 0 346.286 2.763 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000370204808 150542384 /nfs/dbraw/zinc/54/23/84/150542384.db2.gz UGEUJJPLRDVKFE-DEYYWGMASA-N 0 0 348.399 2.702 10 5 EFBERN C[C@]1(c2ccccc2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000370385461 150581858 /nfs/dbraw/zinc/58/18/58/150581858.db2.gz PVEFGCRLDCVYEG-SFHVURJKSA-N 0 0 325.368 2.862 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(COc2ccccc2)CC1 ZINC000370521082 150612248 /nfs/dbraw/zinc/61/22/48/150612248.db2.gz CSMCYJFBPXSZCR-UHFFFAOYSA-N 0 0 341.367 2.921 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000370540970 150616245 /nfs/dbraw/zinc/61/62/45/150616245.db2.gz ZHISEIDOCVUZDL-QGZVFWFLSA-N 0 0 341.367 2.576 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000371533020 150840389 /nfs/dbraw/zinc/84/03/89/150840389.db2.gz CTUYMRXWWBVNBW-UONOGXRCSA-N 0 0 346.383 2.967 10 5 EFBERN COc1cc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352767883 286219001 /nfs/dbraw/zinc/21/90/01/286219001.db2.gz GYDUDURSZYKSBD-NSHDSACASA-N 0 0 347.337 2.672 10 5 EFBERN C[C@H]1N(C(=O)CCOc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000371822508 150901066 /nfs/dbraw/zinc/90/10/66/150901066.db2.gz LAABNINIGUQYRV-CQSZACIVSA-N 0 0 348.399 2.781 10 5 EFBERN C[C@H]1N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCC12CCOCC2 ZINC000371875652 150909602 /nfs/dbraw/zinc/90/96/02/150909602.db2.gz FCCNLFHYTZCUSO-SNVBAGLBSA-N 0 0 340.326 2.904 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000372035373 150934519 /nfs/dbraw/zinc/93/45/19/150934519.db2.gz DAQBNPFOVFGBME-CQSZACIVSA-N 0 0 349.431 2.940 10 5 EFBERN O=C(NC1(CO)Cc2ccccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000372446512 151008661 /nfs/dbraw/zinc/00/86/61/151008661.db2.gz OGALBFDBNJKYLW-UHFFFAOYSA-N 0 0 346.770 2.508 10 5 EFBERN Cc1nc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)ccc1[N+](=O)[O-] ZINC000372785594 151062429 /nfs/dbraw/zinc/06/24/29/151062429.db2.gz HCWLQXZBNRHRPY-ZDUSSCGKSA-N 0 0 333.731 2.894 10 5 EFBERN Cc1nc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)ccc1[N+](=O)[O-] ZINC000372785592 151062490 /nfs/dbraw/zinc/06/24/90/151062490.db2.gz HCWLQXZBNRHRPY-CYBMUJFWSA-N 0 0 333.731 2.894 10 5 EFBERN Cc1c(NC(=O)C(=O)N2CC3(CCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372983839 151092342 /nfs/dbraw/zinc/09/23/42/151092342.db2.gz PQKVZLFQMTXVHK-LLVKDONJSA-N 0 0 331.372 2.633 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000372987409 151093805 /nfs/dbraw/zinc/09/38/05/151093805.db2.gz YSVZUCQSCQSDJG-GFCCVEGCSA-N 0 0 345.399 2.941 10 5 EFBERN O=[N+]([O-])c1ccc(OCc2cccc(-n3cccn3)c2)cc1CO ZINC000373001032 151096725 /nfs/dbraw/zinc/09/67/25/151096725.db2.gz XNQGUIVTAVCBNN-UHFFFAOYSA-N 0 0 325.324 2.852 10 5 EFBERN Cc1sc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000373073397 151109528 /nfs/dbraw/zinc/10/95/28/151109528.db2.gz DFBORMVQYFTKNU-NSHDSACASA-N 0 0 334.401 2.718 10 5 EFBERN Cc1ccc([C@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000373192295 151130981 /nfs/dbraw/zinc/13/09/81/151130981.db2.gz IZLJBACFSWZLGP-ZDUSSCGKSA-N 0 0 327.340 2.634 10 5 EFBERN C[C@@H]1CC2(CCC2)CN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000373210210 151134963 /nfs/dbraw/zinc/13/49/63/151134963.db2.gz NZWMBDQIUPEVHW-LLVKDONJSA-N 0 0 343.387 2.945 10 5 EFBERN O=C(NCc1ccc(-c2cccnc2)cc1)Nc1ccncc1[N+](=O)[O-] ZINC000373300000 151149501 /nfs/dbraw/zinc/14/95/01/151149501.db2.gz HISKYNTXRLLRFF-UHFFFAOYSA-N 0 0 349.350 2.795 10 5 EFBERN CN(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000373308739 151150453 /nfs/dbraw/zinc/15/04/53/151150453.db2.gz ZZVVMFNEPLHILN-UHFFFAOYSA-N 0 0 335.408 2.813 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000373362916 151158811 /nfs/dbraw/zinc/15/88/11/151158811.db2.gz PHKZMSLRZRBTEH-AWEZNQCLSA-N 0 0 344.323 2.672 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000373725284 151217206 /nfs/dbraw/zinc/21/72/06/151217206.db2.gz FVOINIOUVCXVRL-INIZCTEOSA-N 0 0 333.388 2.598 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000373873535 151241655 /nfs/dbraw/zinc/24/16/55/151241655.db2.gz WGZJLKFVVAINBB-QGZVFWFLSA-N 0 0 346.362 2.505 10 5 EFBERN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000373967733 151259203 /nfs/dbraw/zinc/25/92/03/151259203.db2.gz GRPRJNAIEZBLES-RHSMWYFYSA-N 0 0 349.387 2.705 10 5 EFBERN C[C@@H]1C[C@@]2(CCO1)CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000373965840 151259318 /nfs/dbraw/zinc/25/93/18/151259318.db2.gz ALGDWLVSVUUKBN-IGCXYCKISA-N 0 0 338.379 2.892 10 5 EFBERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374016646 151267677 /nfs/dbraw/zinc/26/76/77/151267677.db2.gz FIQNNZBQTYVFRH-QWQRMKEZSA-N 0 0 348.399 2.702 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2cccc(F)c2)CC1 ZINC000374033377 151271312 /nfs/dbraw/zinc/27/13/12/151271312.db2.gz PTTYSPIJMOYMDP-UHFFFAOYSA-N 0 0 344.346 2.612 10 5 EFBERN Cc1c(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374042943 151273421 /nfs/dbraw/zinc/27/34/21/151273421.db2.gz XKPPOBVVTHRWJP-VBHSOAQHSA-N 0 0 348.399 2.702 10 5 EFBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1=O ZINC000374168020 151294360 /nfs/dbraw/zinc/29/43/60/151294360.db2.gz QALBOYAGAKFIRI-QRTLGDNMSA-N 0 0 341.314 2.617 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]cn2)CC1 ZINC000374213795 151302386 /nfs/dbraw/zinc/30/23/86/151302386.db2.gz WCDDHKDQZVIPQR-GFCCVEGCSA-N 0 0 343.387 2.525 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC(Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000374532960 151364717 /nfs/dbraw/zinc/36/47/17/151364717.db2.gz COZYZQUPCQYINH-UHFFFAOYSA-N 0 0 348.790 2.605 10 5 EFBERN COc1cc(NCc2cccc(-n3cncn3)c2)c([N+](=O)[O-])cc1F ZINC000374541346 151366456 /nfs/dbraw/zinc/36/64/56/151366456.db2.gz MENFXNYZEMMSIB-UHFFFAOYSA-N 0 0 343.318 2.935 10 5 EFBERN CCc1nc(C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n[nH]1 ZINC000374551470 151368490 /nfs/dbraw/zinc/36/84/90/151368490.db2.gz TZZIDRPEBJQUDE-UHFFFAOYSA-N 0 0 333.367 2.794 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374696304 151397649 /nfs/dbraw/zinc/39/76/49/151397649.db2.gz XBZVWELOFSZBFU-LBPRGKRZSA-N 0 0 347.321 2.973 10 5 EFBERN C[C@H]1CCOCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000375000024 151451176 /nfs/dbraw/zinc/45/11/76/151451176.db2.gz URNCPRUJTZXMCU-VIFPVBQESA-N 0 0 332.278 2.865 10 5 EFBERN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375176495 151487255 /nfs/dbraw/zinc/48/72/55/151487255.db2.gz OUKYODSWASYBKA-OAHLLOKOSA-N 0 0 345.355 2.631 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@]2(C1)CCCOC2 ZINC000375303407 151508354 /nfs/dbraw/zinc/50/83/54/151508354.db2.gz OHKVGSFHWBMQOG-KRWDZBQOSA-N 0 0 330.340 2.984 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCCOC3)c1 ZINC000375354184 151517725 /nfs/dbraw/zinc/51/77/25/151517725.db2.gz MUWLVPGJIRZCOA-MRXNPFEDSA-N 0 0 336.413 2.959 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000375660999 151571781 /nfs/dbraw/zinc/57/17/81/151571781.db2.gz SFXRUTAVAPDHFB-HNNXBMFYSA-N 0 0 326.780 2.630 10 5 EFBERN Cc1sc(C(=O)N[C@H](c2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000375816126 151600798 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EFBERN Cc1ccc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000377782031 151945664 /nfs/dbraw/zinc/94/56/64/151945664.db2.gz HPULVOOKBFFQOG-HNNXBMFYSA-N 0 0 342.399 2.968 10 5 EFBERN CCc1ccc(C(=O)N2CCC(c3c[nH]cn3)CC2)cc1[N+](=O)[O-] ZINC000378081974 152004477 /nfs/dbraw/zinc/00/44/77/152004477.db2.gz FPTJWUQWKIWECC-UHFFFAOYSA-N 0 0 328.372 2.900 10 5 EFBERN Nc1c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000378392964 152074199 /nfs/dbraw/zinc/07/41/99/152074199.db2.gz GZANLQMNQBKBMB-GUYCJALGSA-N 0 0 341.367 2.685 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CCc2ccccc2)n1 ZINC000378403173 152077546 /nfs/dbraw/zinc/07/75/46/152077546.db2.gz MYOYEVPYLHCYFR-HNNXBMFYSA-N 0 0 342.399 2.956 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000378528263 152110090 /nfs/dbraw/zinc/11/00/90/152110090.db2.gz HSLQJHBJMCNLOQ-OAHLLOKOSA-N 0 0 337.339 2.541 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2COCC[C@@H]21 ZINC000408001961 152143740 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C[C@@H]1CCCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343549686 274284574 /nfs/dbraw/zinc/28/45/74/274284574.db2.gz KMIYJSRAYJRIFL-CYBMUJFWSA-N 0 0 326.418 2.633 10 5 EFBERN C[C@@H]1CCCCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000358378940 274284616 /nfs/dbraw/zinc/28/46/16/274284616.db2.gz CWSZHSAESISYEW-LLVKDONJSA-N 0 0 335.360 2.527 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cc(OC)c(OC)cc2C)n1 ZINC000286915472 274299722 /nfs/dbraw/zinc/29/97/22/274299722.db2.gz KJJPSDUVBSMYAJ-UHFFFAOYSA-N 0 0 347.327 2.846 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCSC(C)(C)CC2)c1[N+](=O)[O-] ZINC000287572052 274448896 /nfs/dbraw/zinc/44/88/96/274448896.db2.gz DDJGEXHYYAIUCM-UHFFFAOYSA-N 0 0 339.417 2.807 10 5 EFBERN CC(=O)c1cc(N2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000287828822 274492030 /nfs/dbraw/zinc/49/20/30/274492030.db2.gz LEUHRLOKDRPINE-LBPRGKRZSA-N 0 0 334.372 2.965 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000287950963 274508007 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CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3nncn3C2)cc1[N+](=O)[O-] ZINC000353424434 275536189 /nfs/dbraw/zinc/53/61/89/275536189.db2.gz USWVTGGZFNCDCM-LLVKDONJSA-N 0 0 343.387 2.685 10 5 EFBERN CC1(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])COC1 ZINC000112696019 275897611 /nfs/dbraw/zinc/89/76/11/275897611.db2.gz VPKPQBYHAYETLR-UHFFFAOYSA-N 0 0 335.238 2.970 10 5 EFBERN CCCNc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000004684028 276018829 /nfs/dbraw/zinc/01/88/29/276018829.db2.gz BQRIUPMYYUBJKB-STQMWFEESA-N 0 0 329.356 2.872 10 5 EFBERN CCOC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000154909563 276291265 /nfs/dbraw/zinc/29/12/65/276291265.db2.gz OPWQHQZAXMOIMD-KRWDZBQOSA-N 0 0 329.356 2.923 10 5 EFBERN CC[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@]2(CCOC2)O1 ZINC000366485715 276498371 /nfs/dbraw/zinc/49/83/71/276498371.db2.gz ANGIXNCYQXXYHE-QAPCUYQASA-N 0 0 343.383 2.917 10 5 EFBERN CNC(=O)c1ccc(N2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000268371537 277017418 /nfs/dbraw/zinc/01/74/18/277017418.db2.gz GLSCMDRYFJNKOK-CQSZACIVSA-N 0 0 347.396 2.594 10 5 EFBERN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000371869812 277246867 /nfs/dbraw/zinc/24/68/67/277246867.db2.gz KOWQDNBDZBDDQT-SFHVURJKSA-N 0 0 339.395 2.576 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2CC(F)(F)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000372549853 277265997 /nfs/dbraw/zinc/26/59/97/277265997.db2.gz AORRVZAZBMIPBS-NSHDSACASA-N 0 0 342.342 2.734 10 5 EFBERN CO[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(F)(F)F ZINC000421507221 277278066 /nfs/dbraw/zinc/27/80/66/277278066.db2.gz OOWSIXZNFBFLMG-LBPRGKRZSA-N 0 0 334.294 2.909 10 5 EFBERN CO[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@H]1C ZINC000341436190 277300910 /nfs/dbraw/zinc/30/09/10/277300910.db2.gz SJAFTNVTVLLUDG-LDYMZIIASA-N 0 0 344.209 2.922 10 5 EFBERN CNc1c(C(=O)Nc2nc3c(s2)C(=O)CCC3)cccc1[N+](=O)[O-] ZINC000361329176 277301530 /nfs/dbraw/zinc/30/15/30/277301530.db2.gz WWXQCYMQERDTPY-UHFFFAOYSA-N 0 0 346.368 2.864 10 5 EFBERN CO[C@H](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(F)(F)F ZINC000421507220 277327151 /nfs/dbraw/zinc/32/71/51/277327151.db2.gz OOWSIXZNFBFLMG-GFCCVEGCSA-N 0 0 334.294 2.909 10 5 EFBERN COC(=O)[C@H]1CC12CCN(c1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000268244747 277387736 /nfs/dbraw/zinc/38/77/36/277387736.db2.gz YFFMWAZLTBHDLB-SNVBAGLBSA-N 0 0 338.335 2.522 10 5 EFBERN COC(=O)c1cc(N2CC[C@H]([C@H]3CCOC3)C2)cc(C)c1[N+](=O)[O-] ZINC000372179023 277423636 /nfs/dbraw/zinc/42/36/36/277423636.db2.gz ABZPDIDKZVRINQ-STQMWFEESA-N 0 0 334.372 2.553 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCOCC2(CC2)C1 ZINC000450437424 277447537 /nfs/dbraw/zinc/44/75/37/277447537.db2.gz KOZACIMIZPLBPC-UHFFFAOYSA-N 0 0 329.356 2.768 10 5 EFBERN COC[C@H]1CCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000354038977 277605916 /nfs/dbraw/zinc/60/59/16/277605916.db2.gz OWEJKHRUFKRFFW-DZGCQCFKSA-N 0 0 347.415 2.692 10 5 EFBERN COc1cc(N2CCN(c3cnccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000359931610 277825994 /nfs/dbraw/zinc/82/59/94/277825994.db2.gz LRJYXPZTABICII-UHFFFAOYSA-N 0 0 346.362 2.773 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@H](C2CC2)C1 ZINC000450451430 277994831 /nfs/dbraw/zinc/99/48/31/277994831.db2.gz FMLMOYUXAXJVQK-INIZCTEOSA-N 0 0 329.356 2.767 10 5 EFBERN COc1cccc(C(=O)Nc2ccc3nc(C)cn3c2)c1[N+](=O)[O-] ZINC000435736366 278008233 /nfs/dbraw/zinc/00/82/33/278008233.db2.gz WXUGYVBJZZANTL-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN CC(C)c1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189889877 278027547 /nfs/dbraw/zinc/02/75/47/278027547.db2.gz OCWFQVUREGAEMG-CQSZACIVSA-N 0 0 346.305 2.858 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000187857109 278031510 /nfs/dbraw/zinc/03/15/10/278031510.db2.gz VGQVJIIWLZAHOR-CYBMUJFWSA-N 0 0 329.360 2.575 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C2CC2)n(C)n1 ZINC000359705484 278038427 /nfs/dbraw/zinc/03/84/27/278038427.db2.gz GQBVDWFHECQGCE-SNVBAGLBSA-N 0 0 326.356 2.797 10 5 EFBERN C[C@H]1CCCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355619643 278329395 /nfs/dbraw/zinc/32/93/95/278329395.db2.gz OMAFCIGJZGWSPZ-ZDUSSCGKSA-N 0 0 326.418 2.732 10 5 EFBERN CC1(C)COC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000411076160 278355023 /nfs/dbraw/zinc/35/50/23/278355023.db2.gz XGKGAKISPQMLCQ-NSHDSACASA-N 0 0 332.278 2.768 10 5 EFBERN Cc1c(CC(=O)N2CCOC[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000372178779 278594898 /nfs/dbraw/zinc/59/48/98/278594898.db2.gz AQXXOAOXYSJTOV-OAHLLOKOSA-N 0 0 330.340 2.639 10 5 EFBERN Cc1cc(NC(=O)[C@@H]2CCC(C)(C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000362728112 278622273 /nfs/dbraw/zinc/62/22/73/278622273.db2.gz LECAIGNVFFJVBN-HNNXBMFYSA-N 0 0 329.356 2.769 10 5 EFBERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179252488 278706368 /nfs/dbraw/zinc/70/63/68/278706368.db2.gz PFBXEYDMLNYCEJ-GHMZBOCLSA-N 0 0 333.413 2.974 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)CCC(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000416384924 278739201 /nfs/dbraw/zinc/73/92/01/278739201.db2.gz GVEXDKHPFHFBEL-UHFFFAOYSA-N 0 0 340.323 2.785 10 5 EFBERN C[C@@H]1COCC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000432553351 278851314 /nfs/dbraw/zinc/85/13/14/278851314.db2.gz IRQJCDWPQUBFBX-MFKMUULPSA-N 0 0 347.396 2.873 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000162453862 278894661 /nfs/dbraw/zinc/89/46/61/278894661.db2.gz FKFHAZQZPZLQIQ-UHFFFAOYSA-N 0 0 335.266 2.616 10 5 EFBERN Cc1cccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c1[N+](=O)[O-] ZINC000188770803 278911582 /nfs/dbraw/zinc/91/15/82/278911582.db2.gz KSDHJVYVPILQEB-GFCCVEGCSA-N 0 0 343.387 2.835 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000359692160 279097480 /nfs/dbraw/zinc/09/74/80/279097480.db2.gz ARPUQIQWJOSTHX-RKDXNWHRSA-N 0 0 329.282 2.805 10 5 EFBERN Cc1nn(C)c(C(=O)N[C@@H]2CCCc3c(F)cccc32)c1[N+](=O)[O-] ZINC000452189165 279188325 /nfs/dbraw/zinc/18/83/25/279188325.db2.gz FGJXVBRBNFGYAG-CYBMUJFWSA-N 0 0 332.335 2.583 10 5 EFBERN CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C12CCOCC2 ZINC000187135775 279917929 /nfs/dbraw/zinc/91/79/29/279917929.db2.gz WOLCDPUPGCKZOZ-CVEARBPZSA-N 0 0 348.399 2.607 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ncn(C(C)(C)C)n1 ZINC000361544476 280024120 /nfs/dbraw/zinc/02/41/20/280024120.db2.gz DXYHNPNTVWSDCZ-JTQLQIEISA-N 0 0 329.360 2.533 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000359692158 280109220 /nfs/dbraw/zinc/10/92/20/280109220.db2.gz ARPUQIQWJOSTHX-DTWKUNHWSA-N 0 0 329.282 2.805 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CCOC2)C1 ZINC000412399817 280113257 /nfs/dbraw/zinc/11/32/57/280113257.db2.gz IZFBYUOEUDVFCT-JZXOWHBKSA-N 0 0 330.384 2.727 10 5 EFBERN O=C([C@H]1CC12CCN(c1ccncc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000356787243 280125863 /nfs/dbraw/zinc/12/58/63/280125863.db2.gz DDOVDWVNJRRNKI-CQSZACIVSA-N 0 0 344.415 2.609 10 5 EFBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000369528970 280171702 /nfs/dbraw/zinc/17/17/02/280171702.db2.gz CUHXKCSDTDRKJF-KRWDZBQOSA-N 0 0 345.330 2.638 10 5 EFBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000369539156 280171925 /nfs/dbraw/zinc/17/19/25/280171925.db2.gz CZGONXSKWOBYGO-KRWDZBQOSA-N 0 0 345.330 2.638 10 5 EFBERN Cc1c(C(=O)N2Cc3cnnn3Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000188998994 280213844 /nfs/dbraw/zinc/21/38/44/280213844.db2.gz SPQFABPDDGHEJY-UHFFFAOYSA-N 0 0 349.350 2.703 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cc([N+](=O)[O-])c1 ZINC000356553809 280355830 /nfs/dbraw/zinc/35/58/30/280355830.db2.gz DFXFZIVBBHJUOK-AWEZNQCLSA-N 0 0 330.315 2.776 10 5 EFBERN Cc1ccc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000089451024 280770308 /nfs/dbraw/zinc/77/03/08/280770308.db2.gz IYJRVUXTFKINBA-AWEZNQCLSA-N 0 0 339.351 2.523 10 5 EFBERN CC[C@H]1CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416487918 281102501 /nfs/dbraw/zinc/10/25/01/281102501.db2.gz LFABGMDBKCOVTG-VIFPVBQESA-N 0 0 338.307 2.787 10 5 EFBERN CSc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000056354369 292657866 /nfs/dbraw/zinc/65/78/66/292657866.db2.gz DPPPZZOZJAJYNI-UHFFFAOYSA-N 0 0 335.360 2.968 10 5 EFBERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H](C)C2 ZINC000186701886 281113813 /nfs/dbraw/zinc/11/38/13/281113813.db2.gz NXWWZSJPPXUOCW-MEBBXXQBSA-N 0 0 326.356 2.544 10 5 EFBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(C)=O)C[C@]2(CCOC2)O1 ZINC000376431096 288300580 /nfs/dbraw/zinc/30/05/80/288300580.db2.gz YRELCMDLCPWXBL-YOEHRIQHSA-N 0 0 334.372 2.572 10 5 EFBERN CC1(C)CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000432164569 281269446 /nfs/dbraw/zinc/26/94/46/281269446.db2.gz QZUMSGXVPHFHIS-GOSISDBHSA-N 0 0 343.383 2.917 10 5 EFBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000374842416 281289528 /nfs/dbraw/zinc/28/95/28/281289528.db2.gz GRJIJOKMHMRDBA-CQSZACIVSA-N 0 0 345.330 2.878 10 5 EFBERN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000355518487 281390060 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EFBERN CN(C[C@H]1CCCO1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294720628 295214548 /nfs/dbraw/zinc/21/45/48/295214548.db2.gz ZNNIARVMZRVNOY-SNVBAGLBSA-N 0 0 332.278 2.865 10 5 EFBERN CC(C)[C@]1(CO)CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000294768725 295224107 /nfs/dbraw/zinc/22/41/07/295224107.db2.gz NRMVIRDOFVHYTO-GOSISDBHSA-N 0 0 345.399 2.947 10 5 EFBERN O=C(NC[C@@H](CO)C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294771589 295224949 /nfs/dbraw/zinc/22/49/49/295224949.db2.gz ZSUHPJDEJBCRIW-ZDUSSCGKSA-N 0 0 345.399 2.995 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCCC[C@@H]2c2cc[nH]n2)c1[N+](=O)[O-] ZINC000294827522 295233488 /nfs/dbraw/zinc/23/34/88/295233488.db2.gz ABFOCDIHGXJOKG-CYBMUJFWSA-N 0 0 345.359 2.540 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)[C@H]1CC[C@H](O)CC1 ZINC000294875198 295239862 /nfs/dbraw/zinc/23/98/62/295239862.db2.gz FCELXWHTWKGEIE-HAQNSBGRSA-N 0 0 331.372 2.891 10 5 EFBERN Cc1nc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)ncc1[N+](=O)[O-] ZINC000294877105 295239939 /nfs/dbraw/zinc/23/99/39/295239939.db2.gz FGWPAMDECMTODU-CYBMUJFWSA-N 0 0 328.376 2.637 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000407986081 295253971 /nfs/dbraw/zinc/25/39/71/295253971.db2.gz KORBSOWXIKYCMU-KRWDZBQOSA-N 0 0 336.388 2.768 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000408302572 295255418 /nfs/dbraw/zinc/25/54/18/295255418.db2.gz GYOBSOASPIMHNC-IJLUTSLNSA-N 0 0 342.417 2.659 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000295013056 295257626 /nfs/dbraw/zinc/25/76/26/295257626.db2.gz TXYNJODGWLHDJZ-CQSZACIVSA-N 0 0 348.309 2.856 10 5 EFBERN COC(=O)c1cc(NCc2nnc(C(C)C)[nH]2)cc(C)c1[N+](=O)[O-] ZINC000295038357 295260275 /nfs/dbraw/zinc/26/02/75/295260275.db2.gz WIYHLWSCWASAGN-UHFFFAOYSA-N 0 0 333.348 2.543 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cnc(C2CC2)nc1 ZINC000295062506 295263412 /nfs/dbraw/zinc/26/34/12/295263412.db2.gz HHMCXEOVHQIMGQ-UHFFFAOYSA-N 0 0 332.747 2.846 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]n1 ZINC000295104409 295268525 /nfs/dbraw/zinc/26/85/25/295268525.db2.gz ZGVYHEPNNDPLDX-VIFPVBQESA-N 0 0 336.779 2.949 10 5 EFBERN COc1cccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000436019254 295283791 /nfs/dbraw/zinc/28/37/91/295283791.db2.gz BCFMEQCJHWGHPK-LBPRGKRZSA-N 0 0 334.372 2.635 10 5 EFBERN CO[C@@H]1COCC[C@H]1CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000295237760 295286327 /nfs/dbraw/zinc/28/63/27/295286327.db2.gz ZWBWTABBDOHIAQ-SWLSCSKDSA-N 0 0 345.355 2.523 10 5 EFBERN COC(=O)CCCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295323964 295300638 /nfs/dbraw/zinc/30/06/38/295300638.db2.gz SWORGIIZDONSJK-UHFFFAOYSA-N 0 0 328.752 2.630 10 5 EFBERN C[C@@H]1C[C@H](S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000295323085 295300802 /nfs/dbraw/zinc/30/08/02/295300802.db2.gz WOGMKUKQIHGJCR-PSASIEDQSA-N 0 0 335.765 2.524 10 5 EFBERN COc1cccc(N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000373733355 295306827 /nfs/dbraw/zinc/30/68/27/295306827.db2.gz YASJQWZLRAEOLM-IGCXYCKISA-N 0 0 336.388 2.766 10 5 EFBERN C[C@@H]1C[C@H](S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000295362209 295307255 /nfs/dbraw/zinc/30/72/55/295307255.db2.gz JJCIORKRULDBNM-PSASIEDQSA-N 0 0 335.765 2.524 10 5 EFBERN Cc1c(C(=O)NCCCC(C)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295460063 295324413 /nfs/dbraw/zinc/32/44/13/295324413.db2.gz HAVYEZOGVQKDKU-UHFFFAOYSA-N 0 0 331.275 2.977 10 5 EFBERN Cc1n[nH]c(C(=O)N2CCc3c(Cl)cc(F)cc3C2)c1[N+](=O)[O-] ZINC000295492454 295329556 /nfs/dbraw/zinc/32/95/56/295329556.db2.gz SIEYVACLCPRDSG-UHFFFAOYSA-N 0 0 338.726 2.617 10 5 EFBERN CN(C)c1cc(F)c(C(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000295559039 295340849 /nfs/dbraw/zinc/34/08/49/295340849.db2.gz VHUOPUJZAJWKKO-UHFFFAOYSA-N 0 0 346.362 2.558 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295629718 295351597 /nfs/dbraw/zinc/35/15/97/295351597.db2.gz KKKXXYWELOOJJM-ZDUSSCGKSA-N 0 0 347.415 2.657 10 5 EFBERN CN(C)c1cc(F)c(C(=O)N2CCC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295653376 295355200 /nfs/dbraw/zinc/35/52/00/295355200.db2.gz VBFPCRGEGCTAFX-HNNXBMFYSA-N 0 0 327.331 2.764 10 5 EFBERN CCOCc1nc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)no1 ZINC000295660983 295356542 /nfs/dbraw/zinc/35/65/42/295356542.db2.gz ICRKHWJBHNBQEG-MRVPVSSYSA-N 0 0 332.320 2.564 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCCN(CC(F)(F)F)C3)nc2c1 ZINC000295677483 295359193 /nfs/dbraw/zinc/35/91/93/295359193.db2.gz LHEDHQZLMXKXHH-VIFPVBQESA-N 0 0 343.309 2.910 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(CCC(O)CC2)CC1 ZINC000295814561 295380405 /nfs/dbraw/zinc/38/04/05/295380405.db2.gz OPLGYTKDTFPYFA-UHFFFAOYSA-N 0 0 332.400 2.681 10 5 EFBERN O=C(CCc1nc(C[C@@H]2CCCO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000295857718 295387144 /nfs/dbraw/zinc/38/71/44/295387144.db2.gz IZEXDJPXXYJPPE-ZDUSSCGKSA-N 0 0 331.328 2.515 10 5 EFBERN O=C(CCc1nc(C[C@H]2CCCO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000295857716 295387258 /nfs/dbraw/zinc/38/72/58/295387258.db2.gz IZEXDJPXXYJPPE-CYBMUJFWSA-N 0 0 331.328 2.515 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC2(CCC(O)CC2)CC1 ZINC000295869701 295389273 /nfs/dbraw/zinc/38/92/73/295389273.db2.gz USYSJKSNZFZEDM-UHFFFAOYSA-N 0 0 348.399 2.517 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC2(CCC(O)CC2)CC1 ZINC000295890784 295392304 /nfs/dbraw/zinc/39/23/04/295392304.db2.gz WPBKQSVHNKZSFM-UHFFFAOYSA-N 0 0 348.399 2.517 10 5 EFBERN Cc1cccnc1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000296026349 295413725 /nfs/dbraw/zinc/41/37/25/295413725.db2.gz LYQGSEVJQKBZQN-UHFFFAOYSA-N 0 0 331.397 2.749 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000355935804 297240087 /nfs/dbraw/zinc/24/00/87/297240087.db2.gz FMHKXBUHSBJPQZ-IJLUTSLNSA-N 0 0 334.372 2.873 10 5 EFBERN C[C@@H]1C[C@@]2(CCO1)CN(c1c3c(ccc1[N+](=O)[O-])NCC3)C[C@H](C)O2 ZINC000373772327 297317867 /nfs/dbraw/zinc/31/78/67/297317867.db2.gz PQICAXLXVMABAK-VBHSOAQHSA-N 0 0 347.415 2.726 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000058198038 304568307 /nfs/dbraw/zinc/56/83/07/304568307.db2.gz DAJZLCYSJTVSHL-OLZOCXBDSA-N 0 0 336.413 2.722 10 5 EFBERN C[C@H](NC(=O)CCNC(=O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000341270541 299045073 /nfs/dbraw/zinc/04/50/73/299045073.db2.gz XPJQELBGAMHZSS-NSHDSACASA-N 0 0 347.396 2.654 10 5 EFBERN C[C@H]1CCO[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000089930061 300013842 /nfs/dbraw/zinc/01/38/42/300013842.db2.gz YCKLJGGDKUGVKN-GXFFZTMASA-N 0 0 346.305 2.911 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCc2c(N)cccc21 ZINC000261970246 301013669 /nfs/dbraw/zinc/01/36/69/301013669.db2.gz YYARQVRVZXCTIQ-UHFFFAOYSA-N 0 0 347.396 2.627 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1 ZINC000359102546 301204113 /nfs/dbraw/zinc/20/41/13/301204113.db2.gz SEBXBLYOGPACJR-NSHDSACASA-N 0 0 332.326 2.679 10 5 EFBERN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000456856937 301325445 /nfs/dbraw/zinc/32/54/45/301325445.db2.gz SBEPMNSINOQIAV-CYBMUJFWSA-N 0 0 332.335 2.753 10 5 EFBERN Cc1ccc(NCCCNC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000425674871 301646935 /nfs/dbraw/zinc/64/69/35/301646935.db2.gz AAJSTXXRHGZGIM-BTTYYORXSA-N 0 0 332.404 2.803 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1ccco1)C1CC1 ZINC000044937118 302042402 /nfs/dbraw/zinc/04/24/02/302042402.db2.gz PYWQKMXHSCIHNQ-UHFFFAOYSA-N 0 0 336.369 2.850 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000337030787 302042927 /nfs/dbraw/zinc/04/29/27/302042927.db2.gz DJBUABSJDXMMHP-NSHDSACASA-N 0 0 334.344 2.712 10 5 EFBERN Cc1nc([C@H]2CCCCN2c2nc3sccn3c2[N+](=O)[O-])no1 ZINC000363108516 302641194 /nfs/dbraw/zinc/64/11/94/302641194.db2.gz FKUJYWJDWNRLOE-SECBINFHSA-N 0 0 334.361 2.727 10 5 EFBERN Cn1cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080770131 302971752 /nfs/dbraw/zinc/97/17/52/302971752.db2.gz ZNRXIDHGCAMBNI-AWEZNQCLSA-N 0 0 349.412 2.849 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]([C@H]4CCOC4)C3)c21 ZINC000347415870 304807067 /nfs/dbraw/zinc/80/70/67/304807067.db2.gz OORPOIFFNZUYFL-STQMWFEESA-N 0 0 328.372 2.791 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCCC[C@H]1CCCC[C@@H]1O ZINC000134630372 310644487 /nfs/dbraw/zinc/64/44/87/310644487.db2.gz PQIYCQQATWUMIX-PBHICJAKSA-N 0 0 349.431 2.844 10 5 EFBERN CC(=O)c1cnc(NC(=O)CSc2ccccc2[N+](=O)[O-])s1 ZINC000135445037 310655088 /nfs/dbraw/zinc/65/50/88/310655088.db2.gz XEONUMBPKAUNAR-UHFFFAOYSA-N 0 0 337.382 2.985 10 5 EFBERN Cc1cc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1F ZINC000151465373 310683156 /nfs/dbraw/zinc/68/31/56/310683156.db2.gz IABFVAOXVUFIRM-UHFFFAOYSA-N 0 0 338.360 2.662 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000159956329 310693348 /nfs/dbraw/zinc/69/33/48/310693348.db2.gz HVPKKLGDSADLRT-SNVBAGLBSA-N 0 0 345.377 2.620 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000160053549 310694560 /nfs/dbraw/zinc/69/45/60/310694560.db2.gz 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ZINC000301690487 311152539 /nfs/dbraw/zinc/15/25/39/311152539.db2.gz KAQLXXASNJFJKR-OIRASMEMSA-N 0 0 348.428 2.929 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](O)C(C)(C)C)cc1Cl ZINC000301695477 311152660 /nfs/dbraw/zinc/15/26/60/311152660.db2.gz YOBPPQDFUBRRJA-GFCCVEGCSA-N 0 0 330.768 2.854 10 5 EFBERN COc1cccc(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000301700185 311153469 /nfs/dbraw/zinc/15/34/69/311153469.db2.gz SARYEQYYYLKGEV-UHFFFAOYSA-N 0 0 343.339 2.589 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCO[C@H](c3cccc(O)c3)C2)c(Cl)c1 ZINC000301731017 311155435 /nfs/dbraw/zinc/15/54/35/311155435.db2.gz SKAGMYYLMQBQFK-AWEZNQCLSA-N 0 0 335.747 2.927 10 5 EFBERN COC(=O)c1cc(N2CC[C@@H]3OCCC[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000301741728 311155846 /nfs/dbraw/zinc/15/58/46/311155846.db2.gz YGBBUCATYRNPEQ-DOMZBBRYSA-N 0 0 334.372 2.695 10 5 EFBERN NC(=O)[C@H]1CCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301766188 311157375 /nfs/dbraw/zinc/15/73/75/311157375.db2.gz HJHFXJQNBIOBMW-JSGCOSHPSA-N 0 0 328.372 2.989 10 5 EFBERN COc1cc(N[C@H]2CCN(c3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000301787590 311158137 /nfs/dbraw/zinc/15/81/37/311158137.db2.gz XERMJTCDXNSRJC-NSHDSACASA-N 0 0 332.335 2.828 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3cn4cc(Cl)ccc4n3)nn21 ZINC000301831468 311161401 /nfs/dbraw/zinc/16/14/01/311161401.db2.gz IJTPBDYFENZJFL-UHFFFAOYSA-N 0 0 343.734 2.551 10 5 EFBERN CC[C@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000301852445 311162524 /nfs/dbraw/zinc/16/25/24/311162524.db2.gz AVIQCUHYYXHOIK-JTQLQIEISA-N 0 0 347.337 2.908 10 5 EFBERN NC(=O)C[C@H]1CCCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000301851317 311162625 /nfs/dbraw/zinc/16/26/25/311162625.db2.gz FUHNVCDMGJETMG-SNVBAGLBSA-N 0 0 342.193 2.592 10 5 EFBERN Cc1cccc(C)c1OCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301865915 311163402 /nfs/dbraw/zinc/16/34/02/311163402.db2.gz BLKMHLHWMWDUHS-UHFFFAOYSA-N 0 0 327.344 2.745 10 5 EFBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CCN1CC(F)F ZINC000301863839 311163473 /nfs/dbraw/zinc/16/34/73/311163473.db2.gz FIRUVAIFPZTTAC-NSHDSACASA-N 0 0 329.347 2.769 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301863762 311163569 /nfs/dbraw/zinc/16/35/69/311163569.db2.gz GDXHGACJFGSEBO-UHFFFAOYSA-N 0 0 344.400 2.609 10 5 EFBERN CO[C@@H]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000301876607 311164322 /nfs/dbraw/zinc/16/43/22/311164322.db2.gz YKGCWZUGQDAMRV-PJSAGSTRSA-N 0 0 343.383 2.916 10 5 EFBERN COc1cccc(F)c1[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301877471 311164324 /nfs/dbraw/zinc/16/43/24/311164324.db2.gz NODPWEZJLUMIJI-SECBINFHSA-N 0 0 331.307 2.958 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1(c2ccccc2Cl)CC1 ZINC000301883903 311164516 /nfs/dbraw/zinc/16/45/16/311164516.db2.gz JHTKNTUSPOKXOH-UHFFFAOYSA-N 0 0 346.774 2.886 10 5 EFBERN COc1cc(NCc2ccnc(O[C@@H]3CCOC3)c2)ccc1[N+](=O)[O-] ZINC000301888731 311164878 /nfs/dbraw/zinc/16/48/78/311164878.db2.gz NDACSSGAXGEEBF-CQSZACIVSA-N 0 0 345.355 2.778 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000301900896 311165807 /nfs/dbraw/zinc/16/58/07/311165807.db2.gz VCXAAOVEBAOVIS-ZDUSSCGKSA-N 0 0 333.319 2.909 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1NCc1ccnc(O[C@@H]2CCOC2)c1 ZINC000301907063 311166016 /nfs/dbraw/zinc/16/60/16/311166016.db2.gz ZNADXCWPAFARGZ-GFCCVEGCSA-N 0 0 333.319 2.909 10 5 EFBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N(C)c1ccccc1 ZINC000301917697 311166733 /nfs/dbraw/zinc/16/67/33/311166733.db2.gz JKTSJWHTFCIGPI-LBPRGKRZSA-N 0 0 326.360 2.574 10 5 EFBERN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](c2ccsc2)O1 ZINC000301924274 311167068 /nfs/dbraw/zinc/16/70/68/311167068.db2.gz GMPKAEBOQPLUAC-ZYHUDNBSSA-N 0 0 345.384 2.665 10 5 EFBERN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](c2ccsc2)O1 ZINC000301924270 311167144 /nfs/dbraw/zinc/16/71/44/311167144.db2.gz GMPKAEBOQPLUAC-JQWIXIFHSA-N 0 0 345.384 2.665 10 5 EFBERN Cc1nc(N[C@@H](C)Cn2ncc3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000301926786 311167188 /nfs/dbraw/zinc/16/71/88/311167188.db2.gz ZDXHZPKCZXAIJC-NSHDSACASA-N 0 0 339.355 2.509 10 5 EFBERN CCOc1cccc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301947608 311168195 /nfs/dbraw/zinc/16/81/95/311168195.db2.gz HOJUNLGISKPNEB-UHFFFAOYSA-N 0 0 327.344 2.691 10 5 EFBERN CCc1nn(C)c(N2CCCN(c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000301944692 311168246 /nfs/dbraw/zinc/16/82/46/311168246.db2.gz ZJQUXBXCQQEVGC-UHFFFAOYSA-N 0 0 343.431 2.916 10 5 EFBERN COc1ccc(O[C@@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301952808 311168510 /nfs/dbraw/zinc/16/85/10/311168510.db2.gz CKMGADOLJXHUHF-NSHDSACASA-N 0 0 343.343 2.526 10 5 EFBERN CC(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccnc1 ZINC000301954984 311168623 /nfs/dbraw/zinc/16/86/23/311168623.db2.gz KLDXFNIWBHEYRS-CYBMUJFWSA-N 0 0 326.360 2.884 10 5 EFBERN Cc1ccc(O[C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301964553 311169076 /nfs/dbraw/zinc/16/90/76/311169076.db2.gz JOGGSAVRHPIYPZ-GFCCVEGCSA-N 0 0 327.344 2.825 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCSC4(CCCCC4)C3)nn21 ZINC000301965480 311169267 /nfs/dbraw/zinc/16/92/67/311169267.db2.gz NZKZLPMNNBLEEP-UHFFFAOYSA-N 0 0 333.417 2.894 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCOC4(CCCCC4)C3)nn21 ZINC000301975113 311169782 /nfs/dbraw/zinc/16/97/82/311169782.db2.gz VRUWIZZPFPIXCU-GFCCVEGCSA-N 0 0 331.376 2.931 10 5 EFBERN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1-n1cccn1 ZINC000301975638 311169853 /nfs/dbraw/zinc/16/98/53/311169853.db2.gz VWPYWTYLZHIEIY-GFCCVEGCSA-N 0 0 349.354 2.996 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3coc(-c4ccccc4)n3)nn21 ZINC000301991274 311170609 /nfs/dbraw/zinc/17/06/09/311170609.db2.gz MOPCPVWXQPEUPU-UHFFFAOYSA-N 0 0 336.311 2.905 10 5 EFBERN COc1ccccc1O[C@H](C)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302005932 311171731 /nfs/dbraw/zinc/17/17/31/311171731.db2.gz TVSOTPXKHWJWMJ-LLVKDONJSA-N 0 0 343.343 2.526 10 5 EFBERN C[C@]1(c2ccccc2)CN(c2cc(CO)ccc2[N+](=O)[O-])CCO1 ZINC000302025179 311173161 /nfs/dbraw/zinc/17/31/61/311173161.db2.gz HMFXLLOOCRCKHN-GOSISDBHSA-N 0 0 328.368 2.839 10 5 EFBERN CC(C)c1nc2c(n1C)CCN(c1cc(CO)ccc1[N+](=O)[O-])C2 ZINC000302029442 311173361 /nfs/dbraw/zinc/17/33/61/311173361.db2.gz JHVRPGJIOIKLAO-UHFFFAOYSA-N 0 0 330.388 2.507 10 5 EFBERN CS(=O)(=O)c1ccc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000302029700 311173542 /nfs/dbraw/zinc/17/35/42/311173542.db2.gz ROCDTRCWMVUHOD-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN Cc1nc2c(s1)[C@H](Nc1ccc3ncc([N+](=O)[O-])n3n1)CCC2 ZINC000302038949 311173916 /nfs/dbraw/zinc/17/39/16/311173916.db2.gz QNGXRTTUSBASHA-SNVBAGLBSA-N 0 0 330.373 2.892 10 5 EFBERN CC[S@](=O)[C@H]1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302041077 311174096 /nfs/dbraw/zinc/17/40/96/311174096.db2.gz NPQNTASWLRXODC-MZFXBISCSA-N 0 0 326.418 2.579 10 5 EFBERN CCc1nccn1[C@@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302039881 311174158 /nfs/dbraw/zinc/17/41/58/311174158.db2.gz NGOFLVLPFJHKMF-CQSZACIVSA-N 0 0 330.388 2.688 10 5 EFBERN C[C@@H](Nc1cc(CO)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000302055702 311175097 /nfs/dbraw/zinc/17/50/97/311175097.db2.gz QLCLTJSWSKPLNO-GFCCVEGCSA-N 0 0 339.355 2.841 10 5 EFBERN O=C1C[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])c2ccccc2N1 ZINC000302056271 311175228 /nfs/dbraw/zinc/17/52/28/311175228.db2.gz QNZZEQZNWHJZEA-GFCCVEGCSA-N 0 0 327.340 2.625 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CC(=O)N3)c1 ZINC000302081172 311176821 /nfs/dbraw/zinc/17/68/21/311176821.db2.gz JDPLWEMJQNFXGA-UHFFFAOYSA-N 0 0 327.296 2.620 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cn3ccccc3n2)c1 ZINC000302098624 311177751 /nfs/dbraw/zinc/17/77/51/311177751.db2.gz PAMIKZHYHRMGDF-UHFFFAOYSA-N 0 0 340.339 2.684 10 5 EFBERN COc1ccc(OC)c([C@H]2CCCN2c2ncc([N+](=O)[O-])cn2)c1 ZINC000302102022 311177883 /nfs/dbraw/zinc/17/78/83/311177883.db2.gz LQLFARBZJLKEDE-CQSZACIVSA-N 0 0 330.344 2.744 10 5 EFBERN O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1cccnc1 ZINC000302115593 311178458 /nfs/dbraw/zinc/17/84/58/311178458.db2.gz BXMKAIVBWKEMGA-AWEZNQCLSA-N 0 0 330.319 2.736 10 5 EFBERN CN(C[C@@H]1CC=CCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302120582 311178696 /nfs/dbraw/zinc/17/86/96/311178696.db2.gz DIIXOPQJBOGMAE-SNVBAGLBSA-N 0 0 330.431 2.852 10 5 EFBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1cc(OC)cc(F)c1[N+](=O)[O-])C2 ZINC000302133971 311179522 /nfs/dbraw/zinc/17/95/22/311179522.db2.gz CQULHNYAAZOQMO-QLJPJBMISA-N 0 0 338.335 2.522 10 5 EFBERN Cc1cnc([C@@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000302132223 311179567 /nfs/dbraw/zinc/17/95/67/311179567.db2.gz KTQXNGYMZHNADN-QMMMGPOBSA-N 0 0 348.384 2.906 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000302136023 311179619 /nfs/dbraw/zinc/17/96/19/311179619.db2.gz DEKUASVZYHNZQP-GUYCJALGSA-N 0 0 334.372 2.521 10 5 EFBERN CCOc1cc(NCCc2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000302144686 311180334 /nfs/dbraw/zinc/18/03/34/311180334.db2.gz QODHAFHWUQDOOE-UHFFFAOYSA-N 0 0 331.376 2.576 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NC3Cc4ccccc4C3)cc2N1 ZINC000302148107 311180390 /nfs/dbraw/zinc/18/03/90/311180390.db2.gz KIQRTKAONLPGFY-UHFFFAOYSA-N 0 0 325.324 2.505 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3ccco3)C2)c1 ZINC000302157968 311181417 /nfs/dbraw/zinc/18/14/17/311181417.db2.gz JBHLAOGGCMEAGJ-OAHLLOKOSA-N 0 0 332.312 2.552 10 5 EFBERN Cc1noc(C)c1CO[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000302178087 311182692 /nfs/dbraw/zinc/18/26/92/311182692.db2.gz XBAWYNAHTARPJE-ZDUSSCGKSA-N 0 0 332.360 2.699 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000302195963 311183884 /nfs/dbraw/zinc/18/38/84/311183884.db2.gz SNYJILCBMJPWLL-CXAGYDPISA-N 0 0 334.372 2.513 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H](CO)c2ccsc2)c(Br)c1 ZINC000302234738 311186416 /nfs/dbraw/zinc/18/64/16/311186416.db2.gz DSXOXFMHFSVBQL-JTQLQIEISA-N 0 0 344.190 2.959 10 5 EFBERN CC(C)NC(=O)c1ccc(N[C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000302247869 311187065 /nfs/dbraw/zinc/18/70/65/311187065.db2.gz LIASCTVPJXNWPT-CQSZACIVSA-N 0 0 349.412 2.940 10 5 EFBERN CC(C)NC(=O)c1ccc(N[C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000302247867 311187070 /nfs/dbraw/zinc/18/70/70/311187070.db2.gz LIASCTVPJXNWPT-AWEZNQCLSA-N 0 0 349.412 2.940 10 5 EFBERN COC(=O)c1cc(N[C@@H](CO)c2ccsc2)cc(C)c1[N+](=O)[O-] ZINC000302285738 311187867 /nfs/dbraw/zinc/18/78/67/311187867.db2.gz VNYYBIPTDDNXDR-ZDUSSCGKSA-N 0 0 336.369 2.897 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCOCC3(CCCC3)C2)c1 ZINC000302343516 311188425 /nfs/dbraw/zinc/18/84/25/311188425.db2.gz CANWEVHBFNVNLV-UHFFFAOYSA-N 0 0 334.372 2.778 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Cl)c1 ZINC000302435379 311189918 /nfs/dbraw/zinc/18/99/18/311189918.db2.gz PLJLGDKTHCVLIT-UHFFFAOYSA-N 0 0 348.794 2.570 10 5 EFBERN CC1(C)CCC[C@@](O)(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000302518414 311192357 /nfs/dbraw/zinc/19/23/57/311192357.db2.gz WMTPTJIJUDASML-KRWDZBQOSA-N 0 0 349.387 2.669 10 5 EFBERN CCO[C@@H]1C[C@](O)(CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1(C)C ZINC000302669179 311195820 /nfs/dbraw/zinc/19/58/20/311195820.db2.gz CXOYLKMPXXYHCU-CJNGLKHVSA-N 0 0 342.367 2.721 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302679951 311196271 /nfs/dbraw/zinc/19/62/71/311196271.db2.gz OMPWOXJGDHWASC-UTUOFQBUSA-N 0 0 326.418 2.869 10 5 EFBERN CCc1n[nH]c(C2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000302709189 311197424 /nfs/dbraw/zinc/19/74/24/311197424.db2.gz KFEUCSOGVFXOFS-UHFFFAOYSA-N 0 0 343.387 2.862 10 5 EFBERN C[C@](O)(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CCCCC1 ZINC000302741140 311198725 /nfs/dbraw/zinc/19/87/25/311198725.db2.gz ZBSOCXCXLYSQDH-KRWDZBQOSA-N 0 0 346.387 2.987 10 5 EFBERN CCO[C@@H]1C[C@@](O)(CNc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000302744356 311199058 /nfs/dbraw/zinc/19/90/58/311199058.db2.gz FABOZJBTSXJVCJ-GDBMZVCRSA-N 0 0 342.367 2.721 10 5 EFBERN COC(=O)c1cnc(N2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000302757648 311199415 /nfs/dbraw/zinc/19/94/15/311199415.db2.gz JDZRKUSSGGOOMH-JTQLQIEISA-N 0 0 348.384 2.617 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)N(C)C)CC1 ZINC000302784018 311200963 /nfs/dbraw/zinc/20/09/63/311200963.db2.gz UJZHNKOOEQDSDI-UHFFFAOYSA-N 0 0 325.796 2.861 10 5 EFBERN O=C(C1CCCCC1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302788779 311201388 /nfs/dbraw/zinc/20/13/88/311201388.db2.gz CUVVFDSSJFGRRG-UHFFFAOYSA-N 0 0 335.379 2.963 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000302816816 311202478 /nfs/dbraw/zinc/20/24/78/311202478.db2.gz INRNBMWDYMSTAV-SWLSCSKDSA-N 0 0 339.823 2.714 10 5 EFBERN COCCc1nsc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000302831000 311203618 /nfs/dbraw/zinc/20/36/18/311203618.db2.gz QMLDRRFIWNSLDY-UHFFFAOYSA-N 0 0 332.341 2.976 10 5 EFBERN COc1ccc(OC)c2c1CN(c1cc(F)ccc1[N+](=O)[O-])C[C@H]2O ZINC000302846437 311204073 /nfs/dbraw/zinc/20/40/73/311204073.db2.gz GQSCGMOIQMKRCV-CQSZACIVSA-N 0 0 348.330 2.805 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCN(C[C@H](O)COCc1cccs1)C2 ZINC000305445419 311223183 /nfs/dbraw/zinc/22/31/83/311223183.db2.gz PBACWKOYHVSMPB-AWEZNQCLSA-N 0 0 348.424 2.592 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCN(C[C@@H](O)COc1ccc(F)cc1)C2 ZINC000305473288 311223464 /nfs/dbraw/zinc/22/34/64/311223464.db2.gz YSKKWFOYBUSADP-OAHLLOKOSA-N 0 0 346.358 2.532 10 5 EFBERN Cn1cnc(CCNc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000313457251 311232711 /nfs/dbraw/zinc/23/27/11/311232711.db2.gz ZSJWHWWXVZNYJG-UHFFFAOYSA-N 0 0 325.166 2.745 10 5 EFBERN COc1cc(C(=O)N2CCCC[C@H]2C(F)F)c([N+](=O)[O-])cc1OC ZINC000330406151 311316860 /nfs/dbraw/zinc/31/68/60/311316860.db2.gz NWZVALXXKHUIIV-JTQLQIEISA-N 0 0 344.314 2.872 10 5 EFBERN O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H]1CCC(F)(F)C1 ZINC000330454378 311318536 /nfs/dbraw/zinc/31/85/36/311318536.db2.gz MPJKMAYGJHUAKM-SSDOTTSWSA-N 0 0 337.120 2.954 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330719076 311330929 /nfs/dbraw/zinc/33/09/29/311330929.db2.gz WBBCKNPSMXDVLS-KCXAZCMYSA-N 0 0 349.431 2.651 10 5 EFBERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330774493 311334422 /nfs/dbraw/zinc/33/44/22/311334422.db2.gz YDURHHDMAIAOGB-ZDUSSCGKSA-N 0 0 347.415 2.608 10 5 EFBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330863278 311339737 /nfs/dbraw/zinc/33/97/37/311339737.db2.gz MTJCWNDXWCDHPA-UGSOOPFHSA-N 0 0 334.416 2.831 10 5 EFBERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330881243 311340752 /nfs/dbraw/zinc/34/07/52/311340752.db2.gz ZABXXHCJGQQCRY-FZKQIMNGSA-N 0 0 334.416 2.831 10 5 EFBERN CC[C@]1(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000330980118 311347113 /nfs/dbraw/zinc/34/71/13/311347113.db2.gz IXGYANUBVQNUDM-OAHLLOKOSA-N 0 0 344.314 2.837 10 5 EFBERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331159293 311357975 /nfs/dbraw/zinc/35/79/75/311357975.db2.gz WOPZWIJOQHDJPR-BDAKNGLRSA-N 0 0 341.314 2.578 10 5 EFBERN CC[C@H]1[C@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000331339906 311367844 /nfs/dbraw/zinc/36/78/44/311367844.db2.gz RZHBRHYZFLZUAT-ZANVPECISA-N 0 0 346.305 2.847 10 5 EFBERN C[C@H](O)C(C)(C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000334037072 311691435 /nfs/dbraw/zinc/69/14/35/311691435.db2.gz QLLQTQOUIDUGKQ-STQMWFEESA-N 0 0 349.431 2.720 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000343984392 311730837 /nfs/dbraw/zinc/73/08/37/311730837.db2.gz PESVMOYZPYIHGP-LBPRGKRZSA-N 0 0 326.418 2.793 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@H](CCC(C)(C)C)C1=O ZINC000349380186 311769693 /nfs/dbraw/zinc/76/96/93/311769693.db2.gz CVXQUFKLEAAGNF-CYBMUJFWSA-N 0 0 349.387 2.850 10 5 EFBERN C[C@@H]1COCC[C@@H]1c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000350326191 311794084 /nfs/dbraw/zinc/79/40/84/311794084.db2.gz VZKLTCGYKZLXPH-KOLCDFICSA-N 0 0 347.327 2.556 10 5 EFBERN COc1cc(OCc2nc([C@H]3CCOC[C@H]3C)no2)ccc1[N+](=O)[O-] ZINC000350583666 311809773 /nfs/dbraw/zinc/80/97/73/311809773.db2.gz CCQOONVBCSPPGU-PWSUYJOCSA-N 0 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CCOC(=O)c1ccnc(NCC2(CO)CC3(CCC3)C2)c1[N+](=O)[O-] ZINC000432831345 312584970 /nfs/dbraw/zinc/58/49/70/312584970.db2.gz JFWNRJKCOFQDFD-UHFFFAOYSA-N 0 0 349.387 2.521 10 5 EFBERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccc([N+](=O)[O-])cc1C ZINC000433029483 312591766 /nfs/dbraw/zinc/59/17/66/312591766.db2.gz BQTCOLQPABXXMO-QGZVFWFLSA-N 0 0 343.383 2.562 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CC(F)(F)F)C2)s1 ZINC000434780672 312601723 /nfs/dbraw/zinc/60/17/23/312601723.db2.gz ZPCIYJVTGIDHIP-SSDOTTSWSA-N 0 0 344.336 2.619 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000438405303 312616935 /nfs/dbraw/zinc/61/69/35/312616935.db2.gz WLYAUKLBNYLYRP-IJLUTSLNSA-N 0 0 333.388 2.807 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439292831 312639057 /nfs/dbraw/zinc/63/90/57/312639057.db2.gz FAHJTDLOSUNLAF-QWHCGFSZSA-N 0 0 349.387 2.884 10 5 EFBERN CCC1(CC)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000447161580 312671120 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CN(CCOc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633762 317293941 /nfs/dbraw/zinc/29/39/41/317293941.db2.gz MRDOOUBGHGGEAU-UHFFFAOYSA-N 0 0 335.747 2.794 10 5 EFBERN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633609 317294047 /nfs/dbraw/zinc/29/40/47/317294047.db2.gz IRZNMKBDNRGSSA-OAHLLOKOSA-N 0 0 344.371 2.540 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(-n2cccn2)c1 ZINC000531631943 317294147 /nfs/dbraw/zinc/29/41/47/317294147.db2.gz QNULUQNPDPTOSZ-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN O=C(NCCc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531633673 317294215 /nfs/dbraw/zinc/29/42/15/317294215.db2.gz VPCOEDSXCLIIBP-UHFFFAOYSA-N 0 0 337.282 2.564 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000531880862 317326603 /nfs/dbraw/zinc/32/66/03/317326603.db2.gz KGFRRBHIZPAKKY-INIZCTEOSA-N 0 0 341.367 2.811 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000531882989 317327389 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ZINC000540944030 317760940 /nfs/dbraw/zinc/76/09/40/317760940.db2.gz FLWVCJHAEPPVGH-ZDUSSCGKSA-N 0 0 327.340 2.531 10 5 EFBERN CNc1ccc(C(=O)Nc2ccc(OCCO)c(C)c2)cc1[N+](=O)[O-] ZINC000541165890 317769255 /nfs/dbraw/zinc/76/92/55/317769255.db2.gz DTTUOXUQKAIMSA-UHFFFAOYSA-N 0 0 345.355 2.568 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(CCc3cccc(F)c3F)CC2)cn1 ZINC000541281831 317771968 /nfs/dbraw/zinc/77/19/68/317771968.db2.gz FYXDWWFKBKNYOM-UHFFFAOYSA-N 0 0 348.353 2.633 10 5 EFBERN C[C@@H](NC(=O)Cn1cnc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000541775629 317789762 /nfs/dbraw/zinc/78/97/62/317789762.db2.gz ZSYHZPUAFIHTBS-GFCCVEGCSA-N 0 0 328.372 2.548 10 5 EFBERN Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000542207403 317806085 /nfs/dbraw/zinc/80/60/85/317806085.db2.gz CJOREKDMOKLEPR-UHFFFAOYSA-N 0 0 331.376 2.618 10 5 EFBERN CNc1ccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000544602622 317891381 /nfs/dbraw/zinc/89/13/81/317891381.db2.gz RYQKRFQOEQAXPP-LBPRGKRZSA-N 0 0 333.388 2.668 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EFBERN COC(=O)c1cc(C)nc(NC/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000557568742 318441610 /nfs/dbraw/zinc/44/16/10/318441610.db2.gz HGORIHICQTWEFG-TWGQIWQCSA-N 0 0 327.340 2.632 10 5 EFBERN Cn1ccnc1[C@@H](NCCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000560546532 318564614 /nfs/dbraw/zinc/56/46/14/318564614.db2.gz VBPUVXJPSOJOHF-HNNXBMFYSA-N 0 0 332.404 2.822 10 5 EFBERN CCc1nc(C)c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000560748800 318573904 /nfs/dbraw/zinc/57/39/04/318573904.db2.gz GXKUTBJBIMHWAG-UHFFFAOYSA-N 0 0 342.355 2.907 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000560795094 318575484 /nfs/dbraw/zinc/57/54/84/318575484.db2.gz AQPCXCNWRSXFAR-HNNXBMFYSA-N 0 0 336.388 2.618 10 5 EFBERN C[C@H]1C[C@H]1c1ccc(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)o1 ZINC000561128431 318588750 /nfs/dbraw/zinc/58/87/50/318588750.db2.gz DYKIBMFQTJBOQT-JOYOIKCWSA-N 0 0 340.339 2.994 10 5 EFBERN Cc1noc(C)c1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561771196 318613944 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C[C@H]1CSCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564635007 318875697 /nfs/dbraw/zinc/87/56/97/318875697.db2.gz LKCHOXMKDYZOAM-NSHDSACASA-N 0 0 348.428 2.766 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000564740702 318887492 /nfs/dbraw/zinc/88/74/92/318887492.db2.gz NHYUHGRXRHDMKQ-JMSVASOKSA-N 0 0 349.387 2.555 10 5 EFBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cscn1 ZINC000565418756 318968689 /nfs/dbraw/zinc/96/86/89/318968689.db2.gz FQHTUMWIORERCL-UHFFFAOYSA-N 0 0 327.387 2.657 10 5 EFBERN C[C@@H]1OCC[C@]12CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)C[C@@H](C)O2 ZINC000566148985 319040659 /nfs/dbraw/zinc/04/06/59/319040659.db2.gz JFDLHSIRGJFMAW-VBHSOAQHSA-N 0 0 347.415 2.641 10 5 EFBERN CC(C)(NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000566364449 319067516 /nfs/dbraw/zinc/06/75/16/319067516.db2.gz QWDNZZLXTBAAKD-UHFFFAOYSA-N 0 0 340.286 2.584 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000566483037 319082633 /nfs/dbraw/zinc/08/26/33/319082633.db2.gz SOMOYQXEZZDNNA-UWVGGRQHSA-N 0 0 334.294 2.601 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2cscn2)c1C ZINC000566493409 319083579 /nfs/dbraw/zinc/08/35/79/319083579.db2.gz QWJJKXCKVVEIOL-SNVBAGLBSA-N 0 0 341.414 2.708 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2cscn2)c1C ZINC000566493408 319083654 /nfs/dbraw/zinc/08/36/54/319083654.db2.gz QWJJKXCKVVEIOL-JTQLQIEISA-N 0 0 341.414 2.708 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000566570210 319091052 /nfs/dbraw/zinc/09/10/52/319091052.db2.gz MBSNLAIDDMXSQA-OUCADQQQSA-N 0 0 334.420 2.644 10 5 EFBERN COC(=O)c1cc(N2CCCO[C@@H](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000566632574 319096886 /nfs/dbraw/zinc/09/68/86/319096886.db2.gz COQDBOOUJMZEBM-OAHLLOKOSA-N 0 0 336.388 2.941 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCC[C@H]1C(F)F ZINC000566666048 319099596 /nfs/dbraw/zinc/09/95/96/319099596.db2.gz NKYKAPBQNLTFAQ-NSHDSACASA-N 0 0 342.298 2.626 10 5 EFBERN CC1(C)C[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566701239 319102825 /nfs/dbraw/zinc/10/28/25/319102825.db2.gz YEAPOWSSBRZTGM-GFCCVEGCSA-N 0 0 330.388 2.964 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NCCCOC[C@@H]1CCCO1)CCCC2 ZINC000566970240 319126885 /nfs/dbraw/zinc/12/68/85/319126885.db2.gz ISGJUNPBLUSWBT-AWEZNQCLSA-N 0 0 335.404 2.866 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@]2(CCSC2)C1 ZINC000567051633 319133869 /nfs/dbraw/zinc/13/38/69/319133869.db2.gz WBSVESBYFDRTGB-CQSZACIVSA-N 0 0 342.804 2.596 10 5 EFBERN COc1ccc(CNC(=O)[C@H]2CCc3cccc(O)c32)cc1[N+](=O)[O-] ZINC000567210735 319148423 /nfs/dbraw/zinc/14/84/23/319148423.db2.gz XBROHFIWEOBQAU-ZDUSSCGKSA-N 0 0 342.351 2.655 10 5 EFBERN CCC[C@@H](C)[C@H](CO)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000567359976 319164454 /nfs/dbraw/zinc/16/44/54/319164454.db2.gz IBSHKHSKULMGKD-KGLIPLIRSA-N 0 0 338.404 2.585 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000567406356 319168368 /nfs/dbraw/zinc/16/83/68/319168368.db2.gz IXDMXJIKJVNPJK-ABAIWWIYSA-N 0 0 332.360 2.669 10 5 EFBERN CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nn1 ZINC000567448630 319171836 /nfs/dbraw/zinc/17/18/36/319171836.db2.gz LKVRNQKDZBCFOB-UHFFFAOYSA-N 0 0 340.261 2.609 10 5 EFBERN CC1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC(=O)CC1 ZINC000567455941 319172993 /nfs/dbraw/zinc/17/29/93/319172993.db2.gz XZNFTNZSNKNKKE-UHFFFAOYSA-N 0 0 343.383 2.884 10 5 EFBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000567584246 319185216 /nfs/dbraw/zinc/18/52/16/319185216.db2.gz IVWMSINEZSHXGO-OAHLLOKOSA-N 0 0 342.417 2.566 10 5 EFBERN C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC2(CCOCC2)O1 ZINC000567750226 319207596 /nfs/dbraw/zinc/20/75/96/319207596.db2.gz NEMNGNJRGHNOPI-ZDUSSCGKSA-N 0 0 347.415 2.643 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCC(O[C@H]3CCOC3)CC1)CCCC2 ZINC000567894463 319223131 /nfs/dbraw/zinc/22/31/31/319223131.db2.gz YXSXKDUSSIICGD-HNNXBMFYSA-N 0 0 347.415 2.643 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3nnc4n3CCC4)C2)n1 ZINC000567948018 319229590 /nfs/dbraw/zinc/22/95/90/319229590.db2.gz GEAIWXHVRBHEDV-ZDUSSCGKSA-N 0 0 342.403 2.528 10 5 EFBERN C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@]2(CCCOC2)O1 ZINC000568081359 319244740 /nfs/dbraw/zinc/24/47/40/319244740.db2.gz BYQSOFFXYZZFEI-SCLBCKFNSA-N 0 0 347.415 2.643 10 5 EFBERN Cc1nscc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568573058 319295242 /nfs/dbraw/zinc/29/52/42/319295242.db2.gz LLXKPIODGCLMPL-UHFFFAOYSA-N 0 0 330.369 2.814 10 5 EFBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC(C(F)(F)F)C1 ZINC000568714835 319310070 /nfs/dbraw/zinc/31/00/70/319310070.db2.gz DOBCNEJJKIXCFL-UHFFFAOYSA-N 0 0 340.204 2.831 10 5 EFBERN COC(=O)[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000571132832 319544233 /nfs/dbraw/zinc/54/42/33/319544233.db2.gz IEVANKCLIBDIRW-GFCCVEGCSA-N 0 0 332.278 2.655 10 5 EFBERN C[C@H]1CCn2ncc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2C1 ZINC000571168039 319548361 /nfs/dbraw/zinc/54/83/61/319548361.db2.gz YHOSSBCQQIRCAT-LBPRGKRZSA-N 0 0 340.383 2.572 10 5 EFBERN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000571256438 319555422 /nfs/dbraw/zinc/55/54/22/319555422.db2.gz WGPRHUPHJDBOFV-YVECIDJPSA-N 0 0 345.399 2.841 10 5 EFBERN Cc1c(NC(=O)N2CCO[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000571400999 319570588 /nfs/dbraw/zinc/57/05/88/319570588.db2.gz JZOHAQOACSWBFO-OAHLLOKOSA-N 0 0 337.401 2.643 10 5 EFBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000571501955 319579474 /nfs/dbraw/zinc/57/94/74/319579474.db2.gz PBDAGENFGHHJGE-DGCLKSJQSA-N 0 0 349.435 2.618 10 5 EFBERN O=C(c1cn2c(n1)CCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000572366349 319662829 /nfs/dbraw/zinc/66/28/29/319662829.db2.gz OZRZYCVRGJSKBU-CQSZACIVSA-N 0 0 340.383 2.757 10 5 EFBERN CC(C)(C)c1nc(CSc2ncc([N+](=O)[O-])c(N)n2)cs1 ZINC000572425000 319668914 /nfs/dbraw/zinc/66/89/14/319668914.db2.gz ZKDPOOFLDGYCEF-UHFFFAOYSA-N 0 0 325.419 2.844 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000573338103 319756884 /nfs/dbraw/zinc/75/68/84/319756884.db2.gz CXWLNJKBQVBYRC-KSSFIOAISA-N 0 0 346.358 2.908 10 5 EFBERN CC(C)Oc1nc(N2CCOC[C@@H]2CC(F)F)ccc1[N+](=O)[O-] ZINC000573695481 319791051 /nfs/dbraw/zinc/79/10/51/319791051.db2.gz AWNLRJGCMJITPZ-JTQLQIEISA-N 0 0 331.319 2.637 10 5 EFBERN CCC[C@H](C)[C@@H](CO)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000573972606 319816802 /nfs/dbraw/zinc/81/68/02/319816802.db2.gz BXHIFMJZDKKPRG-SWLSCSKDSA-N 0 0 337.420 2.942 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2c(OC)cccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000574531648 319871520 /nfs/dbraw/zinc/87/15/20/319871520.db2.gz TXLFISGCNHNANB-XFJVYGCCSA-N 0 0 332.360 2.631 10 5 EFBERN C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1C(=O)OC(C)(C)C ZINC000574634416 319879527 /nfs/dbraw/zinc/87/95/27/319879527.db2.gz RAHRADIGSZQZCS-VHSXEESVSA-N 0 0 327.406 2.855 10 5 EFBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)N1CCC[C@H]1C ZINC000574750878 319891069 /nfs/dbraw/zinc/89/10/69/319891069.db2.gz BLBGMURTVKAKFV-GFCCVEGCSA-N 0 0 327.406 2.540 10 5 EFBERN CCNC(=O)c1cccc(CNc2c(OC)cccc2[N+](=O)[O-])c1 ZINC000575099311 319924374 /nfs/dbraw/zinc/92/43/74/319924374.db2.gz QFYBYGDHUZASNI-UHFFFAOYSA-N 0 0 329.356 2.965 10 5 EFBERN Cc1ncc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000575350719 319942052 /nfs/dbraw/zinc/94/20/52/319942052.db2.gz YMVIINVBINSJEW-UHFFFAOYSA-N 0 0 327.344 2.621 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N[C@H]1c3ccccc3C[C@@H]1O)CCCC2 ZINC000575983979 319972329 /nfs/dbraw/zinc/97/23/29/319972329.db2.gz IMWVCZNBPLGYTG-IRXDYDNUSA-N 0 0 325.368 2.939 10 5 EFBERN COC(=O)c1ccc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000576060076 319979544 /nfs/dbraw/zinc/97/95/44/319979544.db2.gz QOJODIJWNGXKAX-GFCCVEGCSA-N 0 0 342.351 2.801 10 5 EFBERN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1C(=O)OC(C)(C)C ZINC000576510939 320021862 /nfs/dbraw/zinc/02/18/62/320021862.db2.gz AIXCZKXAYUMDAZ-BXUZGUMPSA-N 0 0 349.387 2.572 10 5 EFBERN CC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CC(F)F ZINC000576544597 320025283 /nfs/dbraw/zinc/02/52/83/320025283.db2.gz HKLQDKDVARXLHC-SNVBAGLBSA-N 0 0 339.346 2.637 10 5 EFBERN CCOCCO[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000576580487 320029190 /nfs/dbraw/zinc/02/91/90/320029190.db2.gz ZCDZKZRZCBMZDE-AWEZNQCLSA-N 0 0 335.404 2.500 10 5 EFBERN COc1c(C(=O)N2CC[C@H](c3cc(C)ccn3)C2)cccc1[N+](=O)[O-] ZINC000576957826 320064946 /nfs/dbraw/zinc/06/49/46/320064946.db2.gz SQWOSGNCESAUFL-ZDUSSCGKSA-N 0 0 341.367 2.937 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000577178716 320084884 /nfs/dbraw/zinc/08/48/84/320084884.db2.gz NGUJCOFRDWRPFC-FZMZJTMJSA-N 0 0 336.388 2.540 10 5 EFBERN COC(=O)c1cc(C)nc(N(C)CCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000577226459 320090635 /nfs/dbraw/zinc/09/06/35/320090635.db2.gz IYNLZQHYSJHALP-UHFFFAOYSA-N 0 0 347.346 2.903 10 5 EFBERN CC(C)OC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCO1 ZINC000577256186 320092575 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C[C@H](C(=O)NC[C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183096053 323316587 /nfs/dbraw/zinc/31/65/87/323316587.db2.gz KSAPULSYHWZDQG-JSGCOSHPSA-N 0 0 346.358 2.730 10 5 EFBERN COc1cc(C(=O)Nc2ncn(C3CCCCC3)n2)ccc1[N+](=O)[O-] ZINC000184899024 323377384 /nfs/dbraw/zinc/37/73/84/323377384.db2.gz ATZPTLKEROKCCE-UHFFFAOYSA-N 0 0 345.359 2.952 10 5 EFBERN C[C@@H](C(=O)NCc1cccnc1N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185006744 323380138 /nfs/dbraw/zinc/38/01/38/323380138.db2.gz MFTHQTQOKHKAGV-LLVKDONJSA-N 0 0 346.362 2.615 10 5 EFBERN CO[C@H]1CCC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000301774648 323713522 /nfs/dbraw/zinc/71/35/22/323713522.db2.gz KTUJFNZOBKQEKW-KBPBESRZSA-N 0 0 333.388 2.857 10 5 EFBERN C[C@@H](C(=O)NC[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000578828336 323815421 /nfs/dbraw/zinc/81/54/21/323815421.db2.gz IMHXWYOKKUVZGF-CJNGLKHVSA-N 0 0 328.368 2.591 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCc1cc(OC)c(O)c(OC)c1 ZINC000578905562 323840188 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Cc1c(C(=O)N[C@@H](C)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000172096779 473522788 /nfs/dbraw/zinc/52/27/88/473522788.db2.gz NWIQDNFZESYROM-NSHDSACASA-N 0 0 343.387 2.792 10 5 EFBERN Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000166554664 473527551 /nfs/dbraw/zinc/52/75/51/473527551.db2.gz BCEGUYWDFFCAIZ-LSDHHAIUSA-N 0 0 343.431 2.956 10 5 EFBERN Cc1cccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000166990954 473532669 /nfs/dbraw/zinc/53/26/69/473532669.db2.gz PFVZURVDIMZNAF-MRXNPFEDSA-N 0 0 326.356 2.979 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000152197941 473533941 /nfs/dbraw/zinc/53/39/41/473533941.db2.gz DNWJSMOBSMOBGK-JKSUJKDBSA-N 0 0 332.381 2.570 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccnc2ccncc21 ZINC000185892750 473540771 /nfs/dbraw/zinc/54/07/71/473540771.db2.gz CMICCTGAMZNYLX-UHFFFAOYSA-N 0 0 334.295 2.667 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(cccc3C)s2)n1 ZINC000191460085 473542006 /nfs/dbraw/zinc/54/20/06/473542006.db2.gz JZINNKJWBGGUSD-UHFFFAOYSA-N 0 0 331.357 2.982 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(cccc3OC)s2)n1 ZINC000191471537 473543427 /nfs/dbraw/zinc/54/34/27/473543427.db2.gz ZOLDSNLDPZPSDL-UHFFFAOYSA-N 0 0 347.356 2.682 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2N(C)C)n1 ZINC000191465865 473543614 /nfs/dbraw/zinc/54/36/14/473543614.db2.gz AARVZXWSZBFEHQ-UHFFFAOYSA-N 0 0 337.767 2.783 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000191477608 473544460 /nfs/dbraw/zinc/54/44/60/473544460.db2.gz BPPIITPVCKOXOC-UHFFFAOYSA-N 0 0 344.346 2.880 10 5 EFBERN C[C@@H]1CC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000178720337 473547358 /nfs/dbraw/zinc/54/73/58/473547358.db2.gz NQPGKKCWGLWOHA-RYUDHWBXSA-N 0 0 326.418 2.839 10 5 EFBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000126842985 473551240 /nfs/dbraw/zinc/55/12/40/473551240.db2.gz GVFWSDRAPNPRLV-CYBMUJFWSA-N 0 0 347.758 2.937 10 5 EFBERN Cc1c(CC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000178748659 473553069 /nfs/dbraw/zinc/55/30/69/473553069.db2.gz NZWHOHDDGRRIBJ-AWEZNQCLSA-N 0 0 348.399 2.636 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCCc2ccc(OC)cc2)n1 ZINC000191565982 473555384 /nfs/dbraw/zinc/55/53/84/473555384.db2.gz CHEKPIRXPZRQCB-UHFFFAOYSA-N 0 0 346.387 2.525 10 5 EFBERN CC[C@@H](N[C@H](C(=O)OC)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152384486 473556273 /nfs/dbraw/zinc/55/62/73/473556273.db2.gz IMCJUOYCXBJLBI-CVEARBPZSA-N 0 0 329.356 2.945 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2ccc(Cl)cc2)n1 ZINC000191586130 473557341 /nfs/dbraw/zinc/55/73/41/473557341.db2.gz WOGTYGRGDGOHMU-UHFFFAOYSA-N 0 0 336.779 2.827 10 5 EFBERN C[C@@H](Nc1ccc(CNS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000170592786 473558466 /nfs/dbraw/zinc/55/84/66/473558466.db2.gz FBZSDWRWSKEHKT-GFCCVEGCSA-N 0 0 349.412 2.817 10 5 EFBERN Cc1cnn([C@@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000152433981 473562234 /nfs/dbraw/zinc/56/22/34/473562234.db2.gz CGKOFUSYRGDNIN-QGZVFWFLSA-N 0 0 342.399 2.896 10 5 EFBERN CC[C@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000191639470 473562280 /nfs/dbraw/zinc/56/22/80/473562280.db2.gz WRKCTCIDJIDXBE-NSHDSACASA-N 0 0 330.344 2.629 10 5 EFBERN COC(=O)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000178786150 473562506 /nfs/dbraw/zinc/56/25/06/473562506.db2.gz AOMAAPPFOPBAKK-UHFFFAOYSA-N 0 0 329.356 2.868 10 5 EFBERN CC[C@H](Cc1ccccc1)N(C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191636744 473562632 /nfs/dbraw/zinc/56/26/32/473562632.db2.gz KMVQLAQMUVGZBF-CQSZACIVSA-N 0 0 330.388 2.905 10 5 EFBERN CCC(CC)c1cc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])on1 ZINC000191636807 473562784 /nfs/dbraw/zinc/56/27/84/473562784.db2.gz IVGSBZOHXYPLDU-UHFFFAOYSA-N 0 0 335.364 2.633 10 5 EFBERN CN1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000191663483 473566854 /nfs/dbraw/zinc/56/68/54/473566854.db2.gz DMUNWESMBRIYQB-UHFFFAOYSA-N 0 0 329.356 2.519 10 5 EFBERN CCc1nn(C)c(NCc2ncc(-c3ccccc3)cn2)c1[N+](=O)[O-] ZINC000185996162 473567087 /nfs/dbraw/zinc/56/70/87/473567087.db2.gz WUVPPPUBKHCKSR-UHFFFAOYSA-N 0 0 338.371 2.960 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(CO)c(F)c3)cc2N1 ZINC000170639902 473570977 /nfs/dbraw/zinc/57/09/77/473570977.db2.gz PQWHWBNDBPXQRA-UHFFFAOYSA-N 0 0 345.330 2.723 10 5 EFBERN COc1cc(C(=O)N(C)CCc2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000152506570 473571371 /nfs/dbraw/zinc/57/13/71/473571371.db2.gz SOIJWHZDNRZVEJ-UHFFFAOYSA-N 0 0 335.385 2.683 10 5 EFBERN Cc1ccc([C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000127051134 473572410 /nfs/dbraw/zinc/57/24/10/473572410.db2.gz YNYUFDVCDFQQQR-INIZCTEOSA-N 0 0 345.355 2.508 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000152556812 473576712 /nfs/dbraw/zinc/57/67/12/473576712.db2.gz UYCVQMWAVNLDDD-NXEZZACHSA-N 0 0 330.793 2.669 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000170675132 473582655 /nfs/dbraw/zinc/58/26/55/473582655.db2.gz CKLASVACAWCYGL-ZDUSSCGKSA-N 0 0 344.371 2.736 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000172340733 473585450 /nfs/dbraw/zinc/58/54/50/473585450.db2.gz PYCUBJHIYWPISI-QYJAPNMZSA-N 0 0 332.381 2.937 10 5 EFBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCCO1 ZINC000170687998 473586716 /nfs/dbraw/zinc/58/67/16/473586716.db2.gz OXEOIULBVYCFPY-FZMZJTMJSA-N 0 0 332.360 2.817 10 5 EFBERN COc1cccc(Cl)c1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000191887185 473586701 /nfs/dbraw/zinc/58/67/01/473586701.db2.gz YPOBQDMIVDFOGO-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN COC[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000170741887 473600538 /nfs/dbraw/zinc/60/05/38/473600538.db2.gz NCZJIMKQCMYWOS-HNNXBMFYSA-N 0 0 329.356 2.782 10 5 EFBERN COC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000170743632 473601594 /nfs/dbraw/zinc/60/15/94/473601594.db2.gz CZKHHUHJEVXVHF-KRWDZBQOSA-N 0 0 343.383 2.824 10 5 EFBERN COc1cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)ccc1[N+](=O)[O-] ZINC000127482799 473617837 /nfs/dbraw/zinc/61/78/37/473617837.db2.gz UIJSLCPPSXBTSX-MRXNPFEDSA-N 0 0 346.339 2.719 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000170807253 473619077 /nfs/dbraw/zinc/61/90/77/473619077.db2.gz SXRVCYDVXKURJK-CYBMUJFWSA-N 0 0 345.359 2.686 10 5 EFBERN CC(C)[C@H](C)CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172499922 473625330 /nfs/dbraw/zinc/62/53/30/473625330.db2.gz HBTJBRAHEQZRTM-CQSZACIVSA-N 0 0 334.420 2.719 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)Cc2cn(C)nc2C(F)(F)F)n1 ZINC000127592917 473631120 /nfs/dbraw/zinc/63/11/20/473631120.db2.gz CEWNWTNSAKSUPG-UHFFFAOYSA-N 0 0 329.282 2.687 10 5 EFBERN COc1cc(N(C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000127629098 473635238 /nfs/dbraw/zinc/63/52/38/473635238.db2.gz GBMSYKPAXCYGTR-UHFFFAOYSA-N 0 0 344.293 2.992 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3Cc4ccccc4[C@H]3O)cc2N1 ZINC000170982193 473660325 /nfs/dbraw/zinc/66/03/25/473660325.db2.gz VMUMYYAVCFBTIW-CRAIPNDOSA-N 0 0 339.351 2.550 10 5 EFBERN CC1(C)CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000128009347 473670843 /nfs/dbraw/zinc/67/08/43/473670843.db2.gz NJQMFTMIIPDVSQ-UHFFFAOYSA-N 0 0 343.387 2.874 10 5 EFBERN CSc1cccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000186516337 473684824 /nfs/dbraw/zinc/68/48/24/473684824.db2.gz DIOAWYYFGBNWRS-LLVKDONJSA-N 0 0 346.412 2.680 10 5 EFBERN CCC1(CC)CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[S@]1=O ZINC000192496409 473685957 /nfs/dbraw/zinc/68/59/57/473685957.db2.gz GIMLKFXOUOBXIX-HSZRJFAPSA-N 0 0 338.429 2.667 10 5 EFBERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192504401 473686649 /nfs/dbraw/zinc/68/66/49/473686649.db2.gz CIHRTZMJKGWHND-CHWSQXEVSA-N 0 0 347.396 2.834 10 5 EFBERN C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1=O ZINC000186587488 473694574 /nfs/dbraw/zinc/69/45/74/473694574.db2.gz RAZWZXXJKZUJKM-AWEZNQCLSA-N 0 0 348.402 2.592 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000192590431 473695096 /nfs/dbraw/zinc/69/50/96/473695096.db2.gz LGXMNQVKYPMZEQ-KBPBESRZSA-N 0 0 346.408 2.813 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC000179568429 473695948 /nfs/dbraw/zinc/69/59/48/473695948.db2.gz NKKMDHYYOFEIKE-UHFFFAOYSA-N 0 0 332.360 2.688 10 5 EFBERN Cc1c(CNc2cc(-n3cnnn3)ccc2F)cccc1[N+](=O)[O-] ZINC000172900502 473699248 /nfs/dbraw/zinc/69/92/48/473699248.db2.gz WYJFGACJIUAELW-UHFFFAOYSA-N 0 0 328.307 2.630 10 5 EFBERN COc1cc(CCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000245470563 473707112 /nfs/dbraw/zinc/70/71/12/473707112.db2.gz WNZXIYYRAZJUDS-LAQFHYBYSA-N 0 0 348.399 2.707 10 5 EFBERN C[C@@H](COCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000172951820 473711457 /nfs/dbraw/zinc/71/14/57/473711457.db2.gz MCQLYYGJBJTNDA-AWEZNQCLSA-N 0 0 328.368 2.859 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)COCc2ccccc2)c1 ZINC000172968352 473716457 /nfs/dbraw/zinc/71/64/57/473716457.db2.gz OLPLJNBGMRDYLC-ZDUSSCGKSA-N 0 0 344.367 2.939 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1nc(-c2ccccc2)n[nH]1 ZINC000192770143 473721608 /nfs/dbraw/zinc/72/16/08/473721608.db2.gz UHDMAYIOVMAVBP-UHFFFAOYSA-N 0 0 341.375 2.559 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(=O)Nc3ccccc32)c1 ZINC000173046580 473733078 /nfs/dbraw/zinc/73/30/78/473733078.db2.gz ZZGWMXSAQREACC-UHFFFAOYSA-N 0 0 341.323 2.592 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000192856931 473737524 /nfs/dbraw/zinc/73/75/24/473737524.db2.gz ONBFEVQJBNLWEZ-IINYFYTJSA-N 0 0 328.372 2.852 10 5 EFBERN CC(C)(C(=O)NCCc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000269232842 473741484 /nfs/dbraw/zinc/74/14/84/473741484.db2.gz YCPXFVIECNAGSV-UHFFFAOYSA-N 0 0 328.368 2.937 10 5 EFBERN O=C(NCc1ccc(Cl)cc1Cl)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186731577 473745308 /nfs/dbraw/zinc/74/53/08/473745308.db2.gz FJFQTMITKZEDGL-UHFFFAOYSA-N 0 0 342.138 2.932 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000173151446 473756040 /nfs/dbraw/zinc/75/60/40/473756040.db2.gz ANNQQHSLLPCVIN-UPCLLVRISA-N 0 0 346.408 2.753 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000186787532 473756399 /nfs/dbraw/zinc/75/63/99/473756399.db2.gz DILJJIWGNOAJCC-ZDUSSCGKSA-N 0 0 345.355 2.501 10 5 EFBERN CCOC(=O)[C@H](NCc1csc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000173160117 473757939 /nfs/dbraw/zinc/75/79/39/473757939.db2.gz SNWNPZCXLQUUGW-CQSZACIVSA-N 0 0 336.369 2.756 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC=C(Br)C1 ZINC000281569914 473769438 /nfs/dbraw/zinc/76/94/38/473769438.db2.gz AMZZTPWZXWQTGZ-UHFFFAOYSA-N 0 0 325.162 2.648 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000246060621 473777206 /nfs/dbraw/zinc/77/72/06/473777206.db2.gz DFCXQGSPUSSWLY-DGCLKSJQSA-N 0 0 340.401 2.557 10 5 EFBERN Cc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000193283882 473778886 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EFBERN COC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1 ZINC000269469021 473820418 /nfs/dbraw/zinc/82/04/18/473820418.db2.gz UDTFVYCDGQHGCQ-GFCCVEGCSA-N 0 0 332.360 2.559 10 5 EFBERN CN(C)c1ncccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193917534 473820916 /nfs/dbraw/zinc/82/09/16/473820916.db2.gz QNZDEIBPZQZNFO-UHFFFAOYSA-N 0 0 341.371 2.553 10 5 EFBERN CCc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000173434077 473837935 /nfs/dbraw/zinc/83/79/35/473837935.db2.gz QVPNRPLTMYCMRC-AWEZNQCLSA-N 0 0 328.372 2.520 10 5 EFBERN Cc1cc(N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000187231825 473842847 /nfs/dbraw/zinc/84/28/47/473842847.db2.gz MNAREOSQMHUSEL-UHFFFAOYSA-N 0 0 335.795 2.602 10 5 EFBERN C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1CCO ZINC000187257316 473847438 /nfs/dbraw/zinc/84/74/38/473847438.db2.gz CHFZPOICUODTDK-HNNXBMFYSA-N 0 0 349.434 2.527 10 5 EFBERN O=[N+]([O-])c1cccc([C@@H](O)CN2CCO[C@H](c3cccs3)C2)c1 ZINC000269654223 473852587 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COc1ccc(OC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000291786580 474687049 /nfs/dbraw/zinc/68/70/49/474687049.db2.gz QKVWMUXNVUFNPK-JTQLQIEISA-N 0 0 348.277 2.536 10 5 EFBERN O=C([C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1)N1CCCC1 ZINC000291797395 474691233 /nfs/dbraw/zinc/69/12/33/474691233.db2.gz DPZJCHARLGZHRY-ZDUSSCGKSA-N 0 0 340.383 2.592 10 5 EFBERN C[C@@H]1OCC[C@]12CN(c1c3ccccc3ncc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000291802278 474695502 /nfs/dbraw/zinc/69/55/02/474695502.db2.gz DVCMVNUEAWNRFY-VBHSOAQHSA-N 0 0 343.383 2.916 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnc(OCC2CC2)cn1 ZINC000284634367 474697842 /nfs/dbraw/zinc/69/78/42/474697842.db2.gz LBGVJJJWBUXPRU-UHFFFAOYSA-N 0 0 332.291 2.565 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000337117617 474713701 /nfs/dbraw/zinc/71/37/01/474713701.db2.gz VIHLKBSXGPYFTC-UHFFFAOYSA-N 0 0 341.323 2.592 10 5 EFBERN O=C(CN1CC[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278576356 474714468 /nfs/dbraw/zinc/71/44/68/474714468.db2.gz CJZBGUNSHMLZEF-SNVBAGLBSA-N 0 0 331.294 2.808 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000278588799 474721617 /nfs/dbraw/zinc/72/16/17/474721617.db2.gz YSGPFBONSCFLBG-UFBFGSQYSA-N 0 0 344.293 2.611 10 5 EFBERN O=[N+]([O-])c1ccn(C[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000305322639 474730849 /nfs/dbraw/zinc/73/08/49/474730849.db2.gz OLVFBYUOJNRNPN-MRVPVSSYSA-N 0 0 332.143 2.538 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000292950709 474732514 /nfs/dbraw/zinc/73/25/14/474732514.db2.gz JOHJMRSCALWWKM-AWEZNQCLSA-N 0 0 342.417 2.659 10 5 EFBERN COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000344414852 474733091 /nfs/dbraw/zinc/73/30/91/474733091.db2.gz GVOULOOFYDCINV-CYBMUJFWSA-N 0 0 328.372 2.937 10 5 EFBERN Cc1cc(F)c(NC(=O)[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000253396589 474735566 /nfs/dbraw/zinc/73/55/66/474735566.db2.gz QUJFTWBJRIQRCV-JTQLQIEISA-N 0 0 332.335 2.834 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])nc1)N1Cc2ccccc2C1 ZINC000344418593 474736394 /nfs/dbraw/zinc/73/63/94/474736394.db2.gz MHSYKLMDEGUNNP-UHFFFAOYSA-N 0 0 326.356 2.724 10 5 EFBERN COC(=O)[C@H](CNc1ccc([N+](=O)[O-])nc1)Cc1cccc(C)c1 ZINC000344421055 474739668 /nfs/dbraw/zinc/73/96/68/474739668.db2.gz ALSXGIXHEVYLQD-AWEZNQCLSA-N 0 0 329.356 2.742 10 5 EFBERN CC(C)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291898627 474741883 /nfs/dbraw/zinc/74/18/83/474741883.db2.gz RAMKOEWDTQBUAD-GFCCVEGCSA-N 0 0 341.795 2.686 10 5 EFBERN O=C(NCCn1cnc2ccccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338932003 474746068 /nfs/dbraw/zinc/74/60/68/474746068.db2.gz WRJFRJVVZQIFKJ-UHFFFAOYSA-N 0 0 349.350 2.856 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)Nc2cn(C)nc2C2CC2)cccc1[N+](=O)[O-] ZINC000291915957 474749705 /nfs/dbraw/zinc/74/97/05/474749705.db2.gz ODERQJBILHUATO-LLVKDONJSA-N 0 0 343.387 2.953 10 5 EFBERN C[C@@H]1CSc2ccccc2N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000253425722 474750538 /nfs/dbraw/zinc/75/05/38/474750538.db2.gz LYEFDNHWECQHOA-JTQLQIEISA-N 0 0 332.385 2.717 10 5 EFBERN CC[C@@H]1CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000291947508 474766732 /nfs/dbraw/zinc/76/67/32/474766732.db2.gz NUTCNBQXMFMUFL-MRVPVSSYSA-N 0 0 349.206 2.530 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3nc(-c4cccs4)c[nH]3)nc2c1 ZINC000340903134 474763706 /nfs/dbraw/zinc/76/37/06/474763706.db2.gz KSFMMBKOZCIEIL-UHFFFAOYSA-N 0 0 340.368 2.957 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000278664646 474763953 /nfs/dbraw/zinc/76/39/53/474763953.db2.gz OHCURUIYCNOCHI-SECBINFHSA-N 0 0 336.779 2.949 10 5 EFBERN CN(C)S(=O)(=O)c1ccc(NCCC2(F)CCC2)c([N+](=O)[O-])c1 ZINC000340905210 474766292 /nfs/dbraw/zinc/76/62/92/474766292.db2.gz CZIDWQTVZAWBOL-UHFFFAOYSA-N 0 0 345.396 2.539 10 5 EFBERN CC(C)[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000344590612 474767491 /nfs/dbraw/zinc/76/74/91/474767491.db2.gz ZSACAXZZEXWVMP-GFCCVEGCSA-N 0 0 348.325 2.893 10 5 EFBERN Cc1c(NC(=O)C(=O)NC/C=C\c2ccccc2)cccc1[N+](=O)[O-] ZINC000254926166 474774296 /nfs/dbraw/zinc/77/42/96/474774296.db2.gz GOXGOVMKYUDVPH-TWGQIWQCSA-N 0 0 339.351 2.671 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC/C=C\c2ccccc2)c1 ZINC000255011144 474787257 /nfs/dbraw/zinc/78/72/57/474787257.db2.gz FLUXDSIYLXOOKR-UITAMQMPSA-N 0 0 332.381 2.728 10 5 EFBERN C[C@]12CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]1C2(F)F ZINC000291984146 474787585 /nfs/dbraw/zinc/78/75/85/474787585.db2.gz PZYCRHNKWHHKLS-RISCZKNCSA-N 0 0 336.298 2.725 10 5 EFBERN O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000255028085 474788835 /nfs/dbraw/zinc/78/88/35/474788835.db2.gz NFUDLLMOLAGTNZ-DAXSKMNVSA-N 0 0 339.399 2.610 10 5 EFBERN CC(C)(C)[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000273231376 474790654 /nfs/dbraw/zinc/79/06/54/474790654.db2.gz DIMYYDZDGYPUIJ-TZMCWYRMSA-N 0 0 333.388 2.965 10 5 EFBERN CC(C)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000292002996 474797563 /nfs/dbraw/zinc/79/75/63/474797563.db2.gz XKHSWZHPHQVSJK-CQSZACIVSA-N 0 0 332.360 2.644 10 5 EFBERN O=[N+]([O-])c1cccc([C@H](Nc2cnn(CCO)c2)c2ccccc2)c1 ZINC000305854701 474799507 /nfs/dbraw/zinc/79/95/07/474799507.db2.gz WCHXZARUQHMOBD-GOSISDBHSA-N 0 0 338.367 2.985 10 5 EFBERN O=C(NCC1CC(c2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000338984767 474804738 /nfs/dbraw/zinc/80/47/38/474804738.db2.gz BBOIOMOIVHOWCF-UHFFFAOYSA-N 0 0 327.340 2.619 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)N1CCC[C@@H](C)C1 ZINC000273260771 474808582 /nfs/dbraw/zinc/80/85/82/474808582.db2.gz DQJFHMXXVBDXJM-PCRWRXJSSA-N 0 0 346.383 2.800 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255199416 474818839 /nfs/dbraw/zinc/81/88/39/474818839.db2.gz HYNCAJFTNPKFDI-NXIHDVOMSA-N 0 0 334.372 2.797 10 5 EFBERN CN(Cc1ncnn1CC(F)F)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292060173 474826508 /nfs/dbraw/zinc/82/65/08/474826508.db2.gz WOLOFIGDSVSJSM-UHFFFAOYSA-N 0 0 348.313 2.636 10 5 EFBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000345034172 474832575 /nfs/dbraw/zinc/83/25/75/474832575.db2.gz OFYNJCAFLPBLBQ-CRAIPNDOSA-N 0 0 341.367 2.646 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000337256567 474833177 /nfs/dbraw/zinc/83/31/77/474833177.db2.gz UCFDZKLQJRLHOL-GFCCVEGCSA-N 0 0 348.371 2.840 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC(F)(F)C2)s1 ZINC000337264254 474839786 /nfs/dbraw/zinc/83/97/86/474839786.db2.gz XOTVVVLSJRRWIO-MRVPVSSYSA-N 0 0 340.373 2.760 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NCCn1cc(Br)cn1 ZINC000311550118 474840801 /nfs/dbraw/zinc/84/08/01/474840801.db2.gz WBJODAARNDHQSX-UHFFFAOYSA-N 0 0 346.572 2.714 10 5 EFBERN C[C@@H]1CC[C@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278816675 474851270 /nfs/dbraw/zinc/85/12/70/474851270.db2.gz ZCNIZOWWTYDCHL-MNOVXSKESA-N 0 0 331.376 2.801 10 5 EFBERN Cc1cnn([C@H]2CCCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000255427282 474854078 /nfs/dbraw/zinc/85/40/78/474854078.db2.gz ZPKYSQQXUMJJFB-SKHCZCESSA-N 0 0 340.383 2.977 10 5 EFBERN Cc1c(C(=O)NCCc2cccc([N+](=O)[O-])c2)sc2nccn12 ZINC000345063000 474860388 /nfs/dbraw/zinc/86/03/88/474860388.db2.gz SZXPBAQTDBZACZ-UHFFFAOYSA-N 0 0 330.369 2.585 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2ncccc2F)CC1 ZINC000273391306 474874348 /nfs/dbraw/zinc/87/43/48/474874348.db2.gz DRLRTCGOAXYDFD-UHFFFAOYSA-N 0 0 330.363 2.760 10 5 EFBERN COCC1(c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000293223119 474875122 /nfs/dbraw/zinc/87/51/22/474875122.db2.gz QZAUQVXACNWTFW-QPJJXVBHSA-N 0 0 345.355 2.843 10 5 EFBERN COC[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000341019489 474885010 /nfs/dbraw/zinc/88/50/10/474885010.db2.gz NAAARVZZMCCSSG-MRXNPFEDSA-N 0 0 347.346 2.921 10 5 EFBERN O=C(NC[C@H](CO)CC1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000337319212 474892319 /nfs/dbraw/zinc/89/23/19/474892319.db2.gz ZNFAMZZDBBZIML-CYBMUJFWSA-N 0 0 345.399 2.995 10 5 EFBERN Cc1nn(C)c(C)c1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000292184001 474893047 /nfs/dbraw/zinc/89/30/47/474893047.db2.gz GQTCALHCBMJADB-UHFFFAOYSA-N 0 0 329.360 2.581 10 5 EFBERN COC(=O)[C@@H]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000345107126 474896193 /nfs/dbraw/zinc/89/61/93/474896193.db2.gz UDKNXNIBYYHMTH-GFCCVEGCSA-N 0 0 329.356 2.841 10 5 EFBERN C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000339074075 474902029 /nfs/dbraw/zinc/90/20/29/474902029.db2.gz ILOBVGHQNDDWBM-RULNZOCKSA-N 0 0 334.397 2.889 10 5 EFBERN CCN1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000279127132 474961489 /nfs/dbraw/zinc/96/14/89/474961489.db2.gz WLRFOIUXLDMINW-UHFFFAOYSA-N 0 0 335.407 2.871 10 5 EFBERN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000273564924 474964281 /nfs/dbraw/zinc/96/42/81/474964281.db2.gz GKGYRAXXMXCSKY-UHFFFAOYSA-N 0 0 326.316 2.714 10 5 EFBERN COC(=O)[C@@H](CNc1cccnc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000609269883 480136830 /nfs/dbraw/zinc/13/68/30/480136830.db2.gz RNGVFBHQSGHJMA-GFCCVEGCSA-N 0 0 333.319 2.573 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)OC)nc1 ZINC000273574766 474970346 /nfs/dbraw/zinc/97/03/46/474970346.db2.gz JKOZOHUAPCTMBH-UHFFFAOYSA-N 0 0 331.328 2.787 10 5 EFBERN COCC1(c2noc(-c3cc([N+](=O)[O-])ccc3C)n2)CCOCC1 ZINC000341098744 474971498 /nfs/dbraw/zinc/97/14/98/474971498.db2.gz YYXHNMGEUSNWEY-UHFFFAOYSA-N 0 0 333.344 2.648 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCO[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000285328754 474975092 /nfs/dbraw/zinc/97/50/92/474975092.db2.gz NRVSSXDOUZFCMV-HNNXBMFYSA-N 0 0 326.780 2.630 10 5 EFBERN COc1cccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000261477003 474979257 /nfs/dbraw/zinc/97/92/57/474979257.db2.gz RZBARZPYVHXSOQ-LLVKDONJSA-N 0 0 329.356 2.668 10 5 EFBERN C[C@@H](NC(=O)NCCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000341109183 474982806 /nfs/dbraw/zinc/98/28/06/474982806.db2.gz SNICLVHDAUZTMK-LLVKDONJSA-N 0 0 337.376 2.687 10 5 EFBERN COC(=O)c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc(C)c1[N+](=O)[O-] ZINC000268453533 474988305 /nfs/dbraw/zinc/98/83/05/474988305.db2.gz BHHYHSWCHGOZDC-GLQYFDAESA-N 0 0 334.372 2.915 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293459419 474991230 /nfs/dbraw/zinc/99/12/30/474991230.db2.gz LBSHCNICFVNMIB-SECBINFHSA-N 0 0 332.278 2.609 10 5 EFBERN COC(=O)c1cc(NC[C@H](O)c2ccsc2)cc(C)c1[N+](=O)[O-] ZINC000268462531 474992593 /nfs/dbraw/zinc/99/25/93/474992593.db2.gz FMFYCANJXRLOCO-ZDUSSCGKSA-N 0 0 336.369 2.897 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)OCO3)c1 ZINC000326231743 474999905 /nfs/dbraw/zinc/99/99/05/474999905.db2.gz CSJLJAPNMTVZPQ-UHFFFAOYSA-N 0 0 330.296 2.722 10 5 EFBERN O=C(CN1CCCC[C@H]1C(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000337423293 475001126 /nfs/dbraw/zinc/00/11/26/475001126.db2.gz VOHUTIVLYRPQQD-AWEZNQCLSA-N 0 0 339.342 2.604 10 5 EFBERN Cc1c(CC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000273666012 475004880 /nfs/dbraw/zinc/00/48/80/475004880.db2.gz XIDFJXSZGJSGFO-HOCLYGCPSA-N 0 0 334.416 2.701 10 5 EFBERN Cc1c(NC(=O)[C@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000280851254 475051885 /nfs/dbraw/zinc/05/18/85/475051885.db2.gz ZVHOVCZFOKGJBB-LLVKDONJSA-N 0 0 329.150 2.783 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1cccc2[nH]ccc21 ZINC000337432931 475012769 /nfs/dbraw/zinc/01/27/69/475012769.db2.gz VUGOCKBKLJKKSI-UHFFFAOYSA-N 0 0 339.351 2.814 10 5 EFBERN COC(=O)COc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000327007509 475013965 /nfs/dbraw/zinc/01/39/65/475013965.db2.gz BTCMJRNYWBAMIR-UHFFFAOYSA-N 0 0 348.286 2.538 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000337439644 475019720 /nfs/dbraw/zinc/01/97/20/475019720.db2.gz YVXDGSIHELKZHY-UHFFFAOYSA-N 0 0 332.360 2.742 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000273721074 475027179 /nfs/dbraw/zinc/02/71/79/475027179.db2.gz RKXSCLCVMCZDBN-IUCAKERBSA-N 0 0 335.389 2.876 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000273721076 475027881 /nfs/dbraw/zinc/02/78/81/475027881.db2.gz RKXSCLCVMCZDBN-RKDXNWHRSA-N 0 0 335.389 2.876 10 5 EFBERN CO[C@@H](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000345248684 475028146 /nfs/dbraw/zinc/02/81/46/475028146.db2.gz OMGKSSFBNKTRKW-NSHDSACASA-N 0 0 335.282 2.992 10 5 EFBERN CN(C)c1ncccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341216664 475030800 /nfs/dbraw/zinc/03/08/00/475030800.db2.gz ACQZPYNJYVEKFT-UHFFFAOYSA-N 0 0 336.298 2.515 10 5 EFBERN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000268691743 475038237 /nfs/dbraw/zinc/03/82/37/475038237.db2.gz OZKPFHWAIIZKMU-VIFPVBQESA-N 0 0 331.294 2.671 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N(CC(F)F)CC2CCC2)c1 ZINC000341463562 475063220 /nfs/dbraw/zinc/06/32/20/475063220.db2.gz VIARCQCPWNBEAM-UHFFFAOYSA-N 0 0 348.371 2.792 10 5 EFBERN COc1ccc(NC(=O)CN2CCCC[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000337501633 475073474 /nfs/dbraw/zinc/07/34/74/475073474.db2.gz BQOBVZJZCNKWOI-GFCCVEGCSA-N 0 0 343.330 2.662 10 5 EFBERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281151015 475092369 /nfs/dbraw/zinc/09/23/69/475092369.db2.gz HMIRHCOBPOMJPX-BXKDBHETSA-N 0 0 336.369 2.604 10 5 EFBERN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(=O)N1C ZINC000337540896 475109500 /nfs/dbraw/zinc/10/95/00/475109500.db2.gz KKBUMCKNRBXTMG-GFCCVEGCSA-N 0 0 329.356 2.517 10 5 EFBERN Cc1sc(C(=O)N(CCCO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000268994599 475117356 /nfs/dbraw/zinc/11/73/56/475117356.db2.gz QAUHJATXGUONQW-UHFFFAOYSA-N 0 0 334.397 2.990 10 5 EFBERN C[C@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000337556746 475124234 /nfs/dbraw/zinc/12/42/34/475124234.db2.gz RUGWIJFGCXVRTI-SUMWQHHRSA-N 0 0 345.374 2.748 10 5 EFBERN CC[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000292632771 475125922 /nfs/dbraw/zinc/12/59/22/475125922.db2.gz AFCHYZFOELHQMN-LSDHHAIUSA-N 0 0 325.796 2.548 10 5 EFBERN CN1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000273936948 475127170 /nfs/dbraw/zinc/12/71/70/475127170.db2.gz LFRRUMHYLMCHLY-UONOGXRCSA-N 0 0 335.314 2.520 10 5 EFBERN C[C@H]1Oc2ccc(C(=O)COc3cccc([N+](=O)[O-])c3)cc2NC1=O ZINC000341558994 475141600 /nfs/dbraw/zinc/14/16/00/475141600.db2.gz ZZKLYAPNQXUSIY-SNVBAGLBSA-N 0 0 342.307 2.576 10 5 EFBERN C[C@@]12CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]1C2(F)F ZINC000292677661 475146859 /nfs/dbraw/zinc/14/68/59/475146859.db2.gz CSBFDUPLZARPAG-GXTWGEPZSA-N 0 0 344.289 2.616 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000345387626 475149846 /nfs/dbraw/zinc/14/98/46/475149846.db2.gz DDAGLWKWCXXBAR-GFCCVEGCSA-N 0 0 343.387 2.712 10 5 EFBERN CCOC(=O)c1csc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)n1 ZINC000292708346 475161114 /nfs/dbraw/zinc/16/11/14/475161114.db2.gz RCHYIVWLFWIFJS-UHFFFAOYSA-N 0 0 346.368 2.934 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(O)c1 ZINC000337601981 475173928 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EFBERN C[C@H]1C[C@@H](S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000296364099 475284905 /nfs/dbraw/zinc/28/49/05/475284905.db2.gz RCUQZIYXXAXHKY-IUCAKERBSA-N 0 0 335.765 2.524 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(c2ccccc2F)C1 ZINC000361228769 475286584 /nfs/dbraw/zinc/28/65/84/475286584.db2.gz NTMSCCJGDOKYHR-UHFFFAOYSA-N 0 0 330.315 2.982 10 5 EFBERN Cc1cccnc1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296377514 475288387 /nfs/dbraw/zinc/28/83/87/475288387.db2.gz HKUWWGBVKVZOLO-UHFFFAOYSA-N 0 0 341.367 2.620 10 5 EFBERN CCOC(=O)CC1(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCCC1 ZINC000345591506 475290375 /nfs/dbraw/zinc/29/03/75/475290375.db2.gz VJWDCKGCLVTGCZ-UHFFFAOYSA-N 0 0 334.372 2.899 10 5 EFBERN Cc1nn(C)c2ncc(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC000341779698 475294723 /nfs/dbraw/zinc/29/47/23/475294723.db2.gz MXGYELTXRBENHO-JTQLQIEISA-N 0 0 339.355 2.676 10 5 EFBERN CCn1cc(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000341784864 475300052 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Cc1ccc(CC[C@@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)o1 ZINC000358918181 476037979 /nfs/dbraw/zinc/03/79/79/476037979.db2.gz DMSJUUHAZAOPDM-LLVKDONJSA-N 0 0 348.403 2.837 10 5 EFBERN C[C@@H]1C[C@@H](c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)CCO1 ZINC000350121817 476055854 /nfs/dbraw/zinc/05/58/54/476055854.db2.gz PKTZRTYATJVKGK-ZJUUUORDSA-N 0 0 347.327 2.699 10 5 EFBERN COCC[C@H](Cc1ccco1)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000343428571 476056999 /nfs/dbraw/zinc/05/69/99/476056999.db2.gz HDUCJVSXAUPEHU-LLVKDONJSA-N 0 0 338.385 2.935 10 5 EFBERN O=[N+]([O-])c1ccc(CCN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)cc1 ZINC000340473570 476057078 /nfs/dbraw/zinc/05/70/78/476057078.db2.gz LUDIFQJXMCOGTI-QGZVFWFLSA-N 0 0 341.346 2.774 10 5 EFBERN Cc1nn(CCC(=O)N(C)Cc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000338617678 476059155 /nfs/dbraw/zinc/05/91/55/476059155.db2.gz GPCQVWXXMGGEBY-UHFFFAOYSA-N 0 0 334.351 2.596 10 5 EFBERN C[C@@H]1CSCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358969903 476076984 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C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298403687 476081467 /nfs/dbraw/zinc/08/14/67/476081467.db2.gz WRLRCDHOCVKESF-YVLXSGLVSA-N 0 0 339.342 2.899 10 5 EFBERN C[C@H]1CCCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343549688 476084958 /nfs/dbraw/zinc/08/49/58/476084958.db2.gz KMIYJSRAYJRIFL-ZDUSSCGKSA-N 0 0 326.418 2.633 10 5 EFBERN CC(C)(C(=O)N[C@@H]1CCc2cc(Cl)ccc21)n1cc([N+](=O)[O-])cn1 ZINC000338651555 476086276 /nfs/dbraw/zinc/08/62/76/476086276.db2.gz YBCMQJVFQMLRFB-CQSZACIVSA-N 0 0 348.790 2.984 10 5 EFBERN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000334026397 476091509 /nfs/dbraw/zinc/09/15/09/476091509.db2.gz KSGJQSYUFDVKGB-ABAIWWIYSA-N 0 0 336.388 2.872 10 5 EFBERN CC[C@@](C)(CO)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000334037082 476095781 /nfs/dbraw/zinc/09/57/81/476095781.db2.gz RQFGVHNADIUKRO-ACJLOTCBSA-N 0 0 349.431 2.722 10 5 EFBERN CC[C@@](C)(O)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 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ZINC000362359437 476194484 /nfs/dbraw/zinc/19/44/84/476194484.db2.gz NQKIGPDGRVGPNK-UHFFFAOYSA-N 0 0 327.319 2.563 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H](C)C(=O)OC(C)(C)C)no1 ZINC000350470950 476198756 /nfs/dbraw/zinc/19/87/56/476198756.db2.gz AAABSBHAQIHSFN-MRVPVSSYSA-N 0 0 334.332 2.793 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(N[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000362375211 476202190 /nfs/dbraw/zinc/20/21/90/476202190.db2.gz GPYWCRRVYXRFNM-GXTWGEPZSA-N 0 0 326.356 2.770 10 5 EFBERN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)c1ncc([N+](=O)[O-])s1 ZINC000336933749 476214925 /nfs/dbraw/zinc/21/49/25/476214925.db2.gz RPSCVJFYRCXJDO-LRDDRELGSA-N 0 0 349.412 2.598 10 5 EFBERN C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C)[C@H](C)O1 ZINC000353719977 476215826 /nfs/dbraw/zinc/21/58/26/476215826.db2.gz KINMIMIDWWAXPB-UPJWGTAASA-N 0 0 331.372 2.574 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)[C@@H]1n1cccn1 ZINC000338841915 476228505 /nfs/dbraw/zinc/22/85/05/476228505.db2.gz STRNXMCBFXSZIS-UNEWFSDZSA-N 0 0 343.387 2.590 10 5 EFBERN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n(C)n1 ZINC000347297963 476240087 /nfs/dbraw/zinc/24/00/87/476240087.db2.gz YYTPRZDIBTVWAH-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cscn2)no1 ZINC000350554813 476240498 /nfs/dbraw/zinc/24/04/98/476240498.db2.gz QTEZYBLMXJHNNJ-MRVPVSSYSA-N 0 0 345.340 2.592 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000336987892 476249976 /nfs/dbraw/zinc/24/99/76/476249976.db2.gz JFYLYBAPRNEAAF-GFCCVEGCSA-N 0 0 334.344 2.712 10 5 EFBERN Cc1sc(S(=O)(=O)N2CCCC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000336999111 476256093 /nfs/dbraw/zinc/25/60/93/476256093.db2.gz QPGADBGQAYBGCN-QMMMGPOBSA-N 0 0 340.373 2.773 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000337000431 476256760 /nfs/dbraw/zinc/25/67/60/476256760.db2.gz SCXHVMXILZHXLU-NSHDSACASA-N 0 0 334.344 2.712 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000344337638 476261294 /nfs/dbraw/zinc/26/12/94/476261294.db2.gz ZHYLIHRGUADJLP-SECBINFHSA-N 0 0 332.278 2.770 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2noc3c2CCCC3)c1 ZINC000340779766 476266386 /nfs/dbraw/zinc/26/63/86/476266386.db2.gz OZFLLQSTKUHNMX-UHFFFAOYSA-N 0 0 331.328 2.860 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2COc3ccccc3O2)c1 ZINC000359841496 476267726 /nfs/dbraw/zinc/26/77/26/476267726.db2.gz AEUCSMVEVZCAEC-LBPRGKRZSA-N 0 0 344.323 2.633 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000353788977 476273032 /nfs/dbraw/zinc/27/30/32/476273032.db2.gz NZKDIFNIYLXLHM-VWYCJHECSA-N 0 0 330.381 2.789 10 5 EFBERN Cc1c(CS(=O)(=O)CC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000350655064 476282343 /nfs/dbraw/zinc/28/23/43/476282343.db2.gz WHEXKGJPRNOCGI-AWEZNQCLSA-N 0 0 327.402 2.777 10 5 EFBERN Cc1nc2ccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)cc2o1 ZINC000350668232 476286460 /nfs/dbraw/zinc/28/64/60/476286460.db2.gz GKKKEVNRJZJHER-UHFFFAOYSA-N 0 0 337.295 2.595 10 5 EFBERN CC(C)(CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1=CCCCC1 ZINC000357199938 476287877 /nfs/dbraw/zinc/28/78/77/476287877.db2.gz DXYSUBFABLAZEK-UHFFFAOYSA-N 0 0 335.408 2.617 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(C[C@@H](O)Cc3ccccc3)n2)c1 ZINC000353825921 476291113 /nfs/dbraw/zinc/29/11/13/476291113.db2.gz VNXVLTXJTVOVEQ-HNNXBMFYSA-N 0 0 325.324 2.791 10 5 EFBERN Cc1c(CNC(=O)[C@H]2CCCN2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000360493787 476305147 /nfs/dbraw/zinc/30/51/47/476305147.db2.gz ZDDGLSUNRLAHJF-CYBMUJFWSA-N 0 0 345.321 2.546 10 5 EFBERN C[C@@H](NC(=O)C[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000362562758 476309810 /nfs/dbraw/zinc/30/98/10/476309810.db2.gz UQAKLJUNCVZAQG-CXAGYDPISA-N 0 0 328.368 2.766 10 5 EFBERN COc1cccc([C@@H]2C[C@H]2c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000350892205 476310463 /nfs/dbraw/zinc/31/04/63/476310463.db2.gz VNKNYQJFZWAFIC-NWDGAFQWSA-N 0 0 341.327 2.658 10 5 EFBERN CO[C@H](C)CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)C ZINC000353890171 476314385 /nfs/dbraw/zinc/31/43/85/476314385.db2.gz CFBLZQPYNYXBRC-CYBMUJFWSA-N 0 0 346.387 2.666 10 5 EFBERN Cc1nc(-c2cccc(-c3noc(-c4ccc([N+](=O)[O-])[nH]4)n3)c2)n[nH]1 ZINC000357280835 476315091 /nfs/dbraw/zinc/31/50/91/476315091.db2.gz WVOVRFYXSMNTKK-UHFFFAOYSA-N 0 0 337.299 2.733 10 5 EFBERN CO[C@@H](C)CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000353903419 476318864 /nfs/dbraw/zinc/31/88/64/476318864.db2.gz ZCSWYSVWHARZBW-ZDUSSCGKSA-N 0 0 346.387 2.666 10 5 EFBERN O=C(Cc1noc(-c2cccs2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000350992190 476321229 /nfs/dbraw/zinc/32/12/29/476321229.db2.gz LLXYHHDMFADFDS-UHFFFAOYSA-N 0 0 344.352 2.565 10 5 EFBERN Cc1cccc(C)c1NC(=O)CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357306042 476324422 /nfs/dbraw/zinc/32/44/22/476324422.db2.gz BHQZJAUHDDNDJH-UHFFFAOYSA-N 0 0 339.355 2.560 10 5 EFBERN CN(Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)Cc1ccccc1 ZINC000357322517 476330487 /nfs/dbraw/zinc/33/04/87/476330487.db2.gz CKWPNSKDQZKIRR-UHFFFAOYSA-N 0 0 339.355 2.596 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000353938543 476331167 /nfs/dbraw/zinc/33/11/67/476331167.db2.gz XNHSCSXMUTUYBM-AWEZNQCLSA-N 0 0 345.359 2.798 10 5 EFBERN CSc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)ccn1 ZINC000357326582 476332017 /nfs/dbraw/zinc/33/20/17/476332017.db2.gz GJLGOEWBBGOADP-UHFFFAOYSA-N 0 0 329.341 2.748 10 5 EFBERN O=C(NCc1nccc(C(F)F)n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000360690488 476342204 /nfs/dbraw/zinc/34/22/04/476342204.db2.gz RQGUTMIRIRMFPI-UHFFFAOYSA-N 0 0 347.281 2.734 10 5 EFBERN O=C(NCc1nccc(C(F)F)n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000360704241 476347164 /nfs/dbraw/zinc/34/71/64/476347164.db2.gz GADMCQHELNKVRD-UHFFFAOYSA-N 0 0 347.281 2.734 10 5 EFBERN CO[C@H](Cc1ccccc1)c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000351145877 476347352 /nfs/dbraw/zinc/34/73/52/476347352.db2.gz QCSFMXWTALBYIX-CYBMUJFWSA-N 0 0 328.328 2.914 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(CC3CCOCC3)n2)c2c1NCCC2 ZINC000351151038 476347845 /nfs/dbraw/zinc/34/78/45/476347845.db2.gz IKGANCRIVCPUBU-UHFFFAOYSA-N 0 0 344.371 2.972 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(C3CCOCC3)n2)c2c1NCCC2 ZINC000351148038 476347901 /nfs/dbraw/zinc/34/79/01/476347901.db2.gz CYXWQXBOEJCBCU-UHFFFAOYSA-N 0 0 330.344 2.897 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CCOC3)n2)c2c1NCCC2 ZINC000351149894 476347936 /nfs/dbraw/zinc/34/79/36/476347936.db2.gz HHCWFFIPRADEDU-JTQLQIEISA-N 0 0 330.344 2.582 10 5 EFBERN C[C@H]1C[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CO1 ZINC000351157690 476349061 /nfs/dbraw/zinc/34/90/61/476349061.db2.gz NBKLVZKYWCQDFO-UWVGGRQHSA-N 0 0 330.344 2.895 10 5 EFBERN Cc1cc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)n(C)n1 ZINC000351166023 476350298 /nfs/dbraw/zinc/35/02/98/476350298.db2.gz UNLUOQKYSMCSQN-UHFFFAOYSA-N 0 0 340.343 2.712 10 5 EFBERN CSc1cccc(C(=O)N2CCc3cc[nH]c(=O)c3C2)c1[N+](=O)[O-] ZINC000372847937 476356109 /nfs/dbraw/zinc/35/61/09/476356109.db2.gz GAWRFELORLPGAI-UHFFFAOYSA-N 0 0 345.380 2.616 10 5 EFBERN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cn1 ZINC000377341190 476358284 /nfs/dbraw/zinc/35/82/84/476358284.db2.gz BFIHJOVZWBJMBI-GDBMZVCRSA-N 0 0 327.340 2.640 10 5 EFBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN2CCC1CC2 ZINC000368948728 476381261 /nfs/dbraw/zinc/38/12/61/476381261.db2.gz DKXIRSNEWZMPGH-UHFFFAOYSA-N 0 0 347.418 2.602 10 5 EFBERN COC[C@H]1CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354035144 476381364 /nfs/dbraw/zinc/38/13/64/476381364.db2.gz JQCGURTUHPHZQN-SNVBAGLBSA-N 0 0 330.793 2.588 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000363435077 476381810 /nfs/dbraw/zinc/38/18/10/476381810.db2.gz FJXOCDVBCAHSSQ-LBPRGKRZSA-N 0 0 342.307 2.635 10 5 EFBERN Cc1ccc2c(c1)[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H](C)C2 ZINC000357445006 476387497 /nfs/dbraw/zinc/38/74/97/476387497.db2.gz UXGQPWDEGYGZRK-YGRLFVJLSA-N 0 0 326.356 2.743 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccccc2)CC1 ZINC000377439509 476397545 /nfs/dbraw/zinc/39/75/45/476397545.db2.gz IWZMUKZJYLRHMS-UHFFFAOYSA-N 0 0 340.383 2.651 10 5 EFBERN C[C@H]1C[C@H](c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)CCO1 ZINC000357462242 476398494 /nfs/dbraw/zinc/39/84/94/476398494.db2.gz CYXFJPIGDFDIJG-DTWKUNHWSA-N 0 0 329.316 2.804 10 5 EFBERN CN1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000362775022 476402154 /nfs/dbraw/zinc/40/21/54/476402154.db2.gz AOSZEEFHSXTADT-DZGCQCFKSA-N 0 0 349.387 2.971 10 5 EFBERN CN1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000362775025 476402858 /nfs/dbraw/zinc/40/28/58/476402858.db2.gz AOSZEEFHSXTADT-ZFWWWQNUSA-N 0 0 349.387 2.971 10 5 EFBERN CCCN1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)CC1=O ZINC000351321154 476410031 /nfs/dbraw/zinc/41/00/31/476410031.db2.gz YEHHQXZCDONLSX-GFCCVEGCSA-N 0 0 330.344 2.679 10 5 EFBERN CNC(=O)c1ccc(Nc2ccc3nc(C)cn3c2)c([N+](=O)[O-])c1 ZINC000354092401 476420034 /nfs/dbraw/zinc/42/00/34/476420034.db2.gz RJMLTOBOGXLYAO-UHFFFAOYSA-N 0 0 325.328 2.654 10 5 EFBERN Cc1cn2cc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc2n1 ZINC000354093408 476420072 /nfs/dbraw/zinc/42/00/72/476420072.db2.gz ZSWXQWCSTGADBU-UHFFFAOYSA-N 0 0 346.368 2.698 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc2c(c1)OCO2 ZINC000360843275 476422304 /nfs/dbraw/zinc/42/23/04/476422304.db2.gz ULLMEMUUOYAWHO-UHFFFAOYSA-N 0 0 336.250 2.783 10 5 EFBERN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000357513764 476423888 /nfs/dbraw/zinc/42/38/88/476423888.db2.gz NUOBAQSKKFHARY-QMMMGPOBSA-N 0 0 336.298 2.583 10 5 EFBERN C[C@@H]1C[C@]2(CCO1)CN(c1c3c(ccc1[N+](=O)[O-])NCC3)C[C@H](C)O2 ZINC000373772325 476426572 /nfs/dbraw/zinc/42/65/72/476426572.db2.gz PQICAXLXVMABAK-FHSNZYRGSA-N 0 0 347.415 2.726 10 5 EFBERN CCN1C[C@H](c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000351374681 476427712 /nfs/dbraw/zinc/42/77/12/476427712.db2.gz IAHKOJNLULEVLB-SNVBAGLBSA-N 0 0 348.384 2.606 10 5 EFBERN CCN1C[C@H](c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000351375377 476428884 /nfs/dbraw/zinc/42/88/84/476428884.db2.gz BAJJSDMKBGUSMN-LLVKDONJSA-N 0 0 344.371 2.640 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1cnc(C2CC2)nc1 ZINC000362830061 476430774 /nfs/dbraw/zinc/43/07/74/476430774.db2.gz JHLIPVHUOPNMDC-UHFFFAOYSA-N 0 0 326.356 2.543 10 5 EFBERN COCCN(Cc1scnc1C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000362840484 476435955 /nfs/dbraw/zinc/43/59/55/476435955.db2.gz GUUXIVBHPYLPHU-UHFFFAOYSA-N 0 0 340.380 2.734 10 5 EFBERN CCN1C[C@H](c2noc(-c3ccc(SC)c([N+](=O)[O-])c3)n2)CC1=O ZINC000351393009 476436862 /nfs/dbraw/zinc/43/68/62/476436862.db2.gz VYFODXMGFFRCCY-SNVBAGLBSA-N 0 0 348.384 2.703 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)N2CC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000377530156 476437244 /nfs/dbraw/zinc/43/72/44/476437244.db2.gz MRAKMIBCHIZWRS-LLVKDONJSA-N 0 0 348.403 2.622 10 5 EFBERN Cc1ccc(C(=O)Nc2ccc(OCCO)c(C)c2)cc1[N+](=O)[O-] ZINC000360866812 476439261 /nfs/dbraw/zinc/43/92/61/476439261.db2.gz GNXCUXYIALYGHP-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN COC(=O)[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000360873938 476444715 /nfs/dbraw/zinc/44/47/15/476444715.db2.gz RRAAKAZFHXTHSP-CYBMUJFWSA-N 0 0 347.346 2.881 10 5 EFBERN CCN1C[C@@H](c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000351422665 476450189 /nfs/dbraw/zinc/45/01/89/476450189.db2.gz FLPWBADPECUVML-FPMFFAJLSA-N 0 0 342.355 2.585 10 5 EFBERN CO[C@@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1ccccc1Cl ZINC000357558934 476453259 /nfs/dbraw/zinc/45/32/59/476453259.db2.gz NIPWMEKFTSMYFE-GFCCVEGCSA-N 0 0 349.734 2.768 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCCC[C@@H](CO)C2)c(Br)c1 ZINC000374104869 476454293 /nfs/dbraw/zinc/45/42/93/476454293.db2.gz GTALMJWRQUHQGP-SNVBAGLBSA-N 0 0 329.194 2.956 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@H](O)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000354138689 476454457 /nfs/dbraw/zinc/45/44/57/476454457.db2.gz QHTZOLJRVHGFLQ-GJZGRUSLSA-N 0 0 335.404 2.848 10 5 EFBERN CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000360888369 476455816 /nfs/dbraw/zinc/45/58/16/476455816.db2.gz LWELSWBSXOZROJ-QWRGUYRKSA-N 0 0 330.406 2.706 10 5 EFBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OCCO ZINC000360890617 476457496 /nfs/dbraw/zinc/45/74/96/476457496.db2.gz BJYCZRAARWYIJM-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN COc1cc(-c2nc(COC[C@H]3CCOC3)no2)cc([N+](=O)[O-])c1C ZINC000351450989 476463325 /nfs/dbraw/zinc/46/33/25/476463325.db2.gz QQMDBRXQTXDWHU-NSHDSACASA-N 0 0 349.343 2.515 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000362917372 476480744 /nfs/dbraw/zinc/48/07/44/476480744.db2.gz KGYSVMHHHLFFSK-SNVBAGLBSA-N 0 0 334.344 2.759 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCc1ccc(F)cc1 ZINC000360925406 476480789 /nfs/dbraw/zinc/48/07/89/476480789.db2.gz VHKOSRIRUKYKBW-UHFFFAOYSA-N 0 0 338.285 2.914 10 5 EFBERN COc1cc(CSc2nnc(C(F)F)n2C)ccc1[N+](=O)[O-] ZINC000360936150 476487909 /nfs/dbraw/zinc/48/79/09/476487909.db2.gz MIYYDUDKERXJBU-UHFFFAOYSA-N 0 0 330.316 2.962 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CCO)CCC1 ZINC000360945633 476494277 /nfs/dbraw/zinc/49/42/77/476494277.db2.gz SFXZPGVUDDVSKK-OAHLLOKOSA-N 0 0 334.416 2.832 10 5 EFBERN CCN(CC)C(=O)C1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000360949553 476496843 /nfs/dbraw/zinc/49/68/43/476496843.db2.gz NKIYPECVTNHZRW-UHFFFAOYSA-N 0 0 347.415 2.882 10 5 EFBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363957435 476505418 /nfs/dbraw/zinc/50/54/18/476505418.db2.gz DENUPADGGUIKCI-MLGOLLRUSA-N 0 0 327.340 2.592 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000360970308 476514500 /nfs/dbraw/zinc/51/45/00/476514500.db2.gz ZIHHDLXOIYVLPV-KRWDZBQOSA-N 0 0 348.399 2.562 10 5 EFBERN CC(C)CO[C@@H](C)c1noc(CN(C)c2ccncc2[N+](=O)[O-])n1 ZINC000360993963 476530360 /nfs/dbraw/zinc/53/03/60/476530360.db2.gz GDZXAXWURDWVFI-NSHDSACASA-N 0 0 335.364 2.743 10 5 EFBERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000374816495 476541235 /nfs/dbraw/zinc/54/12/35/476541235.db2.gz FMWQDPFEFDIWMQ-LBPRGKRZSA-N 0 0 349.416 2.717 10 5 EFBERN Cc1nc([C@@H]2COCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000374816618 476541452 /nfs/dbraw/zinc/54/14/52/476541452.db2.gz FXBSWQNCNUKLQG-ZDUSSCGKSA-N 0 0 338.751 2.513 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](Cc2ccncc2)C1 ZINC000361034550 476555903 /nfs/dbraw/zinc/55/59/03/476555903.db2.gz LQRIVYWAYPNFIV-CYBMUJFWSA-N 0 0 329.331 2.834 10 5 EFBERN CCOc1cc(CN2C(=O)N[C@@](CC)(C3CC3)C2=O)ccc1[N+](=O)[O-] ZINC000352213221 476556743 /nfs/dbraw/zinc/55/67/43/476556743.db2.gz FYKGCKQNWNEWHQ-KRWDZBQOSA-N 0 0 347.371 2.604 10 5 EFBERN Cc1nnccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000354287946 476562257 /nfs/dbraw/zinc/56/22/57/476562257.db2.gz MPCCLSFMBRJHRM-UHFFFAOYSA-N 0 0 341.371 2.548 10 5 EFBERN O=[N+]([O-])c1cnccc1N1CC(OCCCOc2ccccc2)C1 ZINC000361046902 476565455 /nfs/dbraw/zinc/56/54/55/476565455.db2.gz TTXVVNOZKRMMKU-UHFFFAOYSA-N 0 0 329.356 2.664 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000352230762 476568533 /nfs/dbraw/zinc/56/85/33/476568533.db2.gz ZRRZTCIEVZGEIM-HTQZYQBOSA-N 0 0 334.298 2.683 10 5 EFBERN COc1cc(N2CCO[C@@H](COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000357749626 476576073 /nfs/dbraw/zinc/57/60/73/476576073.db2.gz ROJGRUVMLUXHNT-MRXNPFEDSA-N 0 0 344.367 2.888 10 5 EFBERN COc1cc(N2CCO[C@H](COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000357749622 476576493 /nfs/dbraw/zinc/57/64/93/476576493.db2.gz ROJGRUVMLUXHNT-INIZCTEOSA-N 0 0 344.367 2.888 10 5 EFBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc(-n2cccn2)c1 ZINC000354322370 476585549 /nfs/dbraw/zinc/58/55/49/476585549.db2.gz QVCOXIZTCPYRTD-UHFFFAOYSA-N 0 0 347.334 2.539 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](COc3ccccc3)C2)n1 ZINC000357762867 476585631 /nfs/dbraw/zinc/58/56/31/476585631.db2.gz YDUYKDYZQGRZAT-OAHLLOKOSA-N 0 0 329.356 2.582 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2cc(F)ccc2N2CCOCC2)cn1 ZINC000354329506 476590468 /nfs/dbraw/zinc/59/04/68/476590468.db2.gz YFKTVWUZFUIPHY-UHFFFAOYSA-N 0 0 332.335 2.578 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](CO)C2CC2)nc1-c1ccc(F)cc1 ZINC000357779437 476597055 /nfs/dbraw/zinc/59/70/55/476597055.db2.gz FWXBAHXPXDNIKP-CYBMUJFWSA-N 0 0 331.347 2.648 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000374931352 476601658 /nfs/dbraw/zinc/60/16/58/476601658.db2.gz ONGKIYNHAAXEDC-ZDUSSCGKSA-N 0 0 345.330 2.610 10 5 EFBERN COc1cc(CNc2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000352270907 476602313 /nfs/dbraw/zinc/60/23/13/476602313.db2.gz LLOMFGUHXWPLRZ-UHFFFAOYSA-N 0 0 336.369 2.619 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C2CC2)C1 ZINC000369954098 476603331 /nfs/dbraw/zinc/60/33/31/476603331.db2.gz FJJSDGLYVJXJLL-QGZVFWFLSA-N 0 0 347.415 2.738 10 5 EFBERN Cc1nn(C)c(C(=O)N2CCC(C)=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000374987246 476623198 /nfs/dbraw/zinc/62/31/98/476623198.db2.gz QQUNPQCFRMZJLA-UHFFFAOYSA-N 0 0 330.344 2.549 10 5 EFBERN Cc1c(CNC(=O)C(=O)NC2CCC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000352307202 476626820 /nfs/dbraw/zinc/62/68/20/476626820.db2.gz YZQRMFKLIVDJPG-UHFFFAOYSA-N 0 0 347.415 2.604 10 5 EFBERN C[C@@H]1CCOCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000375000536 476627989 /nfs/dbraw/zinc/62/79/89/476627989.db2.gz XDYQOLKHRWSERA-SECBINFHSA-N 0 0 343.177 2.608 10 5 EFBERN Cc1ccncc1CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000357839449 476641887 /nfs/dbraw/zinc/64/18/87/476641887.db2.gz YPUKSLPHVARUBJ-UHFFFAOYSA-N 0 0 329.356 2.726 10 5 EFBERN COC(=O)c1cc(N(C)CCc2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000354432575 476658816 /nfs/dbraw/zinc/65/88/16/476658816.db2.gz DUQJDDGUJPHGCP-UHFFFAOYSA-N 0 0 329.356 2.764 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000365671472 476669990 /nfs/dbraw/zinc/66/99/90/476669990.db2.gz DVSJEUCXUKGOTB-AWEZNQCLSA-N 0 0 342.399 2.968 10 5 EFBERN Cc1c(NC(=O)NC2(CO)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000370113214 476671576 /nfs/dbraw/zinc/67/15/76/476671576.db2.gz QWNKEVDLKKNTBA-UHFFFAOYSA-N 0 0 341.367 2.555 10 5 EFBERN COc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000354465216 476676258 /nfs/dbraw/zinc/67/62/58/476676258.db2.gz PCPIMBNJFJAQFP-UHFFFAOYSA-N 0 0 339.149 2.768 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000375107869 476678241 /nfs/dbraw/zinc/67/82/41/476678241.db2.gz JBNLRCZRPOQERK-SNVBAGLBSA-N 0 0 333.294 2.898 10 5 EFBERN COc1cccc(NCc2ccnc(-n3ccnc3)c2)c1[N+](=O)[O-] ZINC000378045299 476678213 /nfs/dbraw/zinc/67/82/13/476678213.db2.gz PIVKDURNXZDFII-UHFFFAOYSA-N 0 0 325.328 2.796 10 5 EFBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000370145141 476678294 /nfs/dbraw/zinc/67/82/94/476678294.db2.gz VBWYXBSAQVHWFT-XHSDSOJGSA-N 0 0 328.372 2.699 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccn2)CC1 ZINC000370160352 476682113 /nfs/dbraw/zinc/68/21/13/476682113.db2.gz KHCVRBGRHRHIQU-UHFFFAOYSA-N 0 0 344.346 2.731 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000378137092 476684627 /nfs/dbraw/zinc/68/46/27/476684627.db2.gz GIEUGAQXBSSORN-ZDUSSCGKSA-N 0 0 330.315 2.776 10 5 EFBERN Cc1sc(C(=O)N2CCC[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000370180222 476686580 /nfs/dbraw/zinc/68/65/80/476686580.db2.gz CGDPNKQNVZESNE-NSHDSACASA-N 0 0 334.401 2.718 10 5 EFBERN Cc1c(NCCn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000429784918 476690449 /nfs/dbraw/zinc/69/04/49/476690449.db2.gz PNFYEBLJJPMLMQ-UHFFFAOYSA-N 0 0 325.166 2.974 10 5 EFBERN Cc1noc(C)c1CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375157923 476693940 /nfs/dbraw/zinc/69/39/40/476693940.db2.gz HDYXZDKPZXVYDJ-INIZCTEOSA-N 0 0 331.372 2.991 10 5 EFBERN O=C(NC1(CCO)CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413701590 476696251 /nfs/dbraw/zinc/69/62/51/476696251.db2.gz UDTWTQWAYGCLPT-JKSUJKDBSA-N 0 0 332.400 2.900 10 5 EFBERN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000375162359 476696593 /nfs/dbraw/zinc/69/65/93/476696593.db2.gz XAYPIBIJBPQYQD-CYBMUJFWSA-N 0 0 345.355 2.631 10 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O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456878896 476773052 /nfs/dbraw/zinc/77/30/52/476773052.db2.gz KISDTUKISYHZAY-JQWIXIFHSA-N 0 0 327.340 2.625 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456878621 476773250 /nfs/dbraw/zinc/77/32/50/476773250.db2.gz KBFQBNSNOJWTLQ-WFASDCNBSA-N 0 0 326.356 2.556 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000413876016 476775793 /nfs/dbraw/zinc/77/57/93/476775793.db2.gz SQAJYQMPMQKRGX-OAHLLOKOSA-N 0 0 334.372 2.635 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000456897443 476781752 /nfs/dbraw/zinc/78/17/52/476781752.db2.gz DCIAJOHFOQOKMB-GJZGRUSLSA-N 0 0 329.400 2.971 10 5 EFBERN CC[C@@H]1CC[C@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000452033501 476785406 /nfs/dbraw/zinc/78/54/06/476785406.db2.gz GUCFOPBKNPPMFD-QWHCGFSZSA-N 0 0 326.418 2.935 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1cnn(C)c1)C(F)(F)F ZINC000430245447 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477014446 /nfs/dbraw/zinc/01/44/46/477014446.db2.gz VBUYMTHTKLMQEC-VHFNBUCGSA-N 0 0 338.367 2.755 10 5 EFBERN C[C@@]12CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000452606144 477016022 /nfs/dbraw/zinc/01/60/22/477016022.db2.gz OPWVQUAXWYWXGY-VMWDTQKESA-N 0 0 342.351 2.608 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CC(C)(C)CC3)n1 ZINC000416096527 477017194 /nfs/dbraw/zinc/01/71/94/477017194.db2.gz FCHFPAANFHMBQO-UHFFFAOYSA-N 0 0 335.389 2.552 10 5 EFBERN O=C(c1[nH]ccc1C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000457441423 477020809 /nfs/dbraw/zinc/02/08/09/477020809.db2.gz QWIUFLFHEZIKBD-UHFFFAOYSA-N 0 0 340.383 2.763 10 5 EFBERN CCOc1cccc(N2C[C@H](CC)O[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000366478458 477028448 /nfs/dbraw/zinc/02/84/48/477028448.db2.gz PCWMVLKLNPCYPE-SUMWQHHRSA-N 0 0 336.388 2.768 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000452651035 477030903 /nfs/dbraw/zinc/03/09/03/477030903.db2.gz 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0 0 349.412 2.779 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)c(C)cc1[N+](=O)[O-] ZINC000416389496 477156912 /nfs/dbraw/zinc/15/69/12/477156912.db2.gz XVDCQBWPLFBDFH-ZDUSSCGKSA-N 0 0 349.412 2.988 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC12CCC2 ZINC000366744449 477165472 /nfs/dbraw/zinc/16/54/72/477165472.db2.gz IVXVMYFZQASUTL-UHFFFAOYSA-N 0 0 337.763 2.732 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000376105083 477176218 /nfs/dbraw/zinc/17/62/18/477176218.db2.gz ZCJWYCONKPFAFL-CYBMUJFWSA-N 0 0 330.344 2.694 10 5 EFBERN CC[C@@H](CC(F)F)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000457748903 477178213 /nfs/dbraw/zinc/17/82/13/477178213.db2.gz AVACGPLRVHLBCB-QMMMGPOBSA-N 0 0 326.303 2.769 10 5 EFBERN CN(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000416458169 477179705 /nfs/dbraw/zinc/17/97/05/477179705.db2.gz PJZONJKZLYFULW-UHFFFAOYSA-N 0 0 330.319 2.743 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2N)c(C)cc1[N+](=O)[O-] ZINC000416465150 477180647 /nfs/dbraw/zinc/18/06/47/477180647.db2.gz KSFCOLBZDGBQOY-UHFFFAOYSA-N 0 0 349.412 2.615 10 5 EFBERN O=C(Nc1nc2c(s1)CSCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376113393 477181815 /nfs/dbraw/zinc/18/18/15/477181815.db2.gz KEDKMWUZNNEDQZ-UHFFFAOYSA-N 0 0 337.382 2.799 10 5 EFBERN CC/C(C)=C\c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000453167179 477184332 /nfs/dbraw/zinc/18/43/32/477184332.db2.gz ALZDXMYQSLWGOZ-FLIBITNWSA-N 0 0 330.344 2.650 10 5 EFBERN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1C1CC1 ZINC000371228581 477186317 /nfs/dbraw/zinc/18/63/17/477186317.db2.gz HTDHTZLUSDCTFZ-AWEZNQCLSA-N 0 0 326.356 2.795 10 5 EFBERN CCOCCCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453228476 477194011 /nfs/dbraw/zinc/19/40/11/477194011.db2.gz BXBIPKVIPZMDTN-UHFFFAOYSA-N 0 0 332.360 2.972 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC2CCC1CC2 ZINC000411323023 477194561 /nfs/dbraw/zinc/19/45/61/477194561.db2.gz DUGHSSVLXFUTQK-PIMMBPRGSA-N 0 0 345.399 2.845 10 5 EFBERN CCN(Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CC1 ZINC000453243341 477195066 /nfs/dbraw/zinc/19/50/66/477195066.db2.gz XFYYHBINGXTOJZ-UHFFFAOYSA-N 0 0 343.387 2.987 10 5 EFBERN CCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453237503 477196314 /nfs/dbraw/zinc/19/63/14/477196314.db2.gz MRSHQCKJUZRUGB-UHFFFAOYSA-N 0 0 331.376 2.845 10 5 EFBERN CC(C)(C)C1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416524190 477200787 /nfs/dbraw/zinc/20/07/87/477200787.db2.gz TVMQCTCUIIKEHW-UHFFFAOYSA-N 0 0 332.809 2.915 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@@H]2CCC(F)(F)C2)c(C)cc1[N+](=O)[O-] ZINC000416526844 477203253 /nfs/dbraw/zinc/20/32/53/477203253.db2.gz OTGVFRLSDJFQBD-LLVKDONJSA-N 0 0 348.371 2.925 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C2CCC2)CCC1 ZINC000416558162 477215707 /nfs/dbraw/zinc/21/57/07/477215707.db2.gz OPMXMQPRZIOWCB-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN C[C@H]1COCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000432461691 477220542 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EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(C(C)C)nn1 ZINC000432777886 477263454 /nfs/dbraw/zinc/26/34/54/477263454.db2.gz WTMLKKOVDVWVAK-UHFFFAOYSA-N 0 0 331.376 2.818 10 5 EFBERN COc1ccc(C(=O)N2CC(OC)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000376275588 477264141 /nfs/dbraw/zinc/26/41/41/477264141.db2.gz QISMOGFVJFLOHO-UHFFFAOYSA-N 0 0 342.351 2.601 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H]1CCOC[C@H]1C ZINC000432877181 477285174 /nfs/dbraw/zinc/28/51/74/477285174.db2.gz ICHKHIYAHBXZPA-NOZJJQNGSA-N 0 0 326.324 2.748 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCS2)n1C ZINC000424086297 477286625 /nfs/dbraw/zinc/28/66/25/477286625.db2.gz GKPZIEXHKRAWNR-ZDUSSCGKSA-N 0 0 333.417 2.928 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCS2)n1C ZINC000424098783 477290831 /nfs/dbraw/zinc/29/08/31/477290831.db2.gz LITSVCIHUBGUGY-CQSZACIVSA-N 0 0 347.444 2.970 10 5 EFBERN CC1(C)CC[C@@H](N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000424102104 477292645 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EFBERN O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000367092056 477338646 /nfs/dbraw/zinc/33/86/46/477338646.db2.gz CMCSONICUBYIAO-UHFFFAOYSA-N 0 0 347.415 2.685 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000454717691 477342888 /nfs/dbraw/zinc/34/28/88/477342888.db2.gz HHTHUXCBUUTEKI-RDJZCZTQSA-N 0 0 349.431 2.888 10 5 EFBERN C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000448946875 477353004 /nfs/dbraw/zinc/35/30/04/477353004.db2.gz RTXFMNQBFKIJGF-PWSUYJOCSA-N 0 0 346.412 2.809 10 5 EFBERN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000435801179 477372582 /nfs/dbraw/zinc/37/25/82/477372582.db2.gz SVZNJZLIVSYYHM-IGNZVWTISA-N 0 0 337.379 2.924 10 5 EFBERN C[C@@H]1[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000435802802 477373275 /nfs/dbraw/zinc/37/32/75/477373275.db2.gz ZIZFOBMODVKKGY-CIISACIHSA-N 0 0 336.351 2.881 10 5 EFBERN CCOc1ccc(C(=O)N(CC2CCC2)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000435862895 477383224 /nfs/dbraw/zinc/38/32/24/477383224.db2.gz RIXALAAYJXAHES-LBPRGKRZSA-N 0 0 336.388 2.617 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C)(C)C[C@H]1C ZINC000411843877 477389922 /nfs/dbraw/zinc/38/99/22/477389922.db2.gz LLANYWPSGAKDQP-GFCCVEGCSA-N 0 0 333.388 2.797 10 5 EFBERN CCOC[C@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454846323 477401016 /nfs/dbraw/zinc/40/10/16/477401016.db2.gz ZDFXOWXSOOAMQS-ZFWWWQNUSA-N 0 0 335.404 2.909 10 5 EFBERN CC[C@H]1[C@@H](CO)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000458414363 477403102 /nfs/dbraw/zinc/40/31/02/477403102.db2.gz GWTCDSDTTCSIQB-WBVHZDCISA-N 0 0 349.431 2.720 10 5 EFBERN Cc1c(CNC(=O)N2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000454852100 477404069 /nfs/dbraw/zinc/40/40/69/477404069.db2.gz IQRBCFXOYWAZDU-KRWDZBQOSA-N 0 0 333.388 2.615 10 5 EFBERN COc1cccc(C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)c1[N+](=O)[O-] ZINC000436025114 477408066 /nfs/dbraw/zinc/40/80/66/477408066.db2.gz 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O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367312325 477448690 /nfs/dbraw/zinc/44/86/90/477448690.db2.gz MJJUVCTWZVMEGO-QGZVFWFLSA-N 0 0 346.408 2.823 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCOc2cccc(F)c2C1 ZINC000367331048 477458629 /nfs/dbraw/zinc/45/86/29/477458629.db2.gz RKESSUXCBFJDKI-UHFFFAOYSA-N 0 0 334.278 2.908 10 5 EFBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCn2nccc21 ZINC000436371332 477470031 /nfs/dbraw/zinc/47/00/31/477470031.db2.gz QKULZYZLZYXGCV-UHFFFAOYSA-N 0 0 344.374 2.928 10 5 EFBERN O=C([C@@H]1CCC[C@H](F)C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000424680608 477476962 /nfs/dbraw/zinc/47/69/62/477476962.db2.gz URSNUCARZQMSCF-AGIUHOORSA-N 0 0 336.367 2.531 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cc3c(cn2)OCCO3)cc1[N+](=O)[O-] ZINC000424719026 477493894 /nfs/dbraw/zinc/49/38/94/477493894.db2.gz YFWBZACYPFUDFP-NSHDSACASA-N 0 0 343.339 2.560 10 5 EFBERN COc1cc(OC)c(CNc2ncc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000413065754 477497228 /nfs/dbraw/zinc/49/72/28/477497228.db2.gz AYGOPIZBTMRDIM-UHFFFAOYSA-N 0 0 337.307 2.767 10 5 EFBERN C[C@@H]1[C@H](Nc2ccc(N)cc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000367417316 477499418 /nfs/dbraw/zinc/49/94/18/477499418.db2.gz FLUCADZBISSSMF-MLGOLLRUSA-N 0 0 340.383 2.779 10 5 EFBERN CCOC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413089083 477510127 /nfs/dbraw/zinc/51/01/27/477510127.db2.gz WKVJQKXTIVJRPO-CYBMUJFWSA-N 0 0 347.346 2.963 10 5 EFBERN Nc1ccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000371862568 477530910 /nfs/dbraw/zinc/53/09/10/477530910.db2.gz CYLACZWJNQHPFO-INIZCTEOSA-N 0 0 333.388 2.598 10 5 EFBERN C[C@@H](NC(=O)N1CCO[C@H](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000413134684 477538470 /nfs/dbraw/zinc/53/84/70/477538470.db2.gz IWOGZBYRLRNRFF-WBMJQRKESA-N 0 0 333.388 2.866 10 5 EFBERN COC(=O)c1cc(NC(=O)N2CC[C@H]2C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000455272898 477569415 /nfs/dbraw/zinc/56/94/15/477569415.db2.gz NTTANECLLUAUOF-ZDUSSCGKSA-N 0 0 333.344 2.706 10 5 EFBERN O=c1[nH]ccc2c1CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000413261468 477595998 /nfs/dbraw/zinc/59/59/98/477595998.db2.gz KPMVJUXSFNQHNE-UHFFFAOYSA-N 0 0 340.261 2.672 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000450474144 477599901 /nfs/dbraw/zinc/59/99/01/477599901.db2.gz JDHGLKGRGRVQPP-ZFWWWQNUSA-N 0 0 333.388 2.938 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000372014534 477600627 /nfs/dbraw/zinc/60/06/27/477600627.db2.gz ZMTGJPKCMDZDPF-HNNXBMFYSA-N 0 0 347.758 2.857 10 5 EFBERN CN(CC(=O)N[C@H]1C[C@]1(F)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000425014569 477601588 /nfs/dbraw/zinc/60/15/88/477601588.db2.gz SSNVGURAZDOVSR-WMZOPIPTSA-N 0 0 343.358 2.785 10 5 EFBERN CC[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000450495597 477607032 /nfs/dbraw/zinc/60/70/32/477607032.db2.gz VXPOQTKYTFDJEE-ACJLOTCBSA-N 0 0 343.383 2.917 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000372038757 477609962 /nfs/dbraw/zinc/60/99/62/477609962.db2.gz OYIWJZWUBXVWQD-SJLPKXTDSA-N 0 0 348.399 2.929 10 5 EFBERN O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000413315277 477624016 /nfs/dbraw/zinc/62/40/16/477624016.db2.gz JRCPIPSIQVHMLF-GWCFXTLKSA-N 0 0 341.289 2.893 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)NC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000455419964 477625651 /nfs/dbraw/zinc/62/56/51/477625651.db2.gz SAKZEJPNAFPMRM-KRWDZBQOSA-N 0 0 348.403 2.683 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(N2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000450554901 477630690 /nfs/dbraw/zinc/63/06/90/477630690.db2.gz LKCWCMIMGDWYEX-QGZVFWFLSA-N 0 0 346.362 2.888 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H](C)c1csnn1)c1cccc([N+](=O)[O-])c1 ZINC000413348776 477641058 /nfs/dbraw/zinc/64/10/58/477641058.db2.gz DZDIUOZEAHDEKK-JOYOIKCWSA-N 0 0 335.389 2.958 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2ccc(Cl)cc2COC)c1[N+](=O)[O-] ZINC000425118341 477641447 /nfs/dbraw/zinc/64/14/47/477641447.db2.gz XYXUNWOGOCWBNA-UHFFFAOYSA-N 0 0 338.751 2.932 10 5 EFBERN Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425140634 477647045 /nfs/dbraw/zinc/64/70/45/477647045.db2.gz NDRUQMCBLZJXPQ-CLLJXQQHSA-N 0 0 326.356 2.524 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2c3ccccc3C[C@@H]2O)s1 ZINC000367714507 477650744 /nfs/dbraw/zinc/65/07/44/477650744.db2.gz CFSZEULBVFSLDK-AAEUAGOBSA-N 0 0 328.353 2.670 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455497832 477661436 /nfs/dbraw/zinc/66/14/36/477661436.db2.gz UTSHPDIPFHUVCK-GDBMZVCRSA-N 0 0 347.415 2.909 10 5 EFBERN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(C(F)(F)F)CCC1 ZINC000450631216 477662591 /nfs/dbraw/zinc/66/25/91/477662591.db2.gz CACPITBKHZKBPW-UHFFFAOYSA-N 0 0 329.278 2.607 10 5 EFBERN O=[N+]([O-])c1cccc2c(N3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)ccnc21 ZINC000450650086 477668493 /nfs/dbraw/zinc/66/84/93/477668493.db2.gz MTVFUCOMPOSGGZ-XNJGSVPQSA-N 0 0 343.383 2.509 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000450655886 477671756 /nfs/dbraw/zinc/67/17/56/477671756.db2.gz YCRBGXGTHXZBTM-SQWLQELKSA-N 0 0 343.383 2.509 10 5 EFBERN Cc1ccnc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000450656732 477672684 /nfs/dbraw/zinc/67/26/84/477672684.db2.gz KLAZOWFICVNOSA-RHSMWYFYSA-N 0 0 331.347 2.603 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)n1 ZINC000450662022 477675018 /nfs/dbraw/zinc/67/50/18/477675018.db2.gz VYCFVSIEMIXKKT-CRAIPNDOSA-N 0 0 345.374 2.911 10 5 EFBERN Cn1nccc1[C@H](CO)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000413429028 477675481 /nfs/dbraw/zinc/67/54/81/477675481.db2.gz CNBVECLGQSYAEQ-LBPRGKRZSA-N 0 0 334.376 2.651 10 5 EFBERN Cc1c(CC(=O)N2CCOC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000372178776 477680449 /nfs/dbraw/zinc/68/04/49/477680449.db2.gz AQXXOAOXYSJTOV-HNNXBMFYSA-N 0 0 330.340 2.639 10 5 EFBERN CCOC(=O)c1ccnc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000450699494 477687652 /nfs/dbraw/zinc/68/76/52/477687652.db2.gz YUENUJFXLQHKOK-MCTLKSGKSA-N 0 0 343.383 2.815 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccncn3)CC2)c1 ZINC000413470583 477691049 /nfs/dbraw/zinc/69/10/49/477691049.db2.gz NMFIATGRHISGDN-UHFFFAOYSA-N 0 0 342.355 2.555 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@@H](C2CCC2)C1 ZINC000413469980 477691419 /nfs/dbraw/zinc/69/14/19/477691419.db2.gz CDLYEFGTIAZNEL-MRXNPFEDSA-N 0 0 334.372 2.695 10 5 EFBERN CC(C)n1cc(C2=CCCN(c3ccncc3[N+](=O)[O-])CC2)nn1 ZINC000450721311 477696122 /nfs/dbraw/zinc/69/61/22/477696122.db2.gz WUKMTSJALBFGMB-UHFFFAOYSA-N 0 0 328.376 2.846 10 5 EFBERN Cc1ccc(CC2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000367812159 477700535 /nfs/dbraw/zinc/70/05/35/477700535.db2.gz WTRJLDWKMOAQRY-UHFFFAOYSA-N 0 0 342.399 2.732 10 5 EFBERN CCC1(CC)CN(Cc2c(F)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC000425979275 477701740 /nfs/dbraw/zinc/70/17/40/477701740.db2.gz KMCHDYVHENHDKR-UHFFFAOYSA-N 0 0 344.408 2.523 10 5 EFBERN COC(=O)c1cncc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000450752552 477705090 /nfs/dbraw/zinc/70/50/90/477705090.db2.gz FXQQIDHXTKVZJB-ZDUSSCGKSA-N 0 0 342.355 2.555 10 5 EFBERN COC(=O)c1cc(N[C@@H]([C@H](CO)C2CC2)C2CC2)cc(C)c1[N+](=O)[O-] ZINC000450768672 477708865 /nfs/dbraw/zinc/70/88/65/477708865.db2.gz DARSKCSEHRTIKU-HZPDHXFCSA-N 0 0 348.399 2.899 10 5 EFBERN CSc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000437502523 477712455 /nfs/dbraw/zinc/71/24/55/477712455.db2.gz BFNFFKCJCXEGDF-UHFFFAOYSA-N 0 0 331.397 2.993 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(F)cn2)CC1 ZINC000367839777 477713501 /nfs/dbraw/zinc/71/35/01/477713501.db2.gz CPXNEEFGLCQAPK-UHFFFAOYSA-N 0 0 344.346 2.658 10 5 EFBERN CCc1ncc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000459048007 477717100 /nfs/dbraw/zinc/71/71/00/477717100.db2.gz JBDYFOKGEDVYEV-UHFFFAOYSA-N 0 0 332.360 2.880 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCO[C@@H](c4ccncc4)C3)nc2c1 ZINC000450798666 477720793 /nfs/dbraw/zinc/72/07/93/477720793.db2.gz RVKYXDPQEFBNAH-BLLLJJGKSA-N 0 0 339.355 2.620 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2N[C@H](C)COC)n1 ZINC000437592588 477723556 /nfs/dbraw/zinc/72/35/56/477723556.db2.gz RFJVSJSPISZGBZ-LLVKDONJSA-N 0 0 347.375 2.510 10 5 EFBERN CCOc1cc(N2CC(CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000413549525 477724540 /nfs/dbraw/zinc/72/45/40/477724540.db2.gz JEJBNFHZPJUSDR-UHFFFAOYSA-N 0 0 328.368 2.744 10 5 EFBERN C[C@H]1CC(C)(C)CN1c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000413555155 477727127 /nfs/dbraw/zinc/72/71/27/477727127.db2.gz COUIXMPCNZTDHX-ZDUSSCGKSA-N 0 0 347.415 2.692 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC(CO)(c2ccccc2)C1 ZINC000413560376 477728275 /nfs/dbraw/zinc/72/82/75/477728275.db2.gz ZWECHVGOYQZGQM-UHFFFAOYSA-N 0 0 326.352 2.548 10 5 EFBERN COc1ccc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000426629211 477729370 /nfs/dbraw/zinc/72/93/70/477729370.db2.gz BIHFIMIQFGIJRR-PXAZEXFGSA-N 0 0 336.388 2.974 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000367888792 477738775 /nfs/dbraw/zinc/73/87/75/477738775.db2.gz BJBIFPJFERDIJF-UHFFFAOYSA-N 0 0 348.384 2.901 10 5 EFBERN COC(=O)c1cc(N[C@@H]2CCCC(F)(F)[C@H]2O)cc(C)c1[N+](=O)[O-] ZINC000413585797 477739550 /nfs/dbraw/zinc/73/95/50/477739550.db2.gz VATCSUKHLNRWRY-YPMHNXCESA-N 0 0 344.314 2.650 10 5 EFBERN CC(C)N(C[C@@H]1CCC(=O)N1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000413595131 477744014 /nfs/dbraw/zinc/74/40/14/477744014.db2.gz NZGGBSYLVOKEGX-ZDUSSCGKSA-N 0 0 328.372 2.636 10 5 EFBERN CCOc1cccc(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000450875006 477745344 /nfs/dbraw/zinc/74/53/44/477745344.db2.gz FCVLGQKNOHYLAK-NOZJJQNGSA-N 0 0 334.294 2.743 10 5 EFBERN CCOc1cc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000450873643 477745915 /nfs/dbraw/zinc/74/59/15/477745915.db2.gz DCHIAWPOVIDAHY-TVQRCGJNSA-N 0 0 334.294 2.743 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2CCN(CC(F)(F)F)C[C@H](C)C2)c1 ZINC000450882099 477748256 /nfs/dbraw/zinc/74/82/56/477748256.db2.gz ZTLSMFSRAIUCQV-NSHDSACASA-N 0 0 347.337 2.924 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3CC[C@H]([C@@H](O)C(F)(F)F)C3)ccc2c1 ZINC000450883633 477748864 /nfs/dbraw/zinc/74/88/64/477748864.db2.gz QKCHWMMRRKSUKW-IINYFYTJSA-N 0 0 341.289 2.893 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c2ncccc21 ZINC000450884711 477749474 /nfs/dbraw/zinc/74/94/74/477749474.db2.gz SSAMHZWMCIOCPZ-LKFCYVNXSA-N 0 0 341.289 2.893 10 5 EFBERN CC[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Oc1ccccc1C ZINC000426884252 477757022 /nfs/dbraw/zinc/75/70/22/477757022.db2.gz XJWWSWMZTMOMEO-CYBMUJFWSA-N 0 0 344.371 2.667 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3Cn3cccn3)nc2c1 ZINC000427984633 477798956 /nfs/dbraw/zinc/79/89/56/477798956.db2.gz QENOGDLTQYAIDM-UHFFFAOYSA-N 0 0 348.366 2.750 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438142796 477802803 /nfs/dbraw/zinc/80/28/03/477802803.db2.gz SRTYLQWLADNZFV-MMPTUQATSA-N 0 0 329.356 2.616 10 5 EFBERN CCOc1ccc(C(=O)N2CCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000456190199 477813256 /nfs/dbraw/zinc/81/32/56/477813256.db2.gz WKMWFOWJARTKNN-AWEZNQCLSA-N 0 0 336.413 2.961 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1cncnc1 ZINC000456191256 477813587 /nfs/dbraw/zinc/81/35/87/477813587.db2.gz QWCSGHAQNZAOKB-LLVKDONJSA-N 0 0 329.360 2.947 10 5 EFBERN CC[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)F ZINC000451084338 477815079 /nfs/dbraw/zinc/81/50/79/477815079.db2.gz QVIQNJCAHLSQMM-VIFPVBQESA-N 0 0 342.751 2.879 10 5 EFBERN COc1ccc(CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000428135990 477826753 /nfs/dbraw/zinc/82/67/53/477826753.db2.gz ALCXXDPHKMXEPN-ZIAGYGMSSA-N 0 0 333.388 2.935 10 5 EFBERN COC(=O)c1ccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000515540797 477838434 /nfs/dbraw/zinc/83/84/34/477838434.db2.gz FGZHZKXQTVYIJY-UHFFFAOYSA-N 0 0 337.335 2.964 10 5 EFBERN CC1(C)CCC[C@](O)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000438480406 477848726 /nfs/dbraw/zinc/84/87/26/477848726.db2.gz AMODZMYYBJHXFI-GOSISDBHSA-N 0 0 349.431 2.844 10 5 EFBERN O=C(N[C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451186452 477866795 /nfs/dbraw/zinc/86/67/95/477866795.db2.gz OIPFOBXRXCHENF-HNNXBMFYSA-N 0 0 326.356 2.843 10 5 EFBERN C=Cc1ccc(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000462128148 477895795 /nfs/dbraw/zinc/89/57/95/477895795.db2.gz GIGQGXOXEMTGAG-UHFFFAOYSA-N 0 0 346.408 2.900 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)[C@H](C)O1 ZINC000451236229 477896644 /nfs/dbraw/zinc/89/66/44/477896644.db2.gz RSYWBVZFBDZNOA-WOPDTQHZSA-N 0 0 344.371 2.623 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456379126 477898953 /nfs/dbraw/zinc/89/89/53/477898953.db2.gz LNJBQKQVYQZZHM-JQWIXIFHSA-N 0 0 330.344 2.626 10 5 EFBERN CC(C)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000558682591 477917526 /nfs/dbraw/zinc/91/75/26/477917526.db2.gz VQDAVRKJCLUJMZ-UHFFFAOYSA-N 0 0 340.323 2.603 10 5 EFBERN Cc1nn(CCC(=O)NCC(C)(C)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000558703545 477922101 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ZINC000600691866 478470476 /nfs/dbraw/zinc/47/04/76/478470476.db2.gz MAWALSICCDEFBO-BONVTDFDSA-N 0 0 341.323 2.810 10 5 EFBERN C[C@]1(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCCS1 ZINC000600691929 478471423 /nfs/dbraw/zinc/47/14/23/478471423.db2.gz AJDMDFWEFNEATE-CVEARBPZSA-N 0 0 349.412 2.648 10 5 EFBERN CCCC[C@@H](COC)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600692121 478471633 /nfs/dbraw/zinc/47/16/33/478471633.db2.gz SSQFUFFWNAQUTI-YOEHRIQHSA-N 0 0 349.387 2.567 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2CCSCC2)C1=O ZINC000600695306 478472575 /nfs/dbraw/zinc/47/25/75/478472575.db2.gz YHCWBCFHMXMSOU-MRXNPFEDSA-N 0 0 349.412 2.505 10 5 EFBERN C[C@@H](C1CCCC1)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600693224 478472756 /nfs/dbraw/zinc/47/27/56/478472756.db2.gz FLWZFYSQDYRVGO-GTNSWQLSSA-N 0 0 331.372 2.941 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2(C3CC3)CC2)C1=O ZINC000600696251 478472787 /nfs/dbraw/zinc/47/27/87/478472787.db2.gz 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CC[C@@H](CSC)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703611 478475514 /nfs/dbraw/zinc/47/55/14/478475514.db2.gz SWIVRTGDJDNWLX-XHDPSFHLSA-N 0 0 337.401 2.503 10 5 EFBERN CCSC1(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000600703806 478475986 /nfs/dbraw/zinc/47/59/86/478475986.db2.gz TWMAYBAWXUNUFZ-OAHLLOKOSA-N 0 0 349.412 2.648 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CC3(CCC3)C2)C1=O ZINC000600706556 478477147 /nfs/dbraw/zinc/47/71/47/478477147.db2.gz RLCVNBWUQFVOHG-MRXNPFEDSA-N 0 0 329.356 2.695 10 5 EFBERN CCC(C)(C)OCCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600707164 478477220 /nfs/dbraw/zinc/47/72/20/478477220.db2.gz TYXZYNRTUHGDKO-QGZVFWFLSA-N 0 0 349.387 2.567 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2CCC(F)CC2)C1=O ZINC000600708807 478479312 /nfs/dbraw/zinc/47/93/12/478479312.db2.gz VYVHSEWRFDMPNK-YUNLISADSA-N 0 0 349.362 2.890 10 5 EFBERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc21 ZINC000600708183 478479435 /nfs/dbraw/zinc/47/94/35/478479435.db2.gz JNNSWASOLFYKLE-JTQLQIEISA-N 0 0 342.355 2.656 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCC[C@@H]3C[C@@H]32)C1=O ZINC000600709414 478479473 /nfs/dbraw/zinc/47/94/73/478479473.db2.gz XVTLHLLWBXJVDS-KEAXFYSCSA-N 0 0 329.356 2.550 10 5 EFBERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc21 ZINC000600709619 478479667 /nfs/dbraw/zinc/47/96/67/478479667.db2.gz OOANFWSNLLTKRN-SECBINFHSA-N 0 0 328.328 2.645 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729985 478484186 /nfs/dbraw/zinc/48/41/86/478484186.db2.gz UHVMZBRHXRPQEQ-INIZCTEOSA-N 0 0 339.355 2.705 10 5 EFBERN C[C@H](CCCc1cccnc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000591175051 478484257 /nfs/dbraw/zinc/48/42/57/478484257.db2.gz ZDDXBBWBWANRJX-GFCCVEGCSA-N 0 0 330.388 2.888 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729500 478484665 /nfs/dbraw/zinc/48/46/65/478484665.db2.gz KGCQXRWHYDDWCK-HNNXBMFYSA-N 0 0 325.328 2.777 10 5 EFBERN CC1=CC[C@@](C)(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000597752438 478489786 /nfs/dbraw/zinc/48/97/86/478489786.db2.gz BXVMBDGPZOZOED-GOSISDBHSA-N 0 0 344.415 2.775 10 5 EFBERN O=C(c1cccc(-n2cccc2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540879860 478499723 /nfs/dbraw/zinc/49/97/23/478499723.db2.gz FRTCRACXNMUAHM-UHFFFAOYSA-N 0 0 348.362 2.979 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNc1cccc2c1CCN(C)C2=O ZINC000594706897 478504598 /nfs/dbraw/zinc/50/45/98/478504598.db2.gz BZJPMYFBBWNMQO-UHFFFAOYSA-N 0 0 341.367 2.844 10 5 EFBERN COC[C@H](CNc1cc(Br)cc([N+](=O)[O-])c1C)OC ZINC000594707425 478506281 /nfs/dbraw/zinc/50/62/81/478506281.db2.gz MYMCYJHPZNNZOU-JTQLQIEISA-N 0 0 333.182 2.739 10 5 EFBERN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cscn1 ZINC000594710371 478507863 /nfs/dbraw/zinc/50/78/63/478507863.db2.gz IDIQRXSWDHWNBT-MFKMUULPSA-N 0 0 332.385 2.507 10 5 EFBERN C[C@]12CCCC[C@H]1CN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600761514 478508356 /nfs/dbraw/zinc/50/83/56/478508356.db2.gz RKOODPRIEYXDSF-SJCJKPOMSA-N 0 0 341.371 2.580 10 5 EFBERN CCC[C@@H](C)[C@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000563292323 478510831 /nfs/dbraw/zinc/51/08/31/478510831.db2.gz DBUNLXYPDUHQMO-YGRLFVJLSA-N 0 0 328.796 2.704 10 5 EFBERN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCC2(CC2)CC1 ZINC000600769180 478511844 /nfs/dbraw/zinc/51/18/44/478511844.db2.gz PRRPLIJOVHUCFN-UHFFFAOYSA-N 0 0 341.371 2.582 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000600770648 478511927 /nfs/dbraw/zinc/51/19/27/478511927.db2.gz BBKOGXBUEIPYCG-GFCCVEGCSA-N 0 0 344.371 2.606 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCC2(CC2)CC1 ZINC000600769208 478511963 /nfs/dbraw/zinc/51/19/63/478511963.db2.gz QXNXOEKKWQYVCQ-UHFFFAOYSA-N 0 0 332.356 2.772 10 5 EFBERN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC2(CC2)CC1 ZINC000600768403 478512411 /nfs/dbraw/zinc/51/24/11/478512411.db2.gz IYLTWVHXOGNGMZ-UHFFFAOYSA-N 0 0 346.387 2.509 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600772520 478514157 /nfs/dbraw/zinc/51/41/57/478514157.db2.gz DHOWTIJMCSBVTJ-AWEZNQCLSA-N 0 0 344.342 2.998 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600772443 478514196 /nfs/dbraw/zinc/51/41/96/478514196.db2.gz JRUJSMRJHYONKU-CYBMUJFWSA-N 0 0 327.340 2.634 10 5 EFBERN O=C([O-])[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000594733884 478519986 /nfs/dbraw/zinc/51/99/86/478519986.db2.gz JIRFPJMWXBPMMT-GVDBMIGSSA-N 0 0 348.399 2.939 10 5 EFBERN C[C@@]1(CCF)NC(=O)N(CCCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000594739919 478522978 /nfs/dbraw/zinc/52/29/78/478522978.db2.gz SNEYZPHZOYORRH-INIZCTEOSA-N 0 0 337.351 2.588 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)c(C)cc1[N+](=O)[O-] ZINC000591327855 478523174 /nfs/dbraw/zinc/52/31/74/478523174.db2.gz UCHMEAZZTQUNSL-BXKDBHETSA-N 0 0 330.381 2.580 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000582158087 478523456 /nfs/dbraw/zinc/52/34/56/478523456.db2.gz PFIKIORKNNIHER-GFCCVEGCSA-N 0 0 342.277 2.845 10 5 EFBERN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](CCc1ccccc1)C(F)F ZINC000600790709 478523760 /nfs/dbraw/zinc/52/37/60/478523760.db2.gz CFMVEFRPGMCJOU-NSHDSACASA-N 0 0 338.314 2.656 10 5 EFBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000591332536 478525332 /nfs/dbraw/zinc/52/53/32/478525332.db2.gz SUZCYUSHDCSHOQ-UHFFFAOYSA-N 0 0 342.417 2.803 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2CCCC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000591328577 478525358 /nfs/dbraw/zinc/52/53/58/478525358.db2.gz VAFFDFOKTWWLKU-GFCCVEGCSA-N 0 0 334.344 2.678 10 5 EFBERN Cc1ccc([C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C2CC2)cc1 ZINC000594743405 478526250 /nfs/dbraw/zinc/52/62/50/478526250.db2.gz UHUOUPZNTXJQLA-OAHLLOKOSA-N 0 0 347.396 2.728 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000600801171 478526386 /nfs/dbraw/zinc/52/63/86/478526386.db2.gz QIAKWSUOVSDDHJ-WAAGHKOSSA-N 0 0 343.177 2.512 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000600801103 478527086 /nfs/dbraw/zinc/52/70/86/478527086.db2.gz PRHZKDXGUISHMX-WAAGHKOSSA-N 0 0 332.278 2.768 10 5 EFBERN C/C=C/C[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600807747 478529466 /nfs/dbraw/zinc/52/94/66/478529466.db2.gz VWTQVHMTNNFXIS-HSWBROFVSA-N 0 0 345.399 2.529 10 5 EFBERN Cc1ccccc1[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CC1 ZINC000594753331 478532096 /nfs/dbraw/zinc/53/20/96/478532096.db2.gz IOULDBBRRGJYBX-OAHLLOKOSA-N 0 0 347.396 2.728 10 5 EFBERN CC(C)CC[C@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594757877 478532677 /nfs/dbraw/zinc/53/26/77/478532677.db2.gz DWDWUWLEPRZFTD-CYBMUJFWSA-N 0 0 341.433 2.969 10 5 EFBERN C[C@H]1CCC[C@H](C)N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000582181083 478532926 /nfs/dbraw/zinc/53/29/26/478532926.db2.gz FRPCZSNZVYEPOO-STQMWFEESA-N 0 0 343.383 2.699 10 5 EFBERN C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cncnc1 ZINC000600819019 478533943 /nfs/dbraw/zinc/53/39/43/478533943.db2.gz PICHLYBJIYMHML-JTQLQIEISA-N 0 0 334.763 2.501 10 5 EFBERN C[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763619 478534505 /nfs/dbraw/zinc/53/45/05/478534505.db2.gz WFODVHICUZJVRE-OCCSQVGLSA-N 0 0 347.396 2.557 10 5 EFBERN CCCCc1cc(=NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[nH][nH]1 ZINC000597841133 478534712 /nfs/dbraw/zinc/53/47/12/478534712.db2.gz HUCLRUUQKJBGGA-UHFFFAOYSA-N 0 0 338.314 2.542 10 5 EFBERN CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764330 478535713 /nfs/dbraw/zinc/53/57/13/478535713.db2.gz KHFRODVZFVUCEA-VXGBXAGGSA-N 0 0 327.406 2.579 10 5 EFBERN C[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594767637 478536300 /nfs/dbraw/zinc/53/63/00/478536300.db2.gz UOOPTXMFWFNOOE-XHDPSFHLSA-N 0 0 347.396 2.592 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000582193450 478537258 /nfs/dbraw/zinc/53/72/58/478537258.db2.gz HOTZPRBUMKCGQK-NSHDSACASA-N 0 0 343.330 2.551 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](CC(C)C)C(=O)OC)c1 ZINC000541114064 478538022 /nfs/dbraw/zinc/53/80/22/478538022.db2.gz DDIUAIJUWUEWPL-LBPRGKRZSA-N 0 0 338.360 2.629 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000594776106 478538657 /nfs/dbraw/zinc/53/86/57/478538657.db2.gz QWZIUVKUIKICAG-AWEZNQCLSA-N 0 0 347.396 2.558 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)c2ccccn2)c1C ZINC000594797367 478544908 /nfs/dbraw/zinc/54/49/08/478544908.db2.gz UYLXWKKRVRSWOG-LBPRGKRZSA-N 0 0 349.412 2.689 10 5 EFBERN CCC(C)(C)[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000594813136 478547998 /nfs/dbraw/zinc/54/79/98/478547998.db2.gz MFVRJUPUYYCVAP-JTQLQIEISA-N 0 0 330.406 2.706 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3CCC3)CC2)c(F)c1 ZINC000594822867 478552915 /nfs/dbraw/zinc/55/29/15/478552915.db2.gz TUQMENMCIASRCD-UHFFFAOYSA-N 0 0 342.392 2.935 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000594834144 478556993 /nfs/dbraw/zinc/55/69/93/478556993.db2.gz RQOKSADGDDDSBW-BLLLJJGKSA-N 0 0 346.408 2.743 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](CCF)C2)c1[N+](=O)[O-] ZINC000594854961 478561468 /nfs/dbraw/zinc/56/14/68/478561468.db2.gz ADMOEBTWXKHLFA-CYBMUJFWSA-N 0 0 344.408 2.972 10 5 EFBERN Cc1cc(S(=O)(=O)NCC[C@]2(C)CC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000594856473 478561635 /nfs/dbraw/zinc/56/16/35/478561635.db2.gz GLAGLCILNIRGEK-CYBMUJFWSA-N 0 0 348.371 2.925 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](CCF)C2)c(C)cc1[N+](=O)[O-] ZINC000594855217 478562133 /nfs/dbraw/zinc/56/21/33/478562133.db2.gz DAMWGIZBDXXGIQ-ZDUSSCGKSA-N 0 0 344.408 2.972 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(C)CC2(F)F)cc1C ZINC000594853542 478562200 /nfs/dbraw/zinc/56/22/00/478562200.db2.gz ZNCYZHHTNWJWFZ-LBPRGKRZSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@]2(C)CC2(F)F)cc1C ZINC000594856854 478562768 /nfs/dbraw/zinc/56/27/68/478562768.db2.gz JJWPZRKYJYOXLP-CYBMUJFWSA-N 0 0 348.371 2.925 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NC[C@@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000594856497 478562787 /nfs/dbraw/zinc/56/27/87/478562787.db2.gz GNZPMOHXJWROFR-GFCCVEGCSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NC[C@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000594856498 478563527 /nfs/dbraw/zinc/56/35/27/478563527.db2.gz GNZPMOHXJWROFR-LBPRGKRZSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594857062 478563564 /nfs/dbraw/zinc/56/35/64/478563564.db2.gz NQDWUTDZSCBAQY-CYBMUJFWSA-N 0 0 344.408 2.972 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](CCF)C2)c1 ZINC000594859259 478564132 /nfs/dbraw/zinc/56/41/32/478564132.db2.gz YJEGNRGDORGECS-ZDUSSCGKSA-N 0 0 344.408 2.972 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H](CCF)C2)cc1 ZINC000594859325 478564453 /nfs/dbraw/zinc/56/44/53/478564453.db2.gz ZLJPIENLHSRVGR-CQSZACIVSA-N 0 0 344.408 2.539 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(Oc2ccncc2)C1 ZINC000591529170 478574357 /nfs/dbraw/zinc/57/43/57/478574357.db2.gz AHUBYHKCDSLMNK-UHFFFAOYSA-N 0 0 327.340 2.510 10 5 EFBERN CO[C@H](COc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594893175 478575256 /nfs/dbraw/zinc/57/52/56/478575256.db2.gz ROPPYCSSJPFXAO-BXKDBHETSA-N 0 0 346.177 2.788 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cccc(C(C)(C)C)c2)c1 ZINC000594892052 478575290 /nfs/dbraw/zinc/57/52/90/478575290.db2.gz VVEGHFRASGVKJG-UHFFFAOYSA-N 0 0 344.367 2.889 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C1CCC1 ZINC000597920976 478575450 /nfs/dbraw/zinc/57/54/50/478575450.db2.gz UVGZKKFOLJHDAP-AWEZNQCLSA-N 0 0 338.429 2.988 10 5 EFBERN CO[C@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000594892294 478575909 /nfs/dbraw/zinc/57/59/09/478575909.db2.gz SHAYRLRLVJCHPQ-GFCCVEGCSA-N 0 0 345.193 2.724 10 5 EFBERN O=C(N[C@@H](CO)C1CCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597920699 478576158 /nfs/dbraw/zinc/57/61/58/478576158.db2.gz ICUPTBGAXYEZAD-ZDUSSCGKSA-N 0 0 347.396 2.609 10 5 EFBERN C[C@@]1(C2CC2)CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000597920838 478576574 /nfs/dbraw/zinc/57/65/74/478576574.db2.gz CQKIMIVGOYXWMY-SFHVURJKSA-N 0 0 343.383 2.646 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](O)CC12CCC2 ZINC000591539873 478576698 /nfs/dbraw/zinc/57/66/98/478576698.db2.gz QXKPRKQHEPMQQS-LLVKDONJSA-N 0 0 329.356 2.596 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H](O)CC12CCC2 ZINC000591539875 478576932 /nfs/dbraw/zinc/57/69/32/478576932.db2.gz QXKPRKQHEPMQQS-NSHDSACASA-N 0 0 329.356 2.596 10 5 EFBERN C[C@@]1(C2CC2)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000597923928 478577680 /nfs/dbraw/zinc/57/76/80/478577680.db2.gz MSOQIYFLOMJESE-SFHVURJKSA-N 0 0 345.399 2.810 10 5 EFBERN CC(C)(C(=O)N1CCO[C@@](C)(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000597926860 478580936 /nfs/dbraw/zinc/58/09/36/478580936.db2.gz ZZKUQLDFDNTOOM-GOSISDBHSA-N 0 0 332.400 2.900 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)c2cscn2)c1 ZINC000582371178 478582470 /nfs/dbraw/zinc/58/24/70/478582470.db2.gz PRVITRPULNIZPG-JTQLQIEISA-N 0 0 341.414 2.708 10 5 EFBERN C[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ncnn21 ZINC000597937425 478586597 /nfs/dbraw/zinc/58/65/97/478586597.db2.gz SBKJFRJZBIUAES-GXFFZTMASA-N 0 0 343.387 2.920 10 5 EFBERN CCC(C)(C)[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000597952059 478593725 /nfs/dbraw/zinc/59/37/25/478593725.db2.gz OTKKYBIXIINERF-SNVBAGLBSA-N 0 0 342.417 2.553 10 5 EFBERN C[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000541847492 478595402 /nfs/dbraw/zinc/59/54/02/478595402.db2.gz LKZCVGJXSVFUER-SUMWQHHRSA-N 0 0 348.424 2.707 10 5 EFBERN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000597977080 478603475 /nfs/dbraw/zinc/60/34/75/478603475.db2.gz FSMZRYWISLZWCF-GFCCVEGCSA-N 0 0 347.293 2.610 10 5 EFBERN Cc1nn(CCC(=O)NCC2C[C@@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000597977821 478603656 /nfs/dbraw/zinc/60/36/56/478603656.db2.gz CPZKASYYCGCBIX-RYUDHWBXSA-N 0 0 336.436 2.987 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCOCC12CCCCC2 ZINC000582470640 478603738 /nfs/dbraw/zinc/60/37/38/478603738.db2.gz DZZZYMPZHOCDII-UHFFFAOYSA-N 0 0 344.371 2.646 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000601000659 478606668 /nfs/dbraw/zinc/60/66/68/478606668.db2.gz WDLRFOGXVXXOAP-NNQSOWQGSA-N 0 0 330.384 2.997 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(C2CCC2)CC1 ZINC000597994845 478610066 /nfs/dbraw/zinc/61/00/66/478610066.db2.gz MLFZNOARXXVFDF-UHFFFAOYSA-N 0 0 332.356 2.976 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H](O)C(F)(F)C1 ZINC000597997862 478611198 /nfs/dbraw/zinc/61/11/98/478611198.db2.gz CXTBJMQISQZZBR-GFCCVEGCSA-N 0 0 342.323 2.652 10 5 EFBERN COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CCCCC1 ZINC000598004713 478614271 /nfs/dbraw/zinc/61/42/71/478614271.db2.gz HEOIBAOCRHOREZ-UHFFFAOYSA-N 0 0 334.372 2.851 10 5 EFBERN COC(=O)CN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000598005872 478614628 /nfs/dbraw/zinc/61/46/28/478614628.db2.gz HKPVZFVMGOSOJT-UHFFFAOYSA-N 0 0 334.372 2.851 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1CNCc1nccc(OC)c1F ZINC000594978308 478615422 /nfs/dbraw/zinc/61/54/22/478615422.db2.gz SAFMIDZAFUVNCY-UHFFFAOYSA-N 0 0 335.335 2.826 10 5 EFBERN COC(=O)CN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000598008404 478615445 /nfs/dbraw/zinc/61/54/45/478615445.db2.gz NSSVLXIOJOLGDZ-UHFFFAOYSA-N 0 0 334.372 2.851 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)c2cscn2)c([N+](=O)[O-])cc1OC ZINC000598014790 478616260 /nfs/dbraw/zinc/61/62/60/478616260.db2.gz NJCOSUPMONOWCZ-QMMMGPOBSA-N 0 0 337.357 2.560 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000598038248 478624884 /nfs/dbraw/zinc/62/48/84/478624884.db2.gz BGOKPBLSQVBNFB-AWEZNQCLSA-N 0 0 330.344 2.679 10 5 EFBERN COC(=O)c1ccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000542041703 478625518 /nfs/dbraw/zinc/62/55/18/478625518.db2.gz NZVBETQVUSZJBP-UHFFFAOYSA-N 0 0 344.323 2.780 10 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/nfs/dbraw/zinc/63/83/16/478638316.db2.gz JDOCKWCAOKQVOF-MGCOHNPYSA-N 0 0 332.278 2.911 10 5 EFBERN CN(C[C@@H]1CC=CCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000542268907 478639448 /nfs/dbraw/zinc/63/94/48/478639448.db2.gz WDTSKZVHJGISBH-CQSZACIVSA-N 0 0 333.388 2.971 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000598060653 478639565 /nfs/dbraw/zinc/63/95/65/478639565.db2.gz VDERMCLKMQYKOL-MGCOHNPYSA-N 0 0 332.278 2.911 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000598062166 478639803 /nfs/dbraw/zinc/63/98/03/478639803.db2.gz MCNCKWXNBNJCAZ-UHFFFAOYSA-N 0 0 343.383 2.965 10 5 EFBERN Cn1ccnc1[C@H](N[C@@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595047926 478640430 /nfs/dbraw/zinc/64/04/30/478640430.db2.gz ICVPOGZRVLQPIM-DZGCQCFKSA-N 0 0 330.388 2.575 10 5 EFBERN CC[C@@H]1CN(c2c(OC)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000563821376 478641490 /nfs/dbraw/zinc/64/14/90/478641490.db2.gz UIVIJRKXUNAEGR-LLVKDONJSA-N 0 0 329.347 2.769 10 5 EFBERN COC1CC(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595050592 478642119 /nfs/dbraw/zinc/64/21/19/478642119.db2.gz SKBGBBWTQGWGOK-IMRCBTMISA-N 0 0 344.415 2.822 10 5 EFBERN C[C@@]12COC[C@]1(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598068460 478643242 /nfs/dbraw/zinc/64/32/42/478643242.db2.gz YGLMIURJZXJUDS-IYBDPMFKSA-N 0 0 338.791 2.676 10 5 EFBERN C[C@@]12COC[C@]1(C)CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000598068512 478643313 /nfs/dbraw/zinc/64/33/13/478643313.db2.gz ZGZPJVIPIGEGRQ-HDICACEKSA-N 0 0 341.367 2.642 10 5 EFBERN CC(C)(C(=O)N1C[C@]2(C)COC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598067039 478643735 /nfs/dbraw/zinc/64/37/35/478643735.db2.gz JYCMLJVGBNKYCK-HDICACEKSA-N 0 0 332.400 2.757 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(F)(F)C1 ZINC000582639710 478646423 /nfs/dbraw/zinc/64/64/23/478646423.db2.gz VHWWDBXWEIDTGB-UHFFFAOYSA-N 0 0 338.314 2.669 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000491720948 478647661 /nfs/dbraw/zinc/64/76/61/478647661.db2.gz PORLUMAZIXYOGK-JTQLQIEISA-N 0 0 341.314 2.536 10 5 EFBERN CCOc1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595074017 478651457 /nfs/dbraw/zinc/65/14/57/478651457.db2.gz SNFXEELNEDDSJS-MDZLAQPJSA-N 0 0 331.376 2.942 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCc2ccccc2C1 ZINC000601099130 478654493 /nfs/dbraw/zinc/65/44/93/478654493.db2.gz UTNBIAQKPNTPPU-UHFFFAOYSA-N 0 0 326.278 2.910 10 5 EFBERN CN(CCOc1ccccc1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601100308 478655516 /nfs/dbraw/zinc/65/55/16/478655516.db2.gz PWGSQBAHWOHPPB-UHFFFAOYSA-N 0 0 344.293 2.862 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000598099793 478657833 /nfs/dbraw/zinc/65/78/33/478657833.db2.gz FIHIJCPKTKBAGZ-SWLSCSKDSA-N 0 0 326.352 2.818 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000598101895 478659466 /nfs/dbraw/zinc/65/94/66/478659466.db2.gz UAUAIRHZVHHKBY-YVEFUNNKSA-N 0 0 326.352 2.818 10 5 EFBERN COc1ccc(CNc2nccn3nc(C4CC4)cc23)cc1[N+](=O)[O-] ZINC000601105767 478660172 /nfs/dbraw/zinc/66/01/72/478660172.db2.gz HJYJHXQUPAVYDL-UHFFFAOYSA-N 0 0 339.355 2.558 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1(O)CCCCCC1 ZINC000601119351 478667049 /nfs/dbraw/zinc/66/70/49/478667049.db2.gz XTTSPWXPCOJUDN-UHFFFAOYSA-N 0 0 336.314 2.844 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601121634 478668892 /nfs/dbraw/zinc/66/88/92/478668892.db2.gz OVYHRTBWISKYRD-LLVKDONJSA-N 0 0 339.399 2.958 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000601129077 478674180 /nfs/dbraw/zinc/67/41/80/478674180.db2.gz MOJWQRMBISWWAB-SNVBAGLBSA-N 0 0 337.742 2.868 10 5 EFBERN CC(C)CO[C@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601129190 478674275 /nfs/dbraw/zinc/67/42/75/478674275.db2.gz CUTKGMRUQWYWED-VIFPVBQESA-N 0 0 336.314 2.598 10 5 EFBERN CCC[C@@H](C)[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000563959469 478674358 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HHVIIMITFZMPFZ-UHFFFAOYSA-N 0 0 340.181 2.531 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1F)CC1CC1 ZINC000598252567 478727883 /nfs/dbraw/zinc/72/78/83/478727883.db2.gz WATKWQDFLYCLPS-UHFFFAOYSA-N 0 0 346.362 2.759 10 5 EFBERN CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])nc2)CCOCC1 ZINC000591971816 478728514 /nfs/dbraw/zinc/72/85/14/478728514.db2.gz UCOHJBCQWOISQV-UHFFFAOYSA-N 0 0 337.376 2.540 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3cccnc3)C2)n1 ZINC000601217116 478728678 /nfs/dbraw/zinc/72/86/78/478728678.db2.gz WVQUIRWKSIYGIP-CYBMUJFWSA-N 0 0 342.355 2.555 10 5 EFBERN CCn1cccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1=O ZINC000582962959 478729141 /nfs/dbraw/zinc/72/91/41/478729141.db2.gz YYJLKWPRFCJFBT-UHFFFAOYSA-N 0 0 328.372 2.662 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000591972500 478730298 /nfs/dbraw/zinc/73/02/98/478730298.db2.gz QKXQBSFPAORMGV-ZDUSSCGKSA-N 0 0 349.387 2.869 10 5 EFBERN CC1(C)[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@H]2CCO[C@H]21 ZINC000601221544 478731592 /nfs/dbraw/zinc/73/15/92/478731592.db2.gz OCSHMZSIGLSFQK-BZUAXINKSA-N 0 0 344.411 2.946 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc(NCC[C@H](O)C(F)F)n2)cc1 ZINC000601222484 478731681 /nfs/dbraw/zinc/73/16/81/478731681.db2.gz MABITDCFDBHQIK-NSHDSACASA-N 0 0 329.328 2.568 10 5 EFBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@H](C)O1 ZINC000601223670 478731978 /nfs/dbraw/zinc/73/19/78/478731978.db2.gz KMLBHVDXLKGPQQ-MDZLAQPJSA-N 0 0 339.367 2.548 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(CCO)(CCO)CC1 ZINC000601225631 478733163 /nfs/dbraw/zinc/73/31/63/478733163.db2.gz HPAFCOCAHJINKB-UHFFFAOYSA-N 0 0 328.796 2.600 10 5 EFBERN C[C@@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601226495 478734500 /nfs/dbraw/zinc/73/45/00/478734500.db2.gz SWOKOZPRDKIOEA-SUNKGSAMSA-N 0 0 344.371 2.537 10 5 EFBERN CC(C)(CNc1nccc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCOC1 ZINC000591988561 478734932 /nfs/dbraw/zinc/73/49/32/478734932.db2.gz UPXOGFBTBQJXMR-QGZVFWFLSA-N 0 0 331.372 2.733 10 5 EFBERN COC(=O)c1cccc2c1CN(c1cc(C)c([N+](=O)[O-])cn1)CC2 ZINC000591988760 478735030 /nfs/dbraw/zinc/73/50/30/478735030.db2.gz JYNQSKVCNGEFFD-UHFFFAOYSA-N 0 0 327.340 2.648 10 5 EFBERN C[C@@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601226493 478735116 /nfs/dbraw/zinc/73/51/16/478735116.db2.gz SWOKOZPRDKIOEA-GYSYKLTISA-N 0 0 344.371 2.537 10 5 EFBERN COC(=O)C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000598268234 478735243 /nfs/dbraw/zinc/73/52/43/478735243.db2.gz XYEWMYCRPZWKEZ-GFCCVEGCSA-N 0 0 346.339 2.660 10 5 EFBERN CC(C)(CNc1ccc([N+](=O)[O-])c2cnccc12)[C@@]1(O)CCOC1 ZINC000591987474 478735367 /nfs/dbraw/zinc/73/53/67/478735367.db2.gz KLZFJAOARQOPKV-QGZVFWFLSA-N 0 0 331.372 2.733 10 5 EFBERN CCc1nnc([C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000595330335 478735395 /nfs/dbraw/zinc/73/53/95/478735395.db2.gz JKOOCJVJYDWDQW-LBPRGKRZSA-N 0 0 345.403 2.880 10 5 EFBERN CC(C)(CNc1ccc2ncccc2c1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000591987758 478735594 /nfs/dbraw/zinc/73/55/94/478735594.db2.gz LFCJULKRUDUDBM-QGZVFWFLSA-N 0 0 331.372 2.733 10 5 EFBERN COC(=O)c1cccc2c1CN(c1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000591989526 478736117 /nfs/dbraw/zinc/73/61/17/478736117.db2.gz VOJKWJHJQQBAKR-UHFFFAOYSA-N 0 0 342.351 2.953 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])[C@@H]1SC ZINC000591990379 478737207 /nfs/dbraw/zinc/73/72/07/478737207.db2.gz IDGDZZBFISLWLD-XPKDYRNWSA-N 0 0 333.413 2.886 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1SC ZINC000591991869 478737949 /nfs/dbraw/zinc/73/79/49/478737949.db2.gz ZYMMVHZALROKEU-MCIONIFRSA-N 0 0 334.401 2.859 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000598272038 478737998 /nfs/dbraw/zinc/73/79/98/478737998.db2.gz HMTSAURCYOSDEZ-AWEZNQCLSA-N 0 0 348.399 2.839 10 5 EFBERN Cn1c2cc(NCC3CCC(F)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000591994947 478738166 /nfs/dbraw/zinc/73/81/66/478738166.db2.gz SKCSEQKISBBPSL-UHFFFAOYSA-N 0 0 336.367 2.725 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000564418478 478738859 /nfs/dbraw/zinc/73/88/59/478738859.db2.gz ILFSGLHZIILVKX-QGZVFWFLSA-N 0 0 336.391 2.836 10 5 EFBERN O=[N+]([O-])c1ccc2ccnc(N3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2c1 ZINC000601234373 478739286 /nfs/dbraw/zinc/73/92/86/478739286.db2.gz CEQTXUPCSVCWIA-GXFFZTMASA-N 0 0 341.289 2.750 10 5 EFBERN C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC2(CCCC2)O1 ZINC000591997924 478739210 /nfs/dbraw/zinc/73/92/10/478739210.db2.gz FSHUHMUNUJPWII-NSHDSACASA-N 0 0 344.371 2.782 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2ncccc12 ZINC000601237697 478740099 /nfs/dbraw/zinc/74/00/99/478740099.db2.gz KLWSXTOJYOFECQ-GXSJLCMTSA-N 0 0 341.289 2.750 10 5 EFBERN COC(=O)[C@@H]1C[C@H]1c1ccc(Nc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000601235082 478740507 /nfs/dbraw/zinc/74/05/07/478740507.db2.gz MUSGMYVVSDKGFY-QWHCGFSZSA-N 0 0 330.344 2.657 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000595350766 478742070 /nfs/dbraw/zinc/74/20/70/478742070.db2.gz IAILOYNCKOYOSZ-LLVKDONJSA-N 0 0 348.371 2.781 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)S1 ZINC000572069152 478742145 /nfs/dbraw/zinc/74/21/45/478742145.db2.gz LCICAYCQLAZZNH-DTORHVGOSA-N 0 0 330.356 2.768 10 5 EFBERN COC(=O)CCn1nc(C)c(Nc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000601239487 478742202 /nfs/dbraw/zinc/74/22/02/478742202.db2.gz LTSKSZRGIPZGIR-UHFFFAOYSA-N 0 0 336.323 2.854 10 5 EFBERN Cc1sc(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000595351729 478742308 /nfs/dbraw/zinc/74/23/08/478742308.db2.gz LMDNZHWGRWQJLE-MRVPVSSYSA-N 0 0 340.373 2.534 10 5 EFBERN CCOC(=O)[C@]1(CNc2ccc(F)cc2[N+](=O)[O-])CCCOC1 ZINC000601244181 478743857 /nfs/dbraw/zinc/74/38/57/478743857.db2.gz LQZVSXRYZHHCNE-HNNXBMFYSA-N 0 0 326.324 2.506 10 5 EFBERN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595358615 478745834 /nfs/dbraw/zinc/74/58/34/478745834.db2.gz GCVQYUKFBCPUER-VOMCLLRMSA-N 0 0 330.381 2.790 10 5 EFBERN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(F)F ZINC000592019517 478746580 /nfs/dbraw/zinc/74/65/80/478746580.db2.gz SLCUELXLGSLNNY-MRVPVSSYSA-N 0 0 341.318 2.562 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601251206 478747599 /nfs/dbraw/zinc/74/75/99/478747599.db2.gz SSDSRZSURXQKSE-HOTGVXAUSA-N 0 0 333.388 2.714 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598294759 478749034 /nfs/dbraw/zinc/74/90/34/478749034.db2.gz ILMQCSWZFIBWQV-RYUDHWBXSA-N 0 0 344.289 2.647 10 5 EFBERN CC(C)OC(=O)[C@H](C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601256642 478749930 /nfs/dbraw/zinc/74/99/30/478749930.db2.gz VNBCTQJHNFNKEN-CYBMUJFWSA-N 0 0 348.399 2.720 10 5 EFBERN CCC(CC)CCCN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595366385 478750050 /nfs/dbraw/zinc/75/00/50/478750050.db2.gz TUEGQHDHWDJXNN-UHFFFAOYSA-N 0 0 329.422 2.827 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cncc(C)n1 ZINC000598305069 478756760 /nfs/dbraw/zinc/75/67/60/478756760.db2.gz BBUFXYKHJJYDDU-OAHLLOKOSA-N 0 0 342.399 2.621 10 5 EFBERN Cc1cncc(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000598306737 478757050 /nfs/dbraw/zinc/75/70/50/478757050.db2.gz XOCZYPRXFJSQBN-UHFFFAOYSA-N 0 0 342.399 2.963 10 5 EFBERN CCOC[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601274803 478759690 /nfs/dbraw/zinc/75/96/90/478759690.db2.gz XCMIVOWGYUQPRQ-CQSZACIVSA-N 0 0 332.400 2.902 10 5 EFBERN CCc1ccc(S(=O)(=O)NC[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592067118 478762598 /nfs/dbraw/zinc/76/25/98/478762598.db2.gz MWIILZXXVTVOGN-VIFPVBQESA-N 0 0 336.360 2.727 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c(C3CCC3)cnn2C)c1 ZINC000598315429 478763071 /nfs/dbraw/zinc/76/30/71/478763071.db2.gz CNWCNPZJUMMCKH-UHFFFAOYSA-N 0 0 328.372 2.834 10 5 EFBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000592072303 478764003 /nfs/dbraw/zinc/76/40/03/478764003.db2.gz TZEBXTUXTBGTIZ-CQSZACIVSA-N 0 0 339.417 2.627 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000592069981 478764088 /nfs/dbraw/zinc/76/40/88/478764088.db2.gz CXILRBSAFFOMLP-VXGBXAGGSA-N 0 0 338.410 2.738 10 5 EFBERN CC1(C)C[C@@]1(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595407421 478764933 /nfs/dbraw/zinc/76/49/33/478764933.db2.gz AMSLAZGMDPFPPX-MRXNPFEDSA-N 0 0 347.396 2.594 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592087669 478769542 /nfs/dbraw/zinc/76/95/42/478769542.db2.gz QUILKXSRUKHRHQ-TXEJJXNPSA-N 0 0 342.417 2.528 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCc3sccc3C2)c([N+](=O)[O-])s1 ZINC000601298759 478773098 /nfs/dbraw/zinc/77/30/98/478773098.db2.gz KOXLCWCNZGWUCW-UHFFFAOYSA-N 0 0 344.439 2.773 10 5 EFBERN COc1cc(C(=O)NC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1F ZINC000598338225 478773244 /nfs/dbraw/zinc/77/32/44/478773244.db2.gz WHFQXKWUQMUCSG-LLVKDONJSA-N 0 0 332.278 2.764 10 5 EFBERN COc1cc(C(=O)NC[C@@H]2C(C)(C)C2(F)F)cc([N+](=O)[O-])c1C ZINC000598341546 478774728 /nfs/dbraw/zinc/77/47/28/478774728.db2.gz WZZNLPWDFWQTAS-GFCCVEGCSA-N 0 0 328.315 2.933 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCC(O)CC1 ZINC000598340676 478774874 /nfs/dbraw/zinc/77/48/74/478774874.db2.gz PFCJILGGXZDCTQ-UHFFFAOYSA-N 0 0 338.429 2.988 10 5 EFBERN COc1cc(C(=O)NC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OC ZINC000598339976 478775316 /nfs/dbraw/zinc/77/53/16/478775316.db2.gz FMELNEOXSCEJOT-GFCCVEGCSA-N 0 0 344.314 2.633 10 5 EFBERN CC1(C)[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1(F)F ZINC000598341178 478775431 /nfs/dbraw/zinc/77/54/31/478775431.db2.gz OUNDEXJUTKFRKR-GFCCVEGCSA-N 0 0 328.315 2.771 10 5 EFBERN O=C(NCC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598340151 478775570 /nfs/dbraw/zinc/77/55/70/478775570.db2.gz JATJCMYOXCNELI-UHFFFAOYSA-N 0 0 346.305 2.895 10 5 EFBERN COC[C@H](C)[C@@H](C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564649940 478776903 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C)CC(F)F ZINC000592296095 478856219 /nfs/dbraw/zinc/85/62/19/478856219.db2.gz APBGOKWQEPSEKW-MRVPVSSYSA-N 0 0 343.330 2.558 10 5 EFBERN Cc1cc(C(=O)NCC(=O)NC2CC(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000504885379 478857369 /nfs/dbraw/zinc/85/73/69/478857369.db2.gz LXSTZVGBFBSUIB-UHFFFAOYSA-N 0 0 347.415 2.574 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000592319454 478859932 /nfs/dbraw/zinc/85/99/32/478859932.db2.gz YCYBNONBBHIGGA-HNNXBMFYSA-N 0 0 331.372 2.715 10 5 EFBERN CC(C)(C)OC(=O)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000598496493 478860157 /nfs/dbraw/zinc/86/01/57/478860157.db2.gz LULFHMKSBBYGPD-UHFFFAOYSA-N 0 0 348.399 2.766 10 5 EFBERN CO[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1C ZINC000601513886 478861021 /nfs/dbraw/zinc/86/10/21/478861021.db2.gz HFDUJJKIDSEZOH-CZUORRHYSA-N 0 0 332.400 2.900 10 5 EFBERN CC(C)(C)OC(=O)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000598498459 478861391 /nfs/dbraw/zinc/86/13/91/478861391.db2.gz GZDOYSAKHULPRH-UHFFFAOYSA-N 0 0 348.399 2.766 10 5 EFBERN CC(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000505337510 478863620 /nfs/dbraw/zinc/86/36/20/478863620.db2.gz JGPXVWHGENDAKG-KRWDZBQOSA-N 0 0 349.431 2.787 10 5 EFBERN Cc1c(Br)c(=O)n(CCC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000592348726 478864109 /nfs/dbraw/zinc/86/41/09/478864109.db2.gz XKGZXXCUNGCUIE-SNVBAGLBSA-N 0 0 345.193 2.644 10 5 EFBERN Cc1c(CNC(=O)c2cn3c(n2)C[C@@H](C)CC3)cccc1[N+](=O)[O-] ZINC000601526594 478864222 /nfs/dbraw/zinc/86/42/22/478864222.db2.gz YLQSRQOQOYAGDO-NSHDSACASA-N 0 0 328.372 2.612 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595576322 478864951 /nfs/dbraw/zinc/86/49/51/478864951.db2.gz ZEBSVEKOBLFNKY-HNNXBMFYSA-N 0 0 335.404 2.642 10 5 EFBERN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000598505337 478867349 /nfs/dbraw/zinc/86/73/49/478867349.db2.gz BDKBGFQVBNWMPA-APPZFPTMSA-N 0 0 338.307 2.838 10 5 EFBERN CC(C)(C)c1cnc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)o1 ZINC000592360499 478867257 /nfs/dbraw/zinc/86/72/57/478867257.db2.gz VWEQYBUOMHUYSJ-UHFFFAOYSA-N 0 0 331.372 2.969 10 5 EFBERN Cc1nnc(CN(C)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000595581400 478867586 /nfs/dbraw/zinc/86/75/86/478867586.db2.gz LYKCMNMSZGLZHP-SECBINFHSA-N 0 0 335.389 2.657 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598509691 478870193 /nfs/dbraw/zinc/87/01/93/478870193.db2.gz JCPWFLWVGQLABD-NSHDSACASA-N 0 0 332.278 2.697 10 5 EFBERN C[C@]1(C2CCCCC2)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601540013 478871178 /nfs/dbraw/zinc/87/11/78/478871178.db2.gz NNGFITQRGFCJLF-OAHLLOKOSA-N 0 0 339.417 2.723 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000598511468 478873289 /nfs/dbraw/zinc/87/32/89/478873289.db2.gz OZRQIQCXFVZSCV-SNVBAGLBSA-N 0 0 332.278 2.697 10 5 EFBERN CN(CC1=CCSC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598515472 478875779 /nfs/dbraw/zinc/87/57/79/478875779.db2.gz JHORHVLWPOWPQZ-UHFFFAOYSA-N 0 0 344.339 2.941 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000592387457 478879988 /nfs/dbraw/zinc/87/99/88/478879988.db2.gz FVJRJEKIUNVDNL-GFCCVEGCSA-N 0 0 330.388 2.987 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000598540052 478886799 /nfs/dbraw/zinc/88/67/99/478886799.db2.gz LWWXGYOBNSKGBR-SJCJKPOMSA-N 0 0 344.367 2.845 10 5 EFBERN Cc1ccc(-c2noc(-c3cn(C4CCC4)nn3)n2)cc1[N+](=O)[O-] ZINC000592406758 478886697 /nfs/dbraw/zinc/88/66/97/478886697.db2.gz KYHGLJZWZRRQKY-UHFFFAOYSA-N 0 0 326.316 2.937 10 5 EFBERN Cc1c(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000598542003 478888082 /nfs/dbraw/zinc/88/80/82/478888082.db2.gz PYVKVGTTYZFANT-HDICACEKSA-N 0 0 330.384 2.936 10 5 EFBERN CNc1c(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000598547048 478888773 /nfs/dbraw/zinc/88/87/73/478888773.db2.gz WLBBALYZPVLZND-HDICACEKSA-N 0 0 345.399 2.669 10 5 EFBERN Cc1nnc(N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000601587841 478893588 /nfs/dbraw/zinc/89/35/88/478893588.db2.gz RQVJSWHBYSRGPU-UHFFFAOYSA-N 0 0 332.385 2.839 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601590581 478895273 /nfs/dbraw/zinc/89/52/73/478895273.db2.gz GVXFXFFYEXFFES-BREBYQMCSA-N 0 0 341.795 2.656 10 5 EFBERN O=C(NCCO[C@H]1CCCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601591950 478895353 /nfs/dbraw/zinc/89/53/53/478895353.db2.gz NNKZOPQRNZLJRE-INIZCTEOSA-N 0 0 348.399 2.676 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc([N+](=O)[O-])c1 ZINC000598563807 478896132 /nfs/dbraw/zinc/89/61/32/478896132.db2.gz JDVMQCOKLBQCSM-BONVTDFDSA-N 0 0 328.315 2.788 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@](C)(C(F)F)O1 ZINC000598564586 478898372 /nfs/dbraw/zinc/89/83/72/478898372.db2.gz MYZGMFSJENYFGY-RMLUDKJBSA-N 0 0 332.278 2.619 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598566142 478899549 /nfs/dbraw/zinc/89/95/49/478899549.db2.gz VJBMYXGJXSCNNL-CLAHSXSESA-N 0 0 332.278 2.619 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598571098 478901642 /nfs/dbraw/zinc/90/16/42/478901642.db2.gz ZPQSGVHMXCYUDG-CQSZACIVSA-N 0 0 346.355 2.570 10 5 EFBERN Cc1ccc(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598571742 478901895 /nfs/dbraw/zinc/90/18/95/478901895.db2.gz MIGMLEKCPDCLTN-BONVTDFDSA-N 0 0 328.315 2.788 10 5 EFBERN CCc1ccc(C(=O)N2CCO[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598570207 478902386 /nfs/dbraw/zinc/90/23/86/478902386.db2.gz CRXPQQOLGSFPRX-HNNXBMFYSA-N 0 0 328.315 2.653 10 5 EFBERN CCc1ccc(C(=O)N2CCO[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598570208 478902833 /nfs/dbraw/zinc/90/28/33/478902833.db2.gz CRXPQQOLGSFPRX-OAHLLOKOSA-N 0 0 328.315 2.653 10 5 EFBERN CC12CC(C1)CN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598570754 478902847 /nfs/dbraw/zinc/90/28/47/478902847.db2.gz JMZNWKJHHAWTAT-UHFFFAOYSA-N 0 0 325.162 2.982 10 5 EFBERN CC12CC(C1)CN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598572557 478903693 /nfs/dbraw/zinc/90/36/93/478903693.db2.gz XDLZZTMTQJPFOJ-UHFFFAOYSA-N 0 0 325.162 2.982 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000598574366 478904542 /nfs/dbraw/zinc/90/45/42/478904542.db2.gz UGAIKNKEXUDVFF-CYBMUJFWSA-N 0 0 334.706 2.744 10 5 EFBERN COc1cc(Cn2nc(C)cc(C(F)(F)F)c2=O)ccc1[N+](=O)[O-] ZINC000572720988 478904607 /nfs/dbraw/zinc/90/46/07/478904607.db2.gz KRGAODXZGGTTNQ-UHFFFAOYSA-N 0 0 343.261 2.536 10 5 EFBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H]1C(F)F ZINC000601607318 478905130 /nfs/dbraw/zinc/90/51/30/478905130.db2.gz OJUUKKHOYMBWNZ-CQSZACIVSA-N 0 0 339.342 2.677 10 5 EFBERN C[C@H](C(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598574333 478905126 /nfs/dbraw/zinc/90/51/26/478905126.db2.gz SQBOEFDWNYBEGX-VFZGTOFNSA-N 0 0 346.305 2.720 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)n1 ZINC000598576253 478906501 /nfs/dbraw/zinc/90/65/01/478906501.db2.gz KAVTYGNPEAJMHU-LLVKDONJSA-N 0 0 344.371 2.627 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000601609790 478906650 /nfs/dbraw/zinc/90/66/50/478906650.db2.gz HNZXYFJQTMIRAM-LNSITVRQSA-N 0 0 336.363 2.890 10 5 EFBERN CC1(C)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H]2COC[C@@H]21 ZINC000601623884 478912889 /nfs/dbraw/zinc/91/28/89/478912889.db2.gz YSCRLLXEIYBOPN-JKSUJKDBSA-N 0 0 344.411 2.900 10 5 EFBERN CC[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H](O)C(C)C ZINC000601624980 478914199 /nfs/dbraw/zinc/91/41/99/478914199.db2.gz FUJHCINVYUFFLG-JKSUJKDBSA-N 0 0 334.416 2.928 10 5 EFBERN CC[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H](O)C(C)C ZINC000601624977 478914583 /nfs/dbraw/zinc/91/45/83/478914583.db2.gz FUJHCINVYUFFLG-HOTGVXAUSA-N 0 0 334.416 2.928 10 5 EFBERN CC[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H](O)C(C)C ZINC000601624978 478914597 /nfs/dbraw/zinc/91/45/97/478914597.db2.gz FUJHCINVYUFFLG-HZPDHXFCSA-N 0 0 334.416 2.928 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598599354 478919942 /nfs/dbraw/zinc/91/99/42/478919942.db2.gz MDBQUCRLTGEIFJ-OCCSQVGLSA-N 0 0 327.340 2.820 10 5 EFBERN CO[C@]1(CO)CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595658417 478921262 /nfs/dbraw/zinc/92/12/62/478921262.db2.gz IPSHKNLNDZRKPH-CQSZACIVSA-N 0 0 348.321 2.587 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H]2CCCO[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000598601911 478922267 /nfs/dbraw/zinc/92/22/67/478922267.db2.gz QIHBTMQIVUARIF-FZMZJTMJSA-N 0 0 337.376 2.640 10 5 EFBERN CCC1(CC)[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1OC ZINC000598609778 478924642 /nfs/dbraw/zinc/92/46/42/478924642.db2.gz VEAFSJPACRZVFF-RYUDHWBXSA-N 0 0 337.376 2.782 10 5 EFBERN Cc1ccc(S(=O)(=O)NCCCC(C)(F)F)c(C)c1[N+](=O)[O-] ZINC000598611793 478924841 /nfs/dbraw/zinc/92/48/41/478924841.db2.gz PKYDLYAFDPBNRL-UHFFFAOYSA-N 0 0 336.360 2.925 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](F)C2)c(C)c1[N+](=O)[O-] ZINC000598609477 478924854 /nfs/dbraw/zinc/92/48/54/478924854.db2.gz YGULKAGSRZMPKN-JOYOIKCWSA-N 0 0 330.381 2.580 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2C[C@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000598613428 478926304 /nfs/dbraw/zinc/92/63/04/478926304.db2.gz GTMMLSPPHPKULD-RYUDHWBXSA-N 0 0 337.376 2.780 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCCc3cccnc32)c(C)c1[N+](=O)[O-] ZINC000598613468 478927155 /nfs/dbraw/zinc/92/71/55/478927155.db2.gz HTSKSBXLPPRZIH-UHFFFAOYSA-N 0 0 347.396 2.748 10 5 EFBERN COC(=O)c1ccnc(Nc2cnn(CC(C)C)c2C)c1[N+](=O)[O-] ZINC000598618300 478927634 /nfs/dbraw/zinc/92/76/34/478927634.db2.gz WCHRNRZVZZQXIS-UHFFFAOYSA-N 0 0 333.348 2.681 10 5 EFBERN Cc1ccc(S(=O)(=O)NC[C@@]2(C)CC2(F)F)c(C)c1[N+](=O)[O-] ZINC000598616920 478929103 /nfs/dbraw/zinc/92/91/03/478929103.db2.gz GNCDSZCMKPQZRS-GFCCVEGCSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H]2CC2(F)F)c1C ZINC000598621669 478930508 /nfs/dbraw/zinc/93/05/08/478930508.db2.gz JQGKIVMMLPXNND-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN COC(=O)c1ccnc(N(C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000598621583 478930826 /nfs/dbraw/zinc/93/08/26/478930826.db2.gz VUUWJRPGLJHRME-UHFFFAOYSA-N 0 0 333.319 2.860 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598621643 478930850 /nfs/dbraw/zinc/93/08/50/478930850.db2.gz WSXLNICIXRBCRK-MRVPVSSYSA-N 0 0 333.266 2.555 10 5 EFBERN C[C@H](CO)C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601655842 478931513 /nfs/dbraw/zinc/93/15/13/478931513.db2.gz UEPRRGXNVHQRAD-CQSZACIVSA-N 0 0 346.427 2.884 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC3(CCC3)OC[C@H]2C)c1 ZINC000595680517 478931600 /nfs/dbraw/zinc/93/16/00/478931600.db2.gz IFKKPFWEQNOESG-GFCCVEGCSA-N 0 0 334.372 2.525 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@H]1CC1(F)F ZINC000598623061 478932081 /nfs/dbraw/zinc/93/20/81/478932081.db2.gz UKSOBDNYMBNTQM-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN CC[C@H]1CC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598628145 478933418 /nfs/dbraw/zinc/93/34/18/478933418.db2.gz NUWHMCFDNIUBFE-JOCQHMNTSA-N 0 0 335.408 2.602 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2Cc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000598633360 478934735 /nfs/dbraw/zinc/93/47/35/478934735.db2.gz LNUYIIZOHSMHGQ-IINYFYTJSA-N 0 0 327.340 2.917 10 5 EFBERN C[C@@H]1C(=O)N(C)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000592530367 478935673 /nfs/dbraw/zinc/93/56/73/478935673.db2.gz UZHMBPVDOSEGOG-LLVKDONJSA-N 0 0 331.397 2.943 10 5 EFBERN C[C@@]12COC[C@]1(C)CN(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595689580 478936847 /nfs/dbraw/zinc/93/68/47/478936847.db2.gz SIHORFONJSHAKH-CALCHBBNSA-N 0 0 344.371 2.503 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CS(=O)(=O)Cc3ccccc32)n1 ZINC000598637178 478937896 /nfs/dbraw/zinc/93/78/96/478937896.db2.gz KGKDLXOVKXXMQF-CQSZACIVSA-N 0 0 347.396 2.688 10 5 EFBERN Cc1c(Br)c(NCC[C@@H]2CC2(F)F)ncc1[N+](=O)[O-] ZINC000598639327 478939236 /nfs/dbraw/zinc/93/92/36/478939236.db2.gz ROGRRVYYKHLDNO-SSDOTTSWSA-N 0 0 336.136 2.940 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCn2nccc21 ZINC000601666261 478939867 /nfs/dbraw/zinc/93/98/67/478939867.db2.gz YDTFOEKLWULNAG-CQSZACIVSA-N 0 0 343.387 2.510 10 5 EFBERN COc1nc(C)cc(C)c1CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000598647286 478944948 /nfs/dbraw/zinc/94/49/48/478944948.db2.gz AMRDFZFTZLAQES-UHFFFAOYSA-N 0 0 331.372 2.953 10 5 EFBERN C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000601675965 478945688 /nfs/dbraw/zinc/94/56/88/478945688.db2.gz QWFCBARFJMINHE-RMLUDKJBSA-N 0 0 332.278 2.619 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1C[C@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595711576 478952024 /nfs/dbraw/zinc/95/20/24/478952024.db2.gz IXHAEIAJDHODNV-BPNCWPANSA-N 0 0 344.375 2.643 10 5 EFBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595711608 478952071 /nfs/dbraw/zinc/95/20/71/478952071.db2.gz AYHGCDUKWUHIOG-UTUOFQBUSA-N 0 0 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10 5 EFBERN CNc1ccc(C(=O)N2CCCC[C@H](CCOC)C2)cc1[N+](=O)[O-] ZINC000545954182 478982904 /nfs/dbraw/zinc/98/29/04/478982904.db2.gz YHEMLYVLVGWBMU-CYBMUJFWSA-N 0 0 335.404 2.915 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H](C)O[C@H]1C ZINC000601759227 478988927 /nfs/dbraw/zinc/98/89/27/478988927.db2.gz BDMSCJWLFKPLKS-KLBPJQLPSA-N 0 0 342.779 2.698 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601766449 478991413 /nfs/dbraw/zinc/99/14/13/478991413.db2.gz JTDYUQDYQNJHTP-MRTMQBJTSA-N 0 0 343.177 2.653 10 5 EFBERN C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)CC(F)F ZINC000592673297 478991429 /nfs/dbraw/zinc/99/14/29/478991429.db2.gz UHRNNYUUNKHGPR-JTQLQIEISA-N 0 0 338.314 2.802 10 5 EFBERN COCC1(C2CC2)CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000601768591 478991852 /nfs/dbraw/zinc/99/18/52/478991852.db2.gz QOFKKWBDMVTCSC-UHFFFAOYSA-N 0 0 336.413 2.815 10 5 EFBERN COCC1(C2CC2)CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000601771823 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2.884 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCCN1CC(F)F ZINC000599134506 479175064 /nfs/dbraw/zinc/17/50/64/479175064.db2.gz WKOPVMRPDLOIBZ-LLVKDONJSA-N 0 0 336.342 2.706 10 5 EFBERN COc1cccc(C(=O)N2CCC(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000584567887 479177595 /nfs/dbraw/zinc/17/75/95/479177595.db2.gz KLEVGXGMIUEUOR-UHFFFAOYSA-N 0 0 348.399 2.882 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000593106066 479177790 /nfs/dbraw/zinc/17/77/90/479177790.db2.gz WRKONODKHHIXJJ-UONOGXRCSA-N 0 0 336.363 2.552 10 5 EFBERN COC(=O)Cc1ccnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000596170031 479178186 /nfs/dbraw/zinc/17/81/86/479178186.db2.gz ONKBBQVVTOUSCM-UHFFFAOYSA-N 0 0 341.367 2.874 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000593106065 479178260 /nfs/dbraw/zinc/17/82/60/479178260.db2.gz WRKONODKHHIXJJ-KGLIPLIRSA-N 0 0 336.363 2.552 10 5 EFBERN CCc1cnc(N2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)s1 ZINC000610755255 479178457 /nfs/dbraw/zinc/17/84/57/479178457.db2.gz KAYYULPZKJWCHB-UHFFFAOYSA-N 0 0 333.417 2.644 10 5 EFBERN C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccncc1 ZINC000599143856 479179364 /nfs/dbraw/zinc/17/93/64/479179364.db2.gz HKBPCUOFRBAHQK-LLVKDONJSA-N 0 0 325.328 2.705 10 5 EFBERN COc1cc(NCCCNC(=O)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596174499 479179593 /nfs/dbraw/zinc/17/95/93/479179593.db2.gz CHQIWFBPSSMMER-UHFFFAOYSA-N 0 0 329.784 2.831 10 5 EFBERN CCOc1cccc(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000610760362 479179664 /nfs/dbraw/zinc/17/96/64/479179664.db2.gz CJRZSQVJNGDTGB-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000596176460 479181247 /nfs/dbraw/zinc/18/12/47/479181247.db2.gz GQASDUMDZVTYPJ-UHFFFAOYSA-N 0 0 340.763 2.794 10 5 EFBERN CCOc1cc(CN2CCO[C@@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000569807142 479182651 /nfs/dbraw/zinc/18/26/51/479182651.db2.gz AKZZLTXUWBZFIS-INIZCTEOSA-N 0 0 338.429 2.701 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(-c3ccn(C4CCOCC4)n3)n2)s1 ZINC000599152038 479182800 /nfs/dbraw/zinc/18/28/00/479182800.db2.gz DJCZISZIYVIEQT-UHFFFAOYSA-N 0 0 347.356 2.921 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593116868 479183118 /nfs/dbraw/zinc/18/31/18/479183118.db2.gz JKDNGBQWCVJCKB-QMTHXVAHSA-N 0 0 325.315 2.653 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593115278 479183161 /nfs/dbraw/zinc/18/31/61/479183161.db2.gz CDGRJEKZXLOFDC-AWEZNQCLSA-N 0 0 326.299 2.613 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596180039 479184538 /nfs/dbraw/zinc/18/45/38/479184538.db2.gz WSAPUXZSDLQIQH-VHSXEESVSA-N 0 0 341.795 2.564 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(C2CCOCC2)c1 ZINC000599160085 479187367 /nfs/dbraw/zinc/18/73/67/479187367.db2.gz DJYGFRZAUNDWKE-UHFFFAOYSA-N 0 0 342.355 2.726 10 5 EFBERN COc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596185081 479187616 /nfs/dbraw/zinc/18/76/16/479187616.db2.gz BGCCVHKFKGZJTA-VIFPVBQESA-N 0 0 339.779 2.680 10 5 EFBERN C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000596188606 479189407 /nfs/dbraw/zinc/18/94/07/479189407.db2.gz JDLNJHWRSAERHX-ZDUSSCGKSA-N 0 0 328.372 2.635 10 5 EFBERN Cc1ccc([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)cc1 ZINC000596193249 479189943 /nfs/dbraw/zinc/18/99/43/479189943.db2.gz LRGGTOHRAVWVRU-AWEZNQCLSA-N 0 0 325.368 2.996 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000599164805 479190003 /nfs/dbraw/zinc/19/00/03/479190003.db2.gz NUDTYDFKRWHZTI-SDCKUUTBSA-N 0 0 330.182 2.976 10 5 EFBERN CCC1(CC)CN(c2c(Cl)cncc2[N+](=O)[O-])CC[S@]1=O ZINC000596193150 479190704 /nfs/dbraw/zinc/19/07/04/479190704.db2.gz CITVKWYOASKLRY-OAQYLSRUSA-N 0 0 331.825 2.771 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CCO[C@@H](CCF)C1 ZINC000599167557 479191036 /nfs/dbraw/zinc/19/10/36/479191036.db2.gz IXMNFFQYCICAKR-JTQLQIEISA-N 0 0 333.157 2.922 10 5 EFBERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000599166659 479191197 /nfs/dbraw/zinc/19/11/97/479191197.db2.gz SLMXYBUAHJENML-RISCZKNCSA-N 0 0 340.351 2.813 10 5 EFBERN COC(=O)c1c(Cl)c(NCC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596193697 479191570 /nfs/dbraw/zinc/19/15/70/479191570.db2.gz MSBYMAJYLQVPRO-VIFPVBQESA-N 0 0 328.752 2.873 10 5 EFBERN CC(C)(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)N1CCCC1 ZINC000599169899 479192595 /nfs/dbraw/zinc/19/25/95/479192595.db2.gz JARSJWGBDQPQOH-UHFFFAOYSA-N 0 0 346.431 2.929 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000599167919 479193287 /nfs/dbraw/zinc/19/32/87/479193287.db2.gz VFNPUGWXIUEJID-XXAQJILISA-N 0 0 331.397 2.633 10 5 EFBERN COC(=O)/C(I)=C/c1ccccc1[N+](=O)[O-] ZINC000584611433 479193676 /nfs/dbraw/zinc/19/36/76/479193676.db2.gz GADUHCBDANMLLS-VURMDHGXSA-N 0 0 333.081 2.544 10 5 EFBERN C[C@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000599172562 479194302 /nfs/dbraw/zinc/19/43/02/479194302.db2.gz PNSMXETUOFHLDT-WOFXILAISA-N 0 0 330.431 2.908 10 5 EFBERN COc1cc(NCC(C)(C)C(=O)N2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000599171055 479194316 /nfs/dbraw/zinc/19/43/16/479194316.db2.gz XCPSKPRQUYGQPT-UHFFFAOYSA-N 0 0 339.367 2.803 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599174167 479195405 /nfs/dbraw/zinc/19/54/05/479195405.db2.gz LVCJKRFSROTGHI-IINYFYTJSA-N 0 0 341.205 2.956 10 5 EFBERN COc1cc(N2CCC(O)(C(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596201527 479195981 /nfs/dbraw/zinc/19/59/81/479195981.db2.gz ZUCIBKQOXSOCMZ-UHFFFAOYSA-N 0 0 336.722 2.853 10 5 EFBERN O=C(NC[C@]1(CO)CCc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000593132478 479196287 /nfs/dbraw/zinc/19/62/87/479196287.db2.gz SCGUELYNNMPTHP-SFHVURJKSA-N 0 0 341.367 2.593 10 5 EFBERN O=C(NCC[C@H]1CC=CCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599178458 479197331 /nfs/dbraw/zinc/19/73/31/479197331.db2.gz GOGMUGGQFUEBAU-AWEZNQCLSA-N 0 0 347.419 2.884 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC=C(C)C ZINC000596206005 479198242 /nfs/dbraw/zinc/19/82/42/479198242.db2.gz FMADARBOWQMJRH-UHFFFAOYSA-N 0 0 327.406 2.661 10 5 EFBERN O=[N+]([O-])c1cc(N2C[C@H](O)CC(F)(F)C2)ccc1C(F)(F)F ZINC000596205760 479198251 /nfs/dbraw/zinc/19/82/51/479198251.db2.gz LPVHYSWKAKBCNX-MRVPVSSYSA-N 0 0 326.221 2.820 10 5 EFBERN Cc1cc(N[C@H]2CO[C@@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599181909 479198428 /nfs/dbraw/zinc/19/84/28/479198428.db2.gz VCUVNZGVHYUEJW-GDBMZVCRSA-N 0 0 340.383 2.762 10 5 EFBERN COc1cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596208662 479199110 /nfs/dbraw/zinc/19/91/10/479199110.db2.gz USVUENLERQKBQC-DOJKMWFOSA-N 0 0 332.809 2.603 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599183378 479199727 /nfs/dbraw/zinc/19/97/27/479199727.db2.gz LIUCMAOZLJUOJK-MRXNPFEDSA-N 0 0 342.399 2.611 10 5 EFBERN Cc1cc(NC[C@H]2CN(Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183747 479199867 /nfs/dbraw/zinc/19/98/67/479199867.db2.gz STQFCZQOXXTKMC-KRWDZBQOSA-N 0 0 342.399 2.611 10 5 EFBERN O=C([C@H]1C[C@H]1C1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593142665 479201614 /nfs/dbraw/zinc/20/16/14/479201614.db2.gz OSTKJAWQQNEWEI-GJZGRUSLSA-N 0 0 332.404 2.781 10 5 EFBERN COC(=O)[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])Cc2ccccc21 ZINC000599188857 479202846 /nfs/dbraw/zinc/20/28/46/479202846.db2.gz VCMDZZMMCVHNRX-HNNXBMFYSA-N 0 0 341.367 2.883 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](CO)C[C@H]1C ZINC000599189417 479203101 /nfs/dbraw/zinc/20/31/01/479203101.db2.gz DTLRXYDMZISRKP-VXGBXAGGSA-N 0 0 331.372 2.749 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCC[C@@H](O)COCc1ccccc1 ZINC000599198368 479205047 /nfs/dbraw/zinc/20/50/47/479205047.db2.gz JRIIIKHYDPPDAF-OAHLLOKOSA-N 0 0 346.383 2.983 10 5 EFBERN COc1cc(-c2nc([C@H](C)c3cnccn3)no2)cc([N+](=O)[O-])c1C ZINC000599196296 479205309 /nfs/dbraw/zinc/20/53/09/479205309.db2.gz XZNJHYVXAJBDFW-SECBINFHSA-N 0 0 341.327 2.904 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596217375 479205805 /nfs/dbraw/zinc/20/58/05/479205805.db2.gz KUNFYLXKSHJLSQ-BONVTDFDSA-N 0 0 342.779 2.641 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599196781 479206045 /nfs/dbraw/zinc/20/60/45/479206045.db2.gz XJNYXHJBFXKZRD-ZEGGKSINSA-N 0 0 327.178 2.707 10 5 EFBERN Cc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599196205 479206077 /nfs/dbraw/zinc/20/60/77/479206077.db2.gz OZGSFJUNEKRDIN-XGWLTEMNSA-N 0 0 340.383 2.710 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC3(CCO3)CC2)ccc1[N+](=O)[O-] ZINC000596221740 479207743 /nfs/dbraw/zinc/20/77/43/479207743.db2.gz OFZLXJSBEZONHO-UHFFFAOYSA-N 0 0 340.763 2.794 10 5 EFBERN O=C1[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCN1C1CCC1 ZINC000599205709 479208811 /nfs/dbraw/zinc/20/88/11/479208811.db2.gz HCHXOXJWIAHUQK-CQSZACIVSA-N 0 0 326.356 2.708 10 5 EFBERN COc1cc(NC[C@@H]2CCCN(C(C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596226022 479210209 /nfs/dbraw/zinc/21/02/09/479210209.db2.gz SUBDBPJJSCCHTC-NSHDSACASA-N 0 0 341.795 2.927 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1(COC)CC1 ZINC000569925675 479210426 /nfs/dbraw/zinc/21/04/26/479210426.db2.gz QFCYESAYNQCUGL-UHFFFAOYSA-N 0 0 337.376 2.932 10 5 EFBERN COCCn1cc(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)cn1 ZINC000596226441 479210941 /nfs/dbraw/zinc/21/09/41/479210941.db2.gz JTKQADPWHDVJRG-UHFFFAOYSA-N 0 0 340.767 2.712 10 5 EFBERN Nc1ccc(N2CCCN(c3ccc(F)c(F)c3)CC2)nc1[N+](=O)[O-] ZINC000596227415 479211509 /nfs/dbraw/zinc/21/15/09/479211509.db2.gz XAHRQASKNBRJCW-UHFFFAOYSA-N 0 0 349.341 2.567 10 5 EFBERN CC[C@@H]1CCN1C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593162030 479212252 /nfs/dbraw/zinc/21/22/52/479212252.db2.gz GKZLOVYTUDDFBU-OAHLLOKOSA-N 0 0 328.372 2.773 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599218813 479212358 /nfs/dbraw/zinc/21/23/58/479212358.db2.gz CSAPVMCXGYIEQC-BPUTZDHNSA-N 0 0 333.388 2.913 10 5 EFBERN CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000596229735 479213293 /nfs/dbraw/zinc/21/32/93/479213293.db2.gz FDFQBYMLTVHNPX-SNVBAGLBSA-N 0 0 341.795 2.565 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)[C@H]2C[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000596229442 479213377 /nfs/dbraw/zinc/21/33/77/479213377.db2.gz BNGLKLMLZXOMFU-DTORHVGOSA-N 0 0 328.752 2.648 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCOC[C@H]1CC1CCC1 ZINC000593165539 479213411 /nfs/dbraw/zinc/21/34/11/479213411.db2.gz MAWUWXISESOYRR-OAHLLOKOSA-N 0 0 336.363 2.694 10 5 EFBERN O=[N+]([O-])c1cc(N2CCO[C@]3(CCCOC3)C2)ccc1C(F)(F)F ZINC000596232777 479214109 /nfs/dbraw/zinc/21/41/09/479214109.db2.gz FPZGOJUZXKVFLS-CQSZACIVSA-N 0 0 346.305 2.999 10 5 EFBERN CCN1C(=O)N=NC1C1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596233096 479215269 /nfs/dbraw/zinc/21/52/69/479215269.db2.gz XFPCAUDILWHJOD-UHFFFAOYSA-N 0 0 337.405 2.666 10 5 EFBERN CC[C@H](OCCNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000593175397 479220803 /nfs/dbraw/zinc/22/08/03/479220803.db2.gz NJIXJAXTQVYIOG-INIZCTEOSA-N 0 0 344.371 2.701 10 5 EFBERN COc1ccc(NC(=O)N[C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593178109 479222011 /nfs/dbraw/zinc/22/20/11/479222011.db2.gz PIIQQZNCUFJCHD-MRXNPFEDSA-N 0 0 349.387 2.930 10 5 EFBERN CC[C@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596248880 479222211 /nfs/dbraw/zinc/22/22/11/479222211.db2.gz MRHDNNBWMJAPPQ-UWVGGRQHSA-N 0 0 342.779 2.632 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000596251446 479223378 /nfs/dbraw/zinc/22/33/78/479223378.db2.gz XJCYXHGCKOELDA-MRVPVSSYSA-N 0 0 330.793 2.977 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H](C)CCCO)ccc1[N+](=O)[O-] ZINC000596249015 479223521 /nfs/dbraw/zinc/22/35/21/479223521.db2.gz BAIFTKAIMNHSEO-SECBINFHSA-N 0 0 330.768 2.855 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000610887284 479223940 /nfs/dbraw/zinc/22/39/40/479223940.db2.gz HSIOUKPAFNWLSD-MRXNPFEDSA-N 0 0 327.340 2.981 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)CCCCO)ccc1[N+](=O)[O-] ZINC000596249174 479224406 /nfs/dbraw/zinc/22/44/06/479224406.db2.gz GDXHBIBEPPUEFW-VIFPVBQESA-N 0 0 330.768 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(NCC[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000596257471 479226995 /nfs/dbraw/zinc/22/69/95/479226995.db2.gz KPQYUEIIDOLUKK-VIFPVBQESA-N 0 0 330.768 2.855 10 5 EFBERN COC(=O)c1c(Cl)c(NCCC2(CO)CC2)ccc1[N+](=O)[O-] ZINC000596257221 479227239 /nfs/dbraw/zinc/22/72/39/479227239.db2.gz KYAMKNLPNNUFEB-UHFFFAOYSA-N 0 0 328.752 2.609 10 5 EFBERN CCOC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596260162 479227908 /nfs/dbraw/zinc/22/79/08/479227908.db2.gz YPQMKZFRJMXXKW-UHFFFAOYSA-N 0 0 328.752 2.650 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2ccn(C)c(=O)c2)c1 ZINC000593188478 479230833 /nfs/dbraw/zinc/23/08/33/479230833.db2.gz IKGACHNJBHPQPE-UHFFFAOYSA-N 0 0 348.380 2.514 10 5 EFBERN C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596275378 479233449 /nfs/dbraw/zinc/23/34/49/479233449.db2.gz RBTRXVFGBNTHCQ-GHMZBOCLSA-N 0 0 347.337 2.505 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(c2ccccc2C)CCC1 ZINC000593195948 479234498 /nfs/dbraw/zinc/23/44/98/479234498.db2.gz DIOXIWBIGQUKLT-UHFFFAOYSA-N 0 0 328.372 2.604 10 5 EFBERN Cn1ccnc1[C@H](NCCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000556887126 479234632 /nfs/dbraw/zinc/23/46/32/479234632.db2.gz QWZUJAKQYFCHGJ-OAHLLOKOSA-N 0 0 332.404 2.822 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2cc3n(n2)CCC3)c1 ZINC000593194022 479234920 /nfs/dbraw/zinc/23/49/20/479234920.db2.gz HDCUBXUDJDSUCV-UHFFFAOYSA-N 0 0 347.396 2.958 10 5 EFBERN CCCC(=O)NC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610928765 479235439 /nfs/dbraw/zinc/23/54/39/479235439.db2.gz CNOKXWDCTBUBMO-UHFFFAOYSA-N 0 0 326.784 2.528 10 5 EFBERN CC(C)[C@@]1(C2CC2)NC(=O)N(Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000596278419 479235828 /nfs/dbraw/zinc/23/58/28/479235828.db2.gz MAXINMDIYABGPX-INIZCTEOSA-N 0 0 335.335 2.591 10 5 EFBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1CC[C@H]1CCCCO1 ZINC000596279586 479236773 /nfs/dbraw/zinc/23/67/73/479236773.db2.gz XRCOIOMOHSWRPQ-MRXNPFEDSA-N 0 0 331.372 2.815 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1Cn1cc2c(n1)CCOC2 ZINC000596285892 479238735 /nfs/dbraw/zinc/23/87/35/479238735.db2.gz OSDWKQFFRBQCHP-UHFFFAOYSA-N 0 0 338.161 2.675 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596285438 479239122 /nfs/dbraw/zinc/23/91/22/479239122.db2.gz BZPYAMWDWFFAIG-SKDRFNHKSA-N 0 0 340.763 2.650 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3F)CCC2)n1 ZINC000593207761 479240777 /nfs/dbraw/zinc/24/07/77/479240777.db2.gz FDBVFIMULFZAKV-UHFFFAOYSA-N 0 0 346.362 2.802 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCc2ccc(F)cc21 ZINC000596291702 479242002 /nfs/dbraw/zinc/24/20/02/479242002.db2.gz OCTKMKLHFSHCOE-LLVKDONJSA-N 0 0 343.358 2.999 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593214515 479242890 /nfs/dbraw/zinc/24/28/90/479242890.db2.gz DGIPEKDZBAQIRQ-UHFFFAOYSA-N 0 0 343.339 2.835 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000593218925 479245030 /nfs/dbraw/zinc/24/50/30/479245030.db2.gz MJBDPPHVYRJKBQ-KRWDZBQOSA-N 0 0 346.362 2.580 10 5 EFBERN C[C@H](CSc1ccccc1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000593217934 479245078 /nfs/dbraw/zinc/24/50/78/479245078.db2.gz FEUDRQPAFCUQFR-LLVKDONJSA-N 0 0 334.401 2.581 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593217754 479245320 /nfs/dbraw/zinc/24/53/20/479245320.db2.gz JLTHZJNBRDXSSM-HUUCEWRRSA-N 0 0 349.387 2.567 10 5 EFBERN Cn1c(C(=O)N2CC[C@](C)(c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000593219340 479245477 /nfs/dbraw/zinc/24/54/77/479245477.db2.gz QCQTUBFRCXBKIV-KRWDZBQOSA-N 0 0 331.347 2.876 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000584789966 479245550 /nfs/dbraw/zinc/24/55/50/479245550.db2.gz FJBYLVFIUZKQOH-UHFFFAOYSA-N 0 0 343.387 2.531 10 5 EFBERN CNC(=O)c1ccc(N2CCC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000596306921 479246928 /nfs/dbraw/zinc/24/69/28/479246928.db2.gz UFKJDOJPLZPZRX-CQSZACIVSA-N 0 0 340.383 2.733 10 5 EFBERN C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000596313280 479250242 /nfs/dbraw/zinc/25/02/42/479250242.db2.gz QVRCHBVEQAFFBX-LLVKDONJSA-N 0 0 335.385 2.609 10 5 EFBERN CCOC(=O)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610980873 479250343 /nfs/dbraw/zinc/25/03/43/479250343.db2.gz ZZSORSWNTZLKEF-UHFFFAOYSA-N 0 0 334.372 2.790 10 5 EFBERN COC[C@H](CCNc1c(Br)cccc1[N+](=O)[O-])OC ZINC000596315077 479251021 /nfs/dbraw/zinc/25/10/21/479251021.db2.gz ATOALTPFDFTBER-VIFPVBQESA-N 0 0 333.182 2.821 10 5 EFBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CCOC1 ZINC000596317049 479251891 /nfs/dbraw/zinc/25/18/91/479251891.db2.gz HEROSSBWTLAJIV-GDBMZVCRSA-N 0 0 343.383 2.542 10 5 EFBERN CC(C)n1cnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000593231183 479252727 /nfs/dbraw/zinc/25/27/27/479252727.db2.gz GZVGJAGNSKIKDQ-UHFFFAOYSA-N 0 0 335.339 2.823 10 5 EFBERN CO[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000596318629 479253086 /nfs/dbraw/zinc/25/30/86/479253086.db2.gz PGMDOUMGYIRQPW-ZANVPECISA-N 0 0 345.193 2.821 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H](CO)C2CCC2)nc1OCc1ccccc1 ZINC000596323605 479253762 /nfs/dbraw/zinc/25/37/62/479253762.db2.gz NFLWZWFTDSEMKE-OAHLLOKOSA-N 0 0 343.383 2.564 10 5 EFBERN CC(C)(C)Oc1cc(N2CC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000596321860 479253935 /nfs/dbraw/zinc/25/39/35/479253935.db2.gz MKMNHFLERYLLLX-CYBMUJFWSA-N 0 0 345.403 2.890 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](CO)C2CCC2)ccc1[N+](=O)[O-] ZINC000596323393 479254204 /nfs/dbraw/zinc/25/42/04/479254204.db2.gz KRFVJRAEJIBOAN-SNVBAGLBSA-N 0 0 328.752 2.608 10 5 EFBERN CC[C@@H](COCC1CC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596327110 479254627 /nfs/dbraw/zinc/25/46/27/479254627.db2.gz NZZZVNFRCGAMKX-JTQLQIEISA-N 0 0 348.446 2.677 10 5 EFBERN CC[C@@H](COCC1CC1)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000596328463 479256118 /nfs/dbraw/zinc/25/61/18/479256118.db2.gz YYMZUZLWEQVENQ-LBPRGKRZSA-N 0 0 337.376 2.702 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccco3)CC2)n1 ZINC000596333175 479257926 /nfs/dbraw/zinc/25/79/26/479257926.db2.gz FBPXVANRHNXUEE-UHFFFAOYSA-N 0 0 331.328 2.753 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2ncccc2C1 ZINC000611007537 479260704 /nfs/dbraw/zinc/26/07/04/479260704.db2.gz PMDJOVHCGQCDKP-UHFFFAOYSA-N 0 0 336.351 2.529 10 5 EFBERN CC[C@H](OCCNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000593251572 479261127 /nfs/dbraw/zinc/26/11/27/479261127.db2.gz LBURGCLHZQAXFL-INIZCTEOSA-N 0 0 331.372 2.831 10 5 EFBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ncnn21 ZINC000596347318 479261217 /nfs/dbraw/zinc/26/12/17/479261217.db2.gz WNTIFZBUVXDQGF-APPZFPTMSA-N 0 0 325.275 2.906 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000596350986 479262033 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CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596369081 479269810 /nfs/dbraw/zinc/26/98/10/479269810.db2.gz NFODYWOZCJQUHB-IRUJWGPZSA-N 0 0 329.784 2.621 10 5 EFBERN O=[N+]([O-])c1cnc2c(I)cncc2c1Cl ZINC000584882095 479269948 /nfs/dbraw/zinc/26/99/48/479269948.db2.gz LGNUHTRFKRIYCZ-UHFFFAOYSA-N 0 0 335.488 2.796 10 5 EFBERN COc1cc(N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c([N+](=O)[O-])cc1F ZINC000596375270 479271517 /nfs/dbraw/zinc/27/15/17/479271517.db2.gz OITWTJLAFCWGLZ-VUHZHCFISA-N 0 0 330.381 2.844 10 5 EFBERN COc1cc(N[C@@H]2CCC[C@H]([S@](C)=O)C2)c([N+](=O)[O-])cc1F ZINC000596374805 479272174 /nfs/dbraw/zinc/27/21/74/479272174.db2.gz OITWTJLAFCWGLZ-BNMUBRSASA-N 0 0 330.381 2.844 10 5 EFBERN CC(C)(C(=O)NCc1cc2n(n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000603144124 479272541 /nfs/dbraw/zinc/27/25/41/479272541.db2.gz WIHWHRQABRRRPR-UHFFFAOYSA-N 0 0 342.399 2.722 10 5 EFBERN O=C(NCc1cc2n(n1)CCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000603144085 479272878 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599405335 479286484 /nfs/dbraw/zinc/28/64/84/479286484.db2.gz ZWWWONOKEAGUKI-NEPJUHHUSA-N 0 0 342.442 2.562 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599404316 479286782 /nfs/dbraw/zinc/28/67/82/479286782.db2.gz PBTKYWISDDPVMH-NEPJUHHUSA-N 0 0 342.442 2.562 10 5 EFBERN O=[N+]([O-])c1sccc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596424988 479288561 /nfs/dbraw/zinc/28/85/61/479288561.db2.gz VYJOBRLKRHYGQA-AWEZNQCLSA-N 0 0 333.413 2.835 10 5 EFBERN C[C@H]1C[C@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H](C)C1 ZINC000596425054 479289531 /nfs/dbraw/zinc/28/95/31/479289531.db2.gz PGCSLYOUKOPPIV-GDNZZTSVSA-N 0 0 341.433 2.726 10 5 EFBERN CO[C@]1(CO)CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000596429873 479292007 /nfs/dbraw/zinc/29/20/07/479292007.db2.gz NAHIUXMRCLLJIT-MRXNPFEDSA-N 0 0 349.412 2.696 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)nc1 ZINC000596444428 479296864 /nfs/dbraw/zinc/29/68/64/479296864.db2.gz SOWKHTKOISBHBO-VIFPVBQESA-N 0 0 340.265 2.535 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H](C)C2)n1 ZINC000593326300 479297443 /nfs/dbraw/zinc/29/74/43/479297443.db2.gz KAQPSCBWKMXOEN-GFCCVEGCSA-N 0 0 328.372 2.613 10 5 EFBERN Cn1ncc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1C(F)F ZINC000611158536 479297521 /nfs/dbraw/zinc/29/75/21/479297521.db2.gz GSFKYZMFXQXXLK-UHFFFAOYSA-N 0 0 335.270 3.000 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000557647347 479298736 /nfs/dbraw/zinc/29/87/36/479298736.db2.gz ZJKCSUKKUJHTME-UONOGXRCSA-N 0 0 348.399 2.943 10 5 EFBERN COC(=O)c1ccc(CN(C)Cc2c(F)cccc2[N+](=O)[O-])nc1 ZINC000599443274 479299389 /nfs/dbraw/zinc/29/93/89/479299389.db2.gz LHFQZJHYIWNBJC-UHFFFAOYSA-N 0 0 333.319 2.548 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NC1(CCOCc2ccccc2)CC1 ZINC000611168920 479299957 /nfs/dbraw/zinc/29/99/57/479299957.db2.gz PNGMJVJDSVSYBX-UHFFFAOYSA-N 0 0 343.383 2.803 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H]1CC=CCC1 ZINC000599445201 479300279 /nfs/dbraw/zinc/30/02/79/479300279.db2.gz MHDUBXPSQRLTNS-LBPRGKRZSA-N 0 0 340.401 2.628 10 5 EFBERN CCC(F)(F)C(C)(C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599444900 479300592 /nfs/dbraw/zinc/30/05/92/479300592.db2.gz HFAFQVHSJXUQGR-UHFFFAOYSA-N 0 0 336.360 2.945 10 5 EFBERN CC[C@H](NC(=O)N1C[C@H](C)[C@](C)(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000596455170 479301458 /nfs/dbraw/zinc/30/14/58/479301458.db2.gz PLRWWSQDWYHHSK-NUTKFTJISA-N 0 0 335.404 2.706 10 5 EFBERN C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000593341457 479303741 /nfs/dbraw/zinc/30/37/41/479303741.db2.gz AHGUVFSXSFAHLV-LLVKDONJSA-N 0 0 349.387 2.834 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611179874 479304294 /nfs/dbraw/zinc/30/42/94/479304294.db2.gz MLIMBMOXPYHPMM-GHMZBOCLSA-N 0 0 327.331 2.817 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599460002 479304839 /nfs/dbraw/zinc/30/48/39/479304839.db2.gz PHIQZQOBDYSXBR-QWHCGFSZSA-N 0 0 338.410 2.799 10 5 EFBERN COC(=O)c1nn(Cc2cccc([N+](=O)[O-])c2C)c2c1CCCC2 ZINC000611183390 479304863 /nfs/dbraw/zinc/30/48/63/479304863.db2.gz CETBEFUOJJGSKJ-UHFFFAOYSA-N 0 0 329.356 2.813 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000599460512 479305281 /nfs/dbraw/zinc/30/52/81/479305281.db2.gz YCNXKSAPRHKDBL-UONOGXRCSA-N 0 0 338.410 2.632 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccsc2)s1 ZINC000599459417 479305477 /nfs/dbraw/zinc/30/54/77/479305477.db2.gz JNGRIHCUZOAJNZ-DTWKUNHWSA-N 0 0 330.412 2.552 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCC1(CO)CCC1 ZINC000593347748 479306115 /nfs/dbraw/zinc/30/61/15/479306115.db2.gz IZOLIGAPDQOHQT-UHFFFAOYSA-N 0 0 349.431 2.769 10 5 EFBERN Cc1cccc([C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(C)C)c1 ZINC000599465799 479306420 /nfs/dbraw/zinc/30/64/20/479306420.db2.gz RPDGFNGPXCSYCQ-OAHLLOKOSA-N 0 0 349.412 2.974 10 5 EFBERN COc1cccc(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1 ZINC000574571767 479309470 /nfs/dbraw/zinc/30/94/70/479309470.db2.gz NEOKUAPTZOGIHB-UHFFFAOYSA-N 0 0 342.351 2.527 10 5 EFBERN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000596474108 479309634 /nfs/dbraw/zinc/30/96/34/479309634.db2.gz JLHCKCSOXSAQQG-CJNGLKHVSA-N 0 0 343.387 2.861 10 5 EFBERN C[C@@]12COC[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000596472775 479309649 /nfs/dbraw/zinc/30/96/49/479309649.db2.gz JITNNJNHFWEPQT-LKFCYVNXSA-N 0 0 325.752 2.748 10 5 EFBERN Nc1cc(NC[C@@H]2C[C@H](c3ccccc3)CO2)cc(CO)c1[N+](=O)[O-] ZINC000596474485 479309700 /nfs/dbraw/zinc/30/97/00/479309700.db2.gz PBCGGJYZXXHXGF-HOCLYGCPSA-N 0 0 343.383 2.654 10 5 EFBERN C[C@]12COC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000596472776 479309768 /nfs/dbraw/zinc/30/97/68/479309768.db2.gz JITNNJNHFWEPQT-OTYXRUKQSA-N 0 0 325.752 2.748 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593358103 479310375 /nfs/dbraw/zinc/31/03/75/479310375.db2.gz GWZWOKNICJQJHL-CQSZACIVSA-N 0 0 325.315 2.655 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000596476228 479310417 /nfs/dbraw/zinc/31/04/17/479310417.db2.gz YHGOMXZXIKQTLR-BBRMVZONSA-N 0 0 343.387 2.861 10 5 EFBERN NC(=O)c1cc(NC[C@@H]2C[C@H](c3ccccc3)CO2)ccc1[N+](=O)[O-] ZINC000596475306 479310473 /nfs/dbraw/zinc/31/04/73/479310473.db2.gz YPORLRLARAKIKS-ZFWWWQNUSA-N 0 0 341.367 2.678 10 5 EFBERN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000596475213 479310767 /nfs/dbraw/zinc/31/07/67/479310767.db2.gz WPPOLXIYQLCVRT-KBPBESRZSA-N 0 0 341.367 2.678 10 5 EFBERN CCOC(=O)c1ccnc(N2CCC[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000596477989 479311190 /nfs/dbraw/zinc/31/11/90/479311190.db2.gz FYNJZZWKBOGPIR-NSHDSACASA-N 0 0 325.340 2.743 10 5 EFBERN CCOC(=O)c1cc(NCc2nccc(OC)c2F)ccc1[N+](=O)[O-] ZINC000596478446 479311255 /nfs/dbraw/zinc/31/12/55/479311255.db2.gz MYJUQTZMAGJVAO-UHFFFAOYSA-N 0 0 349.318 2.926 10 5 EFBERN C[C@@]1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1(F)F ZINC000596479421 479311269 /nfs/dbraw/zinc/31/12/69/479311269.db2.gz UWKDLUYPTKGHPD-AWEZNQCLSA-N 0 0 325.315 2.944 10 5 EFBERN CCc1cc(N2CC[C@@]3(O)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596482682 479312223 /nfs/dbraw/zinc/31/22/23/479312223.db2.gz SZMIEUKHUCGVFB-SCLBCKFNSA-N 0 0 340.383 2.575 10 5 EFBERN Cc1cc(N2C[C@@H]3COC[C@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596483054 479313120 /nfs/dbraw/zinc/31/31/20/479313120.db2.gz OELQEXCWOABFOO-KDOFPFPSSA-N 0 0 340.383 2.833 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2ccc3c(c2)CCOC3)c1[N+](=O)[O-] ZINC000596485725 479313228 /nfs/dbraw/zinc/31/32/28/479313228.db2.gz OPWWVCRLDYZCGU-UHFFFAOYSA-N 0 0 343.339 2.901 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2COC[C@H]2C1 ZINC000596485282 479313475 /nfs/dbraw/zinc/31/34/75/479313475.db2.gz FOLAOZJMFFATTK-NXEZZACHSA-N 0 0 325.752 2.748 10 5 EFBERN Cn1cc(C[C@H]2CCC[C@H]2Nc2ccc([N+](=O)[O-])c(N)c2F)cn1 ZINC000596487232 479314681 /nfs/dbraw/zinc/31/46/81/479314681.db2.gz FOVYPDPYFRJDDL-VXGBXAGGSA-N 0 0 333.367 2.873 10 5 EFBERN COCc1ccnc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000593369516 479315189 /nfs/dbraw/zinc/31/51/89/479315189.db2.gz QHFNOWVIIYGBGI-UHFFFAOYSA-N 0 0 330.344 2.577 10 5 EFBERN COC(=O)C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000596490838 479315318 /nfs/dbraw/zinc/31/53/18/479315318.db2.gz GDDMXPLYINCETK-SECBINFHSA-N 0 0 336.373 2.601 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000599506794 479315627 /nfs/dbraw/zinc/31/56/27/479315627.db2.gz IQHLPXGPJARSKA-NHYWBVRUSA-N 0 0 340.401 2.557 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000593373062 479316241 /nfs/dbraw/zinc/31/62/41/479316241.db2.gz PKSADFYNSNMFDD-ZDUSSCGKSA-N 0 0 335.404 2.816 10 5 EFBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599507220 479316415 /nfs/dbraw/zinc/31/64/15/479316415.db2.gz SMCJPJFGYAYZPL-HOCLYGCPSA-N 0 0 338.429 2.732 10 5 EFBERN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000596493071 479316439 /nfs/dbraw/zinc/31/64/39/479316439.db2.gz GKDTUXAVVVRPQT-BDAKNGLRSA-N 0 0 330.182 2.756 10 5 EFBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000599507222 479316717 /nfs/dbraw/zinc/31/67/17/479316717.db2.gz SNLPWWXNXOWNIN-HZMBPMFUSA-N 0 0 328.365 2.687 10 5 EFBERN CSc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000611231031 479317591 /nfs/dbraw/zinc/31/75/91/479317591.db2.gz WJJPUCKIGBCLPT-UHFFFAOYSA-N 0 0 332.385 2.787 10 5 EFBERN Cc1cncc(CCNc2ncc([N+](=O)[O-])cc2Br)n1 ZINC000596497760 479317707 /nfs/dbraw/zinc/31/77/07/479317707.db2.gz COXYUCKSJBFCSK-UHFFFAOYSA-N 0 0 338.165 2.505 10 5 EFBERN COc1cc(C(=O)Nc2ccnc(SC)c2)c([N+](=O)[O-])cc1OC ZINC000611231041 479317797 /nfs/dbraw/zinc/31/77/97/479317797.db2.gz YZQIGPPANTWAHI-UHFFFAOYSA-N 0 0 349.368 2.981 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000611233974 479318888 /nfs/dbraw/zinc/31/88/88/479318888.db2.gz PYLHXNGAZQCMCA-KGLIPLIRSA-N 0 0 328.372 2.785 10 5 EFBERN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000596500403 479319001 /nfs/dbraw/zinc/31/90/01/479319001.db2.gz BCXHQCJFXWMDPS-XPTSAGLGSA-N 0 0 329.303 2.871 10 5 EFBERN COc1cc(N2CCO[C@H](C(F)(F)F)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596502317 479319957 /nfs/dbraw/zinc/31/99/57/479319957.db2.gz MHHYVDHEOJFRQA-MADCSZMMSA-N 0 0 338.257 2.899 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC000599521978 479320241 /nfs/dbraw/zinc/32/02/41/479320241.db2.gz XFGIAHQARMQJSD-AWEZNQCLSA-N 0 0 338.429 2.637 10 5 EFBERN Cc1sc(S(=O)(=O)NC[C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599520252 479320806 /nfs/dbraw/zinc/32/08/06/479320806.db2.gz HWNAMQZDMUEJGT-SNVBAGLBSA-N 0 0 330.431 2.823 10 5 EFBERN CCCCC[C@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000596506699 479321086 /nfs/dbraw/zinc/32/10/86/479321086.db2.gz SHOKHZKDYUEUFO-AWEZNQCLSA-N 0 0 337.424 2.936 10 5 EFBERN C[C@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000599531078 479322005 /nfs/dbraw/zinc/32/20/05/479322005.db2.gz HGDAWICHFQGTOR-ZJUUUORDSA-N 0 0 346.309 2.591 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000596513333 479323705 /nfs/dbraw/zinc/32/37/05/479323705.db2.gz VJHMNQZNBBIIPC-LLVKDONJSA-N 0 0 333.266 2.780 10 5 EFBERN CC(C)[C@H](O)[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000596517306 479325202 /nfs/dbraw/zinc/32/52/02/479325202.db2.gz MBELGJWWVHKYPE-AEFFLSMTSA-N 0 0 345.399 2.839 10 5 EFBERN CCOC(=O)c1ccnc(N2CC3(CCCC3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596516577 479325382 /nfs/dbraw/zinc/32/53/82/479325382.db2.gz VFPMXYVQTZFPDJ-LBPRGKRZSA-N 0 0 349.387 2.704 10 5 EFBERN O=C(c1cc(NCC2CCC(O)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596516481 479325632 /nfs/dbraw/zinc/32/56/32/479325632.db2.gz XJFDLAWANUOACV-UHFFFAOYSA-N 0 0 347.415 2.794 10 5 EFBERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000599547244 479327657 /nfs/dbraw/zinc/32/76/57/479327657.db2.gz ABFDVNVNVNOKPM-MRXNPFEDSA-N 0 0 348.330 2.989 10 5 EFBERN O=C1CCCN1C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596525079 479328146 /nfs/dbraw/zinc/32/81/46/479328146.db2.gz JQUVNVWRSCMVHR-CYBMUJFWSA-N 0 0 340.383 2.592 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2cccnc2)CC1 ZINC000611265472 479328896 /nfs/dbraw/zinc/32/88/96/479328896.db2.gz TZOAIUVVRBLNNT-UHFFFAOYSA-N 0 0 325.368 2.939 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2COC[C@@H]2C1 ZINC000596526723 479328986 /nfs/dbraw/zinc/32/89/86/479328986.db2.gz GGSWGXDQASIFCZ-NEPJUHHUSA-N 0 0 329.356 2.624 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1NCC1(O)CCC(F)(F)CC1 ZINC000596528251 479328995 /nfs/dbraw/zinc/32/89/95/479328995.db2.gz QUANKSFAONTPDL-UHFFFAOYSA-N 0 0 337.326 2.917 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2COC[C@@H]2C1 ZINC000596527311 479329072 /nfs/dbraw/zinc/32/90/72/479329072.db2.gz INVNLSBFEINKFG-ZJUUUORDSA-N 0 0 327.178 2.830 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NCC2(O)CCC(F)(F)CC2)s1 ZINC000596528453 479329135 /nfs/dbraw/zinc/32/91/35/479329135.db2.gz UPQPYJNYGPBHTO-UHFFFAOYSA-N 0 0 344.343 2.952 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccon3)CC2)c1 ZINC000596530696 479330073 /nfs/dbraw/zinc/33/00/73/479330073.db2.gz UEUAZGWGSBQQOK-UHFFFAOYSA-N 0 0 331.328 2.753 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553431 479330961 /nfs/dbraw/zinc/33/09/61/479330961.db2.gz UMSCWGPFSKOUFP-OLZOCXBDSA-N 0 0 335.429 2.812 10 5 EFBERN O=C1N(CCNc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]2CCCCN12 ZINC000596533687 479331249 /nfs/dbraw/zinc/33/12/49/479331249.db2.gz JWGGUZRAACLTNO-LBPRGKRZSA-N 0 0 338.795 2.950 10 5 EFBERN CCOC(=O)c1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)on1 ZINC000602438086 479331424 /nfs/dbraw/zinc/33/14/24/479331424.db2.gz ARFCAONEFWLQFC-UHFFFAOYSA-N 0 0 345.355 2.924 10 5 EFBERN Cc1cc(NCCN2C[C@@H]3CCCCN3C2=O)c(F)cc1[N+](=O)[O-] ZINC000596535883 479331839 /nfs/dbraw/zinc/33/18/39/479331839.db2.gz VBNKDZQAINHMIE-LBPRGKRZSA-N 0 0 336.367 2.744 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCOc2ncccc2C1 ZINC000585801605 479332828 /nfs/dbraw/zinc/33/28/28/479332828.db2.gz WSERENIMHLWJQU-UHFFFAOYSA-N 0 0 328.328 2.725 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000596537734 479333158 /nfs/dbraw/zinc/33/31/58/479333158.db2.gz MKXMBTYNKGLPRL-ZDUSSCGKSA-N 0 0 333.388 2.538 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nnc(C3CC3)n2C)c1 ZINC000593419297 479333201 /nfs/dbraw/zinc/33/32/01/479333201.db2.gz TYXCKWVFQGEDSC-UHFFFAOYSA-N 0 0 348.384 2.680 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](C1CC1)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC000596540110 479333407 /nfs/dbraw/zinc/33/34/07/479333407.db2.gz JPNHFHQPRXEQDG-ABAIWWIYSA-N 0 0 335.404 2.752 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NCC1(CC(N)=O)CCCCC1 ZINC000596541106 479334441 /nfs/dbraw/zinc/33/44/41/479334441.db2.gz APFFLTLCHNCYAE-UHFFFAOYSA-N 0 0 335.404 2.979 10 5 EFBERN CCOC(=O)[C@H](CC)SCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593422911 479334523 /nfs/dbraw/zinc/33/45/23/479334523.db2.gz OMCOZVBPDBDOBR-ZDUSSCGKSA-N 0 0 341.385 2.956 10 5 EFBERN CC1(C)OCC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596547182 479335114 /nfs/dbraw/zinc/33/51/14/479335114.db2.gz XVVUOHLGXHDNEO-GFCCVEGCSA-N 0 0 333.388 2.714 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCc3ccccc32)n1 ZINC000596544344 479335216 /nfs/dbraw/zinc/33/52/16/479335216.db2.gz OXQBZXSTDUQRIP-ZDUSSCGKSA-N 0 0 341.367 2.943 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCc3ccccc32)n1 ZINC000596544343 479335341 /nfs/dbraw/zinc/33/53/41/479335341.db2.gz OXQBZXSTDUQRIP-CYBMUJFWSA-N 0 0 341.367 2.943 10 5 EFBERN Cc1cccc2c1CCC[C@H]2Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596544975 479335452 /nfs/dbraw/zinc/33/54/52/479335452.db2.gz UFLYDEBCXLSDPZ-OAHLLOKOSA-N 0 0 326.356 2.887 10 5 EFBERN CC(C)NC(=O)c1ccc(NC[C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000596546781 479335689 /nfs/dbraw/zinc/33/56/89/479335689.db2.gz UXSCXDBFSVPGAY-ZDUSSCGKSA-N 0 0 335.404 2.960 10 5 EFBERN CC(=O)c1ccc2c(c1)oc(=O)n2Cc1c(F)cccc1[N+](=O)[O-] ZINC000585814352 479335916 /nfs/dbraw/zinc/33/59/16/479335916.db2.gz BLCQYDFCFSYTTQ-UHFFFAOYSA-N 0 0 330.271 2.893 10 5 EFBERN NC(=O)CC1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCCCC1 ZINC000596548464 479336636 /nfs/dbraw/zinc/33/66/36/479336636.db2.gz CXIYWLICYZUKKQ-UHFFFAOYSA-N 0 0 349.416 2.837 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000596555627 479337479 /nfs/dbraw/zinc/33/74/79/479337479.db2.gz RNIAVKQICDORMZ-WCBMZHEXSA-N 0 0 336.314 2.666 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCn3c(nnc3C(C)(C)C)C2)n1 ZINC000596555713 479338197 /nfs/dbraw/zinc/33/81/97/479338197.db2.gz SZTHHMLBWHUACA-UHFFFAOYSA-N 0 0 330.392 2.516 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](CC(F)(F)F)C3)c21 ZINC000596556984 479338324 /nfs/dbraw/zinc/33/83/24/479338324.db2.gz DIZVBYXSVPLDOR-VIFPVBQESA-N 0 0 342.277 2.696 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@H](CC(F)(F)F)C2)s1 ZINC000596558099 479338486 /nfs/dbraw/zinc/33/84/86/479338486.db2.gz NDCPJGNJYFMHBB-SSDOTTSWSA-N 0 0 348.306 2.757 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](c2ccccc2)[C@H](C)O)c1[N+](=O)[O-] ZINC000596563930 479341298 /nfs/dbraw/zinc/34/12/98/479341298.db2.gz AACBNXPWWLLMNU-SMDDNHRTSA-N 0 0 345.355 2.619 10 5 EFBERN COc1ccccc1-c1cc(CNc2c([N+](=O)[O-])c(C)nn2C)on1 ZINC000596566759 479342694 /nfs/dbraw/zinc/34/26/94/479342694.db2.gz KLACNVOSWSDFKR-UHFFFAOYSA-N 0 0 343.343 2.912 10 5 EFBERN CC(C)Oc1nc(N[C@@H](c2ccccc2)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000596567117 479342782 /nfs/dbraw/zinc/34/27/82/479342782.db2.gz OZTOHTPPCXRKSW-BLLLJJGKSA-N 0 0 331.372 2.733 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)[C@@H](C)c1ccccc1 ZINC000611303799 479343312 /nfs/dbraw/zinc/34/33/12/479343312.db2.gz XXTGHKWSZWZRDW-SUMWQHHRSA-N 0 0 328.368 2.798 10 5 EFBERN COC(=O)c1cnc([C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)s1 ZINC000596568971 479343540 /nfs/dbraw/zinc/34/35/40/479343540.db2.gz GWILCIWYMRPLSB-JTQLQIEISA-N 0 0 348.384 2.617 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@](C)(C(F)F)C1 ZINC000596570931 479344039 /nfs/dbraw/zinc/34/40/39/479344039.db2.gz ATLZAIZVZKQGLR-HNNXBMFYSA-N 0 0 344.314 2.550 10 5 EFBERN Cc1nc(N2CC3CC2(C)C3)nc(N2CC3CC2(C)C3)c1[N+](=O)[O-] ZINC000596575294 479344908 /nfs/dbraw/zinc/34/49/08/479344908.db2.gz OMIZIXBYRLOBEL-UHFFFAOYSA-N 0 0 329.404 2.671 10 5 EFBERN CCn1nccc1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596573836 479344921 /nfs/dbraw/zinc/34/49/21/479344921.db2.gz XLUMRHRFMVCXRM-UHFFFAOYSA-N 0 0 338.751 2.863 10 5 EFBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@](C)(C(F)F)O1 ZINC000596573613 479344988 /nfs/dbraw/zinc/34/49/88/479344988.db2.gz LEEJPYIRDNCLAC-RTHLEPHNSA-N 0 0 326.303 2.720 10 5 EFBERN NC(=O)c1cc(N2CC3(CCC3)[C@@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000596574100 479345017 /nfs/dbraw/zinc/34/50/17/479345017.db2.gz NMJOHLACAGYWPX-INIZCTEOSA-N 0 0 338.367 2.820 10 5 EFBERN C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@](C)(C(F)F)O1 ZINC000596574965 479345322 /nfs/dbraw/zinc/34/53/22/479345322.db2.gz RVANTLPVHWXAEG-VFZGTOFNSA-N 0 0 327.331 2.812 10 5 EFBERN COC(=O)c1ccc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000586760136 479345443 /nfs/dbraw/zinc/34/54/43/479345443.db2.gz SILMQLJTQYHFDP-LBPRGKRZSA-N 0 0 329.356 2.969 10 5 EFBERN Cc1c(CNC(=O)N[C@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000596579230 479346109 /nfs/dbraw/zinc/34/61/09/479346109.db2.gz MFQVMPMCNTUJSD-DYVFJYSZSA-N 0 0 343.383 2.825 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C(F)(F)F ZINC000599595454 479346219 /nfs/dbraw/zinc/34/62/19/479346219.db2.gz GFFOMSHHHCPGFX-LBPRGKRZSA-N 0 0 331.294 2.868 10 5 EFBERN O=C(CCNc1ccnc2cc([N+](=O)[O-])ccc21)N1CCCCC1 ZINC000593454406 479347465 /nfs/dbraw/zinc/34/74/65/479347465.db2.gz GYSHINNPKPDKLF-UHFFFAOYSA-N 0 0 328.372 2.958 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1COc2cc(F)ccc2C1 ZINC000599599387 479347535 /nfs/dbraw/zinc/34/75/35/479347535.db2.gz PTZLUWQSCKZLLN-AWEZNQCLSA-N 0 0 344.342 2.644 10 5 EFBERN C[C@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCCO1 ZINC000596581600 479347715 /nfs/dbraw/zinc/34/77/15/479347715.db2.gz DDPONXNDWRGUGF-DOMZBBRYSA-N 0 0 346.387 2.990 10 5 EFBERN CO[C@@H](c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)[C@@H]1CCOC1 ZINC000596589165 479349758 /nfs/dbraw/zinc/34/97/58/479349758.db2.gz CQNOKUQNCMNPFF-IUODEOHRSA-N 0 0 333.344 2.601 10 5 EFBERN CO[C@H](c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)[C@@H]1CCOC1 ZINC000596589164 479349825 /nfs/dbraw/zinc/34/98/25/479349825.db2.gz CQNOKUQNCMNPFF-DOMZBBRYSA-N 0 0 333.344 2.601 10 5 EFBERN Cc1cc(Cc2noc([C@@]34C[C@@H]3COC4(C)C)n2)ccc1[N+](=O)[O-] ZINC000596589927 479349861 /nfs/dbraw/zinc/34/98/61/479349861.db2.gz GVIMBTBZXGOWSE-SJKOYZFVSA-N 0 0 329.356 2.944 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000586777262 479350109 /nfs/dbraw/zinc/35/01/09/479350109.db2.gz JFBMNNWIPBTBMO-MFKMUULPSA-N 0 0 334.294 2.625 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000596588022 479350150 /nfs/dbraw/zinc/35/01/50/479350150.db2.gz LYDZIZBDVNTCLB-GMXVVIOVSA-N 0 0 343.387 2.707 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@](O)(C(F)(F)F)C1 ZINC000593461049 479350438 /nfs/dbraw/zinc/35/04/38/479350438.db2.gz GNBRQNVZIGQPLO-CYBMUJFWSA-N 0 0 327.262 2.647 10 5 EFBERN O=C1CCCN1[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593462831 479351461 /nfs/dbraw/zinc/35/14/61/479351461.db2.gz GXSHJMPPRJPHAG-CQSZACIVSA-N 0 0 340.383 2.734 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000586777834 479351517 /nfs/dbraw/zinc/35/15/17/479351517.db2.gz YVZWHXCAYIBWDL-ZANVPECISA-N 0 0 334.294 2.755 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000586778000 479351648 /nfs/dbraw/zinc/35/16/48/479351648.db2.gz IQOMITYKWRBFOA-RNCFNFMXSA-N 0 0 334.294 2.755 10 5 EFBERN COc1cc(Cc2noc(C[C@@H](C)[C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000596596363 479352334 /nfs/dbraw/zinc/35/23/34/479352334.db2.gz OKPRGFFXGRIGML-BXUZGUMPSA-N 0 0 347.371 2.935 10 5 EFBERN COc1cc(Cc2noc(C(C)(C)n3cccn3)n2)ccc1[N+](=O)[O-] ZINC000596596246 479352382 /nfs/dbraw/zinc/35/23/82/479352382.db2.gz LMGQTLVMWCOOPG-UHFFFAOYSA-N 0 0 343.343 2.557 10 5 EFBERN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@]2(CCOC2)O1 ZINC000593468405 479355616 /nfs/dbraw/zinc/35/56/16/479355616.db2.gz HAULVZLBCFWCKD-SJCJKPOMSA-N 0 0 329.356 2.527 10 5 EFBERN CCn1cnc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)c1 ZINC000596603905 479355999 /nfs/dbraw/zinc/35/59/99/479355999.db2.gz ZLKPHXLZAZISBY-UHFFFAOYSA-N 0 0 340.343 2.886 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(Cn2cncn2)CC1 ZINC000593470395 479356723 /nfs/dbraw/zinc/35/67/23/479356723.db2.gz KBKCERBHZWXSJG-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN O=C(NCCCNc1ccnc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000593469971 479356828 /nfs/dbraw/zinc/35/68/28/479356828.db2.gz YLQKYBKWKPOCEM-UHFFFAOYSA-N 0 0 328.372 2.861 10 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/nfs/dbraw/zinc/36/09/45/479360945.db2.gz FFEHAUOCBDFAHN-UHFFFAOYSA-N 0 0 348.399 2.557 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1-c1nc(C[C@@H]2C[C@H]2c2ccccc2)no1 ZINC000596620128 479361439 /nfs/dbraw/zinc/36/14/39/479361439.db2.gz YYDAJSLHMLCIRE-RYUDHWBXSA-N 0 0 325.328 2.725 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(CO)CCc3ccccc32)n1 ZINC000593483548 479361603 /nfs/dbraw/zinc/36/16/03/479361603.db2.gz CVDIMSQGDBBNSD-SFHVURJKSA-N 0 0 327.384 2.895 10 5 EFBERN CC[C@H](OCCNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000593488924 479363266 /nfs/dbraw/zinc/36/32/66/479363266.db2.gz ODFIOIBDEIBUJG-AWEZNQCLSA-N 0 0 341.371 2.639 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000596626768 479363481 /nfs/dbraw/zinc/36/34/81/479363481.db2.gz RDHXONBKHGQZCD-MRXNPFEDSA-N 0 0 335.360 2.636 10 5 EFBERN CC(C)(O)C1CCC(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000593488554 479363588 /nfs/dbraw/zinc/36/35/88/479363588.db2.gz JMZHAGMYYFGNMW-UHFFFAOYSA-N 0 0 334.416 2.831 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593487027 479363701 /nfs/dbraw/zinc/36/37/01/479363701.db2.gz KYUAIGCRLXUQOK-IAQYHMDHSA-N 0 0 335.404 2.696 10 5 EFBERN COC(=O)[C@@](C)(NCc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000599642699 479364715 /nfs/dbraw/zinc/36/47/15/479364715.db2.gz IYSZTERTMPPAGV-HNNXBMFYSA-N 0 0 335.385 2.538 10 5 EFBERN CCOc1cc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599643192 479365009 /nfs/dbraw/zinc/36/50/09/479365009.db2.gz ZMIAPWXGZAOHSK-AWEZNQCLSA-N 0 0 344.371 2.826 10 5 EFBERN COC(=O)[C@](C)(NCc1ccncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000599642540 479365045 /nfs/dbraw/zinc/36/50/45/479365045.db2.gz IDMCTTJEWLGUIM-MRXNPFEDSA-N 0 0 349.774 2.821 10 5 EFBERN Cc1ccc(NC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000596633748 479365085 /nfs/dbraw/zinc/36/50/85/479365085.db2.gz ADNCOUQNWXNJRO-ZDUSSCGKSA-N 0 0 348.403 2.672 10 5 EFBERN COC(=O)[C@@](C)(NCCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000599642317 479365121 /nfs/dbraw/zinc/36/51/21/479365121.db2.gz DVDRCSBLBLCPHD-INIZCTEOSA-N 0 0 349.412 2.580 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](CCF)C1 ZINC000599642574 479365409 /nfs/dbraw/zinc/36/54/09/479365409.db2.gz MTSHAXDPDFEOQA-HNNXBMFYSA-N 0 0 326.368 2.942 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C1CC1)C1CCOCC1 ZINC000593492995 479365725 /nfs/dbraw/zinc/36/57/25/479365725.db2.gz TUKOPFBZPGYFQF-MRXNPFEDSA-N 0 0 333.388 2.572 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2Cc3cccc(OC)c3C2)c1 ZINC000599645027 479366071 /nfs/dbraw/zinc/36/60/71/479366071.db2.gz ZILZKLQJKBJNKL-UHFFFAOYSA-N 0 0 342.351 2.906 10 5 EFBERN NC(=O)c1cccc([N+](=O)[O-])c1N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593495120 479366124 /nfs/dbraw/zinc/36/61/24/479366124.db2.gz TUTOTGGSNISLAO-UHFFFAOYSA-N 0 0 347.268 2.565 10 5 EFBERN COC(=O)[C@@](C)(NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000599643740 479366197 /nfs/dbraw/zinc/36/61/97/479366197.db2.gz QKFACEVUKHNVBP-SFHVURJKSA-N 0 0 344.367 2.781 10 5 EFBERN COC(=O)c1ccc(-c2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000596637148 479366308 /nfs/dbraw/zinc/36/63/08/479366308.db2.gz RSPXVOXFJIMNIW-UHFFFAOYSA-N 0 0 328.328 2.852 10 5 EFBERN COC(=O)[C@@](C)(NCc1ncccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000599648158 479367058 /nfs/dbraw/zinc/36/70/58/479367058.db2.gz USHCCQWIQGCLMT-INIZCTEOSA-N 0 0 349.774 2.821 10 5 EFBERN COC(=O)[C@](C)(NCCCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000599647264 479367469 /nfs/dbraw/zinc/36/74/69/479367469.db2.gz BOGJLQRHUYCTOS-GOSISDBHSA-N 0 0 343.383 2.600 10 5 EFBERN C[C@H]1C[C@H]1c1noc(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000593503250 479367821 /nfs/dbraw/zinc/36/78/21/479367821.db2.gz QXUNVURHHBOHFE-SMDDNHRTSA-N 0 0 343.387 2.955 10 5 EFBERN C[C@H]1C[C@H]1c1noc(CC2CCN(c3ccncc3[N+](=O)[O-])CC2)n1 ZINC000593500526 479367919 /nfs/dbraw/zinc/36/79/19/479367919.db2.gz CODGFIBZEWLXOG-WCQYABFASA-N 0 0 343.387 2.955 10 5 EFBERN C[C@@H]1C[C@@H]1c1noc(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000593500617 479368561 /nfs/dbraw/zinc/36/85/61/479368561.db2.gz DVJRYBQDYGEJCS-RISCZKNCSA-N 0 0 343.387 2.955 10 5 EFBERN O=C1Cc2cc(-c3cc([N+](=O)[O-])ccc3CCO)cc3c2N1CCC3 ZINC000596647529 479371394 /nfs/dbraw/zinc/37/13/94/479371394.db2.gz OKNBTVKBMFRNLG-UHFFFAOYSA-N 0 0 338.363 2.632 10 5 EFBERN Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000587416217 479371582 /nfs/dbraw/zinc/37/15/82/479371582.db2.gz SKXRDTLNEXRLPS-CABZTGNLSA-N 0 0 332.278 2.695 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000587404714 479371654 /nfs/dbraw/zinc/37/16/54/479371654.db2.gz FOKWXYNPOKHLGZ-HQJQHLMTSA-N 0 0 336.241 2.526 10 5 EFBERN Cc1cc2c(cc1-c1cc([N+](=O)[O-])ccc1CCO)NC(=O)[C@@H](C)O2 ZINC000596647322 479371743 /nfs/dbraw/zinc/37/17/43/479371743.db2.gz FWFUCAPNJMPQHC-LLVKDONJSA-N 0 0 342.351 2.824 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000587405126 479371817 /nfs/dbraw/zinc/37/18/17/479371817.db2.gz MKHIPWNBQDHNPZ-CPCISQLKSA-N 0 0 336.241 2.526 10 5 EFBERN Nc1cc(NCCCOCCc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000587368678 479372022 /nfs/dbraw/zinc/37/20/22/479372022.db2.gz LHQLQHYGUMYKEC-UHFFFAOYSA-N 0 0 345.399 2.731 10 5 EFBERN CS(=O)(=O)Cc1cccc(CNc2sccc2[N+](=O)[O-])c1 ZINC000611412116 479372062 /nfs/dbraw/zinc/37/20/62/479372062.db2.gz HPKZRBLCLMOYQX-UHFFFAOYSA-N 0 0 326.399 2.813 10 5 EFBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)COCc1ccccc1 ZINC000587439237 479373098 /nfs/dbraw/zinc/37/30/98/479373098.db2.gz JTHQKUWPJARFOO-ZDUSSCGKSA-N 0 0 345.399 2.934 10 5 EFBERN COC(=O)[C@@](C)(NCCc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000599654656 479373046 /nfs/dbraw/zinc/37/30/46/479373046.db2.gz SGZZAZZKOMVUMQ-SFHVURJKSA-N 0 0 343.383 2.519 10 5 EFBERN COC(=O)[C@](C)(NCc1nc(C)c(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000599654607 479373272 /nfs/dbraw/zinc/37/32/72/479373272.db2.gz RWRUORFNBAJJRQ-MRXNPFEDSA-N 0 0 349.412 2.846 10 5 EFBERN CC(=O)c1ccc(N[C@@H]2CCCc3c2ccc(=O)n3C)c([N+](=O)[O-])c1 ZINC000593519931 479374941 /nfs/dbraw/zinc/37/49/41/479374941.db2.gz JCKAPKVXGAPLIO-CQSZACIVSA-N 0 0 341.367 2.986 10 5 EFBERN C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593518982 479375044 /nfs/dbraw/zinc/37/50/44/479375044.db2.gz XFRWXEIGEJEIRR-LLVKDONJSA-N 0 0 343.358 2.999 10 5 EFBERN C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593519238 479375453 /nfs/dbraw/zinc/37/54/53/479375453.db2.gz XQNSZUISRIGCBT-LLVKDONJSA-N 0 0 343.358 2.999 10 5 EFBERN COc1ccc(CC(=O)NCc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000611424564 479376087 /nfs/dbraw/zinc/37/60/87/479376087.db2.gz QYNAENZUCULFRB-UHFFFAOYSA-N 0 0 335.747 2.511 10 5 EFBERN O=C([O-])C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000596658076 479376226 /nfs/dbraw/zinc/37/62/26/479376226.db2.gz PNQHOXPLEKQGDR-UHFFFAOYSA-N 0 0 330.287 2.541 10 5 EFBERN Nc1cc(NC[C@@H]2CCOc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000587973706 479377606 /nfs/dbraw/zinc/37/76/06/479377606.db2.gz VMMDVDKXGATPOS-NSHDSACASA-N 0 0 329.356 2.648 10 5 EFBERN Nc1cc(N2CC[C@H](c3ccccc3F)C2)cc(CO)c1[N+](=O)[O-] ZINC000587972858 479378126 /nfs/dbraw/zinc/37/81/26/479378126.db2.gz FQTVJAGWFMSXIG-NSHDSACASA-N 0 0 331.347 2.802 10 5 EFBERN O=C(NCCc1ccc(CO)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000611428786 479378309 /nfs/dbraw/zinc/37/83/09/479378309.db2.gz PWXPLLUNFRXRME-UHFFFAOYSA-N 0 0 339.351 2.541 10 5 EFBERN Cc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000593531496 479379263 /nfs/dbraw/zinc/37/92/63/479379263.db2.gz UAOZMFPMHAIVML-INIZCTEOSA-N 0 0 347.396 2.728 10 5 EFBERN C[C@H]1CO[C@@H](c2ccccc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587992505 479379900 /nfs/dbraw/zinc/37/99/00/479379900.db2.gz SBNLEOLMLWCOKF-YVEFUNNKSA-N 0 0 343.383 2.636 10 5 EFBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccc(F)cc1 ZINC000587986866 479379989 /nfs/dbraw/zinc/37/99/89/479379989.db2.gz LWZLPODRULISDP-JTQLQIEISA-N 0 0 335.335 2.688 10 5 EFBERN COc1cccc2c1CC[C@@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587998806 479380855 /nfs/dbraw/zinc/38/08/55/479380855.db2.gz FVQXUWUTXKRKFJ-HNNXBMFYSA-N 0 0 329.356 2.777 10 5 EFBERN Nc1cc(N2CC[C@@H](c3ccc(F)cc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587995431 479381001 /nfs/dbraw/zinc/38/10/01/479381001.db2.gz KEXPEQSLDFBXLB-GFCCVEGCSA-N 0 0 331.347 2.802 10 5 EFBERN Nc1cc(NCc2c(F)c(F)cc(F)c2F)cc(CO)c1[N+](=O)[O-] ZINC000587993739 479381512 /nfs/dbraw/zinc/38/15/12/479381512.db2.gz HJUBTNHYMOTAFB-UHFFFAOYSA-N 0 0 345.252 2.838 10 5 EFBERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593539615 479381558 /nfs/dbraw/zinc/38/15/58/479381558.db2.gz YMJQAHJIMVPHAZ-LLVKDONJSA-N 0 0 327.406 2.579 10 5 EFBERN Cc1cccc([C@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)n1 ZINC000588001115 479382204 /nfs/dbraw/zinc/38/22/04/479382204.db2.gz QBJDZEDFEDIFCF-MRXNPFEDSA-N 0 0 328.372 2.714 10 5 EFBERN Nc1cc(N2Cc3ccccc3C(F)(F)C2)cc(CO)c1[N+](=O)[O-] ZINC000588003205 479382216 /nfs/dbraw/zinc/38/22/16/479382216.db2.gz YBERBPMHRCETPK-UHFFFAOYSA-N 0 0 335.310 2.781 10 5 EFBERN CC[C@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542864 479383309 /nfs/dbraw/zinc/38/33/09/479383309.db2.gz KLFDKJPXHJCPKU-WDEREUQCSA-N 0 0 327.406 2.578 10 5 EFBERN C[C@]12CCCC[C@H]1CN2CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599672676 479383611 /nfs/dbraw/zinc/38/36/11/479383611.db2.gz YNGYUCJBDXVNPU-BBRMVZONSA-N 0 0 338.429 2.633 10 5 EFBERN CN(Cc1cc(F)c(F)c(F)c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588012768 479383701 /nfs/dbraw/zinc/38/37/01/479383701.db2.gz HCHDMONSLXOSPW-UHFFFAOYSA-N 0 0 341.289 2.723 10 5 EFBERN CC[C@@H](C)Oc1cc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)ccn1 ZINC000588012745 479383905 /nfs/dbraw/zinc/38/39/05/479383905.db2.gz BNGCKPFQULKZJH-LLVKDONJSA-N 0 0 346.387 2.854 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)nc1 ZINC000593546555 479384454 /nfs/dbraw/zinc/38/44/54/479384454.db2.gz XPPLXGUNLOARIO-UHFFFAOYSA-N 0 0 339.417 2.725 10 5 EFBERN Cc1cccc([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)c1 ZINC000588016437 479384736 /nfs/dbraw/zinc/38/47/36/479384736.db2.gz WXLRQQUMQIMHGT-CQSZACIVSA-N 0 0 327.384 2.972 10 5 EFBERN Cc1ccc([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1 ZINC000588016394 479384984 /nfs/dbraw/zinc/38/49/84/479384984.db2.gz PQONEONWTQSEOO-CQSZACIVSA-N 0 0 327.384 2.972 10 5 EFBERN CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559919 479387021 /nfs/dbraw/zinc/38/70/21/479387021.db2.gz LHDAENDAUDULPS-UHFFFAOYSA-N 0 0 327.406 2.579 10 5 EFBERN Nc1cc(N2CCC=C(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588051568 479387096 /nfs/dbraw/zinc/38/70/96/479387096.db2.gz FNNXZIAKWZJYQX-UHFFFAOYSA-N 0 0 325.368 2.963 10 5 EFBERN Nc1cc(N2CCC(CC(F)(F)F)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588051245 479387185 /nfs/dbraw/zinc/38/71/85/479387185.db2.gz DRDWPNIVLHDNFT-UHFFFAOYSA-N 0 0 333.310 2.838 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588068637 479389563 /nfs/dbraw/zinc/38/95/63/479389563.db2.gz YRLWBEKXXUFWNC-PELKAZGASA-N 0 0 342.277 2.694 10 5 EFBERN CC[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593578967 479392860 /nfs/dbraw/zinc/39/28/60/479392860.db2.gz RMLGIIOWXVBLGM-CQSZACIVSA-N 0 0 347.396 2.515 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2=CCCCCC2)nc1 ZINC000593577697 479392940 /nfs/dbraw/zinc/39/29/40/479392940.db2.gz HKALUYCNJZHHDU-UHFFFAOYSA-N 0 0 325.390 2.549 10 5 EFBERN C[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H]1F ZINC000611494213 479394923 /nfs/dbraw/zinc/39/49/23/479394923.db2.gz HJMCTIDZAFYYGK-WCQYABFASA-N 0 0 346.362 2.744 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000611496664 479395623 /nfs/dbraw/zinc/39/56/23/479395623.db2.gz JGIHMIHOXGYHEJ-NOZJJQNGSA-N 0 0 330.381 2.580 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1F ZINC000611496796 479395638 /nfs/dbraw/zinc/39/56/38/479395638.db2.gz ZETSFWJAANVYAR-LDYMZIIASA-N 0 0 336.772 2.617 10 5 EFBERN C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611496855 479395727 /nfs/dbraw/zinc/39/57/27/479395727.db2.gz AGUHYMVMBWXZTE-WPRPVWTQSA-N 0 0 336.772 2.617 10 5 EFBERN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1F ZINC000611496793 479395742 /nfs/dbraw/zinc/39/57/42/479395742.db2.gz ZETSFWJAANVYAR-GZMMTYOYSA-N 0 0 336.772 2.617 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@H](F)C2)c1C ZINC000611497131 479396341 /nfs/dbraw/zinc/39/63/41/479396341.db2.gz QFCLBWIMZBVLGX-CMPLNLGQSA-N 0 0 330.381 2.580 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](F)C1 ZINC000611501987 479397190 /nfs/dbraw/zinc/39/71/90/479397190.db2.gz LKICOVSKTOVFJG-NTZNESFSSA-N 0 0 339.367 2.610 10 5 EFBERN C[C@@H]1C[C@@H](C(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593595613 479397166 /nfs/dbraw/zinc/39/71/66/479397166.db2.gz IIXAEXVVRUMNMO-NEPJUHHUSA-N 0 0 341.433 2.825 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC2(F)F)cc1C ZINC000588144683 479397909 /nfs/dbraw/zinc/39/79/09/479397909.db2.gz RLDOTAXNJBWGTC-LBPRGKRZSA-N 0 0 334.344 2.678 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599701290 479397800 /nfs/dbraw/zinc/39/78/00/479397800.db2.gz DOOXVUSNXVFGMU-NOZJJQNGSA-N 0 0 325.752 2.937 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCC2(F)F)c1C ZINC000588144397 479398258 /nfs/dbraw/zinc/39/82/58/479398258.db2.gz HYDFLWWRTGDDNM-GFCCVEGCSA-N 0 0 334.344 2.678 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC1(F)F ZINC000588144579 479398393 /nfs/dbraw/zinc/39/83/93/479398393.db2.gz OMKMFZSZXMSUTM-LBPRGKRZSA-N 0 0 334.344 2.623 10 5 EFBERN C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1F ZINC000611507294 479399937 /nfs/dbraw/zinc/39/99/37/479399937.db2.gz ZZICVRCIUJISLP-DGCLKSJQSA-N 0 0 347.346 2.728 10 5 EFBERN COc1cc(CNc2ccc3c(c2)C(=O)NCC3)ccc1[N+](=O)[O-] ZINC000611510527 479400736 /nfs/dbraw/zinc/40/07/36/479400736.db2.gz BDRAJSFYIDPTGN-UHFFFAOYSA-N 0 0 327.340 2.501 10 5 EFBERN COc1cc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000611516255 479402369 /nfs/dbraw/zinc/40/23/69/479402369.db2.gz FQDKBVSYXFSENZ-ZANVPECISA-N 0 0 334.294 2.755 10 5 EFBERN COc1cc(CN(C)CC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000611515371 479402877 /nfs/dbraw/zinc/40/28/77/479402877.db2.gz SUGQPOQTEWESHP-UHFFFAOYSA-N 0 0 349.431 2.826 10 5 EFBERN Nc1cc(N[C@H](CCCO)c2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000611525719 479405420 /nfs/dbraw/zinc/40/54/20/479405420.db2.gz FKVMSBDTUCUHQG-MRXNPFEDSA-N 0 0 331.372 2.595 10 5 EFBERN Nc1cc(N[C@@H](CCCO)c2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000611525718 479405984 /nfs/dbraw/zinc/40/59/84/479405984.db2.gz FKVMSBDTUCUHQG-INIZCTEOSA-N 0 0 331.372 2.595 10 5 EFBERN Nc1cc(N2CCC[C@@H](Nc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525758 479406013 /nfs/dbraw/zinc/40/60/13/479406013.db2.gz KUTMMSFWNJJVKL-OAHLLOKOSA-N 0 0 342.399 2.750 10 5 EFBERN CC(C)c1ccc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000603579441 479407321 /nfs/dbraw/zinc/40/73/21/479407321.db2.gz CJMXFLXDOLDARG-UHFFFAOYSA-N 0 0 328.372 2.867 10 5 EFBERN C[C@H](C(=O)NCC1(CO)CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575127631 479407619 /nfs/dbraw/zinc/40/76/19/479407619.db2.gz ISSUYWLZRIAULB-ZDUSSCGKSA-N 0 0 332.400 2.757 10 5 EFBERN CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1OCC ZINC000603595175 479411386 /nfs/dbraw/zinc/41/13/86/479411386.db2.gz IOXJSNZFNPHHNY-UHFFFAOYSA-N 0 0 346.343 2.630 10 5 EFBERN CC(C)[C@H]1c2ccccc2CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611543810 479411454 /nfs/dbraw/zinc/41/14/54/479411454.db2.gz ZQEKUFSSQRQZOD-INIZCTEOSA-N 0 0 328.372 2.724 10 5 EFBERN COC(=O)c1oc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000599746022 479412366 /nfs/dbraw/zinc/41/23/66/479412366.db2.gz ZBCDZKCUMRNBIY-SNVBAGLBSA-N 0 0 332.312 2.774 10 5 EFBERN O=C(NCC1(C(F)(F)F)CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599766903 479419572 /nfs/dbraw/zinc/41/95/72/479419572.db2.gz QXBHPNZPEDXKQS-UHFFFAOYSA-N 0 0 332.282 2.656 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000611577317 479421672 /nfs/dbraw/zinc/42/16/72/479421672.db2.gz HTSNIOITUZBWQQ-WDEREUQCSA-N 0 0 343.330 2.625 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611577313 479422390 /nfs/dbraw/zinc/42/23/90/479422390.db2.gz HTSNIOITUZBWQQ-MNOVXSKESA-N 0 0 343.330 2.625 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CCF)C1 ZINC000599779638 479423051 /nfs/dbraw/zinc/42/30/51/479423051.db2.gz OJQIEFFXHYUYBR-LBPRGKRZSA-N 0 0 325.340 2.804 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](OC(F)F)C1 ZINC000611579637 479423310 /nfs/dbraw/zinc/42/33/10/479423310.db2.gz MNIUZUYVCWCDOU-GFCCVEGCSA-N 0 0 343.330 2.545 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](OC(F)F)C1 ZINC000611579638 479423335 /nfs/dbraw/zinc/42/33/35/479423335.db2.gz MNIUZUYVCWCDOU-LBPRGKRZSA-N 0 0 343.330 2.545 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000596776762 479423842 /nfs/dbraw/zinc/42/38/42/479423842.db2.gz NUEPATRRYIUVHN-HNNXBMFYSA-N 0 0 348.399 2.921 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599790247 479426643 /nfs/dbraw/zinc/42/66/43/479426643.db2.gz DBQHFRBSISVSNT-SUMWQHHRSA-N 0 0 333.388 2.838 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CCF)C1 ZINC000599790378 479426817 /nfs/dbraw/zinc/42/68/17/479426817.db2.gz OPEBWVYHZKXPKR-LBPRGKRZSA-N 0 0 341.339 2.586 10 5 EFBERN CCOc1ccc([C@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000611597417 479429064 /nfs/dbraw/zinc/42/90/64/479429064.db2.gz AESSSZSTUDTFRA-NSHDSACASA-N 0 0 330.344 2.693 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](CNC(=O)C(C)C)C2)n1 ZINC000611615796 479429851 /nfs/dbraw/zinc/42/98/51/479429851.db2.gz ACADRROBNXZSAA-CQSZACIVSA-N 0 0 334.420 2.595 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccsc3)CC2)n1 ZINC000611616975 479430568 /nfs/dbraw/zinc/43/05/68/479430568.db2.gz ZIVGBJHELLGQFM-UHFFFAOYSA-N 0 0 346.412 2.631 10 5 EFBERN Cc1c(CNC(=O)N[C@H]2CNc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000593708226 479430729 /nfs/dbraw/zinc/43/07/29/479430729.db2.gz PWHVIMBWKMOXGM-OAHLLOKOSA-N 0 0 340.383 2.739 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN([C@@H](C)c3cccnc3)CC2)n1 ZINC000611616419 479430777 /nfs/dbraw/zinc/43/07/77/479430777.db2.gz NFFZKBSFDWKKGM-HNNXBMFYSA-N 0 0 341.415 2.885 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC(=O)N(C)C2CCCCC2)n1 ZINC000611616314 479430838 /nfs/dbraw/zinc/43/08/38/479430838.db2.gz HOEFXPVWJCXESX-UHFFFAOYSA-N 0 0 334.420 2.834 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN([C@H](C)C(F)(F)F)CC2)n1 ZINC000611616997 479430878 /nfs/dbraw/zinc/43/08/78/479430878.db2.gz ULFRUJXBWBLZNX-LLVKDONJSA-N 0 0 332.326 2.679 10 5 EFBERN O=C(NCc1ccccc1)C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603842805 479435903 /nfs/dbraw/zinc/43/59/03/479435903.db2.gz HJAIDZLXAAUOJN-UHFFFAOYSA-N 0 0 340.383 2.523 10 5 EFBERN C[C@H](Cc1ccco1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596813734 479437326 /nfs/dbraw/zinc/43/73/26/479437326.db2.gz OHNNSZRALDHLFE-CQSZACIVSA-N 0 0 343.383 2.715 10 5 EFBERN 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EFBERN COC1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599833813 479444844 /nfs/dbraw/zinc/44/48/44/479444844.db2.gz YRSADJPWNYESPN-UHFFFAOYSA-N 0 0 330.344 2.834 10 5 EFBERN C/C=C\C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833635 479444890 /nfs/dbraw/zinc/44/48/90/479444890.db2.gz VZBSQZBOEXQNAS-QUCGXOGASA-N 0 0 330.344 2.592 10 5 EFBERN CCOC(=O)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832419 479444948 /nfs/dbraw/zinc/44/49/48/479444948.db2.gz ZDBXUBSGYAERLQ-JTQLQIEISA-N 0 0 346.343 2.606 10 5 EFBERN CC(C)[C@H](CO)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834798 479445376 /nfs/dbraw/zinc/44/53/76/479445376.db2.gz HRMVBZWLNRPKJE-NSHDSACASA-N 0 0 332.360 2.529 10 5 EFBERN O=C(NCCCOC(F)F)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835240 479445518 /nfs/dbraw/zinc/44/55/18/479445518.db2.gz KRBCWBRUQDDLJU-UHFFFAOYSA-N 0 0 340.286 2.894 10 5 EFBERN C[C@H]1COCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835231 479445699 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COC(=O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000177379656 523378766 /nfs/dbraw/zinc/37/87/66/523378766.db2.gz NBAYLVJDOHRTLN-UHFFFAOYSA-N 0 0 328.324 2.871 10 5 EFBERN CC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccs1 ZINC000151452139 523490937 /nfs/dbraw/zinc/49/09/37/523490937.db2.gz WWZZDABZOHVWJZ-NSHDSACASA-N 0 0 347.443 2.717 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H](C)c2c(F)cccc2OC)c1[N+](=O)[O-] ZINC000174371629 523670825 /nfs/dbraw/zinc/67/08/25/523670825.db2.gz ALIFKNXDQYFHMM-MRVPVSSYSA-N 0 0 336.323 2.519 10 5 EFBERN COc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000177085511 523701127 /nfs/dbraw/zinc/70/11/27/523701127.db2.gz GQUPTKYHXQBRLY-UHFFFAOYSA-N 0 0 336.294 2.854 10 5 EFBERN COc1ccc(C(=O)Nc2ccccc2N(C)C(C)=O)cc1[N+](=O)[O-] ZINC000118262162 523759450 /nfs/dbraw/zinc/75/94/50/523759450.db2.gz CGVYQFUYBVDPJM-UHFFFAOYSA-N 0 0 343.339 2.838 10 5 EFBERN CN(C(=O)Cn1ccc(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000076711042 523856005 /nfs/dbraw/zinc/85/60/05/523856005.db2.gz QYNPUPIWZXPYOG-UHFFFAOYSA-N 0 0 337.335 2.573 10 5 EFBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(F)cc1 ZINC000174523367 523948282 /nfs/dbraw/zinc/94/82/82/523948282.db2.gz AAUJXNANHCXMDK-OAHLLOKOSA-N 0 0 333.319 2.555 10 5 EFBERN CN1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc21 ZINC000193636740 523981791 /nfs/dbraw/zinc/98/17/91/523981791.db2.gz PPXMLVFPUBBMTC-CYBMUJFWSA-N 0 0 340.383 2.729 10 5 EFBERN CO[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000191644845 524000686 /nfs/dbraw/zinc/00/06/86/524000686.db2.gz AACPWPXKPVECOP-SCZZXKLOSA-N 0 0 343.177 2.655 10 5 EFBERN COc1ccc(CN2CCO[C@@H](c3nc(C)cs3)C2)cc1[N+](=O)[O-] ZINC000157057613 524035484 /nfs/dbraw/zinc/03/54/84/524035484.db2.gz NURBKNKBXYCGHT-OAHLLOKOSA-N 0 0 349.412 2.942 10 5 EFBERN Cc1cccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1[N+](=O)[O-] ZINC000135745081 524181005 /nfs/dbraw/zinc/18/10/05/524181005.db2.gz BBMTVQYLAAKRBW-CQSZACIVSA-N 0 0 327.340 2.592 10 5 EFBERN COc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)CC2 ZINC000193775111 524209150 /nfs/dbraw/zinc/20/91/50/524209150.db2.gz PYABQTFMJXVMIQ-UHFFFAOYSA-N 0 0 341.367 2.548 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000179876441 524335020 /nfs/dbraw/zinc/33/50/20/524335020.db2.gz RZDYGUOGNRSTQU-YJBOKZPZSA-N 0 0 340.379 2.908 10 5 EFBERN Cc1ccc(CN(C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000067374801 524398274 /nfs/dbraw/zinc/39/82/74/524398274.db2.gz AISHWHYWXBTADK-MRXNPFEDSA-N 0 0 329.356 2.734 10 5 EFBERN COc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000070704249 524598699 /nfs/dbraw/zinc/59/86/99/524598699.db2.gz CALDBAOICXYEQN-LBPRGKRZSA-N 0 0 328.324 2.793 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000194932716 524901641 /nfs/dbraw/zinc/90/16/41/524901641.db2.gz YEAQSRHRBGHXKQ-UHFFFAOYSA-N 0 0 342.399 2.732 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCCOc1ccc(F)cc1F ZINC000194610564 524905059 /nfs/dbraw/zinc/90/50/59/524905059.db2.gz KQIPQYBXLXAQTL-UHFFFAOYSA-N 0 0 336.294 2.990 10 5 EFBERN COc1ccc(OCCOc2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000151030800 524964162 /nfs/dbraw/zinc/96/41/62/524964162.db2.gz VOJUEQBGCUXPRJ-UHFFFAOYSA-N 0 0 337.332 2.742 10 5 EFBERN COc1ccc(S(=O)(=O)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000112706309 525053133 /nfs/dbraw/zinc/05/31/33/525053133.db2.gz QGOFXXTXHLPQTE-VMPITWQZSA-N 0 0 348.380 2.595 10 5 EFBERN Cc1ccccc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242079 525130778 /nfs/dbraw/zinc/13/07/78/525130778.db2.gz DBTDXOVPGUGCKG-UHFFFAOYSA-N 0 0 326.399 2.785 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000120442859 525136449 /nfs/dbraw/zinc/13/64/49/525136449.db2.gz UJPJTGDEKMLNCH-MLGOLLRUSA-N 0 0 326.352 2.818 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1-n1cccn1 ZINC000153534564 525221906 /nfs/dbraw/zinc/22/19/06/525221906.db2.gz SUQBJBWJOHIOMT-NSHDSACASA-N 0 0 326.312 2.865 10 5 EFBERN COc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)cc1 ZINC000194787507 525253528 /nfs/dbraw/zinc/25/35/28/525253528.db2.gz VLLCHUZWKDJCBC-CQSZACIVSA-N 0 0 341.367 2.937 10 5 EFBERN Cc1ccccc1O[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000172878346 525321391 /nfs/dbraw/zinc/32/13/91/525321391.db2.gz CHWFEWJFHDWBOK-LBPRGKRZSA-N 0 0 329.356 2.804 10 5 EFBERN COc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000119757583 525323532 /nfs/dbraw/zinc/32/35/32/525323532.db2.gz MEJCVLJRTDUZAW-JTQLQIEISA-N 0 0 347.346 2.692 10 5 EFBERN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000177714090 525378169 /nfs/dbraw/zinc/37/81/69/525378169.db2.gz POULLYOWCJFDAU-SNVBAGLBSA-N 0 0 343.368 2.728 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000120356687 525448043 /nfs/dbraw/zinc/44/80/43/525448043.db2.gz VGQPVKDWFXMGOO-XHDPSFHLSA-N 0 0 342.351 2.898 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C(C)C ZINC000117371414 525472881 /nfs/dbraw/zinc/47/28/81/525472881.db2.gz QLLCJCTUNYGAGB-ZDUSSCGKSA-N 0 0 342.417 2.803 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC12CCCCC2 ZINC000179994577 525474142 /nfs/dbraw/zinc/47/41/42/525474142.db2.gz JWGCOXCLHUMEBY-CQSZACIVSA-N 0 0 340.401 2.605 10 5 EFBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000066327368 525508581 /nfs/dbraw/zinc/50/85/81/525508581.db2.gz JHWIHZAPRHQBIW-ZETCQYMHSA-N 0 0 348.352 2.974 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nncn2C)cc1 ZINC000154068427 525563763 /nfs/dbraw/zinc/56/37/63/525563763.db2.gz KUSRROIRFVBOJS-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000156088655 525569122 /nfs/dbraw/zinc/56/91/22/525569122.db2.gz ZSDRMTQALXDWON-HNNXBMFYSA-N 0 0 342.355 2.983 10 5 EFBERN Cc1c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000079314354 525587433 /nfs/dbraw/zinc/58/74/33/525587433.db2.gz ZRPJGGHTBGBFER-UKRRQHHQSA-N 0 0 349.343 2.595 10 5 EFBERN Cc1ccnc2c1NC(=O)CN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000180870836 525715708 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EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135777718 526071970 /nfs/dbraw/zinc/07/19/70/526071970.db2.gz ZNWBCIVKSCSTKW-OAHLLOKOSA-N 0 0 327.340 2.592 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000089201665 526074514 /nfs/dbraw/zinc/07/45/14/526074514.db2.gz DTWNXYJSNKDJTH-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000177640889 526077705 /nfs/dbraw/zinc/07/77/05/526077705.db2.gz JVJIHGBWAZZPSC-GFCCVEGCSA-N 0 0 347.346 2.846 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067877541 526087502 /nfs/dbraw/zinc/08/75/02/526087502.db2.gz BABPEGDQOSBWBT-HUUCEWRRSA-N 0 0 332.381 2.738 10 5 EFBERN CSc1cccc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1[N+](=O)[O-] ZINC000188237081 526089727 /nfs/dbraw/zinc/08/97/27/526089727.db2.gz HSBFQYRCPGEXSR-VIFPVBQESA-N 0 0 334.401 2.709 10 5 EFBERN CC(C)CCSc1ccc(C(=O)N[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000425063555 534909224 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Cc1nnc([C@H]2CN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)[nH]1 ZINC000180112260 526536388 /nfs/dbraw/zinc/53/63/88/526536388.db2.gz RFLPSDAUFVUDSI-MRXNPFEDSA-N 0 0 345.403 2.718 10 5 EFBERN CC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176947104 526567670 /nfs/dbraw/zinc/56/76/70/526567670.db2.gz DRGBFTCHCPDDGN-SWLSCSKDSA-N 0 0 334.372 2.766 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177816679 526607220 /nfs/dbraw/zinc/60/72/20/526607220.db2.gz WNVDLVZEGSUNQS-CYBMUJFWSA-N 0 0 334.763 2.750 10 5 EFBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000151543725 526674525 /nfs/dbraw/zinc/67/45/25/526674525.db2.gz IDDLGMLGYVWYQT-ZDUSSCGKSA-N 0 0 347.758 2.937 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000074099904 526715479 /nfs/dbraw/zinc/71/54/79/526715479.db2.gz OEUOXRGJWTZPAQ-MRXNPFEDSA-N 0 0 327.340 2.816 10 5 EFBERN Cc1nc(C)c(CNc2ncc(Br)cc2[N+](=O)[O-])o1 ZINC000253393839 526725903 /nfs/dbraw/zinc/72/59/03/526725903.db2.gz UOZKHHBCNHDXSE-UHFFFAOYSA-N 0 0 327.138 2.969 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000074099045 526778204 /nfs/dbraw/zinc/77/82/04/526778204.db2.gz JLESWEKYGDBWKQ-MRXNPFEDSA-N 0 0 327.340 2.816 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135381637 526811378 /nfs/dbraw/zinc/81/13/78/526811378.db2.gz ZHSOIFWAXGVTQK-INIZCTEOSA-N 0 0 328.324 2.514 10 5 EFBERN O=C(N[C@@H](CO)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182584837 526862487 /nfs/dbraw/zinc/86/24/87/526862487.db2.gz XWYAGGHPMKKZPB-INIZCTEOSA-N 0 0 325.324 2.540 10 5 EFBERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[N+](=O)[O-] ZINC000137372993 526929145 /nfs/dbraw/zinc/92/91/45/526929145.db2.gz PBHCYHLVRCLNIY-LLVKDONJSA-N 0 0 346.774 2.652 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)NCc1ccco1 ZINC000067650057 526968507 /nfs/dbraw/zinc/96/85/07/526968507.db2.gz UAEBANPFAKDDNS-UHFFFAOYSA-N 0 0 344.245 2.902 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCC[C@@H]3CCCC[C@@H]3O)cc2N1 ZINC000154522490 527013286 /nfs/dbraw/zinc/01/32/86/527013286.db2.gz QYQKINDQSIABTO-NHYWBVRUSA-N 0 0 349.387 2.669 10 5 EFBERN NC(=O)[C@H]1Cc2ccccc2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000119761663 527015539 /nfs/dbraw/zinc/01/55/39/527015539.db2.gz HEKULHXCERYSSD-QKYXPGDISA-N 0 0 337.379 2.520 10 5 EFBERN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[N+](=O)[O-] ZINC000088250873 527047344 /nfs/dbraw/zinc/04/73/44/527047344.db2.gz VFBODMZFHMCGGX-NSHDSACASA-N 0 0 347.321 2.882 10 5 EFBERN Cc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000057796539 527071545 /nfs/dbraw/zinc/07/15/45/527071545.db2.gz DUNFHFZMAOGNBT-OAHLLOKOSA-N 0 0 337.339 2.541 10 5 EFBERN O=C(Nc1c[nH]nc1-c1ccccn1)c1ccc([N+](=O)[O-])cc1F ZINC000155517449 527096823 /nfs/dbraw/zinc/09/68/23/527096823.db2.gz HLPQRCPGZDCUCH-UHFFFAOYSA-N 0 0 327.275 2.771 10 5 EFBERN O=C(C[C@@H]1COCCN1Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000158167336 527132686 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CCN(CC)C(=O)COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000923593234 1261962160 /nfs/dbraw/zinc/96/21/60/1261962160.db2.gz LUERTFYNFIGSAM-UHFFFAOYSA-N 0 0 342.779 2.592 10 5 EFBERN CCOC(=O)/C(=C/c1cnn2ccccc12)c1ccc([N+](=O)[O-])cn1 ZINC000791428996 1278120260 /nfs/dbraw/zinc/12/02/60/1278120260.db2.gz YIMCZDRAQJBXHS-NTEUORMPSA-N 0 0 338.323 2.741 10 5 EFBERN C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000921837043 1262216697 /nfs/dbraw/zinc/21/66/97/1262216697.db2.gz MYMLVONKQSCTMU-NSHDSACASA-N 0 0 341.795 2.611 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922647786 1266510877 /nfs/dbraw/zinc/51/08/77/1266510877.db2.gz SDMDBDJFLUEJFL-CABZTGNLSA-N 0 0 349.261 2.870 10 5 EFBERN CC[C@H](C)NC(=O)COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000923593497 1263130047 /nfs/dbraw/zinc/13/00/47/1263130047.db2.gz SSVNXBMGCQWSNQ-JTQLQIEISA-N 0 0 342.779 2.639 10 5 EFBERN Cc1c([C@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cnn1C ZINC001118927842 1263225825 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O=C(OCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)C1CCOCC1 ZINC000791601269 1278208777 /nfs/dbraw/zinc/20/87/77/1278208777.db2.gz CRVNPTVRCRKEOZ-UHFFFAOYSA-N 0 0 345.298 2.579 10 5 EFBERN COc1cc(COC(=O)C(F)(F)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000791601621 1278210431 /nfs/dbraw/zinc/21/04/31/1278210431.db2.gz FZOJEHLWQRIOHR-UHFFFAOYSA-N 0 0 345.298 2.709 10 5 EFBERN C[C@@H]1CC[C@H](CO)N1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000922010195 1264109479 /nfs/dbraw/zinc/10/94/79/1264109479.db2.gz RCIXCPCYBQNJSF-TZMCWYRMSA-N 0 0 336.391 2.667 10 5 EFBERN Cc1ccc(Br)cc1C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001128322036 1264316639 /nfs/dbraw/zinc/31/66/39/1264316639.db2.gz UPZVJJHOZWUEQO-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)cn2n1 ZINC001128330661 1264346019 /nfs/dbraw/zinc/34/60/19/1264346019.db2.gz OSQDNPBKKIGUFE-LSDHHAIUSA-N 0 0 337.339 2.688 10 5 EFBERN Cc1cc(C)n2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)c2n1 ZINC001128351154 1264439485 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349.261 2.870 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922205300 1264916535 /nfs/dbraw/zinc/91/65/35/1264916535.db2.gz IPQTZXJDDWTNRK-JOYOIKCWSA-N 0 0 349.261 2.870 10 5 EFBERN O=C(Nc1ccc2c(n1)CCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001272995711 1265001032 /nfs/dbraw/zinc/00/10/32/1265001032.db2.gz INOLPBQXWVMEAN-UHFFFAOYSA-N 0 0 349.350 2.917 10 5 EFBERN O=C(NCc1ccc(=O)[nH]c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001136921530 1278243864 /nfs/dbraw/zinc/24/38/64/1278243864.db2.gz HCFXMDKPUMWPGU-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN O=C(OC[C@@H]1CCC2(COC2)O1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000922264663 1265159639 /nfs/dbraw/zinc/15/96/39/1265159639.db2.gz HMWLTMPWKDSBLI-LBPRGKRZSA-N 0 0 349.364 2.914 10 5 EFBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000923994790 1265373145 /nfs/dbraw/zinc/37/31/45/1265373145.db2.gz DVIWMWBLCDYUIN-DTORHVGOSA-N 0 0 330.768 2.822 10 5 EFBERN CN(Cc1ccccc1Br)c1nn(C)cc1[N+](=O)[O-] ZINC001161951681 1266837055 /nfs/dbraw/zinc/83/70/55/1266837055.db2.gz BNEVCYIFTFMGNK-UHFFFAOYSA-N 0 0 325.166 2.727 10 5 EFBERN CC(C)COCCC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791716303 1278292380 /nfs/dbraw/zinc/29/23/80/1278292380.db2.gz JZOSYWDJKFNYBO-UHFFFAOYSA-N 0 0 326.305 2.609 10 5 EFBERN Cc1c(COC(=O)c2cccc(-n3cncn3)c2)cccc1[N+](=O)[O-] ZINC000734618107 1267037619 /nfs/dbraw/zinc/03/76/19/1267037619.db2.gz MKERJEATVPGFFG-UHFFFAOYSA-N 0 0 338.323 2.841 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1[C@H](C)CCC[C@H]1C ZINC000735080542 1267199075 /nfs/dbraw/zinc/19/90/75/1267199075.db2.gz IYGAGYKFAUGICI-GHMZBOCLSA-N 0 0 342.417 2.706 10 5 EFBERN C[C@@H](CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)n1cccc1 ZINC000735139103 1267209126 /nfs/dbraw/zinc/20/91/26/1267209126.db2.gz PMUJYZMLBLAZCX-LBPRGKRZSA-N 0 0 331.328 2.529 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000735208334 1267231067 /nfs/dbraw/zinc/23/10/67/1267231067.db2.gz ONGZQRKTWZZVAU-UHFFFAOYSA-N 0 0 346.318 2.886 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc2n(n1)CCCC2 ZINC000826560132 1267245992 /nfs/dbraw/zinc/24/59/92/1267245992.db2.gz RKWRDPVHBDMHGE-SNVBAGLBSA-N 0 0 332.335 2.758 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000735487683 1267327935 /nfs/dbraw/zinc/32/79/35/1267327935.db2.gz VBIRFEKYENFCMI-VXGBXAGGSA-N 0 0 336.392 2.824 10 5 EFBERN Cc1cc(C)n([C@@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000791777138 1278323218 /nfs/dbraw/zinc/32/32/18/1278323218.db2.gz HQTMJXSRYKYKSQ-NSHDSACASA-N 0 0 348.315 2.621 10 5 EFBERN CNC(=O)c1cc(C)ccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001136950675 1278324979 /nfs/dbraw/zinc/32/49/79/1278324979.db2.gz NCTRDXFCPDDJRT-UHFFFAOYSA-N 0 0 345.330 2.583 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC001136960472 1278350907 /nfs/dbraw/zinc/35/09/07/1278350907.db2.gz WMCZIJQPIVPSEY-JTQLQIEISA-N 0 0 329.312 2.519 10 5 EFBERN CC[C@H](C)N(OC)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000866977662 1268120993 /nfs/dbraw/zinc/12/09/93/1268120993.db2.gz HBCDRMAJVQMIID-VIFPVBQESA-N 0 0 336.797 2.907 10 5 EFBERN Cc1cnc(COC(=O)C(F)(F)C2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000791891474 1278412370 /nfs/dbraw/zinc/41/23/70/1278412370.db2.gz NCHVSMBSVGBQMW-UHFFFAOYSA-N 0 0 344.314 2.712 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825123863 1278419660 /nfs/dbraw/zinc/41/96/60/1278419660.db2.gz DSWBXPXVOBWKJP-UFBFGSQYSA-N 0 0 338.713 2.993 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOC[C@@H]1C(F)(F)F ZINC000739590971 1268707597 /nfs/dbraw/zinc/70/75/97/1268707597.db2.gz ROKMUQIIPNBGGX-SNVBAGLBSA-N 0 0 338.669 2.652 10 5 EFBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccnc(N2CCCCC2)n1 ZINC000740317481 1268907801 /nfs/dbraw/zinc/90/78/01/1268907801.db2.gz XHEZWKONYJEBHB-UHFFFAOYSA-N 0 0 348.384 2.794 10 5 EFBERN COC(=O)c1ccc(C)c(COC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001128602171 1268929991 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Cn1ncnc1-c1cccc(OC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001128656209 1269117246 /nfs/dbraw/zinc/11/72/46/1269117246.db2.gz UAASKVVYCUYFJQ-UHFFFAOYSA-N 0 0 342.286 2.749 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCOCc2ccccc21 ZINC001128658504 1269170555 /nfs/dbraw/zinc/17/05/55/1269170555.db2.gz FZLSBPVCRBUGFJ-UHFFFAOYSA-N 0 0 330.315 2.840 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCC(F)(F)F ZINC001137005690 1278468349 /nfs/dbraw/zinc/46/83/49/1278468349.db2.gz QHQCITNJMHOONB-UHFFFAOYSA-N 0 0 343.261 2.590 10 5 EFBERN CC(C)(C)OC(=O)CSCC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000741170195 1269374854 /nfs/dbraw/zinc/37/48/54/1269374854.db2.gz DQCNXKJKBYEXRP-UHFFFAOYSA-N 0 0 327.358 2.575 10 5 EFBERN O=[N+]([O-])c1ccc(NNC(=S)N[C@@H]2CCOc3ccccc32)cc1 ZINC000741476247 1269542359 /nfs/dbraw/zinc/54/23/59/1269542359.db2.gz LHFAHRLLLYHAGA-CQSZACIVSA-N 0 0 344.396 2.910 10 5 EFBERN CCOc1cccnc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791994589 1278495081 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330.384 2.665 10 5 EFBERN CC[C@H](C[C@@H](C)CO)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000743460202 1270588170 /nfs/dbraw/zinc/58/81/70/1270588170.db2.gz CVVLDVZYORTGJS-JDQXGDOCSA-N 0 0 336.388 2.990 10 5 EFBERN CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000743543570 1270625619 /nfs/dbraw/zinc/62/56/19/1270625619.db2.gz SMBWQSAMUWXEAU-GFCCVEGCSA-N 0 0 346.387 2.718 10 5 EFBERN CCCN(CCc1ccccn1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825511648 1278579604 /nfs/dbraw/zinc/57/96/04/1278579604.db2.gz YUMHXQSAVZLJGL-KRWDZBQOSA-N 0 0 343.383 2.505 10 5 EFBERN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1csc(Cl)n1 ZINC000792156745 1278591774 /nfs/dbraw/zinc/59/17/74/1278591774.db2.gz FTQJGISSRBXETD-UHFFFAOYSA-N 0 0 343.704 2.970 10 5 EFBERN CN(CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)CC(F)(F)F ZINC000744153677 1270908129 /nfs/dbraw/zinc/90/81/29/1270908129.db2.gz GJIMWOGZIUTSRU-UHFFFAOYSA-N 0 0 345.277 2.727 10 5 EFBERN COc1ccc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cn1 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1284563118 /nfs/dbraw/zinc/56/31/18/1284563118.db2.gz DLIHGVBWBHTFAJ-UHFFFAOYSA-N 0 0 328.307 2.509 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001133006158 1284644928 /nfs/dbraw/zinc/64/49/28/1284644928.db2.gz CRJIWGQSWBUMEC-QGZVFWFLSA-N 0 0 328.372 2.947 10 5 EFBERN O=[N+]([O-])c1ccccc1OCCN1CCS[C@@H](C(F)(F)F)C1 ZINC001176175532 1287727979 /nfs/dbraw/zinc/72/79/79/1287727979.db2.gz MVQZHQAXTUPXJW-GFCCVEGCSA-N 0 0 336.335 2.953 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ncc(Cl)s2)c1 ZINC001133152768 1284882209 /nfs/dbraw/zinc/88/22/09/1284882209.db2.gz GWTSCBJAVBYGFN-UHFFFAOYSA-N 0 0 327.749 2.643 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cnc1C ZINC001135201108 1287749202 /nfs/dbraw/zinc/74/92/02/1287749202.db2.gz LLDQUMGFFLLVNV-UHFFFAOYSA-N 0 0 347.302 2.785 10 5 EFBERN CC1(C)C[C@@]1(C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001133225936 1285010239 /nfs/dbraw/zinc/01/02/39/1285010239.db2.gz ZDNXPHMPVQNRKP-KRWDZBQOSA-N 0 0 328.372 2.947 10 5 EFBERN Cc1cc(N2CCO[C@H](c3noc(C4CC4)n3)C2)c(F)cc1[N+](=O)[O-] ZINC000812457072 1285154371 /nfs/dbraw/zinc/15/43/71/1285154371.db2.gz BXPITSLUDGDIMK-AWEZNQCLSA-N 0 0 348.334 2.881 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000812485052 1285199725 /nfs/dbraw/zinc/19/97/25/1285199725.db2.gz UDKPOLHUYNAVBG-GOSISDBHSA-N 0 0 346.358 2.883 10 5 EFBERN COC(=O)c1cc(C)c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001133344150 1285226221 /nfs/dbraw/zinc/22/62/21/1285226221.db2.gz OSQFKLOPZHVNDP-SNVBAGLBSA-N 0 0 332.312 2.774 10 5 EFBERN O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1CCCN1CC(F)(F)F ZINC000812687985 1285350590 /nfs/dbraw/zinc/35/05/90/1285350590.db2.gz QVWNSNZZTJJGAW-VIFPVBQESA-N 0 0 338.307 2.726 10 5 EFBERN CC(C)(CCc1noc([C@@H]2CCCN2c2nccs2)n1)[N+](=O)[O-] ZINC000812815679 1285428083 /nfs/dbraw/zinc/42/80/83/1285428083.db2.gz VJOATASMHQWCEW-JTQLQIEISA-N 0 0 337.405 2.856 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C ZINC001133518928 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EFBERN C[C@H](COC(=O)COc1ccccc1OCc1ccccc1)[N+](=O)[O-] ZINC000813102294 1285654671 /nfs/dbraw/zinc/65/46/71/1285654671.db2.gz DIYGAWMLUINODN-CQSZACIVSA-N 0 0 345.351 2.853 10 5 EFBERN COC[C@H](C)[C@H](C)C(=O)OCCOc1ccc([N+](=O)[O-])cc1C ZINC000813083199 1285663023 /nfs/dbraw/zinc/66/30/23/1285663023.db2.gz KIVGAJYFPSJWKV-STQMWFEESA-N 0 0 325.361 2.744 10 5 EFBERN COC[C@@H](C)[C@H](C)C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000813087944 1285664329 /nfs/dbraw/zinc/66/43/29/1285664329.db2.gz FEDSJFROLAJZLC-WWGRRREGSA-N 0 0 336.388 2.635 10 5 EFBERN C[C@H](CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C(C)(C)C ZINC001133598803 1285666365 /nfs/dbraw/zinc/66/63/65/1285666365.db2.gz OATGIMYBKCGGIZ-LLVKDONJSA-N 0 0 331.376 2.588 10 5 EFBERN CC(=O)c1cc(COC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000813136571 1285670652 /nfs/dbraw/zinc/67/06/52/1285670652.db2.gz PIDGCYMEFIOQEW-JXMROGBWSA-N 0 0 330.296 2.932 10 5 EFBERN C[C@H](COC(=O)Cn1c2ccccc2nc1SC(F)F)[N+](=O)[O-] ZINC000813105417 1285676420 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O=C(CC[C@H]1CCOC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170693 1285702141 /nfs/dbraw/zinc/70/21/41/1285702141.db2.gz UOMPPOWTLAZKEG-YOEHRIQHSA-N 0 0 348.399 2.529 10 5 EFBERN CC[C@H](SC)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172412 1285703059 /nfs/dbraw/zinc/70/30/59/1285703059.db2.gz HGRYLUCHPTVJLR-GJZGRUSLSA-N 0 0 338.429 2.854 10 5 EFBERN COC(C)(C)CC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171361 1285703110 /nfs/dbraw/zinc/70/31/10/1285703110.db2.gz IXRXEVCWDOAZMR-HNNXBMFYSA-N 0 0 336.388 2.527 10 5 EFBERN O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@@H]1C(F)F ZINC000813171341 1285703879 /nfs/dbraw/zinc/70/38/79/1285703879.db2.gz UPEXBKUHWXCBEH-IHRRRGAJSA-N 0 0 340.326 2.614 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](c2ccccc2)C(F)F)n1 ZINC000813175812 1285704850 /nfs/dbraw/zinc/70/48/50/1285704850.db2.gz AHIDUZORMSCEHL-GFCCVEGCSA-N 0 0 325.271 2.974 10 5 EFBERN CCOC(=O)C1(COC(=O)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000813149197 1285707949 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10 5 EFBERN COCC[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001176921841 1288174007 /nfs/dbraw/zinc/17/40/07/1288174007.db2.gz SYOCQJQQBJWUHK-CQSZACIVSA-N 0 0 330.388 2.822 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@@H](c3ccccn3)C2)c(N)c([N+](=O)[O-])c1 ZINC000816750296 1288262877 /nfs/dbraw/zinc/26/28/77/1288262877.db2.gz KZYDEDGORQBCDC-CYBMUJFWSA-N 0 0 340.383 2.900 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2c(n1)CCCC2 ZINC001177105745 1288274371 /nfs/dbraw/zinc/27/43/71/1288274371.db2.gz RYVMQEIIWXALIC-UHFFFAOYSA-N 0 0 326.356 2.919 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NOc2ccccc2F)cc1[N+](=O)[O-] ZINC001177109889 1288275595 /nfs/dbraw/zinc/27/55/95/1288275595.db2.gz UUEBQXQLLIJVMW-UHFFFAOYSA-N 0 0 335.247 2.674 10 5 EFBERN Cc1cc(C(=O)N[C@@]2(c3ccccc3)C[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC001177167262 1288278333 /nfs/dbraw/zinc/27/83/33/1288278333.db2.gz OAXCHXWCDPNIBG-MAEOIBBWSA-N 0 0 326.352 2.683 10 5 EFBERN Cc1cc(C)c(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c(=O)[nH]1 ZINC000816824940 1288291191 /nfs/dbraw/zinc/29/11/91/1288291191.db2.gz PDCAKQPICYPRNN-UHFFFAOYSA-N 0 0 335.747 2.896 10 5 EFBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc2cccnc21 ZINC000816827230 1288291275 /nfs/dbraw/zinc/29/12/75/1288291275.db2.gz JIJDPNDCSWIVFS-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001177253610 1288351484 /nfs/dbraw/zinc/35/14/84/1288351484.db2.gz ZETIEWNRIYJXMJ-HOTGVXAUSA-N 0 0 332.331 2.976 10 5 EFBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1NC)[C@H](O)c1ccccc1 ZINC001177252255 1288352248 /nfs/dbraw/zinc/35/22/48/1288352248.db2.gz MOHZNFQOCQLYBS-WMLDXEAASA-N 0 0 343.383 2.879 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001177399282 1288419269 /nfs/dbraw/zinc/41/92/69/1288419269.db2.gz RTEWKVFZKCPIHE-SWLSCSKDSA-N 0 0 338.791 2.818 10 5 EFBERN CC[C@H]1C[C@H](Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CCO1 ZINC000817125533 1288428482 /nfs/dbraw/zinc/42/84/82/1288428482.db2.gz MKUZCQUJTAGYNO-NEPJUHHUSA-N 0 0 339.348 2.673 10 5 EFBERN COc1cccc(C(=O)Nc2cccc3nc[nH]c(=O)c32)c1[N+](=O)[O-] ZINC001177484622 1288445579 /nfs/dbraw/zinc/44/55/79/1288445579.db2.gz CUBNSPOIMTXCPR-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2cccc3c(C)nccc23)c1[N+](=O)[O-] ZINC001177503401 1288453691 /nfs/dbraw/zinc/45/36/91/1288453691.db2.gz RBRAACFNFPLJGV-UHFFFAOYSA-N 0 0 325.328 2.989 10 5 EFBERN O=C(COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000817202984 1288469024 /nfs/dbraw/zinc/46/90/24/1288469024.db2.gz LALCPLIFIAHYCY-AXFHLTTASA-N 0 0 336.319 2.652 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817206490 1288471495 /nfs/dbraw/zinc/47/14/95/1288471495.db2.gz MRYUCBHEPFIYPK-TUAOUCFPSA-N 0 0 348.355 2.521 10 5 EFBERN COc1cc(COC(=O)c2cc(N)nc(Cl)c2)ccc1[N+](=O)[O-] ZINC000778795953 1297720990 /nfs/dbraw/zinc/72/09/90/1297720990.db2.gz LBEGCJDSFXYMKA-UHFFFAOYSA-N 0 0 337.719 2.591 10 5 EFBERN COc1ccc(C(=O)NCc2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001177777092 1288526144 /nfs/dbraw/zinc/52/61/44/1288526144.db2.gz VKJSHBRMPHOODQ-UHFFFAOYSA-N 0 0 344.352 2.538 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ncsc1Nc1ccccc1 ZINC001177806256 1288553968 /nfs/dbraw/zinc/55/39/68/1288553968.db2.gz JWMMTXIRMOBJRA-UHFFFAOYSA-N 0 0 330.329 2.770 10 5 EFBERN CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1ccccc1C(F)(F)F ZINC001177809984 1288555150 /nfs/dbraw/zinc/55/51/50/1288555150.db2.gz FXGCEJIYJRCZHD-LLVKDONJSA-N 0 0 344.249 2.663 10 5 EFBERN C[C@@]1(Br)C[C@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000860116496 1301711070 /nfs/dbraw/zinc/71/10/70/1301711070.db2.gz BEHXZGKMQMUXEP-QPUJVOFHSA-N 0 0 332.125 2.951 10 5 EFBERN C[C@]1(Br)C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000860118183 1301712361 /nfs/dbraw/zinc/71/23/61/1301712361.db2.gz LRFQYUXNPVXLMI-CABZTGNLSA-N 0 0 332.125 2.951 10 5 EFBERN O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817425023 1288603806 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EFBERN Cc1c(C(=O)NC[C@@](C)(O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001178261546 1288733132 /nfs/dbraw/zinc/73/31/32/1288733132.db2.gz ZBHBMYUCAJPWDD-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)CCOc2ccccc21 ZINC001178745754 1288891243 /nfs/dbraw/zinc/89/12/43/1288891243.db2.gz UPEJLQNVJAQFOX-KRWDZBQOSA-N 0 0 327.340 2.605 10 5 EFBERN C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)CCOc2ccccc21 ZINC001178745755 1288891486 /nfs/dbraw/zinc/89/14/86/1288891486.db2.gz UPEJLQNVJAQFOX-QGZVFWFLSA-N 0 0 327.340 2.605 10 5 EFBERN COC[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(C)C ZINC001178766025 1288896757 /nfs/dbraw/zinc/89/67/57/1288896757.db2.gz SRRMZKDBKSNNKH-ZDUSSCGKSA-N 0 0 346.387 2.633 10 5 EFBERN O=c1c(Br)cn(CCC(F)=C(F)F)cc1[N+](=O)[O-] ZINC001165808577 1312680962 /nfs/dbraw/zinc/68/09/62/1312680962.db2.gz KOEVBURELHPJFP-UHFFFAOYSA-N 0 0 327.056 2.987 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](c2cnccn2)C1 ZINC001178840516 1288937769 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O=c1c(Br)cc([N+](=O)[O-])cn1CC=C(Cl)Cl ZINC001165851817 1312691846 /nfs/dbraw/zinc/69/18/46/1312691846.db2.gz WSCLVCIDBKBTTJ-UHFFFAOYSA-N 0 0 327.949 2.838 10 5 EFBERN O=C1Nc2ccccc2[C@@H]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344414826 1289232209 /nfs/dbraw/zinc/23/22/09/1289232209.db2.gz GSYQOOFTPVYFFW-KRWDZBQOSA-N 0 0 338.367 2.942 10 5 EFBERN C[C@]12COC[C@@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C2 ZINC000823254547 1289250604 /nfs/dbraw/zinc/25/06/04/1289250604.db2.gz XYCNWXYEFRDTTC-XPTSAGLGSA-N 0 0 325.752 2.748 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C=Cc2ccsc2)cc1[N+](=O)[O-] ZINC001171017509 1289297967 /nfs/dbraw/zinc/29/79/67/1289297967.db2.gz YTWUNPOZARTLGU-GORDUTHDSA-N 0 0 346.364 2.677 10 5 EFBERN CCn1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(C2CC2)n1 ZINC001179878855 1289303873 /nfs/dbraw/zinc/30/38/73/1289303873.db2.gz FVQUDILVDFZLPA-UHFFFAOYSA-N 0 0 329.360 2.832 10 5 EFBERN CCc1cc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[nH]n1 ZINC001136741680 1289374513 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/nfs/dbraw/zinc/49/35/56/1293493556.db2.gz XPGLMXHTVSGWEK-UHFFFAOYSA-N 0 0 330.388 2.823 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@H](O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000133503812 1293889035 /nfs/dbraw/zinc/88/90/35/1293889035.db2.gz MHFLFYHLJWLGOE-MRXNPFEDSA-N 0 0 344.367 2.765 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800090207 1293913961 /nfs/dbraw/zinc/91/39/61/1293913961.db2.gz AYPULRKKSOSADN-AWEZNQCLSA-N 0 0 346.770 2.911 10 5 EFBERN COc1cc(C(=O)OC[C@@H](F)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000800212043 1293958785 /nfs/dbraw/zinc/95/87/85/1293958785.db2.gz APPSLZLNJTWWMX-SNVBAGLBSA-N 0 0 325.214 2.969 10 5 EFBERN Cc1cc(OS(=O)(=O)C[C@H]2CCC2(F)F)c(F)cc1[N+](=O)[O-] ZINC000867123677 1294010779 /nfs/dbraw/zinc/01/07/79/1294010779.db2.gz CHWZSMWPNPEDHX-MRVPVSSYSA-N 0 0 339.291 2.796 10 5 EFBERN CCOc1ccccc1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134068429 1294063732 /nfs/dbraw/zinc/06/37/32/1294063732.db2.gz KUMLWPXWDSQAEH-UHFFFAOYSA-N 0 0 337.353 2.902 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc3c(c2)CCC3)c1 ZINC000134095529 1294069683 /nfs/dbraw/zinc/06/96/83/1294069683.db2.gz PNDPDBFYLOLOGC-UHFFFAOYSA-N 0 0 333.365 2.992 10 5 EFBERN Cc1nn(C)c(-c2nc(CC3(c4ccccc4)CC3)no2)c1[N+](=O)[O-] ZINC000867142254 1294083310 /nfs/dbraw/zinc/08/33/10/1294083310.db2.gz REONAAQVCYVTDG-UHFFFAOYSA-N 0 0 339.355 2.961 10 5 EFBERN O=[N+]([O-])c1ccn(Cc2nc([C@@H]3CCSc4ccccc43)no2)n1 ZINC000867147533 1294109756 /nfs/dbraw/zinc/10/97/56/1294109756.db2.gz IKLWRRQZNYSCHL-LLVKDONJSA-N 0 0 343.368 2.850 10 5 EFBERN C[C@H](NC(=O)NC[C@@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000884378847 1294122446 /nfs/dbraw/zinc/12/24/46/1294122446.db2.gz GEIFTPJKRHEDRL-WFASDCNBSA-N 0 0 333.388 2.914 10 5 EFBERN C[C@H](NC(=O)NC[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000884378846 1294122665 /nfs/dbraw/zinc/12/26/65/1294122665.db2.gz GEIFTPJKRHEDRL-SWLSCSKDSA-N 0 0 333.388 2.914 10 5 EFBERN Cc1nn(C)c(-c2nc(Cc3cccc(C)c3F)no2)c1[N+](=O)[O-] ZINC000867163119 1294149761 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FWVKMMLABNTAKQ-RHSMWYFYSA-N 0 0 348.399 2.624 10 5 EFBERN CCO[C@H]1COCC[C@@H]1CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000867210012 1294401321 /nfs/dbraw/zinc/40/13/21/1294401321.db2.gz FWVKMMLABNTAKQ-PBHICJAKSA-N 0 0 348.399 2.624 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC000867210095 1294401535 /nfs/dbraw/zinc/40/15/35/1294401535.db2.gz JAOHVJDYRSPZSP-UONOGXRCSA-N 0 0 346.383 2.772 10 5 EFBERN CNC(=O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001197144111 1294458765 /nfs/dbraw/zinc/45/87/65/1294458765.db2.gz CFKZKCCYRUDMRF-UHFFFAOYSA-N 0 0 347.802 2.996 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1O ZINC000867236331 1294549934 /nfs/dbraw/zinc/54/99/34/1294549934.db2.gz YTHDPNFWOOHFHW-JSGCOSHPSA-N 0 0 338.379 2.532 10 5 EFBERN O=C(NC[C@]12C[C@H]1CCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000886004716 1294615886 /nfs/dbraw/zinc/61/58/86/1294615886.db2.gz MCPAGADXZXNXDY-PXAZEXFGSA-N 0 0 326.356 2.701 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]23C[C@H]2CCC3)cc1OC ZINC000886007364 1294618594 /nfs/dbraw/zinc/61/85/94/1294618594.db2.gz HGKJGKXKQLHTTL-DIFFPNOSSA-N 0 0 334.372 2.922 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886218527 1294771680 /nfs/dbraw/zinc/77/16/80/1294771680.db2.gz XUYVXFCDEWSNBQ-WBVHZDCISA-N 0 0 343.427 2.789 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198686767 1295201573 /nfs/dbraw/zinc/20/15/73/1295201573.db2.gz XNPKXPVBNREFGR-ZBFHGGJFSA-N 0 0 347.415 2.875 10 5 EFBERN Cn1cncc1C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001198768433 1295243020 /nfs/dbraw/zinc/24/30/20/1295243020.db2.gz HLPWPHNELUWOOT-UHFFFAOYSA-N 0 0 345.359 2.616 10 5 EFBERN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2N)nc2ccccc12 ZINC000886982087 1295245884 /nfs/dbraw/zinc/24/58/84/1295245884.db2.gz FUVMPEBMHIOUSM-UHFFFAOYSA-N 0 0 338.323 2.786 10 5 EFBERN Cc1cc(Cl)c(C(=O)N[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000887125163 1295285341 /nfs/dbraw/zinc/28/53/41/1295285341.db2.gz KAMFGHQNVPUXCO-MGPLVRAMSA-N 0 0 336.775 2.998 10 5 EFBERN O=C(NC[C@H]1CC[C@@H](C2CC2)O1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000887476232 1295398988 /nfs/dbraw/zinc/39/89/88/1295398988.db2.gz DSXIDCBNGVDOEY-TWMKSMIVSA-N 0 0 330.384 2.772 10 5 EFBERN CCc1nocc1CN(C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001234583198 1313162461 /nfs/dbraw/zinc/16/24/61/1313162461.db2.gz UNWMCGHTTKHDAM-UHFFFAOYSA-N 0 0 332.360 2.795 10 5 EFBERN CC1(CC(F)F)CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000826597370 1295652973 /nfs/dbraw/zinc/65/29/73/1295652973.db2.gz GVCINGKSTPEQAR-UHFFFAOYSA-N 0 0 325.315 2.961 10 5 EFBERN CCO[C@]12CCC[C@@]1(NC(=O)Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000889803888 1295830892 /nfs/dbraw/zinc/83/08/92/1295830892.db2.gz OCRGIUWWRVAXEC-MSOLQXFVSA-N 0 0 348.399 2.638 10 5 EFBERN Cc1nc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[nH]c1C ZINC001137260369 1295880624 /nfs/dbraw/zinc/88/06/24/1295880624.db2.gz FCGDYPFKYLZWGU-UHFFFAOYSA-N 0 0 334.351 2.668 10 5 EFBERN C[C@H](OC(=O)C1(C)CC=CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000924195290 1296746354 /nfs/dbraw/zinc/74/63/54/1296746354.db2.gz DZYSNZJYBDLWSO-JTQLQIEISA-N 0 0 336.319 2.960 10 5 EFBERN CO[C@]1(c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)CCSC1 ZINC000903852899 1313299712 /nfs/dbraw/zinc/29/97/12/1313299712.db2.gz NNAARYHOHGWNAT-CYBMUJFWSA-N 0 0 325.321 2.763 10 5 EFBERN CO[C@@]1(c2noc(CCc3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000903855305 1313302413 /nfs/dbraw/zinc/30/24/13/1313302413.db2.gz GALFSGMHGHTDBD-HNNXBMFYSA-N 0 0 335.385 2.742 10 5 EFBERN C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000925341611 1296828945 /nfs/dbraw/zinc/82/89/45/1296828945.db2.gz PHOCPZOFSMJEDX-UNEWFSDZSA-N 0 0 346.431 2.576 10 5 EFBERN CC(C)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000926882339 1296969851 /nfs/dbraw/zinc/96/98/51/1296969851.db2.gz QCKLHBMXWVCDQL-OAHLLOKOSA-N 0 0 329.356 2.630 10 5 EFBERN O=C(NCCC1(c2ccccc2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000927544610 1297028875 /nfs/dbraw/zinc/02/88/75/1297028875.db2.gz XKOXOCAACOVFOV-KRWDZBQOSA-N 0 0 340.379 2.866 10 5 EFBERN Cc1ccc(C(=O)NC[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000928133775 1297080260 /nfs/dbraw/zinc/08/02/60/1297080260.db2.gz SOMNMIQHKZSDDL-RUCARUNLSA-N 0 0 340.379 2.726 10 5 EFBERN COC(=O)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000928179224 1297085595 /nfs/dbraw/zinc/08/55/95/1297085595.db2.gz PQPHPSNKNNIXHP-NXEZZACHSA-N 0 0 340.763 2.519 10 5 EFBERN COC(=O)C1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000928247477 1297087656 /nfs/dbraw/zinc/08/76/56/1297087656.db2.gz XFDFBTLPSSSZQF-GFCCVEGCSA-N 0 0 346.383 2.896 10 5 EFBERN Cc1cc(CO)cc(C)c1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000928463547 1297101970 /nfs/dbraw/zinc/10/19/70/1297101970.db2.gz VZURJQGVFMMOMT-UHFFFAOYSA-N 0 0 328.368 2.942 10 5 EFBERN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC000928879600 1297141194 /nfs/dbraw/zinc/14/11/94/1297141194.db2.gz HBMYDLFASONXOG-KCPJHIHWSA-N 0 0 337.807 2.656 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000929117972 1297160559 /nfs/dbraw/zinc/16/05/59/1297160559.db2.gz DNSHICGDBJVYGJ-CABCVRRESA-N 0 0 349.387 2.705 10 5 EFBERN CC[C@@H](C)CONC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001298606433 1323573985 /nfs/dbraw/zinc/57/39/85/1323573985.db2.gz FVIKWOZMBLGGOU-SSDOTTSWSA-N 0 0 346.181 2.647 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000930159355 1297242038 /nfs/dbraw/zinc/24/20/38/1297242038.db2.gz GELQKNOHXMAPIE-ZYHUDNBSSA-N 0 0 325.752 2.795 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCc2nc[nH]c2C12CCC2 ZINC000931679416 1297361291 /nfs/dbraw/zinc/36/12/91/1297361291.db2.gz CBMGQRGKJRVRAD-UHFFFAOYSA-N 0 0 328.372 2.764 10 5 EFBERN Cc1c(COC(=O)c2c[nH]cc2-c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000778413716 1297673126 /nfs/dbraw/zinc/67/31/26/1297673126.db2.gz SUMQPXVTRFHOLU-UHFFFAOYSA-N 0 0 340.339 2.989 10 5 EFBERN COc1cc(COC(=O)c2cc(C(C)(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000778780670 1297717004 /nfs/dbraw/zinc/71/70/04/1297717004.db2.gz LVQCDGJQBHKUKG-UHFFFAOYSA-N 0 0 333.344 2.981 10 5 EFBERN COc1cc(COC(=O)c2ccc3[nH]c(=O)oc3c2)ccc1[N+](=O)[O-] ZINC000778784228 1297718855 /nfs/dbraw/zinc/71/88/55/1297718855.db2.gz NMRXAFUWYPEROO-UHFFFAOYSA-N 0 0 344.279 2.807 10 5 EFBERN CCCCO[C@H](C)C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778786447 1297719040 /nfs/dbraw/zinc/71/90/40/1297719040.db2.gz DAUVACCULIZXIX-CJNGLKHVSA-N 0 0 336.388 2.922 10 5 EFBERN COc1cc(COC(=O)[C@H](O)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000778809333 1297722080 /nfs/dbraw/zinc/72/20/80/1297722080.db2.gz XNUJTBHXVJVMMJ-MRXNPFEDSA-N 0 0 345.351 2.640 10 5 EFBERN COc1ccc(C[N@@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000903947894 1313471439 /nfs/dbraw/zinc/47/14/39/1313471439.db2.gz APHWSCZTSQIRRI-BUWBCJGYSA-N 0 0 336.388 2.923 10 5 EFBERN CCOC(=O)CCOC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000803995631 1313525968 /nfs/dbraw/zinc/52/59/68/1313525968.db2.gz JHVSICJKGJLGGB-JTQLQIEISA-N 0 0 327.358 2.572 10 5 EFBERN Cc1nn(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779867025 1298981476 /nfs/dbraw/zinc/98/14/76/1298981476.db2.gz ORSRXUXCPOBINQ-CYBMUJFWSA-N 0 0 338.408 2.501 10 5 EFBERN CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccsc1 ZINC001278044566 1313573863 /nfs/dbraw/zinc/57/38/63/1313573863.db2.gz QUZOEMGUALZJFI-CQSZACIVSA-N 0 0 331.353 2.812 10 5 EFBERN COC(=O)c1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001278065829 1313602758 /nfs/dbraw/zinc/60/27/58/1313602758.db2.gz NKXJXRXGLFORAU-SECBINFHSA-N 0 0 347.302 2.658 10 5 EFBERN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000888478206 1299514834 /nfs/dbraw/zinc/51/48/34/1299514834.db2.gz OPURHPHRYVVSGY-RQJABVFESA-N 0 0 346.383 2.529 10 5 EFBERN O=[N+]([O-])c1ccc([C@H](O)CN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000776585892 1299654950 /nfs/dbraw/zinc/65/49/50/1299654950.db2.gz 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ZINC000853535803 1300154121 /nfs/dbraw/zinc/15/41/21/1300154121.db2.gz CKRYUDAHNDZXNY-UHFFFAOYSA-N 0 0 331.372 2.972 10 5 EFBERN Cc1nn(CN2CC3(CCC3)OC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000853542270 1300157536 /nfs/dbraw/zinc/15/75/36/1300157536.db2.gz ZAAAKAWOTCXQSD-GFCCVEGCSA-N 0 0 330.388 2.854 10 5 EFBERN COc1cc(N2CCC(Oc3cnccn3)CC2)c([N+](=O)[O-])cc1C ZINC000853546264 1300160533 /nfs/dbraw/zinc/16/05/33/1300160533.db2.gz YPYLOSBXFUOAOI-UHFFFAOYSA-N 0 0 344.371 2.750 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853576699 1300174640 /nfs/dbraw/zinc/17/46/40/1300174640.db2.gz FAYKVWPCTDGJJN-CYBMUJFWSA-N 0 0 330.388 2.936 10 5 EFBERN C[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000853628571 1300199788 /nfs/dbraw/zinc/19/97/88/1300199788.db2.gz BVTFVZQKRVHFAN-ZUZCIYMTSA-N 0 0 340.330 2.647 10 5 EFBERN COC(=O)C1(COc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC000853693727 1300233506 /nfs/dbraw/zinc/23/35/06/1300233506.db2.gz TUVZOSUURBDGLY-UHFFFAOYSA-N 0 0 348.124 2.828 10 5 EFBERN CO[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000853759223 1300261841 /nfs/dbraw/zinc/26/18/41/1300261841.db2.gz UWLKDULVFHRSRB-NOZJJQNGSA-N 0 0 345.193 2.821 10 5 EFBERN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000853743860 1300255258 /nfs/dbraw/zinc/25/52/58/1300255258.db2.gz WSBRSECZFRCYPO-CQSZACIVSA-N 0 0 331.328 2.543 10 5 EFBERN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000853743859 1300255518 /nfs/dbraw/zinc/25/55/18/1300255518.db2.gz WSBRSECZFRCYPO-AWEZNQCLSA-N 0 0 331.328 2.543 10 5 EFBERN COC1CC(CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000853749024 1300256677 /nfs/dbraw/zinc/25/66/77/1300256677.db2.gz KHNDEXQFTGPWMD-UHFFFAOYSA-N 0 0 335.360 2.778 10 5 EFBERN CO[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000853759226 1300262398 /nfs/dbraw/zinc/26/23/98/1300262398.db2.gz UWLKDULVFHRSRB-TVQRCGJNSA-N 0 0 345.193 2.821 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[S@](=O)CC(F)(F)F)c(Cl)c1 ZINC000853760538 1300264282 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CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000862299759 1302331347 /nfs/dbraw/zinc/33/13/47/1302331347.db2.gz FZMYRBBFWVYXLM-INIZCTEOSA-N 0 0 328.409 2.545 10 5 EFBERN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000862374554 1302355465 /nfs/dbraw/zinc/35/54/65/1302355465.db2.gz NTULBFXUCWTIDX-FJZAXULXSA-N 0 0 343.383 2.640 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000862745899 1302448753 /nfs/dbraw/zinc/44/87/53/1302448753.db2.gz OZDYDZDKTURFEW-INIZCTEOSA-N 0 0 344.346 2.982 10 5 EFBERN CCO[C@@]1(C)C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000862863393 1302485270 /nfs/dbraw/zinc/48/52/70/1302485270.db2.gz GBUWMOBGTPOGPQ-OCCSQVGLSA-N 0 0 330.743 2.614 10 5 EFBERN O=C(N1CC(Cc2ccco2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000862865330 1302486291 /nfs/dbraw/zinc/48/62/91/1302486291.db2.gz SKOSVHIDQHULEL-UHFFFAOYSA-N 0 0 336.294 2.981 10 5 EFBERN C/C(=C/C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccc([N+](=O)[O-])cc1 ZINC000863059510 1302532170 /nfs/dbraw/zinc/53/21/70/1302532170.db2.gz XTEWHAKLJXBSKM-CFLDCBQASA-N 0 0 348.424 2.510 10 5 EFBERN CCCN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])cc1C=O ZINC000863249545 1302567414 /nfs/dbraw/zinc/56/74/14/1302567414.db2.gz DSUDYCQBCJDFNF-UHFFFAOYSA-N 0 0 348.277 2.587 10 5 EFBERN Cc1cc2oc(=O)cc(Cn3ncc([N+](=O)[O-])n3)c2cc1C(C)C ZINC000863375212 1302597763 /nfs/dbraw/zinc/59/77/63/1302597763.db2.gz LYFOJFUEQYEGOS-UHFFFAOYSA-N 0 0 328.328 2.773 10 5 EFBERN CCOC(=O)C1=CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000863500804 1302632643 /nfs/dbraw/zinc/63/26/43/1302632643.db2.gz CTMJFKZVOQDLBR-SNVBAGLBSA-N 0 0 337.307 2.507 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626763 1302870193 /nfs/dbraw/zinc/87/01/93/1302870193.db2.gz VVBLHQJCGCVLDA-ZDUSSCGKSA-N 0 0 349.387 2.741 10 5 EFBERN O=C1N(c2ccc([N+](=O)[O-])c3ccncc32)C(=O)C23CCC(CC2)N13 ZINC000864565089 1302976393 /nfs/dbraw/zinc/97/63/93/1302976393.db2.gz GAGLDBFQMQHGJC-UHFFFAOYSA-N 0 0 338.323 2.607 10 5 EFBERN Cc1ccc(OC(F)F)c(COC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000795512244 1302981865 /nfs/dbraw/zinc/98/18/65/1302981865.db2.gz WLOQBAAWLTVFHY-UHFFFAOYSA-N 0 0 341.270 2.595 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1([C@@H]2CCCCO2)CCC1 ZINC000864580044 1302986997 /nfs/dbraw/zinc/98/69/97/1302986997.db2.gz JRGZINXDVVTKFA-INIZCTEOSA-N 0 0 347.415 2.862 10 5 EFBERN COc1cc(CCNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000864645318 1303012036 /nfs/dbraw/zinc/01/20/36/1303012036.db2.gz YQAKYKLUVWGEQI-FMKGYKFTSA-N 0 0 348.399 2.563 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000864889695 1303071609 /nfs/dbraw/zinc/07/16/09/1303071609.db2.gz ODLGJOLNPMTGRV-ISWURRPUSA-N 0 0 329.400 2.536 10 5 EFBERN O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000864889890 1303072047 /nfs/dbraw/zinc/07/20/47/1303072047.db2.gz SFIZOUUEUVWOQA-KSSFIOAISA-N 0 0 329.400 2.824 10 5 EFBERN 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/nfs/dbraw/zinc/21/47/49/1303214749.db2.gz SCITVPGTHDIALP-BDJLRTHQSA-N 0 0 349.412 2.505 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@@H]2CCSC2)C1=O ZINC000865314417 1303215320 /nfs/dbraw/zinc/21/53/20/1303215320.db2.gz SCITVPGTHDIALP-BZNIZROVSA-N 0 0 349.412 2.505 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@@H]2CCCS2)C1=O ZINC000865319220 1303215786 /nfs/dbraw/zinc/21/57/86/1303215786.db2.gz FBQUFRMFWIYFMQ-BBRMVZONSA-N 0 0 349.412 2.648 10 5 EFBERN O=[N+]([O-])c1nc(Br)n(C[C@@H]2CCc3ccccc3C2)n1 ZINC000865389899 1303236416 /nfs/dbraw/zinc/23/64/16/1303236416.db2.gz YJALGJBYEARESH-SECBINFHSA-N 0 0 337.177 2.754 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H](O)c1cccc(F)c1 ZINC000865470559 1303271506 /nfs/dbraw/zinc/27/15/06/1303271506.db2.gz DMPVAQOKWJFRDW-SECBINFHSA-N 0 0 348.256 2.632 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000865533564 1303298521 /nfs/dbraw/zinc/29/85/21/1303298521.db2.gz MJIAUPQUCXBUCX-SNVBAGLBSA-N 0 0 326.328 2.550 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@](C)(O)c1ccccc1 ZINC000865539679 1303302652 /nfs/dbraw/zinc/30/26/52/1303302652.db2.gz UKHVBYWLCWTJCL-CYBMUJFWSA-N 0 0 344.293 2.667 10 5 EFBERN CCc1cnc(CCNc2cc(F)c([N+](=O)[O-])cc2CO)s1 ZINC000865565431 1303312290 /nfs/dbraw/zinc/31/22/90/1303312290.db2.gz NWQSGGIHNQKGOT-UHFFFAOYSA-N 0 0 325.365 2.900 10 5 EFBERN Cc1cccc([C@H](O)CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000865619486 1303336380 /nfs/dbraw/zinc/33/63/80/1303336380.db2.gz ABDNBFZQGAKOJI-SNVBAGLBSA-N 0 0 344.293 2.801 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1([C@@H]2CCCCO2)CCC1 ZINC000865662457 1303358243 /nfs/dbraw/zinc/35/82/43/1303358243.db2.gz CEGSTIXIDNRLSH-INIZCTEOSA-N 0 0 348.399 2.829 10 5 EFBERN COCC[C@H]1CCCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865680640 1303363561 /nfs/dbraw/zinc/36/35/61/1303363561.db2.gz IREJJIAMDBHNBG-GFCCVEGCSA-N 0 0 326.368 2.869 10 5 EFBERN O=C(C1CC1)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CCO1 ZINC000865683290 1303364608 /nfs/dbraw/zinc/36/46/08/1303364608.db2.gz BWMYLDCREHWQKC-ZDUSSCGKSA-N 0 0 326.299 2.717 10 5 EFBERN CCOC(CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)OCC ZINC000865720053 1303377714 /nfs/dbraw/zinc/37/77/14/1303377714.db2.gz VGZFNGZKCAOVCO-UHFFFAOYSA-N 0 0 340.302 2.548 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1CNCc1nn(C)cc1C(F)F ZINC000865809292 1303411761 /nfs/dbraw/zinc/41/17/61/1303411761.db2.gz MSTLVDHKYKGGLN-UHFFFAOYSA-N 0 0 340.330 2.954 10 5 EFBERN Cc1nn(C)c(Cl)c1CN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000865903303 1303448181 /nfs/dbraw/zinc/44/81/81/1303448181.db2.gz FSJMTJDJASUCLH-UHFFFAOYSA-N 0 0 330.175 2.975 10 5 EFBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C(OC)OC ZINC000865923534 1303456027 /nfs/dbraw/zinc/45/60/27/1303456027.db2.gz PQLHQBXCFPJFTI-MRVPVSSYSA-N 0 0 346.767 2.844 10 5 EFBERN CO[C@@]1(CO)CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865938646 1303462027 /nfs/dbraw/zinc/46/20/27/1303462027.db2.gz JCSLWPZKVOLZHT-ZDUSSCGKSA-N 0 0 335.187 2.879 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1SCCS1 ZINC000865951654 1303465538 /nfs/dbraw/zinc/46/55/38/1303465538.db2.gz CTKHGRPTQZTGHC-UHFFFAOYSA-N 0 0 328.341 2.565 10 5 EFBERN CC(C)(C)n1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1=O ZINC000865978921 1303475875 /nfs/dbraw/zinc/47/58/75/1303475875.db2.gz JTZBIOBABOIKLL-UHFFFAOYSA-N 0 0 341.367 2.714 10 5 EFBERN CCOC(=O)CCSc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000866030733 1303495601 /nfs/dbraw/zinc/49/56/01/1303495601.db2.gz GUFZJRVWDUAHIM-ALCCZGGFSA-N 0 0 339.369 2.826 10 5 EFBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000866034816 1303498216 /nfs/dbraw/zinc/49/82/16/1303498216.db2.gz OTUHFUAGFZWYLK-NXEZZACHSA-N 0 0 342.421 2.648 10 5 EFBERN CC(C)NC(=O)c1ccc(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c([N+](=O)[O-])c1 ZINC000866044472 1303500594 /nfs/dbraw/zinc/50/05/94/1303500594.db2.gz IHBHWLDZRAGYOX-NTLKJNNPSA-N 0 0 345.399 2.568 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(C(F)(F)F)c1 ZINC000866044364 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ZINC001161511942 1311904326 /nfs/dbraw/zinc/90/43/26/1311904326.db2.gz QOQAHUMZPHMXCW-DEOSSOPVSA-N 0 0 349.368 2.891 10 5 EFBERN CCn1ccnc1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001161516850 1311905669 /nfs/dbraw/zinc/90/56/69/1311905669.db2.gz IFGNISVERLDXER-UHFFFAOYSA-N 0 0 339.149 2.826 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])[nH]1 ZINC001161557563 1311915531 /nfs/dbraw/zinc/91/55/31/1311915531.db2.gz WFUQQYNYTYHQKN-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN CO[C@](C)([C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001161823591 1311982005 /nfs/dbraw/zinc/98/20/05/1311982005.db2.gz LIFBSBFQDSVEEV-ANRSDYALSA-N 0 0 341.795 2.764 10 5 EFBERN CO[C@](C)([C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001161823594 1311982059 /nfs/dbraw/zinc/98/20/59/1311982059.db2.gz LIFBSBFQDSVEEV-VXJOIVPMSA-N 0 0 341.795 2.764 10 5 EFBERN Cc1nn(CN2CC[C@H](OC(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000802746539 1311983469 /nfs/dbraw/zinc/98/34/69/1311983469.db2.gz CTPHRJULIDAMCX-NSHDSACASA-N 0 0 326.303 2.524 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCN1CCc2ccccc2C1 ZINC001162099735 1312047606 /nfs/dbraw/zinc/04/76/06/1312047606.db2.gz YVNQIGBBDSZMQF-UHFFFAOYSA-N 0 0 332.791 2.535 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2cccc(NC(=O)C3CCC3)c2)n1 ZINC001162103261 1312048126 /nfs/dbraw/zinc/04/81/26/1312048126.db2.gz DXOWAPIOUYDMBR-UHFFFAOYSA-N 0 0 329.360 2.679 10 5 EFBERN Cc1c(CC(=O)O[C@@H](C(F)F)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000802818048 1312051200 /nfs/dbraw/zinc/05/12/00/1312051200.db2.gz PFOBSPTWIRTLRM-TZMCWYRMSA-N 0 0 329.299 2.802 10 5 EFBERN CO[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)CC(C)C ZINC001162173910 1312062400 /nfs/dbraw/zinc/06/24/00/1312062400.db2.gz UXOBVEFRQBKRCE-CQSZACIVSA-N 0 0 346.387 2.776 10 5 EFBERN C[C@@H](Nc1nc(N)nc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC001162200215 1312066414 /nfs/dbraw/zinc/06/64/14/1312066414.db2.gz GABZMGXCXHSNIB-ZCFIWIBFSA-N 0 0 328.254 2.554 10 5 EFBERN Cc1ncc(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])s1 ZINC001162278641 1312079346 /nfs/dbraw/zinc/07/93/46/1312079346.db2.gz WTJVAENWCFNMED-UHFFFAOYSA-N 0 0 330.369 2.824 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2nccc(C)n2)c1 ZINC001162317372 1312086317 /nfs/dbraw/zinc/08/63/17/1312086317.db2.gz DLHAPGFQSVIQJW-ZDUSSCGKSA-N 0 0 344.371 2.648 10 5 EFBERN COc1cc(Oc2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1OC ZINC001162549789 1312122873 /nfs/dbraw/zinc/12/28/73/1312122873.db2.gz CLRLQUKVGXYPNG-UHFFFAOYSA-N 0 0 342.311 2.985 10 5 EFBERN O=C(CNC(=O)c1csc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001162593524 1312131537 /nfs/dbraw/zinc/13/15/37/1312131537.db2.gz CZZZRZSKDOIDQY-UHFFFAOYSA-N 0 0 326.280 2.547 10 5 EFBERN CO[C@]1(C)C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1(C)C ZINC001162613154 1312135843 /nfs/dbraw/zinc/13/58/43/1312135843.db2.gz QSEWZTIJAJYWTO-JVXZTZIISA-N 0 0 336.314 2.963 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001162654419 1312143644 /nfs/dbraw/zinc/14/36/44/1312143644.db2.gz HXPPDGLQRDQEKF-WBVHZDCISA-N 0 0 330.315 2.727 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001162654418 1312143714 /nfs/dbraw/zinc/14/37/14/1312143714.db2.gz HXPPDGLQRDQEKF-RDJZCZTQSA-N 0 0 330.315 2.727 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1 ZINC000802950750 1312153461 /nfs/dbraw/zinc/15/34/61/1312153461.db2.gz UADRCQSNJVKPKM-KGLIPLIRSA-N 0 0 345.355 2.731 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1noc(C(F)(F)F)n1 ZINC001162787047 1312176492 /nfs/dbraw/zinc/17/64/92/1312176492.db2.gz BZQAKEPOWQIMPK-ZETCQYMHSA-N 0 0 344.249 2.796 10 5 EFBERN Cc1cc(C[C@@H](C)Nc2nn(C)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC001162855338 1312190713 /nfs/dbraw/zinc/19/07/13/1312190713.db2.gz GRNJXPCNTSLPSZ-GFCCVEGCSA-N 0 0 340.387 2.866 10 5 EFBERN Cn1ccc([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000902911680 1312203807 /nfs/dbraw/zinc/20/38/07/1312203807.db2.gz BBHZCBNFJXFGAR-GFCCVEGCSA-N 0 0 329.360 2.740 10 5 EFBERN COc1ccc(CC(=O)O[C@H](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000803016722 1312206248 /nfs/dbraw/zinc/20/62/48/1312206248.db2.gz WWFVKXIDHPMFKT-GFCCVEGCSA-N 0 0 337.372 2.894 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1COc2ccccc2O1 ZINC001163053575 1312233031 /nfs/dbraw/zinc/23/30/31/1312233031.db2.gz CBALPDXFZVLNCC-GFCCVEGCSA-N 0 0 343.339 2.805 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1C(=O)OC ZINC001163054867 1312233583 /nfs/dbraw/zinc/23/35/83/1312233583.db2.gz OLFDLOFBXSUHBB-UHFFFAOYSA-N 0 0 343.339 2.604 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C=O)cc1 ZINC001163055064 1312233601 /nfs/dbraw/zinc/23/36/01/1312233601.db2.gz ROSRVXFKHLAYEA-LLVKDONJSA-N 0 0 343.339 2.855 10 5 EFBERN CC1(C)SC[C@H]1Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001163133957 1312248861 /nfs/dbraw/zinc/24/88/61/1312248861.db2.gz WLDCARRVHOVCQC-GFCCVEGCSA-N 0 0 334.357 2.779 10 5 EFBERN CC[C@@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC001230505162 1312250044 /nfs/dbraw/zinc/25/00/44/1312250044.db2.gz DUNYBIVEUHFMRE-BMFZPTHFSA-N 0 0 335.404 2.848 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001230515885 1312251269 /nfs/dbraw/zinc/25/12/69/1312251269.db2.gz XTBNZEYSCOIGEU-BZUAXINKSA-N 0 0 333.388 2.770 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1COc2ccccc2C1 ZINC001163350094 1312294430 /nfs/dbraw/zinc/29/44/30/1312294430.db2.gz FGJZWHLBZMYIMD-GFCCVEGCSA-N 0 0 348.305 2.741 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2Cc3ccccc3NC(=O)C2)c1C ZINC001163376399 1312299687 /nfs/dbraw/zinc/29/96/87/1312299687.db2.gz HSNZWXIIHJFGBW-UHFFFAOYSA-N 0 0 339.351 2.806 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1NCc1nccnc1Cl ZINC001163383126 1312300761 /nfs/dbraw/zinc/30/07/61/1312300761.db2.gz BIMHTERHBMYINK-UHFFFAOYSA-N 0 0 344.556 2.808 10 5 EFBERN CC(C)CCc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001163399185 1312304278 /nfs/dbraw/zinc/30/42/78/1312304278.db2.gz GNNWXQUFGLPABL-UHFFFAOYSA-N 0 0 331.376 2.957 10 5 EFBERN NC(=O)Cc1ccc(CNc2ncc([N+](=O)[O-])c3ccccc32)cc1 ZINC001163427627 1312310717 /nfs/dbraw/zinc/31/07/17/1312310717.db2.gz PAHPRKXLKFGMJI-UHFFFAOYSA-N 0 0 336.351 2.783 10 5 EFBERN Cc1cc(F)cc(C(=O)Nc2c[nH]nc2Br)c1[N+](=O)[O-] ZINC001163454718 1312316059 /nfs/dbraw/zinc/31/60/59/1312316059.db2.gz MMUGPZYXQQTEKP-UHFFFAOYSA-N 0 0 343.112 2.780 10 5 EFBERN COC(=O)[C@H](C)c1cccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001163487776 1312323378 /nfs/dbraw/zinc/32/33/78/1312323378.db2.gz COIRQVQLGDVZEK-SNVBAGLBSA-N 0 0 343.339 2.714 10 5 EFBERN NC(=O)[C@]1(c2ccccc2)CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001163508055 1312328586 /nfs/dbraw/zinc/32/85/86/1312328586.db2.gz YHULBQRDLLGNOY-QGZVFWFLSA-N 0 0 345.786 2.882 10 5 EFBERN CC[C@H](Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](O)C(C)C ZINC001163507514 1312328835 /nfs/dbraw/zinc/32/88/35/1312328835.db2.gz JWSVVPVHFJVCMG-RDJZCZTQSA-N 0 0 344.415 2.990 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2nn(CC)nc2C)cc1C ZINC001163566005 1312338995 /nfs/dbraw/zinc/33/89/95/1312338995.db2.gz LBSWNYYZKJAXJN-UHFFFAOYSA-N 0 0 347.375 2.612 10 5 EFBERN O=[N+]([O-])c1c(N[C@@H](CCO)c2ccccc2F)nc2ccccn21 ZINC001163577200 1312340740 /nfs/dbraw/zinc/34/07/40/1312340740.db2.gz JUVKLYLCRUTSPL-ZDUSSCGKSA-N 0 0 330.319 2.917 10 5 EFBERN COc1cccc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc21 ZINC001163626555 1312350126 /nfs/dbraw/zinc/35/01/26/1312350126.db2.gz QVWVLBQDNIIEQK-UHFFFAOYSA-N 0 0 346.324 2.566 10 5 EFBERN CCC(=O)c1ccc(N2CC[C@H](c3cc(=O)[nH][nH]3)C2)c([N+](=O)[O-])c1 ZINC001163643907 1312353439 /nfs/dbraw/zinc/35/34/39/1312353439.db2.gz ZZFQWEJYJYEFSQ-NSHDSACASA-N 0 0 330.344 2.610 10 5 EFBERN COC[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccc(OC)c1 ZINC001163680999 1312362493 /nfs/dbraw/zinc/36/24/93/1312362493.db2.gz AVSYUVCGTUDMAT-HNNXBMFYSA-N 0 0 345.355 2.502 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000803221508 1312387292 /nfs/dbraw/zinc/38/72/92/1312387292.db2.gz CSBXZTRCMFKEDW-UONOGXRCSA-N 0 0 336.351 2.891 10 5 EFBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C1CC1 ZINC000903135689 1312393381 /nfs/dbraw/zinc/39/33/81/1312393381.db2.gz MAOLQGJRBCBOHF-ZBFHGGJFSA-N 0 0 342.355 2.534 10 5 EFBERN O=c1[nH]cccc1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001163851761 1312395192 /nfs/dbraw/zinc/39/51/92/1312395192.db2.gz DETBABFQNKGKJI-UHFFFAOYSA-N 0 0 331.719 2.904 10 5 EFBERN Cc1ncc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC001163882182 1312400977 /nfs/dbraw/zinc/40/09/77/1312400977.db2.gz PTEPMRIRPWVJSZ-LURJTMIESA-N 0 0 347.443 2.998 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC001163928599 1312409426 /nfs/dbraw/zinc/40/94/26/1312409426.db2.gz FDRMBLRPJLTIOI-HNNXBMFYSA-N 0 0 349.431 2.796 10 5 EFBERN O=C(OC[C@H]1Cc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000803260821 1312432591 /nfs/dbraw/zinc/43/25/91/1312432591.db2.gz MBSKKYWVINKYKY-GFCCVEGCSA-N 0 0 341.319 2.863 10 5 EFBERN Cc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1Br ZINC001164066543 1312440622 /nfs/dbraw/zinc/44/06/22/1312440622.db2.gz DPLLTABNTNLBJA-UHFFFAOYSA-N 0 0 338.165 2.650 10 5 EFBERN COc1ccc(OC)c([C@@H](O)[C@@H](C)Nc2ncccc2[N+](=O)[O-])c1 ZINC001164086612 1312444049 /nfs/dbraw/zinc/44/40/49/1312444049.db2.gz ZSKAUQQDQQKLGE-BMIGLBTASA-N 0 0 333.344 2.541 10 5 EFBERN C[C@@H]1Cc2n[nH]cc2CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC001164145595 1312457186 /nfs/dbraw/zinc/45/71/86/1312457186.db2.gz CUZWDHMZBFZUQT-MRVPVSSYSA-N 0 0 330.373 2.521 10 5 EFBERN CN(c1cccc(CNc2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O ZINC001164325269 1312492957 /nfs/dbraw/zinc/49/29/57/1312492957.db2.gz GCHANBKAVWGDSZ-UHFFFAOYSA-N 0 0 335.385 2.603 10 5 EFBERN COC(=O)c1ccnc(N(C)[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC001164357953 1312499571 /nfs/dbraw/zinc/49/95/71/1312499571.db2.gz HFAZHXHMXFSJSV-CQSZACIVSA-N 0 0 341.367 2.770 10 5 EFBERN COC(=O)c1cnc(N2CCc3cc(F)cc(F)c3C2)c([N+](=O)[O-])c1 ZINC001164393420 1312507645 /nfs/dbraw/zinc/50/76/45/1312507645.db2.gz JKLXWWPZCHMLFB-UHFFFAOYSA-N 0 0 349.293 2.617 10 5 EFBERN O=C(OC[C@H]1Cc2ccccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000803335366 1312524724 /nfs/dbraw/zinc/52/47/24/1312524724.db2.gz DBLHMGGADGRVSY-GFCCVEGCSA-N 0 0 341.319 2.863 10 5 EFBERN O=C(Cn1ncc2ccccc21)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803342029 1312530859 /nfs/dbraw/zinc/53/08/59/1312530859.db2.gz JSAQABRMVOVJJU-UHFFFAOYSA-N 0 0 347.277 2.966 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@H]1CC2(CCC2)CO1 ZINC001164673648 1312556792 /nfs/dbraw/zinc/55/67/92/1312556792.db2.gz QFSJUPFJMWLJGP-CYBMUJFWSA-N 0 0 325.386 2.636 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CC(=O)CCc1ccccc1 ZINC001164673921 1312557207 /nfs/dbraw/zinc/55/72/07/1312557207.db2.gz RGRAAIGURSLHGA-UHFFFAOYSA-N 0 0 347.392 2.879 10 5 EFBERN CCNC(=O)Oc1cccc(OC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC001277572850 1312571354 /nfs/dbraw/zinc/57/13/54/1312571354.db2.gz CKNPZUBBTNMMPI-UHFFFAOYSA-N 0 0 336.325 2.984 10 5 EFBERN CNc1ncc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000803391564 1312580347 /nfs/dbraw/zinc/58/03/47/1312580347.db2.gz HSPGQGYOEDHXBK-UHFFFAOYSA-N 0 0 329.284 2.728 10 5 EFBERN CN(C)C(=O)OCSc1nc2cc3ccccc3cc2c(=O)n1C ZINC001165297636 1312605113 /nfs/dbraw/zinc/60/51/13/1312605113.db2.gz WDDGVIYEQBENNI-UHFFFAOYSA-N 0 0 343.408 2.835 10 5 EFBERN COC(=O)c1cc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC001165561910 1312647601 /nfs/dbraw/zinc/64/76/01/1312647601.db2.gz FHXDTJFDOLQATP-UHFFFAOYSA-N 0 0 346.217 2.967 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000749122309 1314823274 /nfs/dbraw/zinc/82/32/74/1314823274.db2.gz LVRUCEBHOCWRHQ-KGLIPLIRSA-N 0 0 347.415 2.550 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000749124500 1314856403 /nfs/dbraw/zinc/85/64/03/1314856403.db2.gz XKWUDASEZMKDGP-QWRGUYRKSA-N 0 0 340.326 2.762 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000749124963 1314857285 /nfs/dbraw/zinc/85/72/85/1314857285.db2.gz YICQPKPLMHHYJP-OLZOCXBDSA-N 0 0 336.363 2.931 10 5 EFBERN C[C@@H](NC(=O)N1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001248635344 1314950760 /nfs/dbraw/zinc/95/07/60/1314950760.db2.gz DGXGNUYMTNEYIU-JIMOISOXSA-N 0 0 325.315 2.952 10 5 EFBERN CCC[C@H](CCO)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001251304751 1315339726 /nfs/dbraw/zinc/33/97/26/1315339726.db2.gz KXMSOJXVIITKKR-ZIAGYGMSSA-N 0 0 337.420 2.796 10 5 EFBERN C[C@H](CNC(=O)N1CC(F)(F)C(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC001251304276 1315339738 /nfs/dbraw/zinc/33/97/38/1315339738.db2.gz CBIAAZAJWMMHFO-SECBINFHSA-N 0 0 349.284 2.994 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1F ZINC000827979383 1315478772 /nfs/dbraw/zinc/47/87/72/1315478772.db2.gz RARCGDFDJBWNOM-BXKDBHETSA-N 0 0 327.331 2.620 10 5 EFBERN CNC(=O)Oc1cccc(OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC001278682980 1315509453 /nfs/dbraw/zinc/50/94/53/1315509453.db2.gz BSOONLHGJOCLNE-YFHOEESVSA-N 0 0 342.307 2.932 10 5 EFBERN COC(=O)c1cccc2c1CN(c1nc(C)ccc1[N+](=O)[O-])CC2 ZINC000826726516 1315532980 /nfs/dbraw/zinc/53/29/80/1315532980.db2.gz SWFBRABRFHYWCA-UHFFFAOYSA-N 0 0 327.340 2.648 10 5 EFBERN CO[C@@H]1COCC[C@H]1CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001278725035 1315609570 /nfs/dbraw/zinc/60/95/70/1315609570.db2.gz AQDJRMUHBPCSPE-SWLSCSKDSA-N 0 0 345.355 2.523 10 5 EFBERN Cc1nn(C)c(C)c1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001278729748 1315618203 /nfs/dbraw/zinc/61/82/03/1315618203.db2.gz GEDWVYZMQIKWPM-UHFFFAOYSA-N 0 0 325.328 2.746 10 5 EFBERN CC(C)c1nc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001254294085 1315692136 /nfs/dbraw/zinc/69/21/36/1315692136.db2.gz GJNPRBVUNQTNIT-UHFFFAOYSA-N 0 0 325.275 2.567 10 5 EFBERN CC[C@@H](NC(=O)N(C)[C@@H]1CC(C)(C)OC1=O)c1cccc([N+](=O)[O-])c1 ZINC000813669272 1315790415 /nfs/dbraw/zinc/79/04/15/1315790415.db2.gz DNUHKPRIODXGFI-ZIAGYGMSSA-N 0 0 349.387 2.781 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 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COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(OC(F)F)cc1 ZINC001288212273 1321617708 /nfs/dbraw/zinc/61/77/08/1321617708.db2.gz KBLVBWKXDIYTET-UHFFFAOYSA-N 0 0 339.254 2.852 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCC(=O)c1ccc(C)s1 ZINC001288214040 1321618660 /nfs/dbraw/zinc/61/86/60/1321618660.db2.gz YKCVJSHKUAMVHT-UHFFFAOYSA-N 0 0 349.368 2.970 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C/c1ccnc(Cl)c1 ZINC001288216210 1321619734 /nfs/dbraw/zinc/61/97/34/1321619734.db2.gz OYBXMOJISISLBF-NSCUHMNNSA-N 0 0 334.719 2.699 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cnc2ccsc2c1 ZINC001288216200 1321619889 /nfs/dbraw/zinc/61/98/89/1321619889.db2.gz OQIQIMSEOXREKX-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN C[C@H](OC(=O)[C@H]1CNC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001288219799 1321620643 /nfs/dbraw/zinc/62/06/43/1321620643.db2.gz SQOXVMDQBUKAPW-NHYWBVRUSA-N 0 0 340.335 2.726 10 5 EFBERN Cc1occc(=O)c1OCC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001288218497 1321620704 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2.848 10 5 EFBERN CC(C)c1cncnc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001289075785 1321799581 /nfs/dbraw/zinc/79/95/81/1321799581.db2.gz HQECHGXKMUFWBR-UHFFFAOYSA-N 0 0 329.360 2.583 10 5 EFBERN CCc1ccc(C(=O)N[C@H](CC(=O)OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC001289248738 1321809258 /nfs/dbraw/zinc/80/92/58/1321809258.db2.gz UBOZWPSDPCJGRV-CQSZACIVSA-N 0 0 336.388 2.865 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cscc2Cl)ccc1[N+](=O)[O-] ZINC001289259824 1321809678 /nfs/dbraw/zinc/80/96/78/1321809678.db2.gz ZYAUHIGPXVNVCP-UHFFFAOYSA-N 0 0 325.733 2.661 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(F)(F)F)n(C)n1 ZINC001289265250 1321810609 /nfs/dbraw/zinc/81/06/09/1321810609.db2.gz AQOYJIIOBUVVFB-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)c1ccccc1[N+](=O)[O-] ZINC001289346422 1321812824 /nfs/dbraw/zinc/81/28/24/1321812824.db2.gz ANIGBWHDBVHFNK-LBPRGKRZSA-N 0 0 341.367 2.848 10 5 EFBERN COc1cccc(F)c1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001289340173 1321813010 /nfs/dbraw/zinc/81/30/10/1321813010.db2.gz HZURHBJXKDKIJV-UHFFFAOYSA-N 0 0 340.257 2.951 10 5 EFBERN CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)n1 ZINC001289491205 1321818484 /nfs/dbraw/zinc/81/84/84/1321818484.db2.gz SSTWHQGFPWTGDR-STQMWFEESA-N 0 0 344.371 2.915 10 5 EFBERN CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001289508072 1321819566 /nfs/dbraw/zinc/81/95/66/1321819566.db2.gz HRWTXZDSPGDQQR-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN Cc1ncccc1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001289577483 1321820978 /nfs/dbraw/zinc/82/09/78/1321820978.db2.gz BUHPIJFIFXBNHZ-UHFFFAOYSA-N 0 0 338.367 2.681 10 5 EFBERN Cc1ncccc1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001289577471 1321821240 /nfs/dbraw/zinc/82/12/40/1321821240.db2.gz BKRDFQRUORAKDW-UHFFFAOYSA-N 0 0 338.367 2.612 10 5 EFBERN Cc1nc2ccccn2c1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001289612095 1321821945 /nfs/dbraw/zinc/82/19/45/1321821945.db2.gz TWNAYOVWPOKEKK-UHFFFAOYSA-N 0 0 346.293 2.759 10 5 EFBERN COc1cc(C(=O)Nc2cnc(F)c(F)c2)c([N+](=O)[O-])cc1OC ZINC001289755120 1321824666 /nfs/dbraw/zinc/82/46/66/1321824666.db2.gz ZEJYUUYYYWJKQC-UHFFFAOYSA-N 0 0 339.254 2.538 10 5 EFBERN Cc1nn(C)c2ncc(C(=O)Nc3cc(C)cc([N+](=O)[O-])c3)cc12 ZINC001289784863 1321827489 /nfs/dbraw/zinc/82/74/89/1321827489.db2.gz IXGOYDQULJDJCC-UHFFFAOYSA-N 0 0 325.328 2.746 10 5 EFBERN COc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c([N+](=O)[O-])cc1F ZINC001289957619 1321845001 /nfs/dbraw/zinc/84/50/01/1321845001.db2.gz AETJCZPHWZWQNC-UHFFFAOYSA-N 0 0 347.258 2.842 10 5 EFBERN Cc1ccc(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC001290077087 1321875836 /nfs/dbraw/zinc/87/58/36/1321875836.db2.gz YDHKAACDHABRDY-UHFFFAOYSA-N 0 0 346.318 2.803 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)Cc1ccccc1 ZINC001290142027 1321880720 /nfs/dbraw/zinc/88/07/20/1321880720.db2.gz ADGNWWBWYPEPFK-UHFFFAOYSA-N 0 0 345.330 2.965 10 5 EFBERN COCCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001290699264 1321943329 /nfs/dbraw/zinc/94/33/29/1321943329.db2.gz NAHFFEYBZZHNDR-UHFFFAOYSA-N 0 0 343.383 2.508 10 5 EFBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCCOC(C)C ZINC001290719379 1321944538 /nfs/dbraw/zinc/94/45/38/1321944538.db2.gz QQFDBFWCWITVCA-UHFFFAOYSA-N 0 0 347.419 2.946 10 5 EFBERN C[C@H](c1ccccc1F)N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001290735455 1321946644 /nfs/dbraw/zinc/94/66/44/1321946644.db2.gz KTXVJLHWNITYAS-SSDOTTSWSA-N 0 0 326.715 2.944 10 5 EFBERN Cc1n[nH]cc1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001290769348 1321959512 /nfs/dbraw/zinc/95/95/12/1321959512.db2.gz KCJXOTWEJFHOEJ-UHFFFAOYSA-N 0 0 336.779 2.571 10 5 EFBERN CCc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC001290823938 1321963948 /nfs/dbraw/zinc/96/39/48/1321963948.db2.gz RGPNSCCQHRXFHI-UHFFFAOYSA-N 0 0 329.356 2.705 10 5 EFBERN Nc1nccc(C(=O)NCc2csc3ccccc23)c1[N+](=O)[O-] ZINC001290955515 1321972183 /nfs/dbraw/zinc/97/21/83/1321972183.db2.gz CBUUNNFZWKESDM-UHFFFAOYSA-N 0 0 328.353 2.717 10 5 EFBERN Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC001290961746 1321972739 /nfs/dbraw/zinc/97/27/39/1321972739.db2.gz RJXXQMNAEXMHIO-UHFFFAOYSA-N 0 0 333.369 2.635 10 5 EFBERN C[C@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCOCC1 ZINC001291037887 1321975576 /nfs/dbraw/zinc/97/55/76/1321975576.db2.gz JAANIFHOGWRKGY-WFASDCNBSA-N 0 0 343.387 2.661 10 5 EFBERN C[C@@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742677 1322004542 /nfs/dbraw/zinc/00/45/42/1322004542.db2.gz RZDQWDWKLSRTOO-BZNIZROVSA-N 0 0 343.387 2.576 10 5 EFBERN CC(=O)Nc1cc(F)ccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001291853878 1322018690 /nfs/dbraw/zinc/01/86/90/1322018690.db2.gz RQSPURKWHRNMNN-UHFFFAOYSA-N 0 0 331.303 2.622 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(Br)s1 ZINC001291893763 1322021420 /nfs/dbraw/zinc/02/14/20/1322021420.db2.gz NJISCFIYYUKWCB-UHFFFAOYSA-N 0 0 343.162 2.770 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(n2ccnc2)CC1 ZINC001292419443 1322071244 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EFBERN COc1ccc([C@@H](C)CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001293443561 1322254894 /nfs/dbraw/zinc/25/48/94/1322254894.db2.gz VWTCDBKYCANXEQ-NSHDSACASA-N 0 0 344.371 2.504 10 5 EFBERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001293501356 1322269678 /nfs/dbraw/zinc/26/96/78/1322269678.db2.gz SXOXIVRCLJOAEW-IAQYHMDHSA-N 0 0 335.404 2.748 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC001293525188 1322277061 /nfs/dbraw/zinc/27/70/61/1322277061.db2.gz MVFRRYMTVCHDRJ-UHFFFAOYSA-N 0 0 345.693 2.544 10 5 EFBERN Cc1c(C(=O)NCc2cccc([N+](=O)[O-])c2)[nH]nc1C(F)(F)F ZINC001293541776 1322279697 /nfs/dbraw/zinc/27/96/97/1322279697.db2.gz ONEIDXAVZQWWDE-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1(O)CCCCC1 ZINC001293752727 1322342531 /nfs/dbraw/zinc/34/25/31/1322342531.db2.gz MCOOWMMYXZVTMN-UHFFFAOYSA-N 0 0 326.780 2.602 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cnc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC001294093664 1322407520 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CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(O)c(F)c1 ZINC001296875257 1323043175 /nfs/dbraw/zinc/04/31/75/1323043175.db2.gz HEOCOBMRDAPLCP-UHFFFAOYSA-N 0 0 332.331 2.683 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001297047988 1323075700 /nfs/dbraw/zinc/07/57/00/1323075700.db2.gz QVFNRURDUVAMFA-CYBMUJFWSA-N 0 0 334.763 2.878 10 5 EFBERN CCCc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc(=O)[nH]1 ZINC001297274047 1323145037 /nfs/dbraw/zinc/14/50/37/1323145037.db2.gz QIHRLQNILSDHDX-UHFFFAOYSA-N 0 0 329.356 2.620 10 5 EFBERN CO[C@H]1CC[C@H]1N(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307231883 1323174288 /nfs/dbraw/zinc/17/42/88/1323174288.db2.gz SFMHMAGEHHPRBL-OCCSQVGLSA-N 0 0 332.316 2.665 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccn2ccnc2c1 ZINC001297440753 1323216981 /nfs/dbraw/zinc/21/69/81/1323216981.db2.gz VDISTNLABQKMHL-UHFFFAOYSA-N 0 0 338.323 2.844 10 5 EFBERN Cc1noc([C@@H]2CCCN2C(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC001297638100 1323305642 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CCOc1ncc(C)cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001298541583 1323563692 /nfs/dbraw/zinc/56/36/92/1323563692.db2.gz KBSIEHHSZCCPTK-UHFFFAOYSA-N 0 0 334.307 2.671 10 5 EFBERN CC(C)(NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC001298590497 1323570516 /nfs/dbraw/zinc/57/05/16/1323570516.db2.gz TWEMCLYEHHHYFL-UHFFFAOYSA-N 0 0 326.715 2.776 10 5 EFBERN CC[C@H](C)CONC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001298606437 1323574652 /nfs/dbraw/zinc/57/46/52/1323574652.db2.gz FVIKWOZMBLGGOU-ZETCQYMHSA-N 0 0 346.181 2.647 10 5 EFBERN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298611025 1323575277 /nfs/dbraw/zinc/57/52/77/1323575277.db2.gz YBKFRRNCWFKYBY-SECBINFHSA-N 0 0 336.735 2.728 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)C1CCCCC1 ZINC001298615511 1323576344 /nfs/dbraw/zinc/57/63/44/1323576344.db2.gz DWYIGEPPHNKKHF-ZDUSSCGKSA-N 0 0 338.379 2.961 10 5 EFBERN CN(C)c1cc(F)c(C(=O)NC/C=C/c2cccnc2)cc1[N+](=O)[O-] ZINC001298673855 1323586160 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EFBERN COc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc2c1O[C@H](C)C2 ZINC001298876073 1323627301 /nfs/dbraw/zinc/62/73/01/1323627301.db2.gz SWZQLNULAHNFEZ-SECBINFHSA-N 0 0 343.339 2.761 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)ccc1C ZINC001298876460 1323627548 /nfs/dbraw/zinc/62/75/48/1323627548.db2.gz XCUYOSNQCRINOZ-UHFFFAOYSA-N 0 0 329.312 2.524 10 5 EFBERN O=C(NCc1cnc(Cl)cn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001298983909 1323656276 /nfs/dbraw/zinc/65/62/76/1323656276.db2.gz BFEIDPFADALPHH-UHFFFAOYSA-N 0 0 327.127 2.622 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1c(C)n[nH]c1C ZINC001298995723 1323660382 /nfs/dbraw/zinc/66/03/82/1323660382.db2.gz FOLVEMKOXLTODV-SECBINFHSA-N 0 0 332.360 2.824 10 5 EFBERN Cc1csc(NCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC001299089354 1323688170 /nfs/dbraw/zinc/68/81/70/1323688170.db2.gz KRNMDIAGFPSZBL-UHFFFAOYSA-N 0 0 340.792 2.855 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc2oc(=O)n(C)c2cc1F ZINC001299124296 1323699728 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C[C@@H](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)NC(=O)OC(C)(C)C ZINC001351661963 1333264890 /nfs/dbraw/zinc/26/48/90/1333264890.db2.gz PONVPMQYKXGZSL-NSHDSACASA-N 0 0 349.387 2.787 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001351756700 1333281433 /nfs/dbraw/zinc/28/14/33/1333281433.db2.gz MROHKLFFPGNEPG-QCSYZSNVSA-N 0 0 343.427 2.531 10 5 EFBERN Cc1c(C(=O)NC(C)(C)C(C)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847116110 1333329972 /nfs/dbraw/zinc/32/99/72/1333329972.db2.gz PBONICSDTZGIIG-UHFFFAOYSA-N 0 0 331.275 2.975 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)ccc1[N+](=O)[O-] ZINC001352022158 1333356294 /nfs/dbraw/zinc/35/62/94/1333356294.db2.gz IDJDMHDXADODCD-CMSWKTDVSA-N 0 0 346.383 2.535 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)OCCOC(F)(F)F ZINC001352032080 1333360062 /nfs/dbraw/zinc/36/00/62/1333360062.db2.gz KJTWYNGVNGUYKV-UHFFFAOYSA-N 0 0 325.264 2.767 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)CC2 ZINC001352050767 1333367299 /nfs/dbraw/zinc/36/72/99/1333367299.db2.gz JFFFJXIMHKBUJK-UHFFFAOYSA-N 0 0 327.340 2.505 10 5 EFBERN COC[C@@H](CC(C)(C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000847200789 1333404989 /nfs/dbraw/zinc/40/49/89/1333404989.db2.gz UJKYETDEVKHDBJ-LLVKDONJSA-N 0 0 342.367 2.680 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000847201381 1333407055 /nfs/dbraw/zinc/40/70/55/1333407055.db2.gz OOODLCFHZKFKQX-KYZUINATSA-N 0 0 328.315 2.949 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC000847212349 1333414580 /nfs/dbraw/zinc/41/45/80/1333414580.db2.gz XAVXUTALEBFVEJ-DWOQACPDSA-N 0 0 330.344 2.909 10 5 EFBERN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000847217654 1333417880 /nfs/dbraw/zinc/41/78/80/1333417880.db2.gz MCQRFEKAEYDIJL-UHFFFAOYSA-N 0 0 344.314 2.802 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCn2c3ccccc3nc21 ZINC001352257711 1333444843 /nfs/dbraw/zinc/44/48/43/1333444843.db2.gz XSMVOESGOZOYBI-UHFFFAOYSA-N 0 0 326.287 2.744 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)Cc2ccc(OC)cc2)n1 ZINC001352299959 1333460937 /nfs/dbraw/zinc/46/09/37/1333460937.db2.gz JKXQNVDKOZGJJC-LBPRGKRZSA-N 0 0 346.387 2.523 10 5 EFBERN O=C(Nc1nc2c(s1)C(=O)CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC001352300393 1333460988 /nfs/dbraw/zinc/46/09/88/1333460988.db2.gz OFQYUJZCFPMRHF-UHFFFAOYSA-N 0 0 335.316 2.962 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(Cl)cc2cccnc21 ZINC001352381078 1333505831 /nfs/dbraw/zinc/50/58/31/1333505831.db2.gz HHCMEMFXGIZSGX-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN COC(=O)Cc1occ(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001352634611 1333644869 /nfs/dbraw/zinc/64/48/69/1333644869.db2.gz MLWCNOWODMEBCB-UHFFFAOYSA-N 0 0 336.275 2.603 10 5 EFBERN CC(C)c1nc([C@@H](CO)NC(=O)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001300079224 1333659014 /nfs/dbraw/zinc/65/90/14/1333659014.db2.gz VQXRNNMTYDZNHH-CYBMUJFWSA-N 0 0 349.412 2.567 10 5 EFBERN COC(=O)c1nc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cs1 ZINC001352673462 1333662894 /nfs/dbraw/zinc/66/28/94/1333662894.db2.gz TVZIHSNWHCLENB-UHFFFAOYSA-N 0 0 341.732 2.744 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001352703949 1333673716 /nfs/dbraw/zinc/67/37/16/1333673716.db2.gz PMGMNNXEAPAEKJ-UHFFFAOYSA-N 0 0 346.364 2.783 10 5 EFBERN O=C(NCCC[C@H]1CC1(Cl)Cl)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001300160202 1333825680 /nfs/dbraw/zinc/82/56/80/1333825680.db2.gz WRLBOCNJHRJNRT-YFKPBYRVSA-N 0 0 341.582 2.675 10 5 EFBERN CCc1ccccc1NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001352981803 1333844881 /nfs/dbraw/zinc/84/48/81/1333844881.db2.gz UFTPTGFXRRQRQK-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN COc1nscc1CN(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001353112064 1333932341 /nfs/dbraw/zinc/93/23/41/1333932341.db2.gz OTQWIKZVTRVANN-JTQLQIEISA-N 0 0 335.385 2.822 10 5 EFBERN CN(CC(F)(F)C(F)(F)F)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001353137675 1333955902 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341.319 2.847 10 5 EFBERN CC(C)OC(=O)COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001354185444 1334153226 /nfs/dbraw/zinc/15/32/26/1334153226.db2.gz SSXQRAFGAOWUQZ-UHFFFAOYSA-N 0 0 329.736 2.676 10 5 EFBERN Nc1c(C(=O)NCCc2ccnc3ccccc23)cccc1[N+](=O)[O-] ZINC001300539996 1334160097 /nfs/dbraw/zinc/16/00/97/1334160097.db2.gz HADIUOVAYBGIFV-UHFFFAOYSA-N 0 0 336.351 2.698 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(=O)Nc2ccccc21 ZINC001354378158 1334259329 /nfs/dbraw/zinc/25/93/29/1334259329.db2.gz BJBDUQPVLQGSDY-UHFFFAOYSA-N 0 0 343.364 2.916 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)Oc2ccc(F)cc2)n1 ZINC001354443773 1334305433 /nfs/dbraw/zinc/30/54/33/1334305433.db2.gz VTEPUHHFTALMOW-NSHDSACASA-N 0 0 333.319 2.635 10 5 EFBERN C/C(=C/C(=O)N1CCC[C@@H]1c1ncon1)c1ccc([N+](=O)[O-])cc1 ZINC000848113243 1334313580 /nfs/dbraw/zinc/31/35/80/1334313580.db2.gz HHTDVAWHCJKYMU-RBJHHQRMSA-N 0 0 328.328 2.745 10 5 EFBERN COc1cccc(OCCC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC001354564131 1334381173 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COc1ccccc1O[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001354662700 1334445331 /nfs/dbraw/zinc/44/53/31/1334445331.db2.gz DLVKZVOKWDCUGV-LBPRGKRZSA-N 0 0 345.355 2.504 10 5 EFBERN CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])c2cc(F)ccc21 ZINC001354707431 1334470726 /nfs/dbraw/zinc/47/07/26/1334470726.db2.gz BNPLQAYPSIUHFV-UHFFFAOYSA-N 0 0 333.294 2.970 10 5 EFBERN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001300704933 1334488511 /nfs/dbraw/zinc/48/85/11/1334488511.db2.gz KAJZVPKZLHISIA-SNVBAGLBSA-N 0 0 341.795 2.556 10 5 EFBERN C/C(=C/C(=O)N[C@H](C1CC1)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000848246931 1334507098 /nfs/dbraw/zinc/50/70/98/1334507098.db2.gz CKEPPJPRJYWMRP-XSLBHYSZSA-N 0 0 332.400 2.911 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001354943319 1334606912 /nfs/dbraw/zinc/60/69/12/1334606912.db2.gz PRBLLKDUTQFGIM-UHFFFAOYSA-N 0 0 341.323 2.795 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H](O)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472901596 1334616313 /nfs/dbraw/zinc/61/63/13/1334616313.db2.gz SBAFMALJZMXXSD-HNNXBMFYSA-N 0 0 341.371 2.639 10 5 EFBERN CC(=O)Nc1cccc(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001355005557 1334646440 /nfs/dbraw/zinc/64/64/40/1334646440.db2.gz ZUCKLWBLELHHIY-UHFFFAOYSA-N 0 0 331.303 2.874 10 5 EFBERN Cc1c(NC(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)cccc1[N+](=O)[O-] ZINC001355015929 1334655063 /nfs/dbraw/zinc/65/50/63/1334655063.db2.gz NVIMHMZGBMQROM-KZULUSFZSA-N 0 0 337.335 2.752 10 5 EFBERN Cc1c(NC(=O)c2cncc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC001355016656 1334655076 /nfs/dbraw/zinc/65/50/76/1334655076.db2.gz WYEIYWAPMCGQLG-UHFFFAOYSA-N 0 0 340.339 2.677 10 5 EFBERN Cc1c(NC(=O)c2ccc(Cn3ccnn3)cc2)cccc1[N+](=O)[O-] ZINC001355015235 1334655132 /nfs/dbraw/zinc/65/51/32/1334655132.db2.gz HZMAMUMALPLFBD-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1c(NC(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)cccc1[N+](=O)[O-] ZINC001355015930 1334655202 /nfs/dbraw/zinc/65/52/02/1334655202.db2.gz NVIMHMZGBMQROM-SGTLLEGYSA-N 0 0 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COc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)c1OC ZINC001441749185 1391413386 /nfs/dbraw/zinc/41/33/86/1391413386.db2.gz VZSFIPTZERZMHU-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001444996276 1391516760 /nfs/dbraw/zinc/51/67/60/1391516760.db2.gz QIDKPLWYBLRSLZ-NEPJUHHUSA-N 0 0 348.309 2.508 10 5 EFBERN CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)CCC1 ZINC001445165315 1391521098 /nfs/dbraw/zinc/52/10/98/1391521098.db2.gz ZDXGQTFVLFMNTP-UHFFFAOYSA-N 0 0 347.400 2.784 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)CCO)cc1 ZINC001446187655 1391548439 /nfs/dbraw/zinc/54/84/39/1391548439.db2.gz VHETWCHEAIGSOP-UHFFFAOYSA-N 0 0 347.346 2.723 10 5 EFBERN Cc1cc(F)cc(C(=O)NCC2(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC001446797596 1391605368 /nfs/dbraw/zinc/60/53/68/1391605368.db2.gz XOIBTYZUHILEON-UHFFFAOYSA-N 0 0 329.331 2.899 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[C@H](O)C(F)(F)F ZINC001446947220 1391644222 /nfs/dbraw/zinc/64/42/22/1391644222.db2.gz NKTKMZTUFPIFFL-LBPRGKRZSA-N 0 0 343.261 2.781 10 5 EFBERN C[C@](O)(CCNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001448109800 1391968637 /nfs/dbraw/zinc/96/86/37/1391968637.db2.gz JYAHARCVVADMAK-KRWDZBQOSA-N 0 0 332.331 2.762 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001448175569 1391996854 /nfs/dbraw/zinc/99/68/54/1391996854.db2.gz HVIGHKCPARHGPP-UHFFFAOYSA-N 0 0 328.324 2.620 10 5 EFBERN Cc1c(N)c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1F ZINC001448230822 1392038557 /nfs/dbraw/zinc/03/85/57/1392038557.db2.gz RXEYYPUNDFBHID-UHFFFAOYSA-N 0 0 331.347 2.939 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](CO)CC1CCCC1 ZINC001448245845 1392046782 /nfs/dbraw/zinc/04/67/82/1392046782.db2.gz KDPKQNIONZCKIS-CYBMUJFWSA-N 0 0 340.807 2.848 10 5 EFBERN C[C@H](CO)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001449032891 1392221396 /nfs/dbraw/zinc/22/13/96/1392221396.db2.gz OJXRASXIMKMVCV-GFCCVEGCSA-N 0 0 332.331 2.757 10 5 EFBERN CN(C)c1nccc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc21 ZINC001449801957 1392383203 /nfs/dbraw/zinc/38/32/03/1392383203.db2.gz QRCRPUQWCJPFCB-UHFFFAOYSA-N 0 0 325.328 2.789 10 5 EFBERN O=C(Nc1cccc2n[nH]nc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001449944776 1392451179 /nfs/dbraw/zinc/45/11/79/1392451179.db2.gz VFGBDOCDOYMHDP-UHFFFAOYSA-N 0 0 338.327 2.693 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc2[nH]cnc2c1 ZINC001449973884 1392466656 /nfs/dbraw/zinc/46/66/56/1392466656.db2.gz BLJHORKCDWAWCR-UHFFFAOYSA-N 0 0 349.350 2.742 10 5 EFBERN Cc1nocc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001450323371 1392572768 /nfs/dbraw/zinc/57/27/68/1392572768.db2.gz POAKXQQWLISPOE-UHFFFAOYSA-N 0 0 344.352 2.945 10 5 EFBERN Nc1c(C(=O)N[C@H](CO)C2CCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001450770256 1392741765 /nfs/dbraw/zinc/74/17/65/1392741765.db2.gz QERQUKOLYBZDIX-OAHLLOKOSA-N 0 0 343.383 2.611 10 5 EFBERN COC(=O)Nc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC001450772211 1392743415 /nfs/dbraw/zinc/74/34/15/1392743415.db2.gz SANJQHJLZWBEDA-UHFFFAOYSA-N 0 0 344.327 2.916 10 5 EFBERN Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001450774265 1392744812 /nfs/dbraw/zinc/74/48/12/1392744812.db2.gz QNWISGJHHGUDFR-UHFFFAOYSA-N 0 0 330.222 2.745 10 5 EFBERN O=C(NC1(c2ccccc2Cl)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001452135192 1392891124 /nfs/dbraw/zinc/89/11/24/1392891124.db2.gz MPOIXJLGMNDQOO-UHFFFAOYSA-N 0 0 333.731 2.768 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC001454360382 1392988196 /nfs/dbraw/zinc/98/81/96/1392988196.db2.gz GONORDSRECROAA-GFCCVEGCSA-N 0 0 327.340 2.512 10 5 EFBERN C[C@](CO)(NC(=O)c1ccc(CF)cc1)c1cccc([N+](=O)[O-])c1 ZINC001454705933 1393093160 /nfs/dbraw/zinc/09/31/60/1393093160.db2.gz CGNRBNSJVBZVEA-QGZVFWFLSA-N 0 0 332.331 2.702 10 5 EFBERN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001454743292 1393107305 /nfs/dbraw/zinc/10/73/05/1393107305.db2.gz MOFOAIDHLQXKRJ-UHFFFAOYSA-N 0 0 327.218 2.920 10 5 EFBERN CC(=O)c1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC001454900781 1394374293 /nfs/dbraw/zinc/37/42/93/1394374293.db2.gz SARLNUWZHIYTMA-UHFFFAOYSA-N 0 0 328.324 2.741 10 5 EFBERN Cc1ccc(CNC(=O)CCC(=O)c2ccccn2)cc1[N+](=O)[O-] ZINC001454902174 1394377795 /nfs/dbraw/zinc/37/77/95/1394377795.db2.gz VJPLEUJOTJSAJB-UHFFFAOYSA-N 0 0 327.340 2.578 10 5 EFBERN Cc1ccc(CNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)cc1[N+](=O)[O-] ZINC001454902482 1394378006 /nfs/dbraw/zinc/37/80/06/1394378006.db2.gz WOGAZNYZIQEGTL-YGRLFVJLSA-N 0 0 328.372 2.609 10 5 EFBERN Nc1nccc(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001454930090 1394410022 /nfs/dbraw/zinc/41/00/22/1394410022.db2.gz ICOKXMVJIQIHDJ-KRWDZBQOSA-N 0 0 344.346 2.673 10 5 EFBERN Cc1cc(C(=O)NCc2cc(=O)c3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC001455046780 1394533527 /nfs/dbraw/zinc/53/35/27/1394533527.db2.gz YFWGHDOADZMGLT-UHFFFAOYSA-N 0 0 337.335 2.675 10 5 EFBERN O=C(CNC(=O)CNc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC001455127220 1394563129 /nfs/dbraw/zinc/56/31/29/1394563129.db2.gz UIFKWRSDWIRPRR-UHFFFAOYSA-N 0 0 333.388 2.662 10 5 EFBERN COc1nscc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001455355699 1394593684 /nfs/dbraw/zinc/59/36/84/1394593684.db2.gz OHEJRSBEMGKHHU-UHFFFAOYSA-N 0 0 329.284 2.790 10 5 EFBERN O=CNc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001456334685 1394669030 /nfs/dbraw/zinc/66/90/30/1394669030.db2.gz QXVYVGLUUYFWIY-JKSUJKDBSA-N 0 0 325.324 2.905 10 5 EFBERN CC(C)c1nc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC001456341118 1394671192 /nfs/dbraw/zinc/67/11/92/1394671192.db2.gz KUOGXFFSCJSDSO-GJZGRUSLSA-N 0 0 328.372 2.861 10 5 EFBERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)NCc1cccc([N+](=O)[O-])c1 ZINC001456453847 1394695571 /nfs/dbraw/zinc/69/55/71/1394695571.db2.gz GUTLZRIZFMFXOT-CYBMUJFWSA-N 0 0 339.351 2.727 10 5 EFBERN O=C(C[C@H]1CC(=O)Nc2ccccc21)NCc1cccc([N+](=O)[O-])c1 ZINC001456453857 1394696078 /nfs/dbraw/zinc/69/60/78/1394696078.db2.gz GUTLZRIZFMFXOT-ZDUSSCGKSA-N 0 0 339.351 2.727 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2OCCc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001456743603 1394786797 /nfs/dbraw/zinc/78/67/97/1394786797.db2.gz MTFMXRCYOHDHHS-INIZCTEOSA-N 0 0 327.340 2.738 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2OCCc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001456743612 1394786973 /nfs/dbraw/zinc/78/69/73/1394786973.db2.gz MTFMXRCYOHDHHS-MRXNPFEDSA-N 0 0 327.340 2.738 10 5 EFBERN COc1ccc(C=O)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001456753990 1394791724 /nfs/dbraw/zinc/79/17/24/1394791724.db2.gz YEDNLEZCDGLCDV-UHFFFAOYSA-N 0 0 329.312 2.559 10 5 EFBERN CCC[C@@H]1CCCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001456802156 1394816592 /nfs/dbraw/zinc/81/65/92/1394816592.db2.gz LLFHIVCSOMKZNP-CYBMUJFWSA-N 0 0 329.360 2.580 10 5 EFBERN Cc1nn(C)c(Cl)c1COC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001456819578 1394820628 /nfs/dbraw/zinc/82/06/28/1394820628.db2.gz MRILPBBSIJAQGL-UHFFFAOYSA-N 0 0 327.699 2.786 10 5 EFBERN O=C(Nc1nc2ccccc2n1-c1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001457019816 1394925303 /nfs/dbraw/zinc/92/53/03/1394925303.db2.gz OTXRJIRFAMCZFW-MEBBXXQBSA-N 0 0 340.314 2.768 10 5 EFBERN COc1cc(OCC(=O)N[C@@H](C)c2ncccc2C)ccc1[N+](=O)[O-] ZINC001457137103 1394995494 /nfs/dbraw/zinc/99/54/94/1394995494.db2.gz LAEXYNWAJWKEIN-LBPRGKRZSA-N 0 0 345.355 2.563 10 5 EFBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC001457173584 1395018846 /nfs/dbraw/zinc/01/88/46/1395018846.db2.gz OCXRSXPGCNMFSO-MRVPVSSYSA-N 0 0 336.323 2.905 10 5 EFBERN Cc1cc(NC(=O)[C@H](C)N2CSCCSC2)cc([N+](=O)[O-])c1 ZINC001457199376 1395028251 /nfs/dbraw/zinc/02/82/51/1395028251.db2.gz MYVHVBVZEPHNTK-NSHDSACASA-N 0 0 341.458 2.927 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCCC[C@@]23CCCOC3)c1[N+](=O)[O-] ZINC001457336127 1395069850 /nfs/dbraw/zinc/06/98/50/1395069850.db2.gz UXEGPZUCLLHVJM-INIZCTEOSA-N 0 0 336.392 2.617 10 5 EFBERN Cn1ccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC001457429782 1395111173 /nfs/dbraw/zinc/11/11/73/1395111173.db2.gz RVFMWQXQVIOAAS-UHFFFAOYSA-N 0 0 336.351 2.925 10 5 EFBERN O=C(Cn1ncc2cccnc21)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001457568922 1395223695 /nfs/dbraw/zinc/22/36/95/1395223695.db2.gz XTOYZHYZWUKSOH-UHFFFAOYSA-N 0 0 348.322 2.526 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1OC ZINC001457984095 1395392726 /nfs/dbraw/zinc/39/27/26/1395392726.db2.gz RQKBSYGRCJDHNO-ZDUSSCGKSA-N 0 0 331.328 2.585 10 5 EFBERN O=c1[nH]ccc(NCc2ccc(Cn3cccn3)cc2)c1[N+](=O)[O-] ZINC001458063621 1395402366 /nfs/dbraw/zinc/40/23/66/1395402366.db2.gz XLUDKDDYRXWRNA-UHFFFAOYSA-N 0 0 325.328 2.552 10 5 EFBERN O=c1[nH]ccc(NCCc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001458084422 1395404293 /nfs/dbraw/zinc/40/42/93/1395404293.db2.gz KLDYJTJKQYKLFO-UHFFFAOYSA-N 0 0 325.328 2.536 10 5 EFBERN CCOc1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1OC ZINC001458112543 1395408273 /nfs/dbraw/zinc/40/82/73/1395408273.db2.gz JAMQFKCRJQJGQY-UHFFFAOYSA-N 0 0 345.355 2.713 10 5 EFBERN COc1cccn2ncc(C(=O)Oc3cc(F)cc([N+](=O)[O-])c3)c12 ZINC001458115258 1395409618 /nfs/dbraw/zinc/40/96/18/1395409618.db2.gz BPFMISNEBGAGLU-UHFFFAOYSA-N 0 0 331.259 2.609 10 5 EFBERN COC(=O)c1ccnc(Oc2cccc([N+](=O)[O-])c2C)c1[N+](=O)[O-] ZINC001458117132 1395409641 /nfs/dbraw/zinc/40/96/41/1395409641.db2.gz UTBHAGVCDPLTQX-UHFFFAOYSA-N 0 0 333.256 2.785 10 5 EFBERN CNS(=O)(=O)c1ccc([C@H](C)Nc2ccsc2[N+](=O)[O-])cc1 ZINC001458122775 1395410120 /nfs/dbraw/zinc/41/01/20/1395410120.db2.gz UNGUPZVDFKKCGE-VIFPVBQESA-N 0 0 341.414 2.738 10 5 EFBERN Cn1nc(Cl)c(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c1Cl ZINC001458120906 1395410490 /nfs/dbraw/zinc/41/04/90/1395410490.db2.gz VXFYNXBQPMUEND-UHFFFAOYSA-N 0 0 334.090 2.993 10 5 EFBERN Cn1cc(CCCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cn1 ZINC001458159310 1395417496 /nfs/dbraw/zinc/41/74/96/1395417496.db2.gz CEAZQLDATLFFIX-UHFFFAOYSA-N 0 0 345.790 2.997 10 5 EFBERN Cc1noc(COc2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)n1 ZINC001458194342 1395423502 /nfs/dbraw/zinc/42/35/02/1395423502.db2.gz JXYVMOQVYPFBEZ-UHFFFAOYSA-N 0 0 343.299 2.709 10 5 EFBERN CCc1cc(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])on1 ZINC001458201217 1395424473 /nfs/dbraw/zinc/42/44/73/1395424473.db2.gz VSXIJGYAXVFLKY-UHFFFAOYSA-N 0 0 328.328 2.736 10 5 EFBERN COC(=O)c1ccc(/C=C\C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC001458225204 1395426931 /nfs/dbraw/zinc/42/69/31/1395426931.db2.gz OLPZUKZRONYQTC-YVMONPNESA-N 0 0 346.295 2.635 10 5 EFBERN COc1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1[N+](=O)[O-] ZINC001458229149 1395428435 /nfs/dbraw/zinc/42/84/35/1395428435.db2.gz YICXTUZAEJSLSG-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN COC(=O)C1(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CCCC1 ZINC001458238574 1395429532 /nfs/dbraw/zinc/42/95/32/1395429532.db2.gz QXUVCXGKVLUBOE-UHFFFAOYSA-N 0 0 337.376 2.922 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(N[C@@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC001458247628 1395431375 /nfs/dbraw/zinc/43/13/75/1395431375.db2.gz XEMGAPNKJTVDLH-GFCCVEGCSA-N 0 0 339.355 2.659 10 5 EFBERN O=C1CN(c2nccc3c2cccc3[N+](=O)[O-])CN1Cc1ccccc1 ZINC001458268894 1395434366 /nfs/dbraw/zinc/43/43/66/1395434366.db2.gz ZZGRJTKDRDPBKV-UHFFFAOYSA-N 0 0 348.362 2.949 10 5 EFBERN CC(C)(CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])C1CCCC1 ZINC001458265684 1395434602 /nfs/dbraw/zinc/43/46/02/1395434602.db2.gz JQOGTEXTXBVXTN-UHFFFAOYSA-N 0 0 349.435 2.850 10 5 EFBERN CO[C@@H]1[C@@H](C)[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1(C)C ZINC001458284935 1395437561 /nfs/dbraw/zinc/43/75/61/1395437561.db2.gz PMPZOHGXNMPCGK-KADJCCMJSA-N 0 0 336.314 2.819 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](C(C)C)C2)cc1C ZINC001458283776 1395437724 /nfs/dbraw/zinc/43/77/24/1395437724.db2.gz VWTXUBJVIQOTFP-INIZCTEOSA-N 0 0 336.388 2.941 10 5 EFBERN Cc1ccc(Oc2ncc([N+](=O)[O-])c(C)n2)c(Br)n1 ZINC001458305730 1395442738 /nfs/dbraw/zinc/44/27/38/1395442738.db2.gz HODUDJMHKKYHMB-UHFFFAOYSA-N 0 0 325.122 2.951 10 5 EFBERN Nc1c(C(=O)Nc2ccc3nncn3c2)cc2ccccc2c1[N+](=O)[O-] ZINC001458314701 1395444629 /nfs/dbraw/zinc/44/46/29/1395444629.db2.gz FSKIFUYGZOWASS-UHFFFAOYSA-N 0 0 348.322 2.625 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H]1Cc2cccc(O)c2C1 ZINC001458325609 1395447221 /nfs/dbraw/zinc/44/72/21/1395447221.db2.gz HDBFCSONOOIMHP-LBPRGKRZSA-N 0 0 339.326 2.989 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CNc3ncc([N+](=O)[O-])cc3F)nc2c1 ZINC001458345613 1395451140 /nfs/dbraw/zinc/45/11/40/1395451140.db2.gz VKULNVJGLJPJIX-UHFFFAOYSA-N 0 0 332.251 2.526 10 5 EFBERN O=C(Nc1cccc(F)c1)OC1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC001458368802 1395454841 /nfs/dbraw/zinc/45/48/41/1395454841.db2.gz QBQAEZUDAHIGMK-UHFFFAOYSA-N 0 0 332.291 2.566 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]([C@H](CO)C1CC1)C1CC1 ZINC001458399314 1395460014 /nfs/dbraw/zinc/46/00/14/1395460014.db2.gz JQWDEKOUYFBRAC-PBHICJAKSA-N 0 0 348.399 2.899 10 5 EFBERN Cc1cc(N2CCc3nc[nH]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458411489 1395462739 /nfs/dbraw/zinc/46/27/39/1395462739.db2.gz BGMMWAAGAVFALZ-UHFFFAOYSA-N 0 0 336.355 2.646 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC001458427223 1395465358 /nfs/dbraw/zinc/46/53/58/1395465358.db2.gz HVQRIPIEYMNWBM-LLVKDONJSA-N 0 0 348.325 2.514 10 5 EFBERN C=COc1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC001458428068 1395465815 /nfs/dbraw/zinc/46/58/15/1395465815.db2.gz KOYXSOHXZSDMJQ-UHFFFAOYSA-N 0 0 335.341 2.508 10 5 EFBERN CC[C@H](OC(=O)Cn1cc([N+](=O)[O-])nc1C)c1cccc([N+](=O)[O-])c1 ZINC001458460324 1395473518 /nfs/dbraw/zinc/47/35/18/1395473518.db2.gz INWXVQUQQQLTFB-ZDUSSCGKSA-N 0 0 348.315 2.702 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H](O)C23CCC3)cc1C ZINC001458487009 1395480852 /nfs/dbraw/zinc/48/08/52/1395480852.db2.gz JYTJNBBREJZOTJ-GJZGRUSLSA-N 0 0 334.372 2.795 10 5 EFBERN CCC(F)(F)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001458489968 1395480996 /nfs/dbraw/zinc/48/09/96/1395480996.db2.gz ORFPTSDWPYLGRY-UHFFFAOYSA-N 0 0 326.259 2.930 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N[C@H](CO)c3ccc(F)cc3F)c2c1 ZINC001458498080 1395482785 /nfs/dbraw/zinc/48/27/85/1395482785.db2.gz UEJJDGFZTHOWLO-OAHLLOKOSA-N 0 0 346.293 2.962 10 5 EFBERN COC(=O)c1cc(CNc2ccc3cnccc3c2[N+](=O)[O-])ccn1 ZINC001458511463 1395485670 /nfs/dbraw/zinc/48/56/70/1395485670.db2.gz CXHAGZRMXDAHCN-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1sccc1[N+](=O)[O-] ZINC001458521940 1395487695 /nfs/dbraw/zinc/48/76/95/1395487695.db2.gz KYDMIINTKKLUNV-UWVGGRQHSA-N 0 0 325.390 2.854 10 5 EFBERN CN(C)c1cncc(Nc2ncc([N+](=O)[O-])cc2Br)c1 ZINC001458520962 1395487949 /nfs/dbraw/zinc/48/79/49/1395487949.db2.gz DTGPCBBJWSJZSQ-UHFFFAOYSA-N 0 0 338.165 2.957 10 5 EFBERN NC(=O)c1cc2cc(Nc3ncnc4cccc([N+](=O)[O-])c43)ccc2[nH]1 ZINC001458523631 1395488311 /nfs/dbraw/zinc/48/83/11/1395488311.db2.gz TWLLTKKLKOALGA-UHFFFAOYSA-N 0 0 348.322 2.862 10 5 EFBERN O=[N+]([O-])c1cnccc1N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC001458549924 1395495750 /nfs/dbraw/zinc/49/57/50/1395495750.db2.gz OHSOGZKMLYKQNI-NILFDRSVSA-N 0 0 346.184 2.924 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3COC4(CCC4)C3)c2c1 ZINC001458554895 1395496634 /nfs/dbraw/zinc/49/66/34/1395496634.db2.gz FMPWXAGAXVLELX-LLVKDONJSA-N 0 0 329.356 2.697 10 5 EFBERN COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)Oc1ccccc1 ZINC001458562518 1395498903 /nfs/dbraw/zinc/49/89/03/1395498903.db2.gz BNOPORASWKTYQU-OAHLLOKOSA-N 0 0 334.303 2.766 10 5 EFBERN Cc1cc(NCC[C@]2(O)C(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC001458565888 1395501421 /nfs/dbraw/zinc/50/14/21/1395501421.db2.gz YCVSXWZMJJLGSY-QGZVFWFLSA-N 0 0 327.340 2.545 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC001458570418 1395503929 /nfs/dbraw/zinc/50/39/29/1395503929.db2.gz RGLXKISJQUGVEA-SNVBAGLBSA-N 0 0 325.727 2.970 10 5 EFBERN Cn1cnnc1[C@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001458573581 1395505586 /nfs/dbraw/zinc/50/55/86/1395505586.db2.gz SODYQIZCFKYCNS-VIFPVBQESA-N 0 0 341.293 2.736 10 5 EFBERN CC[C@@H](OC(=O)Cc1nc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC001458589065 1395512905 /nfs/dbraw/zinc/51/29/05/1395512905.db2.gz PFGQIVVEDUKTKL-CQSZACIVSA-N 0 0 344.371 2.838 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(NC[C@@H](O)c2c(F)cccc2F)cc1F ZINC001458591705 1395514306 /nfs/dbraw/zinc/51/43/06/1395514306.db2.gz IKMLTRDIRBHZIP-CQSZACIVSA-N 0 0 342.273 2.650 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC001458608450 1395521309 /nfs/dbraw/zinc/52/13/09/1395521309.db2.gz PFVLSKFFZUJUSJ-GFCCVEGCSA-N 0 0 349.387 2.846 10 5 EFBERN O=[N+]([O-])c1cnccc1NC1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001458614262 1395522728 /nfs/dbraw/zinc/52/27/28/1395522728.db2.gz BVPJQVULGDAIPI-UHFFFAOYSA-N 0 0 338.289 2.731 10 5 EFBERN CSCc1nc(CNc2ncc([N+](=O)[O-])c3ccccc32)n[nH]1 ZINC001458620041 1395523984 /nfs/dbraw/zinc/52/39/84/1395523984.db2.gz WPIHQWWUEUSMLZ-UHFFFAOYSA-N 0 0 330.373 2.736 10 5 EFBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccn1 ZINC001458623702 1395525038 /nfs/dbraw/zinc/52/50/38/1395525038.db2.gz SJRLMHBHXZPFFR-LBPRGKRZSA-N 0 0 335.385 2.957 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@H](c3nc4c(s3)CCC4)C2)n1 ZINC001458626879 1395526220 /nfs/dbraw/zinc/52/62/20/1395526220.db2.gz SWMRUBDNGPEMTM-JTQLQIEISA-N 0 0 333.417 2.658 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(NCc3nc4c(s3)COCC4)c21 ZINC001458629946 1395527928 /nfs/dbraw/zinc/52/79/28/1395527928.db2.gz JBCQPMKZURADFR-UHFFFAOYSA-N 0 0 343.368 2.679 10 5 EFBERN C[C@H](c1ccccc1)[C@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001458633680 1395530028 /nfs/dbraw/zinc/53/00/28/1395530028.db2.gz QNXJHZWOKYLNDV-IUODEOHRSA-N 0 0 340.383 2.861 10 5 EFBERN Cc1nccnc1[C@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458637233 1395532908 /nfs/dbraw/zinc/53/29/08/1395532908.db2.gz DXTKWDQHDDKPFU-NSHDSACASA-N 0 0 339.355 2.718 10 5 EFBERN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC001458652215 1395541125 /nfs/dbraw/zinc/54/11/25/1395541125.db2.gz CVWRYUFFVKVWRC-ZIAGYGMSSA-N 0 0 337.376 2.641 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC(CO)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001458660388 1395543308 /nfs/dbraw/zinc/54/33/08/1395543308.db2.gz BBEADAXQHVRCMX-UHFFFAOYSA-N 0 0 349.265 2.644 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCCC[C@@H]1O ZINC001458662326 1395543416 /nfs/dbraw/zinc/54/34/16/1395543416.db2.gz FFAHWNJQLHQJJC-SJCJKPOMSA-N 0 0 347.415 2.840 10 5 EFBERN O=[N+]([O-])c1cccnc1NCc1cccc(NS(=O)(=O)C2CC2)c1 ZINC001458680027 1395546914 /nfs/dbraw/zinc/54/69/14/1395546914.db2.gz GXQNFIQHAHKIPJ-UHFFFAOYSA-N 0 0 348.384 2.506 10 5 EFBERN CC(C)Oc1nc(NCc2ccc3nonc3c2)ccc1[N+](=O)[O-] ZINC001458679438 1395546926 /nfs/dbraw/zinc/54/69/26/1395546926.db2.gz FCVDHASZVMXSCN-UHFFFAOYSA-N 0 0 329.316 2.925 10 5 EFBERN COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC001458683278 1395547858 /nfs/dbraw/zinc/54/78/58/1395547858.db2.gz GACQQZZIQSFRJP-NSHDSACASA-N 0 0 325.340 2.910 10 5 EFBERN COC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC001458683274 1395548104 /nfs/dbraw/zinc/54/81/04/1395548104.db2.gz GACQQZZIQSFRJP-LLVKDONJSA-N 0 0 325.340 2.910 10 5 EFBERN Cc1cccnc1[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001458703284 1395555078 /nfs/dbraw/zinc/55/50/78/1395555078.db2.gz OIEXJPWAOJKXBQ-LLVKDONJSA-N 0 0 335.385 2.875 10 5 EFBERN CCCCCCOCC(=O)Oc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC001458737167 1395566612 /nfs/dbraw/zinc/56/66/12/1395566612.db2.gz RMAIAXFZGQJNMZ-UHFFFAOYSA-N 0 0 339.344 2.884 10 5 EFBERN Cc1nn2cccnc2c1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001458806523 1395601327 /nfs/dbraw/zinc/60/13/27/1395601327.db2.gz BJLQDMWTARGNMQ-UHFFFAOYSA-N 0 0 348.322 2.746 10 5 EFBERN Cc1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)nc1Cl ZINC001458893746 1395633912 /nfs/dbraw/zinc/63/39/12/1395633912.db2.gz CTDUYSSADWBSIZ-UHFFFAOYSA-N 0 0 330.731 2.710 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cnnc2)cc1 ZINC001458896448 1395634849 /nfs/dbraw/zinc/63/48/49/1395634849.db2.gz SMRNNDQSKRWRDM-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN Cc1nn(Cc2ccncc2Br)c2ncc([N+](=O)[O-])cc12 ZINC001458968292 1395660219 /nfs/dbraw/zinc/66/02/19/1395660219.db2.gz KGHALWZNLDUYFO-UHFFFAOYSA-N 0 0 348.160 2.854 10 5 EFBERN COCc1cccc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)c1 ZINC001459038974 1395685861 /nfs/dbraw/zinc/68/58/61/1395685861.db2.gz HDFUYOMAZGJTII-UHFFFAOYSA-N 0 0 341.323 2.606 10 5 EFBERN COc1ccc(Cl)cc1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC001459092378 1395706680 /nfs/dbraw/zinc/70/66/80/1395706680.db2.gz DBGSMKUZCQDFPG-UHFFFAOYSA-N 0 0 326.765 2.921 10 5 EFBERN Cc1cc(OCCn2ccc(N)c([N+](=O)[O-])c2=O)ccc1C(C)C ZINC001459166452 1395742588 /nfs/dbraw/zinc/74/25/88/1395742588.db2.gz DFVJWQFKASPNMK-UHFFFAOYSA-N 0 0 331.372 2.850 10 5 EFBERN COC(=O)c1cc(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)cs1 ZINC001459173517 1395746605 /nfs/dbraw/zinc/74/66/05/1395746605.db2.gz AOKBABANHHMNFJ-UHFFFAOYSA-N 0 0 344.352 2.750 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1C(=O)c2ccccc2[C@@H](C)C1=O ZINC001459233546 1395763284 /nfs/dbraw/zinc/76/32/84/1395763284.db2.gz XSRVTKJGVLGMCS-LLVKDONJSA-N 0 0 340.335 2.890 10 5 EFBERN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccn(C)n1 ZINC001459234282 1395764072 /nfs/dbraw/zinc/76/40/72/1395764072.db2.gz BWKUWSOARBPINA-UHFFFAOYSA-N 0 0 337.339 2.667 10 5 EFBERN COc1cc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)ccc1Cl ZINC001459281431 1395786014 /nfs/dbraw/zinc/78/60/14/1395786014.db2.gz IHBSPDWXRQCNFV-UHFFFAOYSA-N 0 0 345.746 2.959 10 5 EFBERN CC(C)c1nc([C@H]2CCCCN2Cc2cn(C)nc2[N+](=O)[O-])no1 ZINC001459605942 1395966008 /nfs/dbraw/zinc/96/60/08/1395966008.db2.gz RGNHUABXJJFVTO-GFCCVEGCSA-N 0 0 334.380 2.562 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c(F)cc(F)c(F)c2F)n1 ZINC001459821333 1395984571 /nfs/dbraw/zinc/98/45/71/1395984571.db2.gz WJOGIHUDOWPJLD-UHFFFAOYSA-N 0 0 343.236 2.785 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cnc(F)cc2C)c(C)c([N+](=O)[O-])c1 ZINC001459814300 1395985237 /nfs/dbraw/zinc/98/52/37/1395985237.db2.gz PHEIOPUGYYFETP-UHFFFAOYSA-N 0 0 347.302 2.785 10 5 EFBERN CCO[C@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C(C)C ZINC001459847409 1395986496 /nfs/dbraw/zinc/98/64/96/1395986496.db2.gz QRUJJJOSBVQFOC-AWEZNQCLSA-N 0 0 338.360 2.689 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[C@H]1CCC[C@]3(CCOC3)O1)CC2 ZINC001459862079 1395987080 /nfs/dbraw/zinc/98/70/80/1395987080.db2.gz KXNPOMJUZCLVQP-CRAIPNDOSA-N 0 0 332.400 2.994 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(N)=O)cc1 ZINC001460014340 1395997462 /nfs/dbraw/zinc/99/74/62/1395997462.db2.gz DOTQXAYSLLRMLH-UHFFFAOYSA-N 0 0 346.364 2.773 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C2CC2)[nH]c1=O ZINC001546113215 1395997662 /nfs/dbraw/zinc/99/76/62/1395997662.db2.gz SQWUTNZITINLOL-UHFFFAOYSA-N 0 0 343.339 2.511 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC001460049450 1396001346 /nfs/dbraw/zinc/00/13/46/1396001346.db2.gz JZDSSDWXMCJBMO-UHFFFAOYSA-N 0 0 342.714 2.528 10 5 EFBERN COCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC001460094838 1396003803 /nfs/dbraw/zinc/00/38/03/1396003803.db2.gz OPCBKAGJWUPJSY-UHFFFAOYSA-N 0 0 344.323 2.617 10 5 EFBERN O=C(NCC1(CF)CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001460191846 1396013046 /nfs/dbraw/zinc/01/30/46/1396013046.db2.gz JLUPKMYPSHDHGF-UHFFFAOYSA-N 0 0 330.743 2.744 10 5 EFBERN NC(=O)c1ccc(CN2Cc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC001460224482 1396013384 /nfs/dbraw/zinc/01/33/84/1396013384.db2.gz RJIIFFFKOYDUFM-UHFFFAOYSA-N 0 0 331.759 2.863 10 5 EFBERN O=C(c1cnc2cc[nH]c2c1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001460262600 1396016779 /nfs/dbraw/zinc/01/67/79/1396016779.db2.gz CXUOROHSVQOYTR-UHFFFAOYSA-N 0 0 326.287 2.813 10 5 EFBERN Cc1ccc(COC(=O)c2cccc3c2NC(=O)CO3)cc1[N+](=O)[O-] ZINC001460286680 1396019991 /nfs/dbraw/zinc/01/99/91/1396019991.db2.gz CIZPMVWOZWSTIV-UHFFFAOYSA-N 0 0 342.307 2.591 10 5 EFBERN CO[C@@](C)(CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001460283238 1396020048 /nfs/dbraw/zinc/02/00/48/1396020048.db2.gz ACBFJLZTZPQLSU-SFHVURJKSA-N 0 0 343.383 2.875 10 5 EFBERN Cc1ccc(COC(=O)CCc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC001460286455 1396020540 /nfs/dbraw/zinc/02/05/40/1396020540.db2.gz AARCLNAQMVNDTG-UHFFFAOYSA-N 0 0 342.351 2.678 10 5 EFBERN COC(=O)[C@H](Cc1ccccc1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC001460312701 1396024746 /nfs/dbraw/zinc/02/47/46/1396024746.db2.gz YWQHPLVJVKTQGK-HNNXBMFYSA-N 0 0 332.331 2.608 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(C(C)=O)cc1 ZINC001546115519 1396025510 /nfs/dbraw/zinc/02/55/10/1396025510.db2.gz IKUVTRIXGBFBTD-UHFFFAOYSA-N 0 0 341.367 2.812 10 5 EFBERN CC(C)(C(=O)Nc1cnc(Cl)cc1Cl)n1cc([N+](=O)[O-])cn1 ZINC001460576424 1396224750 /nfs/dbraw/zinc/22/47/50/1396224750.db2.gz HXRGIQLQPQHXOJ-UHFFFAOYSA-N 0 0 344.158 2.867 10 5 EFBERN COc1cncnc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001460623443 1396238546 /nfs/dbraw/zinc/23/85/46/1396238546.db2.gz WRUAUNLOKIYNHF-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN CC(C)(C)OC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]2C[C@@H]21 ZINC001460905057 1396268448 /nfs/dbraw/zinc/26/84/48/1396268448.db2.gz OZZWKRUGXJICEI-CABCVRRESA-N 0 0 333.388 2.788 10 5 EFBERN Cc1cccc(C(=O)NCc2nccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC001460924505 1396269750 /nfs/dbraw/zinc/26/97/50/1396269750.db2.gz RZRARCPBDCZWGZ-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN Cc1cccnc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460929976 1396269800 /nfs/dbraw/zinc/26/98/00/1396269800.db2.gz DJEOHNQEUDEXSX-QWHCGFSZSA-N 0 0 328.372 2.976 10 5 EFBERN CN(C(=O)CN1C[C@@H](F)C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001460961075 1396274708 /nfs/dbraw/zinc/27/47/08/1396274708.db2.gz AIMIKBWGSHFARZ-CABZTGNLSA-N 0 0 349.284 2.532 10 5 EFBERN CCOc1cncc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC001461123018 1396291166 /nfs/dbraw/zinc/29/11/66/1396291166.db2.gz UDYMRRMTOHGUTO-UHFFFAOYSA-N 0 0 336.735 2.998 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2c(F)cccc2F)CC1 ZINC001461143979 1396293854 /nfs/dbraw/zinc/29/38/54/1396293854.db2.gz MYCWCSUPLFJKAR-UHFFFAOYSA-N 0 0 347.321 2.835 10 5 EFBERN CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccsc1 ZINC001461299964 1396368937 /nfs/dbraw/zinc/36/89/37/1396368937.db2.gz HRBWWLMQUWQKDY-UHFFFAOYSA-N 0 0 329.341 2.514 10 5 EFBERN O=C(Nc1cncc(OCC(F)(F)F)n1)c1csc([N+](=O)[O-])c1 ZINC001461434671 1396379376 /nfs/dbraw/zinc/37/93/76/1396379376.db2.gz CKXHNKHFTNPXQH-UHFFFAOYSA-N 0 0 348.262 2.640 10 5 EFBERN Cc1nn(C)cc1CCC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001461452654 1396381501 /nfs/dbraw/zinc/38/15/01/1396381501.db2.gz KAWSEBMPHCDFOU-UHFFFAOYSA-N 0 0 339.355 2.756 10 5 EFBERN CCO[C@@H](C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC001461450682 1396381635 /nfs/dbraw/zinc/38/16/35/1396381635.db2.gz DXUPDGUIDVUEKM-SWLSCSKDSA-N 0 0 345.355 2.523 10 5 EFBERN CCOc1cc(NC(=O)CCc2ccc(OC)nc2)ccc1[N+](=O)[O-] ZINC001461477146 1396382392 /nfs/dbraw/zinc/38/23/92/1396382392.db2.gz PEMOEINBHDVZHV-UHFFFAOYSA-N 0 0 345.355 2.968 10 5 EFBERN C[C@@H](COc1c(F)cccc1F)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001461478454 1396382669 /nfs/dbraw/zinc/38/26/69/1396382669.db2.gz JLKLRCMAPRARJP-QMMMGPOBSA-N 0 0 326.255 2.663 10 5 EFBERN C[C@@H]1CCn2cc(C(=O)Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2C1 ZINC001461504420 1396385005 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C[C@@H](NC(=O)c1c2c(ccc1F)OCO2)c1ccccc1[N+](=O)[O-] ZINC001462583399 1396443686 /nfs/dbraw/zinc/44/36/86/1396443686.db2.gz VTUWFINFBBNRHE-SECBINFHSA-N 0 0 332.287 2.954 10 5 EFBERN COc1cc(C(=O)NCc2cc(C3CC3)no2)c([N+](=O)[O-])cc1F ZINC001462709974 1396448561 /nfs/dbraw/zinc/44/85/61/1396448561.db2.gz NHKURLCOVMTCRO-UHFFFAOYSA-N 0 0 335.291 2.538 10 5 EFBERN COc1ccc(CC(=O)Nc2cccc(OC)c2OC)cc1[N+](=O)[O-] ZINC001462744643 1396451364 /nfs/dbraw/zinc/45/13/64/1396451364.db2.gz OWKHZJMKEDCNKQ-UHFFFAOYSA-N 0 0 346.339 2.802 10 5 EFBERN COC(=O)c1coc(/C=C/C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001462747211 1396451580 /nfs/dbraw/zinc/45/15/80/1396451580.db2.gz PQNCAFUCFIEMGB-AEZGRPFRSA-N 0 0 344.323 2.865 10 5 EFBERN CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC001462775011 1396452869 /nfs/dbraw/zinc/45/28/69/1396452869.db2.gz BQYKWOKROBHIBS-UHFFFAOYSA-N 0 0 341.367 2.686 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001462906404 1396460581 /nfs/dbraw/zinc/46/05/81/1396460581.db2.gz LVDZUZLLLSDPFI-QWHCGFSZSA-N 0 0 345.380 2.758 10 5 EFBERN O=C(NCc1cccc2c1OCC2)c1cc(F)c([N+](=O)[O-])cc1F ZINC001462989030 1396464764 /nfs/dbraw/zinc/46/47/64/1396464764.db2.gz WHDSVELOKPNGIU-UHFFFAOYSA-N 0 0 334.278 2.738 10 5 EFBERN COc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc2ccccc21 ZINC001462989169 1396465202 /nfs/dbraw/zinc/46/52/02/1396465202.db2.gz FHKGWCMUPXUWBQ-UHFFFAOYSA-N 0 0 326.312 2.742 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC001463027142 1396467305 /nfs/dbraw/zinc/46/73/05/1396467305.db2.gz NZHAYRXWSOGTQM-UHFFFAOYSA-N 0 0 325.280 2.692 10 5 EFBERN CCOC(=O)c1cn(C)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC001463048239 1396469835 /nfs/dbraw/zinc/46/98/35/1396469835.db2.gz OLEWAUXMGKMAOB-UHFFFAOYSA-N 0 0 349.318 2.810 10 5 EFBERN COc1cccc(F)c1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001463086378 1396471661 /nfs/dbraw/zinc/47/16/61/1396471661.db2.gz JVBFCLCSMPHYCJ-UHFFFAOYSA-N 0 0 340.257 2.951 10 5 EFBERN C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001463090550 1396472949 /nfs/dbraw/zinc/47/29/49/1396472949.db2.gz PPBYPRCORKENBP-BXUZGUMPSA-N 0 0 345.355 2.968 10 5 EFBERN CC(C)(C)[C@@H]1CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001463431183 1396492543 /nfs/dbraw/zinc/49/25/43/1396492543.db2.gz AXDKSGDBJZPNMI-GJZGRUSLSA-N 0 0 331.372 2.735 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cn(C)nc2C(F)F)c1 ZINC001463494786 1396496113 /nfs/dbraw/zinc/49/61/13/1396496113.db2.gz CMAUHKOKFLBMTR-UHFFFAOYSA-N 0 0 326.259 2.527 10 5 EFBERN COc1cccc([S@@](=O)CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001463567969 1396502954 /nfs/dbraw/zinc/50/29/54/1396502954.db2.gz RVZZMBYMEHOTSI-DEOSSOPVSA-N 0 0 348.380 2.658 10 5 EFBERN O=C(Nc1nc2ccccc2s1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001463746538 1396518536 /nfs/dbraw/zinc/51/85/36/1396518536.db2.gz UOGDOVYBHAJXAZ-CYBMUJFWSA-N 0 0 329.337 2.877 10 5 EFBERN Cc1cccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001463802754 1396522117 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CC[C@@H](c1ccncc1)N(CC)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001465298276 1396667317 /nfs/dbraw/zinc/66/73/17/1396667317.db2.gz ZJXHJNDERLLZFW-ZDUSSCGKSA-N 0 0 329.360 2.580 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccc(F)c(C)c2N)cc([N+](=O)[O-])c1 ZINC001465395452 1396676733 /nfs/dbraw/zinc/67/67/33/1396676733.db2.gz ZFBIIXVJXPTLEC-UHFFFAOYSA-N 0 0 347.302 2.663 10 5 EFBERN CCC[C@@](C)(O)CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001465426326 1396679519 /nfs/dbraw/zinc/67/95/19/1396679519.db2.gz IUHCHZBUMSUECD-GOSISDBHSA-N 0 0 343.383 2.938 10 5 EFBERN CC(C)(C)Oc1ccccc1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001465471002 1396685574 /nfs/dbraw/zinc/68/55/74/1396685574.db2.gz VQSFHUFZZKMXRF-UHFFFAOYSA-N 0 0 345.355 2.803 10 5 EFBERN Nc1c2cccnc2sc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001465563397 1396691936 /nfs/dbraw/zinc/69/19/36/1396691936.db2.gz RHLRIKVFVXXTFE-UHFFFAOYSA-N 0 0 340.364 2.943 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(F)ccc1NC(C)C ZINC001465620201 1396697006 /nfs/dbraw/zinc/69/70/06/1396697006.db2.gz KZUKIFDEMBEGJI-UHFFFAOYSA-N 0 0 335.339 2.698 10 5 EFBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1F ZINC001465625731 1396698076 /nfs/dbraw/zinc/69/80/76/1396698076.db2.gz FUQIWVSKMBOUDT-VIFPVBQESA-N 0 0 333.319 2.816 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC001465762731 1396709421 /nfs/dbraw/zinc/70/94/21/1396709421.db2.gz ZMCOKQXVMYCXCT-QMTHXVAHSA-N 0 0 336.319 2.877 10 5 EFBERN CC[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F ZINC001465914931 1396722788 /nfs/dbraw/zinc/72/27/88/1396722788.db2.gz CEUSFWQLROQDEW-HOCLYGCPSA-N 0 0 347.346 2.558 10 5 EFBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC001465923680 1396723945 /nfs/dbraw/zinc/72/39/45/1396723945.db2.gz HNGGLIFNRDSODC-RFAUZJTJSA-N 0 0 336.294 2.725 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC001466003847 1396730845 /nfs/dbraw/zinc/73/08/45/1396730845.db2.gz JNOUHEABHNHXTI-MEDUHNTESA-N 0 0 346.362 2.962 10 5 EFBERN COc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)sn1 ZINC001466056612 1396734602 /nfs/dbraw/zinc/73/46/02/1396734602.db2.gz PORQHQPNDSPXEE-UHFFFAOYSA-N 0 0 327.749 2.643 10 5 EFBERN O=C(Nc1ccccc1-c1cn[nH]c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001466329838 1396748883 /nfs/dbraw/zinc/74/88/83/1396748883.db2.gz GXRWOQZAFSHLMB-UHFFFAOYSA-N 0 0 332.707 2.614 10 5 EFBERN CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001466393790 1396752023 /nfs/dbraw/zinc/75/20/23/1396752023.db2.gz SNCHHZBDRZBCTO-UHFFFAOYSA-N 0 0 343.383 2.590 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCC1(c2ccccn2)CC1 ZINC001466387323 1396752068 /nfs/dbraw/zinc/75/20/68/1396752068.db2.gz MWQLLWBJIPGSKT-UHFFFAOYSA-N 0 0 341.367 2.607 10 5 EFBERN CN(C)c1ccnc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001466379637 1396752210 /nfs/dbraw/zinc/75/22/10/1396752210.db2.gz VWMAZDHYAQHKOP-UHFFFAOYSA-N 0 0 335.751 2.544 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC001466623348 1396766616 /nfs/dbraw/zinc/76/66/16/1396766616.db2.gz GZQIQEQBLBCSHX-AWEZNQCLSA-N 0 0 326.368 2.815 10 5 EFBERN C[NH+](C)CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001466629069 1396766902 /nfs/dbraw/zinc/76/69/02/1396766902.db2.gz PQQWWQGJSNKWIV-UHFFFAOYSA-N 0 0 329.356 2.657 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncc2c(F)cccn21 ZINC001466636962 1396767502 /nfs/dbraw/zinc/76/75/02/1396767502.db2.gz ZADOGZMGEHLIHC-UHFFFAOYSA-N 0 0 340.274 2.510 10 5 EFBERN Cc1ccc(-c2ncco2)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001466648428 1396768430 /nfs/dbraw/zinc/76/84/30/1396768430.db2.gz KVYAHBLAVOQTBX-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN O=C(NCc1nc(-c2ccccc2)no1)c1cc(F)ccc1[N+](=O)[O-] ZINC001466760525 1396782122 /nfs/dbraw/zinc/78/21/22/1396782122.db2.gz NHODYDHMEOZMAO-UHFFFAOYSA-N 0 0 342.286 2.714 10 5 EFBERN CC(=O)Nc1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])nc1 ZINC001466814560 1396787309 /nfs/dbraw/zinc/78/73/09/1396787309.db2.gz RSHSNDBTRUGHMR-UHFFFAOYSA-N 0 0 346.318 2.659 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1O ZINC001466875960 1396793093 /nfs/dbraw/zinc/79/30/93/1396793093.db2.gz BWCFJSYMBTZZBA-UHFFFAOYSA-N 0 0 348.286 2.787 10 5 EFBERN Cc1c(CNC(=O)c2conc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC001466893831 1396795460 /nfs/dbraw/zinc/79/54/60/1396795460.db2.gz KNQVIUNTQVMGMD-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN Cc1ccc2c(CCNC(=O)c3ccc([N+](=O)[O-])cc3N)c[nH]c2c1 ZINC001467254382 1396831390 /nfs/dbraw/zinc/83/13/90/1396831390.db2.gz SMWIVTCFGFJQIF-UHFFFAOYSA-N 0 0 338.367 2.939 10 5 EFBERN CNc1nccc(C(=O)NCc2ccc(Cl)cc2F)c1[N+](=O)[O-] ZINC001467316142 1396839716 /nfs/dbraw/zinc/83/97/16/1396839716.db2.gz DFJNTXGUBKMIRC-UHFFFAOYSA-N 0 0 338.726 2.754 10 5 EFBERN CC(C)c1oncc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001467560818 1396871197 /nfs/dbraw/zinc/87/11/97/1396871197.db2.gz IYDPMEUNXBTNOI-UHFFFAOYSA-N 0 0 329.316 2.513 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001467587690 1396873937 /nfs/dbraw/zinc/87/39/37/1396873937.db2.gz NBAQNBHDJGIESE-NWDGAFQWSA-N 0 0 332.747 2.511 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Oc1ccc2c(c1)CC(=O)N2 ZINC001467645933 1396879972 /nfs/dbraw/zinc/87/99/72/1396879972.db2.gz RSMIEODMWVQPLU-UHFFFAOYSA-N 0 0 326.308 2.925 10 5 EFBERN O=C(Cc1ccc(O)c(Cl)c1)NCCc1ccccc1[N+](=O)[O-] ZINC001467661307 1396882396 /nfs/dbraw/zinc/88/23/96/1396882396.db2.gz KTYHNUGUJHRIEC-UHFFFAOYSA-N 0 0 334.759 2.855 10 5 EFBERN COc1cccc(C(=O)N2CCC=C(c3cccnc3)C2)c1[N+](=O)[O-] ZINC001467813994 1396900033 /nfs/dbraw/zinc/90/00/33/1396900033.db2.gz BYDXBCDUBNJJMW-UHFFFAOYSA-N 0 0 339.351 2.928 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2ccncc2)C1 ZINC001467863817 1396904662 /nfs/dbraw/zinc/90/46/62/1396904662.db2.gz MOZXUONBFNWKOY-CYBMUJFWSA-N 0 0 326.356 2.592 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)Cc2ccccc2)cc1Cl ZINC001467868449 1396904768 /nfs/dbraw/zinc/90/47/68/1396904768.db2.gz DGNNVCXURKVCSQ-CYBMUJFWSA-N 0 0 348.786 2.890 10 5 EFBERN CC(C)(CO)ONC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001468166594 1396929701 /nfs/dbraw/zinc/92/97/01/1396929701.db2.gz KPJIHRHKADPMCO-UHFFFAOYSA-N 0 0 345.355 2.771 10 5 EFBERN CON(C(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@@H](C)c1csc(C)n1 ZINC001468165854 1396930154 /nfs/dbraw/zinc/93/01/54/1396930154.db2.gz AVYUYMCPCCWGOZ-VIFPVBQESA-N 0 0 336.373 2.828 10 5 EFBERN CC1(C)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@@H]1c1cccnc1 ZINC001468324149 1396945352 /nfs/dbraw/zinc/94/53/52/1396945352.db2.gz HTELTUGASFFBEC-LLVKDONJSA-N 0 0 335.751 2.590 10 5 EFBERN CC(=O)c1cccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1O ZINC001468602296 1396970499 /nfs/dbraw/zinc/97/04/99/1396970499.db2.gz SXLCZFJIMVGUBN-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001468633734 1396974711 /nfs/dbraw/zinc/97/47/11/1396974711.db2.gz HOXDFZPHPBTFSO-ZCFIWIBFSA-N 0 0 344.158 2.643 10 5 EFBERN COc1cccc2[nH]c(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc21 ZINC001468693672 1396980420 /nfs/dbraw/zinc/98/04/20/1396980420.db2.gz KGARDWGDTQAXSL-UHFFFAOYSA-N 0 0 326.312 2.919 10 5 EFBERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001468694236 1396980452 /nfs/dbraw/zinc/98/04/52/1396980452.db2.gz OYAJCNATZMENOB-UONOGXRCSA-N 0 0 327.340 2.928 10 5 EFBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001468970334 1396995697 /nfs/dbraw/zinc/99/56/97/1396995697.db2.gz NDZMXFCZGJIPJQ-JTQLQIEISA-N 0 0 343.339 2.706 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)c2c(F)cccc2F)c1 ZINC001469243454 1397014931 /nfs/dbraw/zinc/01/49/31/1397014931.db2.gz HNJXHNWKSCRZLN-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2cccc(C)n12 ZINC001469379442 1397027703 /nfs/dbraw/zinc/02/77/03/1397027703.db2.gz NIBUOURTNQAVON-UHFFFAOYSA-N 0 0 325.328 2.845 10 5 EFBERN CC(C)c1nc([C@H](CO)NC(=O)Cc2ccccc2[N+](=O)[O-])cs1 ZINC001469597801 1397041511 /nfs/dbraw/zinc/04/15/11/1397041511.db2.gz OSRVYFMAZVTAMP-LBPRGKRZSA-N 0 0 349.412 2.567 10 5 EFBERN O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001469605403 1397041759 /nfs/dbraw/zinc/04/17/59/1397041759.db2.gz LXJRXKYXUXSSFI-XWIASGKRSA-N 0 0 344.289 2.911 10 5 EFBERN CC[C@H](O)[C@@H]1CCCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001469616499 1397044641 /nfs/dbraw/zinc/04/46/41/1397044641.db2.gz TYIVDXYEMGHKNK-AAEUAGOBSA-N 0 0 341.795 2.596 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001469625291 1397045791 /nfs/dbraw/zinc/04/57/91/1397045791.db2.gz SYEXHHBCHGLGEE-INIZCTEOSA-N 0 0 338.367 2.939 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC001469750732 1397052617 /nfs/dbraw/zinc/05/26/17/1397052617.db2.gz BMGCIMZSFYCIGZ-PIGZYNQJSA-N 0 0 332.331 2.760 10 5 EFBERN CN(CC(=O)Nc1cncc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC001470099021 1397073155 /nfs/dbraw/zinc/07/31/55/1397073155.db2.gz SHQRGCUXRAPPGW-UHFFFAOYSA-N 0 0 340.383 2.944 10 5 EFBERN Cc1nc(-c2ccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)cc2)co1 ZINC001470307302 1397084399 /nfs/dbraw/zinc/08/43/99/1397084399.db2.gz VRQYYQBCTOVQQA-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001470470721 1397091780 /nfs/dbraw/zinc/09/17/80/1397091780.db2.gz GCLBBCNCBWCTOR-UHFFFAOYSA-N 0 0 339.273 2.838 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001470521946 1397096468 /nfs/dbraw/zinc/09/64/68/1397096468.db2.gz MAKZKSNFNLUECG-MXTOPGHLSA-N 0 0 326.352 2.846 10 5 EFBERN C[C@H](O)[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001470521948 1397096677 /nfs/dbraw/zinc/09/66/77/1397096677.db2.gz MAKZKSNFNLUECG-QSNCDBEISA-N 0 0 326.352 2.846 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2cc[nH]c(=O)c21 ZINC001470617228 1397103395 /nfs/dbraw/zinc/10/33/95/1397103395.db2.gz IRFOUGBLWKFWLL-UHFFFAOYSA-N 0 0 347.758 2.871 10 5 EFBERN Cc1nn(C)c(N2CCC2)c1NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001470667660 1397108479 /nfs/dbraw/zinc/10/84/79/1397108479.db2.gz UQINXGLCEGNVAE-UHFFFAOYSA-N 0 0 347.350 2.547 10 5 EFBERN COc1ccc(F)c(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001470878895 1397129273 /nfs/dbraw/zinc/12/92/73/1397129273.db2.gz QNSQJVAISVQVBZ-UHFFFAOYSA-N 0 0 345.330 2.968 10 5 EFBERN C/C(=C\c1ccco1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001471122090 1397142787 /nfs/dbraw/zinc/14/27/87/1397142787.db2.gz BRBVECDSSFSJLT-KQPPXVQYSA-N 0 0 330.340 2.615 10 5 EFBERN CCCOc1ccccc1C(=O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC001471225723 1397152073 /nfs/dbraw/zinc/15/20/73/1397152073.db2.gz BHRWEJLTUMWJHJ-UHFFFAOYSA-N 0 0 342.351 2.996 10 5 EFBERN CC[C@H](C[C@H](C)O)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001471294427 1397157197 /nfs/dbraw/zinc/15/71/97/1397157197.db2.gz CFELJUQCJSCXCP-CMPLNLGQSA-N 0 0 349.412 2.998 10 5 EFBERN CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001471321768 1397159896 /nfs/dbraw/zinc/15/98/96/1397159896.db2.gz OAMPESCUCGRYAE-TZMCWYRMSA-N 0 0 349.387 2.641 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001471328326 1397160722 /nfs/dbraw/zinc/16/07/22/1397160722.db2.gz RLYDORJOHKRZHI-RYUDHWBXSA-N 0 0 339.392 2.743 10 5 EFBERN CC1(C)COc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2NC1=O ZINC001471333509 1397161034 /nfs/dbraw/zinc/16/10/34/1397161034.db2.gz YNJBCAAUKXOTOS-UHFFFAOYSA-N 0 0 344.327 2.532 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](CO)CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001471466416 1397174601 /nfs/dbraw/zinc/17/46/01/1397174601.db2.gz VYWXWASKBUOAGZ-CHWSQXEVSA-N 0 0 337.420 2.795 10 5 EFBERN Cc1c[nH]c(C2(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC001471476629 1397176179 /nfs/dbraw/zinc/17/61/79/1397176179.db2.gz AVKPICHPZRQVGT-CABCVRRESA-N 0 0 340.383 2.925 10 5 EFBERN O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001471503391 1397179045 /nfs/dbraw/zinc/17/90/45/1397179045.db2.gz LJPJLDZDNZNEII-MWLCHTKSSA-N 0 0 338.726 2.727 10 5 EFBERN COc1ccc(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1O ZINC001471694021 1397198436 /nfs/dbraw/zinc/19/84/36/1397198436.db2.gz NADRYGHPRPMVTE-UITAMQMPSA-N 0 0 342.351 2.681 10 5 EFBERN Cc1cccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001471695220 1397199574 /nfs/dbraw/zinc/19/95/74/1397199574.db2.gz RZYLKCXLWONJJO-AWEZNQCLSA-N 0 0 348.786 2.890 10 5 EFBERN C[C@@H](NC(=O)c1cc2cc[nH]c(=O)c2s1)c1ccccc1[N+](=O)[O-] ZINC001471702725 1397200194 /nfs/dbraw/zinc/20/01/94/1397200194.db2.gz UUCAJCRITUZFFW-SECBINFHSA-N 0 0 343.364 2.989 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC[C@H](c3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC001471720245 1397200961 /nfs/dbraw/zinc/20/09/61/1397200961.db2.gz UQMNLAOUUULGJB-JTQLQIEISA-N 0 0 349.416 2.665 10 5 EFBERN Cc1csc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)n1 ZINC001471720038 1397201414 /nfs/dbraw/zinc/20/14/14/1397201414.db2.gz RRHWUQIGSSTINQ-SNVBAGLBSA-N 0 0 332.385 2.572 10 5 EFBERN O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1cc(F)ccc1[N+](=O)[O-] ZINC001471829891 1397212638 /nfs/dbraw/zinc/21/26/38/1397212638.db2.gz ANCJNAUQZXTAPC-SWLSCSKDSA-N 0 0 334.278 2.936 10 5 EFBERN O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1cc(F)ccc1[N+](=O)[O-] ZINC001471829888 1397212851 /nfs/dbraw/zinc/21/28/51/1397212851.db2.gz ANCJNAUQZXTAPC-DOMZBBRYSA-N 0 0 334.278 2.936 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2cnc3[nH]ccc3c2C)c1[N+](=O)[O-] ZINC001472019889 1397234575 /nfs/dbraw/zinc/23/45/75/1397234575.db2.gz GOCKPMDMYUYWSD-UHFFFAOYSA-N 0 0 328.332 2.659 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@]2(C)CCOc3ccccc32)c1[N+](=O)[O-] ZINC001472034439 1397237374 /nfs/dbraw/zinc/23/73/74/1397237374.db2.gz DFBKEHONSNTDIV-KRWDZBQOSA-N 0 0 344.371 2.869 10 5 EFBERN O=C(NCc1nc2c([nH]1)CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC001472064301 1397242648 /nfs/dbraw/zinc/24/26/48/1397242648.db2.gz JWBDHWHJSUUTPY-UHFFFAOYSA-N 0 0 334.763 2.780 10 5 EFBERN COc1c(F)nccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001472267774 1397254605 /nfs/dbraw/zinc/25/46/05/1397254605.db2.gz SAJXGMGVWYFUER-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN Cc1nn(Cc2cccc([N+](=O)[O-])c2Br)cc1[N+](=O)[O-] ZINC001473039646 1397279322 /nfs/dbraw/zinc/27/93/22/1397279322.db2.gz QRDAYIGJRNOXTE-UHFFFAOYSA-N 0 0 341.121 2.819 10 5 EFBERN COC(=O)c1c(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)nc1C ZINC001472309756 1397255992 /nfs/dbraw/zinc/25/59/92/1397255992.db2.gz IWHBNYQZDHTLFM-UHFFFAOYSA-N 0 0 347.302 2.785 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2cc(O)ccc2C1 ZINC001472419104 1397258868 /nfs/dbraw/zinc/25/88/68/1397258868.db2.gz UOELCXULXIULAO-UHFFFAOYSA-N 0 0 337.335 2.980 10 5 EFBERN CN(C)C(=O)c1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001472649401 1397265724 /nfs/dbraw/zinc/26/57/24/1397265724.db2.gz FHDQKSHOEZVHTQ-UHFFFAOYSA-N 0 0 347.346 2.540 10 5 EFBERN Cc1cc(NC(=O)CN(C)c2ccc3cnccc3c2[N+](=O)[O-])no1 ZINC001472656546 1397266449 /nfs/dbraw/zinc/26/64/49/1397266449.db2.gz SZSKMSZGBZTEOQ-UHFFFAOYSA-N 0 0 341.327 2.514 10 5 EFBERN CN(c1nc2ccc([N+](=O)[O-])cc2s1)C1CCS(=O)CC1 ZINC001472719426 1397267191 /nfs/dbraw/zinc/26/71/91/1397267191.db2.gz IMJMCKXYIBSIEX-UHFFFAOYSA-N 0 0 325.415 2.552 10 5 EFBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1noc(C)n1 ZINC001472718416 1397267221 /nfs/dbraw/zinc/26/72/21/1397267221.db2.gz ANQLAVXBSSVSIS-ZCFIWIBFSA-N 0 0 334.258 2.602 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3ccn4ccnc4c3)c2c1 ZINC001472728921 1397268040 /nfs/dbraw/zinc/26/80/40/1397268040.db2.gz OBPXPKYKRFVXJS-UHFFFAOYSA-N 0 0 349.350 2.833 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@H]1CCc2n[nH]cc2C1 ZINC001472734780 1397268791 /nfs/dbraw/zinc/26/87/91/1397268791.db2.gz BFNBCVJVDPRSNY-NSHDSACASA-N 0 0 343.774 2.911 10 5 EFBERN Cc1sccc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001472955778 1397273173 /nfs/dbraw/zinc/27/31/73/1397273173.db2.gz BOOBFSGOZAVLKX-UHFFFAOYSA-N 0 0 345.424 2.923 10 5 EFBERN O=C(CCc1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001472961252 1397274041 /nfs/dbraw/zinc/27/40/41/1397274041.db2.gz UDFWWNOCEMITDY-UHFFFAOYSA-N 0 0 326.308 2.705 10 5 EFBERN CC(=O)Nc1nnc(SCc2ccc(F)cc2[N+](=O)[O-])s1 ZINC001472988714 1397276615 /nfs/dbraw/zinc/27/66/15/1397276615.db2.gz KBWURWUPRIHKPS-UHFFFAOYSA-N 0 0 328.350 2.836 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCOC1CCCCC1 ZINC001473007705 1397277034 /nfs/dbraw/zinc/27/70/34/1397277034.db2.gz QUPUFZMYXHTGKT-UHFFFAOYSA-N 0 0 333.344 2.761 10 5 EFBERN Cc1ccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)nc1Cl ZINC001473029290 1397278426 /nfs/dbraw/zinc/27/84/26/1397278426.db2.gz JBOUJKUWLAVINN-UHFFFAOYSA-N 0 0 336.760 2.771 10 5 EFBERN Cc1ccc(CSc2nc3c(cnn3C)c(=O)[nH]2)cc1[N+](=O)[O-] ZINC001473059548 1397279641 /nfs/dbraw/zinc/27/96/41/1397279641.db2.gz RMUKJAVEXPBUPC-UHFFFAOYSA-N 0 0 331.357 2.578 10 5 EFBERN COc1cccc(Cn2nc([N+](=O)[O-])nc2Br)c1Cl ZINC001473076693 1397281017 /nfs/dbraw/zinc/28/10/17/1397281017.db2.gz PRILENNINSJZGH-UHFFFAOYSA-N 0 0 347.556 2.659 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnn(C[C@@H]2CCCC23CCOCC3)n1 ZINC001473095100 1397281923 /nfs/dbraw/zinc/28/19/23/1397281923.db2.gz ARAOFKFDJHLOMG-ZDUSSCGKSA-N 0 0 343.387 2.845 10 5 EFBERN CCCN(CCO)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001473106080 1397283696 /nfs/dbraw/zinc/28/36/96/1397283696.db2.gz RDJQONVJHKFAKY-UHFFFAOYSA-N 0 0 340.767 2.503 10 5 EFBERN CC(C)(C)OC(=O)N1CC=CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473673283 1397320134 /nfs/dbraw/zinc/32/01/34/1397320134.db2.gz GWENKTZOFFVYJO-UHFFFAOYSA-N 0 0 349.387 2.998 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001473805234 1397333806 /nfs/dbraw/zinc/33/38/06/1397333806.db2.gz XWXSXKDLDSZQIC-CYBMUJFWSA-N 0 0 343.343 2.673 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ncccc1C ZINC001473880389 1397343791 /nfs/dbraw/zinc/34/37/91/1397343791.db2.gz YJAFFQOWFKINGG-GFCCVEGCSA-N 0 0 344.371 2.596 10 5 EFBERN Cc1ccc(N(C)CCNC(=O)CCc2cscn2)c([N+](=O)[O-])c1 ZINC001478256756 1397569992 /nfs/dbraw/zinc/56/99/92/1397569992.db2.gz CRRIUGQSPYNLLE-UHFFFAOYSA-N 0 0 348.428 2.545 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C2(C)CC(F)(F)C2)c1 ZINC001478260763 1397570515 /nfs/dbraw/zinc/57/05/15/1397570515.db2.gz RBBQVLRXUFVHCY-UHFFFAOYSA-N 0 0 341.358 2.891 10 5 EFBERN Cc1cc(N(C)CCNC(=O)CCC2CCOCC2)ccc1[N+](=O)[O-] ZINC001478264746 1397571892 /nfs/dbraw/zinc/57/18/92/1397571892.db2.gz MASDGZORQCZNSS-UHFFFAOYSA-N 0 0 349.431 2.662 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C2 ZINC001478561183 1397584233 /nfs/dbraw/zinc/58/42/33/1397584233.db2.gz DWDVAIVNUZMKEJ-XJKSGUPXSA-N 0 0 335.429 2.532 10 5 EFBERN COc1cc(CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC001479084204 1397608333 /nfs/dbraw/zinc/60/83/33/1397608333.db2.gz ONXZQXCAURFJCD-LBPRGKRZSA-N 0 0 344.371 2.601 10 5 EFBERN CC(C)(NC(=O)N[C@H]1CCCn2nccc21)c1ccccc1[N+](=O)[O-] ZINC001479174202 1397615329 /nfs/dbraw/zinc/61/53/29/1397615329.db2.gz ZBUDWTSKQUHOLJ-ZDUSSCGKSA-N 0 0 343.387 2.861 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001479550661 1397755135 /nfs/dbraw/zinc/75/51/35/1397755135.db2.gz KLEKICWRWFLVJV-KNXALSJPSA-N 0 0 331.372 2.556 10 5 EFBERN CCCN(CCNC(=O)c1cccnc1)Cc1csc([N+](=O)[O-])c1 ZINC001493268689 1398575980 /nfs/dbraw/zinc/57/59/80/1398575980.db2.gz DCTJRFAGXZNBTH-UHFFFAOYSA-N 0 0 348.428 2.693 10 5 EFBERN CCCN(CCNC(=O)c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC001493268537 1398576281 /nfs/dbraw/zinc/57/62/81/1398576281.db2.gz BVHAABJZBGHHNE-UHFFFAOYSA-N 0 0 342.399 2.632 10 5 EFBERN CCC(CC)CC(=O)NC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001494473071 1399339763 /nfs/dbraw/zinc/33/97/63/1399339763.db2.gz AVFHNQRZKYGVIQ-UHFFFAOYSA-N 0 0 325.434 2.783 10 5 EFBERN Cc1ccc(CC(=O)NC/C=C/CNCc2csc([N+](=O)[O-])c2)o1 ZINC001497563359 1401460436 /nfs/dbraw/zinc/46/04/36/1401460436.db2.gz QYNCVJQUCOPSAR-NSCUHMNNSA-N 0 0 349.412 2.562 10 5 EFBERN CC1(C(=O)NC/C=C\CNCc2csc([N+](=O)[O-])c2)CCCC1 ZINC001497644606 1401517024 /nfs/dbraw/zinc/51/70/24/1401517024.db2.gz OUQHUVQOLGJIHN-PLNGDYQASA-N 0 0 337.445 2.999 10 5 EFBERN CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOCC1 ZINC001500316220 1403049651 /nfs/dbraw/zinc/04/96/51/1403049651.db2.gz GYPMNQFYVKRWMA-UHFFFAOYSA-N 0 0 345.403 2.880 10 5 EFBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1OCC[C@H]1C ZINC001501456448 1403604837 /nfs/dbraw/zinc/60/48/37/1403604837.db2.gz HAKDZOLHWSMTIF-IUODEOHRSA-N 0 0 345.403 2.734 10 5 EFBERN Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1C[C@H]1C ZINC001511864056 1413176954 /nfs/dbraw/zinc/17/69/54/1413176954.db2.gz RNZNFXSAVWJHHV-RISCZKNCSA-N 0 0 327.388 2.713 10 5 EFBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccsc1 ZINC001555761356 1415042843 /nfs/dbraw/zinc/04/28/43/1415042843.db2.gz MZALUCZAHJQSCP-UHFFFAOYSA-N 0 0 345.384 2.961 10 5 EFBERN O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001556084313 1415052604 /nfs/dbraw/zinc/05/26/04/1415052604.db2.gz KNIXRKIDOIXLMM-FZMZJTMJSA-N 0 0 330.344 2.757 10 5 EFBERN Cc1cc(Cl)c(C(=O)N[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001556116214 1415053667 /nfs/dbraw/zinc/05/36/67/1415053667.db2.gz GISZARZEZUNWSV-CYBMUJFWSA-N 0 0 348.786 2.890 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2cccnc2n1C ZINC001556123514 1415054617 /nfs/dbraw/zinc/05/46/17/1415054617.db2.gz PGEDJURMSZZKPA-UHFFFAOYSA-N 0 0 341.327 2.528 10 5 EFBERN Cc1c(CNC(=O)[C@](C)(O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001556204900 1415058951 /nfs/dbraw/zinc/05/89/51/1415058951.db2.gz HQNCGTOVAJBFEC-QGZVFWFLSA-N 0 0 332.331 2.566 10 5 EFBERN O=C(N[C@H](CCO)c1ccco1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001556306949 1415063703 /nfs/dbraw/zinc/06/37/03/1415063703.db2.gz NVKSLMRQFOAGNZ-RRFJBIMHSA-N 0 0 330.340 2.531 10 5 EFBERN CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccc2cccnc21 ZINC001556321913 1415064033 /nfs/dbraw/zinc/06/40/33/1415064033.db2.gz WILQROBWNSJFLX-UHFFFAOYSA-N 0 0 331.719 2.796 10 5 EFBERN Cc1cccc(CCCNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)n1 ZINC001556530182 1415074495 /nfs/dbraw/zinc/07/44/95/1415074495.db2.gz COIBMFQDBBCFIO-UHFFFAOYSA-N 0 0 348.790 2.896 10 5 EFBERN CON(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H](C)c1csc(C)n1 ZINC001556661257 1415081079 /nfs/dbraw/zinc/08/10/79/1415081079.db2.gz OBXHGRZGVWPJFI-YFKPBYRVSA-N 0 0 345.768 2.501 10 5 EFBERN CO[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001556683951 1415081960 /nfs/dbraw/zinc/08/19/60/1415081960.db2.gz VQOQMXUBFHABHD-CQSZACIVSA-N 0 0 332.331 2.721 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H](CO)c2ccccc21 ZINC001556719356 1415084056 /nfs/dbraw/zinc/08/40/56/1415084056.db2.gz FZQKSAXYDSOLGH-GFCCVEGCSA-N 0 0 346.770 2.913 10 5 EFBERN CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001556804744 1415089391 /nfs/dbraw/zinc/08/93/91/1415089391.db2.gz MYNIJYRUZXXHQM-UHFFFAOYSA-N 0 0 344.371 2.970 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(F)c(F)cc2OC)c1[N+](=O)[O-] ZINC001556904762 1415094529 /nfs/dbraw/zinc/09/45/29/1415094529.db2.gz YCVFTSDVLAMGPU-UHFFFAOYSA-N 0 0 338.270 2.571 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001556924759 1415095633 /nfs/dbraw/zinc/09/56/33/1415095633.db2.gz FRNMIOJYXKOPQL-LURJTMIESA-N 0 0 337.767 2.661 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-c1ncc[nH]1 ZINC001556976176 1415099167 /nfs/dbraw/zinc/09/91/67/1415099167.db2.gz MOPISHTZQKWGGC-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC001557085221 1415104233 /nfs/dbraw/zinc/10/42/33/1415104233.db2.gz FQJFCZVMMOGVDM-OAHLLOKOSA-N 0 0 329.356 2.577 10 5 EFBERN O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001557129296 1415107235 /nfs/dbraw/zinc/10/72/35/1415107235.db2.gz WELTUJQZLCDOKI-GDBMZVCRSA-N 0 0 345.286 2.870 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1noc(C(F)(F)F)n1 ZINC001557141495 1415107491 /nfs/dbraw/zinc/10/74/91/1415107491.db2.gz LUFRIEASVWXBSJ-YFKPBYRVSA-N 0 0 348.212 2.627 10 5 EFBERN COc1ccccc1C1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001557145668 1415108662 /nfs/dbraw/zinc/10/86/62/1415108662.db2.gz VZNQJZOJVXUFFG-UHFFFAOYSA-N 0 0 327.340 2.605 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001557174301 1415109948 /nfs/dbraw/zinc/10/99/48/1415109948.db2.gz UVVHSUIBZDVUKB-UHFFFAOYSA-N 0 0 330.300 2.726 10 5 EFBERN Cn1nnc2cc(NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)ccc21 ZINC001557175144 1415110319 /nfs/dbraw/zinc/11/03/19/1415110319.db2.gz GXYNDIKQMQKZGE-UHFFFAOYSA-N 0 0 349.709 2.921 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1c[nH]nc1-c1ccoc1 ZINC001557207991 1415112461 /nfs/dbraw/zinc/11/24/61/1415112461.db2.gz HMNIWPXDHJSTCM-UHFFFAOYSA-N 0 0 348.265 2.786 10 5 EFBERN CCNc1cccnc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001557208262 1415112858 /nfs/dbraw/zinc/11/28/58/1415112858.db2.gz NWYDYADTIIVEQV-UHFFFAOYSA-N 0 0 336.298 2.630 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccncc1Cl ZINC001557208816 1415112912 /nfs/dbraw/zinc/11/29/12/1415112912.db2.gz VPGSZVTWGFEIIL-UHFFFAOYSA-N 0 0 327.674 2.851 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(O)c(F)c1 ZINC001557208011 1415113199 /nfs/dbraw/zinc/11/31/99/1415113199.db2.gz IDABIORCCJBBLO-UHFFFAOYSA-N 0 0 326.230 2.648 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2nc3cccc(OC)c3s2)c1[N+](=O)[O-] ZINC001557237124 1415114545 /nfs/dbraw/zinc/11/45/45/1415114545.db2.gz UWHSRYDJJYPOIM-UHFFFAOYSA-N 0 0 347.356 2.751 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)c1 ZINC001557265919 1415116438 /nfs/dbraw/zinc/11/64/38/1415116438.db2.gz HHLOVDCIZSSFKX-LBPRGKRZSA-N 0 0 349.412 2.947 10 5 EFBERN CC(C)c1nc([C@H](CO)NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC001557265100 1415116723 /nfs/dbraw/zinc/11/67/23/1415116723.db2.gz CQXMOKLYGXMUOL-LBPRGKRZSA-N 0 0 335.385 2.638 10 5 EFBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc(Cl)c1OC ZINC001557285497 1415117444 /nfs/dbraw/zinc/11/74/44/1415117444.db2.gz VKUZXGOKWSVRGX-UHFFFAOYSA-N 0 0 325.708 2.846 10 5 EFBERN C[C@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F ZINC001557345265 1415121852 /nfs/dbraw/zinc/12/18/52/1415121852.db2.gz RLSKXCDANXLYIG-VFZGTOFNSA-N 0 0 336.294 2.725 10 5 EFBERN COc1ccc(CN(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001557463078 1415127190 /nfs/dbraw/zinc/12/71/90/1415127190.db2.gz VBQGGVBFJDCKDN-UHFFFAOYSA-N 0 0 349.774 2.853 10 5 EFBERN Nc1ccc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001557505624 1415128538 /nfs/dbraw/zinc/12/85/38/1415128538.db2.gz OQFSWPQCLDXDKI-INIZCTEOSA-N 0 0 345.330 2.530 10 5 EFBERN CCO[C@@]1(C)C[C@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001557557079 1415131524 /nfs/dbraw/zinc/13/15/24/1415131524.db2.gz QNAPFKFPLMMHRX-HIFRSBDPSA-N 0 0 326.780 2.865 10 5 EFBERN O=C(COc1ccsn1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001557577710 1415132181 /nfs/dbraw/zinc/13/21/81/1415132181.db2.gz FONGQHMLWLICFB-UHFFFAOYSA-N 0 0 333.369 2.800 10 5 EFBERN Nc1c(C(=O)NCC(F)(F)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001557652855 1415136556 /nfs/dbraw/zinc/13/65/56/1415136556.db2.gz DMSARHMNBBAZOT-UHFFFAOYSA-N 0 0 339.273 2.838 10 5 EFBERN COc1ccc(C(=O)Nc2ccc3[nH]ccc(=O)c3c2)cc1[N+](=O)[O-] ZINC001557790738 1415145233 /nfs/dbraw/zinc/14/52/33/1415145233.db2.gz LMBHOUCOJYYJKE-UHFFFAOYSA-N 0 0 339.307 2.697 10 5 EFBERN C[C@H]1Cc2cnccc2N1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001557841641 1415147413 /nfs/dbraw/zinc/14/74/13/1415147413.db2.gz MOAKJVAOMBBPMY-NSHDSACASA-N 0 0 349.350 2.971 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001557841794 1415147722 /nfs/dbraw/zinc/14/77/22/1415147722.db2.gz NUDUYMDCZKROKX-GFCCVEGCSA-N 0 0 349.350 2.767 10 5 EFBERN COc1cccc(C(=O)NCc2cc3cnccc3o2)c1[N+](=O)[O-] ZINC001558045795 1415157042 /nfs/dbraw/zinc/15/70/42/1415157042.db2.gz TYWAVBRXCMEKKD-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)c1ccccc1 ZINC001558075020 1415158282 /nfs/dbraw/zinc/15/82/82/1415158282.db2.gz MYASAYUZMLIXOV-OAHLLOKOSA-N 0 0 327.340 2.690 10 5 EFBERN Cc1nc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)oc1C ZINC001558086330 1415159009 /nfs/dbraw/zinc/15/90/09/1415159009.db2.gz OAGJDOWBCXFFHA-UHFFFAOYSA-N 0 0 327.699 2.922 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1ccnc1CC ZINC001558291687 1415170759 /nfs/dbraw/zinc/17/07/59/1415170759.db2.gz PDYSMKNTKZDVPI-UHFFFAOYSA-N 0 0 348.428 2.896 10 5 EFBERN COc1ccccc1[C@H](O)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001558301272 1415171411 /nfs/dbraw/zinc/17/14/11/1415171411.db2.gz DFYUWOGPDQKOMY-BZNIZROVSA-N 0 0 330.340 2.514 10 5 EFBERN COc1cc(O)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001558357195 1415176147 /nfs/dbraw/zinc/17/61/47/1415176147.db2.gz GHGHXDLPUFKLPS-UHFFFAOYSA-N 0 0 341.323 2.902 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2ncccn2)CC1 ZINC001558449421 1415179849 /nfs/dbraw/zinc/17/98/49/1415179849.db2.gz FMKCJMUXWPEJQQ-UHFFFAOYSA-N 0 0 344.346 2.852 10 5 EFBERN Nc1c(C(=O)NCC[C@@H]2CCC3(CCC3)O2)cc(F)cc1[N+](=O)[O-] ZINC001558490306 1415183257 /nfs/dbraw/zinc/18/32/57/1415183257.db2.gz OFFYVBJNJNVPHW-NSHDSACASA-N 0 0 337.351 2.538 10 5 EFBERN O=C(NCCc1c(F)cc(O)cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001558516121 1415184743 /nfs/dbraw/zinc/18/47/43/1415184743.db2.gz OKSWSZTUICQUCH-UHFFFAOYSA-N 0 0 340.257 2.690 10 5 EFBERN CCC[C@@H](O)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001558629471 1415193433 /nfs/dbraw/zinc/19/34/33/1415193433.db2.gz ALRNPFREVKWVAD-ZYHUDNBSSA-N 0 0 344.795 2.683 10 5 EFBERN COc1cccc(OC)c1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001558676045 1415193859 /nfs/dbraw/zinc/19/38/59/1415193859.db2.gz KQKSHKCDYAGITE-UHFFFAOYSA-N 0 0 345.355 2.684 10 5 EFBERN O=C(N[C@@H]1CCc2cc(F)ccc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558673753 1415193947 /nfs/dbraw/zinc/19/39/47/1415193947.db2.gz QBHQMULYUROVBE-HZPDHXFCSA-N 0 0 330.315 2.571 10 5 EFBERN Cc1ccc(NC(=O)c2nc3cnccc3s2)c(N)c1[N+](=O)[O-] ZINC001558676648 1415194763 /nfs/dbraw/zinc/19/47/63/1415194763.db2.gz JWGNYGGDODRSJB-UHFFFAOYSA-N 0 0 329.341 2.742 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CO[C@H]1c1ccccc1 ZINC001558682518 1415194843 /nfs/dbraw/zinc/19/48/43/1415194843.db2.gz FMGYUPBDECORMQ-PBHICJAKSA-N 0 0 330.315 2.533 10 5 EFBERN Cc1ncoc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001558699719 1415196303 /nfs/dbraw/zinc/19/63/03/1415196303.db2.gz AEELUUDSRVNOGS-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN COC1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCCCC1 ZINC001558722045 1415197486 /nfs/dbraw/zinc/19/74/86/1415197486.db2.gz SPXYBHLRVFYPNB-UHFFFAOYSA-N 0 0 339.367 2.785 10 5 EFBERN O=C(NOCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC001558778486 1415201115 /nfs/dbraw/zinc/20/11/15/1415201115.db2.gz XQWUEUBZPCWZPW-UHFFFAOYSA-N 0 0 336.731 2.989 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001558814534 1415203134 /nfs/dbraw/zinc/20/31/34/1415203134.db2.gz VLUSKLKIGBNYIL-TZMCWYRMSA-N 0 0 338.791 2.818 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cc(-c2ccncc2)[nH]n1 ZINC001558920928 1415211423 /nfs/dbraw/zinc/21/14/23/1415211423.db2.gz SGYCIZRSSHQHLE-UHFFFAOYSA-N 0 0 341.302 2.700 10 5 EFBERN CCOc1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC001559004605 1415217138 /nfs/dbraw/zinc/21/71/38/1415217138.db2.gz VCLKCSFXMHBRIP-UHFFFAOYSA-N 0 0 327.300 2.517 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001559024315 1415219040 /nfs/dbraw/zinc/21/90/40/1415219040.db2.gz ZOOMMCGSBYMDSH-CYBMUJFWSA-N 0 0 345.742 2.541 10 5 EFBERN O=C(NCc1ccc(C(F)(F)F)s1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001559029475 1415220024 /nfs/dbraw/zinc/22/00/24/1415220024.db2.gz GCALWYVNDXICDX-UHFFFAOYSA-N 0 0 347.274 2.706 10 5 EFBERN NC(=O)c1cc(Nc2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC001559048864 1415221301 /nfs/dbraw/zinc/22/13/01/1415221301.db2.gz CJDGYZSRCUJBOI-UHFFFAOYSA-N 0 0 329.312 2.599 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC2CCN(C(C)=O)CC2)cc1C ZINC001559056140 1415221305 /nfs/dbraw/zinc/22/13/05/1415221305.db2.gz SOVSZEYEHCNCPI-UHFFFAOYSA-N 0 0 349.387 2.503 10 5 EFBERN Cc1ccc(-c2nnc(Sc3nn(C)cc3[N+](=O)[O-])n2C)cc1 ZINC001559059982 1415222020 /nfs/dbraw/zinc/22/20/20/1415222020.db2.gz PRLYWCHWSTVRNV-UHFFFAOYSA-N 0 0 330.373 2.583 10 5 EFBERN COC(=O)CCCCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001559060540 1415222324 /nfs/dbraw/zinc/22/23/24/1415222324.db2.gz RSZICKQZJNIFPA-UHFFFAOYSA-N 0 0 335.335 2.849 10 5 EFBERN O=[N+]([O-])c1c(NCC2CCCCCCC2)ncnc1N1CCOCC1 ZINC001559076116 1415222750 /nfs/dbraw/zinc/22/27/50/1415222750.db2.gz KRPMNVKASRRTHD-UHFFFAOYSA-N 0 0 349.435 2.994 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H](O)c1cccc(F)c1 ZINC001559085176 1415223571 /nfs/dbraw/zinc/22/35/71/1415223571.db2.gz BAWXYFBVPUGKAP-MRXNPFEDSA-N 0 0 345.305 2.989 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3scnc3C)c2c1 ZINC001559100190 1415224495 /nfs/dbraw/zinc/22/44/95/1415224495.db2.gz HBPLCWUHEPHYCS-UHFFFAOYSA-N 0 0 330.369 2.951 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](CCO)CSC)cc1C ZINC001559110790 1415224578 /nfs/dbraw/zinc/22/45/78/1415224578.db2.gz OKSNNWAZSWCZME-NSHDSACASA-N 0 0 342.417 2.606 10 5 EFBERN Cc1nc(C)n(Cc2cccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])c2)n1 ZINC001559125711 1415225733 /nfs/dbraw/zinc/22/57/33/1415225733.db2.gz MOCMLCZRFFESRE-UHFFFAOYSA-N 0 0 340.343 2.696 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@]3(C)CCCC[C@@H]3O)c2c1 ZINC001559128479 1415226020 /nfs/dbraw/zinc/22/60/20/1415226020.db2.gz WVMPPZSQSHGWTH-FUHWJXTLSA-N 0 0 345.399 2.927 10 5 EFBERN NC(=O)c1ccnc(S[C@@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC001559135064 1415226103 /nfs/dbraw/zinc/22/61/03/1415226103.db2.gz VMIDDAPEHGPEMG-GFCCVEGCSA-N 0 0 331.353 2.705 10 5 EFBERN NC(=O)c1cncc(Oc2c3cc(F)ccc3ncc2[N+](=O)[O-])c1 ZINC001559151745 1415227312 /nfs/dbraw/zinc/22/73/12/1415227312.db2.gz PNZVNOFNJJLBLB-UHFFFAOYSA-N 0 0 328.259 2.568 10 5 EFBERN NC(=O)c1cc(N2CCc3c4ccccc4[nH]c3C2)ccc1[N+](=O)[O-] ZINC001559157558 1415227356 /nfs/dbraw/zinc/22/73/56/1415227356.db2.gz OVEYHGZMGMCMAO-UHFFFAOYSA-N 0 0 336.351 2.738 10 5 EFBERN CCOc1cc(Oc2nc(N)nc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC001559184659 1415228450 /nfs/dbraw/zinc/22/84/50/1415228450.db2.gz PYDWYYGFXRJLMK-UHFFFAOYSA-N 0 0 345.237 2.572 10 5 EFBERN CC[C@H]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001559201103 1415229198 /nfs/dbraw/zinc/22/91/98/1415229198.db2.gz JRZZTXMRZXCONQ-NWDGAFQWSA-N 0 0 341.433 2.871 10 5 EFBERN C[C@H]1C[C@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CS1 ZINC001559212534 1415230358 /nfs/dbraw/zinc/23/03/58/1415230358.db2.gz NLWZZBMFPIPVQH-IUCAKERBSA-N 0 0 334.357 2.779 10 5 EFBERN COCc1n[nH]c(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC001559231456 1415231676 /nfs/dbraw/zinc/23/16/76/1415231676.db2.gz UPIHLENZZYXOJW-UHFFFAOYSA-N 0 0 340.343 2.533 10 5 EFBERN CC(C)c1nc([C@@H](CO)Nc2ncc([N+](=O)[O-])cc2F)cs1 ZINC001559226591 1415231827 /nfs/dbraw/zinc/23/18/27/1415231827.db2.gz YPWLRINFGUECMU-SNVBAGLBSA-N 0 0 326.353 2.854 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cc2n(n1)CCCC2 ZINC001559226541 1415231847 /nfs/dbraw/zinc/23/18/47/1415231847.db2.gz WFGOWHNGNNDNOI-UHFFFAOYSA-N 0 0 344.371 2.835 10 5 EFBERN O=c1[nH]ccc(NCCc2cccc3c2OC(F)(F)O3)c1[N+](=O)[O-] ZINC001559239841 1415232180 /nfs/dbraw/zinc/23/21/80/1415232180.db2.gz QALUJTBKJPFDLN-UHFFFAOYSA-N 0 0 339.254 2.672 10 5 EFBERN CC(=O)c1ccc(N[C@H]2Cc3ccccc3N(C)C2=O)c([N+](=O)[O-])c1 ZINC001559234122 1415232464 /nfs/dbraw/zinc/23/24/64/1415232464.db2.gz TYMRHFCBRXRPGH-HNNXBMFYSA-N 0 0 339.351 2.797 10 5 EFBERN CN1C(=O)c2ccccc2[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001559257254 1415234102 /nfs/dbraw/zinc/23/41/02/1415234102.db2.gz KWBZGHLXWHDKJX-OAHLLOKOSA-N 0 0 349.350 2.777 10 5 EFBERN CCc1nn(C)c(NCc2ccc(-c3c[nH]cn3)cc2)c1[N+](=O)[O-] ZINC001559254146 1415234179 /nfs/dbraw/zinc/23/41/79/1415234179.db2.gz ZZIAQKLKMOCLPF-UHFFFAOYSA-N 0 0 326.360 2.893 10 5 EFBERN O=[N+]([O-])c1c(NCC[C@@H]2CCCS2(=O)=O)ccc2cnccc21 ZINC001559268879 1415235124 /nfs/dbraw/zinc/23/51/24/1415235124.db2.gz XOKWLBQKQNMVRG-LBPRGKRZSA-N 0 0 335.385 2.522 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001559275284 1415235736 /nfs/dbraw/zinc/23/57/36/1415235736.db2.gz YVJKHYPGDBHLTE-NSHDSACASA-N 0 0 347.375 2.892 10 5 EFBERN COC(=O)c1cnc(NCc2ccc(O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001559271696 1415235839 /nfs/dbraw/zinc/23/58/39/1415235839.db2.gz PRMHVJRCJDKJKJ-UHFFFAOYSA-N 0 0 337.719 2.748 10 5 EFBERN COC(=O)c1ccccc1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001559288528 1415237099 /nfs/dbraw/zinc/23/70/99/1415237099.db2.gz HDVWAILILFKYPV-UHFFFAOYSA-N 0 0 345.311 2.944 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NCc2nc3c([nH]2)CCCC3)s1 ZINC001559288302 1415237434 /nfs/dbraw/zinc/23/74/34/1415237434.db2.gz XJFRHPQQYHLSOK-UHFFFAOYSA-N 0 0 330.373 2.814 10 5 EFBERN COC(=O)Cc1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001559292506 1415237483 /nfs/dbraw/zinc/23/74/83/1415237483.db2.gz UQEOUQMZUYLERQ-QCUYGVNKSA-N 0 0 342.395 2.959 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(Oc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC001559301975 1415237992 /nfs/dbraw/zinc/23/79/92/1415237992.db2.gz SOINGCMHDKHMEU-UHFFFAOYSA-N 0 0 333.256 2.770 10 5 EFBERN CCCOc1ccnc(Oc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC001559300996 1415238084 /nfs/dbraw/zinc/23/80/84/1415238084.db2.gz KGDOWNZENUIBMH-UHFFFAOYSA-N 0 0 333.300 2.737 10 5 EFBERN NC(=O)c1ccc(Oc2ncnc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC001559302773 1415238183 /nfs/dbraw/zinc/23/81/83/1415238183.db2.gz UAGFDNPJSHHKRJ-UHFFFAOYSA-N 0 0 328.259 2.568 10 5 EFBERN CN1C(=O)Cc2cc(CNc3ncc([N+](=O)[O-])cc3Cl)ccc21 ZINC001559301958 1415238201 /nfs/dbraw/zinc/23/82/01/1415238201.db2.gz RZFNVRXKQMIXEK-UHFFFAOYSA-N 0 0 332.747 2.774 10 5 EFBERN NC(=O)c1ccc(Oc2ncnc3sc([N+](=O)[O-])cc32)c(F)c1 ZINC001559302739 1415238254 /nfs/dbraw/zinc/23/82/54/1415238254.db2.gz SAOFFEGXOIYFHR-UHFFFAOYSA-N 0 0 334.288 2.630 10 5 EFBERN CN(C)c1nccc2c1CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001559304010 1415238789 /nfs/dbraw/zinc/23/87/89/1415238789.db2.gz XZCFRTFNPPHDOI-UHFFFAOYSA-N 0 0 343.343 2.527 10 5 EFBERN COC(=O)[C@]1(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCOC1 ZINC001559304829 1415238835 /nfs/dbraw/zinc/23/88/35/1415238835.db2.gz KPAQUYYYPILPOX-ZDUSSCGKSA-N 0 0 348.277 2.605 10 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/nfs/dbraw/zinc/24/57/69/1415245769.db2.gz LXEMKDXPZRECOF-UHFFFAOYSA-N 0 0 332.209 2.751 10 5 EFBERN Cc1cccc(CNC(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001559438123 1415245964 /nfs/dbraw/zinc/24/59/64/1415245964.db2.gz QFWJAKRNTWOUES-UHFFFAOYSA-N 0 0 345.311 2.507 10 5 EFBERN O=[N+]([O-])c1nc(Br)n(Cc2nc3ccccc3s2)n1 ZINC001559455352 1415247208 /nfs/dbraw/zinc/24/72/08/1415247208.db2.gz HTTHFOJPYVCUOL-UHFFFAOYSA-N 0 0 340.162 2.607 10 5 EFBERN CC(C)N(Cc1c(Br)cccc1[N+](=O)[O-])C1COC1 ZINC001559860158 1415256632 /nfs/dbraw/zinc/25/66/32/1415256632.db2.gz UWLWEXJEPHIQHQ-UHFFFAOYSA-N 0 0 329.194 2.967 10 5 EFBERN CCO[C@@H]1CCC[C@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001559904598 1415257621 /nfs/dbraw/zinc/25/76/21/1415257621.db2.gz REDXEAPRJXELLS-TZMCWYRMSA-N 0 0 332.360 2.692 10 5 EFBERN CN(Cc1ccns1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001559984976 1415260225 /nfs/dbraw/zinc/26/02/25/1415260225.db2.gz ADUWRCYHIUAMQD-UHFFFAOYSA-N 0 0 331.357 2.733 10 5 EFBERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])[nH]c1C ZINC001560138330 1415264269 /nfs/dbraw/zinc/26/42/69/1415264269.db2.gz QHEWCYVBAZPPJW-HNNXBMFYSA-N 0 0 343.387 2.710 10 5 EFBERN CON(Cc1ccc(C)o1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001560159416 1415266552 /nfs/dbraw/zinc/26/65/52/1415266552.db2.gz SIQIZXPUMAPPFF-GFCCVEGCSA-N 0 0 333.344 2.887 10 5 EFBERN CC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC001563086082 1415348869 /nfs/dbraw/zinc/34/88/69/1415348869.db2.gz NCUILGWVFZFEAK-UHFFFAOYSA-N 0 0 342.355 2.976 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@]12C[C@@H]1CCCC2 ZINC001564658752 1415380793 /nfs/dbraw/zinc/38/07/93/1415380793.db2.gz QPGNJNHQLGZNDC-APPDUMDISA-N 0 0 343.387 2.851 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001565343088 1415393972 /nfs/dbraw/zinc/39/39/72/1415393972.db2.gz XVUDIPMPWCNWNC-GXFFZTMASA-N 0 0 345.359 2.546 10 5 EFBERN CO[C@]12CCC[C@@]1(NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC001565342587 1415394653 /nfs/dbraw/zinc/39/46/53/1415394653.db2.gz IMXIBGSTMJELSX-VUCTXSBTSA-N 0 0 349.387 2.641 10 5 EFBERN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001565677787 1415409937 /nfs/dbraw/zinc/40/99/37/1415409937.db2.gz HEOSJKMAEKYMMG-ZCFIWIBFSA-N 0 0 343.796 2.878 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC001565784350 1415415361 /nfs/dbraw/zinc/41/53/61/1415415361.db2.gz SQEZOBMMEBJKSB-ZDUSSCGKSA-N 0 0 340.383 2.576 10 5 EFBERN CSCCCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001565818915 1415417455 /nfs/dbraw/zinc/41/74/55/1415417455.db2.gz MYWYWMOXWJQRBG-UHFFFAOYSA-N 0 0 349.412 2.781 10 5 EFBERN CC(C)Nc1cc(F)ccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001565832627 1415424832 /nfs/dbraw/zinc/42/48/32/1415424832.db2.gz BPXLCXYQQVEVMA-UHFFFAOYSA-N 0 0 333.323 2.784 10 5 EFBERN CCc1ccc(O)c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC001565983543 1415470156 /nfs/dbraw/zinc/47/01/56/1415470156.db2.gz KOIHIYWPFXAKML-UHFFFAOYSA-N 0 0 344.323 2.902 10 5 EFBERN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001566073349 1415504777 /nfs/dbraw/zinc/50/47/77/1415504777.db2.gz LDCLCMKBSNJUSY-IINYFYTJSA-N 0 0 344.346 2.934 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cncc3[nH]cnc32)cc1[N+](=O)[O-] ZINC001566126309 1415525077 /nfs/dbraw/zinc/52/50/77/1415525077.db2.gz MJUGGLMEGLNLAB-JTQLQIEISA-N 0 0 325.328 2.666 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2ncccc2N(C)C)cc1[N+](=O)[O-] ZINC001566126097 1415525297 /nfs/dbraw/zinc/52/52/97/1415525297.db2.gz FZEXOFXQXUNHAH-LBPRGKRZSA-N 0 0 328.372 2.855 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cncc3[nH]cnc32)cc1[N+](=O)[O-] ZINC001566126310 1415525524 /nfs/dbraw/zinc/52/55/24/1415525524.db2.gz MJUGGLMEGLNLAB-SNVBAGLBSA-N 0 0 325.328 2.666 10 5 EFBERN O=C([C@H](CO)c1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001566169527 1415533017 /nfs/dbraw/zinc/53/30/17/1415533017.db2.gz SYAPGLANQGUERK-MRXNPFEDSA-N 0 0 346.770 2.867 10 5 EFBERN COc1ccc(C)nc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001566199724 1415534669 /nfs/dbraw/zinc/53/46/69/1415534669.db2.gz XRAIYUVJTMBEQV-UHFFFAOYSA-N 0 0 343.339 2.908 10 5 EFBERN Nc1c(C(=O)Nc2ccc3n[nH]nc3c2)cc2ccccc2c1[N+](=O)[O-] ZINC001566217002 1415535903 /nfs/dbraw/zinc/53/59/03/1415535903.db2.gz JLDXXNNAKSDESH-UHFFFAOYSA-N 0 0 348.322 2.854 10 5 EFBERN COc1c(F)cc(F)cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566264549 1415537583 /nfs/dbraw/zinc/53/75/83/1415537583.db2.gz CGKLQCVEEAUPBJ-UHFFFAOYSA-N 0 0 332.650 2.510 10 5 EFBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CC2(CCC2)C1 ZINC001566351590 1415542583 /nfs/dbraw/zinc/54/25/83/1415542583.db2.gz WDXMTLBKCPNMGA-UHFFFAOYSA-N 0 0 330.319 2.546 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCc2ccc(O)cc2C1 ZINC001566370019 1415543745 /nfs/dbraw/zinc/54/37/45/1415543745.db2.gz JEDGIOXVVSORHZ-UHFFFAOYSA-N 0 0 330.315 2.567 10 5 EFBERN CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC001566436019 1415546477 /nfs/dbraw/zinc/54/64/77/1415546477.db2.gz IVZHSJDRKORKAQ-UHFFFAOYSA-N 0 0 349.730 2.836 10 5 EFBERN Cc1cocc1C(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001566482553 1415576071 /nfs/dbraw/zinc/57/60/71/1415576071.db2.gz QMIYULJOTCEKIZ-UHFFFAOYSA-N 0 0 337.401 2.810 10 5 EFBERN O=C(Nc1n[nH]c2c1cccc2Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001566623253 1415700499 /nfs/dbraw/zinc/70/04/99/1415700499.db2.gz UOXZHAHLKKSTJX-CYBMUJFWSA-N 0 0 346.730 2.797 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCOc1ccccc1Cl ZINC001566718087 1415745575 /nfs/dbraw/zinc/74/55/75/1415745575.db2.gz CWDSOLAARWJMJZ-UHFFFAOYSA-N 0 0 335.747 2.639 10 5 EFBERN CCC1(CC)[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1OC ZINC001566727199 1415747455 /nfs/dbraw/zinc/74/74/55/1415747455.db2.gz UKCIXFLWPKMYAI-ZIAGYGMSSA-N 0 0 338.379 2.986 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001566787157 1415775497 /nfs/dbraw/zinc/77/54/97/1415775497.db2.gz RZOLWTJSQBRNFF-UHFFFAOYSA-N 0 0 342.311 2.517 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1CO ZINC001567078081 1415926572 /nfs/dbraw/zinc/92/65/72/1415926572.db2.gz ITVVQOPSEBRNOR-QGZVFWFLSA-N 0 0 344.342 2.774 10 5 EFBERN Cn1ccc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n1 ZINC001567179798 1415973375 /nfs/dbraw/zinc/97/33/75/1415973375.db2.gz ZFIZSEZUVXJEKI-UHFFFAOYSA-N 0 0 347.133 2.704 10 5 EFBERN CN(CCNC(=O)C(C)(C)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001567295609 1416061922 /nfs/dbraw/zinc/06/19/22/1416061922.db2.gz QGAHKMGAWPMRRH-UHFFFAOYSA-N 0 0 333.432 2.969 10 5 EFBERN CCN(CCNC(=O)Cc1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC001567324788 1416072637 /nfs/dbraw/zinc/07/26/37/1416072637.db2.gz BXVADRRVCBHSRQ-UHFFFAOYSA-N 0 0 347.440 2.837 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOc2ncccc2C1 ZINC001567330623 1416076440 /nfs/dbraw/zinc/07/64/40/1416076440.db2.gz HEBNBKVYWGXHHD-UHFFFAOYSA-N 0 0 347.758 2.607 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC001567586670 1416198990 /nfs/dbraw/zinc/19/89/90/1416198990.db2.gz HKIPRICKENOATJ-NSHDSACASA-N 0 0 330.315 2.645 10 5 EFBERN Cc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(N)cc1F ZINC001567618523 1416212718 /nfs/dbraw/zinc/21/27/18/1416212718.db2.gz JQVVXRRGKDGFKT-UHFFFAOYSA-N 0 0 345.330 2.528 10 5 EFBERN CO[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC001567682938 1416245644 /nfs/dbraw/zinc/24/56/44/1416245644.db2.gz KEZJWIQCKXAMCO-YGRLFVJLSA-N 0 0 326.780 2.674 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001567768535 1416277385 /nfs/dbraw/zinc/27/73/85/1416277385.db2.gz WLHMHHZMNADOSJ-DZGCQCFKSA-N 0 0 340.383 2.713 10 5 EFBERN O=C(N[C@H](CCO)c1ccco1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001567907168 1416318272 /nfs/dbraw/zinc/31/82/72/1416318272.db2.gz SDKNFYLYOICAKS-SNVBAGLBSA-N 0 0 342.710 2.834 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001567987035 1416351226 /nfs/dbraw/zinc/35/12/26/1416351226.db2.gz WNLOQIRISGYUGO-UHFFFAOYSA-N 0 0 342.277 2.651 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2c(C)cc(CO)cc2C)c1 ZINC001645839542 1416570134 /nfs/dbraw/zinc/57/01/34/1416570134.db2.gz VENYZCLWSDFIFZ-UHFFFAOYSA-N 0 0 344.367 2.643 10 5 EFBERN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001646004696 1416599013 /nfs/dbraw/zinc/59/90/13/1416599013.db2.gz GGDOVLAPGLWQGW-PSLIRLAXSA-N 0 0 336.294 2.784 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc[nH]n1 ZINC001646146985 1416620432 /nfs/dbraw/zinc/62/04/32/1416620432.db2.gz FEYDJVIJVTWSPC-MFKMUULPSA-N 0 0 347.400 2.557 10 5 EFBERN O=C(Nc1nc2ccc3scnc3c2s1)c1c[nH]nc1[N+](=O)[O-] ZINC001646163794 1416623404 /nfs/dbraw/zinc/62/34/04/1416623404.db2.gz WMKPFKIYRABYOA-UHFFFAOYSA-N 0 0 346.353 2.790 10 5 EFBERN COC(C)(C)[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001646165975 1416623555 /nfs/dbraw/zinc/62/35/55/1416623555.db2.gz YGCHWKKKGLOJKX-LURJTMIESA-N 0 0 333.747 2.513 10 5 EFBERN COc1cccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1C ZINC001646191515 1416628803 /nfs/dbraw/zinc/62/88/03/1416628803.db2.gz SCKVHUQFRFQVEP-UHFFFAOYSA-N 0 0 329.356 2.732 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(c2ccccc2)CCCO1 ZINC001646194258 1416629824 /nfs/dbraw/zinc/62/98/24/1416629824.db2.gz QFIJHHPCXMYDRD-GOSISDBHSA-N 0 0 341.367 2.613 10 5 EFBERN Cc1ccc(NC(=O)c2cnc3ccccc3c2O)c(N)c1[N+](=O)[O-] ZINC001646255811 1416638927 /nfs/dbraw/zinc/63/89/27/1416638927.db2.gz RSLOAJGVUGIJKF-UHFFFAOYSA-N 0 0 338.323 2.579 10 5 EFBERN COC(=O)c1coc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001646258379 1416639153 /nfs/dbraw/zinc/63/91/53/1416639153.db2.gz CHMBTDRVXGVJEJ-GQCTYLIASA-N 0 0 345.311 2.517 10 5 EFBERN Cc1ccc(NC(=O)CSCc2ccncc2)c(N)c1[N+](=O)[O-] ZINC001646255204 1416639209 /nfs/dbraw/zinc/63/92/09/1416639209.db2.gz JIPAXYUTNWTGFI-UHFFFAOYSA-N 0 0 332.385 2.752 10 5 EFBERN Cc1ccc(NC(=O)[C@](C)(O)CCc2ccccc2)c(N)c1[N+](=O)[O-] ZINC001646258641 1416639509 /nfs/dbraw/zinc/63/95/09/1416639509.db2.gz FPKOCUIEYSUAPF-GOSISDBHSA-N 0 0 343.383 2.808 10 5 EFBERN Cc1ccc(NC(=O)CSc2ccc(O)cc2)c(N)c1[N+](=O)[O-] ZINC001646259412 1416639707 /nfs/dbraw/zinc/63/97/07/1416639707.db2.gz LUBLNLYJWMSROF-UHFFFAOYSA-N 0 0 333.369 2.922 10 5 EFBERN CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001683181870 1416679329 /nfs/dbraw/zinc/67/93/29/1416679329.db2.gz NABBNUNQXJYPIY-WMZOPIPTSA-N 0 0 346.431 2.861 10 5 EFBERN Cc1nc(C(C)(C)NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC001684396537 1416720043 /nfs/dbraw/zinc/72/00/43/1416720043.db2.gz JTWZPCJMQJXTMY-SNVBAGLBSA-N 0 0 347.375 2.624 10 5 EFBERN C[C@H](CNC(=O)NCCc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC001684397547 1416720656 /nfs/dbraw/zinc/72/06/56/1416720656.db2.gz UZNMNKDMZRXBMS-CYBMUJFWSA-N 0 0 343.383 2.946 10 5 EFBERN C[C@@H](CNC(=O)NCCC1(CO)CCC1)c1ccccc1[N+](=O)[O-] ZINC001684397021 1416720751 /nfs/dbraw/zinc/72/07/51/1416720751.db2.gz PRZSDXHQSFOBRI-ZDUSSCGKSA-N 0 0 335.404 2.550 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](C)c1csnn1)c1ccccc1[N+](=O)[O-] ZINC001684397792 1416720887 /nfs/dbraw/zinc/72/08/87/1416720887.db2.gz VRYDZJMCJQBOAQ-VHSXEESVSA-N 0 0 335.389 2.610 10 5 EFBERN Cc1ccc(CNC(=O)NCC[C@@H](O)C2CCCC2)cc1[N+](=O)[O-] ZINC001684706382 1416728482 /nfs/dbraw/zinc/72/84/82/1416728482.db2.gz JAYMLICAMSZWHT-MRXNPFEDSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1ccc(CNC(=O)NCC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC001684706844 1416728536 /nfs/dbraw/zinc/72/85/36/1416728536.db2.gz SWEKVGGXMVILKY-CQSZACIVSA-N 0 0 349.431 2.891 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cc(C2CC2)no1 ZINC001685132959 1416746557 /nfs/dbraw/zinc/74/65/57/1416746557.db2.gz VBVVTBGIRQEDJW-UHFFFAOYSA-N 0 0 344.371 2.844 10 5 EFBERN C[C@@H](NC(=O)NCC[C@@H](O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001685153330 1416752142 /nfs/dbraw/zinc/75/21/42/1416752142.db2.gz OVFWISWZWSXAMV-MLGOLLRUSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](CO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001685447366 1416764217 /nfs/dbraw/zinc/76/42/17/1416764217.db2.gz ISIDBQDVXSFPJL-SWLSCSKDSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@@H](CNC(=O)NCC1(O)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001685528046 1416766369 /nfs/dbraw/zinc/76/63/69/1416766369.db2.gz OUVLFQHPTGLPID-ZDUSSCGKSA-N 0 0 335.404 2.693 10 5 EFBERN C[C@H](CNC(=O)NC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001685528967 1416766379 /nfs/dbraw/zinc/76/63/79/1416766379.db2.gz YWPPACOWVKTHRE-CXAGYDPISA-N 0 0 343.383 2.731 10 5 EFBERN CCC(CC)[C@H](O)CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001685527823 1416766431 /nfs/dbraw/zinc/76/64/31/1416766431.db2.gz MDFLKKGQHDUIJG-BLLLJJGKSA-N 0 0 337.420 2.795 10 5 EFBERN Cc1ncoc1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001685580019 1416767989 /nfs/dbraw/zinc/76/79/89/1416767989.db2.gz YTHDINBGGNODGY-CQSZACIVSA-N 0 0 344.371 2.980 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1([C@@H]2CCCO2)CCC1 ZINC001685861204 1416774970 /nfs/dbraw/zinc/77/49/70/1416774970.db2.gz IMHOKQXBVIAUCU-HNNXBMFYSA-N 0 0 349.387 2.504 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001687733864 1416868873 /nfs/dbraw/zinc/86/88/73/1416868873.db2.gz WDBGTZPIDOUARP-XJKSGUPXSA-N 0 0 343.383 2.731 10 5 EFBERN Cc1cc(C(=O)NCCCN(C)Cc2csc([N+](=O)[O-])c2)ccn1 ZINC001689865850 1417086893 /nfs/dbraw/zinc/08/68/93/1417086893.db2.gz HHOLWWGCJMIEJQ-UHFFFAOYSA-N 0 0 348.428 2.612 10 5 EFBERN CN(CCNC(=O)CCCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC001690127581 1417160069 /nfs/dbraw/zinc/16/00/69/1417160069.db2.gz UISYCELWPAPQKU-UHFFFAOYSA-N 0 0 342.399 2.565 10 5 EFBERN CN(CCNC(=O)c1ncoc1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001690129785 1417161441 /nfs/dbraw/zinc/16/14/41/1417161441.db2.gz MBQDXUZNEQMISA-UHFFFAOYSA-N 0 0 346.387 2.747 10 5 EFBERN CC(C)(C(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1)C(C)(F)F ZINC001692258148 1417269572 /nfs/dbraw/zinc/26/95/72/1417269572.db2.gz FQIZYZFCYDATJS-UHFFFAOYSA-N 0 0 341.358 2.577 10 5 EFBERN Cc1cccc(CC(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001713465116 1418546533 /nfs/dbraw/zinc/54/65/33/1418546533.db2.gz FKTPYOQGWYWTEQ-UHFFFAOYSA-N 0 0 341.411 2.694 10 5 EFBERN CN(CCNC(=O)C(C)(C)C(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001713475028 1418549066 /nfs/dbraw/zinc/54/90/66/1418549066.db2.gz LEGWZUKMOSIRLF-UHFFFAOYSA-N 0 0 343.374 2.824 10 5 EFBERN CN(CCNC(=O)c1ccc(F)cc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001713475388 1418549331 /nfs/dbraw/zinc/54/93/31/1418549331.db2.gz RRWRSWQVZBMNRM-UHFFFAOYSA-N 0 0 349.337 2.735 10 5 EFBERN CN(C(=O)/C=C\C(C)(C)C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001716737996 1418985675 /nfs/dbraw/zinc/98/56/75/1418985675.db2.gz OPWIUYWNCWERQS-KTKRTIGZSA-N 0 0 331.416 2.840 10 5 EFBERN CN(C(=O)CCCC1CC1)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001716746620 1418989072 /nfs/dbraw/zinc/98/90/72/1418989072.db2.gz LIWILPCGGAXEEZ-UHFFFAOYSA-N 0 0 331.416 2.818 10 5 EFBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1Cc1ccco1 ZINC001726363535 1426288181 /nfs/dbraw/zinc/28/81/81/1426288181.db2.gz OWKWKOUMMCHBII-UHFFFAOYSA-N 0 0 341.371 2.815 10 5 EFBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1 ZINC001728112791 1426311696 /nfs/dbraw/zinc/31/16/96/1426311696.db2.gz LEFJIKOHALMVKC-UHFFFAOYSA-N 0 0 345.403 2.879 10 5 EFBERN C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000120312435 713063274 /nfs/dbraw/zinc/06/32/74/713063274.db2.gz MWZOFEGUOACPSH-GXFFZTMASA-N 0 0 330.431 2.857 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000890595138 713105994 /nfs/dbraw/zinc/10/59/94/713105994.db2.gz GQSMZWWUKAPGKR-KGLIPLIRSA-N 0 0 348.399 2.764 10 5 EFBERN C[C@@H](NC(=O)NC[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000924040733 713408015 /nfs/dbraw/zinc/40/80/15/713408015.db2.gz GEIFTPJKRHEDRL-IUODEOHRSA-N 0 0 333.388 2.914 10 5 EFBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCCOC2 ZINC000804717071 713449563 /nfs/dbraw/zinc/44/95/63/713449563.db2.gz XYJLJSCOTSAKDV-KRWDZBQOSA-N 0 0 347.371 2.558 10 5 EFBERN COC(=O)[C@]1(C(F)(F)F)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000804791946 713470008 /nfs/dbraw/zinc/47/00/08/713470008.db2.gz QBSUHXDAJCMPKY-ZDUSSCGKSA-N 0 0 347.293 2.538 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC=C(c2ccncc2)C1 ZINC000804832391 713489530 /nfs/dbraw/zinc/48/95/30/713489530.db2.gz RMHOIBIEUKWPCK-UHFFFAOYSA-N 0 0 338.367 2.643 10 5 EFBERN C[C@H](COC(=O)[C@@H](C)Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103369 713520942 /nfs/dbraw/zinc/52/09/42/713520942.db2.gz PNQIVSGFWUHTEQ-VHSXEESVSA-N 0 0 330.178 2.836 10 5 EFBERN C[C@@H](COC(=O)C(C)(C)c1cccc(Br)c1)[N+](=O)[O-] ZINC000813104488 713522613 /nfs/dbraw/zinc/52/26/13/713522613.db2.gz NFJNSMQGCTWFCX-VIFPVBQESA-N 0 0 330.178 2.935 10 5 EFBERN C[C@@H](COC(=O)CCCOc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110163 713541836 /nfs/dbraw/zinc/54/18/36/713541836.db2.gz UDHDZLGNSDMNJX-JTQLQIEISA-N 0 0 346.177 2.817 10 5 EFBERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813114786 713635447 /nfs/dbraw/zinc/63/54/47/713635447.db2.gz WNKRJCSDQXFQBP-RKDXNWHRSA-N 0 0 348.168 2.975 10 5 EFBERN COc1cccc(/C(C)=C\C(=O)OCCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000255114682 713729194 /nfs/dbraw/zinc/72/91/94/713729194.db2.gz GERRRQNKWHVMOZ-XFXZXTDPSA-N 0 0 345.355 2.755 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])OC/C=C/Br ZINC000813933235 714042651 /nfs/dbraw/zinc/04/26/51/714042651.db2.gz YXMWBWLJMVOMII-XVNBXDOJSA-N 0 0 329.150 2.849 10 5 EFBERN C[C@@]1(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000177237371 717951238 /nfs/dbraw/zinc/95/12/38/717951238.db2.gz MEIMNWJSNOSGNL-INIZCTEOSA-N 0 0 331.328 2.506 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000891299337 714280666 /nfs/dbraw/zinc/28/06/66/714280666.db2.gz WMFFZWJULPQDLG-SCRDCRAPSA-N 0 0 334.372 2.546 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000891299626 714282111 /nfs/dbraw/zinc/28/21/11/714282111.db2.gz CLNVPPLGHKDSIL-OCCSQVGLSA-N 0 0 348.399 2.720 10 5 EFBERN Cc1cc(C(=O)NCCC[C@H]2CCCC[C@@H]2O)c(N)c([N+](=O)[O-])c1 ZINC000134575192 714697707 /nfs/dbraw/zinc/69/77/07/714697707.db2.gz ATKRAYZRQLQXIU-DOMZBBRYSA-N 0 0 335.404 2.547 10 5 EFBERN COc1ccc(C(=O)N(C)Cc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000023891277 714803822 /nfs/dbraw/zinc/80/38/22/714803822.db2.gz INJWMEPZZIRYNW-UHFFFAOYSA-N 0 0 335.747 2.924 10 5 EFBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)c1ccccc1Cl ZINC000051264975 714825558 /nfs/dbraw/zinc/82/55/58/714825558.db2.gz CDMBTNBPJUFNNA-HNNXBMFYSA-N 0 0 345.742 2.692 10 5 EFBERN CC(=O)N1CCC(Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC000891587642 714836838 /nfs/dbraw/zinc/83/68/38/714836838.db2.gz WUMRXFUGKOFMLH-UHFFFAOYSA-N 0 0 348.790 2.641 10 5 EFBERN C/C(=C/C(=O)N1CCC(=O)C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000891798578 715025490 /nfs/dbraw/zinc/02/54/90/715025490.db2.gz BLBRIVHULAKMLD-LUJNMSEFSA-N 0 0 328.368 2.968 10 5 EFBERN C[C@@H](C(=O)N1CCC(=O)C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000891801677 715027923 /nfs/dbraw/zinc/02/79/23/715027923.db2.gz ORDHRBSTJULXCU-HWPZZCPQSA-N 0 0 334.347 2.808 10 5 EFBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)n(C)n1 ZINC000119608751 715239740 /nfs/dbraw/zinc/23/97/40/715239740.db2.gz ASWUVYSMYJFEOZ-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC000924058685 715252341 /nfs/dbraw/zinc/25/23/41/715252341.db2.gz QALXWANUJIEODK-SWLSCSKDSA-N 0 0 346.383 2.908 10 5 EFBERN C[C@@H](OC(=O)[C@H]1CCCN(C2CC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000924059875 715275016 /nfs/dbraw/zinc/27/50/16/715275016.db2.gz WOPNVTFDWQQBES-RISCZKNCSA-N 0 0 332.356 2.600 10 5 EFBERN C[C@@H](OC(=O)[C@@H]1CCCN(C2CC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000924059873 715275093 /nfs/dbraw/zinc/27/50/93/715275093.db2.gz WOPNVTFDWQQBES-BXUZGUMPSA-N 0 0 332.356 2.600 10 5 EFBERN CC1(C)COC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000313070278 715652243 /nfs/dbraw/zinc/65/22/43/715652243.db2.gz YUAZUMPEJWEISZ-NSHDSACASA-N 0 0 343.177 2.512 10 5 EFBERN CC(C)C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000125135575 715985164 /nfs/dbraw/zinc/98/51/64/715985164.db2.gz DPDCNUSCJZNZFJ-HNNXBMFYSA-N 0 0 332.360 2.907 10 5 EFBERN Cc1c(CNC(=O)NC[C@]23C[C@H]2COC32CCC2)cccc1[N+](=O)[O-] ZINC000894397800 722700821 /nfs/dbraw/zinc/70/08/21/722700821.db2.gz XPAKQUCLXQBEOP-WMLDXEAASA-N 0 0 345.399 2.662 10 5 EFBERN O=[N+]([O-])c1ccc(Br)c(OC[C@@H]2C[C@H]3COC[C@@H]3O2)c1 ZINC000724658742 716033560 /nfs/dbraw/zinc/03/35/60/716033560.db2.gz DVEUGGYZXDLZKU-FWDPORAESA-N 0 0 344.161 2.540 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccccc2)no1 ZINC000052474704 716201089 /nfs/dbraw/zinc/20/10/89/716201089.db2.gz UUTQBUWPLSPNTJ-UHFFFAOYSA-N 0 0 340.295 2.705 10 5 EFBERN COc1ccc(CC(=O)OC[C@@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000893503666 716203692 /nfs/dbraw/zinc/20/36/92/716203692.db2.gz HEBPBWRILQTUHT-DOMZBBRYSA-N 0 0 337.372 2.894 10 5 EFBERN COc1ccc(CC(=O)OC[C@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000893503669 716203787 /nfs/dbraw/zinc/20/37/87/716203787.db2.gz HEBPBWRILQTUHT-WFASDCNBSA-N 0 0 337.372 2.894 10 5 EFBERN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000893504433 716213998 /nfs/dbraw/zinc/21/39/98/716213998.db2.gz JRZIMYDWVBOCOW-LBPRGKRZSA-N 0 0 336.241 2.527 10 5 EFBERN CO[C@]1(C(F)(F)F)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000893504766 716224690 /nfs/dbraw/zinc/22/46/90/716224690.db2.gz KNWMRPQHXOKHOO-GFCCVEGCSA-N 0 0 336.241 2.527 10 5 EFBERN CO[C@]1(C(F)(F)F)CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000893505012 716232675 /nfs/dbraw/zinc/23/26/75/716232675.db2.gz MDLHSXANKRAKEB-CYBMUJFWSA-N 0 0 332.278 2.697 10 5 EFBERN C[C@@H](COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000893507701 716281074 /nfs/dbraw/zinc/28/10/74/716281074.db2.gz VNNTWQCVOSBGOG-BLLLJJGKSA-N 0 0 347.371 2.693 10 5 EFBERN Cc1cnc2n1CC[C@@H]2OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000893518296 716466105 /nfs/dbraw/zinc/46/61/05/716466105.db2.gz KRSHPHUBPZVPDE-AWEZNQCLSA-N 0 0 330.344 2.590 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](c2nccs2)C1 ZINC000893525451 716570509 /nfs/dbraw/zinc/57/05/09/716570509.db2.gz OUSALUXGEYRJPT-LBPRGKRZSA-N 0 0 347.396 2.836 10 5 EFBERN Cc1cnc2n1CC[C@@H]2OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000893533446 716787531 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COc1cccc(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001570746483 1086495505 /nfs/dbraw/zinc/49/55/05/1086495505.db2.gz ZICVMLYPRMDVKT-UHFFFAOYSA-N 0 0 336.294 2.741 10 5 EFBERN CN(CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)Cc1ccccc1 ZINC001570747263 1086496105 /nfs/dbraw/zinc/49/61/05/1086496105.db2.gz RCFYYTMOAXVTHS-UHFFFAOYSA-N 0 0 349.337 2.621 10 5 EFBERN CC[C@@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001570906508 1086606204 /nfs/dbraw/zinc/60/62/04/1086606204.db2.gz OBIOMZOTXFWWCR-DZGCQCFKSA-N 0 0 340.807 2.943 10 5 EFBERN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)nc1C ZINC001646443812 1087772595 /nfs/dbraw/zinc/77/25/95/1087772595.db2.gz HPPGZVYZLOYRIV-UHFFFAOYSA-N 0 0 334.307 2.671 10 5 EFBERN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001646547436 1087858205 /nfs/dbraw/zinc/85/82/05/1087858205.db2.gz DJXGCEKJAHMUSS-IVZWLZJFSA-N 0 0 345.321 2.711 10 5 EFBERN O=C(CN1CCOc2cc(F)c(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC001646567123 1087876601 /nfs/dbraw/zinc/87/66/01/1087876601.db2.gz FUGHDKRDQUKZEY-UHFFFAOYSA-N 0 0 349.293 2.711 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001647758640 1089873285 /nfs/dbraw/zinc/87/32/85/1089873285.db2.gz DOSZRAKBELFKIR-PIGZYNQJSA-N 0 0 339.351 2.928 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1Cc2ccc(O)cc2C1 ZINC001647813742 1089885116 /nfs/dbraw/zinc/88/51/16/1089885116.db2.gz NNTWSQVXVGRQOG-LLVKDONJSA-N 0 0 327.340 2.643 10 5 EFBERN COc1ccc(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)cc1[N+](=O)[O-] ZINC001647810270 1089886525 /nfs/dbraw/zinc/88/65/25/1089886525.db2.gz YPODRVRVMFEILV-HNNXBMFYSA-N 0 0 346.343 2.751 10 5 EFBERN O=[N+]([O-])c1cc(F)c(CN[C@@H](CO)c2ccc(F)cc2F)c(F)c1 ZINC001647837592 1089892143 /nfs/dbraw/zinc/89/21/43/1089892143.db2.gz LNVXJZIYODMTJU-HNNXBMFYSA-N 0 0 344.264 2.974 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1CN[C@@H](CO)c1ccc(F)cc1F ZINC001647838918 1089895462 /nfs/dbraw/zinc/89/54/62/1089895462.db2.gz ZAIYFCQABPXZJU-AWEZNQCLSA-N 0 0 326.274 2.835 10 5 EFBERN O=C(NOCCOc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001647915666 1089908175 /nfs/dbraw/zinc/90/81/75/1089908175.db2.gz UHBXMEYVQRKPQA-UHFFFAOYSA-N 0 0 341.323 2.817 10 5 EFBERN C[C@@H](CNC(=O)Cc1cc(F)ccc1O)c1ccccc1[N+](=O)[O-] ZINC001647995794 1089926037 /nfs/dbraw/zinc/92/60/37/1089926037.db2.gz XPCILTPLKQGNGL-NSHDSACASA-N 0 0 332.331 2.902 10 5 EFBERN CCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(C)s1 ZINC001648033650 1089931992 /nfs/dbraw/zinc/93/19/92/1089931992.db2.gz JWQBJDAPNIKOML-UHFFFAOYSA-N 0 0 348.384 2.549 10 5 EFBERN COc1cc(C=O)ccc1OCC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001648036210 1089935348 /nfs/dbraw/zinc/93/53/48/1089935348.db2.gz CDOVXVNHVAEYIH-UHFFFAOYSA-N 0 0 344.323 2.742 10 5 EFBERN CN(C(=O)CN[C@@H](CF)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001648100421 1089942787 /nfs/dbraw/zinc/94/27/87/1089942787.db2.gz WIPCZPRSQRYCGO-INIZCTEOSA-N 0 0 349.337 2.997 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC12CCCCC2 ZINC001648246147 1089968574 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EFBERN Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCCCC2)c(N)c1[N+](=O)[O-] ZINC001648295943 1089973449 /nfs/dbraw/zinc/97/34/49/1089973449.db2.gz RIDHPAPMGPSBDE-NSHDSACASA-N 0 0 348.403 2.509 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001648295948 1089973555 /nfs/dbraw/zinc/97/35/55/1089973555.db2.gz RKTRDWGEFXXNFE-SECBINFHSA-N 0 0 331.376 2.958 10 5 EFBERN CCn1ncc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1C1CC1 ZINC001648298378 1089974596 /nfs/dbraw/zinc/97/45/96/1089974596.db2.gz FZEDCOZYFIHYMR-UHFFFAOYSA-N 0 0 329.360 2.832 10 5 EFBERN Cc1ccc(NC(=O)c2c[nH]c3cc(=O)ccc-3c2)c(N)c1[N+](=O)[O-] ZINC001648299470 1089974694 /nfs/dbraw/zinc/97/46/94/1089974694.db2.gz PXSFKYQHXKQMET-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC001648308179 1089978900 /nfs/dbraw/zinc/97/89/00/1089978900.db2.gz NHIZHHOMUSCBRB-VNHYZAJKSA-N 0 0 338.791 2.879 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CCc4cc(O)ccc4C3)nc2c1 ZINC001620684284 1091144567 /nfs/dbraw/zinc/14/45/67/1091144567.db2.gz GJDQRTUDZWWHTD-UHFFFAOYSA-N 0 0 325.324 3.000 10 5 EFBERN COc1nnccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001583043221 1091882939 /nfs/dbraw/zinc/88/29/39/1091882939.db2.gz ZVGKXBIVMPXRRF-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN C[C@H]1CCCCN1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001583077630 1091894657 /nfs/dbraw/zinc/89/46/57/1091894657.db2.gz RKHDNIJSLGAIBE-NSHDSACASA-N 0 0 328.372 2.849 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C1CCCCCCC1 ZINC001583087380 1091897299 /nfs/dbraw/zinc/89/72/99/1091897299.db2.gz GGOYDJBRFYASNU-KRWDZBQOSA-N 0 0 334.416 2.975 10 5 EFBERN CNc1ccc(C(=O)NCc2cccc(C)c2OC)cc1[N+](=O)[O-] ZINC001583099052 1091899454 /nfs/dbraw/zinc/89/94/54/1091899454.db2.gz XWIRNRWLNLKZHM-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN CC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC001583105079 1091899529 /nfs/dbraw/zinc/89/95/29/1091899529.db2.gz VYFLOCDUIJPAKZ-AAEUAGOBSA-N 0 0 341.795 2.908 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cccc2[nH]ccc21 ZINC001583175609 1091918713 /nfs/dbraw/zinc/91/87/13/1091918713.db2.gz WAOQMRULJSRBFH-UHFFFAOYSA-N 0 0 343.314 2.910 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(Br)o1 ZINC001583231335 1091938905 /nfs/dbraw/zinc/93/89/05/1091938905.db2.gz NFYSMKGMLSDCPL-UHFFFAOYSA-N 0 0 342.105 2.606 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cccc2c1OCC2(C)C ZINC001583232187 1091938978 /nfs/dbraw/zinc/93/89/78/1091938978.db2.gz ZIFVQMIRFBDZBO-UHFFFAOYSA-N 0 0 343.339 2.921 10 5 EFBERN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001583291168 1091953116 /nfs/dbraw/zinc/95/31/16/1091953116.db2.gz CBRKIHVCCYOLMA-CQSZACIVSA-N 0 0 344.302 2.912 10 5 EFBERN CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001583322007 1091965530 /nfs/dbraw/zinc/96/55/30/1091965530.db2.gz FNERPYUQPOHMCQ-ZOBUZTSGSA-N 0 0 331.372 2.639 10 5 EFBERN CC(=O)c1ccc(N(C)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001583375806 1091981642 /nfs/dbraw/zinc/98/16/42/1091981642.db2.gz BZJPEAVASGVHNO-UHFFFAOYSA-N 0 0 328.324 2.839 10 5 EFBERN Cc1cn(C)nc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001583519579 1092025182 /nfs/dbraw/zinc/02/51/82/1092025182.db2.gz BACVGKRODDHMBQ-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC001583562110 1092038612 /nfs/dbraw/zinc/03/86/12/1092038612.db2.gz FXKAOWAUFWBQDD-QFYYESIMSA-N 0 0 348.330 2.594 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC001583562111 1092039311 /nfs/dbraw/zinc/03/93/11/1092039311.db2.gz FXKAOWAUFWBQDD-QLJPJBMISA-N 0 0 348.330 2.594 10 5 EFBERN Cc1ncc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC001583610371 1092049026 /nfs/dbraw/zinc/04/90/26/1092049026.db2.gz VMSIHEFYLKNGAS-UHFFFAOYSA-N 0 0 338.270 2.855 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCc2cc(F)cnc21 ZINC001583707646 1092059768 /nfs/dbraw/zinc/05/97/68/1092059768.db2.gz UFGKSJUTUYDZKB-UHFFFAOYSA-N 0 0 330.319 2.520 10 5 EFBERN O=C(Nc1nocc1C1CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001583707633 1092059965 /nfs/dbraw/zinc/05/99/65/1092059965.db2.gz TULZSGKGQVSMNR-AWEZNQCLSA-N 0 0 342.311 2.592 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001583851338 1092077238 /nfs/dbraw/zinc/07/72/38/1092077238.db2.gz MDTHESKGBKUHLU-AAEUAGOBSA-N 0 0 332.356 2.880 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1nnc2ccccn21 ZINC001583859948 1092077401 /nfs/dbraw/zinc/07/74/01/1092077401.db2.gz DNGRZJHPBLGTEV-UHFFFAOYSA-N 0 0 339.355 2.527 10 5 EFBERN CC[C@H](OC(=O)c1cc(C)c(C(N)=O)cn1)c1cccc([N+](=O)[O-])c1 ZINC001583950108 1092088561 /nfs/dbraw/zinc/08/85/61/1092088561.db2.gz WOOIJJPMVNDAQQ-HNNXBMFYSA-N 0 0 343.339 2.705 10 5 EFBERN CC[C@H](OC(=O)c1nc2ncc(C)cn2n1)c1cccc([N+](=O)[O-])c1 ZINC001583949580 1092088688 /nfs/dbraw/zinc/08/86/88/1092088688.db2.gz FZOHTMZKTSPZSQ-ZDUSSCGKSA-N 0 0 341.327 2.649 10 5 EFBERN O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001583976119 1092092550 /nfs/dbraw/zinc/09/25/50/1092092550.db2.gz CFZZKWMGAZLGPB-ZDUSSCGKSA-N 0 0 343.314 2.937 10 5 EFBERN CCc1ccc2ccccc2c1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001584078200 1092107664 /nfs/dbraw/zinc/10/76/64/1092107664.db2.gz CGHIZBXETCOUES-UHFFFAOYSA-N 0 0 338.367 2.823 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc2oc(=O)[nH]c2cc1F ZINC001584149956 1092118065 /nfs/dbraw/zinc/11/80/65/1092118065.db2.gz ARXOOZPYEGHXTG-UHFFFAOYSA-N 0 0 347.258 2.598 10 5 EFBERN CN(CC(=O)N(C)C1CC(OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001584148858 1092118325 /nfs/dbraw/zinc/11/83/25/1092118325.db2.gz VMFZRDLKYREVMY-UHFFFAOYSA-N 0 0 349.431 2.836 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)NC(=O)C3)c1C ZINC001584160805 1092121015 /nfs/dbraw/zinc/12/10/15/1092121015.db2.gz BRLGNXZDUXGIEO-UHFFFAOYSA-N 0 0 325.324 2.959 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1 ZINC001584282042 1092137444 /nfs/dbraw/zinc/13/74/44/1092137444.db2.gz IBXYXQOMEMBNKN-UHFFFAOYSA-N 0 0 348.746 2.878 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001584295138 1092138996 /nfs/dbraw/zinc/13/89/96/1092138996.db2.gz WUJRUOZQYFHRPX-BBRMVZONSA-N 0 0 346.314 2.805 10 5 EFBERN CN(Cc1c[nH]cn1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001584327479 1092145215 /nfs/dbraw/zinc/14/52/15/1092145215.db2.gz UAAOWSMUODGQME-UHFFFAOYSA-N 0 0 329.143 2.897 10 5 EFBERN CN(Cc1c[nH]cn1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001584327197 1092145700 /nfs/dbraw/zinc/14/57/00/1092145700.db2.gz PGYDLESHFIKDMF-UHFFFAOYSA-N 0 0 328.250 2.609 10 5 EFBERN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H](CO)Cc1ccccc1 ZINC001584333010 1092146992 /nfs/dbraw/zinc/14/69/92/1092146992.db2.gz RKLROMACYVJLDE-AWEZNQCLSA-N 0 0 348.786 2.924 10 5 EFBERN CCN(C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC001584416088 1092166838 /nfs/dbraw/zinc/16/68/38/1092166838.db2.gz KTMKBZPDQGYYLK-UHFFFAOYSA-N 0 0 341.367 2.686 10 5 EFBERN Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n(-c2cccc(Cl)c2)n1 ZINC001584574590 1092208198 /nfs/dbraw/zinc/20/81/98/1092208198.db2.gz RPXOQVIOUDWVKW-UHFFFAOYSA-N 0 0 346.734 2.718 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC(Cc2ccoc2)C1 ZINC001648411631 1092212641 /nfs/dbraw/zinc/21/26/41/1092212641.db2.gz UVYSAYOESODBOK-UHFFFAOYSA-N 0 0 325.324 2.984 10 5 EFBERN O=C(NCCN1Cc2ccccc2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001648504462 1092224422 /nfs/dbraw/zinc/22/44/22/1092224422.db2.gz PGQMEWVCQVKWAC-UHFFFAOYSA-N 0 0 345.786 2.994 10 5 EFBERN Cc1ccn(C[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC001584644960 1092231790 /nfs/dbraw/zinc/23/17/90/1092231790.db2.gz QMXLOTTZSWTROX-LLVKDONJSA-N 0 0 339.355 2.923 10 5 EFBERN COC(=O)N(C)CCCC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001584645663 1092232408 /nfs/dbraw/zinc/23/24/08/1092232408.db2.gz ZCBCUDTWEAGAFE-UHFFFAOYSA-N 0 0 346.343 2.560 10 5 EFBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc(OC)c1Cl ZINC001584649049 1092232954 /nfs/dbraw/zinc/23/29/54/1092232954.db2.gz LVJHFGMLULEGAI-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN Cn1nnc2cc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC001584672593 1092239835 /nfs/dbraw/zinc/23/98/35/1092239835.db2.gz WYYJZYSAJFIWRL-UHFFFAOYSA-N 0 0 347.281 2.607 10 5 EFBERN Cc1c2nc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])sc2ccc1F ZINC001648654528 1092247341 /nfs/dbraw/zinc/24/73/41/1092247341.db2.gz FVTWWEVGHAXEHL-UHFFFAOYSA-N 0 0 347.331 2.882 10 5 EFBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc2c(c1)C=CCCC2 ZINC001584728294 1092263546 /nfs/dbraw/zinc/26/35/46/1092263546.db2.gz IRAMABJHCAKJDM-UHFFFAOYSA-N 0 0 339.351 2.745 10 5 EFBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC(O)(c2ccccc2)C1 ZINC001648768222 1092265457 /nfs/dbraw/zinc/26/54/57/1092265457.db2.gz JMSQYNJOABKPLL-UHFFFAOYSA-N 0 0 332.743 2.592 10 5 EFBERN CCc1ccc(C(=O)N[C@H](C[C@@H](C)CC)C(=O)OC)cc1[N+](=O)[O-] ZINC001584757553 1092272503 /nfs/dbraw/zinc/27/25/03/1092272503.db2.gz HWOLGVMNSDUYPA-SMDDNHRTSA-N 0 0 336.388 2.865 10 5 EFBERN CCc1ccc(C(=O)N[C@@H](C[C@H](C)CC)C(=O)OC)cc1[N+](=O)[O-] ZINC001584757552 1092273495 /nfs/dbraw/zinc/27/34/95/1092273495.db2.gz HWOLGVMNSDUYPA-RISCZKNCSA-N 0 0 336.388 2.865 10 5 EFBERN Cc1cc(OCC(=O)Nc2cc3ccccc3nn2)ccc1[N+](=O)[O-] ZINC001584796572 1092288517 /nfs/dbraw/zinc/28/85/17/1092288517.db2.gz MULRBYNIMDOUQI-UHFFFAOYSA-N 0 0 338.323 2.864 10 5 EFBERN COc1cc(C(=O)Nc2nccc3cc[nH]c32)c([N+](=O)[O-])cc1OC ZINC001584833658 1092302497 /nfs/dbraw/zinc/30/24/97/1092302497.db2.gz RHSWMNFVGFFIEH-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN Cc1[nH]nc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC001584842331 1092304843 /nfs/dbraw/zinc/30/48/43/1092304843.db2.gz JAANUBDESGGTID-UHFFFAOYSA-N 0 0 340.343 2.588 10 5 EFBERN CN1Cc2c(cccc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1=O ZINC001584909730 1092322566 /nfs/dbraw/zinc/32/25/66/1092322566.db2.gz XALWXNAVYQHOGH-UHFFFAOYSA-N 0 0 329.287 2.572 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC001584941825 1092332845 /nfs/dbraw/zinc/33/28/45/1092332845.db2.gz DUYOTJIRCSLQHG-OAHLLOKOSA-N 0 0 342.355 2.665 10 5 EFBERN COc1ccc(OC(=O)c2cccn(C(C)(C)C)c2=O)cc1[N+](=O)[O-] ZINC001584977639 1092343054 /nfs/dbraw/zinc/34/30/54/1092343054.db2.gz LFJHARIXZQHBHZ-UHFFFAOYSA-N 0 0 346.339 2.739 10 5 EFBERN COc1ccc(OC(=O)[C@H]2CCc3ccccc3O2)cc1[N+](=O)[O-] ZINC001584977853 1092343142 /nfs/dbraw/zinc/34/31/42/1092343142.db2.gz MPUFYWCGQIBJPT-MRXNPFEDSA-N 0 0 329.308 2.903 10 5 EFBERN COC(=O)c1ncccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001584993038 1092348276 /nfs/dbraw/zinc/34/82/76/1092348276.db2.gz SIWFQSLISCFLMW-CHWSQXEVSA-N 0 0 341.323 2.519 10 5 EFBERN CN(CC(=O)Nc1cc2cc[nH]c2cn1)c1ccccc1[N+](=O)[O-] ZINC001585009294 1092350390 /nfs/dbraw/zinc/35/03/90/1092350390.db2.gz TYLDQDXAUSZVFP-UHFFFAOYSA-N 0 0 325.328 2.546 10 5 EFBERN COc1cccnc1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001585123265 1092377359 /nfs/dbraw/zinc/37/73/59/1092377359.db2.gz DUOAOKMVAUSWIB-UHFFFAOYSA-N 0 0 333.369 2.650 10 5 EFBERN CCc1cccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC001585232846 1092414271 /nfs/dbraw/zinc/41/42/71/1092414271.db2.gz UJZBFHFZJCQEBQ-UHFFFAOYSA-N 0 0 327.384 2.910 10 5 EFBERN Cc1cnc(COC(=O)c2ccc3cccnc3n2)c(C)c1[N+](=O)[O-] ZINC001585240480 1092415542 /nfs/dbraw/zinc/41/55/42/1092415542.db2.gz VAUCXGAZYINRMS-UHFFFAOYSA-N 0 0 338.323 2.907 10 5 EFBERN CCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc(Cl)n1 ZINC001585249980 1092421431 /nfs/dbraw/zinc/42/14/31/1092421431.db2.gz YSUIOMJYYWTTAJ-UHFFFAOYSA-N 0 0 348.746 2.557 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnccc1C(F)(F)F ZINC001585273000 1092428063 /nfs/dbraw/zinc/42/80/63/1092428063.db2.gz BJLMABPGKYBRHE-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN COc1cc(OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1F ZINC001585343751 1092454410 /nfs/dbraw/zinc/45/44/10/1092454410.db2.gz ORZSWFMZFVZQNZ-UHFFFAOYSA-N 0 0 335.243 2.690 10 5 EFBERN CCOC(=O)c1c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)ccn1C ZINC001585344907 1092454683 /nfs/dbraw/zinc/45/46/83/1092454683.db2.gz YZYMLJMXJRSTPB-UHFFFAOYSA-N 0 0 331.328 2.671 10 5 EFBERN Cc1ccncc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001585346724 1092455634 /nfs/dbraw/zinc/45/56/34/1092455634.db2.gz VRXHEFSMQLHWRQ-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1cc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)ccc1[N+](=O)[O-] ZINC000040884391 1092461609 /nfs/dbraw/zinc/46/16/09/1092461609.db2.gz QYWSXZIWSMBNFE-NSHDSACASA-N 0 0 334.357 2.859 10 5 EFBERN COc1cc(C(=O)N[C@@H]2COCc3ccccc32)c([N+](=O)[O-])cc1F ZINC001585389870 1092470943 /nfs/dbraw/zinc/47/09/43/1092470943.db2.gz GGIXFADROKWLOY-CQSZACIVSA-N 0 0 346.314 2.744 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3c(cccc3C)n2)c1 ZINC001585531851 1092513496 /nfs/dbraw/zinc/51/34/96/1092513496.db2.gz FPYMDYJKXPYBAR-UHFFFAOYSA-N 0 0 338.367 2.832 10 5 EFBERN COc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1N)CCC2 ZINC001585610104 1092522873 /nfs/dbraw/zinc/52/28/73/1092522873.db2.gz KEIIZDSCCMTLCG-UHFFFAOYSA-N 0 0 327.340 2.779 10 5 EFBERN Cc1nnc(CC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)o1 ZINC001585660327 1092538610 /nfs/dbraw/zinc/53/86/10/1092538610.db2.gz KEZVEXQWRNUMOA-UHFFFAOYSA-N 0 0 344.249 2.795 10 5 EFBERN CN(C)c1ncccc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001585833074 1092589854 /nfs/dbraw/zinc/58/98/54/1092589854.db2.gz VLSBUZOOLJIZDP-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnc(Cl)cn1 ZINC001585838426 1092592397 /nfs/dbraw/zinc/59/23/97/1092592397.db2.gz YXGUDHJQRZGYPO-UHFFFAOYSA-N 0 0 329.703 2.839 10 5 EFBERN CCOC(=O)NCCCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585842062 1092594432 /nfs/dbraw/zinc/59/44/32/1092594432.db2.gz QUDPMGFXJLCOSU-UHFFFAOYSA-N 0 0 346.343 2.608 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncnc1C ZINC001585870855 1092604625 /nfs/dbraw/zinc/60/46/25/1092604625.db2.gz CPLVVCIMLDMSFL-UHFFFAOYSA-N 0 0 348.384 2.684 10 5 EFBERN Cc1ncncc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001585872015 1092604843 /nfs/dbraw/zinc/60/48/43/1092604843.db2.gz LYXUEOHSOLGKQR-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN CN(C(=O)c1ncc2cc(Cl)ccn21)c1ccc([N+](=O)[O-])nc1 ZINC001585986585 1092644664 /nfs/dbraw/zinc/64/46/64/1092644664.db2.gz PGRWLKWPLOQEBJ-UHFFFAOYSA-N 0 0 331.719 2.568 10 5 EFBERN CCOC(=O)NCCCC(=O)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001586002959 1092650918 /nfs/dbraw/zinc/65/09/18/1092650918.db2.gz QBHIMSMVXWTSHS-UHFFFAOYSA-N 0 0 349.387 2.790 10 5 EFBERN O=C(c1cnn2cccnc12)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001586002804 1092651182 /nfs/dbraw/zinc/65/11/82/1092651182.db2.gz NOWGVWLKSRFUQA-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN O=C(Nc1cc2ccccc2nn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001586029246 1092659101 /nfs/dbraw/zinc/65/91/01/1092659101.db2.gz TWTHRUYVWRLHDT-UHFFFAOYSA-N 0 0 334.295 2.667 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC001586145192 1092691092 /nfs/dbraw/zinc/69/10/92/1092691092.db2.gz CALCCVNOHGMDRI-MRVPVSSYSA-N 0 0 336.373 2.841 10 5 EFBERN O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1cc(F)ccc1[N+](=O)[O-] ZINC001586185737 1092706256 /nfs/dbraw/zinc/70/62/56/1092706256.db2.gz ABLUXFIUGDNQCQ-CQSZACIVSA-N 0 0 343.314 2.937 10 5 EFBERN Nc1ncc(C(=O)N2CCSC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001586208140 1092710249 /nfs/dbraw/zinc/71/02/49/1092710249.db2.gz DKNLFRPQPPUPAM-AWEZNQCLSA-N 0 0 344.396 2.502 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nccc(COC)n1 ZINC001586325180 1092723889 /nfs/dbraw/zinc/72/38/89/1092723889.db2.gz YGFALKYXIVUBEP-UHFFFAOYSA-N 0 0 348.384 2.896 10 5 EFBERN COc1ccc(CC(=O)Nc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC001586352745 1092726306 /nfs/dbraw/zinc/72/63/06/1092726306.db2.gz NXXMMFXPUGHXQG-UHFFFAOYSA-N 0 0 340.339 2.671 10 5 EFBERN Cc1cc(NC(=O)c2cnc(C(F)(F)F)nc2)cc([N+](=O)[O-])c1 ZINC001586467464 1092736405 /nfs/dbraw/zinc/73/64/05/1092736405.db2.gz OHTGKOTWRWIRFD-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1c2ccc(F)cc2NC(=O)C12CCC2 ZINC001586470420 1092737130 /nfs/dbraw/zinc/73/71/30/1092737130.db2.gz OCIUSWGVLWJSCM-UHFFFAOYSA-N 0 0 345.286 2.849 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001586498405 1092739326 /nfs/dbraw/zinc/73/93/26/1092739326.db2.gz SCGRSMJEHMCVAI-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN Nc1c(C(=O)N2CC(c3ccccn3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001586535572 1092741986 /nfs/dbraw/zinc/74/19/86/1092741986.db2.gz YCTYQRXQPJREKR-UHFFFAOYSA-N 0 0 348.362 2.965 10 5 EFBERN O=C(Nc1ccnc(F)c1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001586660276 1092749716 /nfs/dbraw/zinc/74/97/16/1092749716.db2.gz CRXSTSOCYQACTE-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C(F)F)ccc1F ZINC001586700559 1092751766 /nfs/dbraw/zinc/75/17/66/1092751766.db2.gz MIFXOLKLKDYQCO-UHFFFAOYSA-N 0 0 328.250 2.815 10 5 EFBERN Cc1cc(F)cc(C(=O)Nc2cn(-c3ccccc3)nn2)c1[N+](=O)[O-] ZINC001586687136 1092751889 /nfs/dbraw/zinc/75/18/89/1092751889.db2.gz DBYBZMWWAJPVND-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN C[C@H](Oc1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721089 1092754133 /nfs/dbraw/zinc/75/41/33/1092754133.db2.gz RUZLWSACKXOGSO-NSHDSACASA-N 0 0 338.323 2.944 10 5 EFBERN O=C(CCOC1CCOCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586720606 1092754826 /nfs/dbraw/zinc/75/48/26/1092754826.db2.gz MZWLAGHAPPYMIZ-UHFFFAOYSA-N 0 0 345.355 2.667 10 5 EFBERN C[C@H]1Cc2cnccc2N1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001586733500 1092756077 /nfs/dbraw/zinc/75/60/77/1092756077.db2.gz UULBHQVEAXOSFX-LBPRGKRZSA-N 0 0 349.350 2.767 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3cn(C)nn3)c2)c1 ZINC001586734012 1092756154 /nfs/dbraw/zinc/75/61/54/1092756154.db2.gz IGCPEICXVZKCFP-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN COc1cc(C(=O)Nc2cc(C(F)(F)F)nn2C)ccc1[N+](=O)[O-] ZINC001586795478 1092759405 /nfs/dbraw/zinc/75/94/05/1092759405.db2.gz GHYGZRHAHTVMPX-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCNc1ccccc1 ZINC001586790723 1092759463 /nfs/dbraw/zinc/75/94/63/1092759463.db2.gz GIMKFTJHHMIOIM-UHFFFAOYSA-N 0 0 329.356 2.835 10 5 EFBERN CNc1ccccc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001586795719 1092759579 /nfs/dbraw/zinc/75/95/79/1092759579.db2.gz RSSQRKVYDKDFFM-UHFFFAOYSA-N 0 0 329.312 2.675 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2ccccn12 ZINC001586827020 1092761917 /nfs/dbraw/zinc/76/19/17/1092761917.db2.gz YWIVAADVSQCSKX-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCO[C@H](CC)C1 ZINC001586877454 1092765070 /nfs/dbraw/zinc/76/50/70/1092765070.db2.gz ARQKXEIOIYPUHV-HIFRSBDPSA-N 0 0 335.404 2.731 10 5 EFBERN CCS[C@H]1CC[C@@H](N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001586919293 1092768539 /nfs/dbraw/zinc/76/85/39/1092768539.db2.gz COGPOIBSDJCGQF-SFYZADRCSA-N 0 0 332.813 2.718 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](c2ccccc2)CO1 ZINC001586938564 1092770276 /nfs/dbraw/zinc/77/02/76/1092770276.db2.gz NPAQKAXBZMMEKS-PXAZEXFGSA-N 0 0 341.367 2.779 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cnc2nccnc2c1 ZINC001586999573 1092774787 /nfs/dbraw/zinc/77/47/87/1092774787.db2.gz UFVLWICYTPTFKC-UHFFFAOYSA-N 0 0 346.306 2.734 10 5 EFBERN O=C(NCC(F)(F)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC001587005880 1092776172 /nfs/dbraw/zinc/77/61/72/1092776172.db2.gz RKNNEAKDOWSBLJ-UHFFFAOYSA-N 0 0 325.246 2.651 10 5 EFBERN CC1(C)CCC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC001587236696 1092793804 /nfs/dbraw/zinc/79/38/04/1092793804.db2.gz YINYZBABIMGFMY-KRWDZBQOSA-N 0 0 335.404 2.628 10 5 EFBERN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001587328081 1092801783 /nfs/dbraw/zinc/80/17/83/1092801783.db2.gz BEZCUTDWGDDKQN-KRWDZBQOSA-N 0 0 343.383 2.681 10 5 EFBERN Cc1ccc(F)c(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC001587377367 1092807548 /nfs/dbraw/zinc/80/75/48/1092807548.db2.gz LNKWTPKIFUWLMG-UHFFFAOYSA-N 0 0 346.318 2.803 10 5 EFBERN Cn1ccc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001587411356 1092811408 /nfs/dbraw/zinc/81/14/08/1092811408.db2.gz IKTDBZLXSBDXNO-LLVKDONJSA-N 0 0 329.234 2.789 10 5 EFBERN COc1ccc(/C=C\C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC001587559567 1092823206 /nfs/dbraw/zinc/82/32/06/1092823206.db2.gz CXOODDXQLIRDIM-VURMDHGXSA-N 0 0 342.351 2.947 10 5 EFBERN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001587607492 1092829796 /nfs/dbraw/zinc/82/97/96/1092829796.db2.gz MNYFIUXHCSOYRU-RFAUZJTJSA-N 0 0 336.294 2.784 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@@H]1CCOC1)C1CC1 ZINC001587611114 1092831072 /nfs/dbraw/zinc/83/10/72/1092831072.db2.gz JDVQVELAHBRBHZ-LBPRGKRZSA-N 0 0 338.791 2.818 10 5 EFBERN CC[C@@H](C[C@@H](C)O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001587731754 1092844948 /nfs/dbraw/zinc/84/49/48/1092844948.db2.gz OXFBORARTHHFIT-PWSUYJOCSA-N 0 0 349.412 2.998 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)nn1 ZINC001587725160 1092845194 /nfs/dbraw/zinc/84/51/94/1092845194.db2.gz KWGZVTFRBSKTGP-ZETCQYMHSA-N 0 0 340.698 2.583 10 5 EFBERN CC[C@@H](C[C@H](C)O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001587731753 1092845658 /nfs/dbraw/zinc/84/56/58/1092845658.db2.gz OXFBORARTHHFIT-JQWIXIFHSA-N 0 0 349.412 2.998 10 5 EFBERN Cc1noc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cn2)n1 ZINC001587737324 1092847565 /nfs/dbraw/zinc/84/75/65/1092847565.db2.gz XCUBNXXKKPOZQW-UHFFFAOYSA-N 0 0 325.284 2.601 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccnc(C(F)(F)F)c1 ZINC001587748980 1092849107 /nfs/dbraw/zinc/84/91/07/1092849107.db2.gz LWJMIXSJPGZATO-UHFFFAOYSA-N 0 0 339.273 2.868 10 5 EFBERN COc1ccc(C[C@@H]2CCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001587779584 1092851476 /nfs/dbraw/zinc/85/14/76/1092851476.db2.gz JXBQVVBHAPZJLA-AWEZNQCLSA-N 0 0 341.367 2.643 10 5 EFBERN Cc1nc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[nH]c1C ZINC001587805262 1092855409 /nfs/dbraw/zinc/85/54/09/1092855409.db2.gz QLLFTFFNJWTHNW-UHFFFAOYSA-N 0 0 340.742 2.586 10 5 EFBERN O=C(NCc1nc2ccccc2s1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001587849159 1092860830 /nfs/dbraw/zinc/86/08/30/1092860830.db2.gz ZBBJEICGMKWKDZ-UHFFFAOYSA-N 0 0 337.748 2.511 10 5 EFBERN COC(=O)[C@]1(C)CCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588526113 1092863146 /nfs/dbraw/zinc/86/31/46/1092863146.db2.gz FUMJHHCSUPUKPO-CPFIRTDXSA-N 0 0 332.356 2.552 10 5 EFBERN Cc1cccc2c1C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)CO2 ZINC001587920268 1092869042 /nfs/dbraw/zinc/86/90/42/1092869042.db2.gz RVGPJOLYWDIOSI-SNVBAGLBSA-N 0 0 348.305 2.915 10 5 EFBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCn2ccnc21 ZINC001587940603 1092871927 /nfs/dbraw/zinc/87/19/27/1092871927.db2.gz JNLPVNUNPKAAMI-UHFFFAOYSA-N 0 0 327.127 2.759 10 5 EFBERN Cc1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c(=O)n(C)c1 ZINC001587949681 1092872179 /nfs/dbraw/zinc/87/21/79/1092872179.db2.gz FFJCPQWLQMZOGF-UHFFFAOYSA-N 0 0 339.710 2.647 10 5 EFBERN Cc1cc(C)cc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC001587953217 1092873217 /nfs/dbraw/zinc/87/32/17/1092873217.db2.gz MFHHPICILBLMHL-UHFFFAOYSA-N 0 0 338.367 2.878 10 5 EFBERN COc1cc(C(=O)OCc2coc(C3CC3)n2)c([N+](=O)[O-])cc1F ZINC001588004846 1092882979 /nfs/dbraw/zinc/88/29/79/1092882979.db2.gz ICNFYAOMKQYUMU-UHFFFAOYSA-N 0 0 336.275 2.965 10 5 EFBERN CC(=O)NCc1cccc(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001588036425 1092885749 /nfs/dbraw/zinc/88/57/49/1092885749.db2.gz RFMASXQWSLTKMS-UHFFFAOYSA-N 0 0 342.351 2.896 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2F)CC1 ZINC001588163680 1092899027 /nfs/dbraw/zinc/89/90/27/1092899027.db2.gz HFTUKVYQVRQQJB-UHFFFAOYSA-N 0 0 347.321 2.835 10 5 EFBERN CC1(C)OC[C@H](/C=C/C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC001588200013 1092902073 /nfs/dbraw/zinc/90/20/73/1092902073.db2.gz ZGHZTIHHAMYDPB-FDMDGMSGSA-N 0 0 346.383 2.794 10 5 EFBERN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC001267147027 1092907573 /nfs/dbraw/zinc/90/75/73/1092907573.db2.gz CASGUPJMBMGSTF-LSDHHAIUSA-N 0 0 325.324 2.935 10 5 EFBERN Cc1ccc([C@@H](O)CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC001588242183 1092907733 /nfs/dbraw/zinc/90/77/33/1092907733.db2.gz KCSDCHSHSHXHBE-HNNXBMFYSA-N 0 0 344.367 2.768 10 5 EFBERN CCOc1ccc(N(CC)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001588313621 1092916761 /nfs/dbraw/zinc/91/67/61/1092916761.db2.gz NZEIIEKIGKQNEL-UHFFFAOYSA-N 0 0 331.328 2.761 10 5 EFBERN COC(=O)[C@@H]1CCC[C@@H](OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588554713 1093142158 /nfs/dbraw/zinc/14/21/58/1093142158.db2.gz FIOZWSLIYTVNPT-XCEBJIORSA-N 0 0 333.340 2.883 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000843615334 1093199198 /nfs/dbraw/zinc/19/91/98/1093199198.db2.gz GSZKZMDDGAKXEX-SSCKCOOKSA-N 0 0 345.399 2.514 10 5 EFBERN O=C1OCCN1c1cccc(Nc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001650604509 1093463288 /nfs/dbraw/zinc/46/32/88/1093463288.db2.gz FJFHKZKVLNMLSS-UHFFFAOYSA-N 0 0 334.719 2.765 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(=O)OC ZINC000843616544 1093468209 /nfs/dbraw/zinc/46/82/09/1093468209.db2.gz ABUIIBZHONCRRZ-UFBFGSQYSA-N 0 0 344.314 2.581 10 5 EFBERN CNc1ccc(C(=O)NCc2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC001650732119 1093489211 /nfs/dbraw/zinc/48/92/11/1093489211.db2.gz RSPPSAHLESEJQK-UHFFFAOYSA-N 0 0 326.312 2.708 10 5 EFBERN C[C@@H](Cc1ccco1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001650775281 1093492579 /nfs/dbraw/zinc/49/25/79/1093492579.db2.gz KJFHNOSEJKIROH-JTQLQIEISA-N 0 0 341.327 2.790 10 5 EFBERN Cn1cc([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])cc2Br)n1 ZINC001650769298 1093493111 /nfs/dbraw/zinc/49/31/11/1093493111.db2.gz KTOPJNYYSKWWIQ-UHFFFAOYSA-N 0 0 343.093 2.791 10 5 EFBERN NC(=O)N1CCC[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001650806226 1093494900 /nfs/dbraw/zinc/49/49/00/1093494900.db2.gz PKYFOXHAHUHWEB-MRVPVSSYSA-N 0 0 332.282 2.569 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cc2cnccc2o1 ZINC001650822847 1093496949 /nfs/dbraw/zinc/49/69/49/1093496949.db2.gz WXYIZUYMYGIWIT-VIFPVBQESA-N 0 0 326.312 2.809 10 5 EFBERN CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001650851828 1093499898 /nfs/dbraw/zinc/49/98/98/1093499898.db2.gz XBEKGEFEOIENNK-MRXNPFEDSA-N 0 0 326.352 2.915 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)C[C@H]3CCOC3)c2c1 ZINC001650859526 1093502014 /nfs/dbraw/zinc/50/20/14/1093502014.db2.gz LLFVSUAJYBLZFO-VXGBXAGGSA-N 0 0 331.372 2.801 10 5 EFBERN O=C(NCC1(Cc2ccccc2)CCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001650870690 1093503404 /nfs/dbraw/zinc/50/34/04/1093503404.db2.gz SWDXQBVYVVMREA-UHFFFAOYSA-N 0 0 341.367 2.838 10 5 EFBERN CC(C)OC(=O)CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001650947901 1093513271 /nfs/dbraw/zinc/51/32/71/1093513271.db2.gz QHNONNSHSSPPNE-UHFFFAOYSA-N 0 0 349.387 2.631 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCCOC(F)F)c2c1 ZINC001651004773 1093517915 /nfs/dbraw/zinc/51/79/15/1093517915.db2.gz JLARYDLHFRWNCB-UHFFFAOYSA-N 0 0 327.287 2.615 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCn3c(cc4c3cccc4Cl)C2)n1 ZINC001651014439 1093518770 /nfs/dbraw/zinc/51/87/70/1093518770.db2.gz CVMZZOFKJLLSIH-UHFFFAOYSA-N 0 0 331.763 2.957 10 5 EFBERN COCC1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCC1 ZINC001651009883 1093518858 /nfs/dbraw/zinc/51/88/58/1093518858.db2.gz CXGQRZRCHLTDEP-UHFFFAOYSA-N 0 0 346.343 2.702 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCC[C@@H]3CCOC3)c2c1 ZINC001651067195 1093522687 /nfs/dbraw/zinc/52/26/87/1093522687.db2.gz LLYQHWGWQQWRHS-LLVKDONJSA-N 0 0 346.343 2.702 10 5 EFBERN O=[N+]([O-])c1c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1C(F)(F)F ZINC001651070116 1093523651 /nfs/dbraw/zinc/52/36/51/1093523651.db2.gz RSGBTBQQKYENCM-PHIMTYICSA-N 0 0 345.321 2.889 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001651090528 1093525654 /nfs/dbraw/zinc/52/56/54/1093525654.db2.gz WMCWLAQZDGPTPL-JTQLQIEISA-N 0 0 336.344 2.717 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1NC1CN(C(=O)OCc2ccccc2)C1 ZINC001651137987 1093530971 /nfs/dbraw/zinc/53/09/71/1093530971.db2.gz HEPOXYAXHQXNMS-UHFFFAOYSA-N 0 0 342.355 2.731 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N[C@H]1CCc2nnnn2CC1 ZINC001651155359 1093532811 /nfs/dbraw/zinc/53/28/11/1093532811.db2.gz GECICJQATGLNBF-ZETCQYMHSA-N 0 0 343.174 2.705 10 5 EFBERN CC1(C)CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001651150931 1093532902 /nfs/dbraw/zinc/53/29/02/1093532902.db2.gz BSFDHBSMAVONLN-NSHDSACASA-N 0 0 341.433 2.871 10 5 EFBERN COC(=O)c1ccc2[nH]c(CNc3nc(C)ccc3[N+](=O)[O-])nc2c1 ZINC001651163754 1093533714 /nfs/dbraw/zinc/53/37/14/1093533714.db2.gz QNLLRLAZXNPTLE-UHFFFAOYSA-N 0 0 341.327 2.573 10 5 EFBERN COC(=O)c1cnc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001651166208 1093535082 /nfs/dbraw/zinc/53/50/82/1093535082.db2.gz HNHMVXLATFNXKJ-SSDOTTSWSA-N 0 0 347.356 2.887 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccc(CO)cc1 ZINC001651179237 1093536492 /nfs/dbraw/zinc/53/64/92/1093536492.db2.gz CCSJZGCSPZJXQB-UHFFFAOYSA-N 0 0 327.315 2.808 10 5 EFBERN COC(=O)c1cc(CNc2nccc3c2cccc3[N+](=O)[O-])ccn1 ZINC001651288310 1093548991 /nfs/dbraw/zinc/54/89/91/1093548991.db2.gz IXLUENYIFISQPC-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OC ZINC000843619585 1094385354 /nfs/dbraw/zinc/38/53/54/1094385354.db2.gz OJXLYMGESUQDSD-RNCFNFMXSA-N 0 0 342.779 2.956 10 5 EFBERN COc1nscc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001593909945 1094414441 /nfs/dbraw/zinc/41/44/41/1094414441.db2.gz RTPBXNYFVJDWKI-UHFFFAOYSA-N 0 0 346.727 2.687 10 5 EFBERN CC(C)c1nsc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC001594768698 1094438557 /nfs/dbraw/zinc/43/85/57/1094438557.db2.gz DFVFWEWAMOFWKD-UHFFFAOYSA-N 0 0 325.325 2.543 10 5 EFBERN CC(C)(O)[C@@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001594981296 1094447769 /nfs/dbraw/zinc/44/77/69/1094447769.db2.gz VIXVVZJFLJDFJT-CQSZACIVSA-N 0 0 348.399 2.567 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H](CC)[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC001595021452 1094451397 /nfs/dbraw/zinc/45/13/97/1094451397.db2.gz UKAZZLOFYXKQEV-BLLLJJGKSA-N 0 0 346.387 2.512 10 5 EFBERN CCSc1ccccc1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001595105085 1094453342 /nfs/dbraw/zinc/45/33/42/1094453342.db2.gz YTNSHPFACWDTIX-UHFFFAOYSA-N 0 0 347.396 2.780 10 5 EFBERN COc1cc(C(=O)Nc2cnc3[nH]ccc3c2)cc([N+](=O)[O-])c1C ZINC001595378191 1094463011 /nfs/dbraw/zinc/46/30/11/1094463011.db2.gz SPIQBMVOWMYIPM-UHFFFAOYSA-N 0 0 326.312 2.992 10 5 EFBERN CSc1cccc(C(=O)Nc2c3ncnn3ccc2C)c1[N+](=O)[O-] ZINC001595402573 1094465663 /nfs/dbraw/zinc/46/56/63/1094465663.db2.gz NUTDANYKAILGFP-UHFFFAOYSA-N 0 0 343.368 2.920 10 5 EFBERN Cc1ccn2ncnc2c1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001595401633 1094465796 /nfs/dbraw/zinc/46/57/96/1094465796.db2.gz CPHKVWFLXKFHTR-UHFFFAOYSA-N 0 0 347.281 2.676 10 5 EFBERN COC[C@H](C)Oc1ccc(COC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC001595426542 1094468385 /nfs/dbraw/zinc/46/83/85/1094468385.db2.gz PFNRGQSNMMDNNM-ZDUSSCGKSA-N 0 0 339.388 2.979 10 5 EFBERN COC(=O)c1cccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001595508376 1094474275 /nfs/dbraw/zinc/47/42/75/1094474275.db2.gz GLBSHUUWDNPCKW-UHFFFAOYSA-N 0 0 328.324 2.620 10 5 EFBERN C[C@@H](NC(=O)COc1cccc(C=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC001595525492 1094475410 /nfs/dbraw/zinc/47/54/10/1094475410.db2.gz ZXUCXWHCZYQAFO-GFCCVEGCSA-N 0 0 328.324 2.664 10 5 EFBERN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)o1 ZINC001595528084 1094475550 /nfs/dbraw/zinc/47/55/50/1094475550.db2.gz HEKIZISWVQFGPR-UHFFFAOYSA-N 0 0 326.312 2.612 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cnc2c(cnn2C)c1 ZINC001595543272 1094476390 /nfs/dbraw/zinc/47/63/90/1094476390.db2.gz FTYWRUSRBSPTQF-UHFFFAOYSA-N 0 0 340.339 2.850 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1noc2ccc(F)cc12 ZINC001595558272 1094476605 /nfs/dbraw/zinc/47/66/05/1094476605.db2.gz GJALOAWXZISNDM-UHFFFAOYSA-N 0 0 330.275 2.509 10 5 EFBERN CCCN1C[C@H](C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)CC1=O ZINC001595543671 1094476746 /nfs/dbraw/zinc/47/67/46/1094476746.db2.gz NTHMBYOZRCHPAY-CYBMUJFWSA-N 0 0 334.372 2.513 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCc2ccc(O)c(F)c2)cc1[N+](=O)[O-] ZINC001595588967 1094478571 /nfs/dbraw/zinc/47/85/71/1094478571.db2.gz FVMDTZLPKGXADD-UHFFFAOYSA-N 0 0 339.710 2.605 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H](CCO)c1ccccc1 ZINC001595582929 1094478655 /nfs/dbraw/zinc/47/86/55/1094478655.db2.gz HDDWWLYZFIFJQP-MRXNPFEDSA-N 0 0 332.331 2.930 10 5 EFBERN COCc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001595644201 1094481719 /nfs/dbraw/zinc/48/17/19/1094481719.db2.gz OJYKOSSIZNZSOZ-UHFFFAOYSA-N 0 0 332.331 2.739 10 5 EFBERN Cc1noc(C)c1CN(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001595662013 1094482274 /nfs/dbraw/zinc/48/22/74/1094482274.db2.gz MBEOONJXNFDTKL-UHFFFAOYSA-N 0 0 338.751 2.707 10 5 EFBERN C[C@H]1C(=O)CCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000932849686 1094485706 /nfs/dbraw/zinc/48/57/06/1094485706.db2.gz UQLAPAPCWLMVGP-VIFPVBQESA-N 0 0 327.178 2.911 10 5 EFBERN COc1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1CO ZINC001595781844 1094492290 /nfs/dbraw/zinc/49/22/90/1094492290.db2.gz DNJSNCUFWJSVFI-UHFFFAOYSA-N 0 0 334.303 2.796 10 5 EFBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@H]1c1ccccc1 ZINC001595891952 1094502587 /nfs/dbraw/zinc/50/25/87/1094502587.db2.gz CEXDLGCUEOKNTO-HNNXBMFYSA-N 0 0 349.350 2.763 10 5 EFBERN CC1(C)OC[C@H](/C=C/C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC001596061324 1094510812 /nfs/dbraw/zinc/51/08/12/1094510812.db2.gz ANPRJTBMHASQAD-FUEXJSSKSA-N 0 0 340.763 2.572 10 5 EFBERN Nc1c(C(=O)N[C@]23CCC[C@H]2OCC3)cc2ccccc2c1[N+](=O)[O-] ZINC001596153213 1094516851 /nfs/dbraw/zinc/51/68/51/1094516851.db2.gz AVISRUDCGDVNBE-KDOFPFPSSA-N 0 0 341.367 2.772 10 5 EFBERN C[C@H](Cc1ccccc1Cl)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001596191913 1094517751 /nfs/dbraw/zinc/51/77/51/1094517751.db2.gz SEBJKWHLUMSJIX-SECBINFHSA-N 0 0 334.763 2.586 10 5 EFBERN COC(=O)c1nc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC001596215581 1094518963 /nfs/dbraw/zinc/51/89/63/1094518963.db2.gz AZRNJVLIBISCTF-QMMMGPOBSA-N 0 0 336.325 2.756 10 5 EFBERN COC(=O)Cc1occc1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001596211209 1094519757 /nfs/dbraw/zinc/51/97/57/1094519757.db2.gz ZGBTZDGBGZOERU-JTQLQIEISA-N 0 0 333.296 2.821 10 5 EFBERN CCc1c(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cnn1C(C)(C)C ZINC001596200798 1094519843 /nfs/dbraw/zinc/51/98/43/1094519843.db2.gz RBODQBPLDACNNA-UHFFFAOYSA-N 0 0 347.375 2.765 10 5 EFBERN Cc1nn(CC(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c2ncccc12 ZINC001596229779 1094520356 /nfs/dbraw/zinc/52/03/56/1094520356.db2.gz ZPRGAMDJGHNCFM-GFCCVEGCSA-N 0 0 340.339 2.952 10 5 EFBERN O=C(N[C@@H]1COc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1Cl ZINC001596233177 1094521179 /nfs/dbraw/zinc/52/11/79/1094521179.db2.gz MKXBGJHXGJZHQG-LLVKDONJSA-N 0 0 346.726 2.622 10 5 EFBERN CCc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc1 ZINC001596286698 1094524230 /nfs/dbraw/zinc/52/42/30/1094524230.db2.gz XXAAFQNTSSYDCZ-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN O=C(Cc1cccc(C(F)(F)F)n1)NCc1ccccc1[N+](=O)[O-] ZINC001596291243 1094524462 /nfs/dbraw/zinc/52/44/62/1094524462.db2.gz SVHYPADARDSONR-UHFFFAOYSA-N 0 0 339.273 2.868 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]c(=O)cc1C(F)(F)F ZINC001596291362 1094524710 /nfs/dbraw/zinc/52/47/10/1094524710.db2.gz TYXUVRDTHKAQIK-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN COC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001596347020 1094526572 /nfs/dbraw/zinc/52/65/72/1094526572.db2.gz YXZMEBVHTZPIGF-UHFFFAOYSA-N 0 0 330.300 2.608 10 5 EFBERN CC(C)COc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ncn1 ZINC001596345016 1094526671 /nfs/dbraw/zinc/52/66/71/1094526671.db2.gz SOQCSYKFOYWNBY-UHFFFAOYSA-N 0 0 334.307 2.811 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(C2OCCO2)s1 ZINC001596406626 1094530851 /nfs/dbraw/zinc/53/08/51/1094530851.db2.gz CCQCSZSZRGCXID-UHFFFAOYSA-N 0 0 349.368 2.911 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001596493755 1094533504 /nfs/dbraw/zinc/53/35/04/1094533504.db2.gz RRKNJIQTUUTDBL-UHFFFAOYSA-N 0 0 331.328 2.876 10 5 EFBERN C[C@H](O)C(C)(C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001596555182 1094537555 /nfs/dbraw/zinc/53/75/55/1094537555.db2.gz PEGWSXOCVDPRNX-NSHDSACASA-N 0 0 329.356 2.546 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ncc(C)s1 ZINC001596640288 1094539541 /nfs/dbraw/zinc/53/95/41/1094539541.db2.gz QABSFAOSCSNITH-UHFFFAOYSA-N 0 0 338.320 2.710 10 5 EFBERN CCC[C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001596712295 1094543198 /nfs/dbraw/zinc/54/31/98/1094543198.db2.gz UZCXMHQYRYSDSD-CQSZACIVSA-N 0 0 349.431 2.988 10 5 EFBERN CCC[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001596712294 1094543330 /nfs/dbraw/zinc/54/33/30/1094543330.db2.gz UZCXMHQYRYSDSD-AWEZNQCLSA-N 0 0 349.431 2.988 10 5 EFBERN CCOc1cc(C(=O)Nc2cc(C)nc(C)n2)c([N+](=O)[O-])cc1OC ZINC001596771903 1094546460 /nfs/dbraw/zinc/54/64/60/1094546460.db2.gz NDJFUWRLIVFRRV-UHFFFAOYSA-N 0 0 346.343 2.661 10 5 EFBERN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001596819828 1094547899 /nfs/dbraw/zinc/54/78/99/1094547899.db2.gz OBKQPXOQCAIQNT-UHFFFAOYSA-N 0 0 330.344 2.962 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001596827017 1094548594 /nfs/dbraw/zinc/54/85/94/1094548594.db2.gz OQKKTRMQYVATPU-DZGCQCFKSA-N 0 0 345.286 2.928 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ncon3)CC2)c1C ZINC001596841567 1094549376 /nfs/dbraw/zinc/54/93/76/1094549376.db2.gz LGTVYTDADLZDJT-UHFFFAOYSA-N 0 0 330.344 2.614 10 5 EFBERN COC(=O)c1cc(C(=O)NCCC[C@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC001596910219 1094552263 /nfs/dbraw/zinc/55/22/63/1094552263.db2.gz ODKHPBJDBXFIBY-LBPRGKRZSA-N 0 0 332.356 2.858 10 5 EFBERN COc1ccc(CNC(=O)c2ccc(Cl)cc2N)cc1[N+](=O)[O-] ZINC001596971045 1094557236 /nfs/dbraw/zinc/55/72/36/1094557236.db2.gz VZTDJZGWDCHZCI-UHFFFAOYSA-N 0 0 335.747 2.769 10 5 EFBERN Nc1nccc(C(=O)Nc2ccc(-c3ccccc3)cn2)c1[N+](=O)[O-] ZINC001596994234 1094558614 /nfs/dbraw/zinc/55/86/14/1094558614.db2.gz RBEOMBQHYUUBHC-UHFFFAOYSA-N 0 0 335.323 2.886 10 5 EFBERN C[C@@H](O)C[C@@H]1CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001597043364 1094562001 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2.731 10 5 EFBERN C[C@H](COc1cccc(F)c1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001597244487 1094573128 /nfs/dbraw/zinc/57/31/28/1094573128.db2.gz BSIVHQNWYJDZFL-SNVBAGLBSA-N 0 0 333.319 2.513 10 5 EFBERN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001597267660 1094576307 /nfs/dbraw/zinc/57/63/07/1094576307.db2.gz IFFCXMLGQZLKDC-UHFFFAOYSA-N 0 0 339.351 2.752 10 5 EFBERN COc1ccc(NC(=O)c2cn(C3CC3)c(C)cc2=O)cc1[N+](=O)[O-] ZINC001597260469 1094576379 /nfs/dbraw/zinc/57/63/79/1094576379.db2.gz MZHVWQUWKHGOFH-UHFFFAOYSA-N 0 0 343.339 2.661 10 5 EFBERN COC(=O)c1oc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC001597278714 1094577244 /nfs/dbraw/zinc/57/72/44/1094577244.db2.gz NBKYGKMMLGDYEQ-UHFFFAOYSA-N 0 0 332.312 2.521 10 5 EFBERN Cc1nc2c(cccc2CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001597300380 1094578057 /nfs/dbraw/zinc/57/80/57/1094578057.db2.gz GKJBLTPOZQGBCM-UHFFFAOYSA-N 0 0 339.351 2.946 10 5 EFBERN COC(=O)c1ccc(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC001597300955 1094579127 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EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCCn2ncc(Cl)c21 ZINC001597358821 1094583426 /nfs/dbraw/zinc/58/34/26/1094583426.db2.gz UJASAUYTMDNXFS-UHFFFAOYSA-N 0 0 342.689 2.773 10 5 EFBERN CCc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)nc2)cc1[N+](=O)[O-] ZINC001597427892 1094586726 /nfs/dbraw/zinc/58/67/26/1094586726.db2.gz LXDMESGMDKUPKJ-UHFFFAOYSA-N 0 0 342.355 2.506 10 5 EFBERN C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ccnn1C ZINC001597480930 1094590590 /nfs/dbraw/zinc/59/05/90/1094590590.db2.gz HNOPETVNZNGMSI-JTQLQIEISA-N 0 0 339.355 2.555 10 5 EFBERN O=C(NCc1cnn2c1CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001597585631 1094602103 /nfs/dbraw/zinc/60/21/03/1094602103.db2.gz XSPJERYFZVFZEL-UHFFFAOYSA-N 0 0 340.339 2.804 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3ccsc3n2)c1C ZINC001597633265 1094607263 /nfs/dbraw/zinc/60/72/63/1094607263.db2.gz LATOBVOTRIPCJT-UHFFFAOYSA-N 0 0 330.369 2.851 10 5 EFBERN COc1c(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)cccc1[N+](=O)[O-] ZINC001597727201 1094616899 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Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)n1 ZINC001598015888 1094646698 /nfs/dbraw/zinc/64/66/98/1094646698.db2.gz NITKGDPVRBDEPG-JTQLQIEISA-N 0 0 344.705 2.718 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2ncc[nH]2)CC1 ZINC001598076800 1094651805 /nfs/dbraw/zinc/65/18/05/1094651805.db2.gz GHBOOLVVBOYYSH-UHFFFAOYSA-N 0 0 348.790 2.920 10 5 EFBERN CC[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001598098523 1094654373 /nfs/dbraw/zinc/65/43/73/1094654373.db2.gz RVDIVWZEMRAVNH-AWEZNQCLSA-N 0 0 342.355 2.849 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001598233408 1094665656 /nfs/dbraw/zinc/66/56/56/1094665656.db2.gz URMICGSFRGAXEG-ZBEGNZNMSA-N 0 0 331.372 2.747 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001598235540 1094666303 /nfs/dbraw/zinc/66/63/03/1094666303.db2.gz LGDQAVRJVUWDIY-UHFFFAOYSA-N 0 0 335.291 2.707 10 5 EFBERN COc1ccccc1C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001598308074 1094668383 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EFBERN Cc1cnc(COC(=O)c2cc(C(F)F)ncn2)c(C)c1[N+](=O)[O-] ZINC001269436539 1098136742 /nfs/dbraw/zinc/13/67/42/1098136742.db2.gz QBANFKZOKFITNX-UHFFFAOYSA-N 0 0 338.270 2.691 10 5 EFBERN CNS(=O)(=O)c1ccc(N[C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000007981098 1098372888 /nfs/dbraw/zinc/37/28/88/1098372888.db2.gz MSYXRJHPRXGVTA-VIFPVBQESA-N 0 0 341.414 2.738 10 5 EFBERN CC(C)c1cccc(O[C@H](C)C(=O)Nc2c([N+](=O)[O-])cnn2C)c1 ZINC001269820563 1098463132 /nfs/dbraw/zinc/46/31/32/1098463132.db2.gz UBFCPVBFATUIFN-LLVKDONJSA-N 0 0 332.360 2.858 10 5 EFBERN COc1ccc(F)c(OC)c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126429874 1098496930 /nfs/dbraw/zinc/49/69/30/1098496930.db2.gz CUGTYDRWFDCBCP-UHFFFAOYSA-N 0 0 346.314 2.954 10 5 EFBERN CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2occc2[nH]1 ZINC001481237095 1098702267 /nfs/dbraw/zinc/70/22/67/1098702267.db2.gz VPGCKXHLFBHSLO-UHFFFAOYSA-N 0 0 342.355 2.531 10 5 EFBERN CC1CC(CNC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC001167735429 1098707940 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2.758 10 5 EFBERN O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630302904 1100292664 /nfs/dbraw/zinc/29/26/64/1100292664.db2.gz RAARRJWIXHSLNS-HIFRSBDPSA-N 0 0 348.742 2.532 10 5 EFBERN Cc1ccnc([C@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC001630333563 1100296051 /nfs/dbraw/zinc/29/60/51/1100296051.db2.gz CEYKTNCSKHHZFZ-LBPRGKRZSA-N 0 0 339.355 2.525 10 5 EFBERN Cc1ccnc([C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC001630335436 1100296469 /nfs/dbraw/zinc/29/64/69/1100296469.db2.gz XTIYHBBRIWTEEB-LLVKDONJSA-N 0 0 341.371 2.759 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001630383064 1100301569 /nfs/dbraw/zinc/30/15/69/1100301569.db2.gz VMJXIUPBNKGHEN-LBPRGKRZSA-N 0 0 339.355 2.819 10 5 EFBERN O=C(NCc1ccccc1CO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001630435042 1100304785 /nfs/dbraw/zinc/30/47/85/1100304785.db2.gz ZQJYYFQRZQXXLA-UHFFFAOYSA-N 0 0 338.722 2.810 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CCO)c1cccs1 ZINC001630514418 1100312426 /nfs/dbraw/zinc/31/24/26/1100312426.db2.gz KTWAMTGTUJAZGA-GFCCVEGCSA-N 0 0 338.360 2.957 10 5 EFBERN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1c(F)cccc1F ZINC001630516854 1100314224 /nfs/dbraw/zinc/31/42/24/1100314224.db2.gz ZSXVSSCBEKVFGZ-UHFFFAOYSA-N 0 0 338.241 2.625 10 5 EFBERN COc1cc(CO)ccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001630534805 1100314828 /nfs/dbraw/zinc/31/48/28/1100314828.db2.gz SOEZQVKCBWXXEP-NSHDSACASA-N 0 0 330.340 2.587 10 5 EFBERN C[C@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001630535019 1100315668 /nfs/dbraw/zinc/31/56/68/1100315668.db2.gz XJQOPZGGPSILIO-OHUAYANFSA-N 0 0 328.372 2.861 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn([C@H]2CCCCO2)c1 ZINC001630553156 1100317026 /nfs/dbraw/zinc/31/70/26/1100317026.db2.gz MCHXETNOTVRMHW-OAHLLOKOSA-N 0 0 346.343 2.751 10 5 EFBERN COCn1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC001630668371 1100327876 /nfs/dbraw/zinc/32/78/76/1100327876.db2.gz XIEPPESQNKESFE-UHFFFAOYSA-N 0 0 344.249 2.666 10 5 EFBERN CCSc1c[nH]c(=O)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC001630713560 1100332129 /nfs/dbraw/zinc/33/21/29/1100332129.db2.gz PVVVKUQPEAJBGA-UHFFFAOYSA-N 0 0 333.369 2.737 10 5 EFBERN C=CC(=O)Nc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC001630713734 1100332572 /nfs/dbraw/zinc/33/25/72/1100332572.db2.gz SYGVTTHGAXXVTQ-UHFFFAOYSA-N 0 0 325.324 2.649 10 5 EFBERN C[C@@H](c1ccccc1)n1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cn1 ZINC001630721321 1100333711 /nfs/dbraw/zinc/33/37/11/1100333711.db2.gz DJJONMFBNROBNB-NSHDSACASA-N 0 0 325.328 2.981 10 5 EFBERN Cc1c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cnn1-c1cccc(C)c1 ZINC001630726411 1100334031 /nfs/dbraw/zinc/33/40/31/1100334031.db2.gz PFESFXIKITYVPE-UHFFFAOYSA-N 0 0 325.328 2.978 10 5 EFBERN O=C(Nc1ccccc1O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001630777581 1100338409 /nfs/dbraw/zinc/33/84/09/1100338409.db2.gz NMJPBBXXMWCWKN-UHFFFAOYSA-N 0 0 334.353 2.637 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)c(N)c([N+](=O)[O-])c1 ZINC001630796561 1100341788 /nfs/dbraw/zinc/34/17/88/1100341788.db2.gz ATIAWHWGYCULDD-ZBFHGGJFSA-N 0 0 333.388 2.563 10 5 EFBERN COc1ccc(C[C@H]2CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001630854773 1100347544 /nfs/dbraw/zinc/34/75/44/1100347544.db2.gz VDWNFTBHQJOTHX-QGZVFWFLSA-N 0 0 340.379 2.990 10 5 EFBERN CN(CCCCNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001630891046 1100350988 /nfs/dbraw/zinc/35/09/88/1100350988.db2.gz VRPMMVBJTGMGBR-UHFFFAOYSA-N 0 0 342.399 2.823 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cc(C(=O)OC)co1 ZINC001630890482 1100351972 /nfs/dbraw/zinc/35/19/72/1100351972.db2.gz JBXMPIPIGDUEOP-GQCTYLIASA-N 0 0 345.311 2.668 10 5 EFBERN Cc1ccc(C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC001630958304 1100357031 /nfs/dbraw/zinc/35/70/31/1100357031.db2.gz OLTWAEGPBVGRTD-UHFFFAOYSA-N 0 0 342.355 2.596 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC001631064928 1100366234 /nfs/dbraw/zinc/36/62/34/1100366234.db2.gz CZCSJISYDMBGDQ-MJHDQNEOSA-N 0 0 344.396 2.625 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc2c1OCC2 ZINC001631094059 1100369271 /nfs/dbraw/zinc/36/92/71/1100369271.db2.gz JOERMGJUPIEXMM-UHFFFAOYSA-N 0 0 334.278 2.738 10 5 EFBERN CC(=O)Oc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc12 ZINC001631137565 1100374005 /nfs/dbraw/zinc/37/40/05/1100374005.db2.gz WVFOAFIFPLVKBQ-UHFFFAOYSA-N 0 0 340.295 2.649 10 5 EFBERN CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC001631297108 1100385431 /nfs/dbraw/zinc/38/54/31/1100385431.db2.gz GZIUTCZZMWSFDH-INIZCTEOSA-N 0 0 330.340 2.690 10 5 EFBERN O=C(Nc1nnc2n1CCCC2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001631305525 1100387493 /nfs/dbraw/zinc/38/74/93/1100387493.db2.gz ODEOULKZCJCXFD-UHFFFAOYSA-N 0 0 339.714 2.567 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2cccc(F)c2)c1C ZINC001631337340 1100389892 /nfs/dbraw/zinc/38/98/92/1100389892.db2.gz KGHPWGROZLLUEP-OAHLLOKOSA-N 0 0 332.331 2.814 10 5 EFBERN COc1ccc(NC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001631347380 1100390887 /nfs/dbraw/zinc/39/08/87/1100390887.db2.gz SPMSYCFZUSALTN-PSLIRLAXSA-N 0 0 330.344 2.631 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2OCCC[C@H]2C1 ZINC001631371081 1100391629 /nfs/dbraw/zinc/39/16/29/1100391629.db2.gz PCFQUIJZRPGIPG-SWLSCSKDSA-N 0 0 338.791 2.818 10 5 EFBERN C[C@]1(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CCCc2ccccc21 ZINC001631362921 1100391869 /nfs/dbraw/zinc/39/18/69/1100391869.db2.gz VIKMXUQSPNXFFY-KRWDZBQOSA-N 0 0 326.356 2.554 10 5 EFBERN Cc1c[nH]c(-c2ccccc2NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n1 ZINC001631421443 1100396815 /nfs/dbraw/zinc/39/68/15/1100396815.db2.gz BBHXNIZJHAOKHQ-UHFFFAOYSA-N 0 0 346.734 2.922 10 5 EFBERN CO/C(=C\c1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001631424007 1100398064 /nfs/dbraw/zinc/39/80/64/1100398064.db2.gz LQSMWPAWQHRJSP-YVLHZVERSA-N 0 0 342.351 2.907 10 5 EFBERN CCOc1ccc(C(=O)NCC2(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC001631506271 1100405490 /nfs/dbraw/zinc/40/54/90/1100405490.db2.gz DYEHTJWHTAOSJV-UHFFFAOYSA-N 0 0 341.367 2.850 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(CCO)cc1 ZINC001631598121 1100412255 /nfs/dbraw/zinc/41/22/55/1100412255.db2.gz HSVCDXUVZOWHDP-UHFFFAOYSA-N 0 0 332.331 2.840 10 5 EFBERN O=C(Nc1ccc(Br)c(CO)c1)c1ccc([N+](=O)[O-])o1 ZINC001631604079 1100412481 /nfs/dbraw/zinc/41/24/81/1100412481.db2.gz SZQVMTVSLFPDIA-UHFFFAOYSA-N 0 0 341.117 2.695 10 5 EFBERN CN(C)c1cccnc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001631665040 1100418440 /nfs/dbraw/zinc/41/84/40/1100418440.db2.gz ICISVNMCVNPJLJ-UHFFFAOYSA-N 0 0 348.790 2.682 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@H](CO)Cc2cccc(F)c21 ZINC001631763232 1100426303 /nfs/dbraw/zinc/42/63/03/1100426303.db2.gz FDIXSBZAEVGZRJ-SNVBAGLBSA-N 0 0 348.305 2.684 10 5 EFBERN CC(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001631790742 1100428819 /nfs/dbraw/zinc/42/88/19/1100428819.db2.gz SPTLIYIKYNDZLZ-UHFFFAOYSA-N 0 0 335.404 2.844 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001631825480 1100430958 /nfs/dbraw/zinc/43/09/58/1100430958.db2.gz HRFPNMXXMJLQHX-GFCCVEGCSA-N 0 0 344.371 2.578 10 5 EFBERN Nc1ncc(C(=O)NCCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001631980747 1100444199 /nfs/dbraw/zinc/44/41/99/1100444199.db2.gz IAUXZJNBYXDDCQ-UHFFFAOYSA-N 0 0 334.763 2.588 10 5 EFBERN CCc1ccncc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001632074402 1100451068 /nfs/dbraw/zinc/45/10/68/1100451068.db2.gz WMXUYNHOSOHJMI-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001632087288 1100452302 /nfs/dbraw/zinc/45/23/02/1100452302.db2.gz QZRDXNXJDUFSGY-UHFFFAOYSA-N 0 0 329.356 2.548 10 5 EFBERN CCc1cccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1O ZINC001632080388 1100452341 /nfs/dbraw/zinc/45/23/41/1100452341.db2.gz FEVQDQXZYFWDRZ-GOSISDBHSA-N 0 0 344.367 2.500 10 5 EFBERN CCCc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC001632143538 1100455240 /nfs/dbraw/zinc/45/52/40/1100455240.db2.gz CXOJVVDZGYXGIQ-UHFFFAOYSA-N 0 0 329.356 2.620 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccccc1-c1cn[nH]c1 ZINC001632144533 1100455669 /nfs/dbraw/zinc/45/56/69/1100455669.db2.gz UMWUBPORDRHJHN-UHFFFAOYSA-N 0 0 336.351 2.957 10 5 EFBERN Nc1cc(F)c(Cl)cc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001632143629 1100455821 /nfs/dbraw/zinc/45/58/21/1100455821.db2.gz DJOZUGKMQYSFCK-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001632150941 1100456557 /nfs/dbraw/zinc/45/65/57/1100456557.db2.gz XXKCDFDYSPPKAN-GFCCVEGCSA-N 0 0 344.342 2.593 10 5 EFBERN CCOC(=O)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001632171080 1100457519 /nfs/dbraw/zinc/45/75/19/1100457519.db2.gz GPVOYFUOMPHZSN-ZDUSSCGKSA-N 0 0 336.388 2.940 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]cnc2c1F ZINC001632259535 1100462852 /nfs/dbraw/zinc/46/28/52/1100462852.db2.gz BPISDDPGKSWOLN-UHFFFAOYSA-N 0 0 340.274 2.739 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncnc2sccc21 ZINC001632260818 1100462862 /nfs/dbraw/zinc/46/28/62/1100462862.db2.gz UNIZPLQRHQJNSK-UHFFFAOYSA-N 0 0 340.324 2.728 10 5 EFBERN O=C(NN1CCc2ccccc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001632274262 1100463744 /nfs/dbraw/zinc/46/37/44/1100463744.db2.gz OKCVXQWRHZOPIB-UHFFFAOYSA-N 0 0 336.351 2.779 10 5 EFBERN CCC[C@@H](Cc1ccccc1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001632406096 1100472592 /nfs/dbraw/zinc/47/25/92/1100472592.db2.gz PQFSJPDNXIOLOO-AWEZNQCLSA-N 0 0 328.372 2.713 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])NC1(CO)CCCCCCC1 ZINC001632435930 1100474105 /nfs/dbraw/zinc/47/41/05/1100474105.db2.gz IVUWNBWIKYLBBB-UHFFFAOYSA-N 0 0 336.388 2.565 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)NC1(CO)CCCCCCC1 ZINC001632435768 1100474334 /nfs/dbraw/zinc/47/43/34/1100474334.db2.gz BGPCRGYXVTXDOG-UHFFFAOYSA-N 0 0 336.388 2.565 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2n[nH]c3ccc(F)cc32)c1[N+](=O)[O-] ZINC001632548625 1100483172 /nfs/dbraw/zinc/48/31/72/1100483172.db2.gz XBMXSZOHYZSDGH-UHFFFAOYSA-N 0 0 332.295 2.538 10 5 EFBERN COc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])sn1 ZINC001632817844 1100502867 /nfs/dbraw/zinc/50/28/67/1100502867.db2.gz DLFKNUFAIKHJAO-UHFFFAOYSA-N 0 0 341.776 2.686 10 5 EFBERN COc1ccc(C2CC2)c(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001632849563 1100503934 /nfs/dbraw/zinc/50/39/34/1100503934.db2.gz YFOFNUALYBBOKY-UHFFFAOYSA-N 0 0 328.328 2.710 10 5 EFBERN CCC[C@](C)(CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001632867228 1100504703 /nfs/dbraw/zinc/50/47/03/1100504703.db2.gz QURYPFOTAVCZOF-GOSISDBHSA-N 0 0 343.383 2.938 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cc2cnccc2o1 ZINC001632915650 1100508133 /nfs/dbraw/zinc/50/81/33/1100508133.db2.gz SQTJGCNJRXEMMP-SECBINFHSA-N 0 0 326.312 2.809 10 5 EFBERN Nc1c(C(=O)N2CCOC[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001632953825 1100510294 /nfs/dbraw/zinc/51/02/94/1100510294.db2.gz SUJTZSJUIKFULI-HNNXBMFYSA-N 0 0 345.330 2.530 10 5 EFBERN CN(Cc1ncccn1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001632987673 1100512536 /nfs/dbraw/zinc/51/25/36/1100512536.db2.gz AJDGXDZGKIWVOM-UHFFFAOYSA-N 0 0 340.261 2.676 10 5 EFBERN Cc1ccc(C[C@H](CO)NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC001632989592 1100514222 /nfs/dbraw/zinc/51/42/22/1100514222.db2.gz YORUTNCPKGJLFT-CYBMUJFWSA-N 0 0 348.786 2.890 10 5 EFBERN COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(C)o1 ZINC001633007229 1100514995 /nfs/dbraw/zinc/51/49/95/1100514995.db2.gz AFCJSTDUYXLKKR-CQSZACIVSA-N 0 0 333.344 2.586 10 5 EFBERN O=C(c1cc2ncccc2o1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001633006237 1100515039 /nfs/dbraw/zinc/51/50/39/1100515039.db2.gz DKVRBJFSZQMGCJ-UHFFFAOYSA-N 0 0 339.307 2.639 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccns1 ZINC001633069198 1100519856 /nfs/dbraw/zinc/51/98/56/1100519856.db2.gz VFZDQFVYTXGIFK-MRVPVSSYSA-N 0 0 341.776 2.788 10 5 EFBERN O=C(Cc1cccc2nsnc21)NCCc1cccc([N+](=O)[O-])c1 ZINC001633260665 1100531720 /nfs/dbraw/zinc/53/17/20/1100531720.db2.gz JEWRSYOPGFUXJK-UHFFFAOYSA-N 0 0 342.380 2.501 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC001633312733 1100535649 /nfs/dbraw/zinc/53/56/49/1100535649.db2.gz GMLPITKCOAIGQU-BXUZGUMPSA-N 0 0 331.376 2.840 10 5 EFBERN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001633370478 1100538972 /nfs/dbraw/zinc/53/89/72/1100538972.db2.gz JFURUHNWYMPYRO-UHFFFAOYSA-N 0 0 338.726 2.637 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C2CC2)[nH]c1=O ZINC001633375325 1100539810 /nfs/dbraw/zinc/53/98/10/1100539810.db2.gz VKWONPGFADDYIP-UHFFFAOYSA-N 0 0 339.311 2.701 10 5 EFBERN Cc1csc(C2(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)CCCC2)n1 ZINC001633410900 1100540482 /nfs/dbraw/zinc/54/04/82/1100540482.db2.gz DYZCALDWECGARU-UHFFFAOYSA-N 0 0 347.400 2.536 10 5 EFBERN CC(=O)c1c(C)cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1C ZINC001633419983 1100540544 /nfs/dbraw/zinc/54/05/44/1100540544.db2.gz BDDARTWIXAGOBI-UHFFFAOYSA-N 0 0 328.328 2.644 10 5 EFBERN CC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001633492118 1100545265 /nfs/dbraw/zinc/54/52/65/1100545265.db2.gz DJGAUXDUJJWJQB-INIZCTEOSA-N 0 0 344.342 2.593 10 5 EFBERN CC[C@H]1Cc2ccccc2CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001633525880 1100547696 /nfs/dbraw/zinc/54/76/96/1100547696.db2.gz OJZPGHYTQHHAHH-NSHDSACASA-N 0 0 334.763 2.948 10 5 EFBERN Cc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c(=O)[nH]1 ZINC001633652217 1100556390 /nfs/dbraw/zinc/55/63/90/1100556390.db2.gz JCTYPZJPDCQVEV-UHFFFAOYSA-N 0 0 339.311 2.646 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC001633784472 1100565549 /nfs/dbraw/zinc/56/55/49/1100565549.db2.gz WBGWHTIEWIWZTH-UHFFFAOYSA-N 0 0 325.324 2.959 10 5 EFBERN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1O ZINC001633826753 1100568478 /nfs/dbraw/zinc/56/84/78/1100568478.db2.gz CJXJPWOGZBROCF-JTQLQIEISA-N 0 0 328.324 2.994 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)c1ccccc1 ZINC001633879327 1100571614 /nfs/dbraw/zinc/57/16/14/1100571614.db2.gz SLXQQCDDANQPKN-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN CC(=O)c1cccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001633882646 1100571724 /nfs/dbraw/zinc/57/17/24/1100571724.db2.gz VEKRQDXDJIXGNJ-UHFFFAOYSA-N 0 0 341.367 2.839 10 5 EFBERN O=Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)co1 ZINC001633932292 1100575216 /nfs/dbraw/zinc/57/52/16/1100575216.db2.gz QIIPVSQBZNJGOE-HNNXBMFYSA-N 0 0 332.337 2.888 10 5 EFBERN O=C(Nc1nc2cc(Cl)ccc2[nH]1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001633944216 1100576537 /nfs/dbraw/zinc/57/65/37/1100576537.db2.gz ZUBRGIQBFKZGTK-UHFFFAOYSA-N 0 0 341.114 2.753 10 5 EFBERN COC(=O)c1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC001634051723 1100581634 /nfs/dbraw/zinc/58/16/34/1100581634.db2.gz AZAWIXSHMFKSDG-SNVBAGLBSA-N 0 0 344.323 2.829 10 5 EFBERN COc1c(C(=O)Nc2cnn([C@H]3CCCCO3)c2)cccc1[N+](=O)[O-] ZINC001634072620 1100582946 /nfs/dbraw/zinc/58/29/46/1100582946.db2.gz VQNLXMAHJJCINX-CQSZACIVSA-N 0 0 346.343 2.751 10 5 EFBERN O=C(N[C@H]1CCn2cncc21)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001634084896 1100583387 /nfs/dbraw/zinc/58/33/87/1100583387.db2.gz KOGUPHHFZHWVRL-AWEZNQCLSA-N 0 0 349.350 2.728 10 5 EFBERN O=C(N[C@H]1CCn2cncc21)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001634085522 1100583407 /nfs/dbraw/zinc/58/34/07/1100583407.db2.gz YLWBYJHGOPQWAA-JTQLQIEISA-N 0 0 341.154 2.973 10 5 EFBERN CC(C)(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 ZINC001634129367 1100586506 /nfs/dbraw/zinc/58/65/06/1100586506.db2.gz FQCFRDQFXOQERS-UHFFFAOYSA-N 0 0 341.367 2.557 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)nc1F ZINC001634186961 1100588984 /nfs/dbraw/zinc/58/89/84/1100588984.db2.gz LDYISVNYLUBWFH-UHFFFAOYSA-N 0 0 349.709 2.589 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC001634321578 1100599870 /nfs/dbraw/zinc/59/98/70/1100599870.db2.gz MKFNSDZALQVJRP-INIZCTEOSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1cc(C)n2ncc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC001634395949 1100605610 /nfs/dbraw/zinc/60/56/10/1100605610.db2.gz GSEFCRLQHRYUDH-GFCCVEGCSA-N 0 0 339.355 2.745 10 5 EFBERN COc1cc(CCO)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001634388383 1100605665 /nfs/dbraw/zinc/60/56/65/1100605665.db2.gz IJIHJVMNBAXUEL-UHFFFAOYSA-N 0 0 334.303 2.530 10 5 EFBERN Cc1ncsc1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634477337 1100610519 /nfs/dbraw/zinc/61/05/19/1100610519.db2.gz BNCDIJQFZZXGBN-UHFFFAOYSA-N 0 0 345.384 2.599 10 5 EFBERN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001634612589 1100618708 /nfs/dbraw/zinc/61/87/08/1100618708.db2.gz BKFBBMMSJQOUSK-AWEZNQCLSA-N 0 0 328.372 2.665 10 5 EFBERN C[C@@H](O)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634651115 1100622276 /nfs/dbraw/zinc/62/22/76/1100622276.db2.gz XFGXKOLTFXNZHN-YPMHNXCESA-N 0 0 340.807 2.943 10 5 EFBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cnc2ccccn21 ZINC001634767173 1100629354 /nfs/dbraw/zinc/62/93/54/1100629354.db2.gz TUHUKPRDDPBZKE-UHFFFAOYSA-N 0 0 348.721 2.965 10 5 EFBERN CSc1ccc([C@@H](C)NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC001634808505 1100630838 /nfs/dbraw/zinc/63/08/38/1100630838.db2.gz VBIPYYQHJQHBDE-SECBINFHSA-N 0 0 332.385 2.785 10 5 EFBERN COc1nnc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])s1 ZINC001634832681 1100631460 /nfs/dbraw/zinc/63/14/60/1100631460.db2.gz GYPPNHHMUJIWGM-UHFFFAOYSA-N 0 0 328.737 2.669 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@H](c3ccccc3C)C2)n1 ZINC001634827382 1100631846 /nfs/dbraw/zinc/63/18/46/1100631846.db2.gz BMXKRTLKNMAZIC-KRWDZBQOSA-N 0 0 341.367 2.820 10 5 EFBERN CCc1c[nH]c(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001634864539 1100632936 /nfs/dbraw/zinc/63/29/36/1100632936.db2.gz LPTPJCNBHFQQMT-UHFFFAOYSA-N 0 0 330.388 2.562 10 5 EFBERN O=C(N[C@H](CO)CC1CCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001634905475 1100634700 /nfs/dbraw/zinc/63/47/00/1100634700.db2.gz AHEXTRYTYXQITC-BHYGNILZSA-N 0 0 332.400 2.756 10 5 EFBERN CC1(CNC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CCC1 ZINC001634968032 1100637981 /nfs/dbraw/zinc/63/79/81/1100637981.db2.gz ZWPBZZNBFVLKEI-UHFFFAOYSA-N 0 0 342.193 2.860 10 5 EFBERN Cc1c(CC(=O)N2CC(Nc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001635012917 1100640498 /nfs/dbraw/zinc/64/04/98/1100640498.db2.gz QQZKAFVGSNDLTM-UHFFFAOYSA-N 0 0 343.358 2.908 10 5 EFBERN CC(=O)c1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC001635102906 1100643375 /nfs/dbraw/zinc/64/33/75/1100643375.db2.gz LATDILDKTWSKQZ-HNNXBMFYSA-N 0 0 332.287 2.609 10 5 EFBERN CC(C)(C)CC[C@@H](CO)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001635093627 1100643794 /nfs/dbraw/zinc/64/37/94/1100643794.db2.gz YWHAUVLDLGJJCC-LBPRGKRZSA-N 0 0 326.368 2.580 10 5 EFBERN CCC(CC)(NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC ZINC001635114623 1100644401 /nfs/dbraw/zinc/64/44/01/1100644401.db2.gz YQCMERJCOMDXFV-UHFFFAOYSA-N 0 0 342.779 2.639 10 5 EFBERN Cc1cc(C(=O)NCc2c(C)cc(CO)cc2C)c(N)c([N+](=O)[O-])c1 ZINC001635212730 1100649507 /nfs/dbraw/zinc/64/95/07/1100649507.db2.gz GNLJWZRIAISSAW-UHFFFAOYSA-N 0 0 343.383 2.525 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001635290365 1100653254 /nfs/dbraw/zinc/65/32/54/1100653254.db2.gz IDKWIJWNZZCEDC-DTWKUNHWSA-N 0 0 341.154 2.911 10 5 EFBERN CSc1cccc(C(=O)N2CCC[C@H](c3ncon3)C2)c1[N+](=O)[O-] ZINC001635319659 1100654371 /nfs/dbraw/zinc/65/43/71/1100654371.db2.gz GAPULYZVCZHAHQ-JTQLQIEISA-N 0 0 348.384 2.720 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001635320532 1100654600 /nfs/dbraw/zinc/65/46/00/1100654600.db2.gz REXIEXLFSSQLJR-CQSZACIVSA-N 0 0 345.742 2.541 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001635320531 1100654618 /nfs/dbraw/zinc/65/46/18/1100654618.db2.gz REXIEXLFSSQLJR-AWEZNQCLSA-N 0 0 345.742 2.541 10 5 EFBERN CNc1nccc(C(=O)N[C@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC001635337421 1100655973 /nfs/dbraw/zinc/65/59/73/1100655973.db2.gz RSXPLMYWWFTALL-MRVPVSSYSA-N 0 0 336.298 2.801 10 5 EFBERN Cc1cc(OCC(=O)Nc2ccc(O)c(F)c2F)ccc1[N+](=O)[O-] ZINC001635379077 1100658489 /nfs/dbraw/zinc/65/84/89/1100658489.db2.gz FIRDHWUYRUYXFH-UHFFFAOYSA-N 0 0 338.266 2.905 10 5 EFBERN Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001635449563 1100662431 /nfs/dbraw/zinc/66/24/31/1100662431.db2.gz VGYMZUGZKZHVRR-WFASDCNBSA-N 0 0 340.383 2.899 10 5 EFBERN COCOc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001635468653 1100663340 /nfs/dbraw/zinc/66/33/40/1100663340.db2.gz NMOIUZUPQIBGPV-UHFFFAOYSA-N 0 0 334.303 2.898 10 5 EFBERN O=C(N[C@@H]1CCC[C@@H]1CO)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001635498697 1100664680 /nfs/dbraw/zinc/66/46/80/1100664680.db2.gz WLUHYZDHYDZIFB-DGCLKSJQSA-N 0 0 347.396 2.609 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3oc(N(C)C)nc3c2)n1 ZINC001635585644 1100668687 /nfs/dbraw/zinc/66/86/87/1100668687.db2.gz CPSCFIZVVDCYBY-UHFFFAOYSA-N 0 0 341.327 2.758 10 5 EFBERN Cn1nccc1[C@@H]1CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635630807 1100671269 /nfs/dbraw/zinc/67/12/69/1100671269.db2.gz XZKGARMYGYHYEU-AWEZNQCLSA-N 0 0 348.790 2.888 10 5 EFBERN C[C@H](C(=O)N1CC[C@@H](c2cnccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC001635791392 1100680250 /nfs/dbraw/zinc/68/02/50/1100680250.db2.gz DWXUGCSCUXOSBO-GXTWGEPZSA-N 0 0 326.356 2.504 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](c2cnccn2)C1 ZINC001635791202 1100680267 /nfs/dbraw/zinc/68/02/67/1100680267.db2.gz AMVZICSWRDWTTC-LLVKDONJSA-N 0 0 338.323 2.761 10 5 EFBERN Cc1ccc(CN(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)nc1 ZINC001635793453 1100680286 /nfs/dbraw/zinc/68/02/86/1100680286.db2.gz SMMJTPVQYFIFQI-UHFFFAOYSA-N 0 0 334.763 2.806 10 5 EFBERN O=C(NCc1nc2c([nH]1)CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001635849831 1100684601 /nfs/dbraw/zinc/68/46/01/1100684601.db2.gz ATVBYZBPSOTUGL-UHFFFAOYSA-N 0 0 339.355 2.608 10 5 EFBERN COc1cccc(-c2cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])on2)c1 ZINC001635898514 1100686400 /nfs/dbraw/zinc/68/64/00/1100686400.db2.gz JGGJGJIFODRPIT-UHFFFAOYSA-N 0 0 347.371 2.802 10 5 EFBERN Cc1ccc(CNC(=O)c2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC001635927544 1100688137 /nfs/dbraw/zinc/68/81/37/1100688137.db2.gz WXPXGNHOORCJIU-XMMPIXPASA-N 0 0 346.408 2.712 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCO)cc1 ZINC001635941043 1100688709 /nfs/dbraw/zinc/68/87/09/1100688709.db2.gz NKUAWEDREULWLP-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1noc2ccc(F)cc21 ZINC001635949268 1100689795 /nfs/dbraw/zinc/68/97/95/1100689795.db2.gz VZDUSXMXMHOOIY-UHFFFAOYSA-N 0 0 347.277 2.873 10 5 EFBERN O=C(N[C@H]1C[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001635954341 1100689851 /nfs/dbraw/zinc/68/98/51/1100689851.db2.gz VKXMXWBGFWDOTQ-BJHJDKERSA-N 0 0 344.392 2.999 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001635990732 1100691101 /nfs/dbraw/zinc/69/11/01/1100691101.db2.gz DRLKJQHHJIGZEA-CYBMUJFWSA-N 0 0 333.731 2.694 10 5 EFBERN Cc1cc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)cc(C(N)=O)c1 ZINC001635990885 1100691108 /nfs/dbraw/zinc/69/11/08/1100691108.db2.gz RJFWKNFHCHZPNH-UHFFFAOYSA-N 0 0 349.293 2.841 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CC(c2nc3ccccc3[nH]2)C1 ZINC001635997712 1100691790 /nfs/dbraw/zinc/69/17/90/1100691790.db2.gz LIMSAXMQLNYQRA-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN CNc1c(C(=O)Nc2ccnn2CC2CCC2)cccc1[N+](=O)[O-] ZINC001636144061 1100702264 /nfs/dbraw/zinc/70/22/64/1100702264.db2.gz FKCSHFBNNNXICL-UHFFFAOYSA-N 0 0 329.360 2.885 10 5 EFBERN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001636136903 1100702351 /nfs/dbraw/zinc/70/23/51/1100702351.db2.gz KRKFKLQOXXFQSF-FZMZJTMJSA-N 0 0 326.356 2.795 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(C(F)F)C1 ZINC001636204658 1100707180 /nfs/dbraw/zinc/70/71/80/1100707180.db2.gz XKRVDKZUBGIBKY-ZETCQYMHSA-N 0 0 334.706 2.739 10 5 EFBERN CC(=O)c1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)ccc1F ZINC001636227635 1100708144 /nfs/dbraw/zinc/70/81/44/1100708144.db2.gz QDVOVIPIKMXDPS-UHFFFAOYSA-N 0 0 326.671 2.565 10 5 EFBERN CON(CC1CCOCC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636443752 1100719442 /nfs/dbraw/zinc/71/94/42/1100719442.db2.gz SJGVGQIIERKAET-UHFFFAOYSA-N 0 0 342.779 2.607 10 5 EFBERN CC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001636485393 1100721641 /nfs/dbraw/zinc/72/16/41/1100721641.db2.gz IPWXNDLNHHWICK-OAHLLOKOSA-N 0 0 342.351 2.995 10 5 EFBERN CN(CC(=O)NCC(=O)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001636491031 1100721805 /nfs/dbraw/zinc/72/18/05/1100721805.db2.gz GZLNNVVJSYZCDN-UHFFFAOYSA-N 0 0 347.415 2.687 10 5 EFBERN O=C(Nc1cc(F)c(O)cc1Cl)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001636519540 1100723072 /nfs/dbraw/zinc/72/30/72/1100723072.db2.gz JLKPKRTXQDRBKD-UHFFFAOYSA-N 0 0 335.078 2.722 10 5 EFBERN O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1csc([N+](=O)[O-])c1 ZINC001636563844 1100726974 /nfs/dbraw/zinc/72/69/74/1100726974.db2.gz NKQCIXPNDWDJHL-HAQNSBGRSA-N 0 0 348.384 2.566 10 5 EFBERN C[C@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1nc[nH]n1 ZINC001636588607 1100728990 /nfs/dbraw/zinc/72/89/90/1100728990.db2.gz VYYVEYOBZAQSKO-BYPYZUCNSA-N 0 0 348.121 2.650 10 5 EFBERN Cc1ccc(NC(=O)c2c[nH]c(=O)c3ccccc23)c(N)c1[N+](=O)[O-] ZINC001636724269 1100734314 /nfs/dbraw/zinc/73/43/14/1100734314.db2.gz VEWDKKJJSAYLQC-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(-c3cn[nH]c3)cn2)c(N)c1[N+](=O)[O-] ZINC001636728966 1100734802 /nfs/dbraw/zinc/73/48/02/1100734802.db2.gz IJGBWHVICWAIDG-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1F ZINC001636729055 1100735106 /nfs/dbraw/zinc/73/51/06/1100735106.db2.gz LFQYXEDWFSSVMV-UHFFFAOYSA-N 0 0 346.318 2.835 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)ccc1C ZINC001636728957 1100735124 /nfs/dbraw/zinc/73/51/24/1100735124.db2.gz HWPLQZJIFGBZES-UHFFFAOYSA-N 0 0 343.339 2.833 10 5 EFBERN O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1cc([N+](=O)[O-])c[nH]1 ZINC001636749445 1100735990 /nfs/dbraw/zinc/73/59/90/1100735990.db2.gz QSQNLFIDTLCNHB-VIFPVBQESA-N 0 0 325.246 2.758 10 5 EFBERN O=C(c1nnc(C2CC2)o1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001636866442 1100742838 /nfs/dbraw/zinc/74/28/38/1100742838.db2.gz KPZWGSWUUJFLBW-UHFFFAOYSA-N 0 0 328.328 2.660 10 5 EFBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2cc(Cl)ccc21 ZINC001636904034 1100744689 /nfs/dbraw/zinc/74/46/89/1100744689.db2.gz RSTRGQOQNZAKBL-OAHLLOKOSA-N 0 0 332.743 2.871 10 5 EFBERN COc1cccc2c1OCCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001636965443 1100747675 /nfs/dbraw/zinc/74/76/75/1100747675.db2.gz LLZLJSHIOLNZMV-GFCCVEGCSA-N 0 0 331.328 2.575 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001637012645 1100750825 /nfs/dbraw/zinc/75/08/25/1100750825.db2.gz IXGDFLOFVNWMCP-UHFFFAOYSA-N 0 0 339.351 2.541 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001637069432 1100755613 /nfs/dbraw/zinc/75/56/13/1100755613.db2.gz WCCXQPHXOSSKPQ-OAHLLOKOSA-N 0 0 343.387 2.954 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NN1CCc2ccccc2C1=O ZINC001637066552 1100755685 /nfs/dbraw/zinc/75/56/85/1100755685.db2.gz GBOFESQFCVVQGO-UHFFFAOYSA-N 0 0 339.351 2.555 10 5 EFBERN COC(=O)c1ccsc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001637068678 1100755862 /nfs/dbraw/zinc/75/58/62/1100755862.db2.gz JHGAUOYJBFSZFP-UHFFFAOYSA-N 0 0 338.316 2.763 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cnn(CC2CCC2)c1 ZINC001637139533 1100760140 /nfs/dbraw/zinc/76/01/40/1100760140.db2.gz ZDHZXXWHAOFQRG-LLVKDONJSA-N 0 0 343.387 2.665 10 5 EFBERN CCOc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3N)ccc2o1 ZINC001637149460 1100760722 /nfs/dbraw/zinc/76/07/22/1100760722.db2.gz YHONTMQIUYDMLT-UHFFFAOYSA-N 0 0 342.311 2.969 10 5 EFBERN CCc1n[nH]c(C(=O)NCCC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001637171854 1100762045 /nfs/dbraw/zinc/76/20/45/1100762045.db2.gz IKKPYJMBFPOVSX-UHFFFAOYSA-N 0 0 330.335 2.826 10 5 EFBERN COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C2 ZINC001637201581 1100763894 /nfs/dbraw/zinc/76/38/94/1100763894.db2.gz XMBGCVQLDBKVQB-ZDUSSCGKSA-N 0 0 341.367 2.929 10 5 EFBERN COC(=O)Nc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC001637200543 1100764490 /nfs/dbraw/zinc/76/44/90/1100764490.db2.gz MBJXSRRYPGKJTO-UHFFFAOYSA-N 0 0 348.290 2.747 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001637214438 1100764933 /nfs/dbraw/zinc/76/49/33/1100764933.db2.gz XVYNLPVVKOQCCV-SGIREYDYSA-N 0 0 336.363 2.808 10 5 EFBERN O=C(NCCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1Cl ZINC001637240144 1100766575 /nfs/dbraw/zinc/76/65/75/1100766575.db2.gz VVQXNLVBGVLXRA-UHFFFAOYSA-N 0 0 334.759 2.713 10 5 EFBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1O ZINC001637270750 1100768532 /nfs/dbraw/zinc/76/85/32/1100768532.db2.gz AUNHUMUWXBOUHB-UHFFFAOYSA-N 0 0 334.303 2.687 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC(=O)OC(C)(C)C ZINC001637295488 1100771594 /nfs/dbraw/zinc/77/15/94/1100771594.db2.gz DAZMRJKMXFHAQQ-UHFFFAOYSA-N 0 0 326.324 2.504 10 5 EFBERN CNc1ncccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001637361761 1100776166 /nfs/dbraw/zinc/77/61/66/1100776166.db2.gz FBHHWGGUGOFGNG-UHFFFAOYSA-N 0 0 334.763 2.657 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(C(F)(F)F)nc1 ZINC001637386767 1100778512 /nfs/dbraw/zinc/77/85/12/1100778512.db2.gz IIBVKSUTUZGBHV-SSDOTTSWSA-N 0 0 328.250 2.828 10 5 EFBERN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)[C@@H](CO)c1ccccc1 ZINC001637388542 1100778801 /nfs/dbraw/zinc/77/88/01/1100778801.db2.gz VNXFOAABRHJRPW-INIZCTEOSA-N 0 0 339.351 2.882 10 5 EFBERN C[C@H](O)[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637433482 1100782175 /nfs/dbraw/zinc/78/21/75/1100782175.db2.gz QEMQGIHIUOEXGI-GXFFZTMASA-N 0 0 326.780 2.553 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(C(C)=O)c1 ZINC001637465383 1100785120 /nfs/dbraw/zinc/78/51/20/1100785120.db2.gz PSFBMXMJXBQSBX-UHFFFAOYSA-N 0 0 328.324 2.736 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)c3ncccc32)c1 ZINC001126549278 1100785218 /nfs/dbraw/zinc/78/52/18/1100785218.db2.gz FDYLOPLCWINOBK-UHFFFAOYSA-N 0 0 344.396 2.808 10 5 EFBERN CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](c1nc[nH]n1)c1ccccc1 ZINC001637575891 1100790835 /nfs/dbraw/zinc/79/08/35/1100790835.db2.gz PPLMBABJEFFLKJ-ZDUSSCGKSA-N 0 0 343.368 2.636 10 5 EFBERN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1nc[nH]n1)c1ccccc1 ZINC001637574022 1100790896 /nfs/dbraw/zinc/79/08/96/1100790896.db2.gz HWAQONIHOGEPRK-HNNXBMFYSA-N 0 0 337.339 2.575 10 5 EFBERN Cc1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)cc([N+](=O)[O-])c1 ZINC001637701029 1100800374 /nfs/dbraw/zinc/80/03/74/1100800374.db2.gz JTBRIOXPRIRDSI-UHFFFAOYSA-N 0 0 340.295 2.761 10 5 EFBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC2(C1)CCCCC2 ZINC001637777884 1100804681 /nfs/dbraw/zinc/80/46/81/1100804681.db2.gz BORXGOZKPMSPJM-UHFFFAOYSA-N 0 0 341.371 2.582 10 5 EFBERN CCc1ccc([C@@H]2CCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001637819920 1100807729 /nfs/dbraw/zinc/80/77/29/1100807729.db2.gz DSVNJUZRGJZYOJ-CQSZACIVSA-N 0 0 340.383 2.764 10 5 EFBERN O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc([N+](=O)[O-])ccc1Cl ZINC001637899470 1100814995 /nfs/dbraw/zinc/81/49/95/1100814995.db2.gz ANYKGNSYSVLXJF-MNOVXSKESA-N 0 0 334.706 2.527 10 5 EFBERN Nc1c(Cl)cccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001637906856 1100815782 /nfs/dbraw/zinc/81/57/82/1100815782.db2.gz OCLGPWKXPBGXLB-UHFFFAOYSA-N 0 0 331.719 2.959 10 5 EFBERN C[C@H](CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)NC(=O)C1CCCC1 ZINC001637925818 1100818019 /nfs/dbraw/zinc/81/80/19/1100818019.db2.gz JWGDDSGSIBTGKU-CHWSQXEVSA-N 0 0 347.415 2.857 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2c(C)ccc3cnccc32)c1[N+](=O)[O-] ZINC001637982923 1100822862 /nfs/dbraw/zinc/82/28/62/1100822862.db2.gz AQBXJXLJSVWCLN-UHFFFAOYSA-N 0 0 325.328 2.989 10 5 EFBERN CCn1cccc1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001638008544 1100826062 /nfs/dbraw/zinc/82/60/62/1100826062.db2.gz OCYZYVMZTLISJD-UHFFFAOYSA-N 0 0 341.371 2.655 10 5 EFBERN O=C(Nc1nnc(C2CCC2)[nH]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001638081320 1100832085 /nfs/dbraw/zinc/83/20/85/1100832085.db2.gz MVHFUTSICWEUMY-QWHCGFSZSA-N 0 0 327.344 2.723 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001638149061 1100837587 /nfs/dbraw/zinc/83/75/87/1100837587.db2.gz YBSVWRUFBPARBI-FKGLVLAHSA-N 0 0 349.387 2.638 10 5 EFBERN C[C@@H](NC(=O)NCc1ccc(CCO)cc1)c1ccccc1[N+](=O)[O-] ZINC001638148380 1100837661 /nfs/dbraw/zinc/83/76/61/1100837661.db2.gz CPACFUXQOTWRAM-CYBMUJFWSA-N 0 0 343.383 2.690 10 5 EFBERN CC(C)(C)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC001638159140 1100838030 /nfs/dbraw/zinc/83/80/30/1100838030.db2.gz SWOIXJAXSNEGFN-UHFFFAOYSA-N 0 0 343.383 2.965 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)NCc2nocc2C)cc1SC ZINC001638158903 1100838317 /nfs/dbraw/zinc/83/83/17/1100838317.db2.gz XFRKFKJMXDVIGE-UHFFFAOYSA-N 0 0 337.357 2.552 10 5 EFBERN Cc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001638191719 1100840401 /nfs/dbraw/zinc/84/04/01/1100840401.db2.gz LHDMQBPJXLBDRJ-UHFFFAOYSA-N 0 0 329.312 2.605 10 5 EFBERN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001638206614 1100841263 /nfs/dbraw/zinc/84/12/63/1100841263.db2.gz CDRDAZQDNFMJMJ-HNNXBMFYSA-N 0 0 328.372 2.841 10 5 EFBERN O=C(Nc1ncc(CCO)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001638199814 1100841963 /nfs/dbraw/zinc/84/19/63/1100841963.db2.gz QYGWOFCJLOCAOX-UHFFFAOYSA-N 0 0 333.325 2.585 10 5 EFBERN CNc1c(C(=O)NC[Si](C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001638284796 1100846656 /nfs/dbraw/zinc/84/66/56/1100846656.db2.gz OTXLMHPSULUOSC-UHFFFAOYSA-N 0 0 343.459 2.521 10 5 EFBERN C/C=C/C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(=O)OCC ZINC001638285527 1100847306 /nfs/dbraw/zinc/84/73/06/1100847306.db2.gz WALIXIQJDHTOCZ-LYKUJDHUSA-N 0 0 345.355 2.704 10 5 EFBERN O=C(C[C@@H]1C[C@H]1C1CC1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001638296308 1100848875 /nfs/dbraw/zinc/84/88/75/1100848875.db2.gz NXKGBRZEAYQXJH-AAEUAGOBSA-N 0 0 327.344 2.755 10 5 EFBERN C[C@@H](NC(=O)NCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC001638359416 1100851042 /nfs/dbraw/zinc/85/10/42/1100851042.db2.gz CNBSJACJAFOENL-INWMFGNUSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001638380012 1100853008 /nfs/dbraw/zinc/85/30/08/1100853008.db2.gz POULCVPKXURTIP-NSHDSACASA-N 0 0 330.344 2.564 10 5 EFBERN Nc1ccc(NC(=O)c2ncccc2Br)cc1[N+](=O)[O-] ZINC001638381071 1100853397 /nfs/dbraw/zinc/85/33/97/1100853397.db2.gz BSRHKPGIEOBMFX-UHFFFAOYSA-N 0 0 337.133 2.587 10 5 EFBERN Cc1cc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])cc(=O)[nH]1 ZINC001638387745 1100854049 /nfs/dbraw/zinc/85/40/49/1100854049.db2.gz UWVONFCIINWYEA-UHFFFAOYSA-N 0 0 335.747 2.896 10 5 EFBERN Nc1ccc(NC(=O)c2ccn(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC001638381312 1100854062 /nfs/dbraw/zinc/85/40/62/1100854062.db2.gz ILUCMNPYZXTEAA-UHFFFAOYSA-N 0 0 337.339 2.674 10 5 EFBERN Nc1ccc(NC(=O)c2ccn(CCC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001638386424 1100854515 /nfs/dbraw/zinc/85/45/15/1100854515.db2.gz WDIIXCUCMYCSOJ-UHFFFAOYSA-N 0 0 343.265 2.578 10 5 EFBERN CC(C)(C)Oc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001638399278 1100856359 /nfs/dbraw/zinc/85/63/59/1100856359.db2.gz RASIFFBQOJIWTG-UHFFFAOYSA-N 0 0 345.355 2.803 10 5 EFBERN CC(=O)Nc1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])nc1 ZINC001638415835 1100857214 /nfs/dbraw/zinc/85/72/14/1100857214.db2.gz RMAIQTNNQZIVMQ-UHFFFAOYSA-N 0 0 332.291 2.648 10 5 EFBERN COc1ccc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1O ZINC001638443844 1100860198 /nfs/dbraw/zinc/86/01/98/1100860198.db2.gz GCZOZOUBJXXZDV-UHFFFAOYSA-N 0 0 348.330 2.697 10 5 EFBERN Cc1nc(C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)[nH]c1C ZINC001638493037 1100863098 /nfs/dbraw/zinc/86/30/98/1100863098.db2.gz IWNAEZHDXWIPLT-UHFFFAOYSA-N 0 0 343.387 2.658 10 5 EFBERN COc1ccc2[nH]c(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001638478564 1100863601 /nfs/dbraw/zinc/86/36/01/1100863601.db2.gz RXWBIRMEJHCTMJ-INIZCTEOSA-N 0 0 341.323 2.757 10 5 EFBERN Nc1nccc(C(=O)Nc2nc3ccccc3n2C2CC2)c1[N+](=O)[O-] ZINC001638496290 1100864440 /nfs/dbraw/zinc/86/44/40/1100864440.db2.gz XOLAYWQMXDPXMT-UHFFFAOYSA-N 0 0 338.327 2.509 10 5 EFBERN Cc1cccc(C(=O)Nc2ccc(COCCO)cc2)c1[N+](=O)[O-] ZINC001638548009 1100868024 /nfs/dbraw/zinc/86/80/24/1100868024.db2.gz WCGNHSJWTKWNIU-UHFFFAOYSA-N 0 0 330.340 2.664 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001638559284 1100868708 /nfs/dbraw/zinc/86/87/08/1100868708.db2.gz LIGYBISWXVIZAI-SNVBAGLBSA-N 0 0 341.371 2.767 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001638557549 1100869458 /nfs/dbraw/zinc/86/94/58/1100869458.db2.gz BWIVRGSWHVITKL-VIFPVBQESA-N 0 0 339.355 2.974 10 5 EFBERN COC(=O)c1cc(F)cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC001638617039 1100872858 /nfs/dbraw/zinc/87/28/58/1100872858.db2.gz DGFMHPQFUUOFQD-UHFFFAOYSA-N 0 0 346.314 2.759 10 5 EFBERN CCCc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc(=O)[nH]1 ZINC001638614447 1100873427 /nfs/dbraw/zinc/87/34/27/1100873427.db2.gz ZOKNBRZNBWTQNP-UHFFFAOYSA-N 0 0 329.356 2.886 10 5 EFBERN CC(C)CCSCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001638638667 1100875131 /nfs/dbraw/zinc/87/51/31/1100875131.db2.gz VGISCGKYTBXFIS-UHFFFAOYSA-N 0 0 338.429 2.964 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC001638636363 1100875680 /nfs/dbraw/zinc/87/56/80/1100875680.db2.gz NHLYQCLHWAHULW-SGIREYDYSA-N 0 0 343.770 2.899 10 5 EFBERN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001638651406 1100876711 /nfs/dbraw/zinc/87/67/11/1100876711.db2.gz LTUOSPSGLXRVEC-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN CCc1csc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n1 ZINC001638681654 1100879179 /nfs/dbraw/zinc/87/91/79/1100879179.db2.gz FKSANSITCIYWJC-MRVPVSSYSA-N 0 0 337.405 2.951 10 5 EFBERN C[C@@H](C(=O)N1CCC[C@H](c2ncon2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001638827002 1100887868 /nfs/dbraw/zinc/88/78/68/1100887868.db2.gz REBMONVIMNXASQ-MNOVXSKESA-N 0 0 348.334 2.627 10 5 EFBERN C[C@H](C(=O)N1CCC[C@@H](c2ncon2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001638827005 1100887910 /nfs/dbraw/zinc/88/79/10/1100887910.db2.gz REBMONVIMNXASQ-WDEREUQCSA-N 0 0 348.334 2.627 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ncsc2C1 ZINC001638827981 1100889257 /nfs/dbraw/zinc/88/92/57/1100889257.db2.gz UKUAZGZHZWQIDZ-UHFFFAOYSA-N 0 0 337.788 2.832 10 5 EFBERN Cc1cc(C(=O)N[C@H](CCO)c2ccccc2F)ccc1[N+](=O)[O-] ZINC001638879304 1100893308 /nfs/dbraw/zinc/89/33/08/1100893308.db2.gz SOYMXJGLTRZQCA-OAHLLOKOSA-N 0 0 332.331 2.896 10 5 EFBERN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C(N)=O)c1 ZINC001638872981 1100893433 /nfs/dbraw/zinc/89/34/33/1100893433.db2.gz KFACDDPMIHEOTC-UHFFFAOYSA-N 0 0 347.758 2.837 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CCO)c1ccccc1F ZINC001638882531 1100894845 /nfs/dbraw/zinc/89/48/45/1100894845.db2.gz JIRWXVWPCPAGJO-INIZCTEOSA-N 0 0 332.331 2.516 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2ccccc2O1 ZINC001638895834 1100896509 /nfs/dbraw/zinc/89/65/09/1100896509.db2.gz GTBAHYGBLSMSJX-INIZCTEOSA-N 0 0 327.340 2.969 10 5 EFBERN C[S@@](=N)(=O)c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC001638931770 1100899320 /nfs/dbraw/zinc/89/93/20/1100899320.db2.gz LYHWQOPTQXOKEA-XMMPIXPASA-N 0 0 348.384 2.681 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)nc1 ZINC001638946670 1100900626 /nfs/dbraw/zinc/90/06/26/1100900626.db2.gz FXMFMFFTPFADPF-UHFFFAOYSA-N 0 0 338.726 2.603 10 5 EFBERN O=C(NOCCC(F)(F)F)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001639019089 1100904994 /nfs/dbraw/zinc/90/49/94/1100904994.db2.gz HKMWDGQXEDLQJH-UHFFFAOYSA-N 0 0 344.249 2.599 10 5 EFBERN CN(Cc1noc(C2CC2)n1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001639083751 1100911238 /nfs/dbraw/zinc/91/12/38/1100911238.db2.gz RLCWUOPQJLJTQJ-KBPBESRZSA-N 0 0 342.355 2.617 10 5 EFBERN Cc1csc(C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)n1 ZINC001639184159 1100922991 /nfs/dbraw/zinc/92/29/91/1100922991.db2.gz SVNZPYZSMUWFJA-NSHDSACASA-N 0 0 346.412 2.647 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ncccn2)C1 ZINC001639259917 1100931426 /nfs/dbraw/zinc/93/14/26/1100931426.db2.gz SFFCWQPBXCUUDK-CYBMUJFWSA-N 0 0 326.356 2.631 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)c1ccccn1 ZINC001639313144 1100937418 /nfs/dbraw/zinc/93/74/18/1100937418.db2.gz VSTVADPPKXGQMB-UHFFFAOYSA-N 0 0 327.384 2.969 10 5 EFBERN CCC1CCC(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC001639322429 1100938560 /nfs/dbraw/zinc/93/85/60/1100938560.db2.gz ALJRFVQRZZIIMD-UHFFFAOYSA-N 0 0 349.435 2.850 10 5 EFBERN CCC(CC)(CCO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001639323030 1100938802 /nfs/dbraw/zinc/93/88/02/1100938802.db2.gz PELXANXAEDEWRK-UHFFFAOYSA-N 0 0 328.796 2.848 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1OCCc2ccccc21 ZINC001639322516 1100938931 /nfs/dbraw/zinc/93/89/31/1100938931.db2.gz OUCUGUUVLDKZRV-KRWDZBQOSA-N 0 0 341.367 2.611 10 5 EFBERN NC(=O)c1nccnc1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001639339953 1100939431 /nfs/dbraw/zinc/93/94/31/1100939431.db2.gz ZETGGAQHHMUXEP-UHFFFAOYSA-N 0 0 336.307 2.943 10 5 EFBERN Cc1cc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC001639386197 1100943555 /nfs/dbraw/zinc/94/35/55/1100943555.db2.gz ZEMRKQZKUGTSEF-LBPRGKRZSA-N 0 0 349.412 2.947 10 5 EFBERN O=C(N[C@@H](Cc1ccccc1)c1ncon1)c1csc([N+](=O)[O-])c1 ZINC001639394304 1100944051 /nfs/dbraw/zinc/94/40/51/1100944051.db2.gz RQNTYZDYWUOZOV-LBPRGKRZSA-N 0 0 344.352 2.753 10 5 EFBERN O=CNc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC001639407742 1100945257 /nfs/dbraw/zinc/94/52/57/1100945257.db2.gz CYSJEIPWPMZSEL-UHFFFAOYSA-N 0 0 338.323 2.757 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)[nH]n1)CC2 ZINC001639448110 1100950714 /nfs/dbraw/zinc/95/07/14/1100950714.db2.gz VVYRTDPUXVWAHS-UHFFFAOYSA-N 0 0 349.350 2.891 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3ccc(C)nc3)c2c1 ZINC001639478743 1100954091 /nfs/dbraw/zinc/95/40/91/1100954091.db2.gz WKTNTHVPHSWBGP-UHFFFAOYSA-N 0 0 338.367 2.932 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OCc1ccccc1 ZINC001639481432 1100955176 /nfs/dbraw/zinc/95/51/76/1100955176.db2.gz JHYYAZFOAUGNQV-NSHDSACASA-N 0 0 346.314 2.596 10 5 EFBERN Cc1cnc(N2CCC[C@@H](NC(=O)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001639527547 1100958126 /nfs/dbraw/zinc/95/81/26/1100958126.db2.gz VWYKQEKGTGOODB-OAHLLOKOSA-N 0 0 340.383 2.697 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC001639536330 1100959312 /nfs/dbraw/zinc/95/93/12/1100959312.db2.gz PLTIOQKVRSTPAI-UHFFFAOYSA-N 0 0 328.328 2.533 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1Nc1ccn(CC(F)F)n1 ZINC001639574313 1100961706 /nfs/dbraw/zinc/96/17/06/1100961706.db2.gz HMVZNSINKFZQKH-UHFFFAOYSA-N 0 0 337.261 2.909 10 5 EFBERN NC(=O)c1ccc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])o1 ZINC001639570204 1100961959 /nfs/dbraw/zinc/96/19/59/1100961959.db2.gz LSTSZYGRYSQNEQ-UHFFFAOYSA-N 0 0 346.730 2.522 10 5 EFBERN C[C@@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)c1ccccc1[N+](=O)[O-] ZINC001639633385 1100968183 /nfs/dbraw/zinc/96/81/83/1100968183.db2.gz DGXRBTAMHVKSPU-RYUDHWBXSA-N 0 0 342.399 2.976 10 5 EFBERN COCCCOC1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001639651343 1100970426 /nfs/dbraw/zinc/97/04/26/1100970426.db2.gz WXSBZDZADNAMMY-UHFFFAOYSA-N 0 0 334.294 2.855 10 5 EFBERN CC(C)Oc1cc(C(=O)NCC2(C3(O)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001639663082 1100971307 /nfs/dbraw/zinc/97/13/07/1100971307.db2.gz FQKGZUPPYADODW-UHFFFAOYSA-N 0 0 348.399 2.807 10 5 EFBERN Cc1cnccc1C=CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001639663607 1100971487 /nfs/dbraw/zinc/97/14/87/1100971487.db2.gz QNLRSPAWTILRLH-GORDUTHDSA-N 0 0 337.339 2.504 10 5 EFBERN Cc1cnccc1C=CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001639663606 1100971674 /nfs/dbraw/zinc/97/16/74/1100971674.db2.gz QNLRSPAWTILRLH-DJWKRKHSSA-N 0 0 337.339 2.504 10 5 EFBERN C[C@@H]1C[C@@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCO1 ZINC001639706999 1100976442 /nfs/dbraw/zinc/97/64/42/1100976442.db2.gz HVCLUGNMYYXMRI-MNOVXSKESA-N 0 0 346.343 2.700 10 5 EFBERN CC(C)n1cnc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001639727127 1100978537 /nfs/dbraw/zinc/97/85/37/1100978537.db2.gz KECGHXHBJPSGAJ-UHFFFAOYSA-N 0 0 327.703 2.812 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1noc(C(F)(F)F)n1 ZINC001639739816 1100979721 /nfs/dbraw/zinc/97/97/21/1100979721.db2.gz NVUUVRYAKXXEEU-UHFFFAOYSA-N 0 0 344.249 2.543 10 5 EFBERN C[C@](O)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1Cl ZINC001639744877 1100980082 /nfs/dbraw/zinc/98/00/82/1100980082.db2.gz DLUZZWPXXPSNQL-INIZCTEOSA-N 0 0 349.774 2.667 10 5 EFBERN CC(C)OC(=O)CCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001639755011 1100981376 /nfs/dbraw/zinc/98/13/76/1100981376.db2.gz PESOVQPGOAUVRC-UHFFFAOYSA-N 0 0 335.335 2.848 10 5 EFBERN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001639811929 1100985991 /nfs/dbraw/zinc/98/59/91/1100985991.db2.gz VFQULSHTYNRFKC-YPMHNXCESA-N 0 0 332.404 2.860 10 5 EFBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC001639915646 1100995169 /nfs/dbraw/zinc/99/51/69/1100995169.db2.gz CUMBQXMRIFQELD-LBPRGKRZSA-N 0 0 331.347 2.893 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(O)cn1 ZINC001639954098 1100997897 /nfs/dbraw/zinc/99/78/97/1100997897.db2.gz OFNXZNSLYSCCPE-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H](O)Cc2cccc(F)c2)s1 ZINC001639968125 1100999012 /nfs/dbraw/zinc/99/90/12/1100999012.db2.gz LKPMQCUROMOHST-NSHDSACASA-N 0 0 348.359 2.754 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](CCCO)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001639997094 1101000944 /nfs/dbraw/zinc/00/09/44/1101000944.db2.gz AFEBSEUVDVWGAX-AWEZNQCLSA-N 0 0 343.383 2.980 10 5 EFBERN Cc1cc(-n2cccn2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001640002570 1101001146 /nfs/dbraw/zinc/00/11/46/1101001146.db2.gz QNTFZFXCKIWWKV-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN O=C(NN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001640002495 1101001222 /nfs/dbraw/zinc/00/12/22/1101001222.db2.gz QLAZUYJWTLMVNU-UHFFFAOYSA-N 0 0 331.759 2.951 10 5 EFBERN Cc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c(N)c1[N+](=O)[O-] ZINC001639997540 1101001825 /nfs/dbraw/zinc/00/18/25/1101001825.db2.gz SEIOVKJMLHFPMY-CQSZACIVSA-N 0 0 340.339 2.942 10 5 EFBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(OC)c1 ZINC001640010725 1101003479 /nfs/dbraw/zinc/00/34/79/1101003479.db2.gz BPNNZJZJLUZMBC-INIZCTEOSA-N 0 0 348.330 2.860 10 5 EFBERN O=C(N[C@@H]1CO[C@H]1c1ccccc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001640024949 1101005103 /nfs/dbraw/zinc/00/51/03/1101005103.db2.gz CYGJQRSXHAQMML-MLHJIOFPSA-N 0 0 338.363 2.955 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@H](c3cccnc3)C2)c(N)c([N+](=O)[O-])c1 ZINC001640048971 1101009156 /nfs/dbraw/zinc/00/91/56/1101009156.db2.gz IYEHVEIGGQQUSA-AWEZNQCLSA-N 0 0 340.383 2.900 10 5 EFBERN COC(=O)c1ccc2[nH]c(CNc3ccccc3[N+](=O)[O-])nc2c1 ZINC001640052098 1101009688 /nfs/dbraw/zinc/00/96/88/1101009688.db2.gz SPRHBUGFTMPWNX-UHFFFAOYSA-N 0 0 326.312 2.870 10 5 EFBERN CN(CCc1nc2ccccc2[nH]1)c1nc2sccn2c1[N+](=O)[O-] ZINC001640072072 1101010780 /nfs/dbraw/zinc/01/07/80/1101010780.db2.gz ZLOZQUDODWFKRO-UHFFFAOYSA-N 0 0 342.384 2.859 10 5 EFBERN CN(Cc1ccc2c(c1)OC(F)(F)O2)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001640087429 1101012511 /nfs/dbraw/zinc/01/25/11/1101012511.db2.gz YLHSRJBZNXDGAO-UHFFFAOYSA-N 0 0 339.254 2.653 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](Nc2ncccn2)C1 ZINC001640080176 1101013067 /nfs/dbraw/zinc/01/30/67/1101013067.db2.gz ZMPCTFPUGLTQHL-CYBMUJFWSA-N 0 0 336.355 2.624 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)c1 ZINC001640135539 1101016640 /nfs/dbraw/zinc/01/66/40/1101016640.db2.gz UZYLYSTVRKUAOX-UHFFFAOYSA-N 0 0 339.307 2.697 10 5 EFBERN Cc1ccc(NC[C@H]2CCCNC2=O)c([N+](=O)[O-])c1Br ZINC000840350774 1101018885 /nfs/dbraw/zinc/01/88/85/1101018885.db2.gz KMSLWEFPOUWCDE-SECBINFHSA-N 0 0 342.193 2.604 10 5 EFBERN Cc1cc(N[C@H](CO)CCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640157687 1101019315 /nfs/dbraw/zinc/01/93/15/1101019315.db2.gz MUJAURFWLWLMLF-HNNXBMFYSA-N 0 0 344.415 2.991 10 5 EFBERN Cc1ccc(N2CCO[C@@H](CF)C2)c([N+](=O)[O-])c1Br ZINC000840355730 1101022750 /nfs/dbraw/zinc/02/27/50/1101022750.db2.gz NSEMCDVVZOLATR-VIFPVBQESA-N 0 0 333.157 2.840 10 5 EFBERN COc1ccc(C(=O)N2NC(=O)CC23CCCCCC3)cc1[N+](=O)[O-] ZINC001640227260 1101025338 /nfs/dbraw/zinc/02/53/38/1101025338.db2.gz QYMLMWFODQPGTI-UHFFFAOYSA-N 0 0 347.371 2.574 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccnn1C1CCOCC1 ZINC001640237723 1101027486 /nfs/dbraw/zinc/02/74/86/1101027486.db2.gz ILMBYCRYHOOYQU-UHFFFAOYSA-N 0 0 348.334 2.843 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCC[C@H](O)C(F)F)c2c1 ZINC001640258350 1101029809 /nfs/dbraw/zinc/02/98/09/1101029809.db2.gz DBVOYYMWZAYYQO-VIFPVBQESA-N 0 0 332.694 2.619 10 5 EFBERN CSCc1ccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001640298933 1101032488 /nfs/dbraw/zinc/03/24/88/1101032488.db2.gz NNLLNKAFSXINPH-INIZCTEOSA-N 0 0 346.408 2.808 10 5 EFBERN CSCc1ccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001640298934 1101033723 /nfs/dbraw/zinc/03/37/23/1101033723.db2.gz NNLLNKAFSXINPH-MRXNPFEDSA-N 0 0 346.408 2.808 10 5 EFBERN CC(C)c1nc([C@H](CO)NC(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC001640344814 1101037078 /nfs/dbraw/zinc/03/70/78/1101037078.db2.gz RZLLELFKNUAXMV-NSHDSACASA-N 0 0 335.385 2.638 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCS2(=O)=O)c2ncccc12 ZINC001640342867 1101037433 /nfs/dbraw/zinc/03/74/33/1101037433.db2.gz JBPVVOKXXAYKHW-NSHDSACASA-N 0 0 335.385 2.522 10 5 EFBERN COC(=O)c1ccc(OC)c2c1CCN(c1ccccc1[N+](=O)[O-])C2 ZINC001640354736 1101038557 /nfs/dbraw/zinc/03/85/57/1101038557.db2.gz FLKRCDYQALBLCP-UHFFFAOYSA-N 0 0 342.351 2.953 10 5 EFBERN CC(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC001640373137 1101040053 /nfs/dbraw/zinc/04/00/53/1101040053.db2.gz PSSBIAHIWCBTGO-UHFFFAOYSA-N 0 0 328.328 2.663 10 5 EFBERN COC(=O)c1cnc(NCc2cccc3ncccc23)c([N+](=O)[O-])c1 ZINC001640372842 1101040446 /nfs/dbraw/zinc/04/04/46/1101040446.db2.gz XFQIUGSXQMBVIJ-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN Cc1cc(C(=O)N2CC[C@@H](Cc3nccs3)C2)c(N)c([N+](=O)[O-])c1 ZINC001640391903 1101042018 /nfs/dbraw/zinc/04/20/18/1101042018.db2.gz BGHWAHDDHCVCFF-NSHDSACASA-N 0 0 346.412 2.647 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cc(N(C)C)ccn1 ZINC001640416123 1101045057 /nfs/dbraw/zinc/04/50/57/1101045057.db2.gz ZCQHFXOUIPUYON-UHFFFAOYSA-N 0 0 344.371 2.763 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc(F)c1Cl ZINC001640419167 1101045137 /nfs/dbraw/zinc/04/51/37/1101045137.db2.gz VXTSPYUIJQHQAR-UHFFFAOYSA-N 0 0 341.682 2.754 10 5 EFBERN COC(=O)CC(C)(C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC001640414871 1101045287 /nfs/dbraw/zinc/04/52/87/1101045287.db2.gz AFSBFWURBMRNAV-UHFFFAOYSA-N 0 0 346.181 2.754 10 5 EFBERN CCc1ccc(C(=O)N2NC(=O)C[C@@]23CCCC[C@H]3C)cc1[N+](=O)[O-] ZINC001640448715 1101048087 /nfs/dbraw/zinc/04/80/87/1101048087.db2.gz UVGMXPCEFMUCPG-KZULUSFZSA-N 0 0 345.399 2.983 10 5 EFBERN COC(=O)c1ccccc1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001640458669 1101049240 /nfs/dbraw/zinc/04/92/40/1101049240.db2.gz FYTZKXUKOVPLRC-UHFFFAOYSA-N 0 0 345.311 2.944 10 5 EFBERN Cc1cc2nc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])sc2cc1F ZINC001640459707 1101049483 /nfs/dbraw/zinc/04/94/83/1101049483.db2.gz ZIFPOLMHIPAWNB-UHFFFAOYSA-N 0 0 347.331 2.882 10 5 EFBERN C[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc(F)c1 ZINC001640466982 1101050036 /nfs/dbraw/zinc/05/00/36/1101050036.db2.gz MBAICFJUWWDVJE-HSZRJFAPSA-N 0 0 337.332 2.613 10 5 EFBERN CCOC(=O)c1nc[nH]c1CNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC001640462451 1101050180 /nfs/dbraw/zinc/05/01/80/1101050180.db2.gz VMADSICDMUFOFX-UHFFFAOYSA-N 0 0 346.343 2.699 10 5 EFBERN C[S@@](=O)(=NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1F ZINC001640467480 1101050512 /nfs/dbraw/zinc/05/05/12/1101050512.db2.gz PJQIVDRSOHXTQD-QHCPKHFHSA-N 0 0 337.332 2.613 10 5 EFBERN CC(C)(C)OC(=O)NOCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC001640472757 1101051280 /nfs/dbraw/zinc/05/12/80/1101051280.db2.gz GMHNKRVHJCPQGY-UHFFFAOYSA-N 0 0 346.771 2.902 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@]3(C)CCCCO3)c2c1 ZINC001640485459 1101052309 /nfs/dbraw/zinc/05/23/09/1101052309.db2.gz VCRLLQNCARVJIW-KRWDZBQOSA-N 0 0 331.372 2.945 10 5 EFBERN Cn1ccnc1[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(F)c(F)c1 ZINC001640510995 1101054995 /nfs/dbraw/zinc/05/49/95/1101054995.db2.gz YWYXNVNPJFWBNE-LBPRGKRZSA-N 0 0 348.313 2.542 10 5 EFBERN COc1ccc([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])c(OC)c1 ZINC001640615505 1101064789 /nfs/dbraw/zinc/06/47/89/1101064789.db2.gz FWKRTVGVVXNKDS-SNVBAGLBSA-N 0 0 345.355 2.685 10 5 EFBERN COC(=O)Cc1sccc1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001640646703 1101068661 /nfs/dbraw/zinc/06/86/61/1101068661.db2.gz GLOXOYOFCHEMGX-UHFFFAOYSA-N 0 0 334.353 2.933 10 5 EFBERN Nc1c(C(=O)NCCC2(CO)CCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001640660172 1101069258 /nfs/dbraw/zinc/06/92/58/1101069258.db2.gz MJFXGODANHBOBW-UHFFFAOYSA-N 0 0 343.383 2.613 10 5 EFBERN Cc1ccc(-c2nc(SCc3cn(C)nc3[N+](=O)[O-])n[nH]2)cc1 ZINC001640661685 1101069301 /nfs/dbraw/zinc/06/93/01/1101069301.db2.gz LBTSTBOQYWTKDI-UHFFFAOYSA-N 0 0 330.373 2.714 10 5 EFBERN CC(C)(NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001640668678 1101070109 /nfs/dbraw/zinc/07/01/09/1101070109.db2.gz LRVSPNVDGIDRMI-UHFFFAOYSA-N 0 0 326.715 2.776 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)n[nH]c1C ZINC001640685189 1101071721 /nfs/dbraw/zinc/07/17/21/1101071721.db2.gz POAARPQZALFPSA-UHFFFAOYSA-N 0 0 334.401 2.629 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCSc1nncn1-c1ccccc1F ZINC001640709420 1101073189 /nfs/dbraw/zinc/07/31/89/1101073189.db2.gz DPYBMEGGBWDZLZ-UHFFFAOYSA-N 0 0 348.363 2.612 10 5 EFBERN CCCNC(=O)CCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000840438151 1101073947 /nfs/dbraw/zinc/07/39/47/1101073947.db2.gz WKQQIFKZUXALIX-SEYXRHQNSA-N 0 0 334.372 2.848 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1F ZINC001640725761 1101074082 /nfs/dbraw/zinc/07/40/82/1101074082.db2.gz QIWCNINMNLVEBA-BJOHPYRUSA-N 0 0 336.294 2.725 10 5 EFBERN CC(=O)c1ccccc1OCCn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001640949986 1101090415 /nfs/dbraw/zinc/09/04/15/1101090415.db2.gz MISOTKOQZPLTPY-UHFFFAOYSA-N 0 0 340.339 2.930 10 5 EFBERN CCc1ccc(NC(=O)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC001640950215 1101091178 /nfs/dbraw/zinc/09/11/78/1101091178.db2.gz WSPRNPXCQHECJL-UHFFFAOYSA-N 0 0 339.355 2.849 10 5 EFBERN Nc1c(C(=O)NCC(F)(F)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001640993979 1101094115 /nfs/dbraw/zinc/09/41/15/1101094115.db2.gz HMCGGSWMRMAHKV-UHFFFAOYSA-N 0 0 339.273 2.838 10 5 EFBERN CCO[C@@H](C)c1nccn1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001641012716 1101096389 /nfs/dbraw/zinc/09/63/89/1101096389.db2.gz QWXJCRGTADFUTR-NSHDSACASA-N 0 0 343.343 2.987 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1cc(F)cc(F)c1 ZINC001641076699 1101100443 /nfs/dbraw/zinc/10/04/43/1101100443.db2.gz XOOUNOMIAWSBCV-UHFFFAOYSA-N 0 0 333.250 2.738 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn2nccc2n1 ZINC001641089440 1101101379 /nfs/dbraw/zinc/10/13/79/1101101379.db2.gz MAGOOAUIOJEISQ-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN CC[C@]1(Cc2ccccc2)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001641119860 1101104920 /nfs/dbraw/zinc/10/49/20/1101104920.db2.gz GLPOANDIKKNINL-QGZVFWFLSA-N 0 0 328.372 2.945 10 5 EFBERN O=C(Nc1cccc2n[nH]nc21)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001641119777 1101105081 /nfs/dbraw/zinc/10/50/81/1101105081.db2.gz XLVQTPBXKGGZLZ-UHFFFAOYSA-N 0 0 349.253 2.720 10 5 EFBERN CN(C)c1ccc2cc(NC(=O)c3c([N+](=O)[O-])cnn3C)ccc2c1 ZINC001641145381 1101107715 /nfs/dbraw/zinc/10/77/15/1101107715.db2.gz PXRDJGGDSICXSB-UHFFFAOYSA-N 0 0 339.355 2.800 10 5 EFBERN O=c1c(F)cc([N+](=O)[O-])cn1CCc1ccccc1Br ZINC001641226077 1101116033 /nfs/dbraw/zinc/11/60/33/1101116033.db2.gz KWQDQKOYRXCUHM-UHFFFAOYSA-N 0 0 341.136 2.901 10 5 EFBERN CCOc1cc(COc2ccc(F)cc2C(N)=O)ccc1[N+](=O)[O-] ZINC001641275512 1101121318 /nfs/dbraw/zinc/12/13/18/1101121318.db2.gz BNVCMPUAIKBHLG-UHFFFAOYSA-N 0 0 334.303 2.811 10 5 EFBERN Cc1cc2nccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3C)n2n1 ZINC001641324457 1101126381 /nfs/dbraw/zinc/12/63/81/1101126381.db2.gz QGNMHQVANVSXLM-UHFFFAOYSA-N 0 0 329.291 2.646 10 5 EFBERN COc1ccc(C(=O)N2CC(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001641355476 1101128577 /nfs/dbraw/zinc/12/85/77/1101128577.db2.gz WVOKVASRXRLVJH-UHFFFAOYSA-N 0 0 330.315 2.982 10 5 EFBERN Cc1nc(Cl)nn1Cc1cc([N+](=O)[O-])ccc1Br ZINC001641370776 1101129383 /nfs/dbraw/zinc/12/93/83/1101129383.db2.gz BRGZOOQKDQHUFB-UHFFFAOYSA-N 0 0 331.557 2.959 10 5 EFBERN Nc1ncc(C(=O)NCc2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC001641414446 1101133922 /nfs/dbraw/zinc/13/39/22/1101133922.db2.gz PUQUGNNSVRYCHQ-UHFFFAOYSA-N 0 0 328.353 2.717 10 5 EFBERN COc1cccc(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)c1[N+](=O)[O-] ZINC001641423019 1101134253 /nfs/dbraw/zinc/13/42/53/1101134253.db2.gz VOBJKJIKHBQLBX-AWEZNQCLSA-N 0 0 346.343 2.751 10 5 EFBERN Cn1cc(C(=O)COc2cc(Cl)c([N+](=O)[O-])cc2Cl)cn1 ZINC001641437445 1101136547 /nfs/dbraw/zinc/13/65/47/1101136547.db2.gz GCQGUKANHSRZHX-UHFFFAOYSA-N 0 0 330.127 2.897 10 5 EFBERN O=C(NCc1nc(O)cc(=O)[nH]1)c1cc2ccccc2c2cccnc12 ZINC001641493768 1101141803 /nfs/dbraw/zinc/14/18/03/1101141803.db2.gz XYTAIKACUFUZGJ-UHFFFAOYSA-N 0 0 346.346 2.519 10 5 EFBERN CN(Cc1c(F)cccc1F)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641603785 1101149876 /nfs/dbraw/zinc/14/98/76/1101149876.db2.gz MCEBDQQILVMNSP-OAHLLOKOSA-N 0 0 336.294 2.565 10 5 EFBERN CCn1ncc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c1C ZINC001641693961 1101157566 /nfs/dbraw/zinc/15/75/66/1101157566.db2.gz VNLMIBLLWLPMFT-UHFFFAOYSA-N 0 0 325.328 2.920 10 5 EFBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ncccc1F ZINC001641702875 1101158082 /nfs/dbraw/zinc/15/80/82/1101158082.db2.gz CNRQZFCRSWEHGP-UHFFFAOYSA-N 0 0 327.275 2.771 10 5 EFBERN O=C(CCCCc1c[nH]nn1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001641841069 1101169297 /nfs/dbraw/zinc/16/92/97/1101169297.db2.gz OXEHDJIYLXZWEL-UHFFFAOYSA-N 0 0 343.387 2.795 10 5 EFBERN CC1(C)OCC[C@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641962637 1101179444 /nfs/dbraw/zinc/17/94/44/1101179444.db2.gz WVYDTLGAEMRNEU-NSHDSACASA-N 0 0 326.780 2.722 10 5 EFBERN CC1(C)OCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641962635 1101179983 /nfs/dbraw/zinc/17/99/83/1101179983.db2.gz WVYDTLGAEMRNEU-LLVKDONJSA-N 0 0 326.780 2.722 10 5 EFBERN CCc1n[nH]cc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001642001095 1101182437 /nfs/dbraw/zinc/18/24/37/1101182437.db2.gz BALUJDNVECJREG-UHFFFAOYSA-N 0 0 326.715 2.603 10 5 EFBERN O=[N+]([O-])c1cccc2c(NC[C@@H](CO)Cc3ccco3)nccc21 ZINC001642033164 1101184188 /nfs/dbraw/zinc/18/41/88/1101184188.db2.gz VBKMLIMPZNVBHK-LBPRGKRZSA-N 0 0 327.340 2.999 10 5 EFBERN C=CC(=O)Nc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001642045290 1101184909 /nfs/dbraw/zinc/18/49/09/1101184909.db2.gz NMVXBLVHCVQIEB-UHFFFAOYSA-N 0 0 326.312 2.554 10 5 EFBERN CCOCCOC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001642085493 1101188351 /nfs/dbraw/zinc/18/83/51/1101188351.db2.gz WJBOSKNIAHNWHL-UHFFFAOYSA-N 0 0 330.331 2.895 10 5 EFBERN O=c1[nH]ccc(NCCNc2ncccc2C(F)(F)F)c1[N+](=O)[O-] ZINC001642095171 1101190009 /nfs/dbraw/zinc/19/00/09/1101190009.db2.gz APRJAWUEAVTXDH-UHFFFAOYSA-N 0 0 343.265 2.633 10 5 EFBERN CN(Cc1nnc2ccccn21)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001642165335 1101194577 /nfs/dbraw/zinc/19/45/77/1101194577.db2.gz FRRRPQFJDWFAKX-UHFFFAOYSA-N 0 0 334.339 2.822 10 5 EFBERN CCCOC(=O)CCNc1cc(C)c(C(=O)OCC)cc1[N+](=O)[O-] ZINC001642232839 1101200234 /nfs/dbraw/zinc/20/02/34/1101200234.db2.gz UORAUYUJGVHKSW-UHFFFAOYSA-N 0 0 338.360 2.835 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCCc1nsc2ccccc21 ZINC001642258403 1101201769 /nfs/dbraw/zinc/20/17/69/1101201769.db2.gz DJUJWYHAULADOG-UHFFFAOYSA-N 0 0 342.380 2.759 10 5 EFBERN CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001642318853 1101204775 /nfs/dbraw/zinc/20/47/75/1101204775.db2.gz VGHFIWQDFGFXIC-CYBMUJFWSA-N 0 0 343.368 2.636 10 5 EFBERN CSC[C@@](C)(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001642309819 1101205453 /nfs/dbraw/zinc/20/54/53/1101205453.db2.gz NCBWSSVJXRXIRZ-AWEZNQCLSA-N 0 0 341.820 2.744 10 5 EFBERN COC(=O)Nc1ccc(CCNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001642306474 1101205503 /nfs/dbraw/zinc/20/55/03/1101205503.db2.gz CIAOGLZKEVMLHS-UHFFFAOYSA-N 0 0 334.307 2.962 10 5 EFBERN CCOC(=O)[C@@H](C)CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001642359525 1101208541 /nfs/dbraw/zinc/20/85/41/1101208541.db2.gz NGHKGZUJIWUFJJ-VIFPVBQESA-N 0 0 337.763 2.829 10 5 EFBERN CC(C)N1C(=O)C[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1=O ZINC001642356849 1101208874 /nfs/dbraw/zinc/20/88/74/1101208874.db2.gz UQKCRCKFZNQWHF-SNVBAGLBSA-N 0 0 345.277 2.561 10 5 EFBERN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001642411001 1101212357 /nfs/dbraw/zinc/21/23/57/1101212357.db2.gz RQGKNDBKVKXLEJ-LSDHHAIUSA-N 0 0 340.383 2.980 10 5 EFBERN O=C(Nc1nc2cc3c(cc2[nH]1)OCO3)c1c(F)cccc1[N+](=O)[O-] ZINC001642424609 1101213349 /nfs/dbraw/zinc/21/33/49/1101213349.db2.gz XBSIXNUIQSNASP-UHFFFAOYSA-N 0 0 344.258 2.591 10 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/nfs/dbraw/zinc/21/99/02/1101219902.db2.gz VOBIHYUWXUXBMR-UHFFFAOYSA-N 0 0 330.735 2.636 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC(O)(c2ccccc2)C1 ZINC001642529437 1101220534 /nfs/dbraw/zinc/22/05/34/1101220534.db2.gz QUVTXTRBKATWFG-UHFFFAOYSA-N 0 0 346.770 2.521 10 5 EFBERN CC(=O)c1ccc2c(c1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC001642535988 1101220896 /nfs/dbraw/zinc/22/08/96/1101220896.db2.gz VTLWMQUFRIASPB-UHFFFAOYSA-N 0 0 343.314 2.675 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(CCO)c1 ZINC001642561521 1101223092 /nfs/dbraw/zinc/22/30/92/1101223092.db2.gz MACTVYHTIXKGOV-UHFFFAOYSA-N 0 0 334.759 2.964 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCN2Cc1nnc(-c2ccccc2O)o1 ZINC001642580491 1101224514 /nfs/dbraw/zinc/22/45/14/1101224514.db2.gz OOMRLBYFKJVPMZ-UHFFFAOYSA-N 0 0 338.323 2.913 10 5 EFBERN COc1ccc2c(c1)nc(CNc1c(Cl)cncc1[N+](=O)[O-])n2C ZINC001642601021 1101226551 /nfs/dbraw/zinc/22/65/51/1101226551.db2.gz UGLYWJPJBLSGRB-UHFFFAOYSA-N 0 0 347.762 2.573 10 5 EFBERN C[C@](CO)(NC(=O)c1ccnc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001642692061 1101232141 /nfs/dbraw/zinc/23/21/41/1101232141.db2.gz JQDCWAMMJCVKCI-GOSISDBHSA-N 0 0 341.367 2.505 10 5 EFBERN NC(=O)c1cc(Nc2ccc([C@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC001642734222 1101238032 /nfs/dbraw/zinc/23/80/32/1101238032.db2.gz AVIAYQIZPFBAEF-LBPRGKRZSA-N 0 0 327.340 2.941 10 5 EFBERN Cn1nc2c(c1N)CN(c1c3cc(Cl)ccc3ncc1[N+](=O)[O-])C2 ZINC001642771585 1101240382 /nfs/dbraw/zinc/24/03/82/1101240382.db2.gz VSVYHMPGXIDOID-UHFFFAOYSA-N 0 0 344.762 2.632 10 5 EFBERN CC(C)O[C@H]1C[C@@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001642778139 1101241109 /nfs/dbraw/zinc/24/11/09/1101241109.db2.gz UKNJROPYSDPJRT-KLPPZKSPSA-N 0 0 346.343 2.841 10 5 EFBERN COc1ccc(C(=O)N2CCOc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC001642783634 1101241458 /nfs/dbraw/zinc/24/14/58/1101241458.db2.gz VGHJWFJCZCXBRF-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN CNc1nccc(C(=O)NCc2ccc(C(C)(C)C)o2)c1[N+](=O)[O-] ZINC001642807413 1101243642 /nfs/dbraw/zinc/24/36/42/1101243642.db2.gz MAEGOSYQSWSAMU-UHFFFAOYSA-N 0 0 332.360 2.852 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](Nc2ncccn2)C1 ZINC001642853291 1101249384 /nfs/dbraw/zinc/24/93/84/1101249384.db2.gz UAFDULJNNQAQBG-LBPRGKRZSA-N 0 0 336.355 2.624 10 5 EFBERN CC(C)C(C)(C)C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001642859582 1101250501 /nfs/dbraw/zinc/25/05/01/1101250501.db2.gz LHKFDYTYWUNJNT-UHFFFAOYSA-N 0 0 333.432 2.921 10 5 EFBERN O=c1ccc(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c[nH]1 ZINC001642877429 1101253068 /nfs/dbraw/zinc/25/30/68/1101253068.db2.gz FJVWEPSXJUXXBU-UHFFFAOYSA-N 0 0 325.271 2.951 10 5 EFBERN CCC[C@H](C)N1C[C@H](C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC001642928632 1101257622 /nfs/dbraw/zinc/25/76/22/1101257622.db2.gz AHAWHQOIOWESBH-DZGCQCFKSA-N 0 0 347.415 2.557 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(F)c(F)c1F ZINC001643003571 1101263737 /nfs/dbraw/zinc/26/37/37/1101263737.db2.gz ZUOCHKUUPNYJTJ-UHFFFAOYSA-N 0 0 329.209 2.986 10 5 EFBERN CC(C)(C)OC1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001643027303 1101264885 /nfs/dbraw/zinc/26/48/85/1101264885.db2.gz CKQXWNFBOWBSHM-UHFFFAOYSA-N 0 0 336.392 2.627 10 5 EFBERN CC1(C)C[C@@H](O)CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001643063338 1101267414 /nfs/dbraw/zinc/26/74/14/1101267414.db2.gz CVVCSGQEJZVTEV-SNVBAGLBSA-N 0 0 329.194 2.955 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H]2CC3(CO2)CCOCC3)c([N+](=O)[O-])c1 ZINC001643072027 1101268405 /nfs/dbraw/zinc/26/84/05/1101268405.db2.gz ZFJCGKOUOYSAIH-LBPRGKRZSA-N 0 0 337.332 2.501 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCc1ccnc(-c2ccccn2)n1 ZINC001643115800 1101272034 /nfs/dbraw/zinc/27/20/34/1101272034.db2.gz XVTKOOWHCRVMJH-UHFFFAOYSA-N 0 0 342.746 2.529 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001643152262 1101275540 /nfs/dbraw/zinc/27/55/40/1101275540.db2.gz AVTKHRGMSJJVJM-MGPLVRAMSA-N 0 0 333.344 2.541 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001643153818 1101275872 /nfs/dbraw/zinc/27/58/72/1101275872.db2.gz GRFOPPOWHKYXMM-CQSZACIVSA-N 0 0 349.387 2.513 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NCCN2Cc3ccccc3OCC2=O)c1 ZINC001643167806 1101276555 /nfs/dbraw/zinc/27/65/55/1101276555.db2.gz FQVMJTJNWXDMBE-UHFFFAOYSA-N 0 0 341.367 2.736 10 5 EFBERN COC(=O)c1cnc(CNc2ccc3cnccc3c2[N+](=O)[O-])s1 ZINC001643189794 1101277630 /nfs/dbraw/zinc/27/76/30/1101277630.db2.gz AADWJAHHFPKGQW-UHFFFAOYSA-N 0 0 344.352 2.998 10 5 EFBERN Cn1ccc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001643199806 1101279660 /nfs/dbraw/zinc/27/96/60/1101279660.db2.gz JPGHPUKUKWTVCF-LLVKDONJSA-N 0 0 331.332 2.621 10 5 EFBERN C[C@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCO1 ZINC001643210064 1101280395 /nfs/dbraw/zinc/28/03/95/1101280395.db2.gz QNOPKXUZUVBUNJ-JTQLQIEISA-N 0 0 332.316 2.666 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](c2ncccn2)C2CC2)c1[N+](=O)[O-] ZINC001643214436 1101281102 /nfs/dbraw/zinc/28/11/02/1101281102.db2.gz YAEPLIXHLKFLDA-GFCCVEGCSA-N 0 0 343.343 2.520 10 5 EFBERN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CCS1(=O)=O ZINC001643225931 1101282375 /nfs/dbraw/zinc/28/23/75/1101282375.db2.gz GXYLORKZZBYBAC-QWRGUYRKSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CCS1(=O)=O ZINC001643225930 1101282482 /nfs/dbraw/zinc/28/24/82/1101282482.db2.gz GXYLORKZZBYBAC-MNOVXSKESA-N 0 0 335.385 2.521 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001643225835 1101282689 /nfs/dbraw/zinc/28/26/89/1101282689.db2.gz COMWFNYQHIWLAT-LBPRGKRZSA-N 0 0 336.392 2.744 10 5 EFBERN CCOC(=O)C1(NC(=O)c2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000058409827 1101282788 /nfs/dbraw/zinc/28/27/88/1101282788.db2.gz HSJGVMQMQZKUII-UHFFFAOYSA-N 0 0 334.372 2.899 10 5 EFBERN Cc1cnc(N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001643226093 1101282890 /nfs/dbraw/zinc/28/28/90/1101282890.db2.gz LZQXTAHQSOKFOH-GFCCVEGCSA-N 0 0 336.392 2.744 10 5 EFBERN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cc(Cl)cc2c1OCC2 ZINC001643225854 1101282944 /nfs/dbraw/zinc/28/29/44/1101282944.db2.gz DHRDEIVCDYWAPQ-ZETCQYMHSA-N 0 0 335.751 2.728 10 5 EFBERN O=C(Nc1cc(CO)ccn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001643259039 1101285045 /nfs/dbraw/zinc/28/50/45/1101285045.db2.gz IQLSFTIEDARJOR-UHFFFAOYSA-N 0 0 329.337 2.949 10 5 EFBERN COC(=O)c1cnc(Oc2cccc(C(F)(F)F)c2[N+](=O)[O-])nc1 ZINC001643266068 1101285908 /nfs/dbraw/zinc/28/59/08/1101285908.db2.gz XLOSCQWUOCNMFL-UHFFFAOYSA-N 0 0 343.217 2.983 10 5 EFBERN NC(=O)c1cc2cc(NC(=O)c3c(F)cccc3[N+](=O)[O-])ccc2[nH]1 ZINC001643263597 1101285995 /nfs/dbraw/zinc/28/59/95/1101285995.db2.gz KCSHYIHALAWAEP-UHFFFAOYSA-N 0 0 342.286 2.566 10 5 EFBERN COC(=O)CC1(CNc2nc3ccccn3c2[N+](=O)[O-])CCCC1 ZINC001643270973 1101286106 /nfs/dbraw/zinc/28/61/06/1101286106.db2.gz WZURVWOVVDVGHR-UHFFFAOYSA-N 0 0 332.360 2.778 10 5 EFBERN CN(c1cccc(CNc2sccc2[N+](=O)[O-])c1)S(C)(=O)=O ZINC001643294766 1101288562 /nfs/dbraw/zinc/28/85/62/1101288562.db2.gz SHARZACJCCGAOG-UHFFFAOYSA-N 0 0 341.414 2.664 10 5 EFBERN Cc1ccc(NCCCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC001643294171 1101288583 /nfs/dbraw/zinc/28/85/83/1101288583.db2.gz DZZZWAZAMMBEFX-UHFFFAOYSA-N 0 0 349.412 2.595 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001643319572 1101290292 /nfs/dbraw/zinc/29/02/92/1101290292.db2.gz BWJIYHZBTZZKNJ-CMPLNLGQSA-N 0 0 336.344 2.525 10 5 EFBERN CCOC(OCC)[C@@H](C)Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001643327013 1101290339 /nfs/dbraw/zinc/29/03/39/1101290339.db2.gz ABBXOAQFGYYBOO-SNVBAGLBSA-N 0 0 328.365 2.812 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCCn3cc(-c4ccccc4)nn3)nc2c1 ZINC001643319704 1101290726 /nfs/dbraw/zinc/29/07/26/1101290726.db2.gz IMJMSUVBMABZEV-UHFFFAOYSA-N 0 0 349.354 2.842 10 5 EFBERN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001643339216 1101291412 /nfs/dbraw/zinc/29/14/12/1101291412.db2.gz JVCNMIKFSHDAGU-VIFPVBQESA-N 0 0 326.312 2.809 10 5 EFBERN COCn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cn1 ZINC001643367912 1101293398 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EFBERN O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001651325318 1101310089 /nfs/dbraw/zinc/31/00/89/1101310089.db2.gz PPGMRSCJYRTYEK-ZDUSSCGKSA-N 0 0 334.759 2.582 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3csc(C)n3)c2c1 ZINC001651343133 1101311420 /nfs/dbraw/zinc/31/14/20/1101311420.db2.gz PINYWXMTUBYTGV-UHFFFAOYSA-N 0 0 344.396 2.993 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)CC(C)(C)C2)cc1C ZINC001651333999 1101312565 /nfs/dbraw/zinc/31/25/65/1101312565.db2.gz ONEWWQPRGPATGY-LBPRGKRZSA-N 0 0 336.388 2.677 10 5 EFBERN CCOC(=O)CCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001651348701 1101313143 /nfs/dbraw/zinc/31/31/43/1101313143.db2.gz YEIFXFCNQZDNLK-UHFFFAOYSA-N 0 0 337.763 2.974 10 5 EFBERN CN(Cc1ccccc1OC(F)(F)F)c1nn(C)cc1[N+](=O)[O-] ZINC001651345244 1101314089 /nfs/dbraw/zinc/31/40/89/1101314089.db2.gz WYJLTYMDYFCYRV-UHFFFAOYSA-N 0 0 330.266 2.863 10 5 EFBERN Cc1nc(NCCN2c3ccccc3CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001651384883 1101319560 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CCOc1cccnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001651418813 1101325550 /nfs/dbraw/zinc/32/55/50/1101325550.db2.gz WFQPVYSYWLRLIB-UHFFFAOYSA-N 0 0 328.372 2.715 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccccc1CO ZINC001651415432 1101327108 /nfs/dbraw/zinc/32/71/08/1101327108.db2.gz FXNBIMKAQAWPIB-UHFFFAOYSA-N 0 0 327.315 2.808 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H](CO)CCc3ccccc3)nc2c1 ZINC001651429920 1101327948 /nfs/dbraw/zinc/32/79/48/1101327948.db2.gz PHDRDXBCKGUCSF-ZDUSSCGKSA-N 0 0 326.356 2.877 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccccn2)c(Br)c1 ZINC001651438296 1101330019 /nfs/dbraw/zinc/33/00/19/1101330019.db2.gz HEEQRLMQALNHKH-CYBMUJFWSA-N 0 0 338.161 2.898 10 5 EFBERN CC(F)(F)CN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001651457186 1101332109 /nfs/dbraw/zinc/33/21/09/1101332109.db2.gz MNMOZWQUIMIJBT-UHFFFAOYSA-N 0 0 336.342 2.920 10 5 EFBERN Cc1cc(=O)[nH]c(N2CCC(Nc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC001651460465 1101332820 /nfs/dbraw/zinc/33/28/20/1101332820.db2.gz 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EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ncccc1Cl ZINC001651786902 1101382206 /nfs/dbraw/zinc/38/22/06/1101382206.db2.gz HZIZADHFELBVOR-UHFFFAOYSA-N 0 0 342.742 2.915 10 5 EFBERN O=C(CSc1cc(F)c([N+](=O)[O-])cc1CO)Nc1ccccc1 ZINC001651788056 1101383718 /nfs/dbraw/zinc/38/37/18/1101383718.db2.gz YJGMVDUGGSZAAO-UHFFFAOYSA-N 0 0 336.344 2.957 10 5 EFBERN NC(=O)c1cc(N2CC[C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001651801474 1101385617 /nfs/dbraw/zinc/38/56/17/1101385617.db2.gz XBNWJKUWBGCCRP-GFCCVEGCSA-N 0 0 329.331 2.827 10 5 EFBERN Cc1nc(Nc2ccc(F)c(N3CCOC3=O)c2)ncc1[N+](=O)[O-] ZINC001651815312 1101388133 /nfs/dbraw/zinc/38/81/33/1101388133.db2.gz UXQLWLVGFXXVKM-UHFFFAOYSA-N 0 0 333.279 2.533 10 5 EFBERN COc1ccc(C2(C(=O)Nc3cc([N+](=O)[O-])n[nH]3)CCCC2)cc1 ZINC001651835160 1101391226 /nfs/dbraw/zinc/39/12/26/1101391226.db2.gz SEYOLTGFHDAOBR-UHFFFAOYSA-N 0 0 330.344 2.777 10 5 EFBERN O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001651834908 1101391813 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COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1O ZINC001625805589 1101440340 /nfs/dbraw/zinc/44/03/40/1101440340.db2.gz QBJYHUMZYXLABJ-HUUCEWRRSA-N 0 0 342.351 2.729 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](C2CCC2)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC001652143865 1101443647 /nfs/dbraw/zinc/44/36/47/1101443647.db2.gz FDLXPROQDNTGLE-TZMCWYRMSA-N 0 0 349.387 2.784 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1Nc1cccc([C@@]2(C)COC(=O)N2)c1 ZINC001652174514 1101447042 /nfs/dbraw/zinc/44/70/42/1101447042.db2.gz UIKIQSYGPHILGE-MRXNPFEDSA-N 0 0 328.328 2.997 10 5 EFBERN O=c1[nH]c(C2CC2)nc2c1CN(c1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001652189319 1101449440 /nfs/dbraw/zinc/44/94/40/1101449440.db2.gz UBUMFAMUXIFCFC-UHFFFAOYSA-N 0 0 334.282 2.766 10 5 EFBERN CCC(=O)c1ccc(NCCN2CCOC[C@H]2CC)c([N+](=O)[O-])c1 ZINC001652197873 1101450893 /nfs/dbraw/zinc/45/08/93/1101450893.db2.gz IVYXHTHKPFGNPS-CQSZACIVSA-N 0 0 335.404 2.710 10 5 EFBERN COc1cccc(C(=O)NCc2c(C)cc(CO)cc2C)c1[N+](=O)[O-] ZINC001652199082 1101451690 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EFBERN CC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC001652250585 1101460619 /nfs/dbraw/zinc/46/06/19/1101460619.db2.gz UJLWXBBBIPEFEK-LBPRGKRZSA-N 0 0 335.385 2.957 10 5 EFBERN Cc1csc(C[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)n1 ZINC001652264519 1101463039 /nfs/dbraw/zinc/46/30/39/1101463039.db2.gz SODOQASZWGZOTG-LLVKDONJSA-N 0 0 346.412 2.528 10 5 EFBERN CC[C@@H](NC(=O)NCc1cccnc1N)c1cccc([N+](=O)[O-])c1 ZINC001670668325 1101465098 /nfs/dbraw/zinc/46/50/98/1101465098.db2.gz ZBALFBADVYWKFR-CQSZACIVSA-N 0 0 329.360 2.523 10 5 EFBERN COC(=O)c1cccc2c1OCCN(c1ccc(F)cc1[N+](=O)[O-])C2 ZINC001652284845 1101468733 /nfs/dbraw/zinc/46/87/33/1101468733.db2.gz MUFLCEWSYHFYEG-UHFFFAOYSA-N 0 0 346.314 2.920 10 5 EFBERN CCOC(=O)C1(CNc2c(Cl)cncc2[N+](=O)[O-])CCCC1 ZINC001652294461 1101471739 /nfs/dbraw/zinc/47/17/39/1101471739.db2.gz OEXZWCASXDWYHZ-UHFFFAOYSA-N 0 0 327.768 2.601 10 5 EFBERN CCc1cc(NCC(C)(C)[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001652300308 1101471747 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2.726 10 5 EFBERN CCCc1n[nH]c(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001652939055 1101568609 /nfs/dbraw/zinc/56/86/09/1101568609.db2.gz JFMFYQLJASIRRQ-HBGPKNEHSA-N 0 0 330.388 2.555 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@@H]2c2ncc[nH]2)o1 ZINC001653061644 1101581179 /nfs/dbraw/zinc/58/11/79/1101581179.db2.gz YFCTZOYENSNEDV-CYBMUJFWSA-N 0 0 340.343 2.705 10 5 EFBERN Nc1c(C(=O)N[C@H]2CCCc3ccccc3C2)cc(F)cc1[N+](=O)[O-] ZINC001653095343 1101584937 /nfs/dbraw/zinc/58/49/37/1101584937.db2.gz FBHXBMSZJBNHEJ-AWEZNQCLSA-N 0 0 343.358 2.994 10 5 EFBERN Cc1cnc2c(cnn2CC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001266633140 1101586012 /nfs/dbraw/zinc/58/60/12/1101586012.db2.gz CMPKHCFFYDTCFW-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN O=C(N[C@@H]1CC[C@H]1O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001653127457 1101589333 /nfs/dbraw/zinc/58/93/33/1101589333.db2.gz FZMFEDHGCTVEPF-HUUCEWRRSA-N 0 0 328.324 2.640 10 5 EFBERN COC(=O)C1=C(C)O[C@@H](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001653134520 1101590292 /nfs/dbraw/zinc/59/02/92/1101590292.db2.gz SNZJUMUUSTYTJO-CQSZACIVSA-N 0 0 343.339 2.694 10 5 EFBERN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C2CCC2)cc1 ZINC001653137729 1101590959 /nfs/dbraw/zinc/59/09/59/1101590959.db2.gz YMYWJMJKONACMW-OAHLLOKOSA-N 0 0 330.344 2.598 10 5 EFBERN COc1ccc(/C=C\C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1O ZINC001653217940 1101598512 /nfs/dbraw/zinc/59/85/12/1101598512.db2.gz QPLSZCQNRLNMIK-YVMONPNESA-N 0 0 343.339 2.852 10 5 EFBERN Cc1ccc(NC(=O)c2cnc3n2[C@H](C)CCC3)c(N)c1[N+](=O)[O-] ZINC001653217697 1101598684 /nfs/dbraw/zinc/59/86/84/1101598684.db2.gz KQABOZDSZSUNSS-SNVBAGLBSA-N 0 0 329.360 2.832 10 5 EFBERN COc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1O ZINC001653217939 1101599385 /nfs/dbraw/zinc/59/93/85/1101599385.db2.gz QPLSZCQNRLNMIK-VMPITWQZSA-N 0 0 343.339 2.852 10 5 EFBERN CNc1nccc(C(=O)N2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001653347466 1101612785 /nfs/dbraw/zinc/61/27/85/1101612785.db2.gz KJGKEBKMKLJRCM-UHFFFAOYSA-N 0 0 332.747 2.888 10 5 EFBERN O=C(NC/C=C\Cl)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001653351770 1101613410 /nfs/dbraw/zinc/61/34/10/1101613410.db2.gz VKFDBIJIFINIJI-UPHRSURJSA-N 0 0 337.532 2.979 10 5 EFBERN Nc1ccc(C(=O)N2CC3(CC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC001653406362 1101618793 /nfs/dbraw/zinc/61/87/93/1101618793.db2.gz PMKQOUFXRFCWPZ-UHFFFAOYSA-N 0 0 325.324 2.749 10 5 EFBERN O=C(Nc1cnn(-c2ccccc2)n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001266343544 1101618987 /nfs/dbraw/zinc/61/89/87/1101618987.db2.gz ORUAUKXNDRDKIB-CVEARBPZSA-N 0 0 349.350 2.918 10 5 EFBERN O=C(Nc1cnn(-c2ccccc2)n1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001266343546 1101619772 /nfs/dbraw/zinc/61/97/72/1101619772.db2.gz ORUAUKXNDRDKIB-HZPDHXFCSA-N 0 0 349.350 2.918 10 5 EFBERN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC001653476781 1101624971 /nfs/dbraw/zinc/62/49/71/1101624971.db2.gz JKTKSKQTOZTGHT-UHFFFAOYSA-N 0 0 326.312 2.850 10 5 EFBERN COC(=O)CN(CCC(F)(F)F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001653549487 1101630787 /nfs/dbraw/zinc/63/07/87/1101630787.db2.gz HNQGUUPHPSJONB-UHFFFAOYSA-N 0 0 338.257 2.661 10 5 EFBERN O=C(Nc1ccnn1C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001653589729 1101635278 /nfs/dbraw/zinc/63/52/78/1101635278.db2.gz QHLGTNHQZANSOZ-UHFFFAOYSA-N 0 0 338.327 2.564 10 5 EFBERN Cc1cc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3N)sc2cc1F ZINC001653612337 1101636581 /nfs/dbraw/zinc/63/65/81/1101636581.db2.gz JNJRUGVIEBQMMI-UHFFFAOYSA-N 0 0 347.331 2.882 10 5 EFBERN Cc1cc(-n2cccn2)ccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001653693785 1101643466 /nfs/dbraw/zinc/64/34/66/1101643466.db2.gz DXXWCCSUQFVGOU-UHFFFAOYSA-N 0 0 330.388 2.632 10 5 EFBERN CCOc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1F ZINC001141987815 1101674851 /nfs/dbraw/zinc/67/48/51/1101674851.db2.gz USCDTGAWAAPXTK-UHFFFAOYSA-N 0 0 328.687 2.761 10 5 EFBERN C[C@H]1[C@H](CO)CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001654308608 1101702143 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EFBERN COc1cc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)sn1 ZINC001654900297 1101766614 /nfs/dbraw/zinc/76/66/14/1101766614.db2.gz DCQCNISGDRBYHH-UHFFFAOYSA-N 0 0 334.357 2.833 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])c1cc(C(F)F)nc2ncnn21 ZINC001654954985 1101772902 /nfs/dbraw/zinc/77/29/02/1101772902.db2.gz ICMJTZBXWLPRSY-UHFFFAOYSA-N 0 0 334.286 2.607 10 5 EFBERN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccns1 ZINC001655017358 1101777467 /nfs/dbraw/zinc/77/74/67/1101777467.db2.gz AOVPDGXRPRPZSK-UHFFFAOYSA-N 0 0 340.792 2.775 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCc3c(Br)cccc3C2)n1 ZINC001655072512 1101784422 /nfs/dbraw/zinc/78/44/22/1101784422.db2.gz PTVMNBCNUUYWPW-UHFFFAOYSA-N 0 0 337.177 2.654 10 5 EFBERN Cc1cc(F)ccc1N1CCC[C@@H](Nc2nn(C)cc2[N+](=O)[O-])C1 ZINC001655145972 1101790641 /nfs/dbraw/zinc/79/06/41/1101790641.db2.gz PRQJHXDVXXTXAU-CYBMUJFWSA-N 0 0 333.367 2.857 10 5 EFBERN CC(=O)Nc1ccccc1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001655195343 1101794575 /nfs/dbraw/zinc/79/45/75/1101794575.db2.gz GWAWEXXVVIICFX-UHFFFAOYSA-N 0 0 333.319 2.797 10 5 EFBERN CCOC(=O)[C@@H](C)CNc1c(Br)cccc1[N+](=O)[O-] ZINC001655211809 1101795573 /nfs/dbraw/zinc/79/55/73/1101795573.db2.gz JXJUCRJPHSBVPO-QMMMGPOBSA-N 0 0 331.166 2.968 10 5 EFBERN CC(C)N1C(=O)C[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1=O ZINC001655209572 1101796538 /nfs/dbraw/zinc/79/65/38/1101796538.db2.gz ZRCGKWKDYNHLSC-MRVPVSSYSA-N 0 0 346.170 2.849 10 5 EFBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(C2OCCO2)cc1 ZINC001266383654 1101796809 /nfs/dbraw/zinc/79/68/09/1101796809.db2.gz KQVBKFLBLIOPIV-UHFFFAOYSA-N 0 0 333.271 2.999 10 5 EFBERN CC(=O)c1ccc(NCc2nc(C(F)(F)F)no2)c([N+](=O)[O-])c1 ZINC001655316286 1101808503 /nfs/dbraw/zinc/80/85/03/1101808503.db2.gz CPJYNZWLEWPKOZ-UHFFFAOYSA-N 0 0 330.222 2.811 10 5 EFBERN O=C1[C@H](N2Cc3ccccc3CO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001655389642 1101818449 /nfs/dbraw/zinc/81/84/49/1101818449.db2.gz OBQYQAWRLIZYOL-QGZVFWFLSA-N 0 0 339.351 2.648 10 5 EFBERN O=C1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CN1CC1CC1 ZINC001655422543 1101825756 /nfs/dbraw/zinc/82/57/56/1101825756.db2.gz NUFJMUOIRXZIDG-UHFFFAOYSA-N 0 0 330.171 2.918 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Nc2ccc(OCCCO)cc2)cc1F ZINC001655458165 1101831202 /nfs/dbraw/zinc/83/12/02/1101831202.db2.gz LCQBOSFASRRRLK-UHFFFAOYSA-N 0 0 336.319 2.731 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NC[C@@H](O)Cc3cccc(F)c3)c2c1 ZINC001655515529 1101837988 /nfs/dbraw/zinc/83/79/88/1101837988.db2.gz ACTIXKDMSYMNCS-AWEZNQCLSA-N 0 0 342.330 2.693 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC001655579220 1101848803 /nfs/dbraw/zinc/84/88/03/1101848803.db2.gz LDLSHLWEOLKJNM-XTULLQBASA-N 0 0 334.357 2.806 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN[C@H](c3ncccn3)C3CC3)nc2c1 ZINC001655654066 1101863948 /nfs/dbraw/zinc/86/39/48/1101863948.db2.gz AZVQWJNPKQTAOG-HNNXBMFYSA-N 0 0 325.328 2.767 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H](CO)CCC(C)C)c([N+](=O)[O-])c1 ZINC001655672448 1101867682 /nfs/dbraw/zinc/86/76/82/1101867682.db2.gz KTZZLDJUKBQIGA-MRZGDXHCSA-N 0 0 336.388 2.990 10 5 EFBERN CC(C)(C)[C@@H]1CNC(=O)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001655695451 1101874172 /nfs/dbraw/zinc/87/41/72/1101874172.db2.gz CQBJUGIOEJYANP-ZDUSSCGKSA-N 0 0 325.796 2.595 10 5 EFBERN NC(=O)c1ccnc(NCc2ccsc2C(F)(F)F)c1[N+](=O)[O-] ZINC001655741663 1101883325 /nfs/dbraw/zinc/88/33/25/1101883325.db2.gz YKSUPSWEROGRHF-UHFFFAOYSA-N 0 0 346.290 2.781 10 5 EFBERN Cc1nc(NCCC(C)(C)NC(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC001655808246 1101891999 /nfs/dbraw/zinc/89/19/99/1101891999.db2.gz HSZJQTZVGNUMCA-UHFFFAOYSA-N 0 0 339.396 2.799 10 5 EFBERN O=C1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CN1CC1CC1 ZINC001655798289 1101892345 /nfs/dbraw/zinc/89/23/45/1101892345.db2.gz DYKKJDLJLMXVEW-CYBMUJFWSA-N 0 0 326.356 2.566 10 5 EFBERN Cc1ccc(NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)c([N+](=O)[O-])c1 ZINC001655838702 1101898536 /nfs/dbraw/zinc/89/85/36/1101898536.db2.gz ZQKFDFGGZIRSAH-UHFFFAOYSA-N 0 0 332.360 2.533 10 5 EFBERN Cc1cc(CCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])nn1C ZINC001655829428 1101899636 /nfs/dbraw/zinc/89/96/36/1101899636.db2.gz GBRDLCQJUZSFTQ-UHFFFAOYSA-N 0 0 345.790 2.915 10 5 EFBERN C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001655840312 1101900588 /nfs/dbraw/zinc/90/05/88/1101900588.db2.gz RTUBJMNFSVFPEF-BXUZGUMPSA-N 0 0 326.356 2.676 10 5 EFBERN CCc1nccn1CCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001655850543 1101901162 /nfs/dbraw/zinc/90/11/62/1101901162.db2.gz MCUFYBGCOVBQAJ-ALCCZGGFSA-N 0 0 344.371 2.652 10 5 EFBERN Cc1cc(C(F)(F)F)nn1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC001655856710 1101901991 /nfs/dbraw/zinc/90/19/91/1101901991.db2.gz RVLMTVSFHKXHTQ-UHFFFAOYSA-N 0 0 349.700 2.701 10 5 EFBERN CN(CCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001655856856 1101902529 /nfs/dbraw/zinc/90/25/29/1101902529.db2.gz XAIQXZLSZFWABC-UHFFFAOYSA-N 0 0 345.311 2.911 10 5 EFBERN CC(=O)c1ccc(NC[C@@H](O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001655856639 1101902992 /nfs/dbraw/zinc/90/29/92/1101902992.db2.gz PRFFCTFRCWPBPG-HNNXBMFYSA-N 0 0 332.331 2.952 10 5 EFBERN CC[C@H](CN1CCOCC1)Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001655869916 1101903968 /nfs/dbraw/zinc/90/39/68/1101903968.db2.gz DQFNUSXVOZVMHA-LLVKDONJSA-N 0 0 343.811 2.780 10 5 EFBERN NC(=O)c1ccnc(NCCC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC001655867220 1101904118 /nfs/dbraw/zinc/90/41/18/1101904118.db2.gz DPMMOKSYIJEKPT-UHFFFAOYSA-N 0 0 326.356 2.623 10 5 EFBERN C[C@](O)(CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(F)c1 ZINC001655872241 1101904420 /nfs/dbraw/zinc/90/44/20/1101904420.db2.gz HBCFILQSSSQPSI-KRWDZBQOSA-N 0 0 342.330 2.997 10 5 EFBERN CN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001655877213 1101904977 /nfs/dbraw/zinc/90/49/77/1101904977.db2.gz HPKQUNJSMCCMLV-SJORKVTESA-N 0 0 347.415 2.591 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ncc[nH]2)nc1-c1ccccc1 ZINC001655892555 1101906016 /nfs/dbraw/zinc/90/60/16/1101906016.db2.gz GZGWMHUTWRYYGU-LBPRGKRZSA-N 0 0 325.328 2.525 10 5 EFBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CCS1(=O)=O ZINC001655887545 1101906865 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338.371 2.656 10 5 EFBERN Nc1nccc2c1CN(c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC001655942288 1101914752 /nfs/dbraw/zinc/91/47/52/1101914752.db2.gz KUJGGUNZASBVNN-UHFFFAOYSA-N 0 0 349.188 2.897 10 5 EFBERN Cc1ccc(N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c([N+](=O)[O-])c1 ZINC001655938133 1101914938 /nfs/dbraw/zinc/91/49/38/1101914938.db2.gz VWBMKGGGJVIZOJ-SNVBAGLBSA-N 0 0 349.778 2.743 10 5 EFBERN Cc1nn(C)c(C)c1[C@H](O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001655948270 1101916052 /nfs/dbraw/zinc/91/60/52/1101916052.db2.gz JWEASAJDPGCMLN-MRXNPFEDSA-N 0 0 341.371 2.639 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H]2CCOCC23CCCC3)c1[N+](=O)[O-] ZINC001655952812 1101916506 /nfs/dbraw/zinc/91/65/06/1101916506.db2.gz IDXOLZBJFLDNRV-ZDUSSCGKSA-N 0 0 349.387 2.846 10 5 EFBERN C[C@H]1CCC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)O1 ZINC001167153148 1101942907 /nfs/dbraw/zinc/94/29/07/1101942907.db2.gz AQVDURAPWPLWCE-YUMQZZPRSA-N 0 0 345.758 2.657 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC001648911423 1101969464 /nfs/dbraw/zinc/96/94/64/1101969464.db2.gz HXRKVBOXUWVTEF-UHFFFAOYSA-N 0 0 346.343 2.858 10 5 EFBERN Cc1ccc(C(C)C)cc1OCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748102856 1101982963 /nfs/dbraw/zinc/98/29/63/1101982963.db2.gz QRYTXYFHSULMJR-UHFFFAOYSA-N 0 0 347.371 2.845 10 5 EFBERN C=C/C=C\CCn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O ZINC001656201847 1101998477 /nfs/dbraw/zinc/99/84/77/1101998477.db2.gz WYOPMJXZQZZXPY-ARJAWSKDSA-N 0 0 337.339 2.623 10 5 EFBERN Cc1cc(C)c(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001656250012 1102016879 /nfs/dbraw/zinc/01/68/79/1102016879.db2.gz REWBRBONLHDVAG-UHFFFAOYSA-N 0 0 340.339 2.780 10 5 EFBERN O=c1cc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)nc(C2CC2)[nH]1 ZINC001656276717 1102024021 /nfs/dbraw/zinc/02/40/21/1102024021.db2.gz QSUYFZFKHFGAAP-UHFFFAOYSA-N 0 0 337.339 2.880 10 5 EFBERN Cc1ccc(CSc2nnc([C@H]3CCCCO3)n2N)cc1[N+](=O)[O-] ZINC001656308617 1102030409 /nfs/dbraw/zinc/03/04/09/1102030409.db2.gz RJSONMNTAOFUDE-CYBMUJFWSA-N 0 0 349.416 2.742 10 5 EFBERN CC(C)(C)OC(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H]2C[C@@H]21 ZINC001656365719 1102043663 /nfs/dbraw/zinc/04/36/63/1102043663.db2.gz XXXQZLCHDXABRY-NEPJUHHUSA-N 0 0 339.417 2.850 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@@H]([C@@H]2CCOC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001656373407 1102043820 /nfs/dbraw/zinc/04/38/20/1102043820.db2.gz VREHRQFOHVKGKU-SKDRFNHKSA-N 0 0 349.265 2.560 10 5 EFBERN COc1cccc([S@@](=O)CC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001648798026 1102080681 /nfs/dbraw/zinc/08/06/81/1102080681.db2.gz LNBJYLRTKPEMRH-DEOSSOPVSA-N 0 0 348.380 2.658 10 5 EFBERN Cn1cc(C[N@@H+]2CCCC[C@H]2Cc2ccc(O)cc2)c([N+](=O)[O-])n1 ZINC001656470171 1102102572 /nfs/dbraw/zinc/10/25/72/1102102572.db2.gz USNWSSCJTVBNPF-HNNXBMFYSA-N 0 0 330.388 2.631 10 5 EFBERN C[C@H]1CC[C@@](CO)(NCc2cccnc2[N+](=O)[O-])c2ccccc21 ZINC001656512458 1102111582 /nfs/dbraw/zinc/11/15/82/1102111582.db2.gz XFIRACAGPWWCTL-UGSOOPFHSA-N 0 0 327.384 2.865 10 5 EFBERN C[C@H]1CC[C@](CO)(NCc2cccnc2[N+](=O)[O-])c2ccccc21 ZINC001656512457 1102111803 /nfs/dbraw/zinc/11/18/03/1102111803.db2.gz XFIRACAGPWWCTL-SCLBCKFNSA-N 0 0 327.384 2.865 10 5 EFBERN COc1ccc(C)cc1Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC001656535310 1102114945 /nfs/dbraw/zinc/11/49/45/1102114945.db2.gz VYYZSQHBQUSSMR-UHFFFAOYSA-N 0 0 331.353 2.732 10 5 EFBERN Cn1ncc(Br)c1COc1ccc([N+](=O)[O-])c(F)c1F ZINC001656569216 1102124274 /nfs/dbraw/zinc/12/42/74/1102124274.db2.gz IQBXCVZEFXBFPH-UHFFFAOYSA-N 0 0 348.103 2.948 10 5 EFBERN O=C(Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001656584595 1102128024 /nfs/dbraw/zinc/12/80/24/1102128024.db2.gz MXZUYJSAOOQNAJ-UHFFFAOYSA-N 0 0 326.268 2.736 10 5 EFBERN Cc1c(Cn2nnc3ccc(Cl)cc3c2=O)cccc1[N+](=O)[O-] ZINC001656660448 1102160625 /nfs/dbraw/zinc/16/06/25/1102160625.db2.gz VGODCMKSWKBVOW-UHFFFAOYSA-N 0 0 330.731 2.710 10 5 EFBERN CC(C)/C=C/C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000785051811 1102180205 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CC(C)C[C@H]1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001126601888 1102328458 /nfs/dbraw/zinc/32/84/58/1102328458.db2.gz MVMCTXPCAWPZOF-CYBMUJFWSA-N 0 0 343.387 2.684 10 5 EFBERN Cc1cnc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C2CC2)s1 ZINC001126608089 1102416326 /nfs/dbraw/zinc/41/63/26/1102416326.db2.gz GMDZMWQDWZAKCV-ZDUSSCGKSA-N 0 0 332.385 2.944 10 5 EFBERN CNC(=O)c1cccc(OC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000588436746 1102465553 /nfs/dbraw/zinc/46/55/53/1102465553.db2.gz ZQURDQMCZUKQEM-BENRWUELSA-N 0 0 340.335 2.963 10 5 EFBERN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001648852760 1102517889 /nfs/dbraw/zinc/51/78/89/1102517889.db2.gz JZAXGUMSUYJLGG-SECBINFHSA-N 0 0 349.416 2.562 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000588438496 1102519096 /nfs/dbraw/zinc/51/90/96/1102519096.db2.gz DEZBPHKICIBEKQ-NTMALXAHSA-N 0 0 343.314 2.875 10 5 EFBERN COc1coc(COC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000588445224 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EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)n1 ZINC000191701828 240002038 /nfs/dbraw/zinc/00/20/38/240002038.db2.gz UCPNOIYTRCPHGK-GFCCVEGCSA-N 0 0 348.334 2.594 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)n1 ZINC000191692049 240003320 /nfs/dbraw/zinc/00/33/20/240003320.db2.gz RXGAAFQRZIDNOG-XHDPSFHLSA-N 0 0 328.372 2.865 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000191719947 240003915 /nfs/dbraw/zinc/00/39/15/240003915.db2.gz VZQLOARIGOXDEB-CABCVRRESA-N 0 0 342.399 2.952 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccccc3)on2)n1 ZINC000191957438 240014656 /nfs/dbraw/zinc/01/46/56/240014656.db2.gz IHYOOMYSBCERIU-UHFFFAOYSA-N 0 0 327.300 2.719 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000191776604 240005619 /nfs/dbraw/zinc/00/56/19/240005619.db2.gz UTFPXJGEOPCXGU-CQSZACIVSA-N 0 0 346.362 2.798 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c3c2cccc3Cl)n1 ZINC000191862480 240008417 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Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000193723060 240282499 /nfs/dbraw/zinc/28/24/99/240282499.db2.gz JJJWBKXQSOLXAW-AWEZNQCLSA-N 0 0 333.388 2.797 10 5 EFBERN COc1ccccc1Nc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000196214622 241034769 /nfs/dbraw/zinc/03/47/69/241034769.db2.gz XNGMGJSKABWSER-UHFFFAOYSA-N 0 0 326.312 2.766 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCn2nc(C)cc2C)c1 ZINC000326659274 241206460 /nfs/dbraw/zinc/20/64/60/241206460.db2.gz ZSTNZPDMYZRHBK-UHFFFAOYSA-N 0 0 332.360 2.697 10 5 EFBERN Cc1cc(NCCC(=O)N(C)C)c(Br)cc1[N+](=O)[O-] ZINC000234239371 242277430 /nfs/dbraw/zinc/27/74/30/242277430.db2.gz VPRBPXZNQPOJLT-UHFFFAOYSA-N 0 0 330.182 2.556 10 5 EFBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCn2cncc2C1 ZINC000365722745 242332882 /nfs/dbraw/zinc/33/28/82/242332882.db2.gz BKXKVGKAAXZPAV-UHFFFAOYSA-N 0 0 344.374 2.534 10 5 EFBERN C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000356260289 296104357 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CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000411675521 242917078 /nfs/dbraw/zinc/91/70/78/242917078.db2.gz ZTRLGGDLLNZXSN-GXTWGEPZSA-N 0 0 347.415 2.992 10 5 EFBERN COc1ccc([C@@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000020945996 212190955 /nfs/dbraw/zinc/19/09/55/212190955.db2.gz WRABHSHYEIORSO-KRWDZBQOSA-N 0 0 341.323 2.843 10 5 EFBERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186843747 284034517 /nfs/dbraw/zinc/03/45/17/284034517.db2.gz JPSBOLSHSPDFJY-DTWKUNHWSA-N 0 0 333.266 2.546 10 5 EFBERN COC(=O)[C@@H]1CSCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412062850 243109250 /nfs/dbraw/zinc/10/92/50/243109250.db2.gz BSSWSBKQJLNRFB-NSHDSACASA-N 0 0 344.820 2.586 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000245854212 243161494 /nfs/dbraw/zinc/16/14/94/243161494.db2.gz CAFCQPVPLMXYHE-XQQFMLRXSA-N 0 0 337.445 2.626 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000412160147 243174633 /nfs/dbraw/zinc/17/46/33/243174633.db2.gz KDEWYCHBFBENBV-KWCYVHTRSA-N 0 0 334.372 2.670 10 5 EFBERN O=C([C@H]1C[C@@H]1c1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000412280825 243244240 /nfs/dbraw/zinc/24/42/40/243244240.db2.gz MPZHGOJMYAJOQY-MSOLQXFVSA-N 0 0 338.363 2.988 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000412301176 243254620 /nfs/dbraw/zinc/25/46/20/243254620.db2.gz AZHYOWZMMXHTKD-DLBZAZTESA-N 0 0 344.367 2.621 10 5 EFBERN CSc1ccc(C(=O)N2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000412441877 243315729 /nfs/dbraw/zinc/31/57/29/243315729.db2.gz GHHBBIWHEJKABT-CQSZACIVSA-N 0 0 336.413 2.958 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000412667131 243375224 /nfs/dbraw/zinc/37/52/24/243375224.db2.gz HHJCGSLNRJWSGJ-CQSZACIVSA-N 0 0 340.383 2.738 10 5 EFBERN C[C@@H]1C[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000412652932 243369145 /nfs/dbraw/zinc/36/91/45/243369145.db2.gz MIFRGFVEPBIPPX-KKZNHRDASA-N 0 0 344.314 2.740 10 5 EFBERN COc1ccc([C@@H](CO)CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000413439921 243673933 /nfs/dbraw/zinc/67/39/33/243673933.db2.gz OFBCKVHDPJJRPY-LLVKDONJSA-N 0 0 337.763 2.840 10 5 EFBERN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)COc1ccccc1C(C)C ZINC000414138109 244020304 /nfs/dbraw/zinc/02/03/04/244020304.db2.gz GVAFZTKVBDJMMW-CQSZACIVSA-N 0 0 346.383 2.628 10 5 EFBERN Cn1ccnc1[C@H](N[C@@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414337156 244094501 /nfs/dbraw/zinc/09/45/01/244094501.db2.gz KNWHNNKJXPKEPC-YSVLISHTSA-N 0 0 344.415 2.558 10 5 EFBERN O=C(N[C@@H]1COc2ccc(F)cc2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356553865 284130341 /nfs/dbraw/zinc/13/03/41/284130341.db2.gz TWFWVPROFRLYBC-ZDUSSCGKSA-N 0 0 334.278 2.607 10 5 EFBERN O=C(N[C@@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000366452184 284130467 /nfs/dbraw/zinc/13/04/67/284130467.db2.gz BSIHDFIAMODPBK-LBPRGKRZSA-N 0 0 334.278 2.607 10 5 EFBERN CCCN(CC(F)F)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416383805 244665385 /nfs/dbraw/zinc/66/53/85/244665385.db2.gz MHBVONQQEXFYML-UHFFFAOYSA-N 0 0 336.360 2.877 10 5 EFBERN Cc1cc(S(=O)(=O)NCCCC(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000416409357 244677437 /nfs/dbraw/zinc/67/74/37/244677437.db2.gz BAYDQOOESRWWAY-UHFFFAOYSA-N 0 0 340.323 2.832 10 5 EFBERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000249357524 284191079 /nfs/dbraw/zinc/19/10/79/284191079.db2.gz YXFRCOWSYHHQMV-XPKDYRNWSA-N 0 0 346.383 2.850 10 5 EFBERN O=[N+]([O-])c1ccccc1OCCSCc1cn(CC2CC2)nn1 ZINC000419385004 245397439 /nfs/dbraw/zinc/39/74/39/245397439.db2.gz GXWQVASVGJEDRK-UHFFFAOYSA-N 0 0 334.401 2.909 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(CSC[C@@H]3COCCO3)co2)cc1 ZINC000419434821 245409957 /nfs/dbraw/zinc/40/99/57/245409957.db2.gz JTXSCXZTTJFCCV-AWEZNQCLSA-N 0 0 336.369 2.898 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)o1 ZINC000078932749 217151853 /nfs/dbraw/zinc/15/18/53/217151853.db2.gz HQLXYZGTXCOINU-NSHDSACASA-N 0 0 341.327 2.568 10 5 EFBERN Cc1c(C(=O)N2CCO[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000110877938 220073700 /nfs/dbraw/zinc/07/37/00/220073700.db2.gz TZIURRCUYBNETM-ZDUSSCGKSA-N 0 0 333.369 2.573 10 5 EFBERN Cc1c(C(=O)N2CCO[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000110877941 220074120 /nfs/dbraw/zinc/07/41/20/220074120.db2.gz TZIURRCUYBNETM-CYBMUJFWSA-N 0 0 333.369 2.573 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](CC(F)(F)F)C3)nn21 ZINC000420625540 245683366 /nfs/dbraw/zinc/68/33/66/245683366.db2.gz LPSZMBJWRGWUIH-VIFPVBQESA-N 0 0 329.282 2.806 10 5 EFBERN Cc1c(NC(=O)N2CCO[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000111707210 220183364 /nfs/dbraw/zinc/18/33/64/220183364.db2.gz SFUHMHQPIHIKAH-CYBMUJFWSA-N 0 0 348.384 2.965 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](O)CC34CCC4)n2)c1 ZINC000420995622 245791766 /nfs/dbraw/zinc/79/17/66/245791766.db2.gz PJIXQHFIRASLBW-AWEZNQCLSA-N 0 0 344.371 2.524 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@]12CCOC2 ZINC000421092151 245854913 /nfs/dbraw/zinc/85/49/13/245854913.db2.gz NKHDOEOMDPXIIN-CQSZACIVSA-N 0 0 343.286 2.593 10 5 EFBERN O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000421423202 245972407 /nfs/dbraw/zinc/97/24/07/245972407.db2.gz APALFENZHSNVNY-RBSFLKMASA-N 0 0 329.400 2.680 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000421499072 245999201 /nfs/dbraw/zinc/99/92/01/245999201.db2.gz JMAKYLCKQHURSF-UHFFFAOYSA-N 0 0 347.415 2.683 10 5 EFBERN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@]2(CCOC2)O1 ZINC000421530531 246008105 /nfs/dbraw/zinc/00/81/05/246008105.db2.gz DUBRLBUSXQUEBG-KSSFIOAISA-N 0 0 348.399 2.622 10 5 EFBERN CCOCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)no1 ZINC000421552015 246014264 /nfs/dbraw/zinc/01/42/64/246014264.db2.gz IHPDFYICPIJHLW-LLVKDONJSA-N 0 0 348.359 2.622 10 5 EFBERN CCOc1ccc(C(=O)NCc2cc(C)nc(C)c2)cc1[N+](=O)[O-] ZINC000421562048 246018433 /nfs/dbraw/zinc/01/84/33/246018433.db2.gz UOQJVMREKVTKRA-UHFFFAOYSA-N 0 0 329.356 2.935 10 5 EFBERN COc1cc(C(=O)NC[C@@H]2CC23CCSCC3)ccc1[N+](=O)[O-] ZINC000421594406 246027467 /nfs/dbraw/zinc/02/74/67/246027467.db2.gz YSQTWGBIXJBHOZ-LBPRGKRZSA-N 0 0 336.413 2.867 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC12CCSCC2 ZINC000421594589 246027596 /nfs/dbraw/zinc/02/75/96/246027596.db2.gz ZTOFSBWHNOFWJV-LLVKDONJSA-N 0 0 336.413 2.867 10 5 EFBERN CC[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000421665476 246055942 /nfs/dbraw/zinc/05/59/42/246055942.db2.gz CUNBJIXTNULGCD-NWDGAFQWSA-N 0 0 329.356 2.830 10 5 EFBERN CC[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000421673011 246058411 /nfs/dbraw/zinc/05/84/11/246058411.db2.gz WGDZZYMLINSQQI-JSGCOSHPSA-N 0 0 331.372 2.692 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000421662402 246055072 /nfs/dbraw/zinc/05/50/72/246055072.db2.gz LEACLXQOHNIUMM-HUUCEWRRSA-N 0 0 347.415 2.882 10 5 EFBERN Cc1sc(C(=O)NC(C)(C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000421735559 246087687 /nfs/dbraw/zinc/08/76/87/246087687.db2.gz MTIUYPMVQYBZQR-UHFFFAOYSA-N 0 0 337.405 2.802 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1nccn1CC(C)C ZINC000421773208 246108486 /nfs/dbraw/zinc/10/84/86/246108486.db2.gz IROBXIBTTLFKGQ-UHFFFAOYSA-N 0 0 330.388 2.994 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000421782951 246114117 /nfs/dbraw/zinc/11/41/17/246114117.db2.gz DIQMCBNOIGEBFR-UHFFFAOYSA-N 0 0 328.372 2.955 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000421782728 246114583 /nfs/dbraw/zinc/11/45/83/246114583.db2.gz DMDHCWPSIQPEKL-IAGOWNOFSA-N 0 0 326.352 2.600 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1ccnn1C ZINC000421893291 246155414 /nfs/dbraw/zinc/15/54/14/246155414.db2.gz OUEYVPCZPXGBRN-LLVKDONJSA-N 0 0 331.376 2.891 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421966426 246188681 /nfs/dbraw/zinc/18/86/81/246188681.db2.gz LKSJNHMAHNOQNX-GDBMZVCRSA-N 0 0 335.404 2.861 10 5 EFBERN CC[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](CC)O1 ZINC000421984827 246201511 /nfs/dbraw/zinc/20/15/11/246201511.db2.gz RNLNQMICCBNOGQ-VXGBXAGGSA-N 0 0 342.342 2.832 10 5 EFBERN CSc1ccc(C(=O)N2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000422016056 246219453 /nfs/dbraw/zinc/21/94/53/246219453.db2.gz GIANYZXFTZYUCC-LBPRGKRZSA-N 0 0 336.413 2.836 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](O)CC12CCC2 ZINC000422019177 246219869 /nfs/dbraw/zinc/21/98/69/246219869.db2.gz JUKLSAYMCFRSFZ-AWEZNQCLSA-N 0 0 343.383 2.525 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nccn1C(F)F ZINC000264279848 246283727 /nfs/dbraw/zinc/28/37/27/246283727.db2.gz QDVNOVKDJSONTA-SECBINFHSA-N 0 0 345.327 2.862 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000452581753 296227089 /nfs/dbraw/zinc/22/70/89/296227089.db2.gz DEUZTKNGTZKSCH-FVQBIDKESA-N 0 0 336.363 2.890 10 5 EFBERN Cc1nn(Cc2ccc(C(=O)N[C@H]3CC34CC4)cc2)c(C)c1[N+](=O)[O-] ZINC000424990046 246922764 /nfs/dbraw/zinc/92/27/64/246922764.db2.gz ROMXULVVKHAOEG-HNNXBMFYSA-N 0 0 340.383 2.739 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC(CC(F)F)C1 ZINC000425094999 246967390 /nfs/dbraw/zinc/96/73/90/246967390.db2.gz VTMOMTHUIDDAML-UHFFFAOYSA-N 0 0 325.315 2.896 10 5 EFBERN Cc1cc(NC[C@H]2CCN(C)C(=O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000425263615 247019423 /nfs/dbraw/zinc/01/94/23/247019423.db2.gz CDGDVFVNDZLYNF-LBPRGKRZSA-N 0 0 328.372 2.732 10 5 EFBERN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000425407401 247072691 /nfs/dbraw/zinc/07/26/91/247072691.db2.gz PBFLGXQBLBTRNK-GFCCVEGCSA-N 0 0 329.194 2.968 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCOCC2(CC2)C1 ZINC000425452249 247091271 /nfs/dbraw/zinc/09/12/71/247091271.db2.gz CNONYRKWJNLPKZ-UHFFFAOYSA-N 0 0 341.205 2.970 10 5 EFBERN CCCN(C(=O)c1cc2c(cn1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000425567719 247134569 /nfs/dbraw/zinc/13/45/69/247134569.db2.gz ICCKTHYISXOBLU-UHFFFAOYSA-N 0 0 343.339 2.818 10 5 EFBERN O=C(N[C@H]1CC2CCC1CC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425918051 247212350 /nfs/dbraw/zinc/21/23/50/247212350.db2.gz DTAKQRYCTKKLNY-PIMMBPRGSA-N 0 0 347.419 2.717 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCC(F)(F)C1 ZINC000426005460 247226204 /nfs/dbraw/zinc/22/62/04/247226204.db2.gz CJSSANCYSUPBQL-NSHDSACASA-N 0 0 342.346 2.884 10 5 EFBERN COc1ccccc1[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426785300 247299813 /nfs/dbraw/zinc/29/98/13/247299813.db2.gz WRATYGMEQMABKZ-INIZCTEOSA-N 0 0 346.339 2.528 10 5 EFBERN O=C(NC1(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000426337128 247262642 /nfs/dbraw/zinc/26/26/42/247262642.db2.gz YRCHQYZSIHRLKH-UHFFFAOYSA-N 0 0 331.353 2.557 10 5 EFBERN COC(=O)c1ncccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000427326162 247338352 /nfs/dbraw/zinc/33/83/52/247338352.db2.gz CDAOTWVVGHFDFG-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN COC(=O)c1cccc(F)c1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427339041 247339151 /nfs/dbraw/zinc/33/91/51/247339151.db2.gz SJRWMCDMZPMMNI-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)n1 ZINC000427333467 247339713 /nfs/dbraw/zinc/33/97/13/247339713.db2.gz ZQGITTYBXVYKHC-BDAKNGLRSA-N 0 0 334.298 2.614 10 5 EFBERN CC(C)[C@](C)(CO)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427366533 247343189 /nfs/dbraw/zinc/34/31/89/247343189.db2.gz NUMTXNGSLHDSKU-AWEZNQCLSA-N 0 0 346.836 2.864 10 5 EFBERN COc1ccccc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000426822325 247302590 /nfs/dbraw/zinc/30/25/90/247302590.db2.gz BFXNFUCGBXBFFQ-MRXNPFEDSA-N 0 0 330.340 2.827 10 5 EFBERN COc1ccccc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000426822324 247303295 /nfs/dbraw/zinc/30/32/95/247303295.db2.gz BFXNFUCGBXBFFQ-INIZCTEOSA-N 0 0 330.340 2.827 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cc(C)ccc2OC)n1 ZINC000427108871 247317919 /nfs/dbraw/zinc/31/79/19/247317919.db2.gz SDLKSPPIGHEWLJ-LLVKDONJSA-N 0 0 332.360 2.619 10 5 EFBERN CCCCCn1nc(C)cc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427359917 247342428 /nfs/dbraw/zinc/34/24/28/247342428.db2.gz QDQAVYLAFPBFLZ-UHFFFAOYSA-N 0 0 334.380 2.759 10 5 EFBERN CC(C)[C@@](C)(CO)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000427365239 247343747 /nfs/dbraw/zinc/34/37/47/247343747.db2.gz GBEAMWGZSYYJCN-HXUWFJFHSA-N 0 0 338.407 2.818 10 5 EFBERN Cc1cnc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000427503877 247359174 /nfs/dbraw/zinc/35/91/74/247359174.db2.gz GXZVEEWANWRATJ-MRXNPFEDSA-N 0 0 345.380 2.892 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C/C(C)=C\c2ccccc2)n1 ZINC000427530761 247361647 /nfs/dbraw/zinc/36/16/47/247361647.db2.gz LDEMWGIMELSYNC-RAXLEYEMSA-N 0 0 328.372 2.987 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCOc3ccc(F)cc32)n1 ZINC000427605454 247369185 /nfs/dbraw/zinc/36/91/85/247369185.db2.gz ZKSNYKQLMIFCOO-LBPRGKRZSA-N 0 0 348.334 2.594 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)n1 ZINC000427620477 247372888 /nfs/dbraw/zinc/37/28/88/247372888.db2.gz HPJITVMZQXXYKI-UHFFFAOYSA-N 0 0 340.343 2.762 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC(C)=C[C@@H](C)C1 ZINC000430488405 247787825 /nfs/dbraw/zinc/78/78/25/247787825.db2.gz XYVOAFVBNNTJME-SNVBAGLBSA-N 0 0 331.372 2.575 10 5 EFBERN CCOC(=O)c1cc(C(=O)N[C@H]2CC23CCCC3)cc([N+](=O)[O-])c1 ZINC000430211849 247750225 /nfs/dbraw/zinc/75/02/25/247750225.db2.gz BGPDOUSXYWEHQV-AWEZNQCLSA-N 0 0 332.356 2.834 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3ccc(F)c(F)c3C2)n1 ZINC000342693353 284572952 /nfs/dbraw/zinc/57/29/52/284572952.db2.gz UKISGQBUJPQBII-UHFFFAOYSA-N 0 0 349.293 2.617 10 5 EFBERN COc1cc(CN[C@](C)(c2noc(C)n2)C2CC2)ccc1[N+](=O)[O-] ZINC000433298898 248040600 /nfs/dbraw/zinc/04/06/00/248040600.db2.gz AJLKDXOSXRFTCV-INIZCTEOSA-N 0 0 332.360 2.710 10 5 EFBERN Cc1nc([C@@](C)(NCCOc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000433288419 248037175 /nfs/dbraw/zinc/03/71/75/248037175.db2.gz NSSYOXRVLBBOCU-INIZCTEOSA-N 0 0 332.360 2.580 10 5 EFBERN CCOc1ccc(C(=O)N(C)C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000434254573 248135995 /nfs/dbraw/zinc/13/59/95/248135995.db2.gz DGWYKAMOLXVLPC-UHFFFAOYSA-N 0 0 336.388 2.617 10 5 EFBERN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000435275949 248224067 /nfs/dbraw/zinc/22/40/67/248224067.db2.gz BSFFJRYKTYHZRP-LLVKDONJSA-N 0 0 343.314 2.590 10 5 EFBERN CCC(CC)c1cc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)on1 ZINC000266235989 248193891 /nfs/dbraw/zinc/19/38/91/248193891.db2.gz KNFKBZKHTDVRDW-UHFFFAOYSA-N 0 0 333.348 2.592 10 5 EFBERN O=C1C[C@@H](c2cccc(Nc3ncc(Cl)cc3[N+](=O)[O-])c2)CN1 ZINC000434951123 248199229 /nfs/dbraw/zinc/19/92/29/248199229.db2.gz OTOQZNWJYFQHTA-SNVBAGLBSA-N 0 0 332.747 2.990 10 5 EFBERN CCO[C@@H](C)c1noc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000434954721 248199534 /nfs/dbraw/zinc/19/95/34/248199534.db2.gz KACITGBYDYVAIB-QMMMGPOBSA-N 0 0 341.755 2.760 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187744296 296263218 /nfs/dbraw/zinc/26/32/18/296263218.db2.gz UPLYISRASTUBRK-JSGCOSHPSA-N 0 0 332.381 2.504 10 5 EFBERN CCN(c1cccnc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000435648308 249395301 /nfs/dbraw/zinc/39/53/01/249395301.db2.gz QEUNCIMWUGAEIH-UHFFFAOYSA-N 0 0 335.385 2.822 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000435596786 249383698 /nfs/dbraw/zinc/38/36/98/249383698.db2.gz ZJIYKJAVQHAZOY-PWSUYJOCSA-N 0 0 336.344 2.525 10 5 EFBERN COCC[C@@H]1CCCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000436007060 249451704 /nfs/dbraw/zinc/45/17/04/249451704.db2.gz WFQRHPAEMOWJIC-ZDUSSCGKSA-N 0 0 336.388 2.882 10 5 EFBERN COc1cccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000436020058 249452861 /nfs/dbraw/zinc/45/28/61/249452861.db2.gz DWBMOMYZGIPNPO-OAHLLOKOSA-N 0 0 327.340 2.880 10 5 EFBERN O=[N+]([O-])c1cc(CNCc2ncn(Cc3cccc(F)c3)n2)cs1 ZINC000436411183 249513753 /nfs/dbraw/zinc/51/37/53/249513753.db2.gz KKOALOUPLFXOBJ-UHFFFAOYSA-N 0 0 347.375 2.725 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438141978 249746036 /nfs/dbraw/zinc/74/60/36/249746036.db2.gz LNXHPIMZYQLGGF-ILMHXZGMSA-N 0 0 341.367 2.981 10 5 EFBERN O=C(c1cccc2c1CC(=O)CC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361460107 284707116 /nfs/dbraw/zinc/70/71/16/284707116.db2.gz RGARVKJDQBUGSD-UHFFFAOYSA-N 0 0 336.347 2.856 10 5 EFBERN CC[C@H](NC(=O)CCc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090466348 217932065 /nfs/dbraw/zinc/93/20/65/217932065.db2.gz QAEUVKCFBROUNH-INIZCTEOSA-N 0 0 330.388 2.837 10 5 EFBERN CN(C(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000091847329 218076256 /nfs/dbraw/zinc/07/62/56/218076256.db2.gz FXBRMSRCGDDUPL-LLVKDONJSA-N 0 0 345.321 2.832 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)no1 ZINC000441710367 250049578 /nfs/dbraw/zinc/04/95/78/250049578.db2.gz XCJLJIIRSZVHKN-UHFFFAOYSA-N 0 0 344.327 2.952 10 5 EFBERN CC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000442805457 250122345 /nfs/dbraw/zinc/12/23/45/250122345.db2.gz AKCZDKPSRFTDAQ-VIFPVBQESA-N 0 0 340.286 2.800 10 5 EFBERN C[C@@H](O)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000092969678 218183648 /nfs/dbraw/zinc/18/36/48/218183648.db2.gz YWNVSXZLCGZMFE-SNVBAGLBSA-N 0 0 343.221 2.950 10 5 EFBERN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC(CO)C1 ZINC000442885921 250136411 /nfs/dbraw/zinc/13/64/11/250136411.db2.gz YUNXBXYRDDACJJ-UHFFFAOYSA-N 0 0 344.392 2.810 10 5 EFBERN CN(CCCO)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000443002676 250150726 /nfs/dbraw/zinc/15/07/26/250150726.db2.gz RVCWSZCGFFBVNS-UHFFFAOYSA-N 0 0 343.383 2.661 10 5 EFBERN COc1cccc(C[C@@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000443455415 250196611 /nfs/dbraw/zinc/19/66/11/250196611.db2.gz PLFLNDGMOAVCKJ-LLVKDONJSA-N 0 0 329.356 2.745 10 5 EFBERN Cn1cc(OCC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cn1 ZINC000443536152 250204954 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CC[C@@]1(O)CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445217948 250394773 /nfs/dbraw/zinc/39/47/73/250394773.db2.gz VFBZVPKNLHROQF-HXUWFJFHSA-N 0 0 336.391 2.668 10 5 EFBERN C/C=C/C[C@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445214058 250395102 /nfs/dbraw/zinc/39/51/02/250395102.db2.gz OQUSNFSNGMLNLK-YWVDXFKGSA-N 0 0 336.391 2.738 10 5 EFBERN O=C(NCc1cscn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445198390 250395204 /nfs/dbraw/zinc/39/52/04/250395204.db2.gz VFBZTSTUABDONR-UHFFFAOYSA-N 0 0 348.203 2.805 10 5 EFBERN CC[C@@H](O)CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445010001 250372890 /nfs/dbraw/zinc/37/28/90/250372890.db2.gz NRLIIYYUKJKHKC-CYBMUJFWSA-N 0 0 338.407 2.962 10 5 EFBERN CC(C)[C@@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445020461 250374963 /nfs/dbraw/zinc/37/49/63/250374963.db2.gz OMYIOGUFOYURPP-FQEVSTJZSA-N 0 0 338.407 2.818 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccncc1OC ZINC000446032582 250454017 /nfs/dbraw/zinc/45/40/17/250454017.db2.gz 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ZINC000095397625 218330117 /nfs/dbraw/zinc/33/01/17/218330117.db2.gz WYPNXOKNCGJIMI-UHFFFAOYSA-N 0 0 335.335 2.558 10 5 EFBERN Cc1cccc(NC(=O)CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000095405122 218340212 /nfs/dbraw/zinc/34/02/12/218340212.db2.gz PCFYPCIWCJOSHW-ZDUSSCGKSA-N 0 0 328.372 2.930 10 5 EFBERN Cc1cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000095425737 218367749 /nfs/dbraw/zinc/36/77/49/218367749.db2.gz BPOZKURKYTVLFG-UHFFFAOYSA-N 0 0 343.383 2.763 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccccc2F)on1 ZINC000448491921 250707044 /nfs/dbraw/zinc/70/70/44/250707044.db2.gz JWSCRGFDDICNBU-UHFFFAOYSA-N 0 0 341.298 2.992 10 5 EFBERN Cc1ccsc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095433751 218376964 /nfs/dbraw/zinc/37/69/64/218376964.db2.gz IYSWIHMYQQIJSM-UHFFFAOYSA-N 0 0 326.399 2.584 10 5 EFBERN CC[C@@H](C)NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008209713 210912797 /nfs/dbraw/zinc/91/27/97/210912797.db2.gz XTWQTBSRBQCABF-SECBINFHSA-N 0 0 336.373 2.652 10 5 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C[C@@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000452573800 251911680 /nfs/dbraw/zinc/91/16/80/251911680.db2.gz DVSNFQAKFJACCF-OAHLLOKOSA-N 0 0 342.392 2.643 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCOC1(C)C ZINC000452473736 251890488 /nfs/dbraw/zinc/89/04/88/251890488.db2.gz FHGBGMRXVMZTKA-NOZJJQNGSA-N 0 0 342.779 2.699 10 5 EFBERN CC[C@H](C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)OC ZINC000452814487 251976790 /nfs/dbraw/zinc/97/67/90/251976790.db2.gz QEZSPRTWCUFXHN-XPTSAGLGSA-N 0 0 330.331 2.593 10 5 EFBERN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000452888164 251995393 /nfs/dbraw/zinc/99/53/93/251995393.db2.gz SMFZYPWGWBIBGD-INIZCTEOSA-N 0 0 342.399 2.814 10 5 EFBERN CCn1c(N(C)Cc2ccccc2[N+](=O)[O-])nnc1[C@]1(C)CCCO1 ZINC000453451852 252040582 /nfs/dbraw/zinc/04/05/82/252040582.db2.gz PMUAOFNYVWIRSS-KRWDZBQOSA-N 0 0 345.403 2.868 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000268617690 252072019 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O=C1Nc2ccccc2[C@@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000372254161 296401898 /nfs/dbraw/zinc/40/18/98/296401898.db2.gz JZWXELFOHNDLDS-INIZCTEOSA-N 0 0 344.758 2.743 10 5 EFBERN CSc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000116114442 220930119 /nfs/dbraw/zinc/93/01/19/220930119.db2.gz OSZIBKABIPCGMS-GFCCVEGCSA-N 0 0 346.412 2.680 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000455414527 255614324 /nfs/dbraw/zinc/61/43/24/255614324.db2.gz MZZJXYPCRVNZSG-WDEREUQCSA-N 0 0 348.403 2.668 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000456407182 255640711 /nfs/dbraw/zinc/64/07/11/255640711.db2.gz QSHSWRBXQBTACG-BPLDGKMQSA-N 0 0 348.399 2.617 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCSC[C@H]1C1CC1 ZINC000456203537 255629273 /nfs/dbraw/zinc/62/92/73/255629273.db2.gz NSYYGKKJRMRNAQ-AWEZNQCLSA-N 0 0 342.367 2.770 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1cnn(C)c1 ZINC000456436652 255642545 /nfs/dbraw/zinc/64/25/45/255642545.db2.gz LVDXUSGYRSFKRL-JTQLQIEISA-N 0 0 336.779 2.651 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1cnn(C)c1 ZINC000456436656 255642658 /nfs/dbraw/zinc/64/26/58/255642658.db2.gz LVDXUSGYRSFKRL-SNVBAGLBSA-N 0 0 336.779 2.651 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@]2(CCOC2)C1 ZINC000456699028 255656011 /nfs/dbraw/zinc/65/60/11/255656011.db2.gz SDFRDVXMABBQJV-QGZVFWFLSA-N 0 0 329.356 2.719 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000456909283 255666385 /nfs/dbraw/zinc/66/63/85/255666385.db2.gz RXNYHWWVPDTPAY-HOTGVXAUSA-N 0 0 343.427 2.974 10 5 EFBERN CC[C@@H](NC(=O)[C@@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000457616923 255705109 /nfs/dbraw/zinc/70/51/09/255705109.db2.gz AYOYBLFIOCBCBG-BLLLJJGKSA-N 0 0 330.388 2.774 10 5 EFBERN CC(C)(NC(=O)c1cc2c([nH]1)CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000457616941 255705179 /nfs/dbraw/zinc/70/51/79/255705179.db2.gz AYXWZDQCNQXAGO-UHFFFAOYSA-N 0 0 329.356 2.661 10 5 EFBERN COc1cccc(N2CCC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000117179897 221035098 /nfs/dbraw/zinc/03/50/98/221035098.db2.gz BXVMAVOXWLDDDI-GFCCVEGCSA-N 0 0 345.355 2.595 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(N2CCC2)nc1 ZINC000459969414 255946922 /nfs/dbraw/zinc/94/69/22/255946922.db2.gz APJIOBQSYNOCGS-LBPRGKRZSA-N 0 0 338.367 2.791 10 5 EFBERN C[C@H](Oc1ccccn1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000459988848 255947539 /nfs/dbraw/zinc/94/75/39/255947539.db2.gz OTIFKLDCVUBPRP-RYUDHWBXSA-N 0 0 327.340 2.735 10 5 EFBERN COC(=O)CCCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117744575 221085692 /nfs/dbraw/zinc/08/56/92/221085692.db2.gz NYQJETWXQDXSEA-UHFFFAOYSA-N 0 0 342.779 2.640 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCCC1(C)C ZINC000467133983 256009283 /nfs/dbraw/zinc/00/92/83/256009283.db2.gz PWJISTQAWFICKE-CQSZACIVSA-N 0 0 342.417 2.851 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000119444823 221321486 /nfs/dbraw/zinc/32/14/86/221321486.db2.gz USCQTNFIZGZZOQ-LLVKDONJSA-N 0 0 335.360 2.790 10 5 EFBERN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000119418264 221316066 /nfs/dbraw/zinc/31/60/66/221316066.db2.gz QJQUEKSRFLFDSV-CJNGLKHVSA-N 0 0 335.404 2.784 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CC[C@@H]2Sc3ccccc3NC2=O)c1=O ZINC000521395211 257947407 /nfs/dbraw/zinc/94/74/07/257947407.db2.gz ZVAWMXSAAJJRDE-AWEZNQCLSA-N 0 0 345.380 2.568 10 5 EFBERN Cc1nc(NCCC(=O)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000095414896 258066908 /nfs/dbraw/zinc/06/69/08/258066908.db2.gz MFUQTQKSLRGIER-UHFFFAOYSA-N 0 0 328.372 2.759 10 5 EFBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCCO1 ZINC000187833016 533314282 /nfs/dbraw/zinc/31/42/82/533314282.db2.gz CHQDKOOZVVXUGV-JQWIXIFHSA-N 0 0 341.795 2.686 10 5 EFBERN COC(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000171462797 533388287 /nfs/dbraw/zinc/38/82/87/533388287.db2.gz SIRALHKHPHWWEA-ZDUSSCGKSA-N 0 0 348.399 2.918 10 5 EFBERN COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000159557417 533352768 /nfs/dbraw/zinc/35/27/68/533352768.db2.gz MSBKDWHNAFJGNF-UHFFFAOYSA-N 0 0 345.149 2.639 10 5 EFBERN C[C@@H](C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1)c1cccnc1 ZINC000183467368 533358868 /nfs/dbraw/zinc/35/88/68/533358868.db2.gz SVVNRMJTGICOKB-GFCCVEGCSA-N 0 0 329.356 2.903 10 5 EFBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000356308203 533382194 /nfs/dbraw/zinc/38/21/94/533382194.db2.gz SOUZXIMBFIPQBO-GQPJMJRUSA-N 0 0 330.384 2.678 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000363817567 533404916 /nfs/dbraw/zinc/40/49/16/533404916.db2.gz JVWBFGGXLYXBBN-LSALWYQZSA-N 0 0 330.384 2.883 10 5 EFBERN COC(=O)CCc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000159205258 533463082 /nfs/dbraw/zinc/46/30/82/533463082.db2.gz PLKUDDDRETUTEL-UHFFFAOYSA-N 0 0 349.368 2.718 10 5 EFBERN CO[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000187797867 533468740 /nfs/dbraw/zinc/46/87/40/533468740.db2.gz IGNXJDMGPPVJBJ-CXAGYDPISA-N 0 0 347.415 2.692 10 5 EFBERN COc1cc(C(=O)N(C)CCc2ncc(C)s2)cc([N+](=O)[O-])c1C ZINC000189759849 533511284 /nfs/dbraw/zinc/51/12/84/533511284.db2.gz WOCBZUSNTUMOCG-UHFFFAOYSA-N 0 0 349.412 2.991 10 5 EFBERN C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccc(F)c1 ZINC000174463473 533599750 /nfs/dbraw/zinc/59/97/50/533599750.db2.gz PLZYZWKJZBGVMI-ZBEGNZNMSA-N 0 0 332.335 2.540 10 5 EFBERN COc1cc(C(=O)Nc2ncnc3[nH]c(C)c(C)c32)ccc1[N+](=O)[O-] ZINC000183593192 533559693 /nfs/dbraw/zinc/55/96/93/533559693.db2.gz MPGAWRQQQRWIFW-UHFFFAOYSA-N 0 0 341.327 2.744 10 5 EFBERN COC[C@H]1CCCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000457035963 285444738 /nfs/dbraw/zinc/44/47/38/285444738.db2.gz KLSFNGHRNOAYJV-NSHDSACASA-N 0 0 340.351 2.631 10 5 EFBERN O=C(Nc1cccnc1N1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000051989752 132182647 /nfs/dbraw/zinc/18/26/47/132182647.db2.gz LUHPEFLLLYHXSI-UHFFFAOYSA-N 0 0 344.396 2.795 10 5 EFBERN CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035894408 132390700 /nfs/dbraw/zinc/39/07/00/132390700.db2.gz SWMPHCLIAMGCLL-NVXWUHKLSA-N 0 0 331.416 2.898 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036532631 132392272 /nfs/dbraw/zinc/39/22/72/132392272.db2.gz IJTDYSPHKVDMFO-UHFFFAOYSA-N 0 0 337.376 2.661 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000360133267 292017377 /nfs/dbraw/zinc/01/73/77/292017377.db2.gz IXXVZENWDGNZLP-KBPBESRZSA-N 0 0 334.372 2.634 10 5 EFBERN C[C@H](c1ccccc1)N(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCC1 ZINC000425579632 299639401 /nfs/dbraw/zinc/63/94/01/299639401.db2.gz HZAKGFHYHZCIQM-CYBMUJFWSA-N 0 0 343.387 2.719 10 5 EFBERN CO[C@@H](C)CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000338699874 285554514 /nfs/dbraw/zinc/55/45/14/285554514.db2.gz IJSKTALTPDLTFC-KGLIPLIRSA-N 0 0 349.431 2.986 10 5 EFBERN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1csc([N+](=O)[O-])c1 ZINC000354024470 146615503 /nfs/dbraw/zinc/61/55/03/146615503.db2.gz PJJPYHGWKDUPTO-HNNXBMFYSA-N 0 0 331.397 2.638 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@@H](O)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000354138691 146642721 /nfs/dbraw/zinc/64/27/21/146642721.db2.gz QHTZOLJRVHGFLQ-LSDHHAIUSA-N 0 0 335.404 2.848 10 5 EFBERN O=[N+]([O-])c1cccnc1N1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069570032 296517170 /nfs/dbraw/zinc/51/71/70/296517170.db2.gz SCSDOMBNDNLOPG-UHFFFAOYSA-N 0 0 338.371 2.583 10 5 EFBERN Cc1csc([C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195395113 141380364 /nfs/dbraw/zinc/38/03/64/141380364.db2.gz ZZGGPVJMCAHPHT-OAHLLOKOSA-N 0 0 349.412 2.812 10 5 EFBERN C[C@@H](O)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000304268340 141444010 /nfs/dbraw/zinc/44/40/10/141444010.db2.gz VZVLHKSPZGBUNY-GFCCVEGCSA-N 0 0 329.356 2.839 10 5 EFBERN CCOc1cc(C(=O)NC2(C(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000337241580 141555901 /nfs/dbraw/zinc/55/59/01/141555901.db2.gz FSQQRSWCJLIMPG-UHFFFAOYSA-N 0 0 330.287 2.530 10 5 EFBERN CCc1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)nc1 ZINC000338554305 141641422 /nfs/dbraw/zinc/64/14/22/141641422.db2.gz JGISLQYEQBKBIB-UHFFFAOYSA-N 0 0 338.161 2.525 10 5 EFBERN CCc1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)nc1 ZINC000338556935 141641868 /nfs/dbraw/zinc/64/18/68/141641868.db2.gz RBHOXTAPUYMNKG-UHFFFAOYSA-N 0 0 338.161 2.525 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC1(CCO)CCCCC1 ZINC000338681911 141661369 /nfs/dbraw/zinc/66/13/69/141661369.db2.gz RSPYLGZVVZJTEU-UHFFFAOYSA-N 0 0 335.404 2.522 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)c1ccsc1 ZINC000354328131 146688486 /nfs/dbraw/zinc/68/84/86/146688486.db2.gz IPAWGRPWLFSBRY-CYBMUJFWSA-N 0 0 340.788 2.702 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCOC[C@H]2CC2CCC2)s1 ZINC000338830250 141682717 /nfs/dbraw/zinc/68/27/17/141682717.db2.gz OOAGNGKXEUKOHW-LLVKDONJSA-N 0 0 334.401 2.995 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@H]1n1cccn1 ZINC000338836628 141683599 /nfs/dbraw/zinc/68/35/99/141683599.db2.gz BEXOIMQKKTVLNZ-APHBMKBZSA-N 0 0 332.360 2.631 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)COc1ccc(C)cc1 ZINC000340162378 141752714 /nfs/dbraw/zinc/75/27/14/141752714.db2.gz CNJLFULJFMRCAI-OAHLLOKOSA-N 0 0 345.351 2.925 10 5 EFBERN NC(=O)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000340223958 141763967 /nfs/dbraw/zinc/76/39/67/141763967.db2.gz UKXSQKPRIYGHAD-GFCCVEGCSA-N 0 0 329.331 2.713 10 5 EFBERN COCCn1ccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000341785992 141867266 /nfs/dbraw/zinc/86/72/66/141867266.db2.gz OPNIAMQUSNEYFE-UHFFFAOYSA-N 0 0 346.387 2.988 10 5 EFBERN COc1cccc(CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000341853559 141878084 /nfs/dbraw/zinc/87/80/84/141878084.db2.gz OMVIQKJISUJQHJ-GFCCVEGCSA-N 0 0 344.371 2.601 10 5 EFBERN C[C@H](NC(=O)N[C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000341912055 141888318 /nfs/dbraw/zinc/88/83/18/141888318.db2.gz BAHABKXBYOYYRD-SWLSCSKDSA-N 0 0 329.356 2.689 10 5 EFBERN C[C@H](NC(=O)N[C@H](CO)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000341927871 141890705 /nfs/dbraw/zinc/89/07/05/141890705.db2.gz XDDRAYCUVVVNBX-XHDPSFHLSA-N 0 0 347.346 2.828 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2ncc3ccccc3c2=O)n1 ZINC000343420954 141994563 /nfs/dbraw/zinc/99/45/63/141994563.db2.gz BUBIMCHWBSOKKE-LBPRGKRZSA-N 0 0 339.355 2.509 10 5 EFBERN O=C(NC1CCCCC1)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344427518 142015076 /nfs/dbraw/zinc/01/50/76/142015076.db2.gz FOMGHLLKXZNEFD-UHFFFAOYSA-N 0 0 332.404 2.655 10 5 EFBERN O=C(NC1CCCCC1)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344431669 142015697 /nfs/dbraw/zinc/01/56/97/142015697.db2.gz KPDPZHNSSYTPJT-UHFFFAOYSA-N 0 0 347.419 2.591 10 5 EFBERN O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cn1 ZINC000344432293 142015799 /nfs/dbraw/zinc/01/57/99/142015799.db2.gz HNWSUSMPZZYTQM-UHFFFAOYSA-N 0 0 328.372 2.608 10 5 EFBERN O=C(Nc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344439010 142017142 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C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(C2CC2)n1 ZINC000344760093 142074034 /nfs/dbraw/zinc/07/40/34/142074034.db2.gz NLYVCCVTHCONTI-VIFPVBQESA-N 0 0 348.384 2.652 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000344949181 142102280 /nfs/dbraw/zinc/10/22/80/142102280.db2.gz UYSSBUUWAZTJQZ-SECBINFHSA-N 0 0 345.302 2.744 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cn2cccn2)no1 ZINC000345980787 142127519 /nfs/dbraw/zinc/12/75/19/142127519.db2.gz FRUMBRROFXLXKI-CYBMUJFWSA-N 0 0 327.344 2.959 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(C)c(OC)c3)no2)n1 ZINC000345981645 142128026 /nfs/dbraw/zinc/12/80/26/142128026.db2.gz IHWLWKLCIONMMN-UHFFFAOYSA-N 0 0 329.316 2.845 10 5 EFBERN CCCc1[nH]nc(C(=O)N2CCc3cc(F)c(F)cc32)c1[N+](=O)[O-] ZINC000346136819 142152918 /nfs/dbraw/zinc/15/29/18/142152918.db2.gz DWMHLFZKOIUCPB-UHFFFAOYSA-N 0 0 336.298 2.752 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000346352573 142193457 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2.683 10 5 EFBERN C[C@]1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCS1 ZINC000342518132 145141717 /nfs/dbraw/zinc/14/17/17/145141717.db2.gz WGVRNPPNYPCARU-CQSZACIVSA-N 0 0 330.356 2.817 10 5 EFBERN CO[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000342520852 145142194 /nfs/dbraw/zinc/14/21/94/145142194.db2.gz QFPJCEQADYVBCS-CYBMUJFWSA-N 0 0 330.331 2.593 10 5 EFBERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2N)cc1[N+](=O)[O-] ZINC000342527839 145143095 /nfs/dbraw/zinc/14/30/95/145143095.db2.gz ZDRAZVMPYUZMAY-LLVKDONJSA-N 0 0 335.385 2.525 10 5 EFBERN Cc1sc(S(=O)(=O)N(C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000342529229 145143502 /nfs/dbraw/zinc/14/35/02/145143502.db2.gz NZKFIUAIEBCJDU-NSHDSACASA-N 0 0 330.431 2.942 10 5 EFBERN Cc1cc(=NC(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1[C@H](C)C1CC1 ZINC000342647928 145165262 /nfs/dbraw/zinc/16/52/62/145165262.db2.gz HBCLYQQLFHEFCZ-GFCCVEGCSA-N 0 0 328.372 2.674 10 5 EFBERN COCc1cnc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000342662768 145168372 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Cc1ccc(NC(=O)C(=O)N[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000342829880 145203550 /nfs/dbraw/zinc/20/35/50/145203550.db2.gz LZWVPIRWPGBUPG-YIZWMMSDSA-N 0 0 331.372 2.537 10 5 EFBERN O=C(NC[C@@H](CO)c1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342935315 145224060 /nfs/dbraw/zinc/22/40/60/145224060.db2.gz RDTLLXKOVYYBJO-ZDUSSCGKSA-N 0 0 339.351 2.582 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCN(c3cccnc3)C2=O)n1 ZINC000343651624 145261994 /nfs/dbraw/zinc/26/19/94/145261994.db2.gz KSFHMJFGYZBASD-AWEZNQCLSA-N 0 0 341.371 2.609 10 5 EFBERN CCS(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000343657888 145264300 /nfs/dbraw/zinc/26/43/00/145264300.db2.gz YDAIBWFMCYLDTO-LLVKDONJSA-N 0 0 335.385 2.957 10 5 EFBERN COc1cc(OCC(=O)N(C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000343800621 145297178 /nfs/dbraw/zinc/29/71/78/145297178.db2.gz SFWKGPKFOSHMOQ-CYBMUJFWSA-N 0 0 334.372 2.797 10 5 EFBERN COc1cc(NCC(=O)N(C)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000343852114 145308761 /nfs/dbraw/zinc/30/87/61/145308761.db2.gz MCUIJODTDRJJFU-UHFFFAOYSA-N 0 0 339.367 2.946 10 5 EFBERN COc1cc(NCCCN2CCCCCC2=O)c([N+](=O)[O-])cc1F ZINC000343863589 145311373 /nfs/dbraw/zinc/31/13/73/145311373.db2.gz YYBMXHPBTBEFGR-UHFFFAOYSA-N 0 0 339.367 2.947 10 5 EFBERN O=C(c1cc(NCC[C@@H]2CCOC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000343865307 145312520 /nfs/dbraw/zinc/31/25/20/145312520.db2.gz IMXHECTYEKRAJZ-CYBMUJFWSA-N 0 0 333.388 2.669 10 5 EFBERN O=C(NCc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343957586 145333221 /nfs/dbraw/zinc/33/32/21/145333221.db2.gz YEOXKMSTNCYMIY-UHFFFAOYSA-N 0 0 342.124 2.755 10 5 EFBERN CCOc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000344014796 145345763 /nfs/dbraw/zinc/34/57/63/145345763.db2.gz CWYJZUUCCFFASY-UHFFFAOYSA-N 0 0 329.356 2.969 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000344017558 145346767 /nfs/dbraw/zinc/34/67/67/145346767.db2.gz UZIOZIWZCSCVQS-ZDUSSCGKSA-N 0 0 345.359 2.852 10 5 EFBERN CC(C)(C)n1cnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000344077625 145362799 /nfs/dbraw/zinc/36/27/99/145362799.db2.gz WMLZFTRONLJMCY-UHFFFAOYSA-N 0 0 337.767 2.776 10 5 EFBERN CC(C)(COCC(F)F)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000344083226 145363702 /nfs/dbraw/zinc/36/37/02/145363702.db2.gz YAAAMVFMOFOCTC-UHFFFAOYSA-N 0 0 330.331 2.561 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)NCC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000344123618 145373743 /nfs/dbraw/zinc/37/37/43/145373743.db2.gz VFCUKWSODAVVPK-BXKDBHETSA-N 0 0 349.309 2.577 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000344123621 145373878 /nfs/dbraw/zinc/37/38/78/145373878.db2.gz VFCUKWSODAVVPK-JOYOIKCWSA-N 0 0 349.309 2.577 10 5 EFBERN COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000344198987 145390822 /nfs/dbraw/zinc/39/08/22/145390822.db2.gz DCXRMVGFNNTYPC-GJZGRUSLSA-N 0 0 327.340 2.765 10 5 EFBERN CN(C(=O)c1ccn(C2CCCCC2)n1)c1ccc([N+](=O)[O-])nc1 ZINC000344228239 145397007 /nfs/dbraw/zinc/39/70/07/145397007.db2.gz UXUHNHSWFOGWTB-UHFFFAOYSA-N 0 0 329.360 2.968 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(CO)c1ccc(O)cc1 ZINC000344249276 145403247 /nfs/dbraw/zinc/40/32/47/145403247.db2.gz KMNBYCSYCLYZJO-QGZVFWFLSA-N 0 0 345.355 2.638 10 5 EFBERN CCOC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000344343030 145426514 /nfs/dbraw/zinc/42/65/14/145426514.db2.gz PKDWAQAYGNLFMA-UHFFFAOYSA-N 0 0 335.341 2.789 10 5 EFBERN CO[C@@H](CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000345205198 145486364 /nfs/dbraw/zinc/48/63/64/145486364.db2.gz OQDRWVGFJCJXCI-NSHDSACASA-N 0 0 335.282 2.992 10 5 EFBERN Cc1c(-c2nc(-c3cccnc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000345705832 145601321 /nfs/dbraw/zinc/60/13/21/145601321.db2.gz LELDMRDFUVSIPV-UHFFFAOYSA-N 0 0 349.310 2.596 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1cc(C)ccc1C ZINC000346638039 145683332 /nfs/dbraw/zinc/68/33/32/145683332.db2.gz ISYBLLMZZONVCI-UHFFFAOYSA-N 0 0 330.388 2.765 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cnc(CC2CC2)nc1 ZINC000346886573 145742267 /nfs/dbraw/zinc/74/22/67/145742267.db2.gz NTKJTBORBWHSSP-UHFFFAOYSA-N 0 0 341.371 2.702 10 5 EFBERN C[C@@]1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000347166852 145804851 /nfs/dbraw/zinc/80/48/51/145804851.db2.gz KXMGCLWKPGVLKK-GFCCVEGCSA-N 0 0 344.165 2.658 10 5 EFBERN CCn1cnnc1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347178782 145807968 /nfs/dbraw/zinc/80/79/68/145807968.db2.gz HNQJAWRKARNMMH-UHFFFAOYSA-N 0 0 346.391 2.825 10 5 EFBERN COCC(C)(C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347231489 145819071 /nfs/dbraw/zinc/81/90/71/145819071.db2.gz YIDHDBCMMWXBGO-UHFFFAOYSA-N 0 0 346.181 2.904 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(F)cc(F)c1F ZINC000348166990 145885701 /nfs/dbraw/zinc/88/57/01/145885701.db2.gz MBAHPPXSOMJUBU-UHFFFAOYSA-N 0 0 328.250 2.546 10 5 EFBERN COCCc1noc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000349012005 146037208 /nfs/dbraw/zinc/03/72/08/146037208.db2.gz WLDIRWPUNBDNCY-UHFFFAOYSA-N 0 0 347.249 2.765 10 5 EFBERN COC(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2)nc1C1CC1 ZINC000349132558 146057406 /nfs/dbraw/zinc/05/74/06/146057406.db2.gz RVDKTRVQOSTCHG-UHFFFAOYSA-N 0 0 341.367 2.944 10 5 EFBERN C[C@H](NS(=O)(=O)c1cccc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000349146122 146059482 /nfs/dbraw/zinc/05/94/82/146059482.db2.gz XSCBLVAZBANFGL-LBPRGKRZSA-N 0 0 349.412 2.700 10 5 EFBERN CC(C)(C)C(C)(C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000350789719 146091171 /nfs/dbraw/zinc/09/11/71/146091171.db2.gz ZQWLRSRXFVSBCW-UHFFFAOYSA-N 0 0 331.376 2.730 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2COc3ccccc3O2)no1 ZINC000350850884 146096438 /nfs/dbraw/zinc/09/64/38/146096438.db2.gz ANARNCGBGAKZCA-CQSZACIVSA-N 0 0 340.295 2.861 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000350850881 146096453 /nfs/dbraw/zinc/09/64/53/146096453.db2.gz ANARNCGBGAKZCA-AWEZNQCLSA-N 0 0 340.295 2.861 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2ccncc2)nn1C ZINC000350991756 146105271 /nfs/dbraw/zinc/10/52/71/146105271.db2.gz LTRMRFKYOPVQKI-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN CCOc1cc(NCCC2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] ZINC000351512340 146135111 /nfs/dbraw/zinc/13/51/11/146135111.db2.gz ZHDARKMFTGEMJA-UHFFFAOYSA-N 0 0 342.417 2.620 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC2CCC2)c2ccccc2)n1 ZINC000351529051 146138978 /nfs/dbraw/zinc/13/89/78/146138978.db2.gz IFJOCYFNEUDPSP-AWEZNQCLSA-N 0 0 328.372 2.990 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCCCO1 ZINC000351688613 146178551 /nfs/dbraw/zinc/17/85/51/146178551.db2.gz YJRMHOWMPHURKE-SNVBAGLBSA-N 0 0 328.752 2.960 10 5 EFBERN CC[C@H]1CCCCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000351711886 146184631 /nfs/dbraw/zinc/18/46/31/146184631.db2.gz LECHZJWSTDQFIJ-HNNXBMFYSA-N 0 0 347.415 2.896 10 5 EFBERN CCOC(=O)c1c(C)onc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000351749220 146194084 /nfs/dbraw/zinc/19/40/84/146194084.db2.gz NFWMCUIVSDQOLB-UHFFFAOYSA-N 0 0 341.707 2.695 10 5 EFBERN O=C(Cc1cccc(O)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351771637 146200010 /nfs/dbraw/zinc/20/00/10/146200010.db2.gz VRYAXUYTPSMQJZ-UHFFFAOYSA-N 0 0 334.759 2.855 10 5 EFBERN C[C@@H](NC(=O)N[C@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000351773239 146200154 /nfs/dbraw/zinc/20/01/54/146200154.db2.gz JRNDLLGADRDWRC-QMTHXVAHSA-N 0 0 335.385 2.750 10 5 EFBERN COc1cc(Cn2nc(-c3cccs3)oc2=O)ccc1[N+](=O)[O-] ZINC000351827693 146212779 /nfs/dbraw/zinc/21/27/79/146212779.db2.gz PUOLNXIJULGMKT-UHFFFAOYSA-N 0 0 333.325 2.530 10 5 EFBERN COc1cc(CN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1[N+](=O)[O-] ZINC000351829507 146213284 /nfs/dbraw/zinc/21/32/84/146213284.db2.gz MUQUCANVZIDMHA-UHFFFAOYSA-N 0 0 347.371 2.604 10 5 EFBERN COc1cc(CSc2nnc3cc(C)nc(C)n32)ccc1[N+](=O)[O-] ZINC000351829592 146213503 /nfs/dbraw/zinc/21/35/03/146213503.db2.gz NQZOVNYSQHONJU-UHFFFAOYSA-N 0 0 345.384 2.950 10 5 EFBERN COc1cc(Cn2nnnc2/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000351828842 146213600 /nfs/dbraw/zinc/21/36/00/146213600.db2.gz IURLUGKZHYDINJ-CSKARUKUSA-N 0 0 337.339 2.809 10 5 EFBERN COc1cc(CN2CCN(c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000351971542 146251790 /nfs/dbraw/zinc/25/17/90/146251790.db2.gz UBHNDHGOYKKNJI-UHFFFAOYSA-N 0 0 343.383 2.631 10 5 EFBERN CNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000352015251 146264999 /nfs/dbraw/zinc/26/49/99/146264999.db2.gz WVQIWPTVWWEDIR-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(CN[C@H](CO)c3ccsc3)n2)cc1 ZINC000352032024 146270615 /nfs/dbraw/zinc/27/06/15/146270615.db2.gz IXRWJCUPYUZQDA-CYBMUJFWSA-N 0 0 346.368 2.530 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352107114 146291263 /nfs/dbraw/zinc/29/12/63/146291263.db2.gz SWJVFQLITKXICJ-QWHCGFSZSA-N 0 0 326.308 2.609 10 5 EFBERN Cc1ccsc1[C@H](CO)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000352161162 146305223 /nfs/dbraw/zinc/30/52/23/146305223.db2.gz UZHCNFCBCLTUCT-ZDUSSCGKSA-N 0 0 349.412 2.540 10 5 EFBERN CCOc1ccc(C(=O)Nc2cccc(OC)c2O)cc1[N+](=O)[O-] ZINC000352873084 146337523 /nfs/dbraw/zinc/33/75/23/146337523.db2.gz HUQMNWPBNNURJC-UHFFFAOYSA-N 0 0 332.312 2.960 10 5 EFBERN Cc1cc(NC(=O)NCCc2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000352880448 146339115 /nfs/dbraw/zinc/33/91/15/146339115.db2.gz AJBGSJDOVOHHLP-UHFFFAOYSA-N 0 0 341.371 2.935 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000352991142 146368511 /nfs/dbraw/zinc/36/85/11/146368511.db2.gz ZCVPMXRNZQBGMN-LLVKDONJSA-N 0 0 342.417 2.660 10 5 EFBERN CCS[C@H](C)c1noc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000352996393 146369882 /nfs/dbraw/zinc/36/98/82/146369882.db2.gz GOXOLNUZLHSAOJ-SNVBAGLBSA-N 0 0 349.416 2.745 10 5 EFBERN Cc1ccc(C(C)(C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000353006610 146372540 /nfs/dbraw/zinc/37/25/40/146372540.db2.gz XERPCVAUAYJRGR-UHFFFAOYSA-N 0 0 341.414 2.573 10 5 EFBERN COc1cccc(C[C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000353084104 146393151 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Cc1cc(C)n([C@H](C)c2nc(Cc3ccccc3[N+](=O)[O-])no2)n1 ZINC000355653911 147025283 /nfs/dbraw/zinc/02/52/83/147025283.db2.gz AEWSXVBAYKIUJX-GFCCVEGCSA-N 0 0 327.344 2.991 10 5 EFBERN COCC[C@H](COC)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000355724619 147045346 /nfs/dbraw/zinc/04/53/46/147045346.db2.gz MTLYUKJTABJRBR-LLVKDONJSA-N 0 0 338.385 2.591 10 5 EFBERN Cc1ccc(Br)c(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000355725491 147045635 /nfs/dbraw/zinc/04/56/35/147045635.db2.gz HEZYRJAZFMWLDD-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000355738100 147048991 /nfs/dbraw/zinc/04/89/91/147048991.db2.gz HHBFGSYWWZNQOX-RDBSUJKOSA-N 0 0 340.445 2.735 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000355791892 147064865 /nfs/dbraw/zinc/06/48/65/147064865.db2.gz XYTFJAUZVKAGKX-UTUOFQBUSA-N 0 0 349.387 2.628 10 5 EFBERN COc1ccc(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000355929940 147101373 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CCOc1ccc([C@@H](C)NCc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000183798202 273048546 /nfs/dbraw/zinc/04/85/46/273048546.db2.gz XDSOVXTZGPNGNG-GFCCVEGCSA-N 0 0 341.371 2.887 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C)CCCCC1 ZINC000193823917 273065084 /nfs/dbraw/zinc/06/50/84/273065084.db2.gz SNYUYGFQJXYVJX-UHFFFAOYSA-N 0 0 328.390 2.605 10 5 EFBERN Cc1cnc(N(C)Cc2cn(C)nc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000269712514 273089259 /nfs/dbraw/zinc/08/92/59/273089259.db2.gz CWTXAENPLNBHFU-UHFFFAOYSA-N 0 0 329.282 2.687 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(C(C)(C)C)cc2)n1 ZINC000271143336 273101506 /nfs/dbraw/zinc/10/15/06/273101506.db2.gz SRTPSOPFJFOURT-UHFFFAOYSA-N 0 0 330.388 2.598 10 5 EFBERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271740218 273107191 /nfs/dbraw/zinc/10/71/91/273107191.db2.gz IKYQEKBFYRYEAJ-CHWSQXEVSA-N 0 0 349.387 2.641 10 5 EFBERN COc1ccccc1CC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273636351 273115808 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CC(C)n1nc(-c2ccco2)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000279091910 273175688 /nfs/dbraw/zinc/17/56/88/273175688.db2.gz NSMHDRNBAUGSNK-UHFFFAOYSA-N 0 0 344.331 2.618 10 5 EFBERN C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000279108792 273177489 /nfs/dbraw/zinc/17/74/89/273177489.db2.gz BQUYNVDNOYMTTK-IUCAKERBSA-N 0 0 327.768 2.623 10 5 EFBERN O=C(NCC1(CO)CC2(CCC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000279145953 273181799 /nfs/dbraw/zinc/18/17/99/273181799.db2.gz PASODHUPOLSDBU-UHFFFAOYSA-N 0 0 338.791 2.921 10 5 EFBERN O=C(NCC1(CO)CC2(CCC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000279149132 273182075 /nfs/dbraw/zinc/18/20/75/273182075.db2.gz PHLWOVKNATXZDV-UHFFFAOYSA-N 0 0 343.383 2.749 10 5 EFBERN Cc1c(CC(=O)NCC2(CO)CC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000279161835 273183430 /nfs/dbraw/zinc/18/34/30/273183430.db2.gz QKIVMPSHPKVADP-UHFFFAOYSA-N 0 0 332.400 2.505 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000279250889 273193323 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Cc1c(NC(=O)N[C@@H](C)CCO)cc(Br)cc1[N+](=O)[O-] ZINC000280742619 273361934 /nfs/dbraw/zinc/36/19/34/273361934.db2.gz LRXPQMHRAZLUHK-ZETCQYMHSA-N 0 0 346.181 2.558 10 5 EFBERN Cc1cc(NC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280778367 273365740 /nfs/dbraw/zinc/36/57/40/273365740.db2.gz HRXLLFDICSPZRD-KRWDZBQOSA-N 0 0 349.387 2.705 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1=O ZINC000281041193 273394339 /nfs/dbraw/zinc/39/43/39/273394339.db2.gz VPJHUYLRKRPUCN-MRVPVSSYSA-N 0 0 343.286 2.639 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1c1ccnn1C ZINC000281043599 273394622 /nfs/dbraw/zinc/39/46/22/273394622.db2.gz FQFUVLOPSBELFJ-HNNXBMFYSA-N 0 0 344.371 2.704 10 5 EFBERN CCC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c([N+](=O)[O-])c1 ZINC000281367655 273428146 /nfs/dbraw/zinc/42/81/46/273428146.db2.gz DJUVLZHWCBCPDF-GDZNZVCISA-N 0 0 346.383 2.965 10 5 EFBERN CC(C)(C)OC(=O)c1cnc(C(=O)Oc2cccc([N+](=O)[O-])c2)cn1 ZINC000282386449 273554723 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Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000413930673 280658295 /nfs/dbraw/zinc/65/82/95/280658295.db2.gz BWLWBGMYCPVOHZ-RDJZCZTQSA-N 0 0 326.352 2.851 10 5 EFBERN CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000041095393 280659850 /nfs/dbraw/zinc/65/98/50/280659850.db2.gz KQZBGXAFGXYRSZ-SFHVURJKSA-N 0 0 339.351 2.952 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000121845065 281009187 /nfs/dbraw/zinc/00/91/87/281009187.db2.gz OQYPJNLLLJZWSW-KBPBESRZSA-N 0 0 345.399 2.799 10 5 EFBERN Cc1cccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)c1[N+](=O)[O-] ZINC000378148564 281195707 /nfs/dbraw/zinc/19/57/07/281195707.db2.gz PDKPDUVBSDFSIX-CYBMUJFWSA-N 0 0 330.315 2.776 10 5 EFBERN Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265600804 281373599 /nfs/dbraw/zinc/37/35/99/281373599.db2.gz RRAAYACUBDBDGB-CHWSQXEVSA-N 0 0 340.383 2.780 10 5 EFBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000151257088 281524973 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2.789 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(F)ccc32)s1 ZINC000066000184 292687853 /nfs/dbraw/zinc/68/78/53/292687853.db2.gz YXSASWCTEHUYMD-UHFFFAOYSA-N 0 0 342.373 2.937 10 5 EFBERN C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327139 292688770 /nfs/dbraw/zinc/68/87/70/292688770.db2.gz HVKXRVQXSJTDKO-LLVKDONJSA-N 0 0 340.426 2.956 10 5 EFBERN CCc1cnc(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000075811137 292747144 /nfs/dbraw/zinc/74/71/44/292747144.db2.gz FFMFBZNJISIWPC-UHFFFAOYSA-N 0 0 334.401 2.656 10 5 EFBERN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000076725883 292759351 /nfs/dbraw/zinc/75/93/51/292759351.db2.gz KPNMUMQJKKTFRT-VHSXEESVSA-N 0 0 339.779 2.834 10 5 EFBERN C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000077662123 292768220 /nfs/dbraw/zinc/76/82/20/292768220.db2.gz KEKZGVVBCZQWMX-RISCZKNCSA-N 0 0 346.412 2.898 10 5 EFBERN O=C(CSCc1ccccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077673029 292768338 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COCc1csc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000124860704 293003720 /nfs/dbraw/zinc/00/37/20/293003720.db2.gz MJTSIGGQVLVBAM-UHFFFAOYSA-N 0 0 348.384 2.788 10 5 EFBERN COC(=O)c1oc2ccccc2c1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000127288040 293064785 /nfs/dbraw/zinc/06/47/85/293064785.db2.gz QWMYUJLJJPXJHE-UHFFFAOYSA-N 0 0 342.307 2.646 10 5 EFBERN CCn1c2ccc(F)cc2nc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000127289075 293064948 /nfs/dbraw/zinc/06/49/48/293064948.db2.gz SEDBOORWQRSMKQ-UHFFFAOYSA-N 0 0 330.319 2.622 10 5 EFBERN CN(C)c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000128317784 293098896 /nfs/dbraw/zinc/09/88/96/293098896.db2.gz RYEYWKFIGIYPFQ-UHFFFAOYSA-N 0 0 339.355 2.718 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000128806703 293115904 /nfs/dbraw/zinc/11/59/04/293115904.db2.gz OSCUQNOAAQKARN-HNNXBMFYSA-N 0 0 344.367 2.847 10 5 EFBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000129850124 293145928 /nfs/dbraw/zinc/14/59/28/293145928.db2.gz IRXNKBPNZVJPHK-WBVHZDCISA-N 0 0 349.431 2.768 10 5 EFBERN O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132474964 293228797 /nfs/dbraw/zinc/22/87/97/293228797.db2.gz SWLBRQVMCABLRT-UHFFFAOYSA-N 0 0 348.721 2.965 10 5 EFBERN NC(=O)c1[nH]nc2ccc(Nc3ccc4ncccc4c3[N+](=O)[O-])cc21 ZINC000132496538 293229537 /nfs/dbraw/zinc/22/95/37/293229537.db2.gz HQOWENYQGIVEAH-UHFFFAOYSA-N 0 0 348.322 2.862 10 5 EFBERN COc1ccc(C(=O)NCCC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000134401781 293288906 /nfs/dbraw/zinc/28/89/06/293288906.db2.gz FXFUOWDFPJATAO-IUODEOHRSA-N 0 0 336.388 2.665 10 5 EFBERN C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151599343 293294802 /nfs/dbraw/zinc/29/48/02/293294802.db2.gz DZQYRWVQXDSFGP-DOMZBBRYSA-N 0 0 326.418 2.935 10 5 EFBERN C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000152854140 293350596 /nfs/dbraw/zinc/35/05/96/293350596.db2.gz DRRFBVNSOLDNJP-XJKSGUPXSA-N 0 0 343.387 2.584 10 5 EFBERN Cc1ccc(NCCCNC(=O)[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000152961514 293354562 /nfs/dbraw/zinc/35/45/62/293354562.db2.gz XOIWCCVQIPRACT-AWEZNQCLSA-N 0 0 349.431 2.884 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000153155481 293363129 /nfs/dbraw/zinc/36/31/29/293363129.db2.gz DCNVXEIKFNKDAY-NOLJZWGESA-N 0 0 335.404 2.896 10 5 EFBERN COC(=O)[C@@H](c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153160621 293363939 /nfs/dbraw/zinc/36/39/39/293363939.db2.gz LHEMGCLCZHQHNN-QGZVFWFLSA-N 0 0 326.352 2.867 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153233149 293367030 /nfs/dbraw/zinc/36/70/30/293367030.db2.gz DWVGSXXSGWPIPV-ZDUSSCGKSA-N 0 0 325.368 2.980 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153299996 293369697 /nfs/dbraw/zinc/36/96/97/293369697.db2.gz BKXCOYWDLZGONG-GFCCVEGCSA-N 0 0 344.415 2.625 10 5 EFBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000153363266 293372042 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CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000155368710 293468433 /nfs/dbraw/zinc/46/84/33/293468433.db2.gz ROKCVBBLOMCRTR-UHFFFAOYSA-N 0 0 329.312 2.727 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC000155845488 293489930 /nfs/dbraw/zinc/48/99/30/293489930.db2.gz JCFZGBDZTAKICI-UHFFFAOYSA-N 0 0 340.339 2.597 10 5 EFBERN CC1(C)CCCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155947277 293493295 /nfs/dbraw/zinc/49/32/95/293493295.db2.gz MFOWSUJGUZXBAD-AWEZNQCLSA-N 0 0 326.418 2.983 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000373154856 293726792 /nfs/dbraw/zinc/72/67/92/293726792.db2.gz QQGXIZPDYGACDI-KRWDZBQOSA-N 0 0 344.415 2.827 10 5 EFBERN COc1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000247634487 293727375 /nfs/dbraw/zinc/72/73/75/293727375.db2.gz OAJXINPSHFREOO-DGCLKSJQSA-N 0 0 340.401 2.557 10 5 EFBERN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C ZINC000248625046 293750159 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C[C@@H](c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)C1CC1 ZINC000290223910 294031837 /nfs/dbraw/zinc/03/18/37/294031837.db2.gz ZXKRRJIYVZNOAE-MRVPVSSYSA-N 0 0 337.357 2.562 10 5 EFBERN Cc1sc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000125157267 294078223 /nfs/dbraw/zinc/07/82/23/294078223.db2.gz ILBMKCLVTVORLO-GHMZBOCLSA-N 0 0 330.431 2.775 10 5 EFBERN O=C(NC1CC1)c1ccc(NCCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000290522123 294110056 /nfs/dbraw/zinc/11/00/56/294110056.db2.gz GJFQANGRTIXHIA-UHFFFAOYSA-N 0 0 341.367 2.847 10 5 EFBERN NC(=O)c1ccnc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000290540311 294114391 /nfs/dbraw/zinc/11/43/91/294114391.db2.gz IIMHEZXAZKYPQM-LLVKDONJSA-N 0 0 346.774 2.736 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000290623511 294138855 /nfs/dbraw/zinc/13/88/55/294138855.db2.gz XGJSWZFCZGOMSK-INIZCTEOSA-N 0 0 340.351 2.721 10 5 EFBERN CCOCc1nc([C@H](C)NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)no1 ZINC000290879844 294210494 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CCc1noc(C)c1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000293821582 295057014 /nfs/dbraw/zinc/05/70/14/295057014.db2.gz FROVCKLTOKSYJP-UHFFFAOYSA-N 0 0 347.371 2.847 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC2(Cc3ccc(Cl)cc3)CCC2)n1 ZINC000293918271 295079383 /nfs/dbraw/zinc/07/93/83/295079383.db2.gz SJJXHVXACGMHAO-UHFFFAOYSA-N 0 0 348.790 2.877 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000294032870 295101094 /nfs/dbraw/zinc/10/10/94/295101094.db2.gz FVCFCUUUFAZBBJ-ZUZCIYMTSA-N 0 0 326.780 2.838 10 5 EFBERN Cc1sc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294097763 295110315 /nfs/dbraw/zinc/11/03/15/295110315.db2.gz JKYVOFKXYPNVQT-AWEZNQCLSA-N 0 0 336.413 2.996 10 5 EFBERN C[C@]12CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000294122478 295114581 /nfs/dbraw/zinc/11/45/81/295114581.db2.gz TYNXVBPITAABDH-YPMHNXCESA-N 0 0 341.270 2.620 10 5 EFBERN CC(C)[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000294248800 295135203 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EFBERN COc1ccccc1NC(=O)[C@@H](C(C)C)n1cc([N+](=O)[O-])c(C)n1 ZINC000294883541 295240725 /nfs/dbraw/zinc/24/07/25/295240725.db2.gz AJRNNBPDFUTDLH-OAHLLOKOSA-N 0 0 332.360 2.944 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC3(CCC(O)CC3)CC2)c2nonc21 ZINC000294922188 295246256 /nfs/dbraw/zinc/24/62/56/295246256.db2.gz JYFWNJSVSMQOJZ-UHFFFAOYSA-N 0 0 332.360 2.653 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000408302571 295255342 /nfs/dbraw/zinc/25/53/42/295255342.db2.gz GYOBSOASPIMHNC-GRYCIOLGSA-N 0 0 342.417 2.659 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2OC)cc([N+](=O)[O-])c1 ZINC000295033559 295259680 /nfs/dbraw/zinc/25/96/80/295259680.db2.gz OTVCZWRDXFQITJ-UONOGXRCSA-N 0 0 336.344 2.525 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295080530 295265786 /nfs/dbraw/zinc/26/57/86/295265786.db2.gz DZFXDNRGVZXMCV-QMMMGPOBSA-N 0 0 339.291 2.878 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295192107 295280242 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EFBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nnc2ccccn21 ZINC000032809014 304568215 /nfs/dbraw/zinc/56/82/15/304568215.db2.gz SVBUFCJZDZGQHJ-CQSZACIVSA-N 0 0 337.339 2.615 10 5 EFBERN C[C@H]1COC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180347072 300362059 /nfs/dbraw/zinc/36/20/59/300362059.db2.gz XWAOREVZADUYAK-IUCAKERBSA-N 0 0 343.177 2.607 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000408169700 301204995 /nfs/dbraw/zinc/20/49/95/301204995.db2.gz ACBCEBKCEWLBHF-HIFRSBDPSA-N 0 0 344.415 2.586 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1[C@@H]1NC(=S)N=C(C)C1C(=O)OC(C)C ZINC000184353411 301432631 /nfs/dbraw/zinc/43/26/31/301432631.db2.gz XJKDQSUCGCRIEX-AWEZNQCLSA-N 0 0 349.412 2.648 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000345215987 301857329 /nfs/dbraw/zinc/85/73/29/301857329.db2.gz DUYLFRWBVZOLPN-BFHYXJOUSA-N 0 0 336.388 2.696 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451766763 302046240 /nfs/dbraw/zinc/04/62/40/302046240.db2.gz SSNXSPMIYQMATK-OEUWWYETSA-N 0 0 348.424 2.736 10 5 EFBERN Cc1ccccc1-c1noc(=O)n1Cc1c(F)cccc1[N+](=O)[O-] ZINC000349030128 302074606 /nfs/dbraw/zinc/07/46/06/302074606.db2.gz DPUCTGKJJSDANO-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN Cc1ccn2c(c1)nnc2NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342928667 302261931 /nfs/dbraw/zinc/26/19/31/302261931.db2.gz OVLMBJVOWQMTKW-UHFFFAOYSA-N 0 0 336.311 2.680 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000373149926 302779846 /nfs/dbraw/zinc/77/98/46/302779846.db2.gz AACIABROPUFZKE-MRXNPFEDSA-N 0 0 348.378 2.658 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@]4(CCCOC4)C3)c21 ZINC000408193156 304806977 /nfs/dbraw/zinc/80/69/77/304806977.db2.gz BJXKDPUGELANAM-KRWDZBQOSA-N 0 0 328.372 2.935 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000134628444 310644565 /nfs/dbraw/zinc/64/45/65/310644565.db2.gz ABUVTNHGSTXFJV-DOMZBBRYSA-N 0 0 336.388 2.665 10 5 EFBERN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)c(Cl)c1 ZINC000151234512 310680620 /nfs/dbraw/zinc/68/06/20/310680620.db2.gz FNAUWBUSUTWVLQ-UHFFFAOYSA-N 0 0 349.774 2.933 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000159841617 310691879 /nfs/dbraw/zinc/69/18/79/310691879.db2.gz KLLVACJMBMCFHD-IUODEOHRSA-N 0 0 343.383 2.583 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000160707709 310701943 /nfs/dbraw/zinc/70/19/43/310701943.db2.gz MJIMSTJPJDQHAJ-GFCCVEGCSA-N 0 0 330.340 2.802 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000161191498 310707049 /nfs/dbraw/zinc/70/70/49/310707049.db2.gz ULKAZROHZYRHQQ-CVEARBPZSA-N 0 0 346.408 2.613 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000171026223 310741491 /nfs/dbraw/zinc/74/14/91/310741491.db2.gz CNNUGFVAWQLCKB-JTQLQIEISA-N 0 0 325.328 2.666 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1C ZINC000171206754 310744370 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O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCc1ccccn1 ZINC000179437796 310787173 /nfs/dbraw/zinc/78/71/73/310787173.db2.gz ZTGZCTFNLLJZAS-UHFFFAOYSA-N 0 0 338.367 2.763 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@](C)(F)C1 ZINC000296401925 310815112 /nfs/dbraw/zinc/81/51/12/310815112.db2.gz YCMUUGAZIXEETF-INIZCTEOSA-N 0 0 337.351 2.501 10 5 EFBERN Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000297619499 310914833 /nfs/dbraw/zinc/91/48/33/310914833.db2.gz GTTFSCPSRHJDKM-LBPRGKRZSA-N 0 0 344.371 2.873 10 5 EFBERN CC[C@H](NC(=O)NC[C@]1(O)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000297870948 310936410 /nfs/dbraw/zinc/93/64/10/310936410.db2.gz IMJKOZKGEIZPCD-ISTRZQFTSA-N 0 0 335.404 2.896 10 5 EFBERN CC(C)(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(F)(F)F ZINC000297905525 310939435 /nfs/dbraw/zinc/93/94/35/310939435.db2.gz RGYMFIADVWWIKX-UHFFFAOYSA-N 0 0 342.277 2.851 10 5 EFBERN COC[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000297922640 310940847 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EFBERN Cc1ccc(CN(C)C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000298824048 311026348 /nfs/dbraw/zinc/02/63/48/311026348.db2.gz GJAOLWRFHDMVAN-UHFFFAOYSA-N 0 0 345.355 2.710 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCc2ncnn2C(C)C)cc1[N+](=O)[O-] ZINC000298899486 311033081 /nfs/dbraw/zinc/03/30/81/311033081.db2.gz KSFIJUBAROERBB-UHFFFAOYSA-N 0 0 337.767 2.659 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2C1 ZINC000299029455 311043413 /nfs/dbraw/zinc/04/34/13/311043413.db2.gz AJVSSAQDGFTIBK-OAHLLOKOSA-N 0 0 326.352 2.505 10 5 EFBERN Cc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3C)CCCC2)no1 ZINC000299681619 311110408 /nfs/dbraw/zinc/11/04/08/311110408.db2.gz JQTLVICAHPKYTJ-UHFFFAOYSA-N 0 0 330.344 2.794 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1cccc(Cl)c1 ZINC000301059795 311116633 /nfs/dbraw/zinc/11/66/33/311116633.db2.gz BEANBHORLFBNIA-UHFFFAOYSA-N 0 0 334.763 2.787 10 5 EFBERN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000301068672 311117188 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Cc1c2cc(F)ccc2oc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301101912 311118972 /nfs/dbraw/zinc/11/89/72/311118972.db2.gz IJPHBWYEYIULCM-UHFFFAOYSA-N 0 0 344.302 2.895 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCc1ccc2ccccc2c1 ZINC000301112819 311119652 /nfs/dbraw/zinc/11/96/52/311119652.db2.gz ZVBZPJJXKGCHHF-UHFFFAOYSA-N 0 0 336.351 2.897 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(OC(F)F)c1 ZINC000301129367 311120732 /nfs/dbraw/zinc/12/07/32/311120732.db2.gz WSLGIVJNZFBSJL-UHFFFAOYSA-N 0 0 337.282 2.907 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(N)=O)C[C@@H](c2ccccc2)O1 ZINC000301133852 311120909 /nfs/dbraw/zinc/12/09/09/311120909.db2.gz ZFNIDXCNDVYFQK-PXAZEXFGSA-N 0 0 341.367 2.660 10 5 EFBERN O=C(CNc1cccc(F)c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000301149756 311121477 /nfs/dbraw/zinc/12/14/77/311121477.db2.gz CLQGLWRLGWMGPG-UHFFFAOYSA-N 0 0 335.360 2.792 10 5 EFBERN COC(=O)c1cc(N[C@H](C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000301235057 311126025 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COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3nccs3)CC2)c1 ZINC000301331244 311131805 /nfs/dbraw/zinc/13/18/05/311131805.db2.gz DPEJNOYYOLGSSB-UHFFFAOYSA-N 0 0 338.364 2.526 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000301356767 311133444 /nfs/dbraw/zinc/13/34/44/311133444.db2.gz NFFBBGYRFWMTJE-DGCLKSJQSA-N 0 0 332.747 2.710 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccc(O)cc3)CC2)c1 ZINC000301364914 311133627 /nfs/dbraw/zinc/13/36/27/311133627.db2.gz RYGVDTYHNUFHJU-UHFFFAOYSA-N 0 0 347.346 2.775 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C(C)C)N2CCOCC2)c1 ZINC000301361359 311133785 /nfs/dbraw/zinc/13/37/85/311133785.db2.gz QIEXIFKMZCGYPJ-OAHLLOKOSA-N 0 0 341.383 2.511 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000301402099 311135618 /nfs/dbraw/zinc/13/56/18/311135618.db2.gz CTHKGEVQYYLHLZ-DZGCQCFKSA-N 0 0 344.346 2.976 10 5 EFBERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000301447203 311137849 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COc1cc(N[C@H](C)C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000301615811 311147999 /nfs/dbraw/zinc/14/79/99/311147999.db2.gz JHIAAZCHXYNIMA-LLVKDONJSA-N 0 0 347.346 2.859 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1 ZINC000301625645 311148461 /nfs/dbraw/zinc/14/84/61/311148461.db2.gz HDHQVXYOEYFUBJ-OALUTQOASA-N 0 0 339.395 2.684 10 5 EFBERN COc1cc(NCCC(=O)NC2CCCCC2)c([N+](=O)[O-])cc1F ZINC000301626951 311148573 /nfs/dbraw/zinc/14/85/73/311148573.db2.gz QRDNXCIPIUKYOY-UHFFFAOYSA-N 0 0 339.367 2.993 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N(C)C2CCOCC2)cc1Cl ZINC000301650340 311149985 /nfs/dbraw/zinc/14/99/85/311149985.db2.gz FYZJSOSIDNVBTJ-UHFFFAOYSA-N 0 0 328.752 2.650 10 5 EFBERN COc1cc(NC[C@H](C)CC2(C)OCCO2)c([N+](=O)[O-])cc1F ZINC000301651829 311150097 /nfs/dbraw/zinc/15/00/97/311150097.db2.gz SOYJIVYKCKJWQM-SNVBAGLBSA-N 0 0 328.340 2.944 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000301659099 311150723 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CC(C)CC[C@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301700832 311153399 /nfs/dbraw/zinc/15/33/99/311153399.db2.gz PRVOEAKLPSHPKF-GFCCVEGCSA-N 0 0 341.433 2.647 10 5 EFBERN COc1ccccc1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301703927 311153624 /nfs/dbraw/zinc/15/36/24/311153624.db2.gz UTLCJKJISFHQFB-UHFFFAOYSA-N 0 0 343.339 2.589 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3ccc(F)cc3F)cc2N1 ZINC000301712498 311153983 /nfs/dbraw/zinc/15/39/83/311153983.db2.gz YLAMAQMHJQLMBZ-UHFFFAOYSA-N 0 0 349.293 2.859 10 5 EFBERN COc1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc(OC)c1O ZINC000301746572 311156308 /nfs/dbraw/zinc/15/63/08/311156308.db2.gz PWZVFXWJLLNZKB-UHFFFAOYSA-N 0 0 339.735 2.978 10 5 EFBERN CNC(=O)[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000301751937 311156539 /nfs/dbraw/zinc/15/65/39/311156539.db2.gz BHUZDXIBFCHNME-NSHDSACASA-N 0 0 330.182 2.540 10 5 EFBERN CS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000301784382 311157879 /nfs/dbraw/zinc/15/78/79/311157879.db2.gz KMCZNLJDZQVYMW-MWLCHTKSSA-N 0 0 330.431 2.694 10 5 EFBERN CC(C)(C)SCCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301803311 311159321 /nfs/dbraw/zinc/15/93/21/311159321.db2.gz UFBQRSWCXSLPFP-UHFFFAOYSA-N 0 0 332.447 2.942 10 5 EFBERN CN(Cc1nc2ccccc2s1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301830228 311161347 /nfs/dbraw/zinc/16/13/47/311161347.db2.gz HLCZPVFBTPXQQY-UHFFFAOYSA-N 0 0 340.368 2.884 10 5 EFBERN COc1cccc([C@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301832366 311161358 /nfs/dbraw/zinc/16/13/58/311161358.db2.gz JBEBVPNWXSZKGI-CQSZACIVSA-N 0 0 339.355 2.988 10 5 EFBERN NC(=O)C[C@@H]1CCCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000301851315 311162537 /nfs/dbraw/zinc/16/25/37/311162537.db2.gz FUHNVCDMGJETMG-JTQLQIEISA-N 0 0 342.193 2.592 10 5 EFBERN O=C1CCC(=O)N1C1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301861439 311163191 /nfs/dbraw/zinc/16/31/91/311163191.db2.gz TYLYZVICTCATIQ-UHFFFAOYSA-N 0 0 335.335 2.606 10 5 EFBERN CO[C@@H]1CC[C@@H]2OCCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000301867634 311163696 /nfs/dbraw/zinc/16/36/96/311163696.db2.gz VTPNACCQMQAGJA-SWHYSGLUSA-N 0 0 328.315 2.646 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000301907064 311166176 /nfs/dbraw/zinc/16/61/76/311166176.db2.gz ZNADXCWPAFARGZ-LBPRGKRZSA-N 0 0 333.319 2.909 10 5 EFBERN COc1ccc(C[C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301921413 311166980 /nfs/dbraw/zinc/16/69/80/311166980.db2.gz FUGHSMAOVKLZCC-LBPRGKRZSA-N 0 0 341.371 2.937 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CCCC[C@H]3C2)s1 ZINC000301920658 311167050 /nfs/dbraw/zinc/16/70/50/311167050.db2.gz DBSLINUALOBVNC-UWVGGRQHSA-N 0 0 330.431 2.686 10 5 EFBERN Cc1csc([C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000301926004 311167294 /nfs/dbraw/zinc/16/72/94/311167294.db2.gz HHGSQACPTFICNC-SSDOTTSWSA-N 0 0 347.443 2.998 10 5 EFBERN CC[C@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000301931729 311167494 /nfs/dbraw/zinc/16/74/94/311167494.db2.gz OVYUKKZQXOUJAK-JTQLQIEISA-N 0 0 347.337 2.908 10 5 EFBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc2c(c1)OCO2 ZINC000301944136 311167970 /nfs/dbraw/zinc/16/79/70/311167970.db2.gz WMYKYBMNIPUGJT-VIFPVBQESA-N 0 0 327.300 2.539 10 5 EFBERN COc1ccc(C)cc1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301945752 311168334 /nfs/dbraw/zinc/16/83/34/311168334.db2.gz XFOOLQXDCILGRK-UHFFFAOYSA-N 0 0 327.344 2.609 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCN(c4ccccc4)C3)nn21 ZINC000301954186 311168585 /nfs/dbraw/zinc/16/85/85/311168585.db2.gz DFHGVBLIEIYDGR-CYBMUJFWSA-N 0 0 338.371 2.718 10 5 EFBERN C[C@@H](C[C@H](O)c1cccs1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301950376 311168615 /nfs/dbraw/zinc/16/86/15/311168615.db2.gz ISBIRRDDEPRVAF-UWVGGRQHSA-N 0 0 333.373 2.623 10 5 EFBERN Cc1cnc([C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C2CC2)s1 ZINC000301959370 311168786 /nfs/dbraw/zinc/16/87/86/311168786.db2.gz GYQLCGQYYJJMEP-ZDUSSCGKSA-N 0 0 330.373 2.966 10 5 EFBERN CCOc1cc(N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000301973553 311169525 /nfs/dbraw/zinc/16/95/25/311169525.db2.gz JTPYQJXDODUEFF-CWRNSKLLSA-N 0 0 336.388 2.766 10 5 EFBERN CCOc1cc(N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000301973555 311169657 /nfs/dbraw/zinc/16/96/57/311169657.db2.gz JTPYQJXDODUEFF-NUEKZKHPSA-N 0 0 336.388 2.766 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCOC4(CCCCC4)C3)nn21 ZINC000301975114 311169791 /nfs/dbraw/zinc/16/97/91/311169791.db2.gz VRUWIZZPFPIXCU-LBPRGKRZSA-N 0 0 331.376 2.931 10 5 EFBERN CCSC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCOCC1 ZINC000301983212 311170252 /nfs/dbraw/zinc/17/02/52/311170252.db2.gz ASVZXOIWXMXHKL-UHFFFAOYSA-N 0 0 326.418 2.801 10 5 EFBERN Cc1cc(NC[C@@](C)(O)c2cnn(C)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000301985651 311170520 /nfs/dbraw/zinc/17/05/20/311170520.db2.gz CNTSDMDLDRGUOT-QGZVFWFLSA-N 0 0 341.371 2.505 10 5 EFBERN Nc1nc(N[C@@H]2CCCOc3c(Cl)cccc32)ncc1[N+](=O)[O-] ZINC000301995004 311171054 /nfs/dbraw/zinc/17/10/54/311171054.db2.gz HFLDFFNNGILMAF-SNVBAGLBSA-N 0 0 335.751 2.946 10 5 EFBERN COc1cccc(O[C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000302001598 311171217 /nfs/dbraw/zinc/17/12/17/311171217.db2.gz QNTFDFWPLBHSMX-LLVKDONJSA-N 0 0 343.343 2.526 10 5 EFBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(-n2cccn2)cc1 ZINC000302001511 311171361 /nfs/dbraw/zinc/17/13/61/311171361.db2.gz QLJVRDJLFQMVHR-LBPRGKRZSA-N 0 0 349.354 2.996 10 5 EFBERN CCN(CC(=O)NC(C)C)c1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000302001302 311171380 /nfs/dbraw/zinc/17/13/80/311171380.db2.gz JDNFJIPMZKQEOT-UHFFFAOYSA-N 0 0 330.388 2.802 10 5 EFBERN Cc1ccccc1O[C@H](C)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302004178 311171446 /nfs/dbraw/zinc/17/14/46/311171446.db2.gz RRKHHJPZISGLBP-GFCCVEGCSA-N 0 0 327.344 2.825 10 5 EFBERN Cc1ccc(OCCCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000302006883 311171667 /nfs/dbraw/zinc/17/16/67/311171667.db2.gz UJIGJSFGWCVFNW-UHFFFAOYSA-N 0 0 327.344 2.827 10 5 EFBERN COc1ccccc1[C@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302006109 311171683 /nfs/dbraw/zinc/17/16/83/311171683.db2.gz TZJMGTPFEAUTPB-CYBMUJFWSA-N 0 0 339.355 2.988 10 5 EFBERN Cc1cc(NC[C@H]2CN(C3CC3)CCO2)c2cccc([N+](=O)[O-])c2n1 ZINC000302016761 311172189 /nfs/dbraw/zinc/17/21/89/311172189.db2.gz LXRDMOAEVYNCTO-AWEZNQCLSA-N 0 0 342.399 2.727 10 5 EFBERN COC(=O)C(C)(C)[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302019111 311172453 /nfs/dbraw/zinc/17/24/53/311172453.db2.gz DJPMGQNVGLMKAK-ZDUSSCGKSA-N 0 0 336.388 2.503 10 5 EFBERN COc1ccc(-n2cc(CNc3sccc3[N+](=O)[O-])nn2)cc1 ZINC000302020113 311172515 /nfs/dbraw/zinc/17/25/15/311172515.db2.gz NKNNHIBBMSLGPP-UHFFFAOYSA-N 0 0 331.357 2.858 10 5 EFBERN Cc1cc(N2CCC(C(=O)N(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302024960 311172710 /nfs/dbraw/zinc/17/27/10/311172710.db2.gz PQFVHPNSIRCMRO-UHFFFAOYSA-N 0 0 342.399 2.756 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(CC(F)F)CC2)c(OC(F)F)c1 ZINC000302028169 311173128 /nfs/dbraw/zinc/17/31/28/311173128.db2.gz AUPPMELSFZGJAU-UHFFFAOYSA-N 0 0 337.273 2.583 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000302029449 311173356 /nfs/dbraw/zinc/17/33/56/311173356.db2.gz JIKBEORMILRZEQ-IBGZPJMESA-N 0 0 340.379 2.765 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302036222 311173793 /nfs/dbraw/zinc/17/37/93/311173793.db2.gz LZUDPRZAADATPS-KGLIPLIRSA-N 0 0 335.404 2.582 10 5 EFBERN Cc1cc(NCCCC(=O)NC2CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302039780 311174312 /nfs/dbraw/zinc/17/43/12/311174312.db2.gz VZKSILIQMJZCHO-UHFFFAOYSA-N 0 0 328.372 2.922 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1csc(N2CCCC2)n1 ZINC000302060419 311175498 /nfs/dbraw/zinc/17/54/98/311175498.db2.gz RVBXWECYICMHPI-UHFFFAOYSA-N 0 0 348.428 2.798 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000302059640 311175693 /nfs/dbraw/zinc/17/56/93/311175693.db2.gz BFNIXLCZIDVSKY-UHFFFAOYSA-N 0 0 331.284 2.902 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC000302076882 311176607 /nfs/dbraw/zinc/17/66/07/311176607.db2.gz HKWXGLYLDWBBRE-CYBMUJFWSA-N 0 0 346.343 2.501 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1nnc(-c2ccccc2)o1 ZINC000302079514 311176800 /nfs/dbraw/zinc/17/68/00/311176800.db2.gz ZMLZYAGJZWRFDF-UHFFFAOYSA-N 0 0 340.339 2.792 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(NC(C)=O)c2)c1 ZINC000302083335 311177044 /nfs/dbraw/zinc/17/70/44/311177044.db2.gz JVQCXKSPAICCJL-UHFFFAOYSA-N 0 0 343.339 2.952 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)c2ccccc2F)c1 ZINC000302116575 311178478 /nfs/dbraw/zinc/17/84/78/311178478.db2.gz WHWCLWMYXDZOIL-HNNXBMFYSA-N 0 0 334.303 2.666 10 5 EFBERN CCOc1cc(N[C@@H]2CS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000302113831 311178516 /nfs/dbraw/zinc/17/85/16/311178516.db2.gz BTHRGKPGAYGIMQ-CYBMUJFWSA-N 0 0 348.380 2.934 10 5 EFBERN Cc1cc(C)cc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)c1 ZINC000302116757 311178549 /nfs/dbraw/zinc/17/85/49/311178549.db2.gz CGYQPHIQGYMQLJ-ZDUSSCGKSA-N 0 0 340.383 2.699 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)nc1 ZINC000302126032 311179053 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Cc1csc([C@@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)n1 ZINC000302157728 311181380 /nfs/dbraw/zinc/18/13/80/311181380.db2.gz WXWFKYIBKBMQLI-QMMMGPOBSA-N 0 0 348.384 2.906 10 5 EFBERN C[C@@](O)(CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(Cl)c1 ZINC000302163178 311181766 /nfs/dbraw/zinc/18/17/66/311181766.db2.gz IHJNEXYRSAMNSU-OAHLLOKOSA-N 0 0 347.762 2.611 10 5 EFBERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc(C(C)=O)cc1[N+](=O)[O-])C2 ZINC000302166456 311181893 /nfs/dbraw/zinc/18/18/93/311181893.db2.gz KWDJTFVUTOUBIE-DYVFJYSZSA-N 0 0 332.356 2.577 10 5 EFBERN Cc1noc(C)c1CO[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000302172758 311182344 /nfs/dbraw/zinc/18/23/44/311182344.db2.gz VCSVKKOWXQIEDD-CYBMUJFWSA-N 0 0 332.360 2.699 10 5 EFBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000302178715 311182535 /nfs/dbraw/zinc/18/25/35/311182535.db2.gz XJLPNBQGNLMVAS-CYBMUJFWSA-N 0 0 332.360 2.699 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(-n3cncn3)cc2)c1 ZINC000302180257 311182804 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NC(=O)c1coc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1 ZINC000302388440 311189114 /nfs/dbraw/zinc/18/91/14/311189114.db2.gz HXUPBFFZXPSHET-UHFFFAOYSA-N 0 0 327.243 2.500 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000302409736 311189311 /nfs/dbraw/zinc/18/93/11/311189311.db2.gz LFJYXTLEUIGAGC-UHFFFAOYSA-N 0 0 331.351 2.661 10 5 EFBERN Cc1ccc(N2CCC[C@@H](c3nc(N(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC000302445436 311190202 /nfs/dbraw/zinc/19/02/02/311190202.db2.gz NYKSCKRAMWWCSD-GFCCVEGCSA-N 0 0 331.376 2.736 10 5 EFBERN Cc1ccc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000302470913 311190747 /nfs/dbraw/zinc/19/07/47/311190747.db2.gz WAQFIMXEEAWFHY-UHFFFAOYSA-N 0 0 327.388 2.830 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC2(O)CCCCCC2)c1 ZINC000302487850 311191189 /nfs/dbraw/zinc/19/11/89/311191189.db2.gz YWZURYNTVCTEPJ-UHFFFAOYSA-N 0 0 336.388 2.903 10 5 EFBERN CC(C)(C)OCc1cc(CNc2ccc3ncc([N+](=O)[O-])n3n2)no1 ZINC000302489234 311191192 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O=c1c([N+](=O)[O-])cc(Br)cn1C[C@@H]1CCC(F)(F)C1 ZINC000330715158 311330526 /nfs/dbraw/zinc/33/05/26/311330526.db2.gz BBNWMRARFNSVMH-SSDOTTSWSA-N 0 0 337.120 2.954 10 5 EFBERN COc1cc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000330924828 311344072 /nfs/dbraw/zinc/34/40/72/311344072.db2.gz UYNUATXEVGARCJ-DOMZBBRYSA-N 0 0 340.395 2.971 10 5 EFBERN CC[C@@]1(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000330980116 311347165 /nfs/dbraw/zinc/34/71/65/311347165.db2.gz IXGYANUBVQNUDM-HNNXBMFYSA-N 0 0 344.314 2.837 10 5 EFBERN COCC1(C)CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331113493 311354975 /nfs/dbraw/zinc/35/49/75/311354975.db2.gz MHCDPOYREUNBOQ-UHFFFAOYSA-N 0 0 342.342 2.691 10 5 EFBERN CC1(C)CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000331110718 311355094 /nfs/dbraw/zinc/35/50/94/311355094.db2.gz LBFLTTWJZAPVCN-UHFFFAOYSA-N 0 0 330.356 2.770 10 5 EFBERN C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C(N)=O)C1 ZINC000331149835 311357247 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DPBWSFIKVCXXLH-LLVKDONJSA-N 0 0 347.396 2.875 10 5 EFBERN CC[C@H](C)N1CC(=O)N(CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000348974081 311752438 /nfs/dbraw/zinc/75/24/38/311752438.db2.gz PULXVWMAPBLMEQ-NSHDSACASA-N 0 0 344.371 2.681 10 5 EFBERN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(C[C@@H]4CCCO4)no3)n2)cc1 ZINC000349840696 311781137 /nfs/dbraw/zinc/78/11/37/311781137.db2.gz KOZKKJJEVXMWDX-ZDUSSCGKSA-N 0 0 341.327 2.552 10 5 EFBERN COc1cc(Cc2noc(C3CCC(=O)CC3)n2)ccc1[N+](=O)[O-] ZINC000350513624 311802374 /nfs/dbraw/zinc/80/23/74/311802374.db2.gz SHMGBHZIJBGOKQ-UHFFFAOYSA-N 0 0 331.328 2.804 10 5 EFBERN Cc1nnc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4C)n3)cn12 ZINC000350940989 311836827 /nfs/dbraw/zinc/83/68/27/311836827.db2.gz SRNTZHLQDAZWIR-UHFFFAOYSA-N 0 0 336.311 2.971 10 5 EFBERN O=C(Cc1noc(CC2CCCC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000350976757 311840012 /nfs/dbraw/zinc/84/00/12/311840012.db2.gz HBJMQISBKUJRGW-UHFFFAOYSA-N 0 0 344.371 2.569 10 5 EFBERN CCCCCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350985585 311840660 /nfs/dbraw/zinc/84/06/60/311840660.db2.gz QNRYGHSDVQCXSZ-UHFFFAOYSA-N 0 0 332.360 2.569 10 5 EFBERN COc1cc(-c2nc([C@H]3CCOC[C@H]3C)no2)c([N+](=O)[O-])cc1F ZINC000351117833 311854634 /nfs/dbraw/zinc/85/46/34/311854634.db2.gz FVOHFFPAPZPOGV-BDAKNGLRSA-N 0 0 337.307 2.933 10 5 EFBERN CO[C@@H]1COCC[C@@H]1Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000351142231 311857879 /nfs/dbraw/zinc/85/78/79/311857879.db2.gz DOIUUDRKPSMOAQ-BXUZGUMPSA-N 0 0 333.344 2.547 10 5 EFBERN Cc1cc(Cc2noc([C@@H](C)c3cncnc3)n2)ccc1[N+](=O)[O-] ZINC000351210061 311865498 /nfs/dbraw/zinc/86/54/98/311865498.db2.gz CDWGRFQXOBGDME-NSHDSACASA-N 0 0 325.328 2.819 10 5 EFBERN Cc1c(Cc2noc([C@@H](C)c3cncnc3)n2)cccc1[N+](=O)[O-] ZINC000351257860 311873098 /nfs/dbraw/zinc/87/30/98/311873098.db2.gz CJCFPFDRJDEOFB-NSHDSACASA-N 0 0 325.328 2.819 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000355628397 311897539 /nfs/dbraw/zinc/89/75/39/311897539.db2.gz IWMZGGYFNSKHTO-OCCSQVGLSA-N 0 0 326.299 2.721 10 5 EFBERN C[C@H](Cc1ccccc1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362973561 311928119 /nfs/dbraw/zinc/92/81/19/311928119.db2.gz VXLXUMWJQJCYTE-CYBMUJFWSA-N 0 0 325.368 2.753 10 5 EFBERN CCNc1ccc(C(=O)NCCc2ncccc2C)cc1[N+](=O)[O-] ZINC000405085004 311973883 /nfs/dbraw/zinc/97/38/83/311973883.db2.gz NQYGSTUZHBPMEF-UHFFFAOYSA-N 0 0 328.372 2.703 10 5 EFBERN Cc1sc(C(=O)NCc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000412599814 311997612 /nfs/dbraw/zinc/99/76/12/311997612.db2.gz GLBRRWGMYXXDQW-UHFFFAOYSA-N 0 0 346.290 2.704 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nccn3C)cc2[N+](=O)[O-])C1 ZINC000412743778 312007140 /nfs/dbraw/zinc/00/71/40/312007140.db2.gz YZVLFIHCKZOWHT-GFCCVEGCSA-N 0 0 343.387 2.817 10 5 EFBERN CC(C)C1(c2ccccc2)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000412794838 312014398 /nfs/dbraw/zinc/01/43/98/312014398.db2.gz CEORVCKZYGYDBR-UHFFFAOYSA-N 0 0 341.367 2.745 10 5 EFBERN CC(C)C1(c2ccccc2)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412796200 312014647 /nfs/dbraw/zinc/01/46/47/312014647.db2.gz QSDJHJIWKWUQIS-UHFFFAOYSA-N 0 0 342.399 2.618 10 5 EFBERN CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000412836824 312021601 /nfs/dbraw/zinc/02/16/01/312021601.db2.gz GUGWEDRLUCBVBY-UHFFFAOYSA-N 0 0 347.415 2.752 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000412856948 312025217 /nfs/dbraw/zinc/02/52/17/312025217.db2.gz YXXQXYGCENFDIS-AWEZNQCLSA-N 0 0 345.399 2.520 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)n1 ZINC000412898779 312032232 /nfs/dbraw/zinc/03/22/32/312032232.db2.gz OKKYTUMUTIURBI-NEPJUHHUSA-N 0 0 338.408 2.523 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000412938900 312039317 /nfs/dbraw/zinc/03/93/17/312039317.db2.gz PVJOTADPQPPCOL-OAGGEKHMSA-N 0 0 334.416 2.831 10 5 EFBERN O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)c1csc([N+](=O)[O-])c1 ZINC000412952457 312042001 /nfs/dbraw/zinc/04/20/01/312042001.db2.gz XKILRWRKADSRCE-GFCCVEGCSA-N 0 0 335.360 2.804 10 5 EFBERN O=C([O-])[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000417647849 312252480 /nfs/dbraw/zinc/25/24/80/312252480.db2.gz MFVQWCDHTHOAOK-BXKDBHETSA-N 0 0 344.314 2.787 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)C1 ZINC000420487234 312371421 /nfs/dbraw/zinc/37/14/21/312371421.db2.gz KHFOHFITNLXAQQ-QWHCGFSZSA-N 0 0 345.355 2.934 10 5 EFBERN CCc1[nH]nc(-c2nc([C@@H](Cc3ccccc3)OC)no2)c1[N+](=O)[O-] ZINC000420507431 312372438 /nfs/dbraw/zinc/37/24/38/312372438.db2.gz YILDJYCPTCYZQT-GFCCVEGCSA-N 0 0 343.343 2.861 10 5 EFBERN CC[C@H]1C[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000420614477 312376113 /nfs/dbraw/zinc/37/61/13/312376113.db2.gz ALKCLNXNTMKTNL-IUCAKERBSA-N 0 0 330.182 2.544 10 5 EFBERN COc1ccc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000426629215 312523308 /nfs/dbraw/zinc/52/33/08/312523308.db2.gz BIHFIMIQFGIJRR-SJCJKPOMSA-N 0 0 336.388 2.974 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)Nc2nccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000432421693 312564308 /nfs/dbraw/zinc/56/43/08/312564308.db2.gz ARIVXNUOJKFZSQ-NSHDSACASA-N 0 0 344.375 2.642 10 5 EFBERN C[C@H]1COCC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000432464641 312567620 /nfs/dbraw/zinc/56/76/20/312567620.db2.gz ZKRLTRCEIHZAAG-WCBMZHEXSA-N 0 0 332.278 2.768 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)CC[C@H]1C ZINC000436191778 312602855 /nfs/dbraw/zinc/60/28/55/312602855.db2.gz QGDIIQRKEMZDNP-VXGBXAGGSA-N 0 0 326.418 2.966 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@H](C)O1 ZINC000438377787 312615373 /nfs/dbraw/zinc/61/53/73/312615373.db2.gz MKLBTIJFKRVNDJ-VWYCJHECSA-N 0 0 326.780 2.815 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000438410831 312617465 /nfs/dbraw/zinc/61/74/65/312617465.db2.gz MERNUFRZPXPMHJ-RDBSUJKOSA-N 0 0 347.415 2.833 10 5 EFBERN CNc1c(C(=O)N[C@@H](C)c2ccncc2OC)cccc1[N+](=O)[O-] ZINC000438613596 312622307 /nfs/dbraw/zinc/62/23/07/312622307.db2.gz MRJXFDFDGNZCNN-JTQLQIEISA-N 0 0 330.344 2.531 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CC12CCCC2 ZINC000446909221 312659496 /nfs/dbraw/zinc/65/94/96/312659496.db2.gz WLMHYNDNIHHYAU-ZDUSSCGKSA-N 0 0 329.360 2.603 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)CC(=O)NC(C)(C)C ZINC000450228830 312691675 /nfs/dbraw/zinc/69/16/75/312691675.db2.gz VJEJNXOKAADNMD-UHFFFAOYSA-N 0 0 346.387 2.503 10 5 EFBERN CCOC(=O)[C@@](C)(CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000450476687 312696514 /nfs/dbraw/zinc/69/65/14/312696514.db2.gz QURCCQKNWKVIFE-KRWDZBQOSA-N 0 0 329.356 2.923 10 5 EFBERN COc1cc(NC[C@@H]2CS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000450571582 312710385 /nfs/dbraw/zinc/71/03/85/312710385.db2.gz ZQTWYOVMHLLRNY-LLVKDONJSA-N 0 0 348.380 2.586 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCCc2c(F)cccc21 ZINC000450570355 312710569 /nfs/dbraw/zinc/71/05/69/312710569.db2.gz ZLRLPSWAUKZDGT-AWEZNQCLSA-N 0 0 330.319 2.717 10 5 EFBERN CC(C)c1ncsc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450632019 312725267 /nfs/dbraw/zinc/72/52/67/312725267.db2.gz KAVBIMHAUDTGPN-UHFFFAOYSA-N 0 0 332.385 2.768 10 5 EFBERN CCOC(=O)c1ccnc(N2C[C@H](C3CC3)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000450791312 312747744 /nfs/dbraw/zinc/74/77/44/312747744.db2.gz IEZNGDHVRWAYOV-KGLIPLIRSA-N 0 0 331.372 2.791 10 5 EFBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000450866239 312762058 /nfs/dbraw/zinc/76/20/58/312762058.db2.gz WQDDBWJMFQIKFX-NWDGAFQWSA-N 0 0 326.356 2.768 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000450877649 312764611 /nfs/dbraw/zinc/76/46/11/312764611.db2.gz IDNUKVGPVPFUPK-TVQRCGJNSA-N 0 0 332.278 2.547 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000450877646 312764835 /nfs/dbraw/zinc/76/48/35/312764835.db2.gz IDNUKVGPVPFUPK-NOZJJQNGSA-N 0 0 332.278 2.547 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000450877650 312764866 /nfs/dbraw/zinc/76/48/66/312764866.db2.gz IDNUKVGPVPFUPK-ZANVPECISA-N 0 0 332.278 2.547 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c2ccncc21 ZINC000450880268 312765644 /nfs/dbraw/zinc/76/56/44/312765644.db2.gz KVYLRHNQQJVPPA-LKFCYVNXSA-N 0 0 341.289 2.893 10 5 EFBERN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@]2(CCOC2)C1 ZINC000450885629 312766836 /nfs/dbraw/zinc/76/68/36/312766836.db2.gz VFPNENFLZJBLFE-CYBMUJFWSA-N 0 0 342.193 2.759 10 5 EFBERN COC[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000450945399 312781217 /nfs/dbraw/zinc/78/12/17/312781217.db2.gz KXIZHSMJGOSCHK-CYBMUJFWSA-N 0 0 347.415 2.740 10 5 EFBERN C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000451001472 312793881 /nfs/dbraw/zinc/79/38/81/312793881.db2.gz HYBKUBUROKOHOP-UPJWGTAASA-N 0 0 334.372 2.582 10 5 EFBERN C[C@@](CO)(NCc1c(Cl)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000451035489 312803249 /nfs/dbraw/zinc/80/32/49/312803249.db2.gz CBGUQSJFWIOJJZ-INIZCTEOSA-N 0 0 336.775 2.951 10 5 EFBERN C[C@](CO)(NCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000451041307 312804103 /nfs/dbraw/zinc/80/41/03/312804103.db2.gz MUVLMRFPNIOQJV-MRXNPFEDSA-N 0 0 338.310 2.576 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)c2cccnc2C)cc1C ZINC000451064570 312809036 /nfs/dbraw/zinc/80/90/36/312809036.db2.gz PIRVUMRRODPJEY-UHFFFAOYSA-N 0 0 335.385 2.740 10 5 EFBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]1C1CC1 ZINC000452980030 312841997 /nfs/dbraw/zinc/84/19/97/312841997.db2.gz CTKUSBWXFBDZPN-NSHDSACASA-N 0 0 325.162 2.982 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]1C1CC1 ZINC000452980106 312842059 /nfs/dbraw/zinc/84/20/59/312842059.db2.gz CWJANYDIKBQRDZ-AWEZNQCLSA-N 0 0 336.413 2.958 10 5 EFBERN CO[C@@H](C)CCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453226819 312882553 /nfs/dbraw/zinc/88/25/53/312882553.db2.gz AMQKBHXHIHGLOE-JTQLQIEISA-N 0 0 332.360 2.970 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])CCO1 ZINC000454283161 312934935 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332.356 2.834 10 5 EFBERN C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000469208434 313120126 /nfs/dbraw/zinc/12/01/26/313120126.db2.gz CNKMKJKNVVPSLN-GFCCVEGCSA-N 0 0 333.388 2.946 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](OC)C2)cc1SC ZINC000471684376 313149818 /nfs/dbraw/zinc/14/98/18/313149818.db2.gz FXMVFHHKMGEIBK-ZJUUUORDSA-N 0 0 340.401 2.623 10 5 EFBERN O=C1C[C@@H](c2cccc(Nc3nc4ccccc4cc3[N+](=O)[O-])c2)CN1 ZINC000473520979 313198674 /nfs/dbraw/zinc/19/86/74/313198674.db2.gz DPRSHZQCGHFHEI-CQSZACIVSA-N 0 0 348.362 2.912 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000474371662 313207831 /nfs/dbraw/zinc/20/78/31/313207831.db2.gz CBWFQXIDTPOHSH-RAIGVLPGSA-N 0 0 326.418 2.958 10 5 EFBERN COc1c(C(=O)NCCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000476254395 313230734 /nfs/dbraw/zinc/23/07/34/313230734.db2.gz NXDHNJWKEXVUJN-UHFFFAOYSA-N 0 0 336.294 2.854 10 5 EFBERN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])cn1 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COc1cccc2c(=O)c3c(O)c(OC)c(OC)c(OC)c3oc12 ZINC000014648829 471876549 /nfs/dbraw/zinc/87/65/49/471876549.db2.gz ZHOIDKZROFMQSS-UHFFFAOYSA-N 0 0 332.308 2.686 10 5 biogenic,in-vitro EFBERN COc1cc(O)c2c(c1)oc1c(cc(OC)c(OC)c1OC)c2=O ZINC000014649058 471876715 /nfs/dbraw/zinc/87/67/15/471876715.db2.gz MOWPWSJKLYDJIR-UHFFFAOYSA-N 0 0 332.308 2.686 10 5 EFBERN COc1ccc(CN(C)c2ncccc2[N+](=O)[O-])c(OC)c1OC ZINC000015167506 471892745 /nfs/dbraw/zinc/89/27/45/471892745.db2.gz ZFVKTGONYOWLQT-UHFFFAOYSA-N 0 0 333.344 2.652 10 5 EFBERN O=C(NCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000015582768 471910053 /nfs/dbraw/zinc/91/00/53/471910053.db2.gz SFCCYPBKACJEEC-UHFFFAOYSA-N 0 0 342.138 2.932 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1 ZINC000016260415 471929373 /nfs/dbraw/zinc/92/93/73/471929373.db2.gz DJLFDOIMVKWFPZ-UHFFFAOYSA-N 0 0 347.396 2.552 10 5 EFBERN CN(CC(=O)Nc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018174347 471971057 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O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2ccc(F)cc2)CC1 ZINC000054126543 472060629 /nfs/dbraw/zinc/06/06/29/472060629.db2.gz BVUAGYLPYPLLFA-UHFFFAOYSA-N 0 0 347.321 2.835 10 5 EFBERN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000024724056 472064560 /nfs/dbraw/zinc/06/45/60/472064560.db2.gz SLDCBWGIXKJXBU-KGLIPLIRSA-N 0 0 343.383 2.895 10 5 EFBERN CCCCNC(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174779 472065172 /nfs/dbraw/zinc/06/51/72/472065172.db2.gz NEVKIWMIDWLDMX-UHFFFAOYSA-N 0 0 325.434 2.785 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000041488104 472065443 /nfs/dbraw/zinc/06/54/43/472065443.db2.gz JASZZKZLPRQREF-LBPRGKRZSA-N 0 0 332.360 2.969 10 5 EFBERN CC(C)(C)c1noc(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000041791960 472084387 /nfs/dbraw/zinc/08/43/87/472084387.db2.gz DXMPPDSUZLICPG-UHFFFAOYSA-N 0 0 344.371 2.797 10 5 EFBERN C[C@]1(c2ccccc2F)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O ZINC000067807951 472091933 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O=[N+]([O-])c1ccc(CCSc2nnnn2Cc2ccccc2)cc1 ZINC000042154362 472118192 /nfs/dbraw/zinc/11/81/92/472118192.db2.gz RGVLZIZZMPRSCW-UHFFFAOYSA-N 0 0 341.396 2.964 10 5 EFBERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000026123571 472123477 /nfs/dbraw/zinc/12/34/77/472123477.db2.gz IBAXGCVBBXBKNK-CYBMUJFWSA-N 0 0 328.372 2.619 10 5 EFBERN C[C@@H](Cn1cncn1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000068086851 472131942 /nfs/dbraw/zinc/13/19/42/472131942.db2.gz LHTZDFRHKGPZTR-ZDUSSCGKSA-N 0 0 331.379 2.798 10 5 EFBERN CS(=O)(=O)c1ccc(NCCc2ccsc2)c([N+](=O)[O-])c1 ZINC000042373662 472133959 /nfs/dbraw/zinc/13/39/59/472133959.db2.gz CZAKVUBURSAADN-UHFFFAOYSA-N 0 0 326.399 2.714 10 5 EFBERN CC[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000068184202 472146271 /nfs/dbraw/zinc/14/62/71/472146271.db2.gz KAHSOQZGNRJVPW-HNNXBMFYSA-N 0 0 347.371 2.888 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)nc1 ZINC000026797649 472149716 /nfs/dbraw/zinc/14/97/16/472149716.db2.gz ZXNWZWABUUPZBB-UHFFFAOYSA-N 0 0 326.356 2.771 10 5 EFBERN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000068320918 472168316 /nfs/dbraw/zinc/16/83/16/472168316.db2.gz BLLRTZWSGNGZEN-LLVKDONJSA-N 0 0 340.339 2.853 10 5 EFBERN O=C([C@H]1C[C@H]1c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000084432103 472178845 /nfs/dbraw/zinc/17/88/45/472178845.db2.gz CQYIPQTWOBCIQD-CVEARBPZSA-N 0 0 341.367 2.640 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C(C)(C)C ZINC000028046106 472210920 /nfs/dbraw/zinc/21/09/20/472210920.db2.gz LFMRXLAXMMFBIU-JTQLQIEISA-N 0 0 330.406 2.659 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000084779637 472218673 /nfs/dbraw/zinc/21/86/73/472218673.db2.gz ISNCLEQGKCOZJB-NEPJUHHUSA-N 0 0 345.355 2.538 10 5 EFBERN CN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342760 472224491 /nfs/dbraw/zinc/22/44/91/472224491.db2.gz ZDIAOFUCQPDCSN-UHFFFAOYSA-N 0 0 342.783 2.627 10 5 EFBERN COCCOc1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000055702721 472228019 /nfs/dbraw/zinc/22/80/19/472228019.db2.gz HRLGMHQVSYOHKO-UHFFFAOYSA-N 0 0 345.355 2.884 10 5 EFBERN O=C(NCc1nccn1CC(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000075962005 472228181 /nfs/dbraw/zinc/22/81/81/472228181.db2.gz PJVINVMLKWZNRV-UHFFFAOYSA-N 0 0 343.265 2.675 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000055797775 472239846 /nfs/dbraw/zinc/23/98/46/472239846.db2.gz KZKGSCMHSMITEN-OAHLLOKOSA-N 0 0 332.743 2.868 10 5 EFBERN NC(=O)C1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000043596677 472247393 /nfs/dbraw/zinc/24/73/93/472247393.db2.gz YPTLOHGIRMJQJK-UHFFFAOYSA-N 0 0 342.193 2.813 10 5 EFBERN Cc1cccc(CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)c1 ZINC000085458462 472251077 /nfs/dbraw/zinc/25/10/77/472251077.db2.gz SATHLWCDPRYKBX-UHFFFAOYSA-N 0 0 343.358 2.939 10 5 EFBERN Cc1ccccc1CC1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000085478482 472254558 /nfs/dbraw/zinc/25/45/58/472254558.db2.gz ZFFBKXCBFQFHCM-UHFFFAOYSA-N 0 0 340.379 2.983 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC(C)C)CC1 ZINC000055910553 472255622 /nfs/dbraw/zinc/25/56/22/472255622.db2.gz HGSNHMUBTFFGHU-UHFFFAOYSA-N 0 0 336.388 2.881 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCc2ccccc2C1 ZINC000068984459 472274440 /nfs/dbraw/zinc/27/44/40/472274440.db2.gz GALPZFBCSNIPOR-CQSZACIVSA-N 0 0 344.342 2.786 10 5 EFBERN CN1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000056045636 472275864 /nfs/dbraw/zinc/27/58/64/472275864.db2.gz DGOYNPWNXYBREE-CYBMUJFWSA-N 0 0 325.368 2.948 10 5 EFBERN C[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000056083880 472279861 /nfs/dbraw/zinc/27/98/61/472279861.db2.gz WJRUHLLCXFMWGP-NSHDSACASA-N 0 0 337.335 2.927 10 5 EFBERN Cc1sc(C(=O)Nc2ccc(-n3cccn3)nc2)cc1[N+](=O)[O-] ZINC000029851876 472300548 /nfs/dbraw/zinc/30/05/48/472300548.db2.gz QDGNBZCFLCYSOV-UHFFFAOYSA-N 0 0 329.341 2.798 10 5 EFBERN Cc1csc([C@@H](C)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 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Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000177677712 473415815 /nfs/dbraw/zinc/41/58/15/473415815.db2.gz GZJKYOLDFHBEKY-XMMPIXPASA-N 0 0 346.408 2.913 10 5 EFBERN CC(C)C[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185404200 473417683 /nfs/dbraw/zinc/41/76/83/473417683.db2.gz CSUHGFAODHLAGT-AWEZNQCLSA-N 0 0 347.415 2.561 10 5 EFBERN CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177706639 473420464 /nfs/dbraw/zinc/42/04/64/473420464.db2.gz USRKBEHFKYTOQG-GJZGRUSLSA-N 0 0 348.447 2.646 10 5 EFBERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151196789 473424601 /nfs/dbraw/zinc/42/46/01/473424601.db2.gz BXIBUAQFRFETCX-BXUZGUMPSA-N 0 0 331.376 2.518 10 5 EFBERN Cc1cscc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000151233927 473430126 /nfs/dbraw/zinc/43/01/26/473430126.db2.gz PMOCGFBBUIGGQV-LLVKDONJSA-N 0 0 349.368 2.801 10 5 EFBERN COC(=O)[C@@H](c1ccccc1C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000163327342 473433799 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CC[C@@H](NC(=O)C(=O)Nc1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000178057403 473463188 /nfs/dbraw/zinc/46/31/88/473463188.db2.gz SYPFRLZUBNDAJK-CQSZACIVSA-N 0 0 342.355 2.504 10 5 EFBERN Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)s1 ZINC000125885529 473468596 /nfs/dbraw/zinc/46/85/96/473468596.db2.gz VVZKMSPBBRFCDT-SECBINFHSA-N 0 0 341.414 2.936 10 5 EFBERN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000171859290 473471206 /nfs/dbraw/zinc/47/12/06/473471206.db2.gz LXNMKZAJRZFBJF-SECBINFHSA-N 0 0 343.364 2.989 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000171879786 473474894 /nfs/dbraw/zinc/47/48/94/473474894.db2.gz WOADSMBUIMQXOS-UHFFFAOYSA-N 0 0 341.776 2.777 10 5 EFBERN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CCN1CC(F)F ZINC000125958113 473474921 /nfs/dbraw/zinc/47/49/21/473474921.db2.gz JPQDEKGTDKSVLW-GFCCVEGCSA-N 0 0 341.358 2.705 10 5 EFBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000126006904 473478293 /nfs/dbraw/zinc/47/82/93/473478293.db2.gz WPQDWRZPJHLADV-UHFFFAOYSA-N 0 0 348.306 2.681 10 5 EFBERN COc1cccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c1[N+](=O)[O-] ZINC000185655603 473480582 /nfs/dbraw/zinc/48/05/82/473480582.db2.gz HNGBMCCPEZPUFY-GFCCVEGCSA-N 0 0 343.387 2.914 10 5 EFBERN CCn1cnnc1[C@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185655224 473480918 /nfs/dbraw/zinc/48/09/18/473480918.db2.gz AXTREZGPDFNLJD-LBPRGKRZSA-N 0 0 331.376 2.599 10 5 EFBERN COc1ccc(CNC(=O)COc2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000185682628 473487744 /nfs/dbraw/zinc/48/77/44/473487744.db2.gz RKMUSJWMTDRBCG-UHFFFAOYSA-N 0 0 348.330 2.746 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000171972921 473492791 /nfs/dbraw/zinc/49/27/91/473492791.db2.gz RAZBAQRUJFBCHO-JYKYSHPRSA-N 0 0 344.371 2.996 10 5 EFBERN O=C(NC/C=C/c1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000171993584 473496751 /nfs/dbraw/zinc/49/67/51/473496751.db2.gz PMUFYDHJXYMBNR-VMPITWQZSA-N 0 0 349.350 2.619 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000185749426 473503999 /nfs/dbraw/zinc/50/39/99/473503999.db2.gz OEEDMUBVTLCKOO-FQNOHDAGSA-N 0 0 346.383 2.610 10 5 EFBERN COC(=O)c1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000178398247 473505262 /nfs/dbraw/zinc/50/52/62/473505262.db2.gz IGGMOGVDGVTKNZ-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN COc1cccc([C@@H]2CN(c3nc(C)ccc3[N+](=O)[O-])CCO2)c1 ZINC000178403307 473506066 /nfs/dbraw/zinc/50/60/66/473506066.db2.gz DIUWDSKIMGDUPD-INIZCTEOSA-N 0 0 329.356 2.885 10 5 EFBERN COC(=O)c1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000178535438 473528438 /nfs/dbraw/zinc/52/84/38/473528438.db2.gz CERBLUMHGWQGFP-UHFFFAOYSA-N 0 0 342.351 2.549 10 5 EFBERN CCC1(CC)CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[S@@]1=O ZINC000613579020 480044512 /nfs/dbraw/zinc/04/45/12/480044512.db2.gz SHHAKMLREGNUCF-DEOSSOPVSA-N 0 0 348.428 2.666 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cnccn1 ZINC000172155835 473536180 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CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)n1 ZINC000191502656 473546956 /nfs/dbraw/zinc/54/69/56/473546956.db2.gz JJJLZAMNJXYOMZ-SECBINFHSA-N 0 0 338.314 2.923 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCc3ccccc32)n1 ZINC000191498384 473547198 /nfs/dbraw/zinc/54/71/98/473547198.db2.gz GRTGGATUNZMCTA-CYBMUJFWSA-N 0 0 328.372 2.661 10 5 EFBERN CN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126818726 473548167 /nfs/dbraw/zinc/54/81/67/473548167.db2.gz YVUWRMGKFVEUEF-LBPRGKRZSA-N 0 0 332.278 2.865 10 5 EFBERN Cn1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(F)(F)F)c1 ZINC000170088105 473552776 /nfs/dbraw/zinc/55/27/76/473552776.db2.gz NZFVGFRBVFQSNR-GFCCVEGCSA-N 0 0 342.277 2.549 10 5 EFBERN CC[C@@H](N[C@@H](C(=O)OC)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152384591 473556150 /nfs/dbraw/zinc/55/61/50/473556150.db2.gz IMCJUOYCXBJLBI-HZPDHXFCSA-N 0 0 329.356 2.945 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCCCc2ccccc2)n1 ZINC000191595182 473558344 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CSCCCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000185975523 473562670 /nfs/dbraw/zinc/56/26/70/473562670.db2.gz XYLGISSMURYWTR-UHFFFAOYSA-N 0 0 332.447 2.548 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCc3c(OC)cccc32)n1 ZINC000191686637 473569478 /nfs/dbraw/zinc/56/94/78/473569478.db2.gz JFJXRZYXYYWXHT-UHFFFAOYSA-N 0 0 344.371 2.803 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000186010515 473570434 /nfs/dbraw/zinc/57/04/34/473570434.db2.gz HFEXHWZWZCLXSA-UHFFFAOYSA-N 0 0 345.359 2.952 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCCO2 ZINC000170635477 473570773 /nfs/dbraw/zinc/57/07/73/473570773.db2.gz VUNGXQMLZZYAHQ-UHFFFAOYSA-N 0 0 327.340 2.970 10 5 EFBERN CCOc1ccc(C(=O)NCCc2ccccc2O)cc1[N+](=O)[O-] ZINC000178875979 473583319 /nfs/dbraw/zinc/58/33/19/473583319.db2.gz DWCHCIZAYIXPTM-UHFFFAOYSA-N 0 0 330.340 2.672 10 5 EFBERN COC(=O)C[C@](C)(NCc1ccc([N+](=O)[O-])cc1C)c1ccncc1 ZINC000191906185 473588728 /nfs/dbraw/zinc/58/87/28/473588728.db2.gz 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C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000179551432 473694045 /nfs/dbraw/zinc/69/40/45/473694045.db2.gz SHDOCVUJVRFCKC-QWHCGFSZSA-N 0 0 344.367 2.732 10 5 EFBERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000179551441 473694316 /nfs/dbraw/zinc/69/43/16/473694316.db2.gz SHDOCVUJVRFCKC-CHWSQXEVSA-N 0 0 344.367 2.732 10 5 EFBERN C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000179558254 473694711 /nfs/dbraw/zinc/69/47/11/473694711.db2.gz CYDDWFOAMXYJHF-GFCCVEGCSA-N 0 0 326.418 2.635 10 5 EFBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000179695581 473710234 /nfs/dbraw/zinc/71/02/34/473710234.db2.gz CCHGXBBEVUKFJW-ZIAGYGMSSA-N 0 0 347.415 2.692 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)COCc1ccccc1 ZINC000172959845 473713791 /nfs/dbraw/zinc/71/37/91/473713791.db2.gz FQANNRIRDVWDEP-CYBMUJFWSA-N 0 0 344.367 2.939 10 5 EFBERN C[C@H](COCc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000172968298 473715537 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CCc1nn(C)c(N2CCc3[nH]c4ccccc4c3C2)c1[N+](=O)[O-] ZINC000179876542 473747305 /nfs/dbraw/zinc/74/73/05/473747305.db2.gz UTYHCKBLQSWUGQ-UHFFFAOYSA-N 0 0 325.372 2.935 10 5 EFBERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000246134451 473786958 /nfs/dbraw/zinc/78/69/58/473786958.db2.gz PFGSMEPUMNYAEE-MCCGJVOXSA-N 0 0 338.310 2.560 10 5 EFBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180059589 473787971 /nfs/dbraw/zinc/78/79/71/473787971.db2.gz JDSPYXCBRRHOOF-STQMWFEESA-N 0 0 326.418 2.588 10 5 EFBERN Cc1ccc([C@H]2COCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246290613 473817912 /nfs/dbraw/zinc/81/79/12/473817912.db2.gz ORKXOGBXTXTGCP-HZPDHXFCSA-N 0 0 332.356 2.603 10 5 EFBERN COc1cnccc1[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000187101565 473818036 /nfs/dbraw/zinc/81/80/36/473818036.db2.gz XLOHIAVQLIJFAF-SNVBAGLBSA-N 0 0 328.328 2.990 10 5 EFBERN Nc1ccccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274426963 473818554 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EFBERN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1cc(OC)cc(OC)c1 ZINC000288071509 473839999 /nfs/dbraw/zinc/83/99/99/473839999.db2.gz GYNMAHOJRBNBGN-UHFFFAOYSA-N 0 0 334.376 2.773 10 5 EFBERN CC(C)Cn1ccnc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000173454472 473843694 /nfs/dbraw/zinc/84/36/94/473843694.db2.gz PUTSWKMBUCXFBZ-UHFFFAOYSA-N 0 0 345.403 2.789 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173454337 473844257 /nfs/dbraw/zinc/84/42/57/473844257.db2.gz CUECBPBZJQNIPR-LLVKDONJSA-N 0 0 330.388 2.615 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1CCO ZINC000187257297 473847687 /nfs/dbraw/zinc/84/76/87/473847687.db2.gz CHFZPOICUODTDK-OAHLLOKOSA-N 0 0 349.434 2.527 10 5 EFBERN O=[N+]([O-])c1cccc([C@H](O)CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000269676400 473856784 /nfs/dbraw/zinc/85/67/84/473856784.db2.gz WNROJBIPUKLFND-CVEARBPZSA-N 0 0 334.397 2.763 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2noc3c2CCCC3)c1[N+](=O)[O-] ZINC000288171260 473865563 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Cc1ncc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000288248792 473886383 /nfs/dbraw/zinc/88/63/83/473886383.db2.gz SUHAQCXSUFRHOC-UHFFFAOYSA-N 0 0 334.401 2.744 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173595464 473886730 /nfs/dbraw/zinc/88/67/30/473886730.db2.gz SKNRHPKHWFKOFZ-CYBMUJFWSA-N 0 0 345.359 2.782 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Cl)s1 ZINC000180525005 473897949 /nfs/dbraw/zinc/89/79/49/473897949.db2.gz WLJXJHZZXPEHQN-LURJTMIESA-N 0 0 326.765 2.778 10 5 EFBERN COc1cccc(C(=O)N[C@@H](c2nccs2)C2CC2)c1[N+](=O)[O-] ZINC000194471058 473903220 /nfs/dbraw/zinc/90/32/20/473903220.db2.gz HIDXZWTUIXXKNV-GFCCVEGCSA-N 0 0 333.369 2.941 10 5 EFBERN CCc1cc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)ccc1C ZINC000180576778 473909707 /nfs/dbraw/zinc/90/97/07/473909707.db2.gz HIWJGDSZEXSZFG-UHFFFAOYSA-N 0 0 341.367 2.721 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000282035186 473925705 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000282090646 473942560 /nfs/dbraw/zinc/94/25/60/473942560.db2.gz YJEWYYICQCOSDM-NHYWBVRUSA-N 0 0 337.376 2.882 10 5 EFBERN CCN(CCc1nccs1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000270000287 473949153 /nfs/dbraw/zinc/94/91/53/473949153.db2.gz OMXDHMISPWSBLL-UHFFFAOYSA-N 0 0 348.428 2.868 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSC1CCOCC1 ZINC000270026653 473959079 /nfs/dbraw/zinc/95/90/79/473959079.db2.gz GBSQXTYKZRZNAR-UHFFFAOYSA-N 0 0 340.401 2.844 10 5 EFBERN C[C@@H](Sc1nnnn1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000264371006 473966034 /nfs/dbraw/zinc/96/60/34/473966034.db2.gz MNAJXCILHHWMME-SNVBAGLBSA-N 0 0 335.389 2.786 10 5 EFBERN CC(C)c1ccc(C(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000188067868 473971092 /nfs/dbraw/zinc/97/10/92/473971092.db2.gz MMCSPEUCRJBZJC-UHFFFAOYSA-N 0 0 329.360 2.827 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000174013121 473972301 /nfs/dbraw/zinc/97/23/01/473972301.db2.gz 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EFBERN Cc1csc([C@@H]2COCCN2c2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000189136952 474303539 /nfs/dbraw/zinc/30/35/39/474303539.db2.gz NYKJFRBJCMYQOQ-NSHDSACASA-N 0 0 340.792 2.986 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H]2CCCC[C@H]21 ZINC000248389932 474304125 /nfs/dbraw/zinc/30/41/25/474304125.db2.gz SSRIEPJUJQSIPS-KGYLQXTDSA-N 0 0 332.356 2.974 10 5 EFBERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000183058563 474316314 /nfs/dbraw/zinc/31/63/14/474316314.db2.gz NGFPKCBALGRNDB-GFCCVEGCSA-N 0 0 330.348 2.780 10 5 EFBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000283142314 474317601 /nfs/dbraw/zinc/31/76/01/474317601.db2.gz UPIUZCMNUJFSHZ-OAHLLOKOSA-N 0 0 345.403 2.879 10 5 EFBERN CCc1nn(C)c(Nc2ccc3c(c2)CCC(=O)N3CC)c1[N+](=O)[O-] ZINC000289553318 474321846 /nfs/dbraw/zinc/32/18/46/474321846.db2.gz GKZPSOQUWQOZJE-UHFFFAOYSA-N 0 0 343.387 2.933 10 5 EFBERN COc1ccc(F)cc1CNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000189203527 474324037 /nfs/dbraw/zinc/32/40/37/474324037.db2.gz HMGCFJIEZAAQON-UHFFFAOYSA-N 0 0 336.319 2.747 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248444350 474324725 /nfs/dbraw/zinc/32/47/25/474324725.db2.gz WCPSRCMCLVNLLP-UHOFOFEASA-N 0 0 338.429 2.935 10 5 EFBERN CC[C@H](C)[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000275812152 474328357 /nfs/dbraw/zinc/32/83/57/474328357.db2.gz CRGJCLYAGCDTAV-ISVAXAHUSA-N 0 0 342.779 2.874 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000183136746 474334870 /nfs/dbraw/zinc/33/48/70/474334870.db2.gz DZAUIYIZUKLUJW-MRXNPFEDSA-N 0 0 348.399 2.719 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000270961724 474340112 /nfs/dbraw/zinc/34/01/12/474340112.db2.gz GUJOLVILEMCULI-GFCCVEGCSA-N 0 0 346.412 2.583 10 5 EFBERN CCNc1ccc(Cl)cc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000183157395 474340868 /nfs/dbraw/zinc/34/08/68/474340868.db2.gz ZJHDHXAAPQSSOT-UHFFFAOYSA-N 0 0 337.767 2.974 10 5 EFBERN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000248515384 474345652 /nfs/dbraw/zinc/34/56/52/474345652.db2.gz FWMCVEHMKZDYML-MAZHCROVSA-N 0 0 334.372 2.691 10 5 EFBERN Cc1cc(C)c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000265811572 474345720 /nfs/dbraw/zinc/34/57/20/474345720.db2.gz PPNVPDKBVJFIHT-UHFFFAOYSA-N 0 0 343.383 2.906 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC([C@@H](C)O)CC1 ZINC000265841772 474358883 /nfs/dbraw/zinc/35/88/83/474358883.db2.gz NXLOCLJDNNIWQR-SNVBAGLBSA-N 0 0 340.351 2.508 10 5 EFBERN CC(C)CC(=O)Nc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000270997728 474359958 /nfs/dbraw/zinc/35/99/58/474359958.db2.gz LEIRUXNUMMOWTO-UHFFFAOYSA-N 0 0 345.359 2.565 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000283306775 474367067 /nfs/dbraw/zinc/36/70/67/474367067.db2.gz YTPSANZKHSEXQU-JTQLQIEISA-N 0 0 346.309 2.523 10 5 EFBERN COCCn1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000275967663 474375582 /nfs/dbraw/zinc/37/55/82/474375582.db2.gz WQWUIPLGEIBGPZ-UHFFFAOYSA-N 0 0 338.751 2.652 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@H](C)O1 ZINC000634023014 480099778 /nfs/dbraw/zinc/09/97/78/480099778.db2.gz BGGAMQVVRDBMEE-PEBVRCNWSA-N 0 0 336.391 2.977 10 5 EFBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000283401266 474393469 /nfs/dbraw/zinc/39/34/69/474393469.db2.gz MBUDVVABEVNULH-HNNXBMFYSA-N 0 0 345.403 2.879 10 5 EFBERN CCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000271069613 474395454 /nfs/dbraw/zinc/39/54/54/474395454.db2.gz XXBWLCHVDNCAQA-HNNXBMFYSA-N 0 0 342.399 2.738 10 5 EFBERN CC(C)N(CCc1nccs1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183587018 474396676 /nfs/dbraw/zinc/39/66/76/474396676.db2.gz GABKFSVPYFTSOO-UHFFFAOYSA-N 0 0 335.389 2.931 10 5 EFBERN CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176174343 474401225 /nfs/dbraw/zinc/40/12/25/474401225.db2.gz CYICFDIPQFUSAT-CZUORRHYSA-N 0 0 334.420 2.687 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCc1nccs1 ZINC000289735037 474401281 /nfs/dbraw/zinc/40/12/81/474401281.db2.gz LVTBOGMMWWXFCC-UHFFFAOYSA-N 0 0 336.373 2.814 10 5 EFBERN Cc1nc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N)c2)no1 ZINC000176195126 474405016 /nfs/dbraw/zinc/40/50/16/474405016.db2.gz DIQUYYIFIPTRNT-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN COc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000189503267 474422898 /nfs/dbraw/zinc/42/28/98/474422898.db2.gz ZRXNBZFGZVOKBN-KSSFIOAISA-N 0 0 348.399 2.679 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000183775325 474427160 /nfs/dbraw/zinc/42/71/60/474427160.db2.gz SVLSXCIYGKZLDL-CQSZACIVSA-N 0 0 342.399 2.883 10 5 EFBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189532691 474435657 /nfs/dbraw/zinc/43/56/57/474435657.db2.gz LSJWKGOIBXMUOI-UHFFFAOYSA-N 0 0 340.339 2.839 10 5 EFBERN CC(C)c1nnc2n1CCN(CCOc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000189557612 474439779 /nfs/dbraw/zinc/43/97/79/474439779.db2.gz RMICDXZGHFMDRZ-CYBMUJFWSA-N 0 0 345.403 2.765 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189561826 474441470 /nfs/dbraw/zinc/44/14/70/474441470.db2.gz OZNSUXDDDFDBHH-LBPRGKRZSA-N 0 0 345.403 2.895 10 5 EFBERN CO[C@H](C)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000276191865 474446660 /nfs/dbraw/zinc/44/66/60/474446660.db2.gz MIXCIPKHQYXMGD-NKWVEPMBSA-N 0 0 349.156 2.650 10 5 EFBERN CO[C@@H](C)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000276191860 474446954 /nfs/dbraw/zinc/44/69/54/474446954.db2.gz MIXCIPKHQYXMGD-BQBZGAKWSA-N 0 0 349.156 2.650 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000266692343 474450071 /nfs/dbraw/zinc/45/00/71/474450071.db2.gz DVTPSNDLLJZZEX-UONOGXRCSA-N 0 0 335.404 2.731 10 5 EFBERN COc1cnccc1[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000189655168 474456183 /nfs/dbraw/zinc/45/61/83/474456183.db2.gz UBWMPWFJWKBGEK-GFCCVEGCSA-N 0 0 329.356 2.727 10 5 EFBERN CC[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)C[C@H](C)O1 ZINC000283675602 474464416 /nfs/dbraw/zinc/46/44/16/474464416.db2.gz GRPXBFURXOATNZ-WFASDCNBSA-N 0 0 345.403 2.877 10 5 EFBERN Nc1ccc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000276239778 474465009 /nfs/dbraw/zinc/46/50/09/474465009.db2.gz PFFZHWKHTZMYME-UHFFFAOYSA-N 0 0 333.779 2.552 10 5 EFBERN CCOc1cccc(N[C@H]2CCCN(c3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000184123805 474476378 /nfs/dbraw/zinc/47/63/78/474476378.db2.gz CAGNETWLLPOYSA-ZDUSSCGKSA-N 0 0 345.403 2.808 10 5 EFBERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc([N+](=O)[O-])c3N)c21 ZINC000176474777 474485087 /nfs/dbraw/zinc/48/50/87/474485087.db2.gz VSJBMMMXNJPBBA-UHFFFAOYSA-N 0 0 338.367 2.939 10 5 EFBERN Cc1cc(N(C)[C@H]2CCN(c3ccccc3)C2=O)ncc1[N+](=O)[O-] ZINC000266807810 474489258 /nfs/dbraw/zinc/48/92/58/474489258.db2.gz DXQJDWPZFVVSDI-AWEZNQCLSA-N 0 0 326.356 2.540 10 5 EFBERN CCN1C[C@@H](CN(C)c2ccncc2[N+](=O)[O-])Oc2ccccc21 ZINC000608971241 480107683 /nfs/dbraw/zinc/10/76/83/480107683.db2.gz FESLEGNRHXCLBL-CYBMUJFWSA-N 0 0 328.372 2.714 10 5 EFBERN CO[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000276351065 474507276 /nfs/dbraw/zinc/50/72/76/474507276.db2.gz YAFQGGSSMCBFOT-IAQYHMDHSA-N 0 0 338.379 2.895 10 5 EFBERN Cc1nc(CN2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cs1 ZINC000266859059 474507483 /nfs/dbraw/zinc/50/74/83/474507483.db2.gz WCKWOMVYDQYWKF-UHFFFAOYSA-N 0 0 347.444 2.775 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)n1 ZINC000271372488 474515098 /nfs/dbraw/zinc/51/50/98/474515098.db2.gz IDODDVIHMDARBL-CQSZACIVSA-N 0 0 334.351 2.985 10 5 EFBERN CCOc1ccccc1[C@@H](CC)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271374281 474516495 /nfs/dbraw/zinc/51/64/95/474516495.db2.gz IPCQRHYGCLIIEF-GFCCVEGCSA-N 0 0 332.360 2.608 10 5 EFBERN CC(C)Nc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cn1 ZINC000289993546 474519844 /nfs/dbraw/zinc/51/98/44/474519844.db2.gz FENDQNFUNQAARI-UHFFFAOYSA-N 0 0 340.343 2.846 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000184468803 474520455 /nfs/dbraw/zinc/52/04/55/474520455.db2.gz YBMCAEZOAGMMFS-JKSUJKDBSA-N 0 0 346.408 2.818 10 5 EFBERN COC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000283979910 474541112 /nfs/dbraw/zinc/54/11/12/474541112.db2.gz FSVRIQBSQBPUSO-HNNXBMFYSA-N 0 0 331.328 2.980 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CCCc2ccccc2)n1 ZINC000271437462 474546365 /nfs/dbraw/zinc/54/63/65/474546365.db2.gz SPUAXOUAXXSQEU-OAHLLOKOSA-N 0 0 342.399 2.956 10 5 EFBERN CSc1ccc(C(=O)Nc2nnc(C3CCC3)[nH]2)cc1[N+](=O)[O-] ZINC000184561369 474547979 /nfs/dbraw/zinc/54/79/79/474547979.db2.gz DUHWDTHHVVTEIT-UHFFFAOYSA-N 0 0 333.373 2.955 10 5 EFBERN Cc1cccc2c1OCC[C@H]2NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000190149254 474555796 /nfs/dbraw/zinc/55/57/96/474555796.db2.gz IZNAAFRVTXZPEF-CQSZACIVSA-N 0 0 342.351 2.922 10 5 EFBERN COC(=O)[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1C ZINC000276473290 474556508 /nfs/dbraw/zinc/55/65/08/474556508.db2.gz MZVVUCLEALNGGQ-KRWDZBQOSA-N 0 0 328.368 2.777 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000271460690 474557444 /nfs/dbraw/zinc/55/74/44/474557444.db2.gz XCXRFDWCUOVRAU-SFHVURJKSA-N 0 0 342.399 2.813 10 5 EFBERN CCC(CC)(CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000271466541 474559993 /nfs/dbraw/zinc/55/99/93/474559993.db2.gz YBGLXKKUDFTFDZ-UHFFFAOYSA-N 0 0 330.388 2.816 10 5 EFBERN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)c2ccccc21 ZINC000190216550 474564835 /nfs/dbraw/zinc/56/48/35/474564835.db2.gz VACCUARNLRTFDK-GFCCVEGCSA-N 0 0 340.383 2.531 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000271477962 474565459 /nfs/dbraw/zinc/56/54/59/474565459.db2.gz ZZWAVWZNFRUZIH-LLVKDONJSA-N 0 0 334.763 2.611 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000184670853 474579127 /nfs/dbraw/zinc/57/91/27/474579127.db2.gz NQARVGVUUSJSLB-NKSUMMKUSA-N 0 0 341.371 2.549 10 5 EFBERN COc1cccc(N2CC[C@H](CNc3ncc([N+](=O)[O-])s3)C2)c1 ZINC000190323880 474579677 /nfs/dbraw/zinc/57/96/77/474579677.db2.gz HPYOASAEROPKAU-LLVKDONJSA-N 0 0 334.401 2.998 10 5 EFBERN CO[C@H]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000190361157 474587325 /nfs/dbraw/zinc/58/73/25/474587325.db2.gz YSUDCUJTXBKQBI-CJNGLKHVSA-N 0 0 333.388 2.836 10 5 EFBERN COC(=O)[C@H](C)N(C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000190368819 474589407 /nfs/dbraw/zinc/58/94/07/474589407.db2.gz ULTXLFLFLDFOKH-YLSINNKHSA-N 0 0 346.383 2.941 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(OC)n1 ZINC000184717622 474593087 /nfs/dbraw/zinc/59/30/87/474593087.db2.gz GCWAEGYBOMNTBN-AWEZNQCLSA-N 0 0 343.383 2.884 10 5 EFBERN CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000267113147 474593284 /nfs/dbraw/zinc/59/32/84/474593284.db2.gz ROUUHUVFPPGFNC-JTQLQIEISA-N 0 0 349.347 2.658 10 5 EFBERN CC[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@@H]1O ZINC000277994025 474598934 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O=[N+]([O-])c1ccc(NCCCNc2ccc(C(F)(F)F)cn2)cn1 ZINC000344410644 474727815 /nfs/dbraw/zinc/72/78/15/474727815.db2.gz BQGKRLUPNSXWRL-UHFFFAOYSA-N 0 0 341.293 2.740 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000291877131 474729069 /nfs/dbraw/zinc/72/90/69/474729069.db2.gz MIXCIPKHQYXMGD-RQJHMYQMSA-N 0 0 349.156 2.650 10 5 EFBERN CN(C)C(=O)[C@H]1CCC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278602452 474731306 /nfs/dbraw/zinc/73/13/06/474731306.db2.gz ZNEYBULDAYRGOH-QWRGUYRKSA-N 0 0 331.376 2.530 10 5 EFBERN COc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000337143388 474736425 /nfs/dbraw/zinc/73/64/25/474736425.db2.gz VFRJXVJGICHSDC-UHFFFAOYSA-N 0 0 346.339 2.938 10 5 EFBERN COC(=O)N(C)CCCC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000267983985 474737584 /nfs/dbraw/zinc/73/75/84/474737584.db2.gz OUSZZWCVOCTXFS-LBPRGKRZSA-N 0 0 338.360 2.986 10 5 EFBERN COc1ccccc1N1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344424065 474744169 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CO[C@H](C)c1nccn1C ZINC000340940155 474800535 /nfs/dbraw/zinc/80/05/35/474800535.db2.gz RYALBPRGSRPLLN-GFCCVEGCSA-N 0 0 332.360 2.661 10 5 EFBERN CC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000292011410 474800343 /nfs/dbraw/zinc/80/03/43/474800343.db2.gz SAXLDHRYERFROV-AQXOFRPNSA-N 0 0 333.413 2.879 10 5 EFBERN COCCCOc1ccc(Nc2ccncc2[N+](=O)[O-])cc1OC ZINC000340940333 474801561 /nfs/dbraw/zinc/80/15/61/474801561.db2.gz CJKGWFYJENOCSK-UHFFFAOYSA-N 0 0 333.344 2.579 10 5 EFBERN Cc1ccc2[nH]c(CNC(=O)NCc3ccccc3[N+](=O)[O-])nc2c1 ZINC000340951000 474810891 /nfs/dbraw/zinc/81/08/91/474810891.db2.gz IBXKAFYNUFBLBL-UHFFFAOYSA-N 0 0 339.355 2.779 10 5 EFBERN COc1cc(N2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])cc1F ZINC000273265215 474812479 /nfs/dbraw/zinc/81/24/79/474812479.db2.gz ZOADBUWROIBFCM-LLVKDONJSA-N 0 0 340.351 2.722 10 5 EFBERN COC(=O)c1cc(C(=O)N2CCCC[C@H]2C(F)F)cc([N+](=O)[O-])c1 ZINC000337245728 474821240 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C[C@H](NCc1c(Br)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000278796383 474841253 /nfs/dbraw/zinc/84/12/53/474841253.db2.gz RCYKSPVIIBVHSO-VIFPVBQESA-N 0 0 339.193 2.942 10 5 EFBERN CC(C)(C)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1O ZINC000273321636 474842053 /nfs/dbraw/zinc/84/20/53/474842053.db2.gz PKNARFJYMWZXHG-MLGOLLRUSA-N 0 0 347.415 2.713 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000345044345 474842254 /nfs/dbraw/zinc/84/22/54/474842254.db2.gz OJTDHPQSDIPKQM-VGTOOOLASA-N 0 0 341.367 2.860 10 5 EFBERN CCCC(=O)N[C@H]1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000268177723 474845552 /nfs/dbraw/zinc/84/55/52/474845552.db2.gz SCRDQVVSDDFVPE-NSHDSACASA-N 0 0 339.367 2.628 10 5 EFBERN C[C@H]1CC[C@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278816685 474851981 /nfs/dbraw/zinc/85/19/81/474851981.db2.gz ZCNIZOWWTYDCHL-QWRGUYRKSA-N 0 0 331.376 2.801 10 5 EFBERN COc1ccccc1N1CC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000268201873 474860094 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COC(=O)c1cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc(C)c1[N+](=O)[O-] ZINC000268453536 474988173 /nfs/dbraw/zinc/98/81/73/474988173.db2.gz BHHYHSWCHGOZDC-KCPJHIHWSA-N 0 0 334.372 2.915 10 5 EFBERN Cn1c(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000337414156 474992168 /nfs/dbraw/zinc/99/21/68/474992168.db2.gz YNNLITHNHJZREE-AWEZNQCLSA-N 0 0 331.347 2.920 10 5 EFBERN COC(=O)c1cc(NC[C@H](O)c2ccc(C)o2)cc(C)c1[N+](=O)[O-] ZINC000268467994 474997884 /nfs/dbraw/zinc/99/78/84/474997884.db2.gz HCMAJQBEEUOKSP-ZDUSSCGKSA-N 0 0 334.328 2.737 10 5 EFBERN COC(=O)c1cc(NCCC(=O)N2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000268472859 475000780 /nfs/dbraw/zinc/00/07/80/475000780.db2.gz IKWZGHXUNYKCEQ-UHFFFAOYSA-N 0 0 349.387 2.504 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(CCCO)c1 ZINC000326431766 475006144 /nfs/dbraw/zinc/00/61/44/475006144.db2.gz OXHLDVDBRRLUET-UHFFFAOYSA-N 0 0 330.340 2.537 10 5 EFBERN COCCN(CC(C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341139949 475019935 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Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)n1 ZINC000345311076 475082743 /nfs/dbraw/zinc/08/27/43/475082743.db2.gz YHOPVFXKSGKTRZ-UHFFFAOYSA-N 0 0 327.300 2.599 10 5 EFBERN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000629145309 480145072 /nfs/dbraw/zinc/14/50/72/480145072.db2.gz OYRYKYXNRKEYMV-KUHUBIRLSA-N 0 0 348.402 2.979 10 5 EFBERN O=C(NCCCc1nccs1)NCCc1cccc([N+](=O)[O-])c1 ZINC000292572272 475094910 /nfs/dbraw/zinc/09/49/10/475094910.db2.gz RMQQUGMLDFIWLA-UHFFFAOYSA-N 0 0 334.401 2.526 10 5 EFBERN COc1cc(C(=O)Nc2ccc3nc(C)cn3c2)ccc1[N+](=O)[O-] ZINC000339275493 475110598 /nfs/dbraw/zinc/11/05/98/475110598.db2.gz OGQSKNLWJCGZPI-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C(C)C)[C@H]2CCOC2)c1 ZINC000292649605 475134057 /nfs/dbraw/zinc/13/40/57/475134057.db2.gz BHXNNNSELPSHPO-AWEZNQCLSA-N 0 0 336.388 2.698 10 5 EFBERN CCc1nnc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH]1 ZINC000295965418 475145729 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349.431 2.940 10 5 EFBERN COCC[C@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000337608923 475180416 /nfs/dbraw/zinc/18/04/16/475180416.db2.gz SJCWROZQHHKFMI-KGLIPLIRSA-N 0 0 349.431 2.986 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000296060458 475184150 /nfs/dbraw/zinc/18/41/50/475184150.db2.gz ZTGCMUBBCICDKH-GFCCVEGCSA-N 0 0 330.743 2.614 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000341615945 475187617 /nfs/dbraw/zinc/18/76/17/475187617.db2.gz PNBSFMPLLKEOBU-AWEZNQCLSA-N 0 0 349.387 2.579 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000287536836 475188005 /nfs/dbraw/zinc/18/80/05/475188005.db2.gz BJBHICBUVVRHMQ-SECBINFHSA-N 0 0 329.303 2.932 10 5 EFBERN C[C@@]12CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000292777240 475192899 /nfs/dbraw/zinc/19/28/99/475192899.db2.gz JFIPNEPKKOVHHR-DZGCQCFKSA-N 0 0 340.326 2.867 10 5 EFBERN COC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000341645106 475203426 /nfs/dbraw/zinc/20/34/26/475203426.db2.gz ZWYCQFKXQFUDNM-HNNXBMFYSA-N 0 0 343.383 2.819 10 5 EFBERN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000292817264 475207898 /nfs/dbraw/zinc/20/78/98/475207898.db2.gz DPNKOCUKWRQDCI-CXAGYDPISA-N 0 0 343.383 2.559 10 5 EFBERN O=C(NCCc1cccc2[nH]ccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000337650270 475212455 /nfs/dbraw/zinc/21/24/55/475212455.db2.gz JQGZDCNFRCRZID-UHFFFAOYSA-N 0 0 349.350 2.925 10 5 EFBERN Cc1cc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n(C)n1 ZINC000341691480 475226225 /nfs/dbraw/zinc/22/62/25/475226225.db2.gz CRVYYGJFEGNCEJ-UHFFFAOYSA-N 0 0 342.277 2.586 10 5 EFBERN Cc1cccc2[nH]c(CNC(=O)NCc3ccccc3[N+](=O)[O-])nc21 ZINC000345511443 475230030 /nfs/dbraw/zinc/23/00/30/475230030.db2.gz OOBUSYXROYIILK-UHFFFAOYSA-N 0 0 339.355 2.779 10 5 EFBERN O=C(NCCc1cnc(C2CC2)nc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000339466681 475234636 /nfs/dbraw/zinc/23/46/36/475234636.db2.gz LBSYCZLDJNTAMV-UHFFFAOYSA-N 0 0 346.774 2.888 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000361167333 475238557 /nfs/dbraw/zinc/23/85/57/475238557.db2.gz QEEBLMNUZYQWID-CQSZACIVSA-N 0 0 342.351 2.863 10 5 EFBERN C[C@H]1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC000341709082 475239936 /nfs/dbraw/zinc/23/99/36/475239936.db2.gz BLYSGALJXDUABJ-YUMQZZPRSA-N 0 0 329.150 2.721 10 5 EFBERN O=C(Cc1cncs1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341722993 475252584 /nfs/dbraw/zinc/25/25/84/475252584.db2.gz RXFIAJIOWDQMIH-UHFFFAOYSA-N 0 0 342.174 2.995 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000341727272 475255755 /nfs/dbraw/zinc/25/57/55/475255755.db2.gz NGYMUWUYAPANOI-NSHDSACASA-N 0 0 348.403 2.622 10 5 EFBERN CO[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000341728940 475257129 /nfs/dbraw/zinc/25/71/29/475257129.db2.gz GCDXUVQIIMJVGR-HNNXBMFYSA-N 0 0 346.387 2.952 10 5 EFBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(C(C)C)[nH]1 ZINC000296302758 475259690 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NC(=O)c1ccc(CN(CC(F)F)CC2CCC2)c([N+](=O)[O-])c1 ZINC000341753586 475275121 /nfs/dbraw/zinc/27/51/21/475275121.db2.gz GVZKXKZOTQTUCB-UHFFFAOYSA-N 0 0 327.331 2.561 10 5 EFBERN CCOC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000345573011 475275195 /nfs/dbraw/zinc/27/51/95/475275195.db2.gz SVHYPDLJDXZKAE-UHFFFAOYSA-N 0 0 334.372 2.899 10 5 EFBERN COc1ccc(C(C)(C)CNc2ccncc2[N+](=O)[O-])cc1OC ZINC000357945560 475281263 /nfs/dbraw/zinc/28/12/63/475281263.db2.gz QBIYHLRMXVIBRC-UHFFFAOYSA-N 0 0 331.372 2.819 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000296356345 475281943 /nfs/dbraw/zinc/28/19/43/475281943.db2.gz UNKQMILZHLAEEE-CQSZACIVSA-N 0 0 328.372 2.860 10 5 EFBERN COC(=O)[C@@H](CNc1ncccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000357948626 475285757 /nfs/dbraw/zinc/28/57/57/475285757.db2.gz RZMJDSNRARHQRQ-GFCCVEGCSA-N 0 0 333.319 2.573 10 5 EFBERN CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000341773393 475291073 /nfs/dbraw/zinc/29/10/73/475291073.db2.gz 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Cc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1[N+](=O)[O-] ZINC000341842079 475348073 /nfs/dbraw/zinc/34/80/73/475348073.db2.gz RENIKZRHDYWBHK-UHFFFAOYSA-N 0 0 343.314 2.581 10 5 EFBERN CCOc1ccc(CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000341842964 475348911 /nfs/dbraw/zinc/34/89/11/475348911.db2.gz QXCQDRCAYJAJBS-UHFFFAOYSA-N 0 0 345.355 2.518 10 5 EFBERN CCOC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)C ZINC000354706508 475349011 /nfs/dbraw/zinc/34/90/11/475349011.db2.gz LOJOKRJOOFTGMO-NSHDSACASA-N 0 0 346.330 2.987 10 5 EFBERN O=C(Cc1ccccc1)N1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000337823445 475354027 /nfs/dbraw/zinc/35/40/27/475354027.db2.gz RUDHXJPURAXZGR-INIZCTEOSA-N 0 0 340.383 2.635 10 5 EFBERN O=C(NCc1ncccc1O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000352516050 475371830 /nfs/dbraw/zinc/37/18/30/475371830.db2.gz JDUKFBLMFWDOGM-UHFFFAOYSA-N 0 0 345.358 2.712 10 5 EFBERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354743507 475376341 /nfs/dbraw/zinc/37/63/41/475376341.db2.gz WANJUKXFIDYWFE-CRAIPNDOSA-N 0 0 341.367 2.646 10 5 EFBERN CCOc1ccc(C(=O)Nc2cc(CCOC)ccn2)cc1[N+](=O)[O-] ZINC000341889369 475384474 /nfs/dbraw/zinc/38/44/74/475384474.db2.gz RHSYNPNHQFUYHK-UHFFFAOYSA-N 0 0 345.355 2.830 10 5 EFBERN CC(C)[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000348100072 475389610 /nfs/dbraw/zinc/38/96/10/475389610.db2.gz XSZUCVQPLBSRJK-LBPRGKRZSA-N 0 0 348.277 2.683 10 5 EFBERN O=C(Cn1cc(Nc2c(F)cccc2[N+](=O)[O-])cn1)NC1CCCC1 ZINC000341927044 475419593 /nfs/dbraw/zinc/41/95/93/475419593.db2.gz KHOQFIVTYUKZPR-UHFFFAOYSA-N 0 0 347.350 2.733 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CCC2)n1C ZINC000352571321 475421958 /nfs/dbraw/zinc/42/19/58/475421958.db2.gz TWZTUBCGMFMMKL-UHFFFAOYSA-N 0 0 329.404 2.665 10 5 EFBERN CCOc1ccc(C(=O)NCc2c(C)onc2CC)cc1[N+](=O)[O-] ZINC000354808569 475426181 /nfs/dbraw/zinc/42/61/81/475426181.db2.gz RBMJKOMKQZIOBF-UHFFFAOYSA-N 0 0 333.344 2.782 10 5 EFBERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000354808210 475427424 /nfs/dbraw/zinc/42/74/24/475427424.db2.gz PHZFTISZXFUUPH-ZDUSSCGKSA-N 0 0 342.399 2.863 10 5 EFBERN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000361413934 475431050 /nfs/dbraw/zinc/43/10/50/475431050.db2.gz SVLLIEONWDRMCS-UHFFFAOYSA-N 0 0 338.726 2.729 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1Cc2cc(Cl)ccc2O1 ZINC000361427878 475442445 /nfs/dbraw/zinc/44/24/45/475442445.db2.gz GHBQKCYDJPAPHG-MRXNPFEDSA-N 0 0 346.770 2.911 10 5 EFBERN Cc1cn(CC(=O)Nc2ccnn2CC2CCCCC2)nc1[N+](=O)[O-] ZINC000337933752 475444008 /nfs/dbraw/zinc/44/40/08/475444008.db2.gz CGDWZFIMWWDGBL-UHFFFAOYSA-N 0 0 346.391 2.515 10 5 EFBERN COC(=O)Cc1ccc(NCC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000296739015 475455054 /nfs/dbraw/zinc/45/50/54/475455054.db2.gz JMFVXILQVGKBAH-UHFFFAOYSA-N 0 0 348.399 2.665 10 5 EFBERN Cc1ccn2ncc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])c2n1 ZINC000345802707 475464576 /nfs/dbraw/zinc/46/45/76/475464576.db2.gz KLYGSZKTLJMTRK-UHFFFAOYSA-N 0 0 339.355 2.611 10 5 EFBERN CSc1c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000345803768 475465194 /nfs/dbraw/zinc/46/51/94/475465194.db2.gz KYTYULZLXLJLQN-UHFFFAOYSA-N 0 0 334.401 2.715 10 5 EFBERN C[C@H](NC(=O)C1CCCC1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000337975615 475476901 /nfs/dbraw/zinc/47/69/01/475476901.db2.gz CVUHZWOROZAZKF-RYUDHWBXSA-N 0 0 345.399 2.567 10 5 EFBERN CC(C)(NC(=O)[C@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000345818211 475479759 /nfs/dbraw/zinc/47/97/59/475479759.db2.gz ZHJLOTZCYWICNE-NSHDSACASA-N 0 0 328.372 2.789 10 5 EFBERN CO[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(O)cc1 ZINC000361482521 475484517 /nfs/dbraw/zinc/48/45/17/475484517.db2.gz BFIGCSVPFKNGJS-MRXNPFEDSA-N 0 0 328.324 2.577 10 5 EFBERN CNc1c(C(=O)NCCc2cc(C)c(O)c(C)c2)cccc1[N+](=O)[O-] ZINC000348208894 475488509 /nfs/dbraw/zinc/48/85/09/475488509.db2.gz HFNIHPMWBPQXBW-UHFFFAOYSA-N 0 0 343.383 2.931 10 5 EFBERN COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1OC ZINC000337997482 475492515 /nfs/dbraw/zinc/49/25/15/475492515.db2.gz ZBQXAGKUJDYIAV-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN CC(=O)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)n(C)c1 ZINC000352651321 475494109 /nfs/dbraw/zinc/49/41/09/475494109.db2.gz GVXURCTUJVBUGA-JTQLQIEISA-N 0 0 327.340 2.727 10 5 EFBERN COc1cnc(NC(=O)c2ccc([N+](=O)[O-])o2)c(Br)c1 ZINC000345851386 475509338 /nfs/dbraw/zinc/50/93/38/475509338.db2.gz JAPODZUDFBUMNH-UHFFFAOYSA-N 0 0 342.105 2.606 10 5 EFBERN CC[C@@H](NC(=O)[C@H]1CCCc2nccn21)c1cccc([N+](=O)[O-])c1 ZINC000354910754 475511053 /nfs/dbraw/zinc/51/10/53/475511053.db2.gz CMHAFDBRPOTWBR-HUUCEWRRSA-N 0 0 328.372 2.936 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000338018330 475511075 /nfs/dbraw/zinc/51/10/75/475511075.db2.gz MJXKFIXAVKKPLR-UHFFFAOYSA-N 0 0 328.324 2.904 10 5 EFBERN O=c1ccccn1Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000352691087 475534325 /nfs/dbraw/zinc/53/43/25/475534325.db2.gz ZZYMUIZPGYNAMJ-UHFFFAOYSA-N 0 0 336.351 2.812 10 5 EFBERN Cc1[nH]nc2nc(C)cc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])c12 ZINC000342056321 475538473 /nfs/dbraw/zinc/53/84/73/475538473.db2.gz CHGVZNPZGKPGFK-SNVBAGLBSA-N 0 0 339.355 2.974 10 5 EFBERN C/C=C\C[C@@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)OCC ZINC000361548817 475539653 /nfs/dbraw/zinc/53/96/53/475539653.db2.gz HNKYMLKWAYYGBY-HJHHMULASA-N 0 0 334.372 2.785 10 5 EFBERN C/C=C\C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000361548534 475539681 /nfs/dbraw/zinc/53/96/81/475539681.db2.gz ZHDRYKWDZPFKFR-KTLBGCOUSA-N 0 0 340.763 2.876 10 5 EFBERN Cc1nc2ccnn2c(C)c1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342058736 475539787 /nfs/dbraw/zinc/53/97/87/475539787.db2.gz RNMKTXBQTLKVDC-SNVBAGLBSA-N 0 0 339.355 2.745 10 5 EFBERN C/C=C/C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000361548536 475540282 /nfs/dbraw/zinc/54/02/82/475540282.db2.gz ZHDRYKWDZPFKFR-PYEVWLCESA-N 0 0 340.763 2.876 10 5 EFBERN C/C=C/C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC ZINC000361550410 475541504 /nfs/dbraw/zinc/54/15/04/475541504.db2.gz MLUNVKJUBMBNIR-UJAVWCLSSA-N 0 0 345.355 2.704 10 5 EFBERN CC(C)[C@H](CO)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000345962219 475547179 /nfs/dbraw/zinc/54/71/79/475547179.db2.gz RGSAETODPAUAHI-ZDUSSCGKSA-N 0 0 338.407 2.676 10 5 EFBERN O=c1c2ccccc2[nH]c2ccc(-c3nc(Cn4cccn4)no3)cc21 ZINC000345993763 475549837 /nfs/dbraw/zinc/54/98/37/475549837.db2.gz PRWBWKYEVZYCMK-UHFFFAOYSA-N 0 0 343.346 2.976 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCCC(C)(F)F ZINC000296963148 475554783 /nfs/dbraw/zinc/55/47/83/475554783.db2.gz HTLZDRDUCGHLMM-UHFFFAOYSA-N 0 0 340.323 2.756 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000361576648 475562597 /nfs/dbraw/zinc/56/25/97/475562597.db2.gz IWXDZZBNGDZQBU-SNVBAGLBSA-N 0 0 327.406 2.600 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000361576647 475562658 /nfs/dbraw/zinc/56/26/58/475562658.db2.gz IWXDZZBNGDZQBU-JTQLQIEISA-N 0 0 327.406 2.600 10 5 EFBERN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cn[nH]c1 ZINC000339860793 475567888 /nfs/dbraw/zinc/56/78/88/475567888.db2.gz NKIUYUKOCZCZPY-LLVKDONJSA-N 0 0 329.360 2.753 10 5 EFBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000338081415 475572592 /nfs/dbraw/zinc/57/25/92/475572592.db2.gz APKAPCQIBYRTKT-OAHLLOKOSA-N 0 0 345.330 2.863 10 5 EFBERN Cc1ccccc1C1=CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000354993133 475585586 /nfs/dbraw/zinc/58/55/86/475585586.db2.gz GQJPEESILJONRW-UHFFFAOYSA-N 0 0 340.383 2.761 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)F)cc2F)n1 ZINC000338099804 475587414 /nfs/dbraw/zinc/58/74/14/475587414.db2.gz MRPRTBJANJSHAO-UHFFFAOYSA-N 0 0 344.249 2.804 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000348324664 475592671 /nfs/dbraw/zinc/59/26/71/475592671.db2.gz KQNIAGSTEYURRT-STQMWFEESA-N 0 0 334.372 2.635 10 5 EFBERN O=C(NCc1nc2ccccc2n1C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000352756582 475593892 /nfs/dbraw/zinc/59/38/92/475593892.db2.gz DURKKBGGQRUQAB-UHFFFAOYSA-N 0 0 325.328 2.538 10 5 EFBERN O=C(NCCCOC(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000338110933 475596667 /nfs/dbraw/zinc/59/66/67/475596667.db2.gz SVVFAVOSNHUEBJ-UHFFFAOYSA-N 0 0 342.220 2.973 10 5 EFBERN CCOc1ccc(C(=O)NCCC2(COC)CCC2)cc1[N+](=O)[O-] ZINC000355046558 475624013 /nfs/dbraw/zinc/62/40/13/475624013.db2.gz PNNXKWQAZHDRAW-UHFFFAOYSA-N 0 0 336.388 2.930 10 5 EFBERN CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000346518138 475627586 /nfs/dbraw/zinc/62/75/86/475627586.db2.gz YBFCIATZNFKAKD-WDEREUQCSA-N 0 0 348.446 2.528 10 5 EFBERN O=[N+]([O-])c1ccccc1CN1CCO[C@H](COc2ccccc2)C1 ZINC000361648840 475628453 /nfs/dbraw/zinc/62/84/53/475628453.db2.gz UYPOSXLMILENET-KRWDZBQOSA-N 0 0 328.368 2.875 10 5 EFBERN COC(=O)c1cc(C)nc(N(C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000339968827 475649196 /nfs/dbraw/zinc/64/91/96/475649196.db2.gz IMEDYBWDPXPELF-UHFFFAOYSA-N 0 0 333.319 2.860 10 5 EFBERN CCOc1cccc(CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1 ZINC000339969930 475650602 /nfs/dbraw/zinc/65/06/02/475650602.db2.gz ZLDMUSSNYXKHHI-UHFFFAOYSA-N 0 0 345.355 2.518 10 5 EFBERN C[C@H]1COCC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346580394 475675918 /nfs/dbraw/zinc/67/59/18/475675918.db2.gz UEWVFVWVEDAZPA-GXFFZTMASA-N 0 0 326.780 2.580 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2nc[nH]c2cc1F ZINC000343003104 475690356 /nfs/dbraw/zinc/69/03/56/475690356.db2.gz VWHLHSSMAMRPCV-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000343008123 475695247 /nfs/dbraw/zinc/69/52/47/475695247.db2.gz NGNPRATWDVOAEJ-SNVBAGLBSA-N 0 0 347.375 2.726 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000346609650 475698514 /nfs/dbraw/zinc/69/85/14/475698514.db2.gz PBUCJAOEAPLAJM-UHFFFAOYSA-N 0 0 325.284 2.543 10 5 EFBERN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC(CCO)C1 ZINC000343018372 475700242 /nfs/dbraw/zinc/70/02/42/475700242.db2.gz VKYCTVGGAQSTCJ-UHFFFAOYSA-N 0 0 341.367 2.793 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]2COCC[C@H]21 ZINC000346627793 475714507 /nfs/dbraw/zinc/71/45/07/475714507.db2.gz VCDHTGVIFBSVKM-SWLSCSKDSA-N 0 0 341.367 2.784 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(F)ccc2OC)n1 ZINC000343047625 475719514 /nfs/dbraw/zinc/71/95/14/475719514.db2.gz NIUVDIMMCOIRKP-UHFFFAOYSA-N 0 0 335.291 2.536 10 5 EFBERN COC(=O)c1ccccc1CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343046944 475720182 /nfs/dbraw/zinc/72/01/82/475720182.db2.gz UFCSLCOSVQMFPZ-GFCCVEGCSA-N 0 0 342.351 2.801 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3F)C2)n1 ZINC000355188430 475727088 /nfs/dbraw/zinc/72/70/88/475727088.db2.gz TXJPGMJPRHYREB-NSHDSACASA-N 0 0 332.335 2.580 10 5 EFBERN Cc1cccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000358506585 475734957 /nfs/dbraw/zinc/73/49/57/475734957.db2.gz IUJDADWAEPSLQN-UHFFFAOYSA-N 0 0 326.399 2.785 10 5 EFBERN Cc1cc(C)n(-c2cncc(NCCc3cccc([N+](=O)[O-])c3)n2)n1 ZINC000340079828 475741926 /nfs/dbraw/zinc/74/19/26/475741926.db2.gz UECBHXSOVWULAV-UHFFFAOYSA-N 0 0 338.371 2.842 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)[C@@H](O)C(F)F ZINC000297414057 475749126 /nfs/dbraw/zinc/74/91/26/475749126.db2.gz NMCNXXNDGDSCID-CMPLNLGQSA-N 0 0 331.319 2.683 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000355215937 475753402 /nfs/dbraw/zinc/75/34/02/475753402.db2.gz ONLIGPLQKMTLQT-SNVBAGLBSA-N 0 0 331.328 2.585 10 5 EFBERN CC(=O)N(C)c1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000358536224 475754581 /nfs/dbraw/zinc/75/45/81/475754581.db2.gz MCEJEDJAMNQYMG-UHFFFAOYSA-N 0 0 327.340 2.759 10 5 EFBERN CC[C@H](C)n1ncc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1C ZINC000358541943 475757729 /nfs/dbraw/zinc/75/77/29/475757729.db2.gz OOZMWEBMJNKZQE-LBPRGKRZSA-N 0 0 345.403 2.913 10 5 EFBERN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000343089615 475760031 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COc1cc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000358592822 475794209 /nfs/dbraw/zinc/79/42/09/475794209.db2.gz OTPMVCJSTKHJBS-OCCSQVGLSA-N 0 0 326.299 2.721 10 5 EFBERN C[C@@H]1Cc2ccccc2[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348646154 475799130 /nfs/dbraw/zinc/79/91/30/475799130.db2.gz SHIUSMZKEACULE-BZNIZROVSA-N 0 0 332.381 2.807 10 5 EFBERN Cc1ccsc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000358601899 475800427 /nfs/dbraw/zinc/80/04/27/475800427.db2.gz NLYUGQPTELSPTO-UHFFFAOYSA-N 0 0 332.428 2.547 10 5 EFBERN COc1cccc(C2(CNC(=O)c3cc([N+](=O)[O-])cnc3C)CC2)c1 ZINC000355292854 475803717 /nfs/dbraw/zinc/80/37/17/475803717.db2.gz CDLANNILFJFECX-UHFFFAOYSA-N 0 0 341.367 2.768 10 5 EFBERN C[NH+](C)C1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCCCCC1 ZINC000348666353 475806945 /nfs/dbraw/zinc/80/69/45/475806945.db2.gz VUJSPHBPTVGMLW-UHFFFAOYSA-N 0 0 335.404 2.685 10 5 EFBERN CC[C@H](O)CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000358630202 475821830 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ZINC000359039183 476136750 /nfs/dbraw/zinc/13/67/50/476136750.db2.gz IYEIGVJTJFGJRU-LLVKDONJSA-N 0 0 344.314 2.837 10 5 EFBERN C[C@H]1COCC[C@@H]1c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000350326194 476138470 /nfs/dbraw/zinc/13/84/70/476138470.db2.gz VZKLTCGYKZLXPH-ONGXEEELSA-N 0 0 347.327 2.556 10 5 EFBERN CCO[C@@H]1C[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356860091 476140022 /nfs/dbraw/zinc/14/00/22/476140022.db2.gz NCBAWTBFOUUTKT-GHMZBOCLSA-N 0 0 329.150 2.721 10 5 EFBERN C[C@@](O)(CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000356859059 476140233 /nfs/dbraw/zinc/14/02/33/476140233.db2.gz MYQHKPZFKYWERH-CYBMUJFWSA-N 0 0 343.177 2.847 10 5 EFBERN CN(Cc1ccccn1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359043984 476140245 /nfs/dbraw/zinc/14/02/45/476140245.db2.gz RZIKUDZZYMGULO-UHFFFAOYSA-N 0 0 337.282 2.863 10 5 EFBERN Cc1cc(=O)[nH]c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000340602668 476143664 /nfs/dbraw/zinc/14/36/64/476143664.db2.gz XMJOILRXCCGGRE-UHFFFAOYSA-N 0 0 329.356 2.757 10 5 EFBERN C[C@]1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000347167652 476143639 /nfs/dbraw/zinc/14/36/39/476143639.db2.gz KXMGCLWKPGVLKK-LBPRGKRZSA-N 0 0 344.165 2.658 10 5 EFBERN COc1ccc(CN2CCN(c3cnccc3C)CC2)cc1[N+](=O)[O-] ZINC000340604376 476144455 /nfs/dbraw/zinc/14/44/55/476144455.db2.gz SEVQBXUAVNEUHH-UHFFFAOYSA-N 0 0 342.399 2.629 10 5 EFBERN Cc1cc(NC(=O)CSCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000347170745 476144507 /nfs/dbraw/zinc/14/45/07/476144507.db2.gz ONNJANPGPWLFRM-UHFFFAOYSA-N 0 0 340.401 2.917 10 5 EFBERN CN(CC(C)(C)O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347183716 476156601 /nfs/dbraw/zinc/15/66/01/476156601.db2.gz LLTVBRHPOLPWJU-UHFFFAOYSA-N 0 0 346.181 2.592 10 5 EFBERN CN(CCOCC1CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359069692 476162397 /nfs/dbraw/zinc/16/23/97/476162397.db2.gz PNBCGKLFJQOUIR-UHFFFAOYSA-N 0 0 344.314 2.695 10 5 EFBERN O=C([O-])[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCc2ccccc2C1 ZINC000336877634 476162671 /nfs/dbraw/zinc/16/26/71/476162671.db2.gz RRSZINBEEVDUSM-SFHVURJKSA-N 0 0 326.352 2.697 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nc([C@@H]2CN3CCCC[C@H]3CO2)no1 ZINC000350404418 476170016 /nfs/dbraw/zinc/17/00/16/476170016.db2.gz TWIXMYAVMKTIEP-FZMZJTMJSA-N 0 0 330.344 2.571 10 5 EFBERN CO[C@@H]1CC[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353668087 476172758 /nfs/dbraw/zinc/17/27/58/476172758.db2.gz FPNDNGOXOOBXMP-FVQBIDKESA-N 0 0 330.388 2.575 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](OCc3ccccn3)C2)n1 ZINC000359084957 476174882 /nfs/dbraw/zinc/17/48/82/476174882.db2.gz RTZVZNDAHXPDAL-OAHLLOKOSA-N 0 0 328.372 2.797 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](O)COc2ccc(F)cc2)n1 ZINC000359087186 476175356 /nfs/dbraw/zinc/17/53/56/476175356.db2.gz WZHKGBYCCMKHDE-ZDUSSCGKSA-N 0 0 335.335 2.598 10 5 EFBERN CO[C@@](C)(c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1)C1CC1 ZINC000350417007 476176075 /nfs/dbraw/zinc/17/60/75/476176075.db2.gz AXTHUFUWYFRHDL-OAHLLOKOSA-N 0 0 329.316 2.793 10 5 EFBERN C[C@H](CCCO)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347218368 476179947 /nfs/dbraw/zinc/17/99/47/476179947.db2.gz NSUULBNLURQATR-MRVPVSSYSA-N 0 0 346.181 2.640 10 5 EFBERN COc1ccc(CN(c2ccc3ncc([N+](=O)[O-])n3n2)C2CC2)cc1 ZINC000301835617 476180318 /nfs/dbraw/zinc/18/03/18/476180318.db2.gz LGKOAOBMZQERBI-UHFFFAOYSA-N 0 0 339.355 2.815 10 5 EFBERN CCOC(=O)c1cnn(-c2nc(C)cc(C)c2[N+](=O)[O-])c1C(F)F ZINC000359092533 476181431 /nfs/dbraw/zinc/18/14/31/476181431.db2.gz IOKFAZJIXVDEHK-UHFFFAOYSA-N 0 0 340.286 2.907 10 5 EFBERN Cn1ccnc1[C@@H](NC[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000353678938 476181526 /nfs/dbraw/zinc/18/15/26/476181526.db2.gz FDBJJXZZQMWPRT-HOTGVXAUSA-N 0 0 344.415 2.965 10 5 EFBERN COc1cc(NC[C@@H]2COc3ccccc3O2)c(F)cc1[N+](=O)[O-] ZINC000301914555 476181939 /nfs/dbraw/zinc/18/19/39/476181939.db2.gz CZWVDGKXDFONDM-SNVBAGLBSA-N 0 0 334.303 2.994 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000301914624 476182204 /nfs/dbraw/zinc/18/22/04/476182204.db2.gz UYSFFGTYXDBUIJ-LBPRGKRZSA-N 0 0 339.355 2.509 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(CO)c1cccc(O)c1 ZINC000344250763 476183521 /nfs/dbraw/zinc/18/35/21/476183521.db2.gz LKTWMQJPQQWNCK-QGZVFWFLSA-N 0 0 345.355 2.638 10 5 EFBERN CNC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348876 476187364 /nfs/dbraw/zinc/18/73/64/476187364.db2.gz OKCARBCIFHFHEM-CQSZACIVSA-N 0 0 344.346 2.511 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCCCc2nnc3n2CCCCC3)n1 ZINC000359103517 476191115 /nfs/dbraw/zinc/19/11/15/476191115.db2.gz TYWSFHKNCFSHHG-UHFFFAOYSA-N 0 0 344.419 2.969 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1(C(F)(F)F)CC1 ZINC000344260602 476194948 /nfs/dbraw/zinc/19/49/48/476194948.db2.gz KGZLIJSLSRMDLG-UHFFFAOYSA-N 0 0 347.293 2.745 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000359111535 476197449 /nfs/dbraw/zinc/19/74/49/476197449.db2.gz WDZYMXYAMXDAPG-CYBMUJFWSA-N 0 0 326.356 2.824 10 5 EFBERN Cc1nccc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000359114211 476201192 /nfs/dbraw/zinc/20/11/92/476201192.db2.gz DKUVAIALVMGCHX-UHFFFAOYSA-N 0 0 333.369 2.993 10 5 EFBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000362376977 476205268 /nfs/dbraw/zinc/20/52/68/476205268.db2.gz WBTSFGFSHYSFBR-PSTGCABASA-N 0 0 346.387 2.634 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000344273518 476205898 /nfs/dbraw/zinc/20/58/98/476205898.db2.gz PVSSDTCXMXKUGW-SECBINFHSA-N 0 0 343.177 2.514 10 5 EFBERN Cc1c(NC(=O)c2nn(C)cc2[N+](=O)[O-])cccc1-c1ncco1 ZINC000359131438 476206267 /nfs/dbraw/zinc/20/62/67/476206267.db2.gz QZRNHQKEGISYQV-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ccsc1 ZINC000353711019 476209902 /nfs/dbraw/zinc/20/99/02/476209902.db2.gz LZIQRSODRKAOQX-UHFFFAOYSA-N 0 0 333.369 2.642 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1Sc1nc(C(=O)OC)cs1 ZINC000338817076 476211258 /nfs/dbraw/zinc/21/12/58/476211258.db2.gz UJEDXFQTVOBSHM-UHFFFAOYSA-N 0 0 328.375 2.514 10 5 EFBERN C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)c1ncc([N+](=O)[O-])s1 ZINC000336933750 476215374 /nfs/dbraw/zinc/21/53/74/476215374.db2.gz RPSCVJFYRCXJDO-MLGOLLRUSA-N 0 0 349.412 2.598 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000344286098 476216410 /nfs/dbraw/zinc/21/64/10/476216410.db2.gz KXGPHIYHHIBTQY-SECBINFHSA-N 0 0 332.278 2.770 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ncccc2-n2cccn2)no1 ZINC000350503976 476217014 /nfs/dbraw/zinc/21/70/14/476217014.db2.gz TWWKICQFQMUFPV-UHFFFAOYSA-N 0 0 349.310 2.596 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000362395255 476219930 /nfs/dbraw/zinc/21/99/30/476219930.db2.gz HXVYILCWYFHSJE-RHSMWYFYSA-N 0 0 332.400 2.801 10 5 EFBERN CO[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000347272596 476220561 /nfs/dbraw/zinc/22/05/61/476220561.db2.gz YGONRUZPIKNUPO-LLVKDONJSA-N 0 0 331.166 2.967 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1OCc1cn(-c2ccccc2)nn1 ZINC000338839090 476227233 /nfs/dbraw/zinc/22/72/33/476227233.db2.gz FEBSTGVZFRPJIK-UHFFFAOYSA-N 0 0 326.312 2.763 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000338840658 476227757 /nfs/dbraw/zinc/22/77/57/476227757.db2.gz KUNCLJGEQSVNHA-OIISXLGYSA-N 0 0 344.371 2.825 10 5 EFBERN Cc1ccccc1-c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)no1 ZINC000353733808 476227861 /nfs/dbraw/zinc/22/78/61/476227861.db2.gz BKEQNWLVAOHINM-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000357098036 476229511 /nfs/dbraw/zinc/22/95/11/476229511.db2.gz JJQRIABAOMNSGZ-KDOFPFPSSA-N 0 0 347.415 2.814 10 5 EFBERN C[C@@H](NC(=O)NCc1ncnn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000336962262 476231762 /nfs/dbraw/zinc/23/17/62/476231762.db2.gz CWFXRDYOZGWWBL-LLVKDONJSA-N 0 0 346.391 2.502 10 5 EFBERN COCC(C)(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347289087 476233553 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O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CCOC1 ZINC000344331203 476256708 /nfs/dbraw/zinc/25/67/08/476256708.db2.gz UIKFPDPALYXUPE-SNVBAGLBSA-N 0 0 344.820 2.883 10 5 EFBERN O=C(NCC[C@H]1CCOC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344331471 476257635 /nfs/dbraw/zinc/25/76/35/476257635.db2.gz UXMLKAQLGZYISY-NSHDSACASA-N 0 0 347.396 2.875 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000337043079 476276980 /nfs/dbraw/zinc/27/69/80/476276980.db2.gz JSIXKAGLIJHLBL-CZUORRHYSA-N 0 0 342.399 2.701 10 5 EFBERN CC[C@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000337043077 476277085 /nfs/dbraw/zinc/27/70/85/476277085.db2.gz JSIXKAGLIJHLBL-BBRMVZONSA-N 0 0 342.399 2.701 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H](C)c2ccc3ncsc3c2)c1[N+](=O)[O-] ZINC000362502788 476286261 /nfs/dbraw/zinc/28/62/61/476286261.db2.gz OKGGXONQVTZBDM-SSDOTTSWSA-N 0 0 331.357 2.727 10 5 EFBERN Cc1cc(N2CCCC[C@@H]2CN2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000360048704 476287211 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EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1COc2ccccc2C1 ZINC000362572117 476313342 /nfs/dbraw/zinc/31/33/42/476313342.db2.gz DSBITEPJDXVUKF-LLVKDONJSA-N 0 0 348.305 2.535 10 5 EFBERN CC[C@H](NC(=O)Cc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000362582658 476317416 /nfs/dbraw/zinc/31/74/16/476317416.db2.gz APXSVZJXVWOFOT-INIZCTEOSA-N 0 0 341.367 2.504 10 5 EFBERN O=C(Cc1noc([C@H]2CC=CCC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000350985320 476320013 /nfs/dbraw/zinc/32/00/13/476320013.db2.gz BJOFTPBORSEQEQ-ZDUSSCGKSA-N 0 0 342.355 2.660 10 5 EFBERN CC[C@]1(C)C[C@@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000351002393 476322169 /nfs/dbraw/zinc/32/21/69/476322169.db2.gz YJQJLFXXZVPXAD-CXAGYDPISA-N 0 0 344.371 2.740 10 5 EFBERN CCOc1ccc(C(=O)N2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000353916336 476323614 /nfs/dbraw/zinc/32/36/14/476323614.db2.gz WWYMCCXDXCTZEB-UHFFFAOYSA-N 0 0 333.369 2.649 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000353936901 476330642 /nfs/dbraw/zinc/33/06/42/476330642.db2.gz DHEXCXXFIMVMSM-LLVKDONJSA-N 0 0 329.360 2.559 10 5 EFBERN COc1ccccc1CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357321637 476330975 /nfs/dbraw/zinc/33/09/75/476330975.db2.gz AVWFHVOHSDNCOJ-UHFFFAOYSA-N 0 0 340.339 2.757 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nc4c(cccc4F)o3)C2)nc1 ZINC000362643608 476338336 /nfs/dbraw/zinc/33/83/36/476338336.db2.gz NQWLUOXENIDREX-SNVBAGLBSA-N 0 0 343.318 2.961 10 5 EFBERN CO[C@@H]1COCC[C@@H]1Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000351139992 476345834 /nfs/dbraw/zinc/34/58/34/476345834.db2.gz AZDGLQCWQMQMIT-BXUZGUMPSA-N 0 0 333.344 2.547 10 5 EFBERN Cc1cn2c(n1)CN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000360717210 476351351 /nfs/dbraw/zinc/35/13/51/476351351.db2.gz WBOMSLMAXKURLD-ZDUSSCGKSA-N 0 0 343.387 2.695 10 5 EFBERN Cc1cc(CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000353999175 476352453 /nfs/dbraw/zinc/35/24/53/476352453.db2.gz YYMIQMUZUGLMDQ-MRXNPFEDSA-N 0 0 341.371 2.546 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000357384755 476352704 /nfs/dbraw/zinc/35/27/04/476352704.db2.gz UCQUPLZDHPDOOY-MWLCHTKSSA-N 0 0 348.325 2.679 10 5 EFBERN Cc1cc(NC(=O)c2ccnc(C3CC3)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360728624 476354989 /nfs/dbraw/zinc/35/49/89/476354989.db2.gz FMIPZXBEPGCJRD-UHFFFAOYSA-N 0 0 349.350 2.793 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000360733365 476357540 /nfs/dbraw/zinc/35/75/40/476357540.db2.gz VARNLCRVKZGTFO-UHFFFAOYSA-N 0 0 339.351 2.691 10 5 EFBERN O=C(c1cc2ccccc2c2cccnc12)N1CC(n2ccnn2)C1 ZINC000368604648 476359301 /nfs/dbraw/zinc/35/93/01/476359301.db2.gz QZQHGIREXOUGKM-UHFFFAOYSA-N 0 0 329.363 2.677 10 5 EFBERN COC(=O)c1coc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1 ZINC000357401292 476360530 /nfs/dbraw/zinc/36/05/30/476360530.db2.gz OONSQZXLTSQJDL-UHFFFAOYSA-N 0 0 343.295 2.924 10 5 EFBERN CNC(=O)c1ccc(N2CCCC[C@@H](CCOC)C2)c([N+](=O)[O-])c1 ZINC000368768954 476368764 /nfs/dbraw/zinc/36/87/64/476368764.db2.gz ZGTDXFQSHZNWLN-ZDUSSCGKSA-N 0 0 335.404 2.597 10 5 EFBERN COC[C@@H]1CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354021495 476370410 /nfs/dbraw/zinc/37/04/10/476370410.db2.gz GNAAPHREVZQAAB-LBPRGKRZSA-N 0 0 333.369 2.579 10 5 EFBERN O=[N+]([O-])c1c(NCC[C@H]2COc3ccccc3O2)nc2sccn21 ZINC000360782911 476383966 /nfs/dbraw/zinc/38/39/66/476383966.db2.gz RKBBKFPUBDEUED-JTQLQIEISA-N 0 0 346.368 2.946 10 5 EFBERN CC(=O)N(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000362745735 476384627 /nfs/dbraw/zinc/38/46/27/476384627.db2.gz PYVSDRROVDEGQN-UHFFFAOYSA-N 0 0 328.328 2.533 10 5 EFBERN CCCN1C[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)CC1=O ZINC000351271261 476389435 /nfs/dbraw/zinc/38/94/35/476389435.db2.gz AHIRMYPGIFUAFR-LLVKDONJSA-N 0 0 330.344 2.679 10 5 EFBERN CC(C)Oc1cc(-c2nc(Cc3cncn3C)no2)ccc1[N+](=O)[O-] ZINC000351272999 476389692 /nfs/dbraw/zinc/38/96/92/476389692.db2.gz LHZPSYSCLOFDOG-UHFFFAOYSA-N 0 0 343.343 2.756 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCc2c1cccc2O ZINC000362762108 476393982 /nfs/dbraw/zinc/39/39/82/476393982.db2.gz FPFUBEXDLBJAQH-OAHLLOKOSA-N 0 0 348.305 2.925 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000357454451 476394529 /nfs/dbraw/zinc/39/45/29/476394529.db2.gz GYBRFOZBYDNCMW-CYBMUJFWSA-N 0 0 332.335 2.758 10 5 EFBERN CCCN1C[C@@H](c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)CC1=O ZINC000351285215 476396402 /nfs/dbraw/zinc/39/64/02/476396402.db2.gz UOQVIJXLKYEYSZ-VIFPVBQESA-N 0 0 334.307 2.510 10 5 EFBERN CCCN1C[C@H](c2noc(-c3cc([N+](=O)[O-])c(C)cc3C)n2)CC1=O ZINC000351296788 476401566 /nfs/dbraw/zinc/40/15/66/476401566.db2.gz OBSYEVCXQMBFRF-GFCCVEGCSA-N 0 0 344.371 2.988 10 5 EFBERN Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)nn1 ZINC000351295240 476401691 /nfs/dbraw/zinc/40/16/91/476401691.db2.gz XGECOECLLZRSCJ-UHFFFAOYSA-N 0 0 338.327 2.768 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362782377 476404570 /nfs/dbraw/zinc/40/45/70/476404570.db2.gz QSRYROFZMNVITN-ZDUSSCGKSA-N 0 0 342.351 2.863 10 5 EFBERN COc1cc(Cc2noc([C@@H](C)c3cncnc3)n2)ccc1[N+](=O)[O-] ZINC000351307803 476405472 /nfs/dbraw/zinc/40/54/72/476405472.db2.gz WIJRIBNDRXIVBB-JTQLQIEISA-N 0 0 341.327 2.519 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1NS(C)(=O)=O ZINC000357478811 476408138 /nfs/dbraw/zinc/40/81/38/476408138.db2.gz QMLCGTXTVZYUOD-UHFFFAOYSA-N 0 0 349.368 2.527 10 5 EFBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@]2(CCOC2)O1 ZINC000373647479 476419334 /nfs/dbraw/zinc/41/93/34/476419334.db2.gz MNDFDNDXUOBXHB-ACJLOTCBSA-N 0 0 343.383 2.917 10 5 EFBERN C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000357507764 476420313 /nfs/dbraw/zinc/42/03/13/476420313.db2.gz YLSPVUPIVONYBW-PWSUYJOCSA-N 0 0 330.344 2.659 10 5 EFBERN CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000373768849 476426728 /nfs/dbraw/zinc/42/67/28/476426728.db2.gz SVEIDNKUIUBHCH-CQSZACIVSA-N 0 0 329.360 2.574 10 5 EFBERN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000373768847 476426899 /nfs/dbraw/zinc/42/68/99/476426899.db2.gz SVEIDNKUIUBHCH-AWEZNQCLSA-N 0 0 329.360 2.574 10 5 EFBERN CCN1C[C@@H](c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)CC1=O ZINC000351380824 476431557 /nfs/dbraw/zinc/43/15/57/476431557.db2.gz FFTPUVJXEGBAPI-JTQLQIEISA-N 0 0 342.311 2.727 10 5 EFBERN O=[N+]([O-])c1ccc2oc(-c3nc(COC[C@H]4CCOC4)no3)cc2c1 ZINC000351401188 476441303 /nfs/dbraw/zinc/44/13/03/476441303.db2.gz GXJOVSLZUNUCDB-JTQLQIEISA-N 0 0 345.311 2.944 10 5 EFBERN O=[N+]([O-])c1ccccc1Cc1noc(Cc2cn3c(n2)CCCC3)n1 ZINC000351402736 476443019 /nfs/dbraw/zinc/44/30/19/476443019.db2.gz DFLFLIPHHXFUBX-UHFFFAOYSA-N 0 0 339.355 2.692 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CCCC[C@@H](CO)C1 ZINC000374107428 476454327 /nfs/dbraw/zinc/45/43/27/476454327.db2.gz OKQIPKLHLVDFPV-SNVBAGLBSA-N 0 0 329.194 2.956 10 5 EFBERN COc1ccc(C)nc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362871522 476454748 /nfs/dbraw/zinc/45/47/48/476454748.db2.gz BKDXCAQPDMALJJ-UHFFFAOYSA-N 0 0 337.282 2.766 10 5 EFBERN C[C@H]1CCCc2ncc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)n21 ZINC000351439508 476459314 /nfs/dbraw/zinc/45/93/14/476459314.db2.gz YMCMUXYSLGVNHY-JTQLQIEISA-N 0 0 340.343 2.724 10 5 EFBERN O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc(COC[C@@H]3CCOC3)no2)cc1 ZINC000351451026 476463231 /nfs/dbraw/zinc/46/32/31/476463231.db2.gz QUKSTYOPIZBHBC-BYCMXARLSA-N 0 0 345.355 2.802 10 5 EFBERN O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc(COC[C@H]3CCOC3)no2)cc1 ZINC000351451028 476463521 /nfs/dbraw/zinc/46/35/21/476463521.db2.gz QUKSTYOPIZBHBC-TUKIKUTGSA-N 0 0 345.355 2.802 10 5 EFBERN Cc1ccc(C)c(N2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)c1 ZINC000360908219 476468501 /nfs/dbraw/zinc/46/85/01/476468501.db2.gz FOTGOKXXYBEOEY-UHFFFAOYSA-N 0 0 342.399 2.513 10 5 EFBERN C[C@]1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)OCCc2sccc21 ZINC000357584962 476471286 /nfs/dbraw/zinc/47/12/86/476471286.db2.gz UMBQBYCAOVQDQR-MRXNPFEDSA-N 0 0 344.396 2.855 10 5 EFBERN COC(=O)c1cc(N2CCC([C@H]3CCOC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000363650285 476476802 /nfs/dbraw/zinc/47/68/02/476476802.db2.gz GERHDYLTUGMEQS-AWEZNQCLSA-N 0 0 348.399 2.943 10 5 EFBERN C[C@@H]1COCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000362916106 476478927 /nfs/dbraw/zinc/47/89/27/476478927.db2.gz DXKPDYUIZITPKS-NOZJJQNGSA-N 0 0 346.305 2.902 10 5 EFBERN C[C@@]1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCO1 ZINC000362917065 476480209 /nfs/dbraw/zinc/48/02/09/476480209.db2.gz JLUKDQXLNXZWSY-ZDUSSCGKSA-N 0 0 332.278 2.799 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000362921884 476482535 /nfs/dbraw/zinc/48/25/35/476482535.db2.gz KNRJKZAXQLKSQD-JTQLQIEISA-N 0 0 334.344 2.759 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000362924581 476485078 /nfs/dbraw/zinc/48/50/78/476485078.db2.gz YTSZWGUVUACQLU-JTQLQIEISA-N 0 0 334.344 2.759 10 5 EFBERN Cc1cc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000363679636 476491630 /nfs/dbraw/zinc/49/16/30/476491630.db2.gz WKVMWSBHNDESJD-CQSZACIVSA-N 0 0 340.383 2.585 10 5 EFBERN Cc1cc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000363679631 476491890 /nfs/dbraw/zinc/49/18/90/476491890.db2.gz WKVMWSBHNDESJD-AWEZNQCLSA-N 0 0 340.383 2.585 10 5 EFBERN CNc1c(C(=O)NCCC[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000360945234 476493661 /nfs/dbraw/zinc/49/36/61/476493661.db2.gz QVLROUAVXVHMGQ-IUODEOHRSA-N 0 0 335.404 2.698 10 5 EFBERN CNC(=O)c1ccc(N2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000363775661 476498078 /nfs/dbraw/zinc/49/80/78/476498078.db2.gz KEBXZRYBVBKKQF-KRWDZBQOSA-N 0 0 347.415 2.740 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000374711511 476498329 /nfs/dbraw/zinc/49/83/29/476498329.db2.gz REIWHZMOMAMWEI-CYBMUJFWSA-N 0 0 329.331 2.834 10 5 EFBERN CCN(CCc1nccs1)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000360954083 476501733 /nfs/dbraw/zinc/50/17/33/476501733.db2.gz KYQXONOUADCPSE-UHFFFAOYSA-N 0 0 334.401 2.798 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCCc3nc(C)sc32)c1[N+](=O)[O-] ZINC000374727536 476505136 /nfs/dbraw/zinc/50/51/36/476505136.db2.gz BPZLSQFLAVFBJI-LLVKDONJSA-N 0 0 349.416 2.843 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(S(C)(=O)=O)cc1 ZINC000360965338 476510687 /nfs/dbraw/zinc/51/06/87/476510687.db2.gz DWRIOEHCNLDMCK-UHFFFAOYSA-N 0 0 341.414 2.674 10 5 EFBERN Cc1cc(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)ccc1[N+](=O)[O-] ZINC000354223475 476517066 /nfs/dbraw/zinc/51/70/66/476517066.db2.gz STTBAOCJHHFKRX-UHFFFAOYSA-N 0 0 347.396 2.696 10 5 EFBERN CCC(=O)[C@@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362990989 476518171 /nfs/dbraw/zinc/51/81/71/476518171.db2.gz SKTWAXAKGRTGIC-AWEZNQCLSA-N 0 0 340.326 2.776 10 5 EFBERN COC(=O)c1cc(NC(=O)N2CCC23CCC3)c(C)c([N+](=O)[O-])c1 ZINC000362997478 476521440 /nfs/dbraw/zinc/52/14/40/476521440.db2.gz PXQFLCVNHXLHJP-UHFFFAOYSA-N 0 0 333.344 2.850 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2ccccn2)CC1 ZINC000369784236 476522205 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC1(F)CCC1 ZINC000357760925 476584502 /nfs/dbraw/zinc/58/45/02/476584502.db2.gz JRBURTOKEDHAOE-UHFFFAOYSA-N 0 0 337.351 2.549 10 5 EFBERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cccc(-n2cccn2)c1 ZINC000354322802 476586746 /nfs/dbraw/zinc/58/67/46/476586746.db2.gz XNMQKYLJHJIFCX-UHFFFAOYSA-N 0 0 330.731 2.644 10 5 EFBERN COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000361084608 476589040 /nfs/dbraw/zinc/58/90/40/476589040.db2.gz LKHYWCCUXJTHOA-NSHDSACASA-N 0 0 348.380 2.707 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)c1ccsc1 ZINC000354328133 476589254 /nfs/dbraw/zinc/58/92/54/476589254.db2.gz IPAWGRPWLFSBRY-ZDUSSCGKSA-N 0 0 340.788 2.702 10 5 EFBERN O=C(NCCOc1ccccc1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354328265 476589334 /nfs/dbraw/zinc/58/93/34/476589334.db2.gz MPKQKFWSGQEARS-UHFFFAOYSA-N 0 0 336.731 2.763 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@H](c2nc[nH]n2)c2ccccc2)cc1F ZINC000374916012 476592188 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2.888 10 5 EFBERN C[C@H](NC(=O)c1ccnn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000448734349 477266379 /nfs/dbraw/zinc/26/63/79/477266379.db2.gz GTAFFXWJLUSKGA-VIFPVBQESA-N 0 0 342.277 2.845 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(OC)(c2ccccc2)C1 ZINC000376287289 477269355 /nfs/dbraw/zinc/26/93/55/477269355.db2.gz GGDDEPDAZXVDOY-UHFFFAOYSA-N 0 0 342.351 2.601 10 5 EFBERN CC(C)OC[C@H](CO)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000432845965 477277880 /nfs/dbraw/zinc/27/78/80/477277880.db2.gz HHRZLCWHUAHBBC-NSHDSACASA-N 0 0 336.310 2.836 10 5 EFBERN CCc1cc(N[C@@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432867438 477281377 /nfs/dbraw/zinc/28/13/77/477281377.db2.gz VXBMLOCSCVQNSL-MLGOLLRUSA-N 0 0 342.399 2.873 10 5 EFBERN CCc1cc(N[C@@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432867436 477281838 /nfs/dbraw/zinc/28/18/38/477281838.db2.gz VXBMLOCSCVQNSL-BLLLJJGKSA-N 0 0 342.399 2.873 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@H]1CCOC[C@@H]1C ZINC000432877184 477284413 /nfs/dbraw/zinc/28/44/13/477284413.db2.gz ICHKHIYAHBXZPA-ZANVPECISA-N 0 0 326.324 2.748 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H]1CCOC[C@@H]1C ZINC000432877183 477284971 /nfs/dbraw/zinc/28/49/71/477284971.db2.gz ICHKHIYAHBXZPA-TVQRCGJNSA-N 0 0 326.324 2.748 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1F ZINC000366982828 477285739 /nfs/dbraw/zinc/28/57/39/477285739.db2.gz PDDJIBRCLRFDKD-UHFFFAOYSA-N 0 0 345.378 2.657 10 5 EFBERN Cc1c(NC(=O)N2CC(CO)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000416729535 477285794 /nfs/dbraw/zinc/28/57/94/477285794.db2.gz IDLAMQCDVDYDEF-UHFFFAOYSA-N 0 0 341.367 2.681 10 5 EFBERN Cc1cc(OCc2ccc(Br)cc2[N+](=O)[O-])nn1C ZINC000424087956 477287512 /nfs/dbraw/zinc/28/75/12/477287512.db2.gz FREVMQJLMOHYHT-UHFFFAOYSA-N 0 0 326.150 2.978 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)C2CCN(c3cnccn3)CC2)c1 ZINC000432943143 477289981 /nfs/dbraw/zinc/28/99/81/477289981.db2.gz KSUZXEMTPULJRL-UHFFFAOYSA-N 0 0 327.388 2.798 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCCS2)n1C ZINC000424098780 477291322 /nfs/dbraw/zinc/29/13/22/477291322.db2.gz LITSVCIHUBGUGY-AWEZNQCLSA-N 0 0 347.444 2.970 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000458156743 477293549 /nfs/dbraw/zinc/29/35/49/477293549.db2.gz FODBIXXYWSYYPM-HUUCEWRRSA-N 0 0 334.372 2.681 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCS2)n1C ZINC000424106684 477293922 /nfs/dbraw/zinc/29/39/22/477293922.db2.gz XUIVYXMEHIZQTC-AWEZNQCLSA-N 0 0 347.444 2.970 10 5 EFBERN CCCc1n[nH]c(C(=O)NC2CCC(C(F)F)CC2)c1[N+](=O)[O-] ZINC000458168288 477299788 /nfs/dbraw/zinc/29/97/88/477299788.db2.gz RJJQLIVYYLFZBN-UHFFFAOYSA-N 0 0 330.335 2.824 10 5 EFBERN CO[C@H](CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CC1 ZINC000424159605 477313206 /nfs/dbraw/zinc/31/32/06/477313206.db2.gz VIJPYKDAUPFEBL-GFCCVEGCSA-N 0 0 331.415 2.515 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccn2)CC1 ZINC000376410663 477321524 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CC[C@@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000420615862 477759806 /nfs/dbraw/zinc/75/98/06/477759806.db2.gz FQSBHHAVMDFKBP-UONOGXRCSA-N 0 0 333.388 2.857 10 5 EFBERN NC(=O)c1ccnc(N2CCC[C@@H]2c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000450916368 477761086 /nfs/dbraw/zinc/76/10/86/477761086.db2.gz VHMMPRHQYYJCPL-CYBMUJFWSA-N 0 0 348.309 2.708 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CCOC)[C@H](C)c2ccccc2)n1 ZINC000427194196 477765186 /nfs/dbraw/zinc/76/51/86/477765186.db2.gz RUTJHBPRNAQFSM-CYBMUJFWSA-N 0 0 346.387 2.661 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000427262712 477770978 /nfs/dbraw/zinc/77/09/78/477770978.db2.gz LPEVDSLRCBFIIO-OKILXGFUSA-N 0 0 338.429 2.968 10 5 EFBERN Cn1ccnc1[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000450949900 477771906 /nfs/dbraw/zinc/77/19/06/477771906.db2.gz LLLKYLAPTCREHT-BXKDBHETSA-N 0 0 337.767 2.709 10 5 EFBERN CCO[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000413668240 477772631 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EFBERN CCn1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)c1C ZINC000428071075 477815030 /nfs/dbraw/zinc/81/50/30/477815030.db2.gz OXCDJLLPTYAJJC-UHFFFAOYSA-N 0 0 332.356 2.787 10 5 EFBERN CCOC(=O)C[C@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000428139397 477828333 /nfs/dbraw/zinc/82/83/33/477828333.db2.gz BPEBPOFHIQGDKW-JTQLQIEISA-N 0 0 338.360 2.691 10 5 EFBERN Cc1cnccc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000428172097 477832175 /nfs/dbraw/zinc/83/21/75/477832175.db2.gz XBBUJCLVHDOALR-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN CCn1nc(C)c(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1C ZINC000459984782 477833646 /nfs/dbraw/zinc/83/36/46/477833646.db2.gz IDWQZWLBIXNXRV-NSHDSACASA-N 0 0 342.399 2.948 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)[C@H](C)O1 ZINC000438377781 477834316 /nfs/dbraw/zinc/83/43/16/477834316.db2.gz MKLBTIJFKRVNDJ-MXWKQRLJSA-N 0 0 326.780 2.815 10 5 EFBERN NC(=O)c1ccc(NCCCNc2ccccc2F)c([N+](=O)[O-])c1 ZINC000428202383 477839986 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478458652 /nfs/dbraw/zinc/45/86/52/478458652.db2.gz NGKPQLQPKUGFRU-LBPRGKRZSA-N 0 0 335.404 2.597 10 5 EFBERN CNC(=O)c1ccc(N2C[C@H](C)OC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000594599765 478458695 /nfs/dbraw/zinc/45/86/95/478458695.db2.gz MTTMGAMHDYGFAB-ZDUSSCGKSA-N 0 0 347.415 2.882 10 5 EFBERN CCC[C@@H](C)[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000581888485 478459738 /nfs/dbraw/zinc/45/97/38/478459738.db2.gz IMXVUSBQNDJFSI-KCJUWKMLSA-N 0 0 332.198 2.961 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCC4(CCCC4)O3)c2c1 ZINC000594601025 478460262 /nfs/dbraw/zinc/46/02/62/478460262.db2.gz SJYRTIKKRWIERH-CYBMUJFWSA-N 0 0 328.372 2.864 10 5 EFBERN C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594601049 478461011 /nfs/dbraw/zinc/46/10/11/478461011.db2.gz SOFPSDPHGFKSOJ-GFCCVEGCSA-N 0 0 333.388 2.622 10 5 EFBERN O=c1[nH]c(NC[C@H]2CCC3(CCCC3)O2)nc2ccc([N+](=O)[O-])cc21 ZINC000594602677 478461431 /nfs/dbraw/zinc/46/14/31/478461431.db2.gz ZEIMXAOTVYRNMJ-GFCCVEGCSA-N 0 0 344.371 2.569 10 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478472749 /nfs/dbraw/zinc/47/27/49/478472749.db2.gz BZZWJHQJHNOZLC-BJOHPYRUSA-N 0 0 346.368 2.580 10 5 EFBERN CC(C)[C@@H](C1CC1)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600700233 478474001 /nfs/dbraw/zinc/47/40/01/478474001.db2.gz JXDOVVKOKGBTBK-YOEHRIQHSA-N 0 0 331.372 2.796 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000600703742 478475148 /nfs/dbraw/zinc/47/51/48/478475148.db2.gz KKZHIJJXTDCGDX-RRFJBIMHSA-N 0 0 347.371 2.790 10 5 EFBERN Cc1cscc1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703952 478475446 /nfs/dbraw/zinc/47/54/46/478475446.db2.gz MCQFEGBPECEDRU-MRXNPFEDSA-N 0 0 345.380 2.932 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000600703740 478475460 /nfs/dbraw/zinc/47/54/60/478475460.db2.gz KKZHIJJXTDCGDX-KFWWJZLASA-N 0 0 347.371 2.790 10 5 EFBERN CC(C)[C@]1(C)C[C@@H]1N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600705841 478477864 /nfs/dbraw/zinc/47/78/64/478477864.db2.gz QKAREPVPXKPUFW-RRQGHBQHSA-N 0 0 331.372 2.796 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H](C2CC2)C2CCC2)C1=O ZINC000600709879 478478356 /nfs/dbraw/zinc/47/83/56/478478356.db2.gz ZDZBYYDMNLQQBN-YJBOKZPZSA-N 0 0 343.383 2.941 10 5 EFBERN CCC(CC)(CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)OC ZINC000600712423 478478510 /nfs/dbraw/zinc/47/85/10/478478510.db2.gz JNFFNDJSBGDXLZ-MRXNPFEDSA-N 0 0 349.387 2.567 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H](C2CC2)C2CCC2)C1=O ZINC000600709877 478479121 /nfs/dbraw/zinc/47/91/21/478479121.db2.gz ZDZBYYDMNLQQBN-MAUKXSAKSA-N 0 0 343.383 2.941 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@H]2CCCSC2)C1=O ZINC000600711938 478479659 /nfs/dbraw/zinc/47/96/59/478479659.db2.gz IBNVZYQXQGBDES-BDJLRTHQSA-N 0 0 349.412 2.505 10 5 EFBERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc21 ZINC000600712751 478480513 /nfs/dbraw/zinc/48/05/13/478480513.db2.gz XSSGPEDNWQTQPG-SECBINFHSA-N 0 0 328.328 2.645 10 5 EFBERN CC(F)(F)CCCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600712425 478481350 /nfs/dbraw/zinc/48/13/50/478481350.db2.gz JNGXBRSIEMCAAF-OAHLLOKOSA-N 0 0 341.314 2.797 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CNc1cccc2c1CCN(C)C2=O ZINC000594707181 478505033 /nfs/dbraw/zinc/50/50/33/478505033.db2.gz JXRUTDJJGZLOEA-UHFFFAOYSA-N 0 0 341.367 2.844 10 5 EFBERN COC(=O)c1cc(NCCO[C@H]2CC2(F)F)c(C)c([N+](=O)[O-])c1 ZINC000594708346 478505816 /nfs/dbraw/zinc/50/58/16/478505816.db2.gz TZFAFJMUUUFITH-LBPRGKRZSA-N 0 0 330.287 2.526 10 5 EFBERN COc1cccc(C(=O)N2CC(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000600759260 478507409 /nfs/dbraw/zinc/50/74/09/478507409.db2.gz DQCZISGXJAOTLK-UHFFFAOYSA-N 0 0 332.381 2.980 10 5 EFBERN O=C(NCCC1CSC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597790469 478509276 /nfs/dbraw/zinc/50/92/76/478509276.db2.gz WPRDRFNBKASKAX-UHFFFAOYSA-N 0 0 332.328 2.679 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000600762433 478509622 /nfs/dbraw/zinc/50/96/22/478509622.db2.gz DYYULZHHPVJSNX-UHFFFAOYSA-N 0 0 334.401 2.647 10 5 EFBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC2(CC2)CC1 ZINC000600769860 478511949 /nfs/dbraw/zinc/51/19/49/478511949.db2.gz UAPRBAPRWBPFTG-UHFFFAOYSA-N 0 0 345.399 2.507 10 5 EFBERN Cc1cc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3C)CCOCC2)on1 ZINC000600773940 478513638 /nfs/dbraw/zinc/51/36/38/478513638.db2.gz HAOCEIKQMSISKA-UHFFFAOYSA-N 0 0 345.355 2.635 10 5 EFBERN COc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)cc1F ZINC000600774031 478514150 /nfs/dbraw/zinc/51/41/50/478514150.db2.gz HTBBNSCVODTBRJ-NSHDSACASA-N 0 0 334.303 2.965 10 5 EFBERN Cc1cc(C2(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CCOCC2)on1 ZINC000600777262 478516232 /nfs/dbraw/zinc/51/62/32/478516232.db2.gz PMPREGXTPHNJNS-UHFFFAOYSA-N 0 0 345.355 2.635 10 5 EFBERN O=[N+]([O-])c1ccc(CO)c(-c2cccc(CN3CCOCC3)c2)c1 ZINC000600783438 478519389 /nfs/dbraw/zinc/51/93/89/478519389.db2.gz VMKSHAZKVLXTBO-UHFFFAOYSA-N 0 0 328.368 2.586 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1[N+](=O)[O-] ZINC000600795304 478524881 /nfs/dbraw/zinc/52/48/81/478524881.db2.gz XFBTZADOYYYOHD-IUIKQTSFSA-N 0 0 332.400 2.878 10 5 EFBERN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H](CCc1ccccc1)C(F)F ZINC000600795325 478525512 /nfs/dbraw/zinc/52/55/12/478525512.db2.gz XOPSCZMXGWVSCE-LBPRGKRZSA-N 0 0 338.314 2.656 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(O)cc1F ZINC000571131925 478525522 /nfs/dbraw/zinc/52/55/22/478525522.db2.gz PDVIESMBGMVYMW-UHFFFAOYSA-N 0 0 343.314 2.893 10 5 EFBERN CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744403 478526007 /nfs/dbraw/zinc/52/60/07/478526007.db2.gz JOJTXXXVKYFRDB-AWEZNQCLSA-N 0 0 347.396 2.688 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600799973 478526539 /nfs/dbraw/zinc/52/65/39/478526539.db2.gz GSDNMHULMNEMEA-WAAGHKOSSA-N 0 0 343.177 2.512 10 5 EFBERN COC(=O)c1cc(C(=O)NC[C@@H]2CCCC23CC3)cc([N+](=O)[O-])c1 ZINC000600801328 478526619 /nfs/dbraw/zinc/52/66/19/478526619.db2.gz IRSVLVJFFWKEOU-ZDUSSCGKSA-N 0 0 332.356 2.692 10 5 EFBERN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594744836 478527902 /nfs/dbraw/zinc/52/79/02/478527902.db2.gz BBDGPOWXWABNKS-CQSZACIVSA-N 0 0 347.396 2.824 10 5 EFBERN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000594752138 478530126 /nfs/dbraw/zinc/53/01/26/478530126.db2.gz KXLIQDSFUGMDPS-VIFPVBQESA-N 0 0 340.323 2.603 10 5 EFBERN Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)c1 ZINC000594750543 478530849 /nfs/dbraw/zinc/53/08/49/478530849.db2.gz LJMAGDJSEFEGLB-ZDUSSCGKSA-N 0 0 349.412 2.988 10 5 EFBERN C[C@@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753199 478531381 /nfs/dbraw/zinc/53/13/81/478531381.db2.gz HYOMNMJAACESJI-OCCSQVGLSA-N 0 0 347.396 2.557 10 5 EFBERN Cc1cccc([C@@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])c1C ZINC000594754107 478531701 /nfs/dbraw/zinc/53/17/01/478531701.db2.gz PJKKUECXSMGKMI-GFCCVEGCSA-N 0 0 335.385 2.646 10 5 EFBERN CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753994 478531815 /nfs/dbraw/zinc/53/18/15/478531815.db2.gz NNOAFECOWBQUPH-RYUDHWBXSA-N 0 0 327.406 2.579 10 5 EFBERN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cncnc1 ZINC000600816655 478532059 /nfs/dbraw/zinc/53/20/59/478532059.db2.gz FVAHMJVBRBCIMG-ZDUSSCGKSA-N 0 0 328.372 2.627 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000600815440 478532342 /nfs/dbraw/zinc/53/23/42/478532342.db2.gz UUIMEXDMPXQMHN-HNNXBMFYSA-N 0 0 345.399 2.601 10 5 EFBERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758437 478532610 /nfs/dbraw/zinc/53/26/10/478532610.db2.gz RGJFQDRFUPZMMB-NWDGAFQWSA-N 0 0 349.412 2.952 10 5 EFBERN CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594757421 478532959 /nfs/dbraw/zinc/53/29/59/478532959.db2.gz CSQWGUUDAWXKCM-UHFFFAOYSA-N 0 0 327.406 2.579 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N(CC1CC1)C1CCCCC1 ZINC000594758732 478533036 /nfs/dbraw/zinc/53/30/36/478533036.db2.gz DWQCAUTZWFEZCY-UHFFFAOYSA-N 0 0 339.417 2.723 10 5 EFBERN CC(C)CC[C@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764119 478533959 /nfs/dbraw/zinc/53/39/59/478533959.db2.gz HBKXOALJHXDCAO-GFCCVEGCSA-N 0 0 327.406 2.579 10 5 EFBERN CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762101 478533968 /nfs/dbraw/zinc/53/39/68/478533968.db2.gz YQPBBTUEGVJGAQ-LBPRGKRZSA-N 0 0 327.406 2.579 10 5 EFBERN CC[C@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761271 478534150 /nfs/dbraw/zinc/53/41/50/478534150.db2.gz WXULTWHSFMUDGD-WDEREUQCSA-N 0 0 327.406 2.578 10 5 EFBERN C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cncnc1 ZINC000600823404 478535203 /nfs/dbraw/zinc/53/52/03/478535203.db2.gz XYLGULBBRSNDMA-GFCCVEGCSA-N 0 0 326.356 2.680 10 5 EFBERN CC1(C)C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])c2ccccc21 ZINC000594774369 478537014 /nfs/dbraw/zinc/53/70/14/478537014.db2.gz DRQJRZKGBKWHLE-CYBMUJFWSA-N 0 0 347.396 2.691 10 5 EFBERN Cc1sc(C(=O)N[C@H](c2cccnc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000597844448 478537069 /nfs/dbraw/zinc/53/70/69/478537069.db2.gz FGACHCOOYVFHFV-CQSZACIVSA-N 0 0 349.412 2.849 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000541117672 478538498 /nfs/dbraw/zinc/53/84/98/478538498.db2.gz WNAYZZLSHWYPBG-INIZCTEOSA-N 0 0 341.367 2.980 10 5 EFBERN CC(C)C[C@@]1(C)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778854 478538764 /nfs/dbraw/zinc/53/87/64/478538764.db2.gz BMMFXHVYYUGXOZ-CQSZACIVSA-N 0 0 327.406 2.579 10 5 EFBERN C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000594777202 478538828 /nfs/dbraw/zinc/53/88/28/478538828.db2.gz WDCCMXVEEVKYAX-LLVKDONJSA-N 0 0 347.396 2.907 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)c1cncnc1 ZINC000600838170 478538924 /nfs/dbraw/zinc/53/89/24/478538924.db2.gz APAQLJBSKRFQKQ-ZDUSSCGKSA-N 0 0 328.372 2.926 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)c2ccccn2)c1 ZINC000594795345 478542601 /nfs/dbraw/zinc/54/26/01/478542601.db2.gz KVEYCSKNRREQDM-GFCCVEGCSA-N 0 0 349.412 2.689 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594797619 478544531 /nfs/dbraw/zinc/54/45/31/478544531.db2.gz WRKZNFQXHOYPQR-SDDRHHMPSA-N 0 0 347.396 2.610 10 5 EFBERN Cc1cccc(C2(NS(=O)(=O)c3ncccc3[N+](=O)[O-])CCC2)c1 ZINC000594797582 478544829 /nfs/dbraw/zinc/54/48/29/478544829.db2.gz VPEHSSHBEQPEAH-UHFFFAOYSA-N 0 0 347.396 2.656 10 5 EFBERN CCC(C)(C)[C@@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000594813137 478548524 /nfs/dbraw/zinc/54/85/24/478548524.db2.gz MFVRJUPUYYCVAP-SNVBAGLBSA-N 0 0 330.406 2.706 10 5 EFBERN CCC(C)(C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000594812999 478548655 /nfs/dbraw/zinc/54/86/55/478548655.db2.gz KXCDTPFZEZEYPU-SNVBAGLBSA-N 0 0 330.406 2.706 10 5 EFBERN CC(C)CCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2N)s1 ZINC000597869388 478552236 /nfs/dbraw/zinc/55/22/36/478552236.db2.gz GEDLBOUDBXESKE-UHFFFAOYSA-N 0 0 335.389 2.869 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@]2(C)CC2(F)F)c1C ZINC000594851360 478559827 /nfs/dbraw/zinc/55/98/27/478559827.db2.gz JRJNOWVSIWIWTN-LBPRGKRZSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@]1(C)CC1(F)F ZINC000594850141 478560780 /nfs/dbraw/zinc/56/07/80/478560780.db2.gz BWWMLLQHBMFJLY-LBPRGKRZSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(C)CC2(F)F)cc1C ZINC000594853541 478561451 /nfs/dbraw/zinc/56/14/51/478561451.db2.gz ZNCYZHHTNWJWFZ-GFCCVEGCSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@]1(C)CC1(F)F ZINC000594856120 478561804 /nfs/dbraw/zinc/56/18/04/478561804.db2.gz FTVAWKCICWPFHA-CYBMUJFWSA-N 0 0 348.371 2.925 10 5 EFBERN Cc1sc(S(=O)(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594857696 478562743 /nfs/dbraw/zinc/56/27/43/478562743.db2.gz OEZKSOGWWAWSQL-JTQLQIEISA-N 0 0 340.373 2.678 10 5 EFBERN Cc1sc(S(=O)(=O)N2CCC[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000594857073 478562816 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EFBERN C[C@@]1(C2CC2)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000597925963 478581491 /nfs/dbraw/zinc/58/14/91/478581491.db2.gz YMVUIUIJFTVANZ-INIZCTEOSA-N 0 0 336.413 2.714 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000597937405 478585755 /nfs/dbraw/zinc/58/57/55/478585755.db2.gz RTPDJNCUPYOEAR-JQWIXIFHSA-N 0 0 329.360 2.547 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCc3ccccc3C(C)(C)C2)c1[N+](=O)[O-] ZINC000597949501 478592298 /nfs/dbraw/zinc/59/22/98/478592298.db2.gz VGROWEKAGINNAD-UHFFFAOYSA-N 0 0 342.399 2.856 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\[C@@H]3CCCO3)n2)c1 ZINC000591664314 478604417 /nfs/dbraw/zinc/60/44/17/478604417.db2.gz IBOZFNJIOQEHRX-HWPRWLFBSA-N 0 0 331.328 2.769 10 5 EFBERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571488034 478605249 /nfs/dbraw/zinc/60/52/49/478605249.db2.gz INFBJZWYUCUJMB-NWDGAFQWSA-N 0 0 343.383 2.740 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000563626779 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CCOc1ccc(C(=O)N2CC(COC)(C3CCC3)C2)cc1[N+](=O)[O-] ZINC000598062135 478639475 /nfs/dbraw/zinc/63/94/75/478639475.db2.gz KWRWBKRXKRZFPE-UHFFFAOYSA-N 0 0 348.399 2.882 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598061179 478640378 /nfs/dbraw/zinc/64/03/78/478640378.db2.gz JFQBMBBVTYPZQQ-CYBMUJFWSA-N 0 0 332.400 2.973 10 5 EFBERN Cn1cc([C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C(C)(C)C)cn1 ZINC000591821706 478640656 /nfs/dbraw/zinc/64/06/56/478640656.db2.gz XEDYOFVJQZSPEV-HNNXBMFYSA-N 0 0 333.392 2.602 10 5 EFBERN CNc1ccc(C(=O)N2CC(COC)(C3CCC3)C2)cc1[N+](=O)[O-] ZINC000598062732 478641065 /nfs/dbraw/zinc/64/10/65/478641065.db2.gz UKGRWQQYPVOCAE-UHFFFAOYSA-N 0 0 333.388 2.525 10 5 EFBERN COC1CC(CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595050594 478641475 /nfs/dbraw/zinc/64/14/75/478641475.db2.gz SKBGBBWTQGWGOK-QWFMPGPPSA-N 0 0 344.415 2.822 10 5 EFBERN O=[N+]([O-])c1ccc(-c2cnn(Cc3nc(CC4CC4)no3)c2)cc1 ZINC000601075458 478642311 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Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000598242847 478722457 /nfs/dbraw/zinc/72/24/57/478722457.db2.gz UVWXYTQJGXAOOF-RYUDHWBXSA-N 0 0 334.401 2.531 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000598242846 478722893 /nfs/dbraw/zinc/72/28/93/478722893.db2.gz UVWXYTQJGXAOOF-NWDGAFQWSA-N 0 0 334.401 2.531 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000598243950 478723961 /nfs/dbraw/zinc/72/39/61/478723961.db2.gz XRAIJUMLYDQUCV-AAEUAGOBSA-N 0 0 334.401 2.531 10 5 EFBERN Cc1noc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000595308435 478724603 /nfs/dbraw/zinc/72/46/03/478724603.db2.gz NXYMQSXDXWXHRQ-GFCCVEGCSA-N 0 0 331.328 2.957 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000601210198 478724898 /nfs/dbraw/zinc/72/48/98/478724898.db2.gz OMTAOSIIPVNJDI-MVWJERBFSA-N 0 0 349.188 2.841 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2c(Br)cnn2C)n1 ZINC000601219786 478730629 /nfs/dbraw/zinc/73/06/29/478730629.db2.gz WPNYLHBTHBQVBH-UHFFFAOYSA-N 0 0 340.181 2.715 10 5 EFBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1cnn(C)c1 ZINC000601223512 478731713 /nfs/dbraw/zinc/73/17/13/478731713.db2.gz DRWQBVRZBOKDDQ-GFCCVEGCSA-N 0 0 328.372 2.627 10 5 EFBERN O=[N+]([O-])c1ncccc1NCCC1(O)CCN(c2ccccc2)CC1 ZINC000601223849 478732085 /nfs/dbraw/zinc/73/20/85/478732085.db2.gz PSZYXKQWELPPBU-UHFFFAOYSA-N 0 0 342.399 2.823 10 5 EFBERN CC1(C)CCC[C@H]1[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000591982450 478732541 /nfs/dbraw/zinc/73/25/41/478732541.db2.gz MLLDLMDLDBYTEX-YPMHNXCESA-N 0 0 332.404 2.741 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H](O)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601223895 478733747 /nfs/dbraw/zinc/73/37/47/478733747.db2.gz RXTCOGJPBPGJKO-CJNGLKHVSA-N 0 0 332.400 2.684 10 5 EFBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1OC(F)F)[C@]1(O)CCOC1 ZINC000591988159 478734905 /nfs/dbraw/zinc/73/49/05/478734905.db2.gz PCQRCAXOAHUGDU-HNNXBMFYSA-N 0 0 346.330 2.786 10 5 EFBERN COC[C@@]1(C(=O)OC(C)(C)C)CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000601226217 478734934 /nfs/dbraw/zinc/73/49/34/478734934.db2.gz MGTRGRVSWIBFOG-QGZVFWFLSA-N 0 0 336.388 2.779 10 5 EFBERN COC(=O)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000598268938 478734990 /nfs/dbraw/zinc/73/49/90/478734990.db2.gz UAGQRURTVFRDOH-SNVBAGLBSA-N 0 0 340.763 2.567 10 5 EFBERN CC(C)(CNc1ccc([N+](=O)[O-])cc1OC(F)F)[C@@]1(O)CCOC1 ZINC000591988160 478735164 /nfs/dbraw/zinc/73/51/64/478735164.db2.gz PCQRCAXOAHUGDU-OAHLLOKOSA-N 0 0 346.330 2.786 10 5 EFBERN COC[C@]1(C(=O)OC(C)(C)C)CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000601227606 478735269 /nfs/dbraw/zinc/73/52/69/478735269.db2.gz GCIHAGRQVVASAB-HNNXBMFYSA-N 0 0 342.417 2.841 10 5 EFBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@]1(O)CCOC1 ZINC000591987775 478735539 /nfs/dbraw/zinc/73/55/39/478735539.db2.gz LRCZRHWVXVIRRT-ZDUSSCGKSA-N 0 0 349.309 2.598 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@@H](OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000591987321 478735898 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C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)S1 ZINC000572069154 478742599 /nfs/dbraw/zinc/74/25/99/478742599.db2.gz LCICAYCQLAZZNH-RKDXNWHRSA-N 0 0 330.356 2.768 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)c1C ZINC000595350061 478742597 /nfs/dbraw/zinc/74/25/97/478742597.db2.gz DULUSHVHIKPMSH-LBPRGKRZSA-N 0 0 348.371 2.781 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)c(C)cc1[N+](=O)[O-] ZINC000595350603 478742713 /nfs/dbraw/zinc/74/27/13/478742713.db2.gz FUXVYVKLUZDLPI-LBPRGKRZSA-N 0 0 348.371 2.781 10 5 EFBERN CCOC(=O)[C@]1(CNc2cc(C)sc2[N+](=O)[O-])CCCOC1 ZINC000601244883 478744934 /nfs/dbraw/zinc/74/49/34/478744934.db2.gz WBDJQFGNIQMGOW-AWEZNQCLSA-N 0 0 328.390 2.737 10 5 EFBERN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595359970 478746590 /nfs/dbraw/zinc/74/65/90/478746590.db2.gz VOCMYPCZXJLHIG-XGNXJENSSA-N 0 0 344.408 2.931 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(O)(C1CC1)C1CC1 ZINC000598288460 478746637 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COC(=O)c1cc(C2CCN(c3ccc([N+](=O)[O-])s3)CC2)no1 ZINC000601251756 478747962 /nfs/dbraw/zinc/74/79/62/478747962.db2.gz GXUOBKXLZVZRJW-UHFFFAOYSA-N 0 0 337.357 2.815 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@H](c3ccc4cccnc4n3)C2)s1 ZINC000601256257 478748488 /nfs/dbraw/zinc/74/84/88/478748488.db2.gz NFXBRPIIFVVDOD-NSHDSACASA-N 0 0 327.369 2.988 10 5 EFBERN CC(C)[C@H](NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000595364243 478748981 /nfs/dbraw/zinc/74/89/81/478748981.db2.gz MJHDDZDNPAODRF-HNNXBMFYSA-N 0 0 349.412 2.856 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598296372 478750545 /nfs/dbraw/zinc/75/05/45/478750545.db2.gz OZBXKQNMLWAHJK-RYUDHWBXSA-N 0 0 344.289 2.647 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3ccc(O)cc3)CC2)n1 ZINC000601257256 478750533 /nfs/dbraw/zinc/75/05/33/478750533.db2.gz MIGSMCWCWWRFEG-UHFFFAOYSA-N 0 0 342.399 2.634 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000595370362 478751282 /nfs/dbraw/zinc/75/12/82/478751282.db2.gz KSRLSJKDTZZCPJ-GFCCVEGCSA-N 0 0 342.392 2.935 10 5 EFBERN C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000598298656 478751451 /nfs/dbraw/zinc/75/14/51/478751451.db2.gz LBPSXARPYOTUKF-MNOVXSKESA-N 0 0 326.780 2.817 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000598302945 478753841 /nfs/dbraw/zinc/75/38/41/478753841.db2.gz FZBONLHGLYLBSP-LSDHHAIUSA-N 0 0 332.400 2.926 10 5 EFBERN COc1ccc(CNC(=O)c2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000592045446 478753829 /nfs/dbraw/zinc/75/38/29/478753829.db2.gz OZOLQHDEXZAPPT-UHFFFAOYSA-N 0 0 341.367 2.892 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000598302943 478754099 /nfs/dbraw/zinc/75/40/99/478754099.db2.gz FZBONLHGLYLBSP-HUUCEWRRSA-N 0 0 332.400 2.926 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000592045132 478754612 /nfs/dbraw/zinc/75/46/12/478754612.db2.gz VFKYELKAXMZZJY-ZWNOBZJWSA-N 0 0 330.381 2.526 10 5 EFBERN COC(=O)c1cc(N[C@H]2CCCn3nccc32)cc(C)c1[N+](=O)[O-] ZINC000601269862 478756510 /nfs/dbraw/zinc/75/65/10/478756510.db2.gz MZCAHLRNLZBCOK-ZDUSSCGKSA-N 0 0 330.344 2.833 10 5 EFBERN CC1(C)CC(NS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000595390006 478759633 /nfs/dbraw/zinc/75/96/33/478759633.db2.gz SDWMPXARHIFUQN-UHFFFAOYSA-N 0 0 335.385 2.610 10 5 EFBERN COC(=O)[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])c2ccccc21 ZINC000595393164 478761740 /nfs/dbraw/zinc/76/17/40/478761740.db2.gz OAAKUFQJPXHZOV-LBPRGKRZSA-N 0 0 331.328 2.558 10 5 EFBERN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000592068047 478762052 /nfs/dbraw/zinc/76/20/52/478762052.db2.gz ZYQFEMJOJNXXAA-SSDOTTSWSA-N 0 0 342.751 2.818 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598313154 478762178 /nfs/dbraw/zinc/76/21/78/478762178.db2.gz SZAPRHRYGCTINS-KBPBESRZSA-N 0 0 332.381 2.843 10 5 EFBERN Cc1sc(S(=O)(=O)NC[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592067867 478762708 /nfs/dbraw/zinc/76/27/08/478762708.db2.gz XOMDUCWYSVWOKE-LURJTMIESA-N 0 0 328.362 2.534 10 5 EFBERN Cc1noc(CN2CCN([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000595399379 478762780 /nfs/dbraw/zinc/76/27/80/478762780.db2.gz ZUYSTKIMHYXZBZ-CYBMUJFWSA-N 0 0 348.378 2.909 10 5 EFBERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)c1 ZINC000583093055 478762944 /nfs/dbraw/zinc/76/29/44/478762944.db2.gz DTTGXHITAKAJDO-ZDUSSCGKSA-N 0 0 340.383 2.649 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000598317065 478763487 /nfs/dbraw/zinc/76/34/87/478763487.db2.gz BMBMVHRUMFDWSI-UHFFFAOYSA-N 0 0 325.315 2.875 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C(C)C)C2)c1 ZINC000543674696 478765020 /nfs/dbraw/zinc/76/50/20/478765020.db2.gz IKOLMLVBVWUDSE-ZDUSSCGKSA-N 0 0 326.418 2.878 10 5 EFBERN CC(C)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000595417665 478768664 /nfs/dbraw/zinc/76/86/64/478768664.db2.gz KBGQCWPHBDLQCS-UHFFFAOYSA-N 0 0 340.323 2.852 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000592092254 478768717 /nfs/dbraw/zinc/76/87/17/478768717.db2.gz GVIRYBIHIYCGNN-UPJWGTAASA-N 0 0 325.390 2.625 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1SC ZINC000592092904 478771470 /nfs/dbraw/zinc/77/14/70/478771470.db2.gz JJTILJGXIHTCOC-BNOWGMLFSA-N 0 0 339.417 2.934 10 5 EFBERN Cc1cc(OCC(=O)NC[C@@H]2C(C)(C)C2(F)F)ccc1[N+](=O)[O-] ZINC000598337182 478773086 /nfs/dbraw/zinc/77/30/86/478773086.db2.gz NFEWERPOVXHBGZ-GFCCVEGCSA-N 0 0 328.315 2.690 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CCC(F)CC1 ZINC000592105361 478778610 /nfs/dbraw/zinc/77/86/10/478778610.db2.gz FAXCEMGAEUQPTJ-UHFFFAOYSA-N 0 0 330.381 2.710 10 5 EFBERN CC(C)[C@H]1N(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592104813 478778826 /nfs/dbraw/zinc/77/88/26/478778826.db2.gz XCAPRNUTOAIIAH-OAHLLOKOSA-N 0 0 336.413 2.960 10 5 EFBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000598347229 478779953 /nfs/dbraw/zinc/77/99/53/478779953.db2.gz APCQUQINEXGSFR-DLBZAZTESA-N 0 0 343.383 2.665 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H](C)Cc2ccsc2)c([N+](=O)[O-])s1 ZINC000601313677 478781677 /nfs/dbraw/zinc/78/16/77/478781677.db2.gz VGFNHTIXPQMICL-MRVPVSSYSA-N 0 0 346.455 2.936 10 5 EFBERN CNc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598353595 478782432 /nfs/dbraw/zinc/78/24/32/478782432.db2.gz QFGLIDJNFRKJMA-GFCCVEGCSA-N 0 0 333.388 2.810 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598354338 478784725 /nfs/dbraw/zinc/78/47/25/478784725.db2.gz SBXNEXVRHWDNAP-LBPRGKRZSA-N 0 0 336.363 2.837 10 5 EFBERN COc1ccc2c(c1)N(C(=O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000598364596 478788892 /nfs/dbraw/zinc/78/88/92/478788892.db2.gz QFMOKQBEQZSPOJ-UHFFFAOYSA-N 0 0 342.351 2.962 10 5 EFBERN CCC1(CC)CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000595445507 478789468 /nfs/dbraw/zinc/78/94/68/478789468.db2.gz MYYDZEXKISBMLC-QFIPXVFZSA-N 0 0 328.409 2.857 10 5 EFBERN COc1ccc2c(c1)N(C(=O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000598365307 478790216 /nfs/dbraw/zinc/79/02/16/478790216.db2.gz UOYBPCJUGSSDSV-UHFFFAOYSA-N 0 0 342.351 2.962 10 5 EFBERN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000595451874 478791964 /nfs/dbraw/zinc/79/19/64/478791964.db2.gz VPNCUCGFKSQGSJ-RDBSUJKOSA-N 0 0 333.388 2.839 10 5 EFBERN COC1CCC(N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601347417 478796278 /nfs/dbraw/zinc/79/62/78/478796278.db2.gz KAPKYPUYIBZTQI-UHFFFAOYSA-N 0 0 348.446 2.543 10 5 EFBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2COC[C@@H]2C1 ZINC000598391121 478800494 /nfs/dbraw/zinc/80/04/94/478800494.db2.gz BEXHVBHPNLJEHC-ZJUUUORDSA-N 0 0 344.289 2.722 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H]2COC[C@H]2C1 ZINC000598392153 478801415 /nfs/dbraw/zinc/80/14/15/478801415.db2.gz FUGHFQIYMFMMBB-NXEZZACHSA-N 0 0 344.289 2.722 10 5 EFBERN CCOc1cc(N2CCN(Cc3coc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000595466602 478801786 /nfs/dbraw/zinc/80/17/86/478801786.db2.gz WCUZHQHWWJRVOZ-UHFFFAOYSA-N 0 0 346.387 2.612 10 5 EFBERN CC(C)(C(=O)N1CC[C@H]2COC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000598392178 478801888 /nfs/dbraw/zinc/80/18/88/478801888.db2.gz GCGFXDHVWCFDJY-NWDGAFQWSA-N 0 0 336.363 2.506 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000598393466 478802178 /nfs/dbraw/zinc/80/21/78/478802178.db2.gz JUCVCKFDEPQJTM-VXGBXAGGSA-N 0 0 336.413 2.815 10 5 EFBERN Cc1ccncc1N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595468945 478802479 /nfs/dbraw/zinc/80/24/79/478802479.db2.gz FAQINWPJANYSFT-UHFFFAOYSA-N 0 0 330.363 2.760 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1cscn1 ZINC000595471750 478802828 /nfs/dbraw/zinc/80/28/28/478802828.db2.gz PNSBNSIEDNDHMB-SECBINFHSA-N 0 0 336.373 2.620 10 5 EFBERN CO[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000598394982 478803545 /nfs/dbraw/zinc/80/35/45/478803545.db2.gz PSCDKYWWIDIPNE-HNNXBMFYSA-N 0 0 342.342 2.737 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000595472693 478803804 /nfs/dbraw/zinc/80/38/04/478803804.db2.gz RLDIYRHVUXQPBS-SLEUVZQESA-N 0 0 333.388 2.839 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@]2(C)CCCS2)c([N+](=O)[O-])s1 ZINC000601370711 478806920 /nfs/dbraw/zinc/80/69/20/478806920.db2.gz VZMCUATVQBYVQB-NSHDSACASA-N 0 0 336.460 2.529 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595476791 478806854 /nfs/dbraw/zinc/80/68/54/478806854.db2.gz PRWCJPOCRHRLKO-CYBMUJFWSA-N 0 0 333.388 2.838 10 5 EFBERN COc1cc(CN[C@H](CCO)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000592162318 478807204 /nfs/dbraw/zinc/80/72/04/478807204.db2.gz VYIHJYDBIMSQRB-OAHLLOKOSA-N 0 0 334.347 2.956 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(c2ccon2)CC1 ZINC000595476507 478807884 /nfs/dbraw/zinc/80/78/84/478807884.db2.gz NFZGEBKKNIDDSN-UHFFFAOYSA-N 0 0 330.344 2.672 10 5 EFBERN Cc1cc(S(=O)(=O)N(CC(F)F)C(C)C)c([N+](=O)[O-])s1 ZINC000601374169 478808557 /nfs/dbraw/zinc/80/85/57/478808557.db2.gz BQCPQXJSFNEOKA-UHFFFAOYSA-N 0 0 328.362 2.629 10 5 EFBERN C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595477165 478808902 /nfs/dbraw/zinc/80/89/02/478808902.db2.gz RGUFQMCTIDXPJQ-BONVTDFDSA-N 0 0 343.330 2.549 10 5 EFBERN Cc1c(CC(=O)NCC2(O)CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000598422726 478815684 /nfs/dbraw/zinc/81/56/84/478815684.db2.gz DXBDMJFIBRDCQT-UHFFFAOYSA-N 0 0 342.342 2.502 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCN2 ZINC000592182967 478815884 /nfs/dbraw/zinc/81/58/84/478815884.db2.gz FIYJXVCZBBEAHK-UHFFFAOYSA-N 0 0 325.368 2.925 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CCC(F)(F)CC1 ZINC000598423813 478816519 /nfs/dbraw/zinc/81/65/19/478816519.db2.gz VXECAEVGMZDEPD-UHFFFAOYSA-N 0 0 328.315 2.573 10 5 EFBERN O=C(NCC1(O)CCC(F)(F)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598423508 478816715 /nfs/dbraw/zinc/81/67/15/478816715.db2.gz MDECRDVZEXBIES-UHFFFAOYSA-N 0 0 348.733 2.918 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H]2CCCCS2)c([N+](=O)[O-])s1 ZINC000601390820 478816965 /nfs/dbraw/zinc/81/69/65/478816965.db2.gz JDHODDXXJJJXDO-SECBINFHSA-N 0 0 336.460 2.529 10 5 EFBERN C[C@H](C(=O)NCC1(O)CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598423623 478817302 /nfs/dbraw/zinc/81/73/02/478817302.db2.gz RLHYCTUBQHQTKS-NSHDSACASA-N 0 0 342.342 2.755 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3Cc4ccc(F)cc43)no2)n1 ZINC000601393345 478817836 /nfs/dbraw/zinc/81/78/36/478817836.db2.gz GPWSHVMSFCVMQL-NSHDSACASA-N 0 0 329.291 2.688 10 5 EFBERN O=C(c1cn2c(n1)CCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000572366348 478818134 /nfs/dbraw/zinc/81/81/34/478818134.db2.gz OZRZYCVRGJSKBU-AWEZNQCLSA-N 0 0 340.383 2.757 10 5 EFBERN CCOc1ccc(NC(=O)CN2CC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595494035 478818645 /nfs/dbraw/zinc/81/86/45/478818645.db2.gz IQLSOJYNOUWGEW-LBPRGKRZSA-N 0 0 347.293 2.569 10 5 EFBERN COc1ccc(NC(=O)CCN2CC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595496139 478818744 /nfs/dbraw/zinc/81/87/44/478818744.db2.gz WQMMPXZYGBYWEM-LBPRGKRZSA-N 0 0 347.293 2.569 10 5 EFBERN CCOc1ccc(NC(=O)CN2CC[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595494034 478819082 /nfs/dbraw/zinc/81/90/82/478819082.db2.gz IQLSOJYNOUWGEW-GFCCVEGCSA-N 0 0 347.293 2.569 10 5 EFBERN O=C(N[C@H](CO)c1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601396080 478819083 /nfs/dbraw/zinc/81/90/83/478819083.db2.gz LIFXKXRGBMDZIJ-QGZVFWFLSA-N 0 0 340.379 2.866 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[C@H](C(F)(F)F)C3)nn21 ZINC000502325527 478819230 /nfs/dbraw/zinc/81/92/30/478819230.db2.gz KGJJNHYDACIYKX-UWVGGRQHSA-N 0 0 343.309 2.840 10 5 EFBERN Cc1c(CNS(=O)(=O)C2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000601401967 478820090 /nfs/dbraw/zinc/82/00/90/478820090.db2.gz YNEQTHXUVAJUMA-UHFFFAOYSA-N 0 0 326.418 2.901 10 5 EFBERN Cc1cc(S(=O)(=O)NCc2cscc2C)c([N+](=O)[O-])s1 ZINC000601405521 478821698 /nfs/dbraw/zinc/82/16/98/478821698.db2.gz WHKUDAKASRTJNQ-UHFFFAOYSA-N 0 0 332.428 2.813 10 5 EFBERN CCN([C@H](C)C(F)(F)F)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601406444 478823351 /nfs/dbraw/zinc/82/33/51/478823351.db2.gz AAOISHHZDCGDEK-SSDOTTSWSA-N 0 0 346.352 2.926 10 5 EFBERN CC(C)C1(S(=O)(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000601414191 478826057 /nfs/dbraw/zinc/82/60/57/478826057.db2.gz SHCICEOXTKVMCI-UHFFFAOYSA-N 0 0 326.418 2.588 10 5 EFBERN CCOC(C)(C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572398433 478826421 /nfs/dbraw/zinc/82/64/21/478826421.db2.gz MEKZDHJRDOXSGY-UHFFFAOYSA-N 0 0 348.403 2.733 10 5 EFBERN Cc1c(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000492108967 478826520 /nfs/dbraw/zinc/82/65/20/478826520.db2.gz QWHVQRXSKUXYHB-JTQLQIEISA-N 0 0 341.314 2.536 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(c2ncns2)CC1 ZINC000595514593 478829219 /nfs/dbraw/zinc/82/92/19/478829219.db2.gz AQOZDLKORYJGLK-LBPRGKRZSA-N 0 0 333.417 2.638 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601428830 478830414 /nfs/dbraw/zinc/83/04/14/478830414.db2.gz GEZFYROAXLSCIG-DGCLKSJQSA-N 0 0 342.442 2.774 10 5 EFBERN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000595518634 478830750 /nfs/dbraw/zinc/83/07/50/478830750.db2.gz IVRXFLLDKWCGJN-CYBMUJFWSA-N 0 0 345.403 2.711 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2COC[C@H]2C1 ZINC000595520937 478831980 /nfs/dbraw/zinc/83/19/80/478831980.db2.gz TVRYBWRCRHQWRY-HZPDHXFCSA-N 0 0 347.415 2.595 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598454215 478832263 /nfs/dbraw/zinc/83/22/63/478832263.db2.gz BDMKQWFSMRWOKV-JEBQAFNWSA-N 0 0 341.342 2.600 10 5 EFBERN CC1(C)OCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000598453639 478832536 /nfs/dbraw/zinc/83/25/36/478832536.db2.gz HJIJNACORYKYMA-CYBMUJFWSA-N 0 0 335.404 2.718 10 5 EFBERN CCOC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601437255 478832671 /nfs/dbraw/zinc/83/26/71/478832671.db2.gz UCHPWQXRCXECJE-NSHDSACASA-N 0 0 348.446 2.544 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598456754 478833328 /nfs/dbraw/zinc/83/33/28/478833328.db2.gz LNFZOERWUTWIAY-BPQIPLTHSA-N 0 0 342.326 2.567 10 5 EFBERN COc1cc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)ccc1[N+](=O)[O-] ZINC000598455724 478833659 /nfs/dbraw/zinc/83/36/59/478833659.db2.gz GOGXJPZQTBJIJN-XOKHGSTOSA-N 0 0 342.326 2.811 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598459372 478835097 /nfs/dbraw/zinc/83/50/97/478835097.db2.gz WAYDPFXGRAJWPA-BPQIPLTHSA-N 0 0 326.327 2.731 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC12CCSCC2 ZINC000583374772 478835407 /nfs/dbraw/zinc/83/54/07/478835407.db2.gz CNMQNVOJMKUHIG-ZDUSSCGKSA-N 0 0 335.429 2.927 10 5 EFBERN CCCC[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)OC ZINC000601443132 478835891 /nfs/dbraw/zinc/83/58/91/478835891.db2.gz OSRXKOBGIARXRI-OAHLLOKOSA-N 0 0 348.399 2.865 10 5 EFBERN CCCCC[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000598461504 478836470 /nfs/dbraw/zinc/83/64/70/478836470.db2.gz RUQRPBSLBWMWMY-AWEZNQCLSA-N 0 0 335.404 2.718 10 5 EFBERN CCOc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])nc1C ZINC000598467019 478838352 /nfs/dbraw/zinc/83/83/52/478838352.db2.gz LQRDSRMTXMPKTC-UHFFFAOYSA-N 0 0 330.344 2.748 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CCC1CC1)CC1CC1 ZINC000598467649 478838713 /nfs/dbraw/zinc/83/87/13/478838713.db2.gz KGDXVDQEHKYMSM-UHFFFAOYSA-N 0 0 332.356 2.976 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H]1CCc2ccccc21 ZINC000598468688 478839088 /nfs/dbraw/zinc/83/90/88/478839088.db2.gz GKMCHRQOWLUTBZ-HNNXBMFYSA-N 0 0 342.399 2.678 10 5 EFBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)nc1C ZINC000598468889 478839171 /nfs/dbraw/zinc/83/91/71/478839171.db2.gz MZBQPSUIXVQRMY-UHFFFAOYSA-N 0 0 331.328 2.958 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])NC1(c2cccc(F)c2)CCC1 ZINC000592246355 478840280 /nfs/dbraw/zinc/84/02/80/478840280.db2.gz KASMMQMZKCBNLW-UHFFFAOYSA-N 0 0 330.319 2.752 10 5 EFBERN CCc1ccc(C(=O)NCC2(CC(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000598471229 478840766 /nfs/dbraw/zinc/84/07/66/478840766.db2.gz ITUAGRRMBLIILL-UHFFFAOYSA-N 0 0 347.415 2.713 10 5 EFBERN Cc1sc(C(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000598472010 478841209 /nfs/dbraw/zinc/84/12/09/478841209.db2.gz DXTXITDVBPVTGK-IINYFYTJSA-N 0 0 334.397 2.859 10 5 EFBERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595541799 478843697 /nfs/dbraw/zinc/84/36/97/478843697.db2.gz CRVJNKNIEPQCAC-FPMFFAJLSA-N 0 0 349.387 2.557 10 5 EFBERN O=C(N[C@@H]1CCC[C@H]1CCO)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601474911 478847723 /nfs/dbraw/zinc/84/77/23/478847723.db2.gz WJJYXTDIUWGZER-XJKSGUPXSA-N 0 0 332.400 2.684 10 5 EFBERN CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccco1 ZINC000601482109 478851547 /nfs/dbraw/zinc/85/15/47/478851547.db2.gz PDVSYSJRBFLIKY-CQSZACIVSA-N 0 0 336.369 2.960 10 5 EFBERN Cc1sc(S(=O)(=O)N2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000601498026 478852371 /nfs/dbraw/zinc/85/23/71/478852371.db2.gz MMRBDEDJPVQVNP-UHFFFAOYSA-N 0 0 336.410 2.725 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CCF)CC2)cc1C ZINC000601498017 478852470 /nfs/dbraw/zinc/85/24/70/478852470.db2.gz LYVVDTCLUOVJMO-UHFFFAOYSA-N 0 0 344.408 2.972 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC(CCF)CC2)cc1 ZINC000601497959 478852569 /nfs/dbraw/zinc/85/25/69/478852569.db2.gz KCKNBTSYLQMINX-UHFFFAOYSA-N 0 0 344.408 2.539 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(CCF)CC1 ZINC000601498258 478852613 /nfs/dbraw/zinc/85/26/13/478852613.db2.gz WBHIBGSWDAXEQX-UHFFFAOYSA-N 0 0 330.381 2.664 10 5 EFBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N(c1ccccc1)C1CCC1 ZINC000601500377 478854336 /nfs/dbraw/zinc/85/43/36/478854336.db2.gz TVTGFWCUGNGELZ-UHFFFAOYSA-N 0 0 333.369 2.738 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C)CC(F)F ZINC000592297697 478855702 /nfs/dbraw/zinc/85/57/02/478855702.db2.gz YZGFMARVQAMMPY-MRVPVSSYSA-N 0 0 343.330 2.558 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)CC(F)F ZINC000592296096 478856322 /nfs/dbraw/zinc/85/63/22/478856322.db2.gz APBGOKWQEPSEKW-QMMMGPOBSA-N 0 0 343.330 2.558 10 5 EFBERN C[C@@H](CC1CCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000601511233 478859018 /nfs/dbraw/zinc/85/90/18/478859018.db2.gz HORBMARQWMYGER-LBPRGKRZSA-N 0 0 326.418 2.635 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601514641 478861167 /nfs/dbraw/zinc/86/11/67/478861167.db2.gz HOXWHUFMQYLGOW-CQSZACIVSA-N 0 0 347.396 2.558 10 5 EFBERN COC(=O)C[C@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000595578435 478866130 /nfs/dbraw/zinc/86/61/30/478866130.db2.gz CNVDZZATOVWKIE-DGCLKSJQSA-N 0 0 349.387 2.544 10 5 EFBERN Cc1nc(C(F)(F)F)c(Cn2cc([N+](=O)[O-])cc(F)c2=O)s1 ZINC000592356482 478866550 /nfs/dbraw/zinc/86/65/50/478866550.db2.gz ZUSIVHJXOLCKDZ-UHFFFAOYSA-N 0 0 337.254 2.728 10 5 EFBERN O=c1c2cc([N+](=O)[O-])ccc2ccn1Cc1nc(C2CCCC2)no1 ZINC000592359674 478867137 /nfs/dbraw/zinc/86/71/37/478867137.db2.gz WHTYKCZTCISEPQ-UHFFFAOYSA-N 0 0 340.339 2.999 10 5 EFBERN Cc1nnc(CN(C)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000595581404 478867273 /nfs/dbraw/zinc/86/72/73/478867273.db2.gz LYKCMNMSZGLZHP-VIFPVBQESA-N 0 0 335.389 2.657 10 5 EFBERN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000598505339 478867329 /nfs/dbraw/zinc/86/73/29/478867329.db2.gz BDKBGFQVBNWMPA-CBAPKCEASA-N 0 0 338.307 2.838 10 5 EFBERN Cc1ccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598506330 478867377 /nfs/dbraw/zinc/86/73/77/478867377.db2.gz DZTHAKUNCIWMDV-LLVKDONJSA-N 0 0 332.278 2.697 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000598507327 478868649 /nfs/dbraw/zinc/86/86/49/478868649.db2.gz KXUASIUIIDHXIP-BXKDBHETSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@@H](C(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598512426 478872503 /nfs/dbraw/zinc/87/25/03/478872503.db2.gz SEYBQXSHIZTPCN-MFKMUULPSA-N 0 0 346.305 2.878 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000598512388 478873220 /nfs/dbraw/zinc/87/32/20/478873220.db2.gz ZEEOFDJDGSRHHT-KRWDZBQOSA-N 0 0 339.395 2.908 10 5 EFBERN COc1cccc([C@@H](C)N2CCN(c3ccncc3[N+](=O)[O-])CC2)c1 ZINC000505613203 478876043 /nfs/dbraw/zinc/87/60/43/478876043.db2.gz QXTQRUTYYUBBQD-CQSZACIVSA-N 0 0 342.399 2.882 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000592387458 478880193 /nfs/dbraw/zinc/88/01/93/478880193.db2.gz FVJRJEKIUNVDNL-LBPRGKRZSA-N 0 0 330.388 2.987 10 5 EFBERN C[C@@H]1CCn2cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])nc2C1 ZINC000601570178 478885627 /nfs/dbraw/zinc/88/56/27/478885627.db2.gz FQQAADBJGZBPKW-CYBMUJFWSA-N 0 0 342.399 2.688 10 5 EFBERN COc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)O)cc([N+](=O)[O-])c1C ZINC000598539580 478885836 /nfs/dbraw/zinc/88/58/36/478885836.db2.gz LPLSSNZXIUYEGA-SJKOYZFVSA-N 0 0 344.367 2.764 10 5 EFBERN C[C@H](O)[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598538709 478885857 /nfs/dbraw/zinc/88/58/57/478885857.db2.gz FVQKEIFQMSPBMA-UGSOOPFHSA-N 0 0 344.367 2.602 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598539303 478886012 /nfs/dbraw/zinc/88/60/12/478886012.db2.gz HCZPVYVIVWGULZ-ACJLOTCBSA-N 0 0 343.383 2.635 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000598543483 478887888 /nfs/dbraw/zinc/88/78/88/478887888.db2.gz NUNLXYJIQJSYKQ-HDICACEKSA-N 0 0 330.384 2.936 10 5 EFBERN Cc1cccc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)c1[N+](=O)[O-] ZINC000598544446 478888470 /nfs/dbraw/zinc/88/84/70/478888470.db2.gz XKKHVMJRYCVQFK-HDICACEKSA-N 0 0 330.384 2.936 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601584818 478891081 /nfs/dbraw/zinc/89/10/81/478891081.db2.gz ZBLPRJSTYIINNK-IAGOWNOFSA-N 0 0 347.415 2.784 10 5 EFBERN COCC1(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000598551295 478891211 /nfs/dbraw/zinc/89/12/11/478891211.db2.gz PVMXYEMBUSWYST-UHFFFAOYSA-N 0 0 336.388 2.611 10 5 EFBERN Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565033998 478891472 /nfs/dbraw/zinc/89/14/72/478891472.db2.gz DCWUPJUCHJRMSP-IUODEOHRSA-N 0 0 333.388 2.522 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601590583 478895755 /nfs/dbraw/zinc/89/57/55/478895755.db2.gz GVXFXFFYEXFFES-GIPNMCIBSA-N 0 0 341.795 2.656 10 5 EFBERN CNc1c(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598565867 478897907 /nfs/dbraw/zinc/89/79/07/478897907.db2.gz SKGSOBVJGBPCGE-PSLIRLAXSA-N 0 0 343.330 2.521 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000598564188 478898250 /nfs/dbraw/zinc/89/82/50/478898250.db2.gz KHPHDTXXPNRGOJ-BMIGLBTASA-N 0 0 328.315 2.788 10 5 EFBERN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598565615 478898717 /nfs/dbraw/zinc/89/87/17/478898717.db2.gz RPNOZTJCHKYZLC-MEDUHNTESA-N 0 0 342.342 2.799 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@](C)(C(F)F)C2)c1 ZINC000598569610 478901126 /nfs/dbraw/zinc/90/11/26/478901126.db2.gz AZUCASKTZGBJPM-CQSZACIVSA-N 0 0 346.355 2.813 10 5 EFBERN O=C(NCC[C@@H]1CSc2ccccc2O1)c1cc([N+](=O)[O-])c[nH]1 ZINC000592461279 478901559 /nfs/dbraw/zinc/90/15/59/478901559.db2.gz PHTQJQDJTJQNRL-LLVKDONJSA-N 0 0 333.369 2.596 10 5 EFBERN COc1ccc(CSCC(=O)N2CC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000601604198 478902266 /nfs/dbraw/zinc/90/22/66/478902266.db2.gz BFXSEOLXIPYIPZ-JTQLQIEISA-N 0 0 346.355 2.703 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000598573234 478903479 /nfs/dbraw/zinc/90/34/79/478903479.db2.gz BADFBOWYUHOPEO-SNVBAGLBSA-N 0 0 344.371 2.696 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc2c(c1)CCCO2 ZINC000598575572 478904759 /nfs/dbraw/zinc/90/47/59/478904759.db2.gz JJVSRURNFYGQNB-NSHDSACASA-N 0 0 329.356 2.749 10 5 EFBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H]1C(F)F ZINC000601607315 478905290 /nfs/dbraw/zinc/90/52/90/478905290.db2.gz OJUUKKHOYMBWNZ-AWEZNQCLSA-N 0 0 339.342 2.677 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000601609788 478906472 /nfs/dbraw/zinc/90/64/72/478906472.db2.gz HNZXYFJQTMIRAM-KYOSRNDESA-N 0 0 336.363 2.890 10 5 EFBERN CCCc1n[nH]c(C(=O)NCC(C)(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000598581006 478910135 /nfs/dbraw/zinc/91/01/35/478910135.db2.gz FPUXAQPJZJAMSW-UHFFFAOYSA-N 0 0 336.314 2.979 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000595659784 478919742 /nfs/dbraw/zinc/91/97/42/478919742.db2.gz AKFAKVTUCGNUHZ-CQSZACIVSA-N 0 0 330.331 2.584 10 5 EFBERN COC1CC(CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000595659726 478920086 /nfs/dbraw/zinc/92/00/86/478920086.db2.gz DGIQNJATEWVQAP-UHFFFAOYSA-N 0 0 335.404 2.594 10 5 EFBERN COC(=O)CN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000595664202 478923309 /nfs/dbraw/zinc/92/33/09/478923309.db2.gz QDRGWSBXNFESDS-UHFFFAOYSA-N 0 0 336.388 2.911 10 5 EFBERN Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2N)c(C)c1[N+](=O)[O-] ZINC000598606505 478923746 /nfs/dbraw/zinc/92/37/46/478923746.db2.gz GKTINCHWAGGVIZ-UHFFFAOYSA-N 0 0 349.412 2.615 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)c(C)c1[N+](=O)[O-] ZINC000598609475 478924968 /nfs/dbraw/zinc/92/49/68/478924968.db2.gz YGULKAGSRZMPKN-BXKDBHETSA-N 0 0 330.381 2.580 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595672888 478926724 /nfs/dbraw/zinc/92/67/24/478926724.db2.gz CNLOIFRBJCPHOB-QGZVFWFLSA-N 0 0 343.383 2.967 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@@H]2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598612806 478927031 /nfs/dbraw/zinc/92/70/31/478927031.db2.gz DCZWLYDUXXEJIT-SNVBAGLBSA-N 0 0 338.307 2.537 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613005 478927228 /nfs/dbraw/zinc/92/72/28/478927228.db2.gz UREIQWPEDWIWEG-SFHVURJKSA-N 0 0 341.367 2.944 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595675119 478927618 /nfs/dbraw/zinc/92/76/18/478927618.db2.gz OIFCTTNAEXBHAT-GFCCVEGCSA-N 0 0 334.372 2.605 10 5 EFBERN C[C@H]1COC2(CCC2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595675120 478927698 /nfs/dbraw/zinc/92/76/98/478927698.db2.gz OIFCTTNAEXBHAT-LBPRGKRZSA-N 0 0 334.372 2.605 10 5 EFBERN Cc1ccc(S(=O)(=O)NC[C@H](C)CC(F)F)c(C)c1[N+](=O)[O-] ZINC000598615709 478927936 /nfs/dbraw/zinc/92/79/36/478927936.db2.gz RXVUHURBAHAPAO-MRVPVSSYSA-N 0 0 336.360 2.781 10 5 EFBERN COC(=O)c1ccnc(N2CCO[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598619239 478930652 /nfs/dbraw/zinc/93/06/52/478930652.db2.gz MYMMULIBROABRS-CQSZACIVSA-N 0 0 349.387 2.562 10 5 EFBERN COC(=O)c1ccnc(N2CCC(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000598619656 478930663 /nfs/dbraw/zinc/93/06/63/478930663.db2.gz ZZEONAKWIIHZRH-UHFFFAOYSA-N 0 0 342.355 2.555 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CC2(F)F)c1C ZINC000598623334 478931151 /nfs/dbraw/zinc/93/11/51/478931151.db2.gz WOISRQYIMOQRFW-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NCC[C@@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000598622779 478931672 /nfs/dbraw/zinc/93/16/72/478931672.db2.gz RQHKZTMTBSTXFT-SNVBAGLBSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NCC[C@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000598622778 478931910 /nfs/dbraw/zinc/93/19/10/478931910.db2.gz RQHKZTMTBSTXFT-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000598625642 478932288 /nfs/dbraw/zinc/93/22/88/478932288.db2.gz RMIQWKBCHOCMST-CBAPKCEASA-N 0 0 333.266 2.554 10 5 EFBERN COC(=O)[C@H](c1cccc(OC)c1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000595682352 478933942 /nfs/dbraw/zinc/93/39/42/478933942.db2.gz WWLMUOKAWWUUHF-KRWDZBQOSA-N 0 0 344.367 2.950 10 5 EFBERN COC(=O)c1ccnc(N2CCc3ccccc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000598631959 478934702 /nfs/dbraw/zinc/93/47/02/478934702.db2.gz WBCANBZRVPUSJM-GFCCVEGCSA-N 0 0 341.367 2.943 10 5 EFBERN COC(=O)c1ccnc(N[C@@H](C2CC2)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000598630866 478934871 /nfs/dbraw/zinc/93/48/71/478934871.db2.gz NFFJURNRQUFBRZ-OLZOCXBDSA-N 0 0 335.360 2.536 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)OC3(CCC3)C2)c1 ZINC000592529847 478935314 /nfs/dbraw/zinc/93/53/14/478935314.db2.gz UAIKCENALKWJIS-LBPRGKRZSA-N 0 0 334.372 2.525 10 5 EFBERN Cc1cc(N[C@H]2CS(=O)(=O)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000598635450 478935527 /nfs/dbraw/zinc/93/55/27/478935527.db2.gz DGRWCDIITNZMGJ-HNNXBMFYSA-N 0 0 332.381 2.985 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1[N+](=O)[O-] ZINC000598636228 478938085 /nfs/dbraw/zinc/93/80/85/478938085.db2.gz VESFKSTUULVFPI-BFHYXJOUSA-N 0 0 343.314 2.666 10 5 EFBERN O=C(N1CC[C@@H]2COC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601669847 478941577 /nfs/dbraw/zinc/94/15/77/478941577.db2.gz JPMAJOIXEKYQCZ-KGLIPLIRSA-N 0 0 330.384 2.511 10 5 EFBERN O=C(NCC1CCC(O)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601670053 478941724 /nfs/dbraw/zinc/94/17/24/478941724.db2.gz IFYHXXQWJRCMED-UHFFFAOYSA-N 0 0 332.400 2.684 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@H](CC(F)(F)F)C1 ZINC000601672047 478943236 /nfs/dbraw/zinc/94/32/36/478943236.db2.gz BBYGHXSWDIALEY-MRVPVSSYSA-N 0 0 336.241 2.527 10 5 EFBERN O=C(N1CCC[C@](O)(C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601671643 478943366 /nfs/dbraw/zinc/94/33/66/478943366.db2.gz NHXGIYACPJDGCG-LJQANCHMSA-N 0 0 344.411 2.780 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCO[C@@H](CC(F)(F)F)C1 ZINC000601672048 478943563 /nfs/dbraw/zinc/94/35/63/478943563.db2.gz BBYGHXSWDIALEY-QMMMGPOBSA-N 0 0 336.241 2.527 10 5 EFBERN CC1(C)OCC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601674905 478944583 /nfs/dbraw/zinc/94/45/83/478944583.db2.gz KCZOXHCHPWYWEL-CQSZACIVSA-N 0 0 332.400 2.948 10 5 EFBERN CC1(C)Cc2n[nH]cc2CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601676530 478945496 /nfs/dbraw/zinc/94/54/96/478945496.db2.gz VHFNZLRKIRMHTC-UHFFFAOYSA-N 0 0 332.335 2.682 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1C[C@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595711578 478951153 /nfs/dbraw/zinc/95/11/53/478951153.db2.gz IXHAEIAJDHODNV-LEWSCRJBSA-N 0 0 344.375 2.643 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000565229309 478957627 /nfs/dbraw/zinc/95/76/27/478957627.db2.gz LGRDGRRZCAPFQT-ZDUSSCGKSA-N 0 0 334.294 2.743 10 5 EFBERN CCOc1ccc(N(CC2CC2)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000601700167 478958670 /nfs/dbraw/zinc/95/86/70/478958670.db2.gz IZAHYTNAYBWMGM-UHFFFAOYSA-N 0 0 344.371 2.784 10 5 EFBERN CC[C@H](NC(=O)[C@H]1CCc2ncncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000592601996 478959077 /nfs/dbraw/zinc/95/90/77/478959077.db2.gz IXJWCDBBSJYYGP-BBRMVZONSA-N 0 0 340.383 2.757 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cn(C3CCC3)nn2)cc1[N+](=O)[O-] ZINC000592602782 478959790 /nfs/dbraw/zinc/95/97/90/478959790.db2.gz OIHRHWSGJTZYIC-LLVKDONJSA-N 0 0 329.360 2.711 10 5 EFBERN O=C(N[C@@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1SCCO ZINC000601703151 478961363 /nfs/dbraw/zinc/96/13/63/478961363.db2.gz FHIVXBCPTRLBTG-CQSZACIVSA-N 0 0 336.413 2.742 10 5 EFBERN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595732299 478963199 /nfs/dbraw/zinc/96/31/99/478963199.db2.gz LOILRRTWCYDGSZ-MSRIBSCDSA-N 0 0 343.221 2.806 10 5 EFBERN COC(=O)[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595736228 478967155 /nfs/dbraw/zinc/96/71/55/478967155.db2.gz ZZXXOSLTUGIYAQ-INMHGKMJSA-N 0 0 348.399 2.854 10 5 EFBERN C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@@H]1CCCO1 ZINC000598683082 478968649 /nfs/dbraw/zinc/96/86/49/478968649.db2.gz VSZZFGKCPAAGPH-ABAIWWIYSA-N 0 0 344.371 2.551 10 5 EFBERN C[C@H](C1CC1)N(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000601713805 478968853 /nfs/dbraw/zinc/96/88/53/478968853.db2.gz DCJACJOMQLPPLH-CYBMUJFWSA-N 0 0 341.367 2.588 10 5 EFBERN CC(F)(F)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583914650 478969102 /nfs/dbraw/zinc/96/91/02/478969102.db2.gz QTFWLEVXCBMEEE-UHFFFAOYSA-N 0 0 326.303 2.573 10 5 EFBERN CC(C)(C)CN1CCC[C@@H](N2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000545894731 478969222 /nfs/dbraw/zinc/96/92/22/478969222.db2.gz RJPOMXHYYVQPCH-QGZVFWFLSA-N 0 0 345.443 2.990 10 5 EFBERN O=C(CN1CCC[C@@H](CCF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595756657 478978169 /nfs/dbraw/zinc/97/81/69/478978169.db2.gz VKTFMIFKKUKOEG-ZDUSSCGKSA-N 0 0 335.379 2.556 10 5 EFBERN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(CCF)CC1 ZINC000601746567 478981724 /nfs/dbraw/zinc/98/17/24/478981724.db2.gz BWONLWBQYQOWJH-UHFFFAOYSA-N 0 0 346.362 2.992 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cn(CCCCc2cccc(Cl)c2)c1=O ZINC000598714435 478986830 /nfs/dbraw/zinc/98/68/30/478986830.db2.gz ZOBWYBJBYPDFSB-UHFFFAOYSA-N 0 0 349.774 2.532 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H](C)O[C@@H]1C ZINC000601759226 478988892 /nfs/dbraw/zinc/98/88/92/478988892.db2.gz BDMSCJWLFKPLKS-BFLSOPEQSA-N 0 0 342.779 2.698 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](O)C(F)F ZINC000601762362 478989525 /nfs/dbraw/zinc/98/95/25/478989525.db2.gz FOWTUGDAALHHNC-LLVKDONJSA-N 0 0 348.371 2.841 10 5 EFBERN O=C(NCC[C@H]1CSc2ccccc2O1)c1ccc([N+](=O)[O-])o1 ZINC000592672084 478989658 /nfs/dbraw/zinc/98/96/58/478989658.db2.gz BLUSVINSJNRXQR-JTQLQIEISA-N 0 0 334.353 2.861 10 5 EFBERN CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601763406 478990401 /nfs/dbraw/zinc/99/04/01/478990401.db2.gz LQVOZXYNRQPOCF-GFCCVEGCSA-N 0 0 330.331 2.638 10 5 EFBERN C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)CC(F)F ZINC000592672923 478991360 /nfs/dbraw/zinc/99/13/60/478991360.db2.gz QAQOZSNCERUTBN-JTQLQIEISA-N 0 0 338.314 2.802 10 5 EFBERN COc1ccccc1C1(NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000592677090 478991637 /nfs/dbraw/zinc/99/16/37/478991637.db2.gz SFDVRXLSIRCGQC-UHFFFAOYSA-N 0 0 327.340 2.726 10 5 EFBERN COc1ccccc1C1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000592676669 478991969 /nfs/dbraw/zinc/99/19/69/478991969.db2.gz PBUYSJXGCBXGLC-UHFFFAOYSA-N 0 0 326.352 2.951 10 5 EFBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000592681439 478993290 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Cc1ccc(CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])n2C)cn1 ZINC000592681671 478995390 /nfs/dbraw/zinc/99/53/90/478995390.db2.gz OLKQJGSVBHWPMW-UHFFFAOYSA-N 0 0 328.372 2.689 10 5 EFBERN O=C(N[C@]12C[C@H]1CCCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000601775193 478996315 /nfs/dbraw/zinc/99/63/15/478996315.db2.gz NWXFHCOCVLHEPQ-CXAGYDPISA-N 0 0 326.356 2.843 10 5 EFBERN Cc1c(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccn1C(C)C ZINC000601775537 478996327 /nfs/dbraw/zinc/99/63/27/478996327.db2.gz FNXLWSPHBCHMEG-SFHVURJKSA-N 0 0 345.399 2.923 10 5 EFBERN COc1ccc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000598735663 478996911 /nfs/dbraw/zinc/99/69/11/478996911.db2.gz ZGGBJBATMKYQAI-LLVKDONJSA-N 0 0 336.369 2.674 10 5 EFBERN C[C@@](CO)(NC(=O)CCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601777832 478998193 /nfs/dbraw/zinc/99/81/93/478998193.db2.gz LQQQKWJEPGZORB-SFHVURJKSA-N 0 0 346.358 2.690 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000601777915 478998738 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343.383 2.917 10 5 EFBERN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000592881046 479086938 /nfs/dbraw/zinc/08/69/38/479086938.db2.gz JSJWVMIPEBGHOV-UHFFFAOYSA-N 0 0 338.360 2.772 10 5 EFBERN Cc1cc(NC[C@H](C(=O)[O-])C2CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000595977502 479088045 /nfs/dbraw/zinc/08/80/45/479088045.db2.gz LGSVFMNNYXHXNU-AWEZNQCLSA-N 0 0 329.356 2.786 10 5 EFBERN CC1(C)Cc2n[nH]cc2CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000596001892 479091330 /nfs/dbraw/zinc/09/13/30/479091330.db2.gz ZBAPKLZMAGQFMU-UHFFFAOYSA-N 0 0 344.400 2.912 10 5 EFBERN CC(C)c1ncc2c(n1)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598937303 479091411 /nfs/dbraw/zinc/09/14/11/479091411.db2.gz LXVLOKLFCIRPIS-UHFFFAOYSA-N 0 0 340.383 2.636 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H]1SC ZINC000592892136 479092015 /nfs/dbraw/zinc/09/20/15/479092015.db2.gz KBAZEEMSJAEJHV-KYOSRNDESA-N 0 0 349.412 2.715 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596004888 479092378 /nfs/dbraw/zinc/09/23/78/479092378.db2.gz QSUFKJMJCOLMTD-UHFFFAOYSA-N 0 0 328.372 2.851 10 5 EFBERN Cc1sc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000596004429 479092574 /nfs/dbraw/zinc/09/25/74/479092574.db2.gz HOSIWPVKMBMREQ-UHFFFAOYSA-N 0 0 348.428 2.923 10 5 EFBERN Cn1ncc2c1CC(C)(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000596005062 479092747 /nfs/dbraw/zinc/09/27/47/479092747.db2.gz VAAYARRENUYQEQ-UHFFFAOYSA-N 0 0 328.372 2.553 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596004643 479092847 /nfs/dbraw/zinc/09/28/47/479092847.db2.gz KHJGZPQSBWLSTK-UHFFFAOYSA-N 0 0 342.399 2.861 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCCc3ncccc32)c([N+](=O)[O-])s1 ZINC000601958376 479093349 /nfs/dbraw/zinc/09/33/49/479093349.db2.gz AOHPCYZOYREBPL-UHFFFAOYSA-N 0 0 339.398 2.501 10 5 EFBERN C[C@H](NC(=O)N1CCCc2n[nH]cc2C1)c1ccccc1[N+](=O)[O-] ZINC000596005991 479093708 /nfs/dbraw/zinc/09/37/08/479093708.db2.gz KHMSQEMGDWZMAQ-NSHDSACASA-N 0 0 329.360 2.537 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596007428 479093953 /nfs/dbraw/zinc/09/39/53/479093953.db2.gz COHAHOBAYPPEOZ-UHFFFAOYSA-N 0 0 342.399 2.861 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2n[nH]cc2C1 ZINC000596006325 479094378 /nfs/dbraw/zinc/09/43/78/479094378.db2.gz OAYJARGQKRSCCN-CQSZACIVSA-N 0 0 342.399 2.862 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCc2cccnc21 ZINC000598948443 479097036 /nfs/dbraw/zinc/09/70/36/479097036.db2.gz PWCRLUVBTDCMOX-AWEZNQCLSA-N 0 0 340.383 2.638 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592903758 479097962 /nfs/dbraw/zinc/09/79/62/479097962.db2.gz XUSDDLJYMSUWQT-QGZVFWFLSA-N 0 0 338.367 2.711 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000592939518 479102339 /nfs/dbraw/zinc/10/23/39/479102339.db2.gz GSGRACOJYDLLIL-OLZOCXBDSA-N 0 0 334.372 2.835 10 5 EFBERN CCOc1ccc(-c2nc(CC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000547306033 479104594 /nfs/dbraw/zinc/10/45/94/479104594.db2.gz HHGBBPTZEDDNBF-UHFFFAOYSA-N 0 0 349.343 2.928 10 5 EFBERN COc1ccc(CNC(=O)NC[C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000598968026 479106714 /nfs/dbraw/zinc/10/67/14/479106714.db2.gz WYXTVMCZQYBDKW-ZDUSSCGKSA-N 0 0 333.388 2.983 10 5 EFBERN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000592951027 479107409 /nfs/dbraw/zinc/10/74/09/479107409.db2.gz VOHWOBWETSXPRV-BXUZGUMPSA-N 0 0 333.388 2.984 10 5 EFBERN CCCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596054108 479109660 /nfs/dbraw/zinc/10/96/60/479109660.db2.gz LORKOWZRQVQQMR-UHFFFAOYSA-N 0 0 341.795 2.567 10 5 EFBERN O=[N+]([O-])c1ccc(CNC[C@H](n2cccn2)C(F)(F)F)c(F)c1 ZINC000598989495 479116226 /nfs/dbraw/zinc/11/62/26/479116226.db2.gz IZJRQJCHMYVCDZ-LBPRGKRZSA-N 0 0 332.257 2.824 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CC(CO)(c3ccccc3)C1)CCCC2 ZINC000573679124 479118565 /nfs/dbraw/zinc/11/85/65/479118565.db2.gz DEINEKPFPBZDFW-UHFFFAOYSA-N 0 0 339.395 2.619 10 5 EFBERN COC(=O)c1c(Cl)c(NCCC(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000596068106 479118614 /nfs/dbraw/zinc/11/86/14/479118614.db2.gz VUSLVSMEEQODCG-UHFFFAOYSA-N 0 0 344.751 2.788 10 5 EFBERN NC(=O)c1cc(N2CCC(c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000596067803 479119067 /nfs/dbraw/zinc/11/90/67/479119067.db2.gz AYZUNLSMRPHZQU-UHFFFAOYSA-N 0 0 341.367 2.783 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000547719722 479120633 /nfs/dbraw/zinc/12/06/33/479120633.db2.gz CILLFHSUILHGAH-CYBMUJFWSA-N 0 0 336.391 2.838 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599004883 479122821 /nfs/dbraw/zinc/12/28/21/479122821.db2.gz VBNSSMJCKRBLGP-DOTOQJQBSA-N 0 0 347.415 2.784 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596075713 479123208 /nfs/dbraw/zinc/12/32/08/479123208.db2.gz ORZRRUAOUMFHNI-IUCAKERBSA-N 0 0 328.752 2.648 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C[C@@H](C)O)c2ccccc2)c1 ZINC000593014940 479125541 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O=[N+]([O-])c1c2ccncc2ccc1N1CCN(c2nccs2)CC1 ZINC000599022153 479129910 /nfs/dbraw/zinc/12/99/10/479129910.db2.gz HQNQBTSMXKPAEQ-UHFFFAOYSA-N 0 0 341.396 2.926 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000573727357 479130188 /nfs/dbraw/zinc/13/01/88/479130188.db2.gz QWYYDQLUUPGIAQ-YWPYICTPSA-N 0 0 334.372 2.787 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCSC[C@H]2C2CC2)c1 ZINC000593030926 479133891 /nfs/dbraw/zinc/13/38/91/479133891.db2.gz RREJSYPAQNVNFW-HNNXBMFYSA-N 0 0 336.413 2.709 10 5 EFBERN CNC(=O)C1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596093551 479134707 /nfs/dbraw/zinc/13/47/07/479134707.db2.gz GIGZSFJAVMCLTR-UHFFFAOYSA-N 0 0 341.795 2.974 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000599042082 479134879 /nfs/dbraw/zinc/13/48/79/479134879.db2.gz HWPKBPKCDYHKNU-AWEZNQCLSA-N 0 0 344.342 2.944 10 5 EFBERN CO[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)C(F)(F)F ZINC000593031073 479135181 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C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC000599053393 479140079 /nfs/dbraw/zinc/14/00/79/479140079.db2.gz SLKSOEDNYLOEBK-IXPVHAAZSA-N 0 0 326.356 2.564 10 5 EFBERN O=[N+]([O-])c1c(NCCCOC[C@H]2CCOC2)ccc2cnccc21 ZINC000599049700 479140154 /nfs/dbraw/zinc/14/01/54/479140154.db2.gz ZTVHWFIJBYEQGT-CYBMUJFWSA-N 0 0 331.372 2.998 10 5 EFBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1nc(C3CCCC3)no1)CCCC2 ZINC000515300573 479142591 /nfs/dbraw/zinc/14/25/91/479142591.db2.gz JSWHOSHQKZDQGN-UHFFFAOYSA-N 0 0 344.371 2.724 10 5 EFBERN CCCn1c(CO)nnc1Sc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058636 479142899 /nfs/dbraw/zinc/14/28/99/479142899.db2.gz DUSVHFFXIIBBNT-UHFFFAOYSA-N 0 0 345.384 2.788 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCC(OCCCO)CC1 ZINC000599058125 479143046 /nfs/dbraw/zinc/14/30/46/479143046.db2.gz RKDMFVYGJRLMMD-UHFFFAOYSA-N 0 0 331.372 2.511 10 5 EFBERN COc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596110244 479143439 /nfs/dbraw/zinc/14/34/39/479143439.db2.gz 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ZINC000596114958 479146738 /nfs/dbraw/zinc/14/67/38/479146738.db2.gz PHFUIOVMLRASCS-MNOVXSKESA-N 0 0 343.811 2.778 10 5 EFBERN COc1cc(NCC(=O)NC2CCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596118310 479147750 /nfs/dbraw/zinc/14/77/50/479147750.db2.gz VVYKGUVKYWULAD-UHFFFAOYSA-N 0 0 327.768 2.728 10 5 EFBERN COc1cc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cnc1OC ZINC000599067370 479147831 /nfs/dbraw/zinc/14/78/31/479147831.db2.gz VJTYDTXHHLXWKV-STQMWFEESA-N 0 0 347.375 2.799 10 5 EFBERN CC(C)(C)OC(=O)[C@](C)(O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599068971 479147850 /nfs/dbraw/zinc/14/78/50/479147850.db2.gz RQVSHTWVDIDNEC-QGZVFWFLSA-N 0 0 347.371 2.648 10 5 EFBERN C[C@H](O)C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596118457 479147941 /nfs/dbraw/zinc/14/79/41/479147941.db2.gz ADBSLVUHNCIFHI-VIFPVBQESA-N 0 0 329.194 2.955 10 5 EFBERN O=C([C@@H]1CCCC12CC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599071175 479148941 /nfs/dbraw/zinc/14/89/41/479148941.db2.gz PLAQZCHAIHIGBI-INIZCTEOSA-N 0 0 329.400 2.824 10 5 EFBERN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599071219 479148961 /nfs/dbraw/zinc/14/89/61/479148961.db2.gz RIVNXIXUNOUOJF-YVEFUNNKSA-N 0 0 329.356 2.527 10 5 EFBERN NC(=O)C1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596120561 479149684 /nfs/dbraw/zinc/14/96/84/479149684.db2.gz USSHDRNRCREGMY-UHFFFAOYSA-N 0 0 342.193 2.813 10 5 EFBERN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599071218 479149876 /nfs/dbraw/zinc/14/98/76/479149876.db2.gz RIVNXIXUNOUOJF-SJKOYZFVSA-N 0 0 329.356 2.527 10 5 EFBERN Cn1cc([C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000593060720 479152242 /nfs/dbraw/zinc/15/22/42/479152242.db2.gz BWJZUZZRBYYMBQ-MRXNPFEDSA-N 0 0 348.378 2.914 10 5 EFBERN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000599076518 479152438 /nfs/dbraw/zinc/15/24/38/479152438.db2.gz CBZOWZXYYYTDLJ-ZDUSSCGKSA-N 0 0 343.383 2.917 10 5 EFBERN CCCN1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC000599078677 479152905 /nfs/dbraw/zinc/15/29/05/479152905.db2.gz JPVZBSLDTUTWFS-UHFFFAOYSA-N 0 0 328.372 2.592 10 5 EFBERN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000593066283 479154641 /nfs/dbraw/zinc/15/46/41/479154641.db2.gz AYEKVYMAUGYNDS-AWEZNQCLSA-N 0 0 332.360 2.646 10 5 EFBERN COc1cc(NCC2(O)Cc3ccccc3C2)c([N+](=O)[O-])cc1C ZINC000596136175 479157520 /nfs/dbraw/zinc/15/75/20/479157520.db2.gz VSNQKIANYGVGKH-UHFFFAOYSA-N 0 0 328.368 2.854 10 5 EFBERN COc1cc(N2CCN(CCCF)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000599091496 479157477 /nfs/dbraw/zinc/15/74/77/479157477.db2.gz ANRGHSBQNMUSMV-UHFFFAOYSA-N 0 0 331.775 2.738 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](Oc3ccncc3)C1)CCCC2 ZINC000515377984 479157489 /nfs/dbraw/zinc/15/74/89/479157489.db2.gz JOLCVNJZMRNTSU-OAHLLOKOSA-N 0 0 340.383 2.921 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCC(Cn2cnnc2)CC1 ZINC000599095566 479158870 /nfs/dbraw/zinc/15/88/70/479158870.db2.gz HGFPZOHUTCNFCG-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN CCc1nncn1CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596139964 479160444 /nfs/dbraw/zinc/16/04/44/479160444.db2.gz AVSCMXDBTNDONN-UHFFFAOYSA-N 0 0 325.756 2.523 10 5 EFBERN COC(=O)[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000599098541 479160764 /nfs/dbraw/zinc/16/07/64/479160764.db2.gz WQEOENUBXFVWML-LSDHHAIUSA-N 0 0 341.367 2.778 10 5 EFBERN C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000596140334 479160789 /nfs/dbraw/zinc/16/07/89/479160789.db2.gz GQJHKRMKNMERJM-QMTHXVAHSA-N 0 0 333.319 2.801 10 5 EFBERN C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000596140396 479160952 /nfs/dbraw/zinc/16/09/52/479160952.db2.gz HVZXCPHCIWWOSS-HZMBPMFUSA-N 0 0 332.335 2.678 10 5 EFBERN Cc1cc(C)c2c(c1)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000593079855 479162275 /nfs/dbraw/zinc/16/22/75/479162275.db2.gz DAKSDOVSSAPUFM-UHFFFAOYSA-N 0 0 341.367 2.710 10 5 EFBERN Cn1cc([C@H]2C[C@H](Nc3ncc([N+](=O)[O-])cc3Cl)CCO2)cn1 ZINC000599109682 479163861 /nfs/dbraw/zinc/16/38/61/479163861.db2.gz XMOFSCMTEZVTHG-ZWNOBZJWSA-N 0 0 337.767 2.709 10 5 EFBERN C[C@H]1CC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000599108960 479163886 /nfs/dbraw/zinc/16/38/86/479163886.db2.gz XECTXOBCDNQBOT-CMPLNLGQSA-N 0 0 335.385 2.521 10 5 EFBERN Cn1c2cc(NC[C@@H]3CC[C@@H]4C[C@@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599114748 479164680 /nfs/dbraw/zinc/16/46/80/479164680.db2.gz BAAFWAKWDYNRLL-UTUOFQBUSA-N 0 0 330.388 2.633 10 5 EFBERN C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2(CCC2)CO1 ZINC000593088555 479165776 /nfs/dbraw/zinc/16/57/76/479165776.db2.gz GYASGSUQSCXYKU-LBPRGKRZSA-N 0 0 344.371 2.788 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596155225 479167846 /nfs/dbraw/zinc/16/78/46/479167846.db2.gz QJRNDQDEQJXTSJ-VIFPVBQESA-N 0 0 328.752 2.508 10 5 EFBERN CC1(C)C[C@H](Sc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CO1 ZINC000599124868 479168764 /nfs/dbraw/zinc/16/87/64/479168764.db2.gz BPVONUVDWLOKFY-JTQLQIEISA-N 0 0 331.415 2.658 10 5 EFBERN CNC(=O)c1ccc(NC[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])c1 ZINC000599124715 479168979 /nfs/dbraw/zinc/16/89/79/479168979.db2.gz QEVGPPWYAUCVAG-HNNXBMFYSA-N 0 0 341.367 2.508 10 5 EFBERN COc1cc(NCCCO[C@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596157179 479169277 /nfs/dbraw/zinc/16/92/77/479169277.db2.gz QBTWAUDRVHNXLF-JTQLQIEISA-N 0 0 330.768 2.864 10 5 EFBERN COC(=O)c1cnc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599125795 479169995 /nfs/dbraw/zinc/16/99/95/479169995.db2.gz BVCWLXKHABALCE-CQSZACIVSA-N 0 0 348.403 2.595 10 5 EFBERN COC(=O)Cc1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000599125320 479170091 /nfs/dbraw/zinc/17/00/91/479170091.db2.gz DAAAHOQODIKTJA-UHFFFAOYSA-N 0 0 329.356 2.934 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000584535345 479170297 /nfs/dbraw/zinc/17/02/97/479170297.db2.gz DMTSDHVAKWYWNO-SLEUVZQESA-N 0 0 340.445 2.989 10 5 EFBERN C[C@]1(c2ccccc2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596165905 479173926 /nfs/dbraw/zinc/17/39/26/479173926.db2.gz UZVLHMOANBKEEQ-SFHVURJKSA-N 0 0 325.368 2.862 10 5 EFBERN O=C(NC1CC1)c1ccc(N2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])c1 ZINC000599133835 479174336 /nfs/dbraw/zinc/17/43/36/479174336.db2.gz ABBQBFAXSNAPFY-KGLIPLIRSA-N 0 0 347.440 2.961 10 5 EFBERN COc1cc(N2CCOC3(CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596164400 479174522 /nfs/dbraw/zinc/17/45/22/479174522.db2.gz AUQWKEOSYXVGGS-UHFFFAOYSA-N 0 0 342.779 2.643 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCCN1CC(F)F ZINC000599134553 479174972 /nfs/dbraw/zinc/17/49/72/479174972.db2.gz WKOPVMRPDLOIBZ-NSHDSACASA-N 0 0 336.342 2.706 10 5 EFBERN C[C@H](CCNc1c(Br)cccc1[N+](=O)[O-])[S@](C)=O ZINC000596166883 479176168 /nfs/dbraw/zinc/17/61/68/479176168.db2.gz ZCTQODRTRZKIDK-CVJBHZAOSA-N 0 0 335.223 2.926 10 5 EFBERN CCOc1cccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000610755466 479177717 /nfs/dbraw/zinc/17/77/17/479177717.db2.gz XBXADGWHNNNIRC-UHFFFAOYSA-N 0 0 330.344 2.753 10 5 EFBERN CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@H]1C ZINC000596172206 479177853 /nfs/dbraw/zinc/17/78/53/479177853.db2.gz INAVSUBAJHCOMR-SNVBAGLBSA-N 0 0 341.795 2.565 10 5 EFBERN COc1ccc(CN2CC[C@H]2CNc2ncccc2[N+](=O)[O-])cc1 ZINC000599140445 479179048 /nfs/dbraw/zinc/17/90/48/479179048.db2.gz STGCKRIIUDVUED-AWEZNQCLSA-N 0 0 328.372 2.685 10 5 EFBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000610760484 479179281 /nfs/dbraw/zinc/17/92/81/479179281.db2.gz NLRCOIRWFBGSCN-UHFFFAOYSA-N 0 0 333.319 2.500 10 5 EFBERN CCOc1cccc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000610760420 479179438 /nfs/dbraw/zinc/17/94/38/479179438.db2.gz IHIDDPVDNOTZPK-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN Cc1cc(N2CC3(C2)CCCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599145405 479180127 /nfs/dbraw/zinc/18/01/27/479180127.db2.gz RKNTVNYMRRKCNZ-UHFFFAOYSA-N 0 0 326.356 2.729 10 5 EFBERN Cn1nccc1[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593112006 479181069 /nfs/dbraw/zinc/18/10/69/479181069.db2.gz MIHHZDBQIZPXDV-OAHLLOKOSA-N 0 0 336.779 2.555 10 5 EFBERN CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596176517 479181142 /nfs/dbraw/zinc/18/11/42/479181142.db2.gz HNSMFDNHFYPPKC-SCZZXKLOSA-N 0 0 327.768 2.583 10 5 EFBERN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602112287 479181138 /nfs/dbraw/zinc/18/11/38/479181138.db2.gz YIRPSLVYPZKLKH-IOASZLSFSA-N 0 0 344.396 2.696 10 5 EFBERN CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596176519 479181694 /nfs/dbraw/zinc/18/16/94/479181694.db2.gz HNSMFDNHFYPPKC-WPRPVWTQSA-N 0 0 327.768 2.583 10 5 EFBERN CCC(F)(F)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000599149364 479182009 /nfs/dbraw/zinc/18/20/09/479182009.db2.gz KXEMEHWVFZSNMH-UHFFFAOYSA-N 0 0 329.347 2.884 10 5 EFBERN COC(=O)c1cc(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)cn1C ZINC000569806526 479181959 /nfs/dbraw/zinc/18/19/59/479181959.db2.gz MPMJITLVEWOLHL-UHFFFAOYSA-N 0 0 330.344 2.737 10 5 EFBERN O=C(CN1CC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593115220 479182427 /nfs/dbraw/zinc/18/24/27/479182427.db2.gz ANRIQWJKBWTMHD-ZDUSSCGKSA-N 0 0 345.733 2.918 10 5 EFBERN C[C@H](c1cccc(F)c1)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596178317 479182691 /nfs/dbraw/zinc/18/26/91/479182691.db2.gz IIZGIRYTPCZNEU-GFCCVEGCSA-N 0 0 346.362 2.718 10 5 EFBERN COc1cc(NC[C@](C)(O)C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596180121 479183586 /nfs/dbraw/zinc/18/35/86/479183586.db2.gz SVJBHLYOQCQWFX-JTQLQIEISA-N 0 0 328.674 2.982 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)c1ccccn1 ZINC000596181264 479183933 /nfs/dbraw/zinc/18/39/33/479183933.db2.gz YSPQIWYEAOLIDV-LBPRGKRZSA-N 0 0 344.371 2.601 10 5 EFBERN CCOc1ccc(C(=O)NCC2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000610779891 479184959 /nfs/dbraw/zinc/18/49/59/479184959.db2.gz IYNNMSLZDKPMEQ-UHFFFAOYSA-N 0 0 336.388 2.666 10 5 EFBERN NC(=O)c1cc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596181922 479184945 /nfs/dbraw/zinc/18/49/45/479184945.db2.gz HQNRFJRFJHOGIP-DYVFJYSZSA-N 0 0 341.367 2.883 10 5 EFBERN O=C(N=c1cc(-c2cccc(Cl)c2)[nH][nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000610776490 479185200 /nfs/dbraw/zinc/18/52/00/479185200.db2.gz JJAZFNFNORSGRC-UHFFFAOYSA-N 0 0 343.730 2.708 10 5 EFBERN CNS(=O)(=O)c1ccc(NCC[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000599156561 479185529 /nfs/dbraw/zinc/18/55/29/479185529.db2.gz YVMLLOVUJBMPDD-LBPRGKRZSA-N 0 0 339.417 2.661 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@]4(CC4(F)F)C3)n2)cc1 ZINC000593117919 479185785 /nfs/dbraw/zinc/18/57/85/479185785.db2.gz OIJIPHGRIDUNJP-AWEZNQCLSA-N 0 0 336.298 2.876 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCN(C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596181937 479185984 /nfs/dbraw/zinc/18/59/84/479185984.db2.gz HWTQKALXKODYDV-ZJUUUORDSA-N 0 0 341.795 2.564 10 5 EFBERN COc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596185080 479187344 /nfs/dbraw/zinc/18/73/44/479187344.db2.gz BGCCVHKFKGZJTA-SECBINFHSA-N 0 0 339.779 2.680 10 5 EFBERN COc1cc(N(C)C[C@@H](O)C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596184899 479187420 /nfs/dbraw/zinc/18/74/20/479187420.db2.gz JNMNRULGGCOUTA-SNVBAGLBSA-N 0 0 328.674 2.616 10 5 EFBERN NC(=O)c1ccnc(Nc2cccc(C3CCOCC3)c2)c1[N+](=O)[O-] ZINC000599161517 479188099 /nfs/dbraw/zinc/18/80/99/479188099.db2.gz QEMXMUIJHQKPAK-UHFFFAOYSA-N 0 0 342.355 2.726 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCOCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000596189600 479189077 /nfs/dbraw/zinc/18/90/77/479189077.db2.gz KXVWVSZACFJSJF-UHFFFAOYSA-N 0 0 340.763 2.652 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000599164806 479189846 /nfs/dbraw/zinc/18/98/46/479189846.db2.gz NUDTYDFKRWHZTI-UVMAFCGOSA-N 0 0 330.182 2.976 10 5 EFBERN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000599164471 479190143 /nfs/dbraw/zinc/19/01/43/479190143.db2.gz LXIZPEHILVFXMJ-TVQRCGJNSA-N 0 0 344.314 2.643 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599166492 479190974 /nfs/dbraw/zinc/19/09/74/479190974.db2.gz WNIDZSGPKYKNIU-CQSZACIVSA-N 0 0 333.388 2.810 10 5 EFBERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000599166658 479191310 /nfs/dbraw/zinc/19/13/10/479191310.db2.gz SLMXYBUAHJENML-FZMZJTMJSA-N 0 0 340.351 2.813 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2c3ccccc3C(=O)N2C)n1 ZINC000599166133 479191366 /nfs/dbraw/zinc/19/13/66/479191366.db2.gz WBDWMAJEBWAAPZ-CQSZACIVSA-N 0 0 326.356 2.845 10 5 EFBERN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000599166644 479191713 /nfs/dbraw/zinc/19/17/13/479191713.db2.gz SFZMJSFKLZVZMS-IINYFYTJSA-N 0 0 326.324 2.504 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599167986 479192530 /nfs/dbraw/zinc/19/25/30/479192530.db2.gz XZZLYRCBIGIOPF-PSVOKBTDSA-N 0 0 331.397 2.633 10 5 EFBERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556742102 479192557 /nfs/dbraw/zinc/19/25/57/479192557.db2.gz ZILCOHSQKHNHDO-HIFRSBDPSA-N 0 0 347.415 2.606 10 5 EFBERN COC(=O)C1(Oc2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000584602227 479192756 /nfs/dbraw/zinc/19/27/56/479192756.db2.gz PCLJVKMLHQODLD-UHFFFAOYSA-N 0 0 334.097 2.581 10 5 EFBERN CC(C)(CNc1nccc2cc([N+](=O)[O-])ccc21)C(=O)N1CCCC1 ZINC000599169470 479192844 /nfs/dbraw/zinc/19/28/44/479192844.db2.gz BANMRHQCNKTRCY-UHFFFAOYSA-N 0 0 342.399 2.625 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CCO[C@H](CCF)C1 ZINC000599168992 479192863 /nfs/dbraw/zinc/19/28/63/479192863.db2.gz NORGKXFPTUFKQI-SECBINFHSA-N 0 0 333.157 2.922 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599167911 479192983 /nfs/dbraw/zinc/19/29/83/479192983.db2.gz UTUUHMMBQCFPLW-HEWAKGLMSA-N 0 0 331.397 2.633 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1OC(F)F ZINC000599168259 479193085 /nfs/dbraw/zinc/19/30/85/479193085.db2.gz LRJHBSNDKYLYOS-JQLIAFOBSA-N 0 0 346.355 2.686 10 5 EFBERN C/C=C/C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596197501 479193517 /nfs/dbraw/zinc/19/35/17/479193517.db2.gz RBGWIQRTOJCJRB-NWALNABHSA-N 0 0 328.752 2.774 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3CC[C@H]4CC[C@@H](C3)[S@]4=O)ccc2c1 ZINC000599172956 479193755 /nfs/dbraw/zinc/19/37/55/479193755.db2.gz GTOYIKULZPXKLZ-XXAQJILISA-N 0 0 331.397 2.633 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)ccc2c1 ZINC000599172957 479193904 /nfs/dbraw/zinc/19/39/04/479193904.db2.gz GTOYIKULZPXKLZ-XMQCVEROSA-N 0 0 331.397 2.633 10 5 EFBERN C/C=C/CNc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000599171491 479194073 /nfs/dbraw/zinc/19/40/73/479194073.db2.gz ISSWVARUMDMPRL-QPJJXVBHSA-N 0 0 327.406 2.613 10 5 EFBERN O=c1[nH]ccc(N2CCC[C@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000596199048 479194281 /nfs/dbraw/zinc/19/42/81/479194281.db2.gz AUSZOEOEGNAKLF-QGZVFWFLSA-N 0 0 327.340 2.721 10 5 EFBERN Nc1ccc(N2CCC[C@]3(C2)OCc2ccccc23)nc1[N+](=O)[O-] ZINC000596199911 479194583 /nfs/dbraw/zinc/19/45/83/479194583.db2.gz KJPPPDRTSRRNDL-QGZVFWFLSA-N 0 0 326.356 2.598 10 5 EFBERN O=c1[nH]ccc(N2CCC[C@@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000596199047 479194636 /nfs/dbraw/zinc/19/46/36/479194636.db2.gz AUSZOEOEGNAKLF-KRWDZBQOSA-N 0 0 327.340 2.721 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596200712 479194708 /nfs/dbraw/zinc/19/47/08/479194708.db2.gz RSGPROYFQOKNSQ-GFCCVEGCSA-N 0 0 340.763 2.650 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593129935 479194917 /nfs/dbraw/zinc/19/49/17/479194917.db2.gz XMQGAKMRFASGJL-INIZCTEOSA-N 0 0 349.387 2.930 10 5 EFBERN O=C(C1CC1)[C@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596198490 479195019 /nfs/dbraw/zinc/19/50/19/479195019.db2.gz ZTMNRBLEVWOOOS-CYBMUJFWSA-N 0 0 344.289 2.798 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599173735 479195245 /nfs/dbraw/zinc/19/52/45/479195245.db2.gz RAOIMACTEAEWBR-BZNIZROVSA-N 0 0 331.328 2.646 10 5 EFBERN COc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599174429 479195785 /nfs/dbraw/zinc/19/57/85/479195785.db2.gz YWPMQVDWUQFJHL-ZUZCIYMTSA-N 0 0 326.780 2.856 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2C[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000596201192 479196343 /nfs/dbraw/zinc/19/63/43/479196343.db2.gz UBNDLIHHPUPDCO-VHSXEESVSA-N 0 0 328.752 2.606 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599180244 479196738 /nfs/dbraw/zinc/19/67/38/479196738.db2.gz JZTSCUFWUXHJER-GXSJLCMTSA-N 0 0 328.166 2.732 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599180246 479197202 /nfs/dbraw/zinc/19/72/02/479197202.db2.gz JZTSCUFWUXHJER-MWLCHTKSSA-N 0 0 328.166 2.732 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000596204767 479197600 /nfs/dbraw/zinc/19/76/00/479197600.db2.gz XLTTZTSJFCMZCD-JOYOIKCWSA-N 0 0 342.779 2.896 10 5 EFBERN O=C(c1cc(N[C@@H]2CO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599180917 479198004 /nfs/dbraw/zinc/19/80/04/479198004.db2.gz ODSBAVUXYJBFNQ-WMLDXEAASA-N 0 0 345.399 2.810 10 5 EFBERN CCOC(=O)Cc1ccc(N[C@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000599181211 479198135 /nfs/dbraw/zinc/19/81/35/479198135.db2.gz QMASXRFXJCATRE-CZUORRHYSA-N 0 0 334.372 2.680 10 5 EFBERN O=C(c1cc(N[C@H]2CO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599180916 479198341 /nfs/dbraw/zinc/19/83/41/479198341.db2.gz ODSBAVUXYJBFNQ-RHSMWYFYSA-N 0 0 345.399 2.810 10 5 EFBERN O=[N+]([O-])c1cc(N2C[C@@H](O)CC(F)(F)C2)ccc1C(F)(F)F ZINC000596205761 479198194 /nfs/dbraw/zinc/19/81/94/479198194.db2.gz LPVHYSWKAKBCNX-QMMMGPOBSA-N 0 0 326.221 2.820 10 5 EFBERN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000610823658 479198423 /nfs/dbraw/zinc/19/84/23/479198423.db2.gz FBDDDTAPFVAYPT-AWEZNQCLSA-N 0 0 346.339 2.858 10 5 EFBERN CC(C)NC(=O)c1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000599180530 479198579 /nfs/dbraw/zinc/19/85/79/479198579.db2.gz LDYDJMSRXDKHQX-XJKSGUPXSA-N 0 0 333.388 2.712 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H]2CO[C@H](C3CC3)C2)c(Br)c1 ZINC000599180880 479198590 /nfs/dbraw/zinc/19/85/90/479198590.db2.gz NRDUWRVCVWXFRR-KWQFWETISA-N 0 0 328.166 2.732 10 5 EFBERN COc1cc(N2C[C@@H](C)S(=O)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596208664 479199132 /nfs/dbraw/zinc/19/91/32/479199132.db2.gz USVUENLERQKBQC-RKDXNWHRSA-N 0 0 332.809 2.603 10 5 EFBERN CCCN1CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1=O ZINC000596207482 479199274 /nfs/dbraw/zinc/19/92/74/479199274.db2.gz RENSXPXYZWNQAL-UHFFFAOYSA-N 0 0 341.795 2.706 10 5 EFBERN COCc1ccc(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])cc1OC ZINC000599183175 479199800 /nfs/dbraw/zinc/19/98/00/479199800.db2.gz XZHDMUCEERVVSW-UHFFFAOYSA-N 0 0 347.327 2.675 10 5 EFBERN COC(=O)c1c(Cl)c(NCCC2CC(O)C2)ccc1[N+](=O)[O-] ZINC000596209657 479200734 /nfs/dbraw/zinc/20/07/34/479200734.db2.gz VGZDYTNRRIWWKC-UHFFFAOYSA-N 0 0 328.752 2.608 10 5 EFBERN COc1cc(N2CC[C@H](C)[S@@](=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596211196 479202133 /nfs/dbraw/zinc/20/21/33/479202133.db2.gz SGWFPQJHZKRBLE-FPVGNUTFSA-N 0 0 332.809 2.604 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000596210735 479202602 /nfs/dbraw/zinc/20/26/02/479202602.db2.gz NRQDZKXNIYFGRT-UHFFFAOYSA-N 0 0 340.763 2.794 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ccc(F)cc1 ZINC000584678136 479203097 /nfs/dbraw/zinc/20/30/97/479203097.db2.gz FFCKQZPCKZFMOR-UHFFFAOYSA-N 0 0 345.286 2.630 10 5 EFBERN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000596215696 479204508 /nfs/dbraw/zinc/20/45/08/479204508.db2.gz GUZZEPWPNHXGLT-HFAKWTLXSA-N 0 0 341.795 2.806 10 5 EFBERN COc1ccc([C@@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)cc1F ZINC000599193974 479204403 /nfs/dbraw/zinc/20/44/03/479204403.db2.gz HSRHAUGGMSCCNQ-LLVKDONJSA-N 0 0 333.319 2.837 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599198397 479205058 /nfs/dbraw/zinc/20/50/58/479205058.db2.gz KIWFVSKXDGLRPK-IATRGZMQSA-N 0 0 335.404 2.591 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cnc(CC2CC2)nc1 ZINC000593150669 479205035 /nfs/dbraw/zinc/20/50/35/479205035.db2.gz HKGCLZYSRBWGMV-UHFFFAOYSA-N 0 0 330.319 2.658 10 5 EFBERN COC[C@]1(C)CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000599202169 479207486 /nfs/dbraw/zinc/20/74/86/479207486.db2.gz NLUOLPNMKLHDIP-SFHVURJKSA-N 0 0 343.383 2.899 10 5 EFBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1C1CCC1 ZINC000599205310 479207791 /nfs/dbraw/zinc/20/77/91/479207791.db2.gz DPXUMTUECBXEJJ-LLVKDONJSA-N 0 0 341.314 2.762 10 5 EFBERN C[C@]1(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]2C1 ZINC000599210276 479211485 /nfs/dbraw/zinc/21/14/85/479211485.db2.gz TZSBMTRUSREJPF-LAQFHYBYSA-N 0 0 332.404 2.742 10 5 EFBERN CC[C@H]1CCN1C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593162028 479212310 /nfs/dbraw/zinc/21/23/10/479212310.db2.gz GKZLOVYTUDDFBU-HNNXBMFYSA-N 0 0 328.372 2.773 10 5 EFBERN CC(=O)N1CC[C@@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596233842 479214687 /nfs/dbraw/zinc/21/46/87/479214687.db2.gz GDVCJOKHPDMKDR-JTQLQIEISA-N 0 0 342.193 2.638 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@]2(O)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596247843 479222873 /nfs/dbraw/zinc/22/28/73/479222873.db2.gz RHAFOWNWMRBKKE-BJOHPYRUSA-N 0 0 342.779 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(NCCC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000596251028 479223873 /nfs/dbraw/zinc/22/38/73/479223873.db2.gz XWAFYJCHXYGCMV-UHFFFAOYSA-N 0 0 330.768 2.855 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1c2c(nn1C)CCCC2 ZINC000610892852 479225528 /nfs/dbraw/zinc/22/55/28/479225528.db2.gz LCMHDNIWJYBULX-NSHDSACASA-N 0 0 340.383 2.799 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000596251669 479225685 /nfs/dbraw/zinc/22/56/85/479225685.db2.gz VIZOLVSWIHCQCS-MRVPVSSYSA-N 0 0 330.768 2.996 10 5 EFBERN Cn1cnc(CCNc2c(Br)cccc2[N+](=O)[O-])c1 ZINC000596265855 479230889 /nfs/dbraw/zinc/23/08/89/479230889.db2.gz VNRCMYGPDVISIO-UHFFFAOYSA-N 0 0 325.166 2.745 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1C ZINC000610917438 479232865 /nfs/dbraw/zinc/23/28/65/479232865.db2.gz JXAOVXSJURWZDL-UHFFFAOYSA-N 0 0 346.343 2.789 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCOCC(F)F)c1 ZINC000593192578 479233037 /nfs/dbraw/zinc/23/30/37/479233037.db2.gz BTHCFIRYPRZHGF-UHFFFAOYSA-N 0 0 335.328 2.896 10 5 EFBERN COc1cc(N2CC[C@@H](c3nc(C)n[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596274991 479234382 /nfs/dbraw/zinc/23/43/82/479234382.db2.gz ZMEBXLLMNBXJFA-SECBINFHSA-N 0 0 337.767 2.677 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(c2ccccc2C)CCC1 ZINC000593199400 479236175 /nfs/dbraw/zinc/23/61/75/479236175.db2.gz OKPZVUFJNOAGOB-UHFFFAOYSA-N 0 0 342.399 2.994 10 5 EFBERN CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2c(=O)ccn2C)cc1OC ZINC000596285003 479238717 /nfs/dbraw/zinc/23/87/17/479238717.db2.gz FSGZFJBVRWGZTL-LBPRGKRZSA-N 0 0 349.387 2.577 10 5 EFBERN Cn1cnc(CCCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n1 ZINC000596286143 479239340 /nfs/dbraw/zinc/23/93/40/479239340.db2.gz JXOAVFRFEBGKTI-UHFFFAOYSA-N 0 0 329.282 2.787 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cc2n(n1)CCCC2 ZINC000593204029 479239470 /nfs/dbraw/zinc/23/94/70/479239470.db2.gz FFZSKMYNWKABMK-LBPRGKRZSA-N 0 0 349.412 2.804 10 5 EFBERN COc1cc(N2CC[C@H](Nc3ncccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596285950 479239565 /nfs/dbraw/zinc/23/95/65/479239565.db2.gz QEIOXTUCHBHFHY-JTQLQIEISA-N 0 0 349.778 2.738 10 5 EFBERN O=C(N[C@H]1CCCn2nccc21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602212883 479240009 /nfs/dbraw/zinc/24/00/09/479240009.db2.gz JTCXMHXHNVNZNS-ZNMIVQPWSA-N 0 0 326.356 2.546 10 5 EFBERN COc1cc(NCC(C)(C)[C@]2(O)CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596288131 479240872 /nfs/dbraw/zinc/24/08/72/479240872.db2.gz AUGNBKDMLZZCJM-HNNXBMFYSA-N 0 0 344.795 2.846 10 5 EFBERN COC(=O)c1cccc2c1CN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596290328 479241743 /nfs/dbraw/zinc/24/17/43/479241743.db2.gz CMWOXWQUBRAFPA-UHFFFAOYSA-N 0 0 347.758 2.993 10 5 EFBERN COc1cc(NCC[C@@]2(O)CCCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596295900 479242519 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COC1CC(CCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000596309502 479247603 /nfs/dbraw/zinc/24/76/03/479247603.db2.gz SLWIUBUUKOQPBX-UHFFFAOYSA-N 0 0 330.182 2.979 10 5 EFBERN COc1ccc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000610976115 479247786 /nfs/dbraw/zinc/24/77/86/479247786.db2.gz YHVDXWFZUZWYPG-UHFFFAOYSA-N 0 0 340.339 2.752 10 5 EFBERN CCc1ccncc1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593222014 479247895 /nfs/dbraw/zinc/24/78/95/479247895.db2.gz DSHDNAUTRPJTAB-UHFFFAOYSA-N 0 0 345.355 2.716 10 5 EFBERN CC1(C)[C@@H]2CN(C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]21 ZINC000574248798 479247875 /nfs/dbraw/zinc/24/78/75/479247875.db2.gz HCLOTPDGNQGDHM-GASCZTMLSA-N 0 0 342.399 2.916 10 5 EFBERN COC1CC(CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000596307632 479248552 /nfs/dbraw/zinc/24/85/52/479248552.db2.gz CDEQFELXKQORQK-UHFFFAOYSA-N 0 0 349.431 2.654 10 5 EFBERN Cc1noc(COc2cccc(C(=O)N3CCCC3)c2)c1[N+](=O)[O-] ZINC000596315347 479250128 /nfs/dbraw/zinc/25/01/28/479250128.db2.gz GKXXXGNQLGLEHM-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN CS(=O)(=O)CC1(CCNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000596316477 479251813 /nfs/dbraw/zinc/25/18/13/479251813.db2.gz JHOONRZSILUONG-UHFFFAOYSA-N 0 0 332.809 2.875 10 5 EFBERN COC[C@H](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)OC ZINC000596319984 479252776 /nfs/dbraw/zinc/25/27/76/479252776.db2.gz JFDDIFMADYTREE-AWEZNQCLSA-N 0 0 331.372 2.542 10 5 EFBERN COc1cc(NC[C@@H](OC)[C@@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596319100 479252890 /nfs/dbraw/zinc/25/28/90/479252890.db2.gz SYLGZMHJEJTZBZ-YMTOWFKASA-N 0 0 330.768 2.720 10 5 EFBERN COc1cc(NC[C@@H](OC)[C@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596319097 479253032 /nfs/dbraw/zinc/25/30/32/479253032.db2.gz SYLGZMHJEJTZBZ-LKFCYVNXSA-N 0 0 330.768 2.720 10 5 EFBERN COc1cc(NC[C@H](OC)[C@@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596319098 479253071 /nfs/dbraw/zinc/25/30/71/479253071.db2.gz SYLGZMHJEJTZBZ-OTYXRUKQSA-N 0 0 330.768 2.720 10 5 EFBERN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000557082709 479253794 /nfs/dbraw/zinc/25/37/94/479253794.db2.gz ONOMZXLLQFEISE-AWEZNQCLSA-N 0 0 334.351 2.796 10 5 EFBERN COC[C@H](CCNc1ccc([N+](=O)[O-])cc1Br)OC ZINC000596327460 479254692 /nfs/dbraw/zinc/25/46/92/479254692.db2.gz GAXHJJFGPJATRO-JTQLQIEISA-N 0 0 333.182 2.821 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@](C)(C2CC2)C1 ZINC000596335497 479258727 /nfs/dbraw/zinc/25/87/27/479258727.db2.gz OSIYWRRDHXYUGE-KRWDZBQOSA-N 0 0 334.372 2.695 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3ncccc3C2)c1 ZINC000611007561 479260560 /nfs/dbraw/zinc/26/05/60/479260560.db2.gz SBBOWOQMXIOLRS-UHFFFAOYSA-N 0 0 341.367 2.652 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCc2ncccc2C1 ZINC000611007467 479261453 /nfs/dbraw/zinc/26/14/53/479261453.db2.gz LPKXDQLAZWVVJI-UHFFFAOYSA-N 0 0 338.367 2.763 10 5 EFBERN CC[C@H](NC(=O)NCCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602270042 479263584 /nfs/dbraw/zinc/26/35/84/479263584.db2.gz RFZLVMUPQQYBER-ZDUSSCGKSA-N 0 0 344.362 2.542 10 5 EFBERN CC[C@H](NC(=O)N1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000611012435 479263842 /nfs/dbraw/zinc/26/38/42/479263842.db2.gz RGOMYXGIKQTVGL-AWEZNQCLSA-N 0 0 329.360 2.537 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000596357697 479264312 /nfs/dbraw/zinc/26/43/12/479264312.db2.gz QOHITKOBCLOHBQ-JKSUJKDBSA-N 0 0 347.415 2.520 10 5 EFBERN CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCc2ccccc21 ZINC000596360265 479265848 /nfs/dbraw/zinc/26/58/48/479265848.db2.gz LNXBXQUZTBXZAO-UHFFFAOYSA-N 0 0 337.383 2.978 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)CC(=O)N(C)C1CCCCC1 ZINC000596365602 479266805 /nfs/dbraw/zinc/26/68/05/479266805.db2.gz DPWFEAIHWVSLBP-UHFFFAOYSA-N 0 0 335.404 2.831 10 5 EFBERN COc1ccccc1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611032627 479267089 /nfs/dbraw/zinc/26/70/89/479267089.db2.gz JZLNPXUXTRQXOQ-UHFFFAOYSA-N 0 0 336.369 2.570 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367045 479268574 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/nfs/dbraw/zinc/29/63/47/479296347.db2.gz YFGPZIZYUGOBSL-LBPRGKRZSA-N 0 0 338.367 2.934 10 5 EFBERN Cn1ncc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1C(F)F ZINC000611159253 479297029 /nfs/dbraw/zinc/29/70/29/479297029.db2.gz FVBOINOHRJNDQG-UHFFFAOYSA-N 0 0 335.270 3.000 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(C)c1C(F)F ZINC000611159335 479297051 /nfs/dbraw/zinc/29/70/51/479297051.db2.gz AZJHZDIPRYFXLL-UHFFFAOYSA-N 0 0 341.274 2.919 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCO[C@@H]1CC1(F)F ZINC000596445967 479297647 /nfs/dbraw/zinc/29/76/47/479297647.db2.gz BEACZTBETUJCRF-GFCCVEGCSA-N 0 0 330.287 2.526 10 5 EFBERN O=[N+]([O-])c1cnc(NCCO[C@@H]2CC2(F)F)c(Br)c1 ZINC000596448597 479299172 /nfs/dbraw/zinc/29/91/72/479299172.db2.gz VTVSZRHFZNJYKT-MRVPVSSYSA-N 0 0 338.108 2.588 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccno3)co2)cc1 ZINC000611165675 479299534 /nfs/dbraw/zinc/29/95/34/479299534.db2.gz MFRZYCZAVNOGFM-QHCPKHFHSA-N 0 0 333.325 2.687 10 5 EFBERN CC[C@H](NC(=O)N1C[C@H]2COC[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596453150 479300513 /nfs/dbraw/zinc/30/05/13/479300513.db2.gz GXUDRGHENMBIHV-QRTARXTBSA-N 0 0 333.388 2.724 10 5 EFBERN CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000596453682 479301094 /nfs/dbraw/zinc/30/10/94/479301094.db2.gz JUXCXVBZFHBSDX-ZFWWWQNUSA-N 0 0 334.420 2.700 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000596452476 479301128 /nfs/dbraw/zinc/30/11/28/479301128.db2.gz DKMJOYQYOLKLIL-SCLBCKFNSA-N 0 0 347.415 2.911 10 5 EFBERN CC[C@@H](NC(=O)N(C)Cc1nnc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000596453154 479301210 /nfs/dbraw/zinc/30/12/10/479301210.db2.gz GYLYOZHAAOVKRC-CYBMUJFWSA-N 0 0 333.348 2.579 10 5 EFBERN CC[C@@H](NC(=O)NCC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000596456050 479301494 /nfs/dbraw/zinc/30/14/94/479301494.db2.gz ZENNTVNYBWOIAR-VDSRIPIWSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)NCC(O)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000596455979 479301760 /nfs/dbraw/zinc/30/17/60/479301760.db2.gz XWSNMIBICYOLEZ-GFCCVEGCSA-N 0 0 347.415 2.815 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCC(O)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000596455980 479302137 /nfs/dbraw/zinc/30/21/37/479302137.db2.gz XWSNMIBICYOLEZ-LBPRGKRZSA-N 0 0 347.415 2.815 10 5 EFBERN CCOC(=O)c1cc(N2CCC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596460813 479303863 /nfs/dbraw/zinc/30/38/63/479303863.db2.gz BJNNONYQJVIPBT-QGZVFWFLSA-N 0 0 334.372 2.513 10 5 EFBERN Cc1cc(N2C[C@@H](C)C(O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596462871 479304989 /nfs/dbraw/zinc/30/49/89/479304989.db2.gz LUHXHEJUADGFAX-VXGBXAGGSA-N 0 0 342.399 2.813 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CC4(C3)CC(F)(F)C4)o2)cc1 ZINC000611180685 479305098 /nfs/dbraw/zinc/30/50/98/479305098.db2.gz PAWUYPIUAUULMD-UHFFFAOYSA-N 0 0 336.298 2.876 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000596465283 479305708 /nfs/dbraw/zinc/30/57/08/479305708.db2.gz LJVPEFCRYTYMOC-VHSXEESVSA-N 0 0 332.809 2.934 10 5 EFBERN COc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596466572 479306808 /nfs/dbraw/zinc/30/68/08/479306808.db2.gz RVFGAGYNSIIELO-BDAKNGLRSA-N 0 0 348.808 2.634 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@]2(CC2(F)F)C1 ZINC000593353970 479307882 /nfs/dbraw/zinc/30/78/82/479307882.db2.gz MYDWZDFXCWSURM-ZDUSSCGKSA-N 0 0 332.253 2.673 10 5 EFBERN C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000596468061 479308123 /nfs/dbraw/zinc/30/81/23/479308123.db2.gz CYSLZFDODRLALW-IUCAKERBSA-N 0 0 329.194 2.810 10 5 EFBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)C1O ZINC000596468031 479308202 /nfs/dbraw/zinc/30/82/02/479308202.db2.gz FVTABLWEYIHWCA-IUCAKERBSA-N 0 0 327.768 2.729 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593352543 479308368 /nfs/dbraw/zinc/30/83/68/479308368.db2.gz FRKZAHWFACEQMM-ZDUSSCGKSA-N 0 0 328.340 2.945 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000596469983 479308733 /nfs/dbraw/zinc/30/87/33/479308733.db2.gz QNWUAVIKNJJTDW-GHMZBOCLSA-N 0 0 331.372 2.605 10 5 EFBERN Nc1cc(N[C@H]2C[C@H](Oc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000596470350 479309011 /nfs/dbraw/zinc/30/90/11/479309011.db2.gz BZXJGJZMRIVGSD-CTYIDZIISA-N 0 0 329.356 2.691 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593356786 479309100 /nfs/dbraw/zinc/30/91/00/479309100.db2.gz REJUAPNTYPKSMU-CQSZACIVSA-N 0 0 325.315 2.578 10 5 EFBERN Cc1c(Br)c(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000596470643 479309222 /nfs/dbraw/zinc/30/92/22/479309222.db2.gz WPAJZIWSDWWMGP-JDICNCQASA-N 0 0 344.209 2.514 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC2(F)F)C1 ZINC000593357135 479309207 /nfs/dbraw/zinc/30/92/07/479309207.db2.gz YHRCIBGDEFYHPA-ZDUSSCGKSA-N 0 0 328.340 2.945 10 5 EFBERN CNC(=O)c1ccc(N[C@H]2C[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000596471187 479309720 /nfs/dbraw/zinc/30/97/20/479309720.db2.gz LNNAXVGUICRHQR-CTYIDZIISA-N 0 0 341.367 2.976 10 5 EFBERN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593358954 479310361 /nfs/dbraw/zinc/31/03/61/479310361.db2.gz NMZSDZLDSXETMY-HNNXBMFYSA-N 0 0 348.309 2.652 10 5 EFBERN COC(=O)c1cc(NCc2nccc(OC)c2F)cc(C)c1[N+](=O)[O-] ZINC000596477272 479310587 /nfs/dbraw/zinc/31/05/87/479310587.db2.gz IPJMAPWPIVDGJU-UHFFFAOYSA-N 0 0 349.318 2.845 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@]2(CC2(F)F)C1 ZINC000593359887 479310631 /nfs/dbraw/zinc/31/06/31/479310631.db2.gz QONQAVVXAKYIHP-HNNXBMFYSA-N 0 0 335.310 2.807 10 5 EFBERN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593359855 479310729 /nfs/dbraw/zinc/31/07/29/479310729.db2.gz PXPAERGWUNVBAD-OAHLLOKOSA-N 0 0 348.309 2.652 10 5 EFBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593361447 479311020 /nfs/dbraw/zinc/31/10/20/479311020.db2.gz KPYCAYYYTXOSBC-AWEZNQCLSA-N 0 0 336.388 2.716 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596478765 479311531 /nfs/dbraw/zinc/31/15/31/479311531.db2.gz MRNHUNUCTXREEG-LDYMZIIASA-N 0 0 333.266 2.778 10 5 EFBERN O=C(NCC1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596480348 479312460 /nfs/dbraw/zinc/31/24/60/479312460.db2.gz APBQFUCDGAFFSQ-UHFFFAOYSA-N 0 0 327.768 2.921 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nccc(OC)c1F ZINC000596480283 479312573 /nfs/dbraw/zinc/31/25/73/479312573.db2.gz YBMYUMVRQUKMOA-UHFFFAOYSA-N 0 0 349.318 2.845 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2COC[C@@H]2C1 ZINC000596485283 479313386 /nfs/dbraw/zinc/31/33/86/479313386.db2.gz FOLAOZJMFFATTK-UWVGGRQHSA-N 0 0 325.752 2.748 10 5 EFBERN Cn1cc(C[C@H]2CCC[C@@H]2Nc2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000596486138 479313703 /nfs/dbraw/zinc/31/37/03/479313703.db2.gz DXAZDZKANHRCEM-NEPJUHHUSA-N 0 0 346.416 2.861 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(Cc3ccc(C)cc3)C2)n1 ZINC000596486362 479314216 /nfs/dbraw/zinc/31/42/16/479314216.db2.gz WCQYXMWPDNSXNX-UHFFFAOYSA-N 0 0 341.367 2.764 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000596489413 479315399 /nfs/dbraw/zinc/31/53/99/479315399.db2.gz TUCCQOQIZMXKIT-ZIAGYGMSSA-N 0 0 332.408 2.676 10 5 EFBERN COC(=O)C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000596491176 479315732 /nfs/dbraw/zinc/31/57/32/479315732.db2.gz ITLBHKGELSKGBZ-ZDUSSCGKSA-N 0 0 329.356 2.566 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C12CCC2 ZINC000596495863 479317103 /nfs/dbraw/zinc/31/71/03/479317103.db2.gz XKZNVEPLXXAWTM-QWHCGFSZSA-N 0 0 348.403 2.627 10 5 EFBERN CSc1cc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccn1 ZINC000611231182 479317248 /nfs/dbraw/zinc/31/72/48/479317248.db2.gz AVKSLDMWSQRJLU-UHFFFAOYSA-N 0 0 335.389 2.554 10 5 EFBERN COC(=O)C[C@H](CNc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000596494349 479317373 /nfs/dbraw/zinc/31/73/73/479317373.db2.gz XUWDPZGRNNENEV-SNVBAGLBSA-N 0 0 326.324 2.744 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000596500678 479318574 /nfs/dbraw/zinc/31/85/74/479318574.db2.gz DXAVAJFYWIOZCM-OTYXRUKQSA-N 0 0 329.303 2.871 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000596501464 479318666 /nfs/dbraw/zinc/31/86/66/479318666.db2.gz FMOZRJMPDVSCJV-GHMZBOCLSA-N 0 0 340.763 2.750 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc2c(c1)CCCO2 ZINC000596500711 479318838 /nfs/dbraw/zinc/31/88/38/479318838.db2.gz FFKQPURHSMRBTR-LLVKDONJSA-N 0 0 329.356 2.749 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596502359 479319596 /nfs/dbraw/zinc/31/95/96/479319596.db2.gz NDAVWQNFCVYEMH-RDDDGLTNSA-N 0 0 330.266 2.627 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCCO[C@@H](c4ccccc4)C3)nn21 ZINC000611240732 479320572 /nfs/dbraw/zinc/32/05/72/479320572.db2.gz CGBNMECAOJLZPA-CQSZACIVSA-N 0 0 339.355 2.606 10 5 EFBERN CCn1nc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1=O ZINC000585753374 479321256 /nfs/dbraw/zinc/32/12/56/479321256.db2.gz YJBBYEROBMEUGT-UHFFFAOYSA-N 0 0 344.371 2.721 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000585753373 479321308 /nfs/dbraw/zinc/32/13/08/479321308.db2.gz YEKQVXDEGBCMIZ-NSHDSACASA-N 0 0 345.399 2.842 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C12CCC2 ZINC000596510188 479322714 /nfs/dbraw/zinc/32/27/14/479322714.db2.gz ORWXDSDMFBCHNH-RYUDHWBXSA-N 0 0 348.403 2.627 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C12CCC2 ZINC000596510186 479322769 /nfs/dbraw/zinc/32/27/69/479322769.db2.gz ORWXDSDMFBCHNH-NEPJUHHUSA-N 0 0 348.403 2.627 10 5 EFBERN CSc1cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000611246706 479322836 /nfs/dbraw/zinc/32/28/36/479322836.db2.gz BNSMBFIXYUYWCP-UHFFFAOYSA-N 0 0 347.400 2.945 10 5 EFBERN CCOC(=O)Cc1ccc(NCC2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000596513262 479323122 /nfs/dbraw/zinc/32/31/22/479323122.db2.gz SJTVWXHZOCAQJE-UHFFFAOYSA-N 0 0 336.388 2.663 10 5 EFBERN CC1(C)[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1(F)F ZINC000596512218 479323383 /nfs/dbraw/zinc/32/33/83/479323383.db2.gz AHPFEPWAZRRRRV-SSDOTTSWSA-N 0 0 340.373 2.763 10 5 EFBERN C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000596514341 479324270 /nfs/dbraw/zinc/32/42/70/479324270.db2.gz JLXVNZVSZMQTJE-KPPDAEKUSA-N 0 0 345.396 2.571 10 5 EFBERN Cc1c(Br)c(N[C@@H]2C[C@H](O)C23CCC3)ncc1[N+](=O)[O-] ZINC000596515503 479324327 /nfs/dbraw/zinc/32/43/27/479324327.db2.gz YVQQIDJCUOKKHD-ZJUUUORDSA-N 0 0 342.193 2.776 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000596514881 479324613 /nfs/dbraw/zinc/32/46/13/479324613.db2.gz NZHLFEWWJJQUGS-IAGOWNOFSA-N 0 0 347.415 2.659 10 5 EFBERN COc1cc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)ccc1[N+](=O)[O-] ZINC000596515125 479324736 /nfs/dbraw/zinc/32/47/36/479324736.db2.gz SSRIGNGDKFPGNA-IAGOWNOFSA-N 0 0 347.415 2.659 10 5 EFBERN CC(C)[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC000596516888 479325037 /nfs/dbraw/zinc/32/50/37/479325037.db2.gz IWRXVHXRKLMCIU-IRXDYDNUSA-N 0 0 343.383 2.864 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596517485 479325290 /nfs/dbraw/zinc/32/52/90/479325290.db2.gz KPKFTEQTAPKJPM-DYVFJYSZSA-N 0 0 343.383 2.559 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CCO[C@@H]2c2cccnc2)n1 ZINC000585783606 479325403 /nfs/dbraw/zinc/32/54/03/479325403.db2.gz KDNKVVUFHUKBQI-GOEBONIOSA-N 0 0 328.372 2.968 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000611256246 479326100 /nfs/dbraw/zinc/32/61/00/479326100.db2.gz WEPAOMBWAASQGP-UHFFFAOYSA-N 0 0 341.367 2.775 10 5 EFBERN COc1cc(N2CCC[C@H](c3ccncn3)C2)c(F)cc1[N+](=O)[O-] ZINC000611255773 479326259 /nfs/dbraw/zinc/32/62/59/479326259.db2.gz RRVYGKGHAHDQTO-NSHDSACASA-N 0 0 332.335 2.917 10 5 EFBERN CNC(=O)c1ccc(N2CCC(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000611256599 479326353 /nfs/dbraw/zinc/32/63/53/479326353.db2.gz ITQBDRGUQOKJFE-UHFFFAOYSA-N 0 0 340.383 2.733 10 5 EFBERN CC(C)[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CC1 ZINC000596518752 479326576 /nfs/dbraw/zinc/32/65/76/479326576.db2.gz DHQADIGGMHCPPW-KRWDZBQOSA-N 0 0 347.415 2.914 10 5 EFBERN CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000599548178 479327372 /nfs/dbraw/zinc/32/73/72/479327372.db2.gz JQKRBSYZWWTVAZ-INIZCTEOSA-N 0 0 330.340 2.850 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2COC[C@@H]2C1 ZINC000596526473 479328172 /nfs/dbraw/zinc/32/81/72/479328172.db2.gz DZKDNEUKOVOHKS-UWVGGRQHSA-N 0 0 327.178 2.830 10 5 EFBERN Cc1nccc([C@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000611262801 479328861 /nfs/dbraw/zinc/32/88/61/479328861.db2.gz ASTSXOHTDMYYLA-ZDUSSCGKSA-N 0 0 328.372 2.778 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2COC[C@H]2C1 ZINC000596527308 479329004 /nfs/dbraw/zinc/32/90/04/479329004.db2.gz INVNLSBFEINKFG-NXEZZACHSA-N 0 0 327.178 2.830 10 5 EFBERN O=c1[nH]c(N2CCC(c3ccon3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000596528478 479329277 /nfs/dbraw/zinc/32/92/77/479329277.db2.gz JMEMKMMYYDVPCU-UHFFFAOYSA-N 0 0 341.327 2.616 10 5 EFBERN CC(C)(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@]1(O)CCCOC1 ZINC000596533716 479331112 /nfs/dbraw/zinc/33/11/12/479331112.db2.gz KKTUKCBBVBZYQL-SFHVURJKSA-N 0 0 349.431 2.848 10 5 EFBERN O=[N+]([O-])c1c(NCC2(O)CCC(F)(F)CC2)nc2sccn21 ZINC000596533452 479331321 /nfs/dbraw/zinc/33/13/21/479331321.db2.gz AUUPYRACPGWVPL-UHFFFAOYSA-N 0 0 332.332 2.656 10 5 EFBERN COc1cc(N2CCOc3ccc(O)cc3C2)c([N+](=O)[O-])cc1F ZINC000596535621 479332450 /nfs/dbraw/zinc/33/24/50/479332450.db2.gz VHVMZXXTQDALMC-UHFFFAOYSA-N 0 0 334.303 2.847 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596536180 479332491 /nfs/dbraw/zinc/33/24/91/479332491.db2.gz NBMUTIWSYCGTEO-CYBMUJFWSA-N 0 0 342.399 2.884 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000596536153 479332526 /nfs/dbraw/zinc/33/25/26/479332526.db2.gz MKXMBTYNKGLPRL-CYBMUJFWSA-N 0 0 333.388 2.538 10 5 EFBERN O=[N+]([O-])c1cccc(OCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000593420894 479332898 /nfs/dbraw/zinc/33/28/98/479332898.db2.gz JDCJDFYOWJQKAY-UHFFFAOYSA-N 0 0 348.380 2.615 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596537258 479333105 /nfs/dbraw/zinc/33/31/05/479333105.db2.gz FEDDAHLDBBUKPN-AWEZNQCLSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000596536825 479333418 /nfs/dbraw/zinc/33/34/18/479333418.db2.gz XSWOULDYNFLBJT-NSHDSACASA-N 0 0 325.796 2.989 10 5 EFBERN COC(=O)C[C@H](C)SCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593423863 479334132 /nfs/dbraw/zinc/33/41/32/479334132.db2.gz MSVHLKSDNPAEQA-VIFPVBQESA-N 0 0 327.358 2.566 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596542788 479334301 /nfs/dbraw/zinc/33/43/01/479334301.db2.gz IKFXKVMBFFVLJF-CQSZACIVSA-N 0 0 325.368 2.860 10 5 EFBERN CN(C[C@@H]1CCc2ccccc21)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596542752 479334415 /nfs/dbraw/zinc/33/44/15/479334415.db2.gz HPDCQHSDTJYHDE-ZDUSSCGKSA-N 0 0 325.368 2.860 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)n1 ZINC000596541167 479334602 /nfs/dbraw/zinc/33/46/02/479334602.db2.gz YKQLCFVYMUYVJJ-NILFDRSVSA-N 0 0 343.314 2.666 10 5 EFBERN COC(=O)c1cnc(N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c([N+](=O)[O-])c1 ZINC000596540950 479334702 /nfs/dbraw/zinc/33/47/02/479334702.db2.gz VRDDNSYDLBBRQB-NWANDNLSSA-N 0 0 343.314 2.666 10 5 EFBERN C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000585808136 479334795 /nfs/dbraw/zinc/33/47/95/479334795.db2.gz DMMXEHQPJYMMLE-ZETCQYMHSA-N 0 0 346.181 2.638 10 5 EFBERN CC1(C)OCC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000596545320 479335284 /nfs/dbraw/zinc/33/52/84/479335284.db2.gz RPKFTMYIIQJAHP-OAHLLOKOSA-N 0 0 349.431 2.654 10 5 EFBERN CCOC(=O)C12CC(C1)CN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596544442 479335314 /nfs/dbraw/zinc/33/53/14/479335314.db2.gz OLVULIPSFRCCDR-UHFFFAOYSA-N 0 0 327.340 2.675 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1Cn1c(=O)oc2cc(C(C)=O)ccc21 ZINC000585814499 479335465 /nfs/dbraw/zinc/33/54/65/479335465.db2.gz ZYOMAJHHGMSRHQ-UHFFFAOYSA-N 0 0 342.307 2.762 10 5 EFBERN CC(=O)c1ccc2c(c1)oc(=O)n2CCOc1ccccc1[N+](=O)[O-] ZINC000585814372 479335567 /nfs/dbraw/zinc/33/55/67/479335567.db2.gz FPNGZJDEDPUJCW-UHFFFAOYSA-N 0 0 342.307 2.784 10 5 EFBERN CCOC(=O)C12CC(C1)CN2c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596545074 479335788 /nfs/dbraw/zinc/33/57/88/479335788.db2.gz SSYQQVKPXWVWPW-UHFFFAOYSA-N 0 0 342.298 2.728 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000596555626 479337050 /nfs/dbraw/zinc/33/70/50/479337050.db2.gz RNIAVKQICDORMZ-SCZZXKLOSA-N 0 0 336.314 2.666 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596556351 479338044 /nfs/dbraw/zinc/33/80/44/479338044.db2.gz BFFVWAGOJSIPCQ-ZETCQYMHSA-N 0 0 325.674 2.801 10 5 EFBERN CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1 ZINC000596562088 479340312 /nfs/dbraw/zinc/34/03/12/479340312.db2.gz STNAVUXSJXUBDK-UHFFFAOYSA-N 0 0 349.387 2.618 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3C[C@]45COC[C@@]4(C3)CCCC5)c2c1 ZINC000596566319 479341131 /nfs/dbraw/zinc/34/11/31/479341131.db2.gz IQLMNHVFCQLFBR-HDICACEKSA-N 0 0 340.383 2.935 10 5 EFBERN COC(=O)c1cnc([C@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)s1 ZINC000596566484 479341591 /nfs/dbraw/zinc/34/15/91/479341591.db2.gz HCLVZHKENNFIBS-JTQLQIEISA-N 0 0 348.384 2.617 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](c2ccccc2)[C@@H](C)O)c1[N+](=O)[O-] ZINC000596563927 479341964 /nfs/dbraw/zinc/34/19/64/479341964.db2.gz AACBNXPWWLLMNU-RISCZKNCSA-N 0 0 345.355 2.619 10 5 EFBERN CC(C)Oc1nc(N[C@H](c2ccccc2)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000596567120 479342640 /nfs/dbraw/zinc/34/26/40/479342640.db2.gz OZTOHTPPCXRKSW-WBMJQRKESA-N 0 0 331.372 2.733 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](c2ccccc2)[C@@H](C)O)c1[N+](=O)[O-] ZINC000596566774 479342751 /nfs/dbraw/zinc/34/27/51/479342751.db2.gz MHEZYNXMBBWUFO-RISCZKNCSA-N 0 0 345.355 2.701 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593449991 479346208 /nfs/dbraw/zinc/34/62/08/479346208.db2.gz IOOUCDPLPGCCFD-KRWDZBQOSA-N 0 0 347.415 2.941 10 5 EFBERN O=C(CN1CCC[C@H]1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599597060 479346265 /nfs/dbraw/zinc/34/62/65/479346265.db2.gz VFMLHEHTCCMMTO-ZDUSSCGKSA-N 0 0 343.305 2.511 10 5 EFBERN O=[N+]([O-])c1cc(F)c(CN2CCOC[C@H]2C(F)(F)F)c(F)c1 ZINC000586768418 479348104 /nfs/dbraw/zinc/34/81/04/479348104.db2.gz QCCCXIOIWXXLCI-NSHDSACASA-N 0 0 326.221 2.636 10 5 EFBERN CCCNC(=O)[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593458855 479350161 /nfs/dbraw/zinc/35/01/61/479350161.db2.gz UNDWLXUOZUXUJZ-CYBMUJFWSA-N 0 0 342.399 2.886 10 5 EFBERN Cc1ccc(C)c2sc(NC(=O)c3nn(C)cc3[N+](=O)[O-])nc21 ZINC000611334971 479350837 /nfs/dbraw/zinc/35/08/37/479350837.db2.gz YAQZSECDRYKPHQ-UHFFFAOYSA-N 0 0 331.357 2.807 10 5 EFBERN NC(=O)CC[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593461461 479351257 /nfs/dbraw/zinc/35/12/57/479351257.db2.gz LSTDCKXOEJRNFG-GFCCVEGCSA-N 0 0 328.372 2.625 10 5 EFBERN CO[C@@H](c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)C1CCCCC1 ZINC000596592467 479351610 /nfs/dbraw/zinc/35/16/10/479351610.db2.gz GJUBTSKKHZEGFW-GFCCVEGCSA-N 0 0 335.364 2.955 10 5 EFBERN CC1(C)COCCN1CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593462166 479351892 /nfs/dbraw/zinc/35/18/92/479351892.db2.gz SLPZKQVQRJWPPG-UHFFFAOYSA-N 0 0 330.388 2.666 10 5 EFBERN Cn1ncc2c1CC(C)(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000596599395 479353084 /nfs/dbraw/zinc/35/30/84/479353084.db2.gz SFEQDRUWEVMCGF-UHFFFAOYSA-N 0 0 344.415 2.792 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000593464517 479353157 /nfs/dbraw/zinc/35/31/57/479353157.db2.gz KVBAEAWREYNITP-IAGOWNOFSA-N 0 0 329.356 2.527 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCOC2(CCOCC2)CC1 ZINC000574818646 479353306 /nfs/dbraw/zinc/35/33/06/479353306.db2.gz YKHBQBLYZLATSV-UHFFFAOYSA-N 0 0 343.383 2.919 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598778 479353925 /nfs/dbraw/zinc/35/39/25/479353925.db2.gz PKGWIRMZAFSLAW-UHFFFAOYSA-N 0 0 344.415 2.921 10 5 EFBERN CC(C)(C)N1C[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593466555 479354090 /nfs/dbraw/zinc/35/40/90/479354090.db2.gz YBBQVDIVYQMVLG-LLVKDONJSA-N 0 0 328.372 2.954 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598437 479354224 /nfs/dbraw/zinc/35/42/24/479354224.db2.gz GBZGLXDKGMFHQV-UHFFFAOYSA-N 0 0 344.415 2.921 10 5 EFBERN CC[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)S1(=O)=O ZINC000593473547 479357599 /nfs/dbraw/zinc/35/75/99/479357599.db2.gz SBWCFJFBZYKEIJ-WCQYABFASA-N 0 0 349.412 2.545 10 5 EFBERN C[C@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C1(S(C)(=O)=O)CC1 ZINC000593474293 479357732 /nfs/dbraw/zinc/35/77/32/479357732.db2.gz BMLQKUGLVLXRLU-JTQLQIEISA-N 0 0 335.385 2.521 10 5 EFBERN CC(C)(C)[C@H](O)C[C@H](CO)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593476319 479359014 /nfs/dbraw/zinc/35/90/14/479359014.db2.gz YBEBFPCUBLPXOS-BDJLRTHQSA-N 0 0 333.388 2.713 10 5 EFBERN CCCN1C[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593479939 479359274 /nfs/dbraw/zinc/35/92/74/479359274.db2.gz PXBYIRSMVUREQU-LBPRGKRZSA-N 0 0 328.372 2.813 10 5 EFBERN O=[N+]([O-])c1cnn(Cc2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)c1 ZINC000596617056 479359640 /nfs/dbraw/zinc/35/96/40/479359640.db2.gz AAIPYOAPTVWFOP-JSGCOSHPSA-N 0 0 325.328 2.569 10 5 EFBERN COC(=O)[C@@]1(C)CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593479994 479359849 /nfs/dbraw/zinc/35/98/49/479359849.db2.gz RTWKRTVYEDVTAX-KRWDZBQOSA-N 0 0 329.356 2.923 10 5 EFBERN CC(C)(C)N1CC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1=O ZINC000593477807 479359923 /nfs/dbraw/zinc/35/99/23/479359923.db2.gz HNFHADCCWWLUCS-CQSZACIVSA-N 0 0 328.372 2.954 10 5 EFBERN COc1ccc(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)nc1 ZINC000593481813 479360623 /nfs/dbraw/zinc/36/06/23/479360623.db2.gz SBCFOTZHKWAVOF-UHFFFAOYSA-N 0 0 332.335 2.917 10 5 EFBERN O=C1[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]2CCCCN12 ZINC000593482429 479361253 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NC(=O)c1ccc(N2CCC3(CC2)C(F)(F)C3(F)F)c([N+](=O)[O-])c1 ZINC000593488557 479363356 /nfs/dbraw/zinc/36/33/56/479363356.db2.gz JNLLXNNHJDAVIW-UHFFFAOYSA-N 0 0 347.268 2.565 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H](CCF)C3)co2)cc1 ZINC000599640374 479364174 /nfs/dbraw/zinc/36/41/74/479364174.db2.gz CTCQYYXKBBBIRP-HNNXBMFYSA-N 0 0 335.335 2.810 10 5 EFBERN CCc1nc(CN[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000599642803 479365108 /nfs/dbraw/zinc/36/51/08/479365108.db2.gz KHRPNLAXBLAGSE-INIZCTEOSA-N 0 0 349.412 2.792 10 5 EFBERN Cc1c(NC(=O)N2CCO[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000596634649 479365461 /nfs/dbraw/zinc/36/54/61/479365461.db2.gz ARXXDFZKESVXLL-AWEZNQCLSA-N 0 0 329.303 2.791 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C1CC1)C1CCOCC1 ZINC000593492994 479365745 /nfs/dbraw/zinc/36/57/45/479365745.db2.gz TUKOPFBZPGYFQF-INIZCTEOSA-N 0 0 333.388 2.572 10 5 EFBERN COC(=O)[C@@](C)(NCc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000599644885 479366179 /nfs/dbraw/zinc/36/61/79/479366179.db2.gz XOYQDWYRQYLGBL-HNNXBMFYSA-N 0 0 335.385 2.538 10 5 EFBERN C[C@H](NC(=O)NCC1(CO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000611397807 479367801 /nfs/dbraw/zinc/36/78/01/479367801.db2.gz MXWNPNPRTWDCFA-ZDUSSCGKSA-N 0 0 335.404 2.898 10 5 EFBERN C[C@@H]1C[C@@H]1c1noc(CC2CCN(c3ccncc3[N+](=O)[O-])CC2)n1 ZINC000593500527 479368324 /nfs/dbraw/zinc/36/83/24/479368324.db2.gz CODGFIBZEWLXOG-YPMHNXCESA-N 0 0 343.387 2.955 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC(Cn2cnnc2)CC1 ZINC000593502561 479368428 /nfs/dbraw/zinc/36/84/28/479368428.db2.gz PAWJKSHAEZPTHU-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCc2ccccc21 ZINC000593503302 479368640 /nfs/dbraw/zinc/36/86/40/479368640.db2.gz GVERIUFYUBIOCX-LBPRGKRZSA-N 0 0 327.384 2.836 10 5 EFBERN C[C@@H](NC(=O)c1ccc2[nH]c(=O)oc2c1)c1ccccc1[N+](=O)[O-] ZINC000611401622 479369230 /nfs/dbraw/zinc/36/92/30/479369230.db2.gz WUNXSKAFRAAVQH-SECBINFHSA-N 0 0 327.296 2.933 10 5 EFBERN C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593505146 479369567 /nfs/dbraw/zinc/36/95/67/479369567.db2.gz UEQLJDSZJWBJEK-LBPRGKRZSA-N 0 0 325.368 2.860 10 5 EFBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1nc2ccccc2[nH]1 ZINC000587088735 479370116 /nfs/dbraw/zinc/37/01/16/479370116.db2.gz UHTKXOBWMBKALZ-VIFPVBQESA-N 0 0 327.344 2.719 10 5 EFBERN CCN(CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1C ZINC000587240153 479370688 /nfs/dbraw/zinc/37/06/88/479370688.db2.gz WWMTYZGVOVZNDP-UHFFFAOYSA-N 0 0 344.415 2.916 10 5 EFBERN Cc1sc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000587416099 479371667 /nfs/dbraw/zinc/37/16/67/479371667.db2.gz NHLJLYYWGKKTII-QUBYGPBYSA-N 0 0 338.307 2.757 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1NCCC1(CO)CCC1 ZINC000593512030 479371661 /nfs/dbraw/zinc/37/16/61/479371661.db2.gz RCBLCMLJAVIXOB-UHFFFAOYSA-N 0 0 330.182 2.717 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000587416208 479371762 /nfs/dbraw/zinc/37/17/62/479371762.db2.gz SIUITTLGTXMFOW-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN C[C@H](C(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000587416351 479371926 /nfs/dbraw/zinc/37/19/26/479371926.db2.gz YNKYTDWZTMGTFR-OUJBWJOFSA-N 0 0 346.305 2.877 10 5 EFBERN Nc1cc(N2CCC(OC3CCCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587607537 479372528 /nfs/dbraw/zinc/37/25/28/479372528.db2.gz HTJMYHZHSCFGBG-UHFFFAOYSA-N 0 0 349.431 2.987 10 5 EFBERN CCc1noc(C)c1CN[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599654882 479373203 /nfs/dbraw/zinc/37/32/03/479373203.db2.gz UBPBSQDMQDTXGN-QGZVFWFLSA-N 0 0 347.371 2.632 10 5 EFBERN CCc1ccc(CN[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)nc1 ZINC000599656977 479373761 /nfs/dbraw/zinc/37/37/61/479373761.db2.gz ZUYBHYFSTSOZJR-GOSISDBHSA-N 0 0 343.383 2.730 10 5 EFBERN O=C([O-])[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000596656436 479375382 /nfs/dbraw/zinc/37/53/82/479375382.db2.gz CDVRAINKFKUZPZ-LBPRGKRZSA-N 0 0 344.314 2.787 10 5 EFBERN C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593518983 479375374 /nfs/dbraw/zinc/37/53/74/479375374.db2.gz XFRWXEIGEJEIRR-NSHDSACASA-N 0 0 343.358 2.999 10 5 EFBERN COc1cccc2c1OCC[C@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587771215 479375618 /nfs/dbraw/zinc/37/56/18/479375618.db2.gz IZCIMTQSBUNPPM-CQSZACIVSA-N 0 0 345.355 2.614 10 5 EFBERN CC(C)c1nc(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cs1 ZINC000587788710 479375723 /nfs/dbraw/zinc/37/57/23/479375723.db2.gz QWTPVFSYGGMQAH-UHFFFAOYSA-N 0 0 336.417 2.904 10 5 EFBERN O=[N+]([O-])c1cncc(Br)c1N1CC[C@]2(CC2(F)F)C1 ZINC000593521106 479376027 /nfs/dbraw/zinc/37/60/27/479376027.db2.gz KEMWDPRZHULGHG-JTQLQIEISA-N 0 0 334.120 2.988 10 5 EFBERN CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524830 479376796 /nfs/dbraw/zinc/37/67/96/479376796.db2.gz BFOOBQAVEOQLLR-HNNXBMFYSA-N 0 0 347.396 2.688 10 5 EFBERN C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596662246 479377715 /nfs/dbraw/zinc/37/77/15/479377715.db2.gz HUIJTUMYQQJAKM-ZDUSSCGKSA-N 0 0 328.372 2.935 10 5 EFBERN CC(=O)c1cc(N2CCC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000587975750 479378368 /nfs/dbraw/zinc/37/83/68/479378368.db2.gz VVZXXIFNIORJHT-AWEZNQCLSA-N 0 0 345.399 2.636 10 5 EFBERN C[C@H]1CO[C@H](c2ccccc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587992503 479379673 /nfs/dbraw/zinc/37/96/73/479379673.db2.gz SBNLEOLMLWCOKF-SJCJKPOMSA-N 0 0 343.383 2.636 10 5 EFBERN COc1ccc2c(c1)OCC[C@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587985508 479379910 /nfs/dbraw/zinc/37/99/10/479379910.db2.gz LVMFSMNXNDDHLA-OAHLLOKOSA-N 0 0 345.355 2.614 10 5 EFBERN Cc1ccccc1O[C@H](C)CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587986888 479379967 /nfs/dbraw/zinc/37/99/67/479379967.db2.gz UMMJZOWOLQQIJN-GFCCVEGCSA-N 0 0 331.372 2.857 10 5 EFBERN COc1ccccc1O[C@H](C)CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587987117 479380029 /nfs/dbraw/zinc/38/00/29/479380029.db2.gz KQMYEECKQPZKBX-LLVKDONJSA-N 0 0 347.371 2.557 10 5 EFBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1cccc(F)c1 ZINC000587986892 479380253 /nfs/dbraw/zinc/38/02/53/479380253.db2.gz VKWCASCKWONYMF-JTQLQIEISA-N 0 0 335.335 2.688 10 5 EFBERN CC(C)CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593538220 479380858 /nfs/dbraw/zinc/38/08/58/479380858.db2.gz NPDOICRVUZDLGF-UHFFFAOYSA-N 0 0 341.433 2.969 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CCCCC3)CC2)nc1 ZINC000593540084 479382605 /nfs/dbraw/zinc/38/26/05/479382605.db2.gz JKNFDXVWNXYAOY-UHFFFAOYSA-N 0 0 339.417 2.725 10 5 EFBERN CC(C)(CCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593541443 479382674 /nfs/dbraw/zinc/38/26/74/479382674.db2.gz PGZRRAGOZPUJKA-UHFFFAOYSA-N 0 0 349.412 2.680 10 5 EFBERN Nc1cc(NCCC2Cc3ccccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000588006897 479382738 /nfs/dbraw/zinc/38/27/38/479382738.db2.gz CWBWTLHPHZEWKH-UHFFFAOYSA-N 0 0 327.384 2.886 10 5 EFBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000593542653 479383499 /nfs/dbraw/zinc/38/34/99/479383499.db2.gz JXYRLOSWFUCXBX-GFCCVEGCSA-N 0 0 349.412 2.634 10 5 EFBERN CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588012665 479384290 /nfs/dbraw/zinc/38/42/90/479384290.db2.gz XICWAGMTYNVRST-BTDLBPIBSA-N 0 0 349.362 2.997 10 5 EFBERN Cc1cccc([C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)c1 ZINC000588016436 479385020 /nfs/dbraw/zinc/38/50/20/479385020.db2.gz WXLRQQUMQIMHGT-AWEZNQCLSA-N 0 0 327.384 2.972 10 5 EFBERN C[C@@H]1C[C@H](CO)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599675694 479385781 /nfs/dbraw/zinc/38/57/81/479385781.db2.gz XZPKOEHHYPEGDK-GHMZBOCLSA-N 0 0 343.221 2.950 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N1CC2(C1)CC(F)(F)C2 ZINC000588040909 479386695 /nfs/dbraw/zinc/38/66/95/479386695.db2.gz WZZJHOBMAQWZSM-UHFFFAOYSA-N 0 0 334.120 2.988 10 5 EFBERN C[C@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593558165 479387821 /nfs/dbraw/zinc/38/78/21/479387821.db2.gz FLEMOISWGNJSRO-WFASDCNBSA-N 0 0 347.396 2.557 10 5 EFBERN CC(C)CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562846 479388235 /nfs/dbraw/zinc/38/82/35/479388235.db2.gz OWPKEVROTLYZRN-CYBMUJFWSA-N 0 0 341.433 2.969 10 5 EFBERN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](CCc1ccccc1)C(F)F ZINC000599681064 479388960 /nfs/dbraw/zinc/38/89/60/479388960.db2.gz BTIPIBSJYMZLTQ-AWEZNQCLSA-N 0 0 338.358 2.990 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000588068534 479389516 /nfs/dbraw/zinc/38/95/16/479389516.db2.gz SWBIJYALAMPQTC-IMTBSYHQSA-N 0 0 325.674 2.799 10 5 EFBERN CCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000593563938 479389652 /nfs/dbraw/zinc/38/96/52/479389652.db2.gz UYHGJQJUGXSUPO-ZDUSSCGKSA-N 0 0 327.406 2.627 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000588068524 479389677 /nfs/dbraw/zinc/38/96/77/479389677.db2.gz RSBZNSVKZJLOIK-MUWHJKNJSA-N 0 0 325.674 2.799 10 5 EFBERN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(c2ccccc2)CCC1 ZINC000611484738 479391053 /nfs/dbraw/zinc/39/10/53/479391053.db2.gz ADGAHACLBHZHQZ-UHFFFAOYSA-N 0 0 337.379 2.996 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(C3CCC3)cc2)nc1 ZINC000593585985 479394428 /nfs/dbraw/zinc/39/44/28/479394428.db2.gz QTHKUODHYDDIDH-UHFFFAOYSA-N 0 0 347.396 2.736 10 5 EFBERN COC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2F)c2c1CCCC2 ZINC000611496084 479395132 /nfs/dbraw/zinc/39/51/32/479395132.db2.gz JTRXQGGKUDQPMB-UHFFFAOYSA-N 0 0 333.319 2.644 10 5 EFBERN COC[C@]1(C)CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000599696799 479395921 /nfs/dbraw/zinc/39/59/21/479395921.db2.gz NVUFHYOMWCCFMG-AWEZNQCLSA-N 0 0 348.321 2.851 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@@H](F)C2)cc1C ZINC000611497248 479396598 /nfs/dbraw/zinc/39/65/98/479396598.db2.gz ZVRFFSSGCHTCBB-CABZTGNLSA-N 0 0 330.381 2.580 10 5 EFBERN C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1F ZINC000611502631 479397525 /nfs/dbraw/zinc/39/75/25/479397525.db2.gz WMDGGFCSDVWPSO-MWLCHTKSSA-N 0 0 329.759 2.867 10 5 EFBERN C[C@@H]1C[C@H](C(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593595617 479397938 /nfs/dbraw/zinc/39/79/38/479397938.db2.gz IIXAEXVVRUMNMO-VXGBXAGGSA-N 0 0 341.433 2.825 10 5 EFBERN CCOc1cc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611505216 479398432 /nfs/dbraw/zinc/39/84/32/479398432.db2.gz ALNXINVOCGYYTR-PWSUYJOCSA-N 0 0 340.351 2.822 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCCC2(F)F)c1 ZINC000588144834 479398651 /nfs/dbraw/zinc/39/86/51/479398651.db2.gz WASFRUIDTKOENP-LBPRGKRZSA-N 0 0 334.344 2.678 10 5 EFBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 ZINC000593602775 479398954 /nfs/dbraw/zinc/39/89/54/479398954.db2.gz GLFQAOIYOMEGMK-LLVKDONJSA-N 0 0 347.396 2.907 10 5 EFBERN C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1F ZINC000611506439 479399723 /nfs/dbraw/zinc/39/97/23/479399723.db2.gz MFIOETILOQJDGX-NHYWBVRUSA-N 0 0 332.335 2.601 10 5 EFBERN CSc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccn1 ZINC000611516925 479403083 /nfs/dbraw/zinc/40/30/83/479403083.db2.gz IYVBJUVCOHGXPF-UHFFFAOYSA-N 0 0 333.325 2.693 10 5 EFBERN Cc1ccc(C2(NS(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCC2)cc1 ZINC000593613810 479403165 /nfs/dbraw/zinc/40/31/65/479403165.db2.gz QOTWFBNFPRDFCM-UHFFFAOYSA-N 0 0 347.396 2.656 10 5 EFBERN COc1cc(CN2CCC[C@@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000611516445 479403356 /nfs/dbraw/zinc/40/33/56/479403356.db2.gz ZMDMCNXCEYPXAJ-OAHLLOKOSA-N 0 0 330.388 2.982 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC23CCCC3)c2ncccc12 ZINC000593618764 479404294 /nfs/dbraw/zinc/40/42/94/479404294.db2.gz SUKZDZZEGLXYDF-UHFFFAOYSA-N 0 0 347.396 2.850 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC12CCCC2 ZINC000593618788 479404368 /nfs/dbraw/zinc/40/43/68/479404368.db2.gz UYBRQYNLYNKUNX-UHFFFAOYSA-N 0 0 330.793 2.955 10 5 EFBERN COc1ccc(F)cc1[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525479 479406172 /nfs/dbraw/zinc/40/61/72/479406172.db2.gz FZQCMONGQVDEPC-VIFPVBQESA-N 0 0 335.335 2.990 10 5 EFBERN 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CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOc2ncccc2C1 ZINC000589373416 479519261 /nfs/dbraw/zinc/51/92/61/479519261.db2.gz CHABLOLISBDWKM-UHFFFAOYSA-N 0 0 342.355 2.979 10 5 EFBERN CCOC(=O)c1cccc(CN(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000600113493 479521968 /nfs/dbraw/zinc/52/19/68/479521968.db2.gz YZAYGINZXGUGSZ-UHFFFAOYSA-N 0 0 329.356 2.799 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000604471892 479522446 /nfs/dbraw/zinc/52/24/46/479522446.db2.gz MQVGBXQLJSUVEH-UHFFFAOYSA-N 0 0 347.415 2.624 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(Cl)o1 ZINC000604473419 479523230 /nfs/dbraw/zinc/52/32/30/479523230.db2.gz VUQNGGGWEDFXOT-UHFFFAOYSA-N 0 0 344.776 2.882 10 5 EFBERN CC(C)(C)Oc1cc(N2CC(F)(F)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000614828426 479523179 /nfs/dbraw/zinc/52/31/79/479523179.db2.gz QAJQQCQQHNNFBO-NSHDSACASA-N 0 0 330.331 2.978 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1OCc2ccccc21 ZINC000593965379 479523686 /nfs/dbraw/zinc/52/36/86/479523686.db2.gz 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479537338 /nfs/dbraw/zinc/53/73/38/479537338.db2.gz MSFDKMZMNGMZKG-UHFFFAOYSA-N 0 0 329.356 2.799 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000589514747 479537542 /nfs/dbraw/zinc/53/75/42/479537542.db2.gz KFRFFYULSDXLRL-MRXNPFEDSA-N 0 0 348.399 2.772 10 5 EFBERN CCCCc1cc(=NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH][nH]1 ZINC000604550596 479538009 /nfs/dbraw/zinc/53/80/09/479538009.db2.gz IJEBHPUSNHLZRX-UHFFFAOYSA-N 0 0 327.344 2.816 10 5 EFBERN Cc1nc(N2CCC3(CC3)C2)nc(N2CCC3(CC3)C2)c1[N+](=O)[O-] ZINC000589600278 479544299 /nfs/dbraw/zinc/54/42/99/479544299.db2.gz SOVRZZKVKGHJEQ-UHFFFAOYSA-N 0 0 329.404 2.674 10 5 EFBERN COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000604562426 479544518 /nfs/dbraw/zinc/54/45/18/479544518.db2.gz NOAFVRYLWVAESC-UHFFFAOYSA-N 0 0 328.324 2.620 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1Cc2ccccc2C1 ZINC000604562906 479544951 /nfs/dbraw/zinc/54/49/51/479544951.db2.gz ZSKZXZUEFUEUDT-UHFFFAOYSA-N 0 0 325.368 2.649 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccs1 ZINC000604566374 479545896 /nfs/dbraw/zinc/54/58/96/479545896.db2.gz YWYYAKGNSSAFRZ-ZDUSSCGKSA-N 0 0 348.380 2.999 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000614937047 479552056 /nfs/dbraw/zinc/55/20/56/479552056.db2.gz AYEYCTHXJJZUNM-ZDUSSCGKSA-N 0 0 345.359 2.669 10 5 EFBERN COC(=O)c1oc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000597053793 479552140 /nfs/dbraw/zinc/55/21/40/479552140.db2.gz UAEGRGWZXBLXGF-UHFFFAOYSA-N 0 0 334.328 2.581 10 5 EFBERN CC(C)(C(=O)NCC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000600166329 479555719 /nfs/dbraw/zinc/55/57/19/479555719.db2.gz ZOLWRLPJNONQIE-GFCCVEGCSA-N 0 0 338.379 2.944 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000600173995 479561428 /nfs/dbraw/zinc/56/14/28/479561428.db2.gz RMCCUAADFCVOCC-SFHVURJKSA-N 0 0 342.351 2.863 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000600173975 479561581 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Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000600178369 479565719 /nfs/dbraw/zinc/56/57/19/479565719.db2.gz WMKXRKSPWOIINM-GOSISDBHSA-N 0 0 342.351 2.863 10 5 EFBERN CC(C)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000614980177 479566820 /nfs/dbraw/zinc/56/68/20/479566820.db2.gz GLKBCVQWAPZMEC-RWMBFGLXSA-N 0 0 335.404 2.735 10 5 EFBERN CC1(C)CCC[C@@](O)(CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000614980248 479567100 /nfs/dbraw/zinc/56/71/00/479567100.db2.gz KNRPSYPGBUISQL-KRWDZBQOSA-N 0 0 330.388 2.703 10 5 EFBERN COC1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1 ZINC000597090623 479567545 /nfs/dbraw/zinc/56/75/45/479567545.db2.gz PKHQSRKLOAYRPU-UHFFFAOYSA-N 0 0 328.756 2.521 10 5 EFBERN CC(C)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000614980174 479567757 /nfs/dbraw/zinc/56/77/57/479567757.db2.gz GLKBCVQWAPZMEC-AVGNSLFASA-N 0 0 335.404 2.735 10 5 EFBERN COC1([C@H](C)NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1 ZINC000597090975 479567892 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C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H](C)[C@H](C)O1 ZINC000597095672 479571638 /nfs/dbraw/zinc/57/16/38/479571638.db2.gz DNNZGDGIKOUMST-HLTSFMKQSA-N 0 0 342.783 2.860 10 5 EFBERN Nc1c(NC(=O)N[C@H]2CCC[C@@H]2CCO)cc(Cl)cc1[N+](=O)[O-] ZINC000597099383 479572110 /nfs/dbraw/zinc/57/21/10/479572110.db2.gz ZAQMISJBONMMSH-SCZZXKLOSA-N 0 0 342.783 2.503 10 5 EFBERN C[C@@H](C[C@H]1CCOC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099916 479572281 /nfs/dbraw/zinc/57/22/81/479572281.db2.gz HGIUFNQKMIKTPN-DTWKUNHWSA-N 0 0 342.783 2.767 10 5 EFBERN CC[C@]1(CO)CCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597098026 479572684 /nfs/dbraw/zinc/57/26/84/479572684.db2.gz RBFHUIAJERAWLR-CQSZACIVSA-N 0 0 342.783 2.599 10 5 EFBERN C[C@H]1OCC[C@@]1(C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101318 479573366 /nfs/dbraw/zinc/57/33/66/479573366.db2.gz PSFNIANCUJIVKJ-FUXBKTLASA-N 0 0 328.756 2.519 10 5 EFBERN C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597101321 479573532 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Nc1c(NC(=O)N[C@@H]2CCCOCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597100968 479573995 /nfs/dbraw/zinc/57/39/95/479573995.db2.gz NJTNOLPSGPJCFP-SECBINFHSA-N 0 0 328.756 2.521 10 5 EFBERN CCCN(CC(C)(C)O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103947 479574977 /nfs/dbraw/zinc/57/49/77/479574977.db2.gz NRENBCCVQWJZJA-UHFFFAOYSA-N 0 0 344.799 2.845 10 5 EFBERN CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000589845353 479575381 /nfs/dbraw/zinc/57/53/81/479575381.db2.gz BSVAEFOXRXDCIW-UHFFFAOYSA-N 0 0 349.337 2.905 10 5 EFBERN CC(C)Oc1cncc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000594066602 479576572 /nfs/dbraw/zinc/57/65/72/479576572.db2.gz QNDXZBTXNIDGAG-UONOGXRCSA-N 0 0 342.355 2.914 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1Nc1cnn(Cc2ccccn2)c1 ZINC000589861519 479576789 /nfs/dbraw/zinc/57/67/89/479576789.db2.gz AKAWZMZXXDYAIU-UHFFFAOYSA-N 0 0 346.350 2.948 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1Nc1cnn(C[C@H]2CCCO2)c1 ZINC000589859604 479577211 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EFBERN O=[N+]([O-])c1ccc(N2CCOc3ncccc3C2)cc1OC(F)F ZINC000615276170 479645364 /nfs/dbraw/zinc/64/53/64/479645364.db2.gz UYQORQSTLZCOKK-UHFFFAOYSA-N 0 0 337.282 2.990 10 5 EFBERN O=C(NC1(c2noc(C(F)F)n2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000590436721 479647108 /nfs/dbraw/zinc/64/71/08/479647108.db2.gz DSCWQQWIEGLKCB-UHFFFAOYSA-N 0 0 338.270 2.725 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CCc2cncn2C1)c1cccc([N+](=O)[O-])c1 ZINC000590443981 479647992 /nfs/dbraw/zinc/64/79/92/479647992.db2.gz WKMCIMDAABDBRB-CZUORRHYSA-N 0 0 328.372 2.621 10 5 EFBERN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000602951163 479648257 /nfs/dbraw/zinc/64/82/57/479648257.db2.gz HDUOXXSSZGYESO-CHWSQXEVSA-N 0 0 330.319 2.537 10 5 EFBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](CCF)C1 ZINC000597279352 479654724 /nfs/dbraw/zinc/65/47/24/479654724.db2.gz OOIFKNNDPSTXLK-LBPRGKRZSA-N 0 0 333.367 2.966 10 5 EFBERN C[C@@H](O)[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000579085594 479657638 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COC(=O)c1cc(C)nc(N[C@H](C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000579144498 479667264 /nfs/dbraw/zinc/66/72/64/479667264.db2.gz DABRKXTWIHJGNH-SNVBAGLBSA-N 0 0 347.346 2.689 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000612449255 479674723 /nfs/dbraw/zinc/67/47/23/479674723.db2.gz KGMYTFPDBGAAOT-DOMZBBRYSA-N 0 0 336.388 2.615 10 5 EFBERN CC(C)(C)[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000612449219 479674759 /nfs/dbraw/zinc/67/47/59/479674759.db2.gz IYCLRWRJGSDZKN-DZGCQCFKSA-N 0 0 330.388 2.771 10 5 EFBERN CC(C)(C)[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000612449220 479674874 /nfs/dbraw/zinc/67/48/74/479674874.db2.gz IYCLRWRJGSDZKN-HIFRSBDPSA-N 0 0 330.388 2.771 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000579226277 479676309 /nfs/dbraw/zinc/67/63/09/479676309.db2.gz BJZQBEWLRCFLLY-AWEZNQCLSA-N 0 0 328.821 2.956 10 5 EFBERN CC1(C)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@]2(CCOC2)O1 ZINC000579231057 479676773 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Cc1cc(OCC(=O)Nc2cccc3cnncc32)ccc1[N+](=O)[O-] ZINC000619531046 479819434 /nfs/dbraw/zinc/81/94/34/479819434.db2.gz GOTDZFURUFQOPA-UHFFFAOYSA-N 0 0 338.323 2.864 10 5 EFBERN Cc1c(NC(=O)c2cocn2)cc(Br)cc1[N+](=O)[O-] ZINC000619534780 479820931 /nfs/dbraw/zinc/82/09/31/479820931.db2.gz KUXBTRDSXUGAIS-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN CCn1nc(C)cc1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000612966250 479821340 /nfs/dbraw/zinc/82/13/40/479821340.db2.gz MKHKYHDBZKQQFJ-UHFFFAOYSA-N 0 0 343.343 2.769 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ncccc2C1 ZINC000613079776 479861950 /nfs/dbraw/zinc/86/19/50/479861950.db2.gz JWOZBWLEBBSCFD-UHFFFAOYSA-N 0 0 333.731 2.678 10 5 EFBERN COc1cc(C(=O)Nc2nc3ccccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000609439246 480160739 /nfs/dbraw/zinc/16/07/39/480160739.db2.gz GNNWDJSMVBOTOI-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2cccc(F)c2)CC1 ZINC000609448801 480161249 /nfs/dbraw/zinc/16/12/49/480161249.db2.gz 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EFBERN CN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327567 523629175 /nfs/dbraw/zinc/62/91/75/523629175.db2.gz RQIJCJFHBMXONF-LBPRGKRZSA-N 0 0 338.410 2.964 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000192689372 523668654 /nfs/dbraw/zinc/66/86/54/523668654.db2.gz IMGUVMGORRGUFJ-LLVKDONJSA-N 0 0 341.375 2.873 10 5 EFBERN CO[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C ZINC000251505679 523736756 /nfs/dbraw/zinc/73/67/56/523736756.db2.gz BWFUKSRFATYKSH-BXUZGUMPSA-N 0 0 332.360 2.502 10 5 EFBERN COc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000155430813 523741678 /nfs/dbraw/zinc/74/16/78/523741678.db2.gz KBJBLZWZFZBLHW-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN CN(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000121107663 523905943 /nfs/dbraw/zinc/90/59/43/523905943.db2.gz GGLGTGWDARMXJL-AWEZNQCLSA-N 0 0 343.314 2.823 10 5 EFBERN COCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000067054707 524055026 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Cc1cc(C)n(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000062130872 524515436 /nfs/dbraw/zinc/51/54/36/524515436.db2.gz DZFGHTWZWHMMFG-UHFFFAOYSA-N 0 0 342.399 2.961 10 5 EFBERN C[C@H](Cc1ccccc1F)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001481 524742065 /nfs/dbraw/zinc/74/20/65/524742065.db2.gz DSOSGYJFLIHAKV-SECBINFHSA-N 0 0 344.389 2.705 10 5 EFBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000119999389 524895839 /nfs/dbraw/zinc/89/58/39/524895839.db2.gz BSOSSBHRICUNKF-ZDUSSCGKSA-N 0 0 328.368 2.933 10 5 EFBERN Cc1cccc2c1OCC[C@@H]2Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191784918 524955619 /nfs/dbraw/zinc/95/56/19/524955619.db2.gz HWNHIKDZAKUQGR-ZDUSSCGKSA-N 0 0 327.340 2.938 10 5 EFBERN Cc1cccc2c1OCC[C@H]2Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191689062 524956916 /nfs/dbraw/zinc/95/69/16/524956916.db2.gz HWNHIKDZAKUQGR-CYBMUJFWSA-N 0 0 327.340 2.938 10 5 EFBERN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000152606122 525118426 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EFBERN Cc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 ZINC000151487580 525442236 /nfs/dbraw/zinc/44/22/36/525442236.db2.gz VWZITENIAFBYDH-QGZVFWFLSA-N 0 0 341.367 2.820 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000120679505 525558868 /nfs/dbraw/zinc/55/88/68/525558868.db2.gz GHORVIDKUHXMFA-AWEZNQCLSA-N 0 0 342.399 2.732 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000120679369 525559664 /nfs/dbraw/zinc/55/96/64/525559664.db2.gz GHORVIDKUHXMFA-CQSZACIVSA-N 0 0 342.399 2.732 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000188274351 525563374 /nfs/dbraw/zinc/56/33/74/525563374.db2.gz BJPSXLOCFGVORT-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2coc(-c3cccc(F)c3)n2)c1=O ZINC000155870721 525574045 /nfs/dbraw/zinc/57/40/45/525574045.db2.gz QXKYUDKHUQQWBQ-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000184768870 525580629 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Cc1c(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000067885707 525829345 /nfs/dbraw/zinc/82/93/45/525829345.db2.gz PXDYSZRWAMYXST-HIFRSBDPSA-N 0 0 339.351 2.514 10 5 EFBERN CS[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000117374636 525838174 /nfs/dbraw/zinc/83/81/74/525838174.db2.gz PEOHOPABGKCKRC-DTWKUNHWSA-N 0 0 336.460 2.609 10 5 EFBERN Cc1c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000183062467 525841464 /nfs/dbraw/zinc/84/14/64/525841464.db2.gz BOEJLQHXWQBOMN-CYBMUJFWSA-N 0 0 330.348 2.780 10 5 EFBERN Cc1c(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000152438854 525847047 /nfs/dbraw/zinc/84/70/47/525847047.db2.gz RFJGAWULDAEIOA-NSHDSACASA-N 0 0 344.375 2.714 10 5 EFBERN Cc1c([C@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1C ZINC000195215140 525913830 /nfs/dbraw/zinc/91/38/30/525913830.db2.gz GUCZFYYLPLQHQM-VIFPVBQESA-N 0 0 327.344 2.609 10 5 EFBERN CSc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000178690296 525969180 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EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263004997 526077983 /nfs/dbraw/zinc/07/79/83/526077983.db2.gz PDJKPGHUTWAULT-XXILOJSOSA-N 0 0 332.278 2.851 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000078384255 526083198 /nfs/dbraw/zinc/08/31/98/526083198.db2.gz ICYIFSPGLCVDEI-ZDUSSCGKSA-N 0 0 332.385 2.967 10 5 EFBERN CSc1cccc(C(=O)NC[C@@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000188186577 526089498 /nfs/dbraw/zinc/08/94/98/526089498.db2.gz SPTONXURHKTDJE-ZDUSSCGKSA-N 0 0 346.408 2.823 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCc2c(N)cccc21 ZINC000261908147 526159974 /nfs/dbraw/zinc/15/99/74/526159974.db2.gz XODBAYMXFCNKBO-GFCCVEGCSA-N 0 0 340.383 2.957 10 5 EFBERN Cc1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000170952914 526168382 /nfs/dbraw/zinc/16/83/82/526168382.db2.gz IAMUJWUFPCEIAY-UHFFFAOYSA-N 0 0 336.294 2.990 10 5 EFBERN C[C@H](C(=O)[O-])[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000263201649 526182229 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O=C(CCn1cc([N+](=O)[O-])cn1)N1CC=C(c2cccs2)CC1 ZINC000117719989 526671069 /nfs/dbraw/zinc/67/10/69/526671069.db2.gz DQBFYQMTNIMXFH-UHFFFAOYSA-N 0 0 332.385 2.559 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135343118 526714955 /nfs/dbraw/zinc/71/49/55/526714955.db2.gz IINDJVAWMKMPIH-MRXNPFEDSA-N 0 0 328.324 2.514 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](Oc2cccnc2)C1 ZINC000151500881 526715219 /nfs/dbraw/zinc/71/52/19/526715219.db2.gz VTRCUHMRAYZGII-ZDUSSCGKSA-N 0 0 347.758 2.937 10 5 EFBERN O=C(NCc1cscn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000119718712 526812265 /nfs/dbraw/zinc/81/22/65/526812265.db2.gz CSTQBRWAURXUKY-UHFFFAOYSA-N 0 0 332.385 2.926 10 5 EFBERN Cc1sc(C(=O)NCCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000113103299 526871586 /nfs/dbraw/zinc/87/15/86/526871586.db2.gz MYHSMBIAJMUEPL-UHFFFAOYSA-N 0 0 333.369 2.723 10 5 EFBERN Cc1sc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000112019869 526872955 /nfs/dbraw/zinc/87/29/55/526872955.db2.gz PQUHIFCZIGIBMX-VIFPVBQESA-N 0 0 333.369 2.722 10 5 EFBERN Cc1sc(C(=O)Nc2cc(Cl)c(=O)n(C)c2)cc1[N+](=O)[O-] ZINC000156099329 526873556 /nfs/dbraw/zinc/87/35/56/526873556.db2.gz LYNMGRHTYUYVPD-UHFFFAOYSA-N 0 0 327.749 2.569 10 5 EFBERN COC[C@@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347167807 536503031 /nfs/dbraw/zinc/50/30/31/536503031.db2.gz MQFKLTAAGICVQQ-QMMMGPOBSA-N 0 0 346.181 2.761 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171648142 526967429 /nfs/dbraw/zinc/96/74/29/526967429.db2.gz HZXPLDAUAZXQOO-GFCCVEGCSA-N 0 0 347.396 2.836 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000178720186 526979444 /nfs/dbraw/zinc/97/94/44/526979444.db2.gz NJXKLJQCHVKPMN-HUUCEWRRSA-N 0 0 332.743 2.636 10 5 EFBERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000245773054 526984555 /nfs/dbraw/zinc/98/45/55/526984555.db2.gz GSOKADGIMPFWAR-LERXQTSPSA-N 0 0 336.775 2.936 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000067047014 526996603 /nfs/dbraw/zinc/99/66/03/526996603.db2.gz ZEAYZGQQNXASFG-LBPRGKRZSA-N 0 0 347.396 2.836 10 5 EFBERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[N+](=O)[O-] ZINC000137373059 527051800 /nfs/dbraw/zinc/05/18/00/527051800.db2.gz PBHCYHLVRCLNIY-NSHDSACASA-N 0 0 346.774 2.652 10 5 EFBERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000137362577 527051903 /nfs/dbraw/zinc/05/19/03/527051903.db2.gz GLVVNHRZFLFEJA-LBPRGKRZSA-N 0 0 346.774 2.652 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000182301937 527260803 /nfs/dbraw/zinc/26/08/03/527260803.db2.gz NLMVGUFRTAKEAA-LNLATYFQSA-N 0 0 341.161 2.863 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000173061434 527270640 /nfs/dbraw/zinc/27/06/40/527270640.db2.gz MFQICPKSHLNNNM-QGZVFWFLSA-N 0 0 341.367 2.745 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000044709412 527311904 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O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc2ncccc21 ZINC000195479822 527400307 /nfs/dbraw/zinc/40/03/07/527400307.db2.gz MXZJSNMAOQCFFP-UHFFFAOYSA-N 0 0 343.364 2.622 10 5 EFBERN Nc1c(C(=O)NCCCc2cccc(F)c2)cc(F)cc1[N+](=O)[O-] ZINC000068498670 527427111 /nfs/dbraw/zinc/42/71/11/527427111.db2.gz GEHDXEJQQWKSJP-UHFFFAOYSA-N 0 0 335.310 2.818 10 5 EFBERN O=c1[nH]cnc2cc(NCCC[C@@H]3CCCC[C@H]3O)c([N+](=O)[O-])cc12 ZINC000154476729 527445898 /nfs/dbraw/zinc/44/58/98/527445898.db2.gz SZDVNVRMSPDSTJ-MEDUHNTESA-N 0 0 346.387 2.575 10 5 EFBERN Nc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000170890828 527468021 /nfs/dbraw/zinc/46/80/21/527468021.db2.gz JBGJEPSOVWBEJT-NSHDSACASA-N 0 0 332.385 2.653 10 5 EFBERN O=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000109982554 527519686 /nfs/dbraw/zinc/51/96/86/527519686.db2.gz CEVYITWDARZXBI-CYBMUJFWSA-N 0 0 349.387 2.631 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000175631408 527599776 /nfs/dbraw/zinc/59/97/76/527599776.db2.gz RHUSXHAZSRPVCZ-PWSUYJOCSA-N 0 0 332.360 2.843 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccnc1-n1ccnc1 ZINC000056654269 527617791 /nfs/dbraw/zinc/61/77/91/527617791.db2.gz HKKPBPLJNFJRST-VMPITWQZSA-N 0 0 349.350 2.505 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@H]1CO ZINC000081497853 527655420 /nfs/dbraw/zinc/65/54/20/527655420.db2.gz UTYGFSDIGOPZFL-RDJZCZTQSA-N 0 0 349.431 2.768 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C12CCOCC2 ZINC000187133993 527826872 /nfs/dbraw/zinc/82/68/72/527826872.db2.gz OLAVRBRPCMXHTN-HZPDHXFCSA-N 0 0 348.399 2.607 10 5 EFBERN CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C12CCOCC2 ZINC000187158548 527932182 /nfs/dbraw/zinc/93/21/82/527932182.db2.gz LQLCLPLJBQFDBW-JKSUJKDBSA-N 0 0 348.399 2.607 10 5 EFBERN CO[C@H](C)c1noc(CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000357708697 536523491 /nfs/dbraw/zinc/52/34/91/536523491.db2.gz LTSYTPOXOTWVII-SECBINFHSA-N 0 0 340.767 2.971 10 5 EFBERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000171139752 527952045 /nfs/dbraw/zinc/95/20/45/527952045.db2.gz OPJQLSGCLSKNJQ-ZDUSSCGKSA-N 0 0 334.376 2.507 10 5 EFBERN CCO[C@H]1C[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C12CCOCC2 ZINC000187067129 528092815 /nfs/dbraw/zinc/09/28/15/528092815.db2.gz ZHTQLVASQBXDFP-CVEARBPZSA-N 0 0 348.399 2.607 10 5 EFBERN CCCN(CCc1ccccn1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183605087 528109200 /nfs/dbraw/zinc/10/92/00/528109200.db2.gz PKYSNHWCMVHFDL-UHFFFAOYSA-N 0 0 329.360 2.871 10 5 EFBERN CC(C)COc1ccc([C@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000154248930 528165021 /nfs/dbraw/zinc/16/50/21/528165021.db2.gz KZNDGVZMLXLEJD-NSHDSACASA-N 0 0 332.360 2.844 10 5 EFBERN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000183639449 528202961 /nfs/dbraw/zinc/20/29/61/528202961.db2.gz CJAOELQWZRZMHR-VIFPVBQESA-N 0 0 328.390 2.897 10 5 EFBERN CC(C)C[C@@H](CO)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000187116310 528335484 /nfs/dbraw/zinc/33/54/84/528335484.db2.gz SMLAPHQNJRIDDJ-JSGCOSHPSA-N 0 0 340.445 2.941 10 5 EFBERN CC(C)C[C@H](CO)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000187119591 528541280 /nfs/dbraw/zinc/54/12/80/528541280.db2.gz JQFVUMRNZPBFKQ-OAHLLOKOSA-N 0 0 349.431 2.674 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000171946253 528544988 /nfs/dbraw/zinc/54/49/88/528544988.db2.gz KCQCDFKNSZMDOQ-QMMMGPOBSA-N 0 0 334.298 2.685 10 5 EFBERN CCOC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133068810 528559422 /nfs/dbraw/zinc/55/94/22/528559422.db2.gz JHLLLPAJGBHUTR-UHFFFAOYSA-N 0 0 348.277 2.685 10 5 EFBERN CCN(CCc1nccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000159221215 528608295 /nfs/dbraw/zinc/60/82/95/528608295.db2.gz JFSZEVCVJSUDQR-UHFFFAOYSA-N 0 0 348.428 2.579 10 5 EFBERN CCOC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000179528026 528689532 /nfs/dbraw/zinc/68/95/32/528689532.db2.gz IFOBEJLYYNRBQL-UHFFFAOYSA-N 0 0 345.149 2.639 10 5 EFBERN CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)CS(=O)(=O)CC ZINC000183348466 528796274 /nfs/dbraw/zinc/79/62/74/528796274.db2.gz CKOZYHHTKUKJLY-CYBMUJFWSA-N 0 0 328.434 2.548 10 5 EFBERN CCOC(=O)NCCCC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000161572351 529076744 /nfs/dbraw/zinc/07/67/44/529076744.db2.gz KIKCILMYXSGVPM-CQSZACIVSA-N 0 0 337.376 2.688 10 5 EFBERN CC[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000175112600 529193017 /nfs/dbraw/zinc/19/30/17/529193017.db2.gz XSBCPFBBGSBACJ-HUUCEWRRSA-N 0 0 342.417 2.534 10 5 EFBERN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191644650 529219123 /nfs/dbraw/zinc/21/91/23/529219123.db2.gz RDVSEWRDUPFNJR-GHMZBOCLSA-N 0 0 326.422 2.557 10 5 EFBERN CO[C@H](CCNc1nc2ccccc2cc1[N+](=O)[O-])C(F)(F)F ZINC000352358477 536543523 /nfs/dbraw/zinc/54/35/23/536543523.db2.gz YEZOFIJSKUANBF-GFCCVEGCSA-N 0 0 329.278 2.944 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2ncn(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000412261357 534950975 /nfs/dbraw/zinc/95/09/75/534950975.db2.gz WCTZRHCQZWKNGC-UHFFFAOYSA-N 0 0 347.375 2.981 10 5 EFBERN CC(C)CC[C@](C)(O)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000305705676 534959655 /nfs/dbraw/zinc/95/96/55/534959655.db2.gz QLBNIKCLEOMUAU-SFHVURJKSA-N 0 0 347.415 2.922 10 5 EFBERN CC(C)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1C(N)=O ZINC000433961611 534964127 /nfs/dbraw/zinc/96/41/27/534964127.db2.gz JKGSQAZCXZEKRX-UHFFFAOYSA-N 0 0 349.368 2.795 10 5 EFBERN CC(C)c1noc2ncc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)cc21 ZINC000344228199 535036557 /nfs/dbraw/zinc/03/65/57/535036557.db2.gz UJAPELTUFQSJDT-UHFFFAOYSA-N 0 0 341.327 2.926 10 5 EFBERN CC1(C2CC2)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000352731089 535108386 /nfs/dbraw/zinc/10/83/86/535108386.db2.gz BIHPSOUDNMVVQA-UHFFFAOYSA-N 0 0 338.429 2.937 10 5 EFBERN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000338369832 535111125 /nfs/dbraw/zinc/11/11/25/535111125.db2.gz DTHKKRRJTKKROM-HNNXBMFYSA-N 0 0 339.355 2.765 10 5 EFBERN 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CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000772055821 581276583 /nfs/dbraw/zinc/27/65/83/581276583.db2.gz HZECEDQJSNALIY-LLVKDONJSA-N 0 0 345.355 2.880 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)OCCCSCc2ccccc2)n1 ZINC000772060781 581277137 /nfs/dbraw/zinc/27/71/37/581277137.db2.gz NPALKYCIQJBMJL-UHFFFAOYSA-N 0 0 335.385 2.809 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)OCCc2ccc3ccccc3c2)n1 ZINC000772060826 581277257 /nfs/dbraw/zinc/27/72/57/581277257.db2.gz OQKWWHQDEPTPSC-UHFFFAOYSA-N 0 0 325.324 2.881 10 5 EFBERN O=C1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCN1C1CC1 ZINC000772099691 581282941 /nfs/dbraw/zinc/28/29/41/581282941.db2.gz YLMHWPKVTSUXGU-UHFFFAOYSA-N 0 0 330.171 2.713 10 5 EFBERN O=C1OCC[C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CCN12 ZINC000772139236 581287882 /nfs/dbraw/zinc/28/78/82/581287882.db2.gz KQZSFXPQAZJBHG-QMMMGPOBSA-N 0 0 346.170 2.933 10 5 EFBERN COC(=O)N1CCC[C@H]([C@H](C)Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000772264786 581301865 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COCCOCCOC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000773599673 581449320 /nfs/dbraw/zinc/44/93/20/581449320.db2.gz IKQDQRGIMDDQBK-UHFFFAOYSA-N 0 0 341.363 2.501 10 5 EFBERN COc1cc(COC(=O)c2ccc(CO)c(F)c2)ccc1[N+](=O)[O-] ZINC000773616592 581451003 /nfs/dbraw/zinc/45/10/03/581451003.db2.gz LIAPLOTVTRPIBG-UHFFFAOYSA-N 0 0 335.287 2.592 10 5 EFBERN Cc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc(OCCO)c1 ZINC000773746690 581460768 /nfs/dbraw/zinc/46/07/68/581460768.db2.gz NUECUINPPYLGPG-UHFFFAOYSA-N 0 0 334.303 2.666 10 5 EFBERN Cn1c(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] ZINC000773814004 581465809 /nfs/dbraw/zinc/46/58/09/581465809.db2.gz GDAGIVAAYZGRPR-UHFFFAOYSA-N 0 0 346.774 2.911 10 5 EFBERN Cc1n[nH]c(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c1[N+](=O)[O-] ZINC000773835865 581468127 /nfs/dbraw/zinc/46/81/27/581468127.db2.gz XIJPGCGSAXUQPC-UHFFFAOYSA-N 0 0 347.762 2.604 10 5 EFBERN CCN1CCCC[C@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1C ZINC000774294697 581489000 /nfs/dbraw/zinc/48/90/00/581489000.db2.gz AKYWCNUCEKRTDP-HNNXBMFYSA-N 0 0 336.388 2.700 10 5 EFBERN CCO[C@@H]1C[C@@H]1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000774314080 581489378 /nfs/dbraw/zinc/48/93/78/581489378.db2.gz MAXBLNIWOVSWBT-QMTHXVAHSA-N 0 0 325.336 2.980 10 5 EFBERN CCO[C@H]1C[C@H]1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000774313952 581489385 /nfs/dbraw/zinc/48/93/85/581489385.db2.gz MAXBLNIWOVSWBT-HZMBPMFUSA-N 0 0 325.336 2.980 10 5 EFBERN COCc1nc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)co1 ZINC000774345637 581489897 /nfs/dbraw/zinc/48/98/97/581489897.db2.gz RYGPZDXTGPCJKH-UHFFFAOYSA-N 0 0 338.341 2.678 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)O[C@H](C(F)F)[C@@H]1CCCO1 ZINC000774440636 581491633 /nfs/dbraw/zinc/49/16/33/581491633.db2.gz YWSBMXKFJXIJGK-PRHFBSNISA-N 0 0 327.283 2.964 10 5 EFBERN COc1ccc(CC(=O)O[C@@H](C(F)F)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000774441907 581491639 /nfs/dbraw/zinc/49/16/39/581491639.db2.gz KLGVITDHGDOCOB-GXTWGEPZSA-N 0 0 345.298 2.502 10 5 EFBERN COc1ccc(C(=O)O[C@H](C(F)F)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000774446446 581491733 /nfs/dbraw/zinc/49/17/33/581491733.db2.gz WAFWCHZRVIWRRH-RYUDHWBXSA-N 0 0 331.271 2.573 10 5 EFBERN COC(=O)C[C@H](C)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000774521507 581493177 /nfs/dbraw/zinc/49/31/77/581493177.db2.gz YDHNIABLPMKCPH-UWVGGRQHSA-N 0 0 327.358 2.570 10 5 EFBERN C[C@@H](NC(=S)NCCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000774578914 581494585 /nfs/dbraw/zinc/49/45/85/581494585.db2.gz HFBMXJPFIXXUON-GFCCVEGCSA-N 0 0 330.413 2.758 10 5 EFBERN C[C@@H](NC(=S)NCCc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000774583881 581494657 /nfs/dbraw/zinc/49/46/57/581494657.db2.gz YCCJNCTWRRYSLQ-GFCCVEGCSA-N 0 0 330.413 2.758 10 5 EFBERN CN(CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)OC(C)(C)C ZINC000774659673 581496741 /nfs/dbraw/zinc/49/67/41/581496741.db2.gz XJUDKLWJXILXGB-UHFFFAOYSA-N 0 0 335.364 2.750 10 5 EFBERN Cc1nn(CN2CCC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000774697748 581498150 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10 5 EFBERN C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1cnn(C)c1 ZINC001126452148 1250191166 /nfs/dbraw/zinc/19/11/66/1250191166.db2.gz UXCKLZGAAHJHNQ-JTQLQIEISA-N 0 0 339.355 2.555 10 5 EFBERN Cn1ncc(C2CCC2)c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000849990458 1250210816 /nfs/dbraw/zinc/21/08/16/1250210816.db2.gz WQLKPPDWIIGXAP-UHFFFAOYSA-N 0 0 343.339 2.636 10 5 EFBERN CC(C)(C)c1cc(Cn2cc([N+](=O)[O-])nc2Br)no1 ZINC000849991943 1250211851 /nfs/dbraw/zinc/21/18/51/1250211851.db2.gz GZSMPVMEQBWYQO-UHFFFAOYSA-N 0 0 329.154 2.888 10 5 EFBERN Cn1ncc(C2CCC2)c1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000849990975 1250212119 /nfs/dbraw/zinc/21/21/19/1250212119.db2.gz QAEFUEINSYJMMS-UHFFFAOYSA-N 0 0 345.355 2.832 10 5 EFBERN O=[N+]([O-])c1cn(Cc2nc(C3CCCC3)no2)c(Br)n1 ZINC000849992220 1250213526 /nfs/dbraw/zinc/21/35/26/1250213526.db2.gz RFDXRKCQDQIJMX-UHFFFAOYSA-N 0 0 342.153 2.643 10 5 EFBERN COc1cc(COC(=O)[C@H](OC)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000850042031 1250242395 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CCOC(=O)c1c(C)onc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000811035692 1283970862 /nfs/dbraw/zinc/97/08/62/1283970862.db2.gz SAPNEODVGRDGHX-UHFFFAOYSA-N 0 0 348.311 2.733 10 5 EFBERN CCOC(=O)c1c(C)onc1COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000811044187 1283979990 /nfs/dbraw/zinc/97/99/90/1283979990.db2.gz UTRYOCVPRKXVBY-UHFFFAOYSA-N 0 0 348.311 2.733 10 5 EFBERN CCOC(=O)c1c(C)onc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000811105654 1284014099 /nfs/dbraw/zinc/01/40/99/1284014099.db2.gz LZAFCITWJDIKMU-UHFFFAOYSA-N 0 0 348.311 2.733 10 5 EFBERN COc1cc(OC)cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001132637074 1284034144 /nfs/dbraw/zinc/03/41/44/1284034144.db2.gz FVCKXRLSQYPGDH-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN Cc1ccc(CNC(=O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001132637489 1284035268 /nfs/dbraw/zinc/03/52/68/1284035268.db2.gz QBRZTCFKJGSPCX-UHFFFAOYSA-N 0 0 336.294 2.877 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001132750582 1284233937 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2.640 10 5 EFBERN O=C(C[C@@H](O)Cc1ccccc1)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000811405472 1284293355 /nfs/dbraw/zinc/29/33/55/1284293355.db2.gz MUASLSBZCZRLLU-AWEZNQCLSA-N 0 0 333.315 2.771 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1F ZINC000811567502 1284395563 /nfs/dbraw/zinc/39/55/63/1284395563.db2.gz YZGKDNVADHMZJP-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001132924282 1284473261 /nfs/dbraw/zinc/47/32/61/1284473261.db2.gz BKXYZMRQVGLNLI-ZXIHIIQKSA-N 0 0 342.317 2.693 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001132963064 1284514180 /nfs/dbraw/zinc/51/41/80/1284514180.db2.gz QRUULNZXKSMTLS-ZDUSSCGKSA-N 0 0 343.339 2.730 10 5 EFBERN C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)COC(=O)N1 ZINC001132965001 1284517455 /nfs/dbraw/zinc/51/74/55/1284517455.db2.gz KSIVGBRPMZAORR-OAHLLOKOSA-N 0 0 347.352 2.864 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC001132960383 1284545158 /nfs/dbraw/zinc/54/51/58/1284545158.db2.gz UPPYPQPZZSBPBA-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN CNC(=O)N(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001132961928 1284547949 /nfs/dbraw/zinc/54/79/49/1284547949.db2.gz NZDZEGPOHFRJSX-UHFFFAOYSA-N 0 0 328.328 2.623 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811732705 1284571271 /nfs/dbraw/zinc/57/12/71/1284571271.db2.gz VKIAJQJOHBIRPE-MEDUHNTESA-N 0 0 329.400 2.950 10 5 EFBERN CCSCc1cccnc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC001132984468 1284572917 /nfs/dbraw/zinc/57/29/17/1284572917.db2.gz OTYJOLOSDITRAS-UHFFFAOYSA-N 0 0 349.416 2.777 10 5 EFBERN CC(C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001176174747 1287728135 /nfs/dbraw/zinc/72/81/35/1287728135.db2.gz GHLHMOYGLIMMPR-UHFFFAOYSA-N 0 0 349.337 2.997 10 5 EFBERN O=[N+]([O-])c1ccc(OCCN2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001176178597 1287728538 /nfs/dbraw/zinc/72/85/38/1287728538.db2.gz ZAXYTGRQPRXMLT-GFCCVEGCSA-N 0 0 336.335 2.953 10 5 EFBERN CN(C)C(=O)[C@H](Cc1ccccc1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000811823978 1284688180 /nfs/dbraw/zinc/68/81/80/1284688180.db2.gz BBMJWXNYPADAIN-HNNXBMFYSA-N 0 0 331.347 2.845 10 5 EFBERN COc1ccnc(OC)c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001133107390 1284793728 /nfs/dbraw/zinc/79/37/28/1284793728.db2.gz RIXUFMXJOPZROJ-UHFFFAOYSA-N 0 0 331.328 2.578 10 5 EFBERN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000812016406 1284798030 /nfs/dbraw/zinc/79/80/30/1284798030.db2.gz FQQBNTSROLNDLF-BLLLJJGKSA-N 0 0 329.356 2.516 10 5 EFBERN Nc1nccc2c1CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)CC2 ZINC000952993038 1284969517 /nfs/dbraw/zinc/96/95/17/1284969517.db2.gz VHKCSVRYQRFZOA-UHFFFAOYSA-N 0 0 336.298 2.736 10 5 EFBERN C[C@H](Cc1cn(C)nn1)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000952992554 1284969657 /nfs/dbraw/zinc/96/96/57/1284969657.db2.gz NTKBEZLKXKPAQE-MRVPVSSYSA-N 0 0 340.181 2.529 10 5 EFBERN C[C@@]1(c2ccc(F)cc2)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000812219415 1284970575 /nfs/dbraw/zinc/97/05/75/1284970575.db2.gz HIOVZJXSYRLISB-INIZCTEOSA-N 0 0 329.287 2.706 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)NCCCCF)c(Cl)cc1Cl ZINC000812515838 1285207693 /nfs/dbraw/zinc/20/76/93/1285207693.db2.gz PFYADGZBFHILEH-UHFFFAOYSA-N 0 0 345.179 2.930 10 5 EFBERN C[C@@H](NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001133344176 1285225298 /nfs/dbraw/zinc/22/52/98/1285225298.db2.gz QUIASWPGCMIXMI-KGYLQXTDSA-N 0 0 349.387 2.685 10 5 EFBERN CCC(=O)Nc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000812539080 1285225692 /nfs/dbraw/zinc/22/56/92/1285225692.db2.gz ZLDJNPOVYWUAGW-UHFFFAOYSA-N 0 0 341.367 2.916 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC001133390335 1285328108 /nfs/dbraw/zinc/32/81/08/1285328108.db2.gz OEJXHQQPNLHMPN-UHFFFAOYSA-N 0 0 329.287 2.789 10 5 EFBERN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1CC(F)(F)F ZINC000812685898 1285350924 /nfs/dbraw/zinc/35/09/24/1285350924.db2.gz VZBSINIEMGKOLT-LBPRGKRZSA-N 0 0 332.278 2.665 10 5 EFBERN Cn1cc(-c2ncc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)s2)cn1 ZINC000812813105 1285428445 /nfs/dbraw/zinc/42/84/45/1285428445.db2.gz BKOSGNNJDVRVCV-UHFFFAOYSA-N 0 0 348.388 2.582 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2nccc3c2CCCC3)n1 ZINC001133452836 1285441610 /nfs/dbraw/zinc/44/16/10/1285441610.db2.gz LHFWYPWQBSEHMQ-UHFFFAOYSA-N 0 0 326.356 2.502 10 5 EFBERN C[C@H](NC(=O)c1ncc2c(F)cccn21)c1ccc([N+](=O)[O-])cc1 ZINC001133484537 1285492667 /nfs/dbraw/zinc/49/26/67/1285492667.db2.gz UTVUSGZFRUELHZ-JTQLQIEISA-N 0 0 328.303 2.873 10 5 EFBERN Cc1nccc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000812924157 1285526821 /nfs/dbraw/zinc/52/68/21/1285526821.db2.gz GZICAHNEAQDVCH-UHFFFAOYSA-N 0 0 341.154 2.930 10 5 EFBERN Cc1nc(C(C)C)oc1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001171461452 1285558614 /nfs/dbraw/zinc/55/86/14/1285558614.db2.gz JZURRGSQKYYCHU-KRWDZBQOSA-N 0 0 347.371 2.652 10 5 EFBERN COC(=O)c1cc(C(=O)NC[C@]23C[C@H]2CCCC3)cc([N+](=O)[O-])c1 ZINC001133558089 1285583682 /nfs/dbraw/zinc/58/36/82/1285583682.db2.gz JBJOFFSECCEGBQ-DYVFJYSZSA-N 0 0 332.356 2.692 10 5 EFBERN C[C@H](COC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813101905 1285651403 /nfs/dbraw/zinc/65/14/03/1285651403.db2.gz LFMNCEAHHNWJQY-CABCVRRESA-N 0 0 334.416 2.538 10 5 EFBERN C[C@@H](COC(=O)COc1ccccc1Cc1ccccc1)[N+](=O)[O-] ZINC000813100114 1285652027 /nfs/dbraw/zinc/65/20/27/1285652027.db2.gz NBXHOBPWUHXPSF-AWEZNQCLSA-N 0 0 329.352 2.865 10 5 EFBERN C[C@H](COC(=O)C1(c2ccccc2Br)CC1)[N+](=O)[O-] ZINC000813102848 1285654241 /nfs/dbraw/zinc/65/42/41/1285654241.db2.gz KFTZNGHSYGUOMF-SECBINFHSA-N 0 0 328.162 2.689 10 5 EFBERN C[C@H](COC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813105238 1285677085 /nfs/dbraw/zinc/67/70/85/1285677085.db2.gz KXHOSCSBYPVNJP-MIMYLULJSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@@H](COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)[N+](=O)[O-] ZINC000813106167 1285678326 /nfs/dbraw/zinc/67/83/26/1285678326.db2.gz ZRSMPBCJLQDWJF-VIFPVBQESA-N 0 0 343.261 2.713 10 5 EFBERN COc1cc(C)c(Br)cc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813106262 1285678408 /nfs/dbraw/zinc/67/84/08/1285678408.db2.gz BQKFXAFIPOMRSG-MRVPVSSYSA-N 0 0 332.150 2.588 10 5 EFBERN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])CC1=O ZINC000813108978 1285681674 /nfs/dbraw/zinc/68/16/74/1285681674.db2.gz CXXQXFJCORCCQA-BFHYXJOUSA-N 0 0 348.399 2.761 10 5 EFBERN CCOc1ccc(C(C)(C)C(=O)OC[C@@H](C)[N+](=O)[O-])cc1OCC ZINC000813112493 1285683843 /nfs/dbraw/zinc/68/38/43/1285683843.db2.gz QRMSYNZDDSTLRO-GFCCVEGCSA-N 0 0 339.388 2.970 10 5 EFBERN CCCOc1c(Cl)cc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1OC ZINC000813113672 1285684149 /nfs/dbraw/zinc/68/41/49/1285684149.db2.gz HRTFHZLSLIPRFU-VIFPVBQESA-N 0 0 331.752 2.959 10 5 EFBERN C[C@H](COC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)[N+](=O)[O-] ZINC000813111352 1285684383 /nfs/dbraw/zinc/68/43/83/1285684383.db2.gz RONCQGVGJQJOHY-RDTXWAMCSA-N 0 0 340.379 2.999 10 5 EFBERN C[C@H](COC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813114783 1285685421 /nfs/dbraw/zinc/68/54/21/1285685421.db2.gz WNKRJCSDQXFQBP-DTWKUNHWSA-N 0 0 348.168 2.975 10 5 EFBERN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813115198 1285686575 /nfs/dbraw/zinc/68/65/75/1285686575.db2.gz MPHVIZQEVQUZRZ-VIFPVBQESA-N 0 0 328.390 2.863 10 5 EFBERN CCCCOCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171467 1285702995 /nfs/dbraw/zinc/70/29/95/1285702995.db2.gz WJFTYBAJBCTIJX-INIZCTEOSA-N 0 0 336.388 2.529 10 5 EFBERN O=C(CCOCC1CC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172160 1285703097 /nfs/dbraw/zinc/70/30/97/1285703097.db2.gz GSBCWGLAQOAQQN-KRWDZBQOSA-N 0 0 348.399 2.529 10 5 EFBERN CC1(OCC(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC000813172883 1285703426 /nfs/dbraw/zinc/70/34/26/1285703426.db2.gz RVIQRQUILWLYTC-INIZCTEOSA-N 0 0 348.399 2.672 10 5 EFBERN CS[C@H](C)CC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174106 1285703832 /nfs/dbraw/zinc/70/38/32/1285703832.db2.gz PTOWMGUNGIWIMG-DOMZBBRYSA-N 0 0 338.429 2.854 10 5 EFBERN CCOC(=O)C1(COC(=O)Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000813148500 1285706142 /nfs/dbraw/zinc/70/61/42/1285706142.db2.gz RSUUDKKIDTVQAP-UHFFFAOYSA-N 0 0 335.356 2.722 10 5 EFBERN O=C(NCc1cc(Cl)cc(Cl)c1F)c1c[nH]nc1[N+](=O)[O-] ZINC001171708067 1285732090 /nfs/dbraw/zinc/73/20/90/1285732090.db2.gz DYMVUMBTOUSAKT-UHFFFAOYSA-N 0 0 333.106 2.694 10 5 EFBERN Cc1nn(CC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2ncccc12 ZINC001133654648 1285735104 /nfs/dbraw/zinc/73/51/04/1285735104.db2.gz PBZNIDRSVIJQOH-LLVKDONJSA-N 0 0 339.355 2.525 10 5 EFBERN CCOC(=O)CCC1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000747844125 1285756407 /nfs/dbraw/zinc/75/64/07/1285756407.db2.gz HUDBMRDJVGDWDA-UHFFFAOYSA-N 0 0 346.387 2.802 10 5 EFBERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000813244349 1285758522 /nfs/dbraw/zinc/75/85/22/1285758522.db2.gz YCMNMOYOKSKAAO-GFCCVEGCSA-N 0 0 339.779 2.834 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001133685827 1285779446 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EFBERN O=C(N[C@H](CO)c1ccsc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000813521813 1285961302 /nfs/dbraw/zinc/96/13/02/1285961302.db2.gz QDFCFSPOHAONHH-LLVKDONJSA-N 0 0 326.761 2.773 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Oc1ccc2c(c1)CC(=O)N2 ZINC000813554072 1285974336 /nfs/dbraw/zinc/97/43/36/1285974336.db2.gz MTVSPPFJESJPFH-UHFFFAOYSA-N 0 0 348.261 2.516 10 5 EFBERN O=C(NCc1ncccc1O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813547530 1285990380 /nfs/dbraw/zinc/99/03/80/1285990380.db2.gz SOUJTEPMOUJODQ-UHFFFAOYSA-N 0 0 342.138 2.932 10 5 EFBERN COc1ccc([C@@H](O)CNc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000813584526 1286000266 /nfs/dbraw/zinc/00/02/66/1286000266.db2.gz IFRQBSCTVMIFHM-KRWDZBQOSA-N 0 0 339.351 2.719 10 5 EFBERN C[C@@](O)(CNc1c2ccccc2ncc1[N+](=O)[O-])c1cccs1 ZINC000813595718 1286007548 /nfs/dbraw/zinc/00/75/48/1286007548.db2.gz GPRPOIMTRODCPR-MRXNPFEDSA-N 0 0 329.381 2.946 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1ncon1 ZINC001179109339 1289045371 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342.355 2.874 10 5 EFBERN Cc1nc2c(s1)[C@@H](Nc1c(C(N)=O)cccc1[N+](=O)[O-])CCC2 ZINC000817121863 1288423250 /nfs/dbraw/zinc/42/32/50/1288423250.db2.gz ZCEICRDYNXHCHA-NSHDSACASA-N 0 0 332.385 2.948 10 5 EFBERN Cc1nc2c(s1)[C@H](Nc1c(C(N)=O)cccc1[N+](=O)[O-])CCC2 ZINC000817121862 1288423911 /nfs/dbraw/zinc/42/39/11/1288423911.db2.gz ZCEICRDYNXHCHA-LLVKDONJSA-N 0 0 332.385 2.948 10 5 EFBERN CC(C)(C)OC(=O)N1CCC12CCN(c1cccnc1[N+](=O)[O-])CC2 ZINC000817128582 1288428835 /nfs/dbraw/zinc/42/88/35/1288428835.db2.gz PEJSGPAIBAFBTG-UHFFFAOYSA-N 0 0 348.403 2.970 10 5 EFBERN Cc1ccc(CSCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001135825542 1288438706 /nfs/dbraw/zinc/43/87/06/1288438706.db2.gz XQXBJYXMJSTHBF-UHFFFAOYSA-N 0 0 346.412 2.544 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1nnc(C2CCC2)n1C ZINC000817239846 1288481487 /nfs/dbraw/zinc/48/14/87/1288481487.db2.gz PCFXTEVFPLJBOF-UHFFFAOYSA-N 0 0 344.371 2.965 10 5 EFBERN COc1ccccc1NCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001177588139 1288484324 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2.614 10 5 EFBERN C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000852199441 1299593917 /nfs/dbraw/zinc/59/39/17/1299593917.db2.gz LSGUIBJVYCPJFC-MNOVXSKESA-N 0 0 341.795 2.957 10 5 EFBERN Cc1ccncc1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852200060 1299594004 /nfs/dbraw/zinc/59/40/04/1299594004.db2.gz UUVLARPGKINBRL-UHFFFAOYSA-N 0 0 348.790 2.994 10 5 EFBERN C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccnn1C ZINC000817424146 1288597607 /nfs/dbraw/zinc/59/76/07/1288597607.db2.gz HIXKBGIPAFTOPV-SNVBAGLBSA-N 0 0 336.779 2.744 10 5 EFBERN O=C(NCc1cc(C(F)F)on1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001178010676 1288621532 /nfs/dbraw/zinc/62/15/32/1288621532.db2.gz JLYROIYTKFJWAF-UHFFFAOYSA-N 0 0 348.265 2.999 10 5 EFBERN COC1([C@H](C)NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000817508496 1288644997 /nfs/dbraw/zinc/64/49/97/1288644997.db2.gz RNUZCDOEEFUJIB-FNDVETGQSA-N 0 0 348.399 2.698 10 5 EFBERN COc1cc2c(cc1O)CCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC001178024209 1288645827 /nfs/dbraw/zinc/64/58/27/1288645827.db2.gz LCPZCBMGZLCNOW-UHFFFAOYSA-N 0 0 328.324 2.508 10 5 EFBERN CC(=O)Nc1cccc(OC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001135962760 1288687609 /nfs/dbraw/zinc/68/76/09/1288687609.db2.gz FUMDCDCGLMYTQE-UHFFFAOYSA-N 0 0 332.287 2.840 10 5 EFBERN Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000821433787 1288714717 /nfs/dbraw/zinc/71/47/17/1288714717.db2.gz HIUKLVKUYQTSFL-AYSSICMYSA-N 0 0 348.355 2.509 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCn1cnc2ccccc21 ZINC001136444959 1288715361 /nfs/dbraw/zinc/71/53/61/1288715361.db2.gz CRQWUGBLMXFQOA-UHFFFAOYSA-N 0 0 338.367 2.991 10 5 EFBERN CC(C)(C)n1cccc(C(=O)OCCc2ccccc2[N+](=O)[O-])c1=O ZINC000870243590 1305221459 /nfs/dbraw/zinc/22/14/59/1305221459.db2.gz UVNGSFVNHHDUGO-UHFFFAOYSA-N 0 0 344.367 2.911 10 5 EFBERN Cc1nc(C)c(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001178441844 1288771046 /nfs/dbraw/zinc/77/10/46/1288771046.db2.gz XPOWAJGRRIUAKH-SNVBAGLBSA-N 0 0 334.401 2.732 10 5 EFBERN CC(C)Oc1cncc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001277648087 1312675889 /nfs/dbraw/zinc/67/58/89/1312675889.db2.gz DRKAKEOJUGFKHZ-KGLIPLIRSA-N 0 0 342.355 2.914 10 5 EFBERN Cc1ccc(NCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)nc1 ZINC001178609262 1288836997 /nfs/dbraw/zinc/83/69/97/1288836997.db2.gz IWTQFNHVMZYFTP-UHFFFAOYSA-N 0 0 332.335 2.588 10 5 EFBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001165785163 1312680935 /nfs/dbraw/zinc/68/09/35/1312680935.db2.gz LKIWDPPYSBLOOZ-HOTGVXAUSA-N 0 0 330.315 2.741 10 5 EFBERN CC(C)c1nnc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[nH]1 ZINC001136555381 1288907516 /nfs/dbraw/zinc/90/75/16/1288907516.db2.gz NKLKETRLTOWPOM-UHFFFAOYSA-N 0 0 340.343 2.824 10 5 EFBERN CN(CCc1ncon1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001178829115 1288932712 /nfs/dbraw/zinc/93/27/12/1288932712.db2.gz RZHZXSPTKMZIDO-UHFFFAOYSA-N 0 0 345.142 2.599 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](c2cnccn2)C1 ZINC001178841315 1288939032 /nfs/dbraw/zinc/93/90/32/1288939032.db2.gz OIKJHHQERJNHAL-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN Cc1cc(NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)ccc1[N+](=O)[O-] ZINC000822396967 1288973510 /nfs/dbraw/zinc/97/35/10/1288973510.db2.gz QBEQBFLCVKEPHY-OCCSQVGLSA-N 0 0 341.314 2.839 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)(C)C ZINC001178984613 1289012103 /nfs/dbraw/zinc/01/21/03/1289012103.db2.gz CNQIBFMQRQKASO-CYBMUJFWSA-N 0 0 347.371 2.784 10 5 EFBERN COc1ccccc1-c1nc(Cn2cc([N+](=O)[O-])c(C)cc2=O)co1 ZINC001165832262 1312689403 /nfs/dbraw/zinc/68/94/03/1312689403.db2.gz JCADIBRLMMGGMI-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1Cc2cccnc2C1 ZINC000823007457 1289183082 /nfs/dbraw/zinc/18/30/82/1289183082.db2.gz YWAOICCGQLRQAQ-SNVBAGLBSA-N 0 0 346.774 2.986 10 5 EFBERN CC(C)(CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000823074547 1289203569 /nfs/dbraw/zinc/20/35/69/1289203569.db2.gz ANCDHXFFDFNEAH-CYBMUJFWSA-N 0 0 334.372 2.914 10 5 EFBERN CSc1ccc(O)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001136669343 1289205870 /nfs/dbraw/zinc/20/58/70/1289205870.db2.gz ZSMYPETVBVNGOY-UHFFFAOYSA-N 0 0 348.380 2.831 10 5 EFBERN CO/C(=C\c1ccccc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668774 1289206227 /nfs/dbraw/zinc/20/62/27/1289206227.db2.gz BFJBJFBYNWHNGR-LGMDPLHJSA-N 0 0 342.351 2.777 10 5 EFBERN Nc1ccc(C(=O)Nc2cc(F)c(O)cc2Cl)cc1[N+](=O)[O-] ZINC001179655127 1289208099 /nfs/dbraw/zinc/20/80/99/1289208099.db2.gz DOJWGFUNACZIDM-UHFFFAOYSA-N 0 0 325.683 2.927 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cc(Cl)ccn1 ZINC001165856645 1312692756 /nfs/dbraw/zinc/69/27/56/1312692756.db2.gz NRLPBCLBONLCEN-UHFFFAOYSA-N 0 0 332.703 2.508 10 5 EFBERN O=C(NCC1CCC(O)CC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823252834 1289249868 /nfs/dbraw/zinc/24/98/68/1289249868.db2.gz HCOYWLLQQIFRSY-UHFFFAOYSA-N 0 0 327.768 2.921 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1C[C@H](O)C12CCC2 ZINC000823252739 1289250358 /nfs/dbraw/zinc/25/03/58/1289250358.db2.gz FTCJOSALAZMHPL-QWRGUYRKSA-N 0 0 325.752 2.673 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)C1O ZINC000823254524 1289250831 /nfs/dbraw/zinc/25/08/31/1289250831.db2.gz XTHVRSDRSDJHLT-RKDXNWHRSA-N 0 0 327.768 2.729 10 5 EFBERN Cc1ccc(NC(=O)c2cn3c(n2)CC[C@H](C)C3)c(N)c1[N+](=O)[O-] ZINC001179879384 1289303691 /nfs/dbraw/zinc/30/36/91/1289303691.db2.gz LQGSZCMABPPYQE-VIFPVBQESA-N 0 0 329.360 2.517 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000823464998 1289306324 /nfs/dbraw/zinc/30/63/24/1289306324.db2.gz BHPLWBFLBFUIHT-UHFFFAOYSA-N 0 0 344.371 2.559 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](C(F)(F)F)CC1 ZINC000872750110 1289358763 /nfs/dbraw/zinc/35/87/63/1289358763.db2.gz OFBLKZNZFNZUAX-CYBMUJFWSA-N 0 0 332.278 2.955 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](C(F)(F)F)CC1 ZINC000872750111 1289359032 /nfs/dbraw/zinc/35/90/32/1289359032.db2.gz OFBLKZNZFNZUAX-ZDUSSCGKSA-N 0 0 332.278 2.955 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC/C=C/Cl ZINC001180077789 1289408747 /nfs/dbraw/zinc/40/87/47/1289408747.db2.gz BAIJLQYRTZAOJB-NSCUHMNNSA-N 0 0 332.143 2.689 10 5 EFBERN Cc1ccccc1[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1CC1 ZINC001136763555 1289413823 /nfs/dbraw/zinc/41/38/23/1289413823.db2.gz XPRUULUXSNSAKS-OAHLLOKOSA-N 0 0 326.356 2.762 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCSc1ccc([N+](=O)[O-])cc1F ZINC001165952381 1312709935 /nfs/dbraw/zinc/70/99/35/1312709935.db2.gz KZEBSYCIADUXJY-UHFFFAOYSA-N 0 0 326.309 2.939 10 5 EFBERN CC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000872919557 1289465139 /nfs/dbraw/zinc/46/51/39/1289465139.db2.gz HNIIPPAJCXWGNL-LBPRGKRZSA-N 0 0 333.388 2.975 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cnsn3)cc2[N+](=O)[O-])C1 ZINC000823873996 1289482510 /nfs/dbraw/zinc/48/25/10/1289482510.db2.gz OQWHCKUPUBRIPR-SNVBAGLBSA-N 0 0 347.400 2.935 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823961469 1289491029 /nfs/dbraw/zinc/49/10/29/1289491029.db2.gz FFXCXVMOBAIRBW-ZDUSSCGKSA-N 0 0 336.392 2.990 10 5 EFBERN Nc1ccc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000823921094 1289493197 /nfs/dbraw/zinc/49/31/97/1289493197.db2.gz NSMIVLQBEOJBMJ-LSDHHAIUSA-N 0 0 334.376 2.646 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823920729 1289493219 /nfs/dbraw/zinc/49/32/19/1289493219.db2.gz APWOVPSTLZWOOH-NSHDSACASA-N 0 0 334.376 2.742 10 5 EFBERN CC(C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000823933535 1289494896 /nfs/dbraw/zinc/49/48/96/1289494896.db2.gz SLNMVWBYGNZQFN-XHDPSFHLSA-N 0 0 336.392 2.750 10 5 EFBERN Nc1ccc(NC(=O)N2CCC(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000823973471 1289503559 /nfs/dbraw/zinc/50/35/59/1289503559.db2.gz IOOQKHUQRXAEEY-UHFFFAOYSA-N 0 0 341.371 2.984 10 5 EFBERN Nc1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000823972903 1289503604 /nfs/dbraw/zinc/50/36/04/1289503604.db2.gz BCKWBUSOFUFHKZ-UHFFFAOYSA-N 0 0 344.375 2.810 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NOCC1CCC1 ZINC000824098534 1289529829 /nfs/dbraw/zinc/52/98/29/1289529829.db2.gz HYRHUJHZUBOXSM-UHFFFAOYSA-N 0 0 332.360 2.650 10 5 EFBERN Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825655174 1289545036 /nfs/dbraw/zinc/54/50/36/1289545036.db2.gz KQVUEYSSKWTISK-UHFFFAOYSA-N 0 0 337.426 2.816 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCC(n3cccn3)CC1)CCCC2 ZINC000825660254 1289572598 /nfs/dbraw/zinc/57/25/98/1289572598.db2.gz IORSXMWRVPFKKA-UHFFFAOYSA-N 0 0 327.388 2.907 10 5 EFBERN CSCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001136865126 1289625329 /nfs/dbraw/zinc/62/53/29/1289625329.db2.gz FJUHPUQCHITZMV-SNVBAGLBSA-N 0 0 344.458 2.551 10 5 EFBERN CCc1ccc(C(=O)Nc2c3n[nH]nc3ccc2C)cc1[N+](=O)[O-] ZINC001180765615 1289626199 /nfs/dbraw/zinc/62/61/99/1289626199.db2.gz WSTGLSLAHMETIA-UHFFFAOYSA-N 0 0 325.328 2.989 10 5 EFBERN Cc1ccc(F)cc1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001166038327 1312721931 /nfs/dbraw/zinc/72/19/31/1312721931.db2.gz FVPWVXWTYRARAB-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN Cc1cc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(N(C)C)nn1 ZINC000824522493 1289681633 /nfs/dbraw/zinc/68/16/33/1289681633.db2.gz PPQDNXHBXIBKJB-NSHDSACASA-N 0 0 344.375 2.642 10 5 EFBERN Cc1cc(C(=O)NCC(=O)NCCCCC(C)C)ccc1[N+](=O)[O-] ZINC001136898255 1289703517 /nfs/dbraw/zinc/70/35/17/1289703517.db2.gz BEJUXLPVFMWGSZ-UHFFFAOYSA-N 0 0 335.404 2.576 10 5 EFBERN COC(=O)c1cc(F)cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001136912962 1289737611 /nfs/dbraw/zinc/73/76/11/1289737611.db2.gz WHULSEDTCBCGDJ-UHFFFAOYSA-N 0 0 344.298 2.723 10 5 EFBERN CN(CC(=O)C(C)(C)C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001181379103 1289779728 /nfs/dbraw/zinc/77/97/28/1289779728.db2.gz NKAKWSNLJCNSGZ-UHFFFAOYSA-N 0 0 335.404 2.861 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000795527519 1289854948 /nfs/dbraw/zinc/85/49/48/1289854948.db2.gz NKPBRFZRMZGXRL-CQSZACIVSA-N 0 0 325.320 2.969 10 5 EFBERN CO[C@]12CCC[C@@]1(C(=O)OCc1ccc([N+](=O)[O-])c(C)c1)CCO2 ZINC000873516803 1289888754 /nfs/dbraw/zinc/88/87/54/1289888754.db2.gz SUHJTWYIMDUHFH-IRXDYDNUSA-N 0 0 335.356 2.880 10 5 EFBERN CC(C)[C@H](CO)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001181707547 1289908212 /nfs/dbraw/zinc/90/82/12/1289908212.db2.gz LPZYVSHBMQIBRS-HNNXBMFYSA-N 0 0 349.431 2.578 10 5 EFBERN Cn1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(C(F)F)n1 ZINC001181724470 1289916907 /nfs/dbraw/zinc/91/69/07/1289916907.db2.gz DJJVQZFTUBCDFP-UHFFFAOYSA-N 0 0 335.270 3.000 10 5 EFBERN CC(C)(C)[C@@H]1C[C@@H](OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000873569067 1289932368 /nfs/dbraw/zinc/93/23/68/1289932368.db2.gz BGLUMEDLMOVEIL-STQMWFEESA-N 0 0 339.392 2.663 10 5 EFBERN O=C(O[C@@H]1CCOC2(CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000873581860 1289942216 /nfs/dbraw/zinc/94/22/16/1289942216.db2.gz XFWBREZXZJIVTQ-LLVKDONJSA-N 0 0 349.339 2.972 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCCCNC1=O ZINC000873613225 1289967799 /nfs/dbraw/zinc/96/77/99/1289967799.db2.gz YSVYDEOOTPXHSE-HUUCEWRRSA-N 0 0 348.399 2.623 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001181876442 1289987126 /nfs/dbraw/zinc/98/71/26/1289987126.db2.gz FKMCNOOJYWAUGR-SECBINFHSA-N 0 0 330.768 2.766 10 5 EFBERN C[C@@H](C(=O)Nc1cccc(Cl)c1)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001166239526 1312751385 /nfs/dbraw/zinc/75/13/85/1312751385.db2.gz CSEOEXRATLSKBT-ZETCQYMHSA-N 0 0 339.695 2.553 10 5 EFBERN COC(=O)N1CCC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000825693006 1290041495 /nfs/dbraw/zinc/04/14/95/1290041495.db2.gz PHRQTBJDUBBSMH-GFCCVEGCSA-N 0 0 334.376 2.511 10 5 EFBERN COc1cc(OCC(=O)O[C@H](C)[C@@H](C)SC)ccc1[N+](=O)[O-] ZINC000797207861 1290300397 /nfs/dbraw/zinc/30/03/97/1290300397.db2.gz CCGQXDBEFITUMZ-NXEZZACHSA-N 0 0 329.374 2.665 10 5 EFBERN COc1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC001166428676 1312775557 /nfs/dbraw/zinc/77/55/57/1312775557.db2.gz UPZJCQAMGGUJJM-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN CO[C@]12CCC[C@@]1(C(=O)N1CCc3cc(C)c([N+](=O)[O-])cc31)CCO2 ZINC000875525566 1290557572 /nfs/dbraw/zinc/55/75/72/1290557572.db2.gz IFJUJFZTUPCKTR-ROUUACIJSA-N 0 0 346.383 2.726 10 5 EFBERN NC(=O)c1cc(NCc2ncc(-c3ccccc3)o2)ccc1[N+](=O)[O-] ZINC001185290493 1290639197 /nfs/dbraw/zinc/63/91/97/1290639197.db2.gz HYELGBVISDNIRG-UHFFFAOYSA-N 0 0 338.323 2.961 10 5 EFBERN CCCCc1noc([C@@H](C)OC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])n1 ZINC000795616001 1290663363 /nfs/dbraw/zinc/66/33/63/1290663363.db2.gz KHJDSIKMNQHRPF-MRVPVSSYSA-N 0 0 337.336 2.524 10 5 EFBERN COc1cc(Oc2cccc(-n3cncn3)c2)c([N+](=O)[O-])cc1OC ZINC001185479902 1290687623 /nfs/dbraw/zinc/68/76/23/1290687623.db2.gz YUIAHIPLXYJJRL-UHFFFAOYSA-N 0 0 342.311 2.985 10 5 EFBERN O=C(CCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])NC1CC1 ZINC001185585097 1290720079 /nfs/dbraw/zinc/72/00/79/1290720079.db2.gz VYKWHJOVLLRGCT-UHFFFAOYSA-N 0 0 348.790 2.689 10 5 EFBERN O=[N+]([O-])c1cnccc1NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC001185620135 1290732956 /nfs/dbraw/zinc/73/29/56/1290732956.db2.gz DHJIGJDMLAXLKV-OAHLLOKOSA-N 0 0 343.774 2.963 10 5 EFBERN CCNC(=O)NCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001137098818 1290765015 /nfs/dbraw/zinc/76/50/15/1290765015.db2.gz OKEKLKXTQBNCRV-UHFFFAOYSA-N 0 0 342.355 2.666 10 5 EFBERN Cc1cc(C[C@H](C)Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])n[nH]1 ZINC001185793817 1290765448 /nfs/dbraw/zinc/76/54/48/1290765448.db2.gz UJHIULHVAOYQLB-JTQLQIEISA-N 0 0 341.371 2.521 10 5 EFBERN C[C@@H]1CC(Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001186010024 1290809487 /nfs/dbraw/zinc/80/94/87/1290809487.db2.gz MKLUGEMCKPLKJR-NXEZZACHSA-N 0 0 346.343 2.841 10 5 EFBERN O=C1CCN1c1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001186275610 1290921611 /nfs/dbraw/zinc/92/16/11/1290921611.db2.gz OXVXXWHQTHLXDJ-UHFFFAOYSA-N 0 0 331.303 2.707 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001186492500 1290964631 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10 5 EFBERN CN1C(=O)Cc2cc(CNc3c4ccccc4ncc3[N+](=O)[O-])ccc21 ZINC001187889844 1291264273 /nfs/dbraw/zinc/26/42/73/1291264273.db2.gz YOFUXUPJBHTHSI-UHFFFAOYSA-N 0 0 348.362 2.696 10 5 EFBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc2ncccc12 ZINC001187986683 1291279052 /nfs/dbraw/zinc/27/90/52/1291279052.db2.gz CTWAQSZKIDCLIU-UHFFFAOYSA-N 0 0 332.319 2.901 10 5 EFBERN Cc1ccc(F)c(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1F ZINC001187986891 1291279391 /nfs/dbraw/zinc/27/93/91/1291279391.db2.gz IERXHWJDLQORHA-UHFFFAOYSA-N 0 0 332.262 2.978 10 5 EFBERN COc1cccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1C ZINC001187986632 1291279978 /nfs/dbraw/zinc/27/99/78/1291279978.db2.gz ARBKRFHDEBYYMN-UHFFFAOYSA-N 0 0 325.324 2.670 10 5 EFBERN Cc1nn(CN2CCOC[C@@H]2CC(F)F)c2ccc([N+](=O)[O-])cc12 ZINC000795729813 1291342507 /nfs/dbraw/zinc/34/25/07/1291342507.db2.gz KRIILHALMPFEEL-LBPRGKRZSA-N 0 0 340.330 2.566 10 5 EFBERN CCOc1ccc(C(=O)OCCc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000126806780 1291430092 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Cn1ncc(OCC(=O)c2ccc([N+](=O)[O-])cc2F)c1C(F)(F)F ZINC001189379049 1291690562 /nfs/dbraw/zinc/69/05/62/1291690562.db2.gz CMPHMTHXAIOFNQ-UHFFFAOYSA-N 0 0 347.224 2.748 10 5 EFBERN O=C(COc1ccsc1[N+](=O)[O-])NCCCOC1CCCCC1 ZINC001189369017 1291709042 /nfs/dbraw/zinc/70/90/42/1291709042.db2.gz BOGZNLRDVBDKNR-UHFFFAOYSA-N 0 0 342.417 2.891 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000803613617 1312878911 /nfs/dbraw/zinc/87/89/11/1312878911.db2.gz GWUZXSMOWRYDLG-HNNXBMFYSA-N 0 0 329.356 2.959 10 5 EFBERN O=C(NCc1ccns1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001167017455 1312882753 /nfs/dbraw/zinc/88/27/53/1312882753.db2.gz VYDJHCDSTYMJCZ-UHFFFAOYSA-N 0 0 329.284 2.583 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1Nc1ccc(C3(O)COC3)cc1)CCCC2 ZINC000826080351 1291839677 /nfs/dbraw/zinc/83/96/77/1291839677.db2.gz VWHRPVWYEGMDMO-UHFFFAOYSA-N 0 0 341.367 2.830 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CC(O)(c3ccccc3)C1)CCCC2 ZINC000826079343 1291867128 /nfs/dbraw/zinc/86/71/28/1291867128.db2.gz DOXUIQZTZUQKJQ-UHFFFAOYSA-N 0 0 325.368 2.576 10 5 EFBERN O=C(COC(=O)CCC(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796020798 1291874874 /nfs/dbraw/zinc/87/48/74/1291874874.db2.gz IAIZSEQFZSKSPT-UHFFFAOYSA-N 0 0 336.678 2.775 10 5 EFBERN CCOc1cc(COC(=O)c2cn(C(C)C)nn2)ccc1[N+](=O)[O-] ZINC000796019140 1291875226 /nfs/dbraw/zinc/87/52/26/1291875226.db2.gz ZORFSTLNPDWTQS-UHFFFAOYSA-N 0 0 334.332 2.523 10 5 EFBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[C@H]32)c1 ZINC000796031515 1291889375 /nfs/dbraw/zinc/88/93/75/1291889375.db2.gz FYBMNZCFEZWZQZ-VHSXEESVSA-N 0 0 330.793 2.730 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cn(C(C)C)nn1 ZINC000796029960 1291889412 /nfs/dbraw/zinc/88/94/12/1291889412.db2.gz RAXQMSPTTKHGMX-UHFFFAOYSA-N 0 0 348.359 2.911 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2cc(Br)cs2)c1=O ZINC001189868811 1291897601 /nfs/dbraw/zinc/89/76/01/1291897601.db2.gz DELOXMQBROITMP-UHFFFAOYSA-N 0 0 345.174 2.637 10 5 EFBERN COc1ccc(S(=O)(=O)Oc2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 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OYVZWZCHVLCEAV-MYCNDKQDSA-N 0 0 346.383 2.798 10 5 EFBERN O=C(CSCc1ccncc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001190209278 1292068690 /nfs/dbraw/zinc/06/86/90/1292068690.db2.gz DJHBCARPFVPGDR-UHFFFAOYSA-N 0 0 347.352 2.590 10 5 EFBERN CC(C)(CCC(=O)N1CCCC[C@H]1c1noc(C2CC2)n1)[N+](=O)[O-] ZINC000826108634 1292112023 /nfs/dbraw/zinc/11/20/23/1292112023.db2.gz FONLJUVLHPBDFP-LBPRGKRZSA-N 0 0 336.392 2.836 10 5 EFBERN O=Cc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[nH]1 ZINC000803637366 1312914485 /nfs/dbraw/zinc/91/44/85/1312914485.db2.gz LJXJUXLMOXRSPR-UHFFFAOYSA-N 0 0 338.117 2.750 10 5 EFBERN CC(F)(F)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880154661 1292399167 /nfs/dbraw/zinc/39/91/67/1292399167.db2.gz ODZJHNMORQMPDL-UHFFFAOYSA-N 0 0 330.287 2.531 10 5 EFBERN CC(C)c1[nH]nc(C(=O)OCc2nc(C3CCCC3)no2)c1[N+](=O)[O-] ZINC000796259010 1292662300 /nfs/dbraw/zinc/66/23/00/1292662300.db2.gz YGFCYKDDCSVCTO-UHFFFAOYSA-N 0 0 349.347 2.839 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1[N+](=O)[O-] ZINC000888854617 1292702856 /nfs/dbraw/zinc/70/28/56/1292702856.db2.gz XAQZHMKRSTXDAS-RPERQONWSA-N 0 0 330.384 2.798 10 5 EFBERN C[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)N(C)CC(F)(F)F ZINC000796286711 1292759715 /nfs/dbraw/zinc/75/97/15/1292759715.db2.gz BLRHMWGREODPNL-SSDOTTSWSA-N 0 0 326.296 2.582 10 5 EFBERN COc1c(C(=O)OCCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000796306537 1292847440 /nfs/dbraw/zinc/84/74/40/1292847440.db2.gz SQSNARXAJBVEEW-UHFFFAOYSA-N 0 0 335.287 2.978 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2ccccc2O)CC1 ZINC000881737942 1292988026 /nfs/dbraw/zinc/98/80/26/1292988026.db2.gz HOPAUZHVDURXNK-UHFFFAOYSA-N 0 0 341.367 2.830 10 5 EFBERN O=C(C[C@H]1CCCO1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881861603 1293033317 /nfs/dbraw/zinc/03/33/17/1293033317.db2.gz CABRHIGCAZPTNL-LLVKDONJSA-N 0 0 343.177 2.543 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000882039592 1293084042 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EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@@H](C(F)(F)F)CC1 ZINC000882719077 1293295076 /nfs/dbraw/zinc/29/50/76/1293295076.db2.gz ZPLQRQAHVREMOW-GFCCVEGCSA-N 0 0 332.278 2.955 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000131110537 1293481371 /nfs/dbraw/zinc/48/13/71/1293481371.db2.gz JQBDYNDLDOXYEH-OAHLLOKOSA-N 0 0 348.330 2.596 10 5 EFBERN O=C(Nc1ccnn1-c1ccccn1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001273696051 1293884473 /nfs/dbraw/zinc/88/44/73/1293884473.db2.gz HEIXPUOPMQBLCM-LSDHHAIUSA-N 0 0 349.350 2.918 10 5 EFBERN CO[C@H]1CC[C@H](OC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000800029940 1293889293 /nfs/dbraw/zinc/88/92/93/1293889293.db2.gz UMGKVLVHNDTSLL-UWVGGRQHSA-N 0 0 331.271 2.921 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800090208 1293914202 /nfs/dbraw/zinc/91/42/02/1293914202.db2.gz AYPULRKKSOSADN-CQSZACIVSA-N 0 0 346.770 2.911 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC12CC2 ZINC001234024635 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332.278 2.549 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(O)(C2CCC2)CC1 ZINC000884974954 1294295409 /nfs/dbraw/zinc/29/54/09/1294295409.db2.gz FCCOCYULDHRGNK-DLBZAZTESA-N 0 0 344.411 2.852 10 5 EFBERN COCCNC(=S)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000797408433 1294330612 /nfs/dbraw/zinc/33/06/12/1294330612.db2.gz PCJQOXBUVYDXFH-UHFFFAOYSA-N 0 0 348.222 2.599 10 5 EFBERN COc1cc(CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC001234157949 1313070761 /nfs/dbraw/zinc/07/07/61/1313070761.db2.gz ONXZQXCAURFJCD-GFCCVEGCSA-N 0 0 344.371 2.601 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cn3c(n1)C[C@H](C)CC3)CC2 ZINC000867209917 1294401559 /nfs/dbraw/zinc/40/15/59/1294401559.db2.gz BHAALTNQKVFTTE-LLVKDONJSA-N 0 0 340.383 2.885 10 5 EFBERN O=c1[nH]c(C=Cc2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc12 ZINC000096792158 1294560027 /nfs/dbraw/zinc/56/00/27/1294560027.db2.gz INOIMTNBJJRTSO-WAYWQWQTSA-N 0 0 337.291 2.730 10 5 EFBERN O=C(NC[C@]12C[C@H]1CCC2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 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347.415 2.875 10 5 EFBERN O=C(NC1([C@H]2CCCCO2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000887086915 1295273820 /nfs/dbraw/zinc/27/38/20/1295273820.db2.gz GNZHXTBJVWGQJE-ARFHVFGLSA-N 0 0 330.384 2.916 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@]12C[C@H]1COC21CCC1 ZINC000887138206 1295290729 /nfs/dbraw/zinc/29/07/29/1295290729.db2.gz MDBSXUQNVPLUQP-MEDUHNTESA-N 0 0 334.397 2.515 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC001234583403 1313162387 /nfs/dbraw/zinc/16/23/87/1313162387.db2.gz WNZQBKMIFCOHGA-INIZCTEOSA-N 0 0 349.431 2.891 10 5 EFBERN Cc1ccc(CNC(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC001234582379 1313162572 /nfs/dbraw/zinc/16/25/72/1313162572.db2.gz NCJIUGNLOXXJEJ-UHFFFAOYSA-N 0 0 344.371 2.980 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1COC(=O)c1cn2ccnc2s1 ZINC000797477200 1296040130 /nfs/dbraw/zinc/04/01/30/1296040130.db2.gz GTSRQJBOIRRWGL-UHFFFAOYSA-N 0 0 333.325 2.670 10 5 EFBERN O=C(COC(=O)c1cnc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000803826872 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EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000853962385 1300364775 /nfs/dbraw/zinc/36/47/75/1300364775.db2.gz DHIVPSPSTLCXKS-CYBMUJFWSA-N 0 0 333.388 2.538 10 5 EFBERN CCOC(=O)C12CC(C1)CN2c1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000853965678 1300366302 /nfs/dbraw/zinc/36/63/02/1300366302.db2.gz VJAIYVINJRPXDZ-UHFFFAOYSA-N 0 0 332.356 2.719 10 5 EFBERN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000853965800 1300367350 /nfs/dbraw/zinc/36/73/50/1300367350.db2.gz LOXWHRHGYTYLKW-LLVKDONJSA-N 0 0 339.348 2.531 10 5 EFBERN CC1(C)OCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853965874 1300368429 /nfs/dbraw/zinc/36/84/29/1300368429.db2.gz NBJADBZGYDECIR-LLVKDONJSA-N 0 0 335.360 2.778 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCC2(CC(N)=O)CCCCC2)c1 ZINC000853971592 1300369420 /nfs/dbraw/zinc/36/94/20/1300369420.db2.gz GGNLLOJJYDYQCM-UHFFFAOYSA-N 0 0 339.367 2.980 10 5 EFBERN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000853979792 1300372684 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10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(C(C)(C)n2cc(N)cn2)n1 ZINC000854139611 1300445080 /nfs/dbraw/zinc/44/50/80/1300445080.db2.gz YJNXCOZWVMUARJ-UHFFFAOYSA-N 0 0 328.332 2.515 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])C1CC2(CC2(F)F)C1 ZINC000854276210 1300500960 /nfs/dbraw/zinc/50/09/60/1300500960.db2.gz KVZLVEXPOXSXDL-UHFFFAOYSA-N 0 0 325.315 2.558 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@]3(C2)CCCOC3)c1F ZINC000854397213 1300548570 /nfs/dbraw/zinc/54/85/70/1300548570.db2.gz PXSHHFOTIIHPNH-INIZCTEOSA-N 0 0 340.326 2.824 10 5 EFBERN CC[C@@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000795277830 1300587616 /nfs/dbraw/zinc/58/76/16/1300587616.db2.gz PTZFYVYCRYEDIS-RHSMWYFYSA-N 0 0 334.372 2.572 10 5 EFBERN CCCOc1nc(C)ccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854495707 1300592454 /nfs/dbraw/zinc/59/24/54/1300592454.db2.gz RCAWZUIMCMLURA-UHFFFAOYSA-N 0 0 330.344 2.922 10 5 EFBERN CN(C)c1cc(F)c(C(=O)N2CC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000854520470 1300607192 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2.823 10 5 EFBERN Cc1c(C(=O)NC[C@@H](C)c2ccccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855177592 1300822894 /nfs/dbraw/zinc/82/28/94/1300822894.db2.gz RVOJDBOQGPCRMT-SNVBAGLBSA-N 0 0 344.327 2.740 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)[C@@H]1Cc2ccccc21 ZINC000795363839 1300847645 /nfs/dbraw/zinc/84/76/45/1300847645.db2.gz IAQQJQGETLYTOZ-CQSZACIVSA-N 0 0 341.319 2.669 10 5 EFBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855277387 1300881135 /nfs/dbraw/zinc/88/11/35/1300881135.db2.gz ABSKZAIXFBTNTC-PXAZEXFGSA-N 0 0 346.358 2.823 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000855282581 1300883983 /nfs/dbraw/zinc/88/39/83/1300883983.db2.gz ZBJYIDAWUGZLDD-JTQLQIEISA-N 0 0 328.315 2.808 10 5 EFBERN COC[C@H](NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000855291094 1300895660 /nfs/dbraw/zinc/89/56/60/1300895660.db2.gz KMFGDFPFFVFTGL-HVJHFUJKSA-N 0 0 348.399 2.556 10 5 EFBERN O=[N+]([O-])c1ccc(Br)cc1N1CCO[C@H](C2CC2)C1 ZINC000776815016 1300972133 /nfs/dbraw/zinc/97/21/33/1300972133.db2.gz IRBXUYDCFFBCBK-ZDUSSCGKSA-N 0 0 327.178 2.973 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C3CC3)C2)c(Br)c1 ZINC000776816541 1301015320 /nfs/dbraw/zinc/01/53/20/1301015320.db2.gz UBSUIDDZKLDXLT-ZDUSSCGKSA-N 0 0 327.178 2.973 10 5 EFBERN C/C(=C\C(=O)N1CCC[C@](O)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000855696109 1301061937 /nfs/dbraw/zinc/06/19/37/1301061937.db2.gz OEFLXWKJWLNHOK-IYPOZPNPSA-N 0 0 330.384 2.762 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@](O)(C3CC3)C2)c1F ZINC000855697706 1301062893 /nfs/dbraw/zinc/06/28/93/1301062893.db2.gz WGBORFSYQYDZTH-MRXNPFEDSA-N 0 0 340.326 2.559 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000855715268 1301072617 /nfs/dbraw/zinc/07/26/17/1301072617.db2.gz LMXDHMFVZHWUAK-RDJZCZTQSA-N 0 0 341.367 2.569 10 5 EFBERN COc1cc(C(=O)N[C@@H]2C[C@@H](O)c3ccccc32)cc([N+](=O)[O-])c1C ZINC000855728338 1301081716 /nfs/dbraw/zinc/08/17/16/1301081716.db2.gz 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CC[C@@H]1CCc2nc(NC(=O)Cn3c(C)ncc3[N+](=O)[O-])sc2C1 ZINC000776840405 1301147290 /nfs/dbraw/zinc/14/72/90/1301147290.db2.gz CYZSQXWHFHGQQD-SNVBAGLBSA-N 0 0 349.416 2.710 10 5 EFBERN CC(C)Nc1cc(Br)ccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855862253 1301148028 /nfs/dbraw/zinc/14/80/28/1301148028.db2.gz VFBCMDNAYMNRNE-BXKDBHETSA-N 0 0 342.193 2.873 10 5 EFBERN Cc1ccc(CC2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000855862879 1301148098 /nfs/dbraw/zinc/14/80/98/1301148098.db2.gz LBQWKPLRLDJUEU-SFHVURJKSA-N 0 0 340.379 2.638 10 5 EFBERN C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000855930371 1301177659 /nfs/dbraw/zinc/17/76/59/1301177659.db2.gz ILSNWCVLPKETLS-ZJUUUORDSA-N 0 0 344.770 2.956 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H](C)O[C@@H](C)C2)c1F ZINC000855931788 1301179184 /nfs/dbraw/zinc/17/91/84/1301179184.db2.gz YWMXUVHYHSPART-ZJUUUORDSA-N 0 0 328.315 2.821 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855969849 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341.414 2.708 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccns2)c(C)cc1[N+](=O)[O-] ZINC000859400831 1301455673 /nfs/dbraw/zinc/45/56/73/1301455673.db2.gz PTNFAWKKEWZYIH-JTQLQIEISA-N 0 0 341.414 2.708 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CCCC12CC2 ZINC000859422880 1301458968 /nfs/dbraw/zinc/45/89/68/1301458968.db2.gz CMJNEPWMDNHNTA-SNVBAGLBSA-N 0 0 328.365 2.593 10 5 EFBERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859478353 1301473145 /nfs/dbraw/zinc/47/31/45/1301473145.db2.gz DZLDYQIFFFGEES-BWJFDKCMSA-N 0 0 346.408 2.730 10 5 EFBERN CSC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859506899 1301480452 /nfs/dbraw/zinc/48/04/52/1301480452.db2.gz CUUUJTDDCZGRPU-MRXNPFEDSA-N 0 0 334.397 2.592 10 5 EFBERN CC(C)n1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000859558341 1301490508 /nfs/dbraw/zinc/49/05/08/1301490508.db2.gz HOFRBFCCYMVTBL-UHFFFAOYSA-N 0 0 335.291 2.551 10 5 EFBERN COCCC[C@@H](C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F 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Cc1ccccc1CN1CCO[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000866140656 1303540810 /nfs/dbraw/zinc/54/08/10/1303540810.db2.gz KZUWMLOOJJOZHY-QGZVFWFLSA-N 0 0 342.399 2.611 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](OC3CCC3)CC2)n1 ZINC000866147187 1303541675 /nfs/dbraw/zinc/54/16/75/1303541675.db2.gz SIVJVIDUAFZHAF-ZDUSSCGKSA-N 0 0 349.387 2.704 10 5 EFBERN C[C@]1(C(F)(F)F)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000866157716 1303544282 /nfs/dbraw/zinc/54/42/82/1303544282.db2.gz GNINOUXMUUASQY-GFCCVEGCSA-N 0 0 330.266 2.629 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000866157088 1303544364 /nfs/dbraw/zinc/54/43/64/1303544364.db2.gz FGGKJVPWEKZVNF-CQSZACIVSA-N 0 0 325.372 2.682 10 5 EFBERN Cc1cc(N2Cc3cccnc3N3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000866157046 1303544647 /nfs/dbraw/zinc/54/46/47/1303544647.db2.gz CBDJHXOSAQLRQR-CQSZACIVSA-N 0 0 325.372 2.682 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000866157033 1303544694 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EFBERN COc1cc(NC[C@H]2CC3(CO2)CCOCC3)c([N+](=O)[O-])cc1F ZINC000866177044 1303552537 /nfs/dbraw/zinc/55/25/37/1303552537.db2.gz VCCAHJMHPCKYGS-LLVKDONJSA-N 0 0 340.351 2.740 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC(=O)c2ccccc2O1 ZINC000866189785 1303555968 /nfs/dbraw/zinc/55/59/68/1303555968.db2.gz RPKHGIKHISOIFX-LLVKDONJSA-N 0 0 330.344 2.566 10 5 EFBERN COC(=O)c1cc(N2CC[C@@H]3CSC[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000866203616 1303561618 /nfs/dbraw/zinc/56/16/18/1303561618.db2.gz OVXHGQRBVWZGLZ-NEPJUHHUSA-N 0 0 336.413 2.879 10 5 EFBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CSC[C@H]2C1 ZINC000866203122 1303562065 /nfs/dbraw/zinc/56/20/65/1303562065.db2.gz HLKYPEAJUSHWOY-NWDGAFQWSA-N 0 0 349.412 2.741 10 5 EFBERN COc1ccccc1[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CCO1 ZINC000866232598 1303573863 /nfs/dbraw/zinc/57/38/63/1303573863.db2.gz HKCBDTJRMTVNAN-MRXNPFEDSA-N 0 0 329.356 2.885 10 5 EFBERN CCON(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000866307411 1303596680 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ZINC000868607894 1304379268 /nfs/dbraw/zinc/37/92/68/1304379268.db2.gz DWWSFWINQTWKFV-ZRMMWKCHSA-N 0 0 334.372 2.524 10 5 EFBERN CC[C@H](COCC1CC1)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868764157 1304462278 /nfs/dbraw/zinc/46/22/78/1304462278.db2.gz WZKQKWHEOAOPRR-OAHLLOKOSA-N 0 0 335.404 2.908 10 5 EFBERN CCOC(CN(CC)C(=O)c1cc([N+](=O)[O-])c(C)s1)OCC ZINC000868770260 1304464857 /nfs/dbraw/zinc/46/48/57/1304464857.db2.gz UDHZFSHMBFUHOR-UHFFFAOYSA-N 0 0 330.406 2.826 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000868783920 1304474085 /nfs/dbraw/zinc/47/40/85/1304474085.db2.gz LDNTVBVDCSEDFV-GFCCVEGCSA-N 0 0 327.331 2.994 10 5 EFBERN Cc1ccc(CNC(=O)N2CCC[C@@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000869053368 1304591778 /nfs/dbraw/zinc/59/17/78/1304591778.db2.gz LFMXUNCDOAFQRY-GFCCVEGCSA-N 0 0 343.330 2.816 10 5 EFBERN Cc1ccc(CNC(=O)N(C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000869053627 1304591843 /nfs/dbraw/zinc/59/18/43/1304591843.db2.gz PKKGEQWAZFLXOM-UHFFFAOYSA-N 0 0 335.404 2.861 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000869055351 1304592552 /nfs/dbraw/zinc/59/25/52/1304592552.db2.gz RUPANMAZZMXNAA-INIZCTEOSA-N 0 0 341.367 2.974 10 5 EFBERN Cc1ccc(CNC(=O)N2CCc3c(O)cccc3C2)cc1[N+](=O)[O-] ZINC000869054159 1304592797 /nfs/dbraw/zinc/59/27/97/1304592797.db2.gz HXJJWHJYFIXPSR-UHFFFAOYSA-N 0 0 341.367 2.877 10 5 EFBERN CO[C@@H]1C[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000869054294 1304592857 /nfs/dbraw/zinc/59/28/57/1304592857.db2.gz IXYKAAVPRQGKLB-HUUCEWRRSA-N 0 0 333.388 2.660 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N2CCOCC2)cc1 ZINC000795058533 1304638273 /nfs/dbraw/zinc/63/82/73/1304638273.db2.gz WGCHMYWOZJLJHR-UHFFFAOYSA-N 0 0 331.376 2.700 10 5 EFBERN CCC(C)(C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000849424774 1335612442 /nfs/dbraw/zinc/61/24/42/1335612442.db2.gz AHDXCKPHYHTVAZ-JTQLQIEISA-N 0 0 330.406 2.706 10 5 EFBERN COC[C@@H](CC(C)(C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869196086 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EFBERN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CCOCC1 ZINC000869797089 1304972450 /nfs/dbraw/zinc/97/24/50/1304972450.db2.gz GAIZKSQPPLKJQL-UONOGXRCSA-N 0 0 335.356 2.580 10 5 EFBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000869797560 1304973895 /nfs/dbraw/zinc/97/38/95/1304973895.db2.gz ZGIDWNNFESJJDD-JKSUJKDBSA-N 0 0 335.356 2.580 10 5 EFBERN CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811012 1304981950 /nfs/dbraw/zinc/98/19/50/1304981950.db2.gz MVPONTHISAKZOP-CHWSQXEVSA-N 0 0 348.399 2.863 10 5 EFBERN COC(C)(C)C(=O)COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810563 1304982028 /nfs/dbraw/zinc/98/20/28/1304982028.db2.gz JEJOBQTUFYHNAY-UHFFFAOYSA-N 0 0 335.356 2.554 10 5 EFBERN C[C@H](OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)NC(C)(C)C ZINC000869812486 1304982428 /nfs/dbraw/zinc/98/24/28/1304982428.db2.gz WKUCXVNZCZKMHT-LBPRGKRZSA-N 0 0 348.399 2.863 10 5 EFBERN O=C(OCCO[C@H]1CC1(F)F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 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330.252 2.925 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H](C)CC(F)F)cc([N+](=O)[O-])c1F ZINC000827881699 1316026657 /nfs/dbraw/zinc/02/66/57/1316026657.db2.gz JIUVUPINYXLELA-SSDOTTSWSA-N 0 0 340.323 2.612 10 5 EFBERN CCOc1ccc(-c2nnc([C@@H](C)OCCOC)o2)cc1[N+](=O)[O-] ZINC001258001829 1316108506 /nfs/dbraw/zinc/10/85/06/1316108506.db2.gz YGDBEQMBQWNDLG-SNVBAGLBSA-N 0 0 337.332 2.768 10 5 EFBERN O=C(Cc1cccs1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001258251766 1316134883 /nfs/dbraw/zinc/13/48/83/1316134883.db2.gz MIVPGTNFCIDEBO-UHFFFAOYSA-N 0 0 345.424 2.543 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2ccnn2c1 ZINC001279086207 1316135356 /nfs/dbraw/zinc/13/53/56/1316135356.db2.gz JHUXPAGZGUGGDZ-ZDUSSCGKSA-N 0 0 339.355 2.845 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2ccnn2c1 ZINC001279086206 1316135478 /nfs/dbraw/zinc/13/54/78/1316135478.db2.gz JHUXPAGZGUGGDZ-CYBMUJFWSA-N 0 0 339.355 2.845 10 5 EFBERN O=C(c1sccc1F)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001258292003 1316137847 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Cc1ccc([C@H](C)NC(=O)Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC001265526911 1316820963 /nfs/dbraw/zinc/82/09/63/1316820963.db2.gz NAHLTXRRYVHDPS-ZDUSSCGKSA-N 0 0 338.367 2.971 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c(F)c(F)cc(F)c2F)n1 ZINC001265737057 1316869061 /nfs/dbraw/zinc/86/90/61/1316869061.db2.gz TVJDDPJJYJZDLV-UHFFFAOYSA-N 0 0 343.236 2.785 10 5 EFBERN CCNc1ccc(C(=O)N[C@H](CC)c2noc(C)n2)cc1[N+](=O)[O-] ZINC001265768217 1316874196 /nfs/dbraw/zinc/87/41/96/1316874196.db2.gz WLFVUHLIXFGEFU-LLVKDONJSA-N 0 0 333.348 2.599 10 5 EFBERN COc1cccc(C(=O)Nc2ccc3c(c2)COC(=O)N3)c1[N+](=O)[O-] ZINC001279373946 1317249790 /nfs/dbraw/zinc/24/97/90/1317249790.db2.gz XTMXOVZYSGJYCY-UHFFFAOYSA-N 0 0 343.295 2.918 10 5 EFBERN O=C(Nc1ccc2c(c1)CCOC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001279550031 1317294277 /nfs/dbraw/zinc/29/42/77/1317294277.db2.gz QYSUXGCDGPZAKQ-UHFFFAOYSA-N 0 0 338.323 2.796 10 5 EFBERN CN1CCc2c(NC(=O)c3c(F)cccc3[N+](=O)[O-])cccc2C1=O ZINC001279671100 1317354701 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C/C=C(\C)C(=O)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001284900452 1320586525 /nfs/dbraw/zinc/58/65/25/1320586525.db2.gz WPZUTPCRTJYBLV-LZWSPWQCSA-N 0 0 329.400 2.809 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc2cc(C)nn21 ZINC001287248558 1321425353 /nfs/dbraw/zinc/42/53/53/1321425353.db2.gz MNIGAKXBJNBEJJ-UHFFFAOYSA-N 0 0 343.368 2.920 10 5 EFBERN CCOc1cccc(OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC001287376266 1321462698 /nfs/dbraw/zinc/46/26/98/1321462698.db2.gz NFHMDKHLDWYORG-UHFFFAOYSA-N 0 0 345.307 2.984 10 5 EFBERN COc1cc(CCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])ccn1 ZINC001287574909 1321492930 /nfs/dbraw/zinc/49/29/30/1321492930.db2.gz BHXWOKGAOVQSSI-UHFFFAOYSA-N 0 0 347.396 2.693 10 5 EFBERN Cc1c(C(=O)Nc2cncc(N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001287626235 1321504315 /nfs/dbraw/zinc/50/43/15/1321504315.db2.gz JDXAOVOLUIQKCJ-UHFFFAOYSA-N 0 0 345.315 2.525 10 5 EFBERN CCC(C)(C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001287644264 1321508483 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EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2OC[C@H]1F ZINC001288781019 1321759255 /nfs/dbraw/zinc/75/92/55/1321759255.db2.gz BHFLBWWNWRFVNR-PBHICJAKSA-N 0 0 346.314 2.562 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC001288830018 1321771264 /nfs/dbraw/zinc/77/12/64/1321771264.db2.gz YUMRJVYMYLPOEV-LBPRGKRZSA-N 0 0 344.371 2.580 10 5 EFBERN CCc1cc(C(=O)OC)ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001288992903 1321798140 /nfs/dbraw/zinc/79/81/40/1321798140.db2.gz LMDWKZHOLQTAIT-UHFFFAOYSA-N 0 0 331.328 2.535 10 5 EFBERN Cc1c(C(=O)N(C)C2(C(F)(F)F)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001289008647 1321798452 /nfs/dbraw/zinc/79/84/52/1321798452.db2.gz CBSKSIAHHJXPNW-UHFFFAOYSA-N 0 0 347.249 2.978 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N=[S@](C)(=O)c1cccc(F)c1 ZINC001289028859 1321798462 /nfs/dbraw/zinc/79/84/62/1321798462.db2.gz IHWVYBRTGIAAME-HSZRJFAPSA-N 0 0 337.332 2.734 10 5 EFBERN CC[S@@](C)(=O)=NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001289018897 1321798551 /nfs/dbraw/zinc/79/85/51/1321798551.db2.gz KQZGPTQAAVUVRA-JOCHJYFZSA-N 0 0 339.398 2.976 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3cccc4cccc2c43)n1 ZINC001289111120 1321800959 /nfs/dbraw/zinc/80/09/59/1321800959.db2.gz TXDHYKGPWRTITF-CQSZACIVSA-N 0 0 336.351 2.899 10 5 EFBERN CC(C)c1nccnc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001289189678 1321802085 /nfs/dbraw/zinc/80/20/85/1321802085.db2.gz GBMCDEGSTHEADL-UHFFFAOYSA-N 0 0 326.316 2.637 10 5 EFBERN CCc1ccc(C(=O)N[C@@H](CC(=O)OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC001289248737 1321809178 /nfs/dbraw/zinc/80/91/78/1321809178.db2.gz UBOZWPSDPCJGRV-AWEZNQCLSA-N 0 0 336.388 2.865 10 5 EFBERN NC(=O)c1cc(NC(=O)/C=C\SCc2ccco2)ccc1[N+](=O)[O-] ZINC001289256727 1321809517 /nfs/dbraw/zinc/80/95/17/1321809517.db2.gz YZMQSCRFFOJKDW-ALCCZGGFSA-N 0 0 347.352 2.672 10 5 EFBERN C/C(=C\C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccs1 ZINC001289258465 1321809941 /nfs/dbraw/zinc/80/99/41/1321809941.db2.gz RGUYDJNKFJMZKU-VQHVLOKHSA-N 0 0 331.353 2.797 10 5 EFBERN CCc1ccc([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001289255539 1321809979 /nfs/dbraw/zinc/80/99/79/1321809979.db2.gz LUGWCFXLNZFWMC-LLVKDONJSA-N 0 0 341.367 2.998 10 5 EFBERN C[S@](=O)(=NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC001289285883 1321811235 /nfs/dbraw/zinc/81/12/35/1321811235.db2.gz WXULHZLWYULIDA-JOCHJYFZSA-N 0 0 339.760 2.940 10 5 EFBERN C[C@H](CC(N)=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001289312940 1321812564 /nfs/dbraw/zinc/81/25/64/1321812564.db2.gz DNVPKNDBQPJINX-GFCCVEGCSA-N 0 0 341.367 2.755 10 5 EFBERN Cn1nnc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1C(F)F ZINC001289531208 1321820041 /nfs/dbraw/zinc/82/00/41/1321820041.db2.gz KOZVCWLKPQRGBS-UHFFFAOYSA-N 0 0 339.302 2.577 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccnc(-n2cccn2)c1 ZINC001289737528 1321824519 /nfs/dbraw/zinc/82/45/19/1321824519.db2.gz VDOFVOHZYDEYPP-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]12CCOC2 ZINC001289823518 1321829765 /nfs/dbraw/zinc/82/97/65/1321829765.db2.gz RDZOSULDTJTHTB-JZXOWHBKSA-N 0 0 330.384 2.870 10 5 EFBERN Cc1nccnc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001289891868 1321835099 /nfs/dbraw/zinc/83/50/99/1321835099.db2.gz WNZLEFBZSICMDZ-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN CCc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)no1 ZINC001289936323 1321839171 /nfs/dbraw/zinc/83/91/71/1321839171.db2.gz YNUNSLJTPHVIGA-UHFFFAOYSA-N 0 0 341.327 2.798 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001290034754 1321867450 /nfs/dbraw/zinc/86/74/50/1321867450.db2.gz LKLFFWWJRJFSBW-OAHLLOKOSA-N 0 0 345.311 2.792 10 5 EFBERN C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCCC1 ZINC001290228289 1321886283 /nfs/dbraw/zinc/88/62/83/1321886283.db2.gz MCZAQLJLHXJJNA-UHFFFAOYSA-N 0 0 335.404 2.685 10 5 EFBERN O=C(N[C@@H]1CCSc2ccccc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001290235525 1321887090 /nfs/dbraw/zinc/88/70/90/1321887090.db2.gz QKRMQQFSUFHZMF-MRVPVSSYSA-N 0 0 338.776 2.938 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC001290587146 1321933306 /nfs/dbraw/zinc/93/33/06/1321933306.db2.gz JATVEABOGFJQTD-JTQLQIEISA-N 0 0 347.350 2.543 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COc1ccsn1 ZINC001290651348 1321939656 /nfs/dbraw/zinc/93/96/56/1321939656.db2.gz OQGOGINBAAUMKT-UHFFFAOYSA-N 0 0 341.776 2.742 10 5 EFBERN COC(=O)CCCCCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001290875352 1321967682 /nfs/dbraw/zinc/96/76/82/1321967682.db2.gz ZUPNOHAFARNXDW-HOTGVXAUSA-N 0 0 348.399 2.938 10 5 EFBERN CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[NH+]1CCC(C)CC1 ZINC001290876703 1321967940 /nfs/dbraw/zinc/96/79/40/1321967940.db2.gz YARBKXFBILYMLY-INIZCTEOSA-N 0 0 349.431 2.787 10 5 EFBERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001290931616 1321970730 /nfs/dbraw/zinc/97/07/30/1321970730.db2.gz SDCAOFVVIQRFKD-QMMMGPOBSA-N 0 0 331.357 2.761 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(-c3nnco3)ccc2C)n1 ZINC001291552906 1321981821 /nfs/dbraw/zinc/98/18/21/1321981821.db2.gz ADROAXUMOKWLQB-UHFFFAOYSA-N 0 0 339.311 2.909 10 5 EFBERN COC(=O)CCc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001291594902 1321987266 /nfs/dbraw/zinc/98/72/66/1321987266.db2.gz FMCOHEZPJOBSFN-UHFFFAOYSA-N 0 0 342.351 2.630 10 5 EFBERN C[C@@H]1CCC[C@@](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])([NH+](C)C)C1 ZINC001291945430 1322024604 /nfs/dbraw/zinc/02/46/04/1322024604.db2.gz FBGPYHFJFXXZEW-SJKOYZFVSA-N 0 0 335.404 2.541 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ncc2ccccc2c1O ZINC001291970573 1322026026 /nfs/dbraw/zinc/02/60/26/1322026026.db2.gz UCTUHBSWIHWEJO-UHFFFAOYSA-N 0 0 337.335 2.821 10 5 EFBERN CN(C)c1cccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001292416453 1322070601 /nfs/dbraw/zinc/07/06/01/1322070601.db2.gz ARXNYNBJLSHSNH-UHFFFAOYSA-N 0 0 348.790 2.826 10 5 EFBERN CN(C)c1ccc(Cl)cc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001292478123 1322079889 /nfs/dbraw/zinc/07/98/89/1322079889.db2.gz PTNIFFLQXNXTAE-OAHLLOKOSA-N 0 0 349.774 2.986 10 5 EFBERN C[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001292479351 1322080012 /nfs/dbraw/zinc/08/00/12/1322080012.db2.gz YEOVQIQZTVZLSX-SSDOTTSWSA-N 0 0 326.715 2.644 10 5 EFBERN C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001293165328 1322201608 /nfs/dbraw/zinc/20/16/08/1322201608.db2.gz PAWOXGYBTLPFMX-XCBNKYQSSA-N 0 0 342.193 2.858 10 5 EFBERN CC1(C)C[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001293248754 1322215876 /nfs/dbraw/zinc/21/58/76/1322215876.db2.gz QDOWQRYXEXZFCS-LLVKDONJSA-N 0 0 329.356 2.684 10 5 EFBERN CN1c2ccccc2C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1=O ZINC001307163902 1322296813 /nfs/dbraw/zinc/29/68/13/1322296813.db2.gz JOYDEZNDBSSNHR-HNNXBMFYSA-N 0 0 349.350 2.538 10 5 EFBERN C[C@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC001293993383 1322391820 /nfs/dbraw/zinc/39/18/20/1322391820.db2.gz DPHLOBTVZUCGII-AWEZNQCLSA-N 0 0 340.788 2.947 10 5 EFBERN COc1cc(=O)[nH]cc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001294095922 1322407953 /nfs/dbraw/zinc/40/79/53/1322407953.db2.gz YJRBBZZFLGTZAR-JTQLQIEISA-N 0 0 331.328 2.503 10 5 EFBERN CC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(F)c1 ZINC001294138602 1322415740 /nfs/dbraw/zinc/41/57/40/1322415740.db2.gz HWUBNNTWUSYKRH-UHFFFAOYSA-N 0 0 333.275 2.615 10 5 EFBERN Cc1c(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001294144940 1322417413 /nfs/dbraw/zinc/41/74/13/1322417413.db2.gz DPWIFDJZJJGVLP-WDEREUQCSA-N 0 0 341.270 2.539 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2nonc2c1 ZINC001294220065 1322433562 /nfs/dbraw/zinc/43/35/62/1322433562.db2.gz PSHXIKUCLQWHEQ-UHFFFAOYSA-N 0 0 340.339 2.884 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H]2CS(=O)(=O)Cc3ccccc32)c(F)c1 ZINC001307171074 1322433602 /nfs/dbraw/zinc/43/36/02/1322433602.db2.gz KDSAIRMWANRRRM-HNNXBMFYSA-N 0 0 336.344 2.816 10 5 EFBERN CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)no1 ZINC001294301200 1322450013 /nfs/dbraw/zinc/45/00/13/1322450013.db2.gz ADEALILJQXVWDA-GFCCVEGCSA-N 0 0 333.348 2.797 10 5 EFBERN CNc1nccc(C(=O)N(C)[C@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001294431761 1322481594 /nfs/dbraw/zinc/48/15/94/1322481594.db2.gz OKJSWDIBJIYPJJ-SNVBAGLBSA-N 0 0 334.401 2.796 10 5 EFBERN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001294493552 1322495323 /nfs/dbraw/zinc/49/53/23/1322495323.db2.gz OQYDLPFPUPAHBH-LLVKDONJSA-N 0 0 327.340 2.913 10 5 EFBERN O=Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1F ZINC001294549825 1322511452 /nfs/dbraw/zinc/51/14/52/1322511452.db2.gz CYZSKEFRAIJLNA-UHFFFAOYSA-N 0 0 328.299 2.745 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)n1 ZINC001294952891 1322608443 /nfs/dbraw/zinc/60/84/43/1322608443.db2.gz KIXYTMLGVAIMJJ-GFCCVEGCSA-N 0 0 329.356 2.707 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H](CCO)c1ccccc1 ZINC001295001902 1322616840 /nfs/dbraw/zinc/61/68/40/1322616840.db2.gz BQCQJQROYZHGSP-OAHLLOKOSA-N 0 0 332.331 2.516 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(N(C)CCO)cc1 ZINC001295086859 1322631054 /nfs/dbraw/zinc/63/10/54/1322631054.db2.gz DCEWUNCHPFZLJR-UHFFFAOYSA-N 0 0 347.346 2.723 10 5 EFBERN CC(=O)Nc1ncccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001295467631 1322706375 /nfs/dbraw/zinc/70/63/75/1322706375.db2.gz GUVUZAMJAUWJNU-KGLIPLIRSA-N 0 0 340.339 2.690 10 5 EFBERN Cc1ccccc1[C@@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001295488507 1322710499 /nfs/dbraw/zinc/71/04/99/1322710499.db2.gz FWKVHDDJQVNIPV-OAHLLOKOSA-N 0 0 348.786 2.949 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)c1cccc(O)c1 ZINC001295519754 1322716676 /nfs/dbraw/zinc/71/66/76/1322716676.db2.gz NLCJBUNCIMXEKM-LLVKDONJSA-N 0 0 330.340 2.729 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC001295525807 1322717868 /nfs/dbraw/zinc/71/78/68/1322717868.db2.gz GQSPEUVPEDTHPJ-UHFFFAOYSA-N 0 0 341.367 2.568 10 5 EFBERN Cc1ccccc1-c1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n[nH]1 ZINC001295613732 1322734883 /nfs/dbraw/zinc/73/48/83/1322734883.db2.gz BLNRTPVOIWTMFI-UHFFFAOYSA-N 0 0 346.734 2.922 10 5 EFBERN O=C1[C@H](c2ccccc2)CCN1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001319996048 1329052938 /nfs/dbraw/zinc/05/29/38/1329052938.db2.gz SHGZJFODJXIXJL-KRWDZBQOSA-N 0 0 337.379 2.931 10 5 EFBERN COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(C)=O)ccc1[N+](=O)[O-] ZINC001296068737 1322848436 /nfs/dbraw/zinc/84/84/36/1322848436.db2.gz ORZYZSWGVXRMTQ-HNNXBMFYSA-N 0 0 342.351 2.534 10 5 EFBERN Nc1c(Cl)cc(C(=O)NOCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001296233659 1322871078 /nfs/dbraw/zinc/87/10/78/1322871078.db2.gz FYPXJGYGBSKNMA-UHFFFAOYSA-N 0 0 339.710 2.831 10 5 EFBERN COC1(C(F)(F)F)CN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001307217124 1323019190 /nfs/dbraw/zinc/01/91/90/1323019190.db2.gz HIIWPPWJLPREEF-UHFFFAOYSA-N 0 0 327.262 2.911 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2nc3c(s2)COCC3)c(Cl)c1 ZINC001307217164 1323020636 /nfs/dbraw/zinc/02/06/36/1323020636.db2.gz JBUSSIMQLMQHBZ-UHFFFAOYSA-N 0 0 340.792 2.827 10 5 EFBERN C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001307218845 1323021850 /nfs/dbraw/zinc/02/18/50/1323021850.db2.gz CYAARURDIORQCQ-LURJTMIESA-N 0 0 341.253 2.553 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@@](F)(c2ccccc2)C1 ZINC001296898979 1323051703 /nfs/dbraw/zinc/05/17/03/1323051703.db2.gz CSEWBNBLMZTOOL-AWEZNQCLSA-N 0 0 338.726 2.682 10 5 EFBERN C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1nc(C(F)(F)F)n[nH]1 ZINC001307219561 1323052880 /nfs/dbraw/zinc/05/28/80/1323052880.db2.gz PKRLCWXCQKJABG-YFKPBYRVSA-N 0 0 349.244 2.536 10 5 EFBERN CC(C)(C)CC[C@H](CO)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001296991447 1323067619 /nfs/dbraw/zinc/06/76/19/1323067619.db2.gz SMZNMXLAOZOBFL-SNVBAGLBSA-N 0 0 343.811 2.747 10 5 EFBERN COc1c(C(=O)N2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC001297520325 1323253886 /nfs/dbraw/zinc/25/38/86/1323253886.db2.gz VREIXISLTNSUCF-UHFFFAOYSA-N 0 0 339.351 2.928 10 5 EFBERN Cc1noc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001297638359 1323306172 /nfs/dbraw/zinc/30/61/72/1323306172.db2.gz QDYUVGVFTOPKSW-KKUMJFAQSA-N 0 0 342.355 2.753 10 5 EFBERN CC(C)(NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ncc[nH]1 ZINC001297869611 1323363260 /nfs/dbraw/zinc/36/32/60/1323363260.db2.gz UYVWUQDDGHVFTF-UHFFFAOYSA-N 0 0 339.355 2.718 10 5 EFBERN COc1nccc2cc(NC(=O)c3cccc([N+](=O)[O-])c3N)ccc21 ZINC001298171007 1323452552 /nfs/dbraw/zinc/45/25/52/1323452552.db2.gz SXEJQRPAVUNZPO-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN O=C(N[C@@H](CO)c1ccccn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001298487214 1323547744 /nfs/dbraw/zinc/54/77/44/1323547744.db2.gz UXCSLRKHJLJEPK-ZDUSSCGKSA-N 0 0 343.364 2.668 10 5 EFBERN CN(C)c1cc(F)c(C(=O)NC/C=C\c2cccnc2)cc1[N+](=O)[O-] ZINC001298673857 1323586469 /nfs/dbraw/zinc/58/64/69/1323586469.db2.gz QGWQCPULADIMRV-XQRVVYSFSA-N 0 0 344.346 2.638 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)c1F ZINC001298822435 1323616358 /nfs/dbraw/zinc/61/63/58/1323616358.db2.gz YSXULWNVSCRUGE-UHFFFAOYSA-N 0 0 347.277 2.677 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C=O)cc1 ZINC001298829785 1323617814 /nfs/dbraw/zinc/61/78/14/1323617814.db2.gz JTYUQTYAWJNWNJ-UHFFFAOYSA-N 0 0 328.324 2.987 10 5 EFBERN CC(C)n1ncc2cc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cnc21 ZINC001298874777 1323627479 /nfs/dbraw/zinc/62/74/79/1323627479.db2.gz DPGNXHXYCDMOGN-UHFFFAOYSA-N 0 0 340.343 2.755 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001298997140 1323660758 /nfs/dbraw/zinc/66/07/58/1323660758.db2.gz VHUSOVWRIWHHBK-JTQLQIEISA-N 0 0 331.376 2.614 10 5 EFBERN Nc1c(C(=O)Nc2ccc3c(c2)CCCC3=O)cccc1[N+](=O)[O-] ZINC001299841841 1323709427 /nfs/dbraw/zinc/70/94/27/1323709427.db2.gz IGXFRRFFYIXYQA-UHFFFAOYSA-N 0 0 325.324 2.948 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1CCOC2 ZINC001299862247 1323710682 /nfs/dbraw/zinc/71/06/82/1323710682.db2.gz HVNXOQQGSDCXPY-UHFFFAOYSA-N 0 0 327.340 2.962 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCc2sc(Cl)cc2C1 ZINC001299890642 1323712432 /nfs/dbraw/zinc/71/24/32/1323712432.db2.gz ZLPIDKCSMQWURT-UHFFFAOYSA-N 0 0 347.183 2.885 10 5 EFBERN O=C(Nc1ccc(CO)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001299972513 1323715078 /nfs/dbraw/zinc/71/50/78/1323715078.db2.gz IFMGSWLGZSQROJ-UHFFFAOYSA-N 0 0 338.266 2.941 10 5 EFBERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001320490738 1329144290 /nfs/dbraw/zinc/14/42/90/1329144290.db2.gz FWTMMHHOJYDQTA-IRXDYDNUSA-N 0 0 331.416 2.531 10 5 EFBERN Cc1nccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC001537279992 1324341705 /nfs/dbraw/zinc/34/17/05/1324341705.db2.gz SHQKTZAELRBVCB-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1ccns1 ZINC001300932841 1324515785 /nfs/dbraw/zinc/51/57/85/1324515785.db2.gz XXBGHFSSCLJFOJ-UHFFFAOYSA-N 0 0 325.777 2.954 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nccc2cc[nH]c21 ZINC001300955610 1324516558 /nfs/dbraw/zinc/51/65/58/1324516558.db2.gz STOHRYZBGVOBIY-UHFFFAOYSA-N 0 0 330.275 2.628 10 5 EFBERN CNc1nccc(C(=O)Nc2ccccc2-c2ncco2)c1[N+](=O)[O-] ZINC001301156004 1324526556 /nfs/dbraw/zinc/52/65/56/1324526556.db2.gz DNMUQZJBQMHWBH-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1nnc2ccc(Cl)cn21 ZINC001301189362 1324527801 /nfs/dbraw/zinc/52/78/01/1324527801.db2.gz OHKIAZTXQPEIBM-UHFFFAOYSA-N 0 0 345.746 2.529 10 5 EFBERN COc1cc(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)ccn1 ZINC001302149657 1324566489 /nfs/dbraw/zinc/56/64/89/1324566489.db2.gz PHHVQLCOBUPBMY-UHFFFAOYSA-N 0 0 335.747 2.624 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001302263533 1324569796 /nfs/dbraw/zinc/56/97/96/1324569796.db2.gz XBZKABKEEBJJBU-ZDUSSCGKSA-N 0 0 345.742 2.541 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2c(C)oc(C)c2C)cc1[N+](=O)[O-] ZINC001302304057 1324572211 /nfs/dbraw/zinc/57/22/11/1324572211.db2.gz QXACDIHRDBEKQM-UHFFFAOYSA-N 0 0 346.339 2.734 10 5 EFBERN Cc1ccc(O)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001302438128 1324578263 /nfs/dbraw/zinc/57/82/63/1324578263.db2.gz VCJNIDXDXPXJIQ-UHFFFAOYSA-N 0 0 326.312 2.597 10 5 EFBERN Cc1cncc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC001302698601 1324584798 /nfs/dbraw/zinc/58/47/98/1324584798.db2.gz XWQXDJQSAOAWTJ-INIZCTEOSA-N 0 0 326.356 2.858 10 5 EFBERN C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)Cc2cncnc21 ZINC001302946422 1324588695 /nfs/dbraw/zinc/58/86/95/1324588695.db2.gz KLYRZSVUWRHIAD-JTQLQIEISA-N 0 0 337.339 2.626 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC001302933551 1324588875 /nfs/dbraw/zinc/58/88/75/1324588875.db2.gz UOLFBMIUFKWTRS-UHFFFAOYSA-N 0 0 328.324 2.525 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])Cc2cncnc21 ZINC001302945219 1324588914 /nfs/dbraw/zinc/58/89/14/1324588914.db2.gz BLULOUSNBCXJGY-SECBINFHSA-N 0 0 332.747 2.798 10 5 EFBERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001303553458 1324610513 /nfs/dbraw/zinc/61/05/13/1324610513.db2.gz ITCIJHFCDKXQGM-STQMWFEESA-N 0 0 341.367 2.591 10 5 EFBERN COc1ccc(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC001303553121 1324610620 /nfs/dbraw/zinc/61/06/20/1324610620.db2.gz WMIDABNFBGSDKX-NSHDSACASA-N 0 0 330.340 2.729 10 5 EFBERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001303553457 1324610853 /nfs/dbraw/zinc/61/08/53/1324610853.db2.gz ITCIJHFCDKXQGM-QWHCGFSZSA-N 0 0 341.367 2.591 10 5 EFBERN Nc1c(C(=O)NCc2cscc2Cl)cc(F)cc1[N+](=O)[O-] ZINC001303710070 1324618900 /nfs/dbraw/zinc/61/89/00/1324618900.db2.gz SAZUAYPDPNGWKW-UHFFFAOYSA-N 0 0 329.740 2.961 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC(F)(F)OC(F)(F)C1 ZINC001303816117 1324621397 /nfs/dbraw/zinc/62/13/97/1324621397.db2.gz IRQPEPUUPYVEPK-UHFFFAOYSA-N 0 0 342.632 2.906 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2ncon2)C1 ZINC001303855202 1324623030 /nfs/dbraw/zinc/62/30/30/1324623030.db2.gz KPAWOAJUTWAYPA-SECBINFHSA-N 0 0 336.735 2.651 10 5 EFBERN C[S@@](=O)(=NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001303908286 1324626293 /nfs/dbraw/zinc/62/62/93/1324626293.db2.gz OBHABBXZIHNNQW-QHCPKHFHSA-N 0 0 333.369 2.690 10 5 EFBERN CC[C@@H](NC(=O)N1C[C@H]2[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000845027139 1324626964 /nfs/dbraw/zinc/62/69/64/1324626964.db2.gz OBJPJSUCLHALBC-FRRDWIJNSA-N 0 0 325.315 2.952 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc2[nH]ccc2c1C ZINC001303976191 1324629461 /nfs/dbraw/zinc/62/94/61/1324629461.db2.gz MADSHIJRBWPLPZ-UHFFFAOYSA-N 0 0 326.312 2.992 10 5 EFBERN Cc1cc([C@H]2CCCCN2C(=O)CNc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001304122690 1324640660 /nfs/dbraw/zinc/64/06/60/1324640660.db2.gz CROHKANCIYYQTN-OAHLLOKOSA-N 0 0 343.387 2.792 10 5 EFBERN COc1nscc1CN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001304118885 1324640713 /nfs/dbraw/zinc/64/07/13/1324640713.db2.gz UBTDNGLNPICQRO-UHFFFAOYSA-N 0 0 346.368 2.813 10 5 EFBERN COc1nscc1CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001304117295 1324640815 /nfs/dbraw/zinc/64/08/15/1324640815.db2.gz COGVWHSDHJTEMB-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC001304200865 1324644737 /nfs/dbraw/zinc/64/47/37/1324644737.db2.gz QHECKLPIBKRPOF-DOMZBBRYSA-N 0 0 338.791 2.865 10 5 EFBERN CC[C@@](O)(CCC(F)(F)F)CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001304201435 1324644957 /nfs/dbraw/zinc/64/49/57/1324644957.db2.gz BYPMNSLJUCNTBD-CYBMUJFWSA-N 0 0 349.309 2.512 10 5 EFBERN C[C@H](CNC(=O)c1cc(N)nc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001304193675 1324645223 /nfs/dbraw/zinc/64/52/23/1324645223.db2.gz WHIIPOUBUXSESK-SECBINFHSA-N 0 0 334.763 2.759 10 5 EFBERN CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001304225541 1324645819 /nfs/dbraw/zinc/64/58/19/1324645819.db2.gz BKBZLYWHRUSUEB-ZDUSSCGKSA-N 0 0 340.383 2.980 10 5 EFBERN O=C(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cncs1 ZINC001304241811 1324647080 /nfs/dbraw/zinc/64/70/80/1324647080.db2.gz XUXSEUKZQHUTGW-UHFFFAOYSA-N 0 0 347.377 2.879 10 5 EFBERN CO[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC001304498315 1324652165 /nfs/dbraw/zinc/65/21/65/1324652165.db2.gz MSIYDKJBLQOFQI-HNNXBMFYSA-N 0 0 333.319 2.951 10 5 EFBERN Cc1ccc(NC(=O)CCCc2nc(C3CC3)no2)c(N)c1[N+](=O)[O-] ZINC001304499720 1324652690 /nfs/dbraw/zinc/65/26/90/1324652690.db2.gz FWMMDGGMQPJMIY-UHFFFAOYSA-N 0 0 345.359 2.707 10 5 EFBERN Cc1ncoc1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001304649078 1324657930 /nfs/dbraw/zinc/65/79/30/1324657930.db2.gz HTLWRZQUJRUSDW-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001304958093 1324669152 /nfs/dbraw/zinc/66/91/52/1324669152.db2.gz XUPFHDZDODKFJY-GBIKHYSHSA-N 0 0 335.335 2.611 10 5 EFBERN Cc1[nH]nc(C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001305250634 1324676447 /nfs/dbraw/zinc/67/64/47/1324676447.db2.gz DBFLKFXTXDLOSL-JOCHJYFZSA-N 0 0 342.764 2.577 10 5 EFBERN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001306040721 1324696584 /nfs/dbraw/zinc/69/65/84/1324696584.db2.gz FHURWZPBZOPJTN-NXEZZACHSA-N 0 0 343.305 2.990 10 5 EFBERN CCc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1CF ZINC001306087734 1324698681 /nfs/dbraw/zinc/69/86/81/1324698681.db2.gz UOJFAAFNQMTWQY-DZGCQCFKSA-N 0 0 347.394 2.958 10 5 EFBERN CCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1C[C@@H]1C ZINC001306155546 1324701683 /nfs/dbraw/zinc/70/16/83/1324701683.db2.gz UWDQZUNQPSOMJQ-GXTWGEPZSA-N 0 0 341.415 2.967 10 5 EFBERN O=C(CCCn1cccc1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001306509577 1324713720 /nfs/dbraw/zinc/71/37/20/1324713720.db2.gz LLJMWMBSBMPTJK-UHFFFAOYSA-N 0 0 340.343 2.600 10 5 EFBERN Cc1nc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1C ZINC001307266136 1324754586 /nfs/dbraw/zinc/75/45/86/1324754586.db2.gz HVYZAKGHRFYJSW-UHFFFAOYSA-N 0 0 326.399 2.950 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC2CCC(C(N)=O)CC2)cc1C ZINC001306959510 1324734594 /nfs/dbraw/zinc/73/45/94/1324734594.db2.gz RVQNVCJACNARTG-UHFFFAOYSA-N 0 0 349.387 2.536 10 5 EFBERN Cc1cc(F)ccc1N1CCC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC001306966933 1324736113 /nfs/dbraw/zinc/73/61/13/1324736113.db2.gz FTECBOFCMJHZGN-ZDUSSCGKSA-N 0 0 333.367 2.857 10 5 EFBERN Cc1nc(NCc2nc3cccc(Cl)c3n2C)ncc1[N+](=O)[O-] ZINC001307097636 1324740864 /nfs/dbraw/zinc/74/08/64/1324740864.db2.gz CLFQHLCBSBTBBB-UHFFFAOYSA-N 0 0 332.751 2.845 10 5 EFBERN CCOc1cc(Oc2c3c(nc4ncnn42)CCC3)ccc1[N+](=O)[O-] ZINC001307113214 1324741702 /nfs/dbraw/zinc/74/17/02/1324741702.db2.gz YAUHSOJWINICMT-UHFFFAOYSA-N 0 0 341.327 2.712 10 5 EFBERN NC(=O)c1cc(N2CCn3c(cc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC001307127868 1324744202 /nfs/dbraw/zinc/74/42/02/1324744202.db2.gz ROAQSKURBPXCQV-UHFFFAOYSA-N 0 0 336.351 2.669 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](CO)c2ccc(F)cc2)c1 ZINC001307139533 1324744668 /nfs/dbraw/zinc/74/46/68/1324744668.db2.gz FFGFQFXBFIFBQO-ZDUSSCGKSA-N 0 0 348.330 2.709 10 5 EFBERN Cc1cccc(C[C@]2(C)CCCN2c2ncc([N+](=O)[O-])c(N)n2)c1 ZINC001307176805 1324747662 /nfs/dbraw/zinc/74/76/62/1324747662.db2.gz IYBBWBVGDLQFKF-KRWDZBQOSA-N 0 0 327.388 2.877 10 5 EFBERN CC(C)Oc1nc(Nc2cnn3c2NC[C@H](C)C3)ccc1[N+](=O)[O-] ZINC001307176949 1324747760 /nfs/dbraw/zinc/74/77/60/1324747760.db2.gz KWYFDNXEGOFZRY-JTQLQIEISA-N 0 0 332.364 2.779 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H](CO)c2cccc(C(F)(F)F)c2)nc1 ZINC001307187613 1324748633 /nfs/dbraw/zinc/74/86/33/1324748633.db2.gz YPGHROYGWUZPSY-NSHDSACASA-N 0 0 328.250 2.549 10 5 EFBERN O=[N+]([O-])c1c(Br)cccc1N1CCc2ncncc2C1 ZINC001307194329 1324748824 /nfs/dbraw/zinc/74/88/24/1324748824.db2.gz DSBIOUKMBKLRCM-UHFFFAOYSA-N 0 0 335.161 2.710 10 5 EFBERN Cc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1N1CCCC1 ZINC001307203009 1324749356 /nfs/dbraw/zinc/74/93/56/1324749356.db2.gz RWJRZPZDDUHKPS-UHFFFAOYSA-N 0 0 341.371 2.741 10 5 EFBERN COc1cc(OC)c(OC)cc1CSc1nn(C)cc1[N+](=O)[O-] ZINC001307201506 1324749374 /nfs/dbraw/zinc/74/93/74/1324749374.db2.gz YUTIAQJZJWBWRI-UHFFFAOYSA-N 0 0 339.373 2.646 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@H]2CCC(C)(C)CO2)c1[N+](=O)[O-] ZINC001307198366 1324749745 /nfs/dbraw/zinc/74/97/45/1324749745.db2.gz KZQHRPLYQHHSAW-LLVKDONJSA-N 0 0 337.376 2.784 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nnc3ccc(Cl)cn32)c([N+](=O)[O-])c1 ZINC001307196739 1324749889 /nfs/dbraw/zinc/74/98/89/1324749889.db2.gz YUJHNJYLKMPTHS-UHFFFAOYSA-N 0 0 348.706 2.811 10 5 EFBERN O=[N+]([O-])c1ccc(NCCc2ccc(O)c(CO)c2)c2ncccc12 ZINC001307199142 1324749897 /nfs/dbraw/zinc/74/98/97/1324749897.db2.gz CAZLIHQHFKUAEN-UHFFFAOYSA-N 0 0 339.351 2.996 10 5 EFBERN COC(=O)/C=C\c1ccc(NCc2cnc3n2CCC3)c([N+](=O)[O-])c1 ZINC001307210702 1324750340 /nfs/dbraw/zinc/75/03/40/1324750340.db2.gz VYTYKGUUXLMTFO-ALCCZGGFSA-N 0 0 342.355 2.536 10 5 EFBERN COC(=O)Cc1ccc(NCC2(C3(O)CCC3)CCC2)c([N+](=O)[O-])c1 ZINC001307206289 1324750781 /nfs/dbraw/zinc/75/07/81/1324750781.db2.gz HUQWFSKDLADXAQ-UHFFFAOYSA-N 0 0 348.399 2.808 10 5 EFBERN CSCc1nc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC001307211831 1324750849 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2.969 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCC(F)(F)C1(O)CCCCC1 ZINC001307230713 1324752306 /nfs/dbraw/zinc/75/23/06/1324752306.db2.gz VWKOMQUJCFXWHK-UHFFFAOYSA-N 0 0 332.351 2.862 10 5 EFBERN O=C(CNc1ncc([N+](=O)[O-])cc1F)N1CCCCc2ccccc21 ZINC001307221740 1324752701 /nfs/dbraw/zinc/75/27/01/1324752701.db2.gz CUZAZZCSXQFVTM-UHFFFAOYSA-N 0 0 344.346 2.910 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC1(C2(O)CCC2)CC1 ZINC001307222647 1324752804 /nfs/dbraw/zinc/75/28/04/1324752804.db2.gz QCFMSUNLDODXGX-UHFFFAOYSA-N 0 0 331.347 2.811 10 5 EFBERN COC(=O)c1ccnc(NC2CC3(C2)COC(C)(C)C3)c1[N+](=O)[O-] ZINC001307226578 1324752888 /nfs/dbraw/zinc/75/28/88/1324752888.db2.gz VRIGDVNQDSIOLF-UHFFFAOYSA-N 0 0 335.360 2.536 10 5 EFBERN CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCS1(=O)=O ZINC001307221352 1324752941 /nfs/dbraw/zinc/75/29/41/1324752941.db2.gz ANSUVANARKZSBT-LLVKDONJSA-N 0 0 349.412 2.911 10 5 EFBERN Cn1cc(CSc2n[nH]c(-c3ccccc3F)n2)c([N+](=O)[O-])n1 ZINC001307245679 1324754114 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Cn1cc(COc2c(F)cccc2Br)c([N+](=O)[O-])n1 ZINC001307374039 1324765130 /nfs/dbraw/zinc/76/51/30/1324765130.db2.gz NDHSCSPMOQISAC-UHFFFAOYSA-N 0 0 330.113 2.809 10 5 EFBERN COC(=O)c1nn(CC(F)(F)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001307387840 1324765353 /nfs/dbraw/zinc/76/53/53/1324765353.db2.gz QSSUBPAVHSVDNA-UHFFFAOYSA-N 0 0 329.234 2.509 10 5 EFBERN COC(=O)c1cccc(-c2nc(Cn3ccnc3[N+](=O)[O-])cs2)c1 ZINC001307384430 1324765849 /nfs/dbraw/zinc/76/58/49/1324765849.db2.gz GRVOLHDNMQRTLM-UHFFFAOYSA-N 0 0 344.352 2.750 10 5 EFBERN CCc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC001307391446 1324766535 /nfs/dbraw/zinc/76/65/35/1324766535.db2.gz UMWCLOXLHVUSPN-SSDOTTSWSA-N 0 0 340.336 2.799 10 5 EFBERN CN(Cc1cn(C)nc1[N+](=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC001307571100 1324773454 /nfs/dbraw/zinc/77/34/54/1324773454.db2.gz AVQIVCGNEHBOML-UHFFFAOYSA-N 0 0 339.739 2.522 10 5 EFBERN Cn1cc(CN2CCc3c2cccc3[N+](=O)[O-])c(Br)n1 ZINC001307647880 1324776247 /nfs/dbraw/zinc/77/62/47/1324776247.db2.gz LRSRHOALDCNIPQ-UHFFFAOYSA-N 0 0 337.177 2.654 10 5 EFBERN C[C@H](CCO)N(C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001307892262 1324785029 /nfs/dbraw/zinc/78/50/29/1324785029.db2.gz GSQXVNYLHQKMLL-SECBINFHSA-N 0 0 340.767 2.501 10 5 EFBERN COC(=O)[C@@](C)(NCc1coc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC001307980692 1324787608 /nfs/dbraw/zinc/78/76/08/1324787608.db2.gz CSIKPVRDIYDAJT-KRWDZBQOSA-N 0 0 345.355 2.638 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCc2nc(N(C)C)sc2C1 ZINC001308048900 1324790677 /nfs/dbraw/zinc/79/06/77/1324790677.db2.gz YEGCRGNNMSEKMG-UHFFFAOYSA-N 0 0 348.428 2.684 10 5 EFBERN O=[N+]([O-])c1ccccc1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001308089721 1324792758 /nfs/dbraw/zinc/79/27/58/1324792758.db2.gz CDIMMTYPHCQODM-UHFFFAOYSA-N 0 0 332.791 2.965 10 5 EFBERN CNC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000753692176 1324793419 /nfs/dbraw/zinc/79/34/19/1324793419.db2.gz QERRCYWUAQZVBH-NSHDSACASA-N 0 0 343.339 2.576 10 5 EFBERN COc1cnc([C@H]2CCCN2Cc2ccc(C)c([N+](=O)[O-])c2)[nH]c1=O ZINC001308140381 1324796035 /nfs/dbraw/zinc/79/60/35/1324796035.db2.gz KMCMDNSSJITHQA-CYBMUJFWSA-N 0 0 344.371 2.745 10 5 EFBERN CC(=O)CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309625080 1324878247 /nfs/dbraw/zinc/87/82/47/1324878247.db2.gz BQHMIOBLRKWCGZ-UHFFFAOYSA-N 0 0 346.380 2.552 10 5 EFBERN C[C@H](CNC(=O)NCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC001313352712 1325013801 /nfs/dbraw/zinc/01/38/01/1325013801.db2.gz QTKPWXOVIBTUNC-KEYYUXOJSA-N 0 0 349.431 2.939 10 5 EFBERN O=C(NCc1cc(C(F)F)on1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001313429788 1325014928 /nfs/dbraw/zinc/01/49/28/1325014928.db2.gz HHIQCQQHXCBGRM-UHFFFAOYSA-N 0 0 338.270 2.746 10 5 EFBERN Cc1sccc1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001313445260 1325018971 /nfs/dbraw/zinc/01/89/71/1325018971.db2.gz UGYKUZSWJJEWGD-UHFFFAOYSA-N 0 0 345.424 2.923 10 5 EFBERN CCN(CCCNC(=O)c1ccoc1)Cc1csc([N+](=O)[O-])c1 ZINC001316883650 1325259922 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O=[N+]([O-])c1ccccc1OCc1nnc(/C=C/c2cnccn2)o1 ZINC001322399148 1329455547 /nfs/dbraw/zinc/45/55/47/1329455547.db2.gz JOTLOPLUDFVXID-AATRIKPKSA-N 0 0 325.284 2.517 10 5 EFBERN Nc1cc(NCCOc2ccc3c(c2)CCC3)cc(CO)c1[N+](=O)[O-] ZINC001322423359 1329457609 /nfs/dbraw/zinc/45/76/09/1329457609.db2.gz FMCKTHXZVWXOSP-UHFFFAOYSA-N 0 0 343.383 2.649 10 5 EFBERN Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC001322754230 1329485108 /nfs/dbraw/zinc/48/51/08/1329485108.db2.gz YLFJSHXWHJGKMF-JKSUJKDBSA-N 0 0 335.367 2.874 10 5 EFBERN Nc1cc(NCCCOCc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC001323063667 1329508847 /nfs/dbraw/zinc/50/88/47/1329508847.db2.gz OBHNQBZSQYLTFR-UHFFFAOYSA-N 0 0 331.372 2.688 10 5 EFBERN COc1cccc2cc(CNC(=O)c3ccc([N+](=O)[O-])cn3)oc21 ZINC001323916571 1329584479 /nfs/dbraw/zinc/58/44/79/1329584479.db2.gz JWQWLKFBOKRECZ-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN CN(C(=O)C(C)(C)C(F)F)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001323979579 1329588969 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O=[N+]([O-])c1cc(CN2CC[C@]23CCOC3)ccc1Br ZINC001325413450 1329686330 /nfs/dbraw/zinc/68/63/30/1329686330.db2.gz GSHATXNXAVERJB-CYBMUJFWSA-N 0 0 327.178 2.722 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC001325584106 1329698689 /nfs/dbraw/zinc/69/86/89/1329698689.db2.gz AEOSRPYXSLBTEN-QWHCGFSZSA-N 0 0 347.415 2.775 10 5 EFBERN Cc1cc(-c2nnc(-c3nn(C)cc3[N+](=O)[O-])o2)c2ccccc2n1 ZINC001325793141 1329713351 /nfs/dbraw/zinc/71/33/51/1329713351.db2.gz RSAGKRDALHDATR-UHFFFAOYSA-N 0 0 336.311 2.902 10 5 EFBERN O=C(COC(=O)[C@@H]1CCC[C@@H](F)C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001325919083 1329724457 /nfs/dbraw/zinc/72/44/57/1329724457.db2.gz TUQCQFNESHLBLO-NXEZZACHSA-N 0 0 342.298 2.744 10 5 EFBERN CCC(=O)c1ccc(N2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001325975876 1329728567 /nfs/dbraw/zinc/72/85/67/1329728567.db2.gz LEQGWCDCNGFROE-ZDUSSCGKSA-N 0 0 341.371 2.668 10 5 EFBERN O=C([C@@H]1CCC[C@H](F)C1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001326156217 1329735211 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ZINC001327234284 1330445330 /nfs/dbraw/zinc/44/53/30/1330445330.db2.gz GIJASAJXJYMESY-UHFFFAOYSA-N 0 0 343.335 2.903 10 5 EFBERN Cn1cc(-c2nnc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)o2)cn1 ZINC001327303666 1330455734 /nfs/dbraw/zinc/45/57/34/1330455734.db2.gz DTBCXUOZPDVCJR-UHFFFAOYSA-N 0 0 337.242 2.647 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)C(C)(C)n1cccn1 ZINC001327459896 1330481624 /nfs/dbraw/zinc/48/16/24/1330481624.db2.gz OJAMUUGVAAMBDW-UHFFFAOYSA-N 0 0 333.344 2.669 10 5 EFBERN CO[C@@H](COC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCC1 ZINC001327462267 1330482213 /nfs/dbraw/zinc/48/22/13/1330482213.db2.gz YUKHABXGWFBHTH-AWEZNQCLSA-N 0 0 326.324 2.678 10 5 EFBERN O=C(OCCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001327467672 1330483563 /nfs/dbraw/zinc/48/35/63/1330483563.db2.gz RGXQTLVOFIUUGP-LBPRGKRZSA-N 0 0 338.266 2.724 10 5 EFBERN CCOc1cc(COC(=O)C(C)(C)n2cccn2)ccc1[N+](=O)[O-] ZINC001327534507 1330496401 /nfs/dbraw/zinc/49/64/01/1330496401.db2.gz PADOFGZEYZYXFY-UHFFFAOYSA-N 0 0 333.344 2.669 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](Cc2nccn2C)C1 ZINC001327711884 1330511369 /nfs/dbraw/zinc/51/13/69/1330511369.db2.gz VQFXZTZSBPFSQZ-ZDUSSCGKSA-N 0 0 330.388 2.796 10 5 EFBERN CCc1nnc([C@H](C)OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001327944092 1330532925 /nfs/dbraw/zinc/53/29/25/1330532925.db2.gz KHJFUZKTBNDZAU-JTQLQIEISA-N 0 0 332.360 2.857 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2cccc(OCC(F)(F)F)n2)cn1 ZINC001327954783 1330534020 /nfs/dbraw/zinc/53/40/20/1330534020.db2.gz ZYTPHAMLCSVQBY-UHFFFAOYSA-N 0 0 328.250 2.938 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001328008169 1330541163 /nfs/dbraw/zinc/54/11/63/1330541163.db2.gz BDSMFEMGQXGIJI-XFLKPENQSA-N 0 0 341.205 2.955 10 5 EFBERN Cn1nc(C2CC2)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001328032814 1330544209 /nfs/dbraw/zinc/54/42/09/1330544209.db2.gz ZKHANOWVSFIANR-UHFFFAOYSA-N 0 0 325.328 2.939 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC2(CC2(F)F)C1 ZINC001328055916 1330547231 /nfs/dbraw/zinc/54/72/31/1330547231.db2.gz LCSJPKSDZLEIIY-UHFFFAOYSA-N 0 0 332.328 2.598 10 5 EFBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328264778 1330577226 /nfs/dbraw/zinc/57/72/26/1330577226.db2.gz UUXLTCBQPHPSHL-NWDGAFQWSA-N 0 0 335.404 2.713 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC3(CC3(F)F)C2)c1 ZINC001328408334 1330589656 /nfs/dbraw/zinc/58/96/56/1330589656.db2.gz HFXVPKRGRUHDGX-UHFFFAOYSA-N 0 0 340.326 2.976 10 5 EFBERN COC(=O)c1cc(C)nc(N(C)[C@H]2CC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC001328564925 1330602788 /nfs/dbraw/zinc/60/27/88/1330602788.db2.gz JRYDBZMZSBFELN-WDEREUQCSA-N 0 0 339.417 2.805 10 5 EFBERN Cc1cncc([N+](=O)[O-])c1N1CCO[C@H](COc2ccccc2)C1 ZINC001328586450 1330605466 /nfs/dbraw/zinc/60/54/66/1330605466.db2.gz VCQFOBMTYFORAE-HNNXBMFYSA-N 0 0 329.356 2.582 10 5 EFBERN Nc1cc(NCc2ccc(Br)o2)cc(CO)c1[N+](=O)[O-] ZINC001328587430 1330605474 /nfs/dbraw/zinc/60/54/74/1330605474.db2.gz ZXABEUAGJHYOQL-UHFFFAOYSA-N 0 0 342.149 2.637 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC001328656854 1330612236 /nfs/dbraw/zinc/61/22/36/1330612236.db2.gz VFLZESMBQRMLPM-ZWNOBZJWSA-N 0 0 339.319 2.953 10 5 EFBERN Cc1nc(N2CCC[C@](O)(c3ccc(Cl)cc3)C2)ncc1[N+](=O)[O-] ZINC001328678075 1330614703 /nfs/dbraw/zinc/61/47/03/1330614703.db2.gz DKMLNSDLIGGXBH-MRXNPFEDSA-N 0 0 348.790 2.835 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(C2CC2)s1 ZINC001328673642 1330614781 /nfs/dbraw/zinc/61/47/81/1330614781.db2.gz XCUPVSUCVWUCFH-UHFFFAOYSA-N 0 0 334.357 2.722 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2cn3c(n2)COCC3)n1 ZINC001328731954 1330622700 /nfs/dbraw/zinc/62/27/00/1330622700.db2.gz VBKARRHEQKWQFM-UHFFFAOYSA-N 0 0 341.327 2.655 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328773678 1330629997 /nfs/dbraw/zinc/62/99/97/1330629997.db2.gz CDKLFYYWBRIEEJ-JIMOISOXSA-N 0 0 326.299 2.524 10 5 EFBERN O=C(NCC[C@H]1CC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328907811 1330645629 /nfs/dbraw/zinc/64/56/29/1330645629.db2.gz XUCDMVSTSIWQIG-LBPRGKRZSA-N 0 0 325.315 2.708 10 5 EFBERN O=C([C@@H]1COC[C@@H]1c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329061673 1330661952 /nfs/dbraw/zinc/66/19/52/1330661952.db2.gz KCVVAQDYKCIAIC-QZTJIDSGSA-N 0 0 338.363 2.867 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001329161390 1330674916 /nfs/dbraw/zinc/67/49/16/1330674916.db2.gz TUGJXWHITJYJFA-NEPJUHHUSA-N 0 0 338.335 2.913 10 5 EFBERN Cc1nc(N2CC[C@H](c3ccc4cccnc4n3)C2)ncc1[N+](=O)[O-] ZINC001329363700 1330698811 /nfs/dbraw/zinc/69/88/11/1330698811.db2.gz MRKBSDRJNNZIMW-ZDUSSCGKSA-N 0 0 336.355 2.630 10 5 EFBERN CCc1nnc([C@@H](C)OC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH]1 ZINC001329431013 1330706571 /nfs/dbraw/zinc/70/65/71/1330706571.db2.gz XPARSDFJLFNAIC-MRVPVSSYSA-N 0 0 329.316 2.675 10 5 EFBERN COc1cc(N)c([N+](=O)[O-])cc1C(=O)OC[C@H](OC)C1CCCC1 ZINC001329451111 1330708483 /nfs/dbraw/zinc/70/84/83/1330708483.db2.gz UNFPEELXTZJDNZ-HNNXBMFYSA-N 0 0 338.360 2.548 10 5 EFBERN COCC1(C2CC2)CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001329590891 1330721627 /nfs/dbraw/zinc/72/16/27/1330721627.db2.gz XKXWPSVPPLNXFC-UKTHLTGXSA-N 0 0 330.384 2.883 10 5 EFBERN COC(=O)[C@@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC001329628515 1330725047 /nfs/dbraw/zinc/72/50/47/1330725047.db2.gz PQZQXHLLTQQHBV-SFHVURJKSA-N 0 0 342.351 2.773 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC001329633360 1330725409 /nfs/dbraw/zinc/72/54/09/1330725409.db2.gz ZRROWDQSXJDYGP-UHFFFAOYSA-N 0 0 342.355 2.868 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001329635728 1330725546 /nfs/dbraw/zinc/72/55/46/1330725546.db2.gz STEUSKVAUBDGIU-IRXDYDNUSA-N 0 0 341.367 2.636 10 5 EFBERN C[C@H]1CCc2nc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cn2C1 ZINC001329682676 1330728104 /nfs/dbraw/zinc/72/81/04/1330728104.db2.gz FSQNPCSDDUHBBW-LBPRGKRZSA-N 0 0 340.383 2.572 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001330899769 1330767961 /nfs/dbraw/zinc/76/79/61/1330767961.db2.gz GWVOGJAODJIYKY-GRYCIOLGSA-N 0 0 339.342 2.947 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](Cc2nccn2C)C1 ZINC001331257913 1330810900 /nfs/dbraw/zinc/81/09/00/1330810900.db2.gz RAQKHIWLBOGGSS-CQSZACIVSA-N 0 0 342.399 2.990 10 5 EFBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001331282619 1330815578 /nfs/dbraw/zinc/81/55/78/1330815578.db2.gz SAMHJIUIGYLGCG-DLBZAZTESA-N 0 0 343.383 2.665 10 5 EFBERN CC(C)[C@H](O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001331282623 1330815692 /nfs/dbraw/zinc/81/56/92/1330815692.db2.gz SAMHJIUIGYLGCG-IRXDYDNUSA-N 0 0 343.383 2.665 10 5 EFBERN Cc1ccc(COCC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001331388607 1330831085 /nfs/dbraw/zinc/83/10/85/1330831085.db2.gz RBBMMOZHKRHOSM-UHFFFAOYSA-N 0 0 326.352 2.962 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(F)F ZINC001331530461 1330848568 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O=C(N[C@@H]1CCCC[C@@H]1F)c1cc([N+](=O)[O-])ccc1SCCO ZINC001332169616 1330933180 /nfs/dbraw/zinc/93/31/80/1330933180.db2.gz OZCAHKALYRDQRH-QWHCGFSZSA-N 0 0 342.392 2.690 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001332185570 1330936612 /nfs/dbraw/zinc/93/66/12/1330936612.db2.gz CJGLPJLLKYCCCS-JPIPQLAVSA-N 0 0 348.424 2.615 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001332253804 1330948275 /nfs/dbraw/zinc/94/82/75/1330948275.db2.gz FPKXLSKHHUQHGR-ZDUSSCGKSA-N 0 0 327.340 2.813 10 5 EFBERN C[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332279517 1330951879 /nfs/dbraw/zinc/95/18/79/1330951879.db2.gz WDNXKLCBOWAONW-TZMCWYRMSA-N 0 0 340.395 2.810 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(F)(C3CC3)CC2)c1 ZINC001332336685 1330959398 /nfs/dbraw/zinc/95/93/98/1330959398.db2.gz KZZCPPNIHKQIBO-UHFFFAOYSA-N 0 0 342.392 2.639 10 5 EFBERN C[C@H](NC(=O)C(=O)N1CC[C@H]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001332616120 1330990999 /nfs/dbraw/zinc/99/09/99/1330990999.db2.gz WEXBROOQUGFSRE-LRDDRELGSA-N 0 0 345.399 2.563 10 5 EFBERN C[C@H](NC(=O)C(=O)N1CC[C@@H]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001332616118 1330991121 /nfs/dbraw/zinc/99/11/21/1330991121.db2.gz WEXBROOQUGFSRE-BLLLJJGKSA-N 0 0 345.399 2.563 10 5 EFBERN Cc1cc(C(=O)N2CCCc3ccnc(N(C)C)c32)ccc1[N+](=O)[O-] ZINC001332691341 1331003004 /nfs/dbraw/zinc/00/30/04/1331003004.db2.gz KSXJGEBOPZAZMS-UHFFFAOYSA-N 0 0 340.383 2.957 10 5 EFBERN Cc1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc([N+](=O)[O-])c1 ZINC001332708249 1331007199 /nfs/dbraw/zinc/00/71/99/1331007199.db2.gz PXGMVTGATZTEAW-URLYELCFSA-N 0 0 348.399 2.606 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC001332892642 1331035667 /nfs/dbraw/zinc/03/56/67/1331035667.db2.gz DPMBCZHKRSXLQG-ZDUSSCGKSA-N 0 0 333.388 2.716 10 5 EFBERN Cc1ccn([C@@H](C)Cc2nnc(COc3ccccc3[N+](=O)[O-])o2)n1 ZINC001333092705 1331077558 /nfs/dbraw/zinc/07/75/58/1331077558.db2.gz 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CC(=O)Nc1cncc(-c2nnc(-c3ccc([N+](=O)[O-])c(C)c3)o2)c1 ZINC001341705362 1332278351 /nfs/dbraw/zinc/27/83/51/1332278351.db2.gz PMHYNWFYSUAMNT-UHFFFAOYSA-N 0 0 339.311 2.974 10 5 EFBERN CC(C)CC(=O)N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC001343743981 1332375485 /nfs/dbraw/zinc/37/54/85/1332375485.db2.gz UQJPNINBWIQMGV-UHFFFAOYSA-N 0 0 342.399 2.838 10 5 EFBERN CO[C@]12CCC[C@@]1(COC(=O)c1cc(C)cc([N+](=O)[O-])c1)CCO2 ZINC001344316185 1332440755 /nfs/dbraw/zinc/44/07/55/1332440755.db2.gz VUTDAQXQKLUJKN-IRXDYDNUSA-N 0 0 335.356 2.993 10 5 EFBERN CO[C@@]12CCC[C@@]1(COC(=O)Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC001344314312 1332440805 /nfs/dbraw/zinc/44/08/05/1332440805.db2.gz DTFJFMKFPWVZKH-ZWKOTPCHSA-N 0 0 349.383 2.922 10 5 EFBERN C[C@@H](Cc1cnccn1)OC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001344750505 1332479911 /nfs/dbraw/zinc/47/99/11/1332479911.db2.gz PAYLCRGVNVYMBW-NSHDSACASA-N 0 0 333.319 2.631 10 5 EFBERN CC(C)OC1(C(=O)Oc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC001344938489 1332496322 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ZINC001360610850 1335944458 /nfs/dbraw/zinc/94/44/58/1335944458.db2.gz LECDSWCYFSLXAM-UHFFFAOYSA-N 0 0 325.246 2.939 10 5 EFBERN O=C(c1ccnc(-c2ccccn2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001360687493 1335944820 /nfs/dbraw/zinc/94/48/20/1335944820.db2.gz MAEYDYNTZOMOLH-UHFFFAOYSA-N 0 0 347.334 2.650 10 5 EFBERN C[C@H]1CCC[C@H](C)N(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001360662877 1335945096 /nfs/dbraw/zinc/94/50/96/1335945096.db2.gz BVMAXAHCKDDASM-STQMWFEESA-N 0 0 343.387 2.826 10 5 EFBERN CC1=NO[C@](C)(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001360726260 1335945786 /nfs/dbraw/zinc/94/57/86/1335945786.db2.gz OOBNJFARTZKXDS-HIFRSBDPSA-N 0 0 335.385 2.724 10 5 EFBERN COC(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc([N+](=O)[O-])c1 ZINC001436741263 1387288208 /nfs/dbraw/zinc/28/82/08/1387288208.db2.gz GLYHZANIDACSDO-MLGOLLRUSA-N 0 0 346.383 2.938 10 5 EFBERN C[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C1CCCCC1 ZINC001436972281 1387348064 /nfs/dbraw/zinc/34/80/64/1387348064.db2.gz 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ZINC001437522782 1387728027 /nfs/dbraw/zinc/72/80/27/1387728027.db2.gz IKDIMIGTKPGQFF-UHFFFAOYSA-N 0 0 338.327 2.712 10 5 EFBERN CCOc1cc(NC(=O)[C@@H](C)NC(=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC001437549619 1387754779 /nfs/dbraw/zinc/75/47/79/1387754779.db2.gz LDXZOQJSWMSSPV-LLVKDONJSA-N 0 0 349.387 2.627 10 5 EFBERN CCOc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001437553143 1387757641 /nfs/dbraw/zinc/75/76/41/1387757641.db2.gz JLNQMJQTIBEKDR-UHFFFAOYSA-N 0 0 325.321 2.768 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cn1 ZINC001437592704 1387802529 /nfs/dbraw/zinc/80/25/29/1387802529.db2.gz VFHBDHQGMOWJRZ-UHFFFAOYSA-N 0 0 342.355 2.923 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cc(Cl)cc(Cl)c1 ZINC001437602278 1387815345 /nfs/dbraw/zinc/81/53/45/1387815345.db2.gz IXDUSNYLCWJMHK-UHFFFAOYSA-N 0 0 343.170 2.805 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2cnc3ccnn3c2)ccc1[N+](=O)[O-] ZINC001437640809 1387876394 /nfs/dbraw/zinc/87/63/94/1387876394.db2.gz QOSPTBZQAHPNMT-UHFFFAOYSA-N 0 0 341.327 2.677 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2ccnn2c1 ZINC001437645402 1387885994 /nfs/dbraw/zinc/88/59/94/1387885994.db2.gz DDYWBGKPNSVSOK-UHFFFAOYSA-N 0 0 329.341 2.612 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCOC2 ZINC001437777862 1388054632 /nfs/dbraw/zinc/05/46/32/1388054632.db2.gz OLLJFQGQJIYBBZ-UHFFFAOYSA-N 0 0 328.324 2.928 10 5 EFBERN CNC(=O)c1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(OC)c1 ZINC001437875045 1388160470 /nfs/dbraw/zinc/16/04/70/1388160470.db2.gz RNCDHCFEQWAQPJ-UHFFFAOYSA-N 0 0 343.339 2.524 10 5 EFBERN COc1ccc(F)c(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC001437905923 1388203046 /nfs/dbraw/zinc/20/30/46/1388203046.db2.gz CALJIYTZWOLSCX-UHFFFAOYSA-N 0 0 340.257 2.951 10 5 EFBERN COc1ccc(CC(=O)Oc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC001438119208 1388364774 /nfs/dbraw/zinc/36/47/74/1388364774.db2.gz GHTCTCNCNQVVIZ-UHFFFAOYSA-N 0 0 329.308 2.686 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(F)c1F ZINC001438148911 1388383663 /nfs/dbraw/zinc/38/36/63/1388383663.db2.gz SLFUJLLKUDUDCH-UHFFFAOYSA-N 0 0 335.310 2.869 10 5 EFBERN COC(=O)c1oc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C ZINC001438245694 1388445307 /nfs/dbraw/zinc/44/53/07/1388445307.db2.gz BSAAVCGZAYNTLE-VMPITWQZSA-N 0 0 344.323 2.612 10 5 EFBERN Cc1c(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)cccc1[N+](=O)[O-] ZINC001438543623 1388664211 /nfs/dbraw/zinc/66/42/11/1388664211.db2.gz HQOAXNPCGOKCAF-LBPRGKRZSA-N 0 0 340.335 2.667 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1c2ccccc2CN1C ZINC001438570000 1388676142 /nfs/dbraw/zinc/67/61/42/1388676142.db2.gz CPJVXFRWUZZFRK-KRWDZBQOSA-N 0 0 343.358 2.959 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001438800864 1388823997 /nfs/dbraw/zinc/82/39/97/1388823997.db2.gz RCSXKKQQZJZYCF-QWHCGFSZSA-N 0 0 331.303 2.880 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@H](C)c1c(C)noc1C ZINC001438802150 1388824885 /nfs/dbraw/zinc/82/48/85/1388824885.db2.gz WQXJLDKBKNJSLQ-QMMMGPOBSA-N 0 0 334.332 2.736 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](c2nccs2)C1 ZINC001438880326 1388885729 /nfs/dbraw/zinc/88/57/29/1388885729.db2.gz FUDQZSXNLYUKAB-SECBINFHSA-N 0 0 348.340 2.589 10 5 EFBERN COc1cccc2[nH]c(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])nc21 ZINC001438985375 1388959566 /nfs/dbraw/zinc/95/95/66/1388959566.db2.gz RBBFQEISLYBHKB-UHFFFAOYSA-N 0 0 344.302 2.800 10 5 EFBERN O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001439119881 1389000636 /nfs/dbraw/zinc/00/06/36/1389000636.db2.gz WQILNQOCVYRRNH-UHFFFAOYSA-N 0 0 331.259 2.511 10 5 EFBERN C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc([N+](=O)[O-])cc1 ZINC001439211732 1389050207 /nfs/dbraw/zinc/05/02/07/1389050207.db2.gz FAQXKGVNRJRRIC-PXAZEXFGSA-N 0 0 339.351 2.965 10 5 EFBERN C[C@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccc([N+](=O)[O-])cc1 ZINC001439235069 1389064186 /nfs/dbraw/zinc/06/41/86/1389064186.db2.gz FAQXKGVNRJRRIC-YVEFUNNKSA-N 0 0 339.351 2.965 10 5 EFBERN COc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1OC ZINC001439241755 1389067556 /nfs/dbraw/zinc/06/75/56/1389067556.db2.gz AXPXBTISCXGODZ-UHFFFAOYSA-N 0 0 346.339 2.938 10 5 EFBERN Cc1ccc([S@](C)(=O)=NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001439748849 1389330878 /nfs/dbraw/zinc/33/08/78/1389330878.db2.gz XQZBOXVNSJMXCJ-DEOSSOPVSA-N 0 0 348.380 2.966 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCCCOc1cccc(F)c1 ZINC001439942170 1389360063 /nfs/dbraw/zinc/36/00/63/1389360063.db2.gz SPCQDMRQHJGBTK-UHFFFAOYSA-N 0 0 348.330 2.698 10 5 EFBERN O=C(Nc1ncc(Oc2ccccc2)cn1)c1ccc([N+](=O)[O-])cn1 ZINC001440163756 1389416472 /nfs/dbraw/zinc/41/64/72/1389416472.db2.gz IPSALEFMGWPHPW-UHFFFAOYSA-N 0 0 337.295 2.824 10 5 EFBERN O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001440186390 1389423151 /nfs/dbraw/zinc/42/31/51/1389423151.db2.gz RYRQSRSPZXIUGM-LLVKDONJSA-N 0 0 348.380 2.511 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1-c1nccs1 ZINC001440205587 1389436839 /nfs/dbraw/zinc/43/68/39/1389436839.db2.gz GXPICMTUQTZXOS-UHFFFAOYSA-N 0 0 329.341 2.554 10 5 EFBERN O=C(NCc1ccccn1)c1c(Br)cccc1[N+](=O)[O-] ZINC001440488269 1389692073 /nfs/dbraw/zinc/69/20/73/1389692073.db2.gz ZEOANTFQEFANEB-UHFFFAOYSA-N 0 0 336.145 2.682 10 5 EFBERN COc1cccc2c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cnn21 ZINC001440575709 1389757695 /nfs/dbraw/zinc/75/76/95/1389757695.db2.gz LZAMRLONQIDPDU-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN CC[C@H](F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440634452 1389787866 /nfs/dbraw/zinc/78/78/66/1389787866.db2.gz DFSOVIOTWWGUHM-VIFPVBQESA-N 0 0 337.273 2.890 10 5 EFBERN CCN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001440682823 1389815820 /nfs/dbraw/zinc/81/58/20/1389815820.db2.gz PIXQLJNYYNEFSX-UHFFFAOYSA-N 0 0 342.399 2.823 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N(Cc1ccccc1F)C1CC1 ZINC001440726930 1389846034 /nfs/dbraw/zinc/84/60/34/1389846034.db2.gz YROXINIYUHUKRJ-UHFFFAOYSA-N 0 0 338.726 2.915 10 5 EFBERN C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001441750304 1391413408 /nfs/dbraw/zinc/41/34/08/1391413408.db2.gz IZXUJFCKULERPM-LLVKDONJSA-N 0 0 337.339 2.871 10 5 EFBERN COc1ccccc1OCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001441881688 1391429266 /nfs/dbraw/zinc/42/92/66/1391429266.db2.gz BHAIIGYUHRKQHG-UHFFFAOYSA-N 0 0 348.330 2.894 10 5 EFBERN COc1ccc(CNC(=O)/C=C\c2ccc(C=O)cc2)cc1[N+](=O)[O-] ZINC001441926247 1391439942 /nfs/dbraw/zinc/43/99/42/1391439942.db2.gz DUFAZUZCSNSSKT-CLFYSBASSA-N 0 0 340.335 2.746 10 5 EFBERN C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001446620829 1391562016 /nfs/dbraw/zinc/56/20/16/1391562016.db2.gz VSIGZCVFIHAQMD-SECBINFHSA-N 0 0 333.369 2.630 10 5 EFBERN COc1ccc(NC(=O)c2cccc3oc(=O)[nH]c32)cc1[N+](=O)[O-] ZINC001446653798 1391570436 /nfs/dbraw/zinc/57/04/36/1391570436.db2.gz KYHTXKSMVTXXTD-UHFFFAOYSA-N 0 0 329.268 2.703 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](COc2ccccc2)C1 ZINC001446753026 1391596000 /nfs/dbraw/zinc/59/60/00/1391596000.db2.gz LIZVDIBYZLGIPM-ZDUSSCGKSA-N 0 0 341.367 2.718 10 5 EFBERN COc1ccc2c(c1)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])CCO2 ZINC001447452100 1391715979 /nfs/dbraw/zinc/71/59/79/1391715979.db2.gz NZTOCIVGLKLSET-CQSZACIVSA-N 0 0 346.314 2.996 10 5 EFBERN CC[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ncc[nH]1 ZINC001448160814 1391992059 /nfs/dbraw/zinc/99/20/59/1391992059.db2.gz RBKUMXOEPGGELQ-LBPRGKRZSA-N 0 0 340.343 2.589 10 5 EFBERN Cc1cc(C=O)c(O)c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001448229052 1392037125 /nfs/dbraw/zinc/03/71/25/1392037125.db2.gz KGTAZOTYHSRDCA-UHFFFAOYSA-N 0 0 342.351 2.736 10 5 EFBERN CC(=Cc1ccco1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001448552176 1392087162 /nfs/dbraw/zinc/08/71/62/1392087162.db2.gz MSWPYXCNURXYQN-YFHOEESVSA-N 0 0 326.312 2.784 10 5 EFBERN O=C(NCc1ccc(-c2nnco2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001448966368 1392202591 /nfs/dbraw/zinc/20/25/91/1392202591.db2.gz VLORCFMCLSFVPJ-UHFFFAOYSA-N 0 0 342.286 2.714 10 5 EFBERN Cc1ccc(F)c(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC001449676596 1392293722 /nfs/dbraw/zinc/29/37/22/1392293722.db2.gz APIBSSADWIKCBX-UHFFFAOYSA-N 0 0 335.310 2.736 10 5 EFBERN COc1c(OC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc2ccccc21 ZINC001449790025 1392377134 /nfs/dbraw/zinc/37/71/34/1392377134.db2.gz YCWJCIKCATUUPS-UHFFFAOYSA-N 0 0 339.307 2.953 10 5 EFBERN CCSc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC001450762963 1392738491 /nfs/dbraw/zinc/73/84/91/1392738491.db2.gz YROIPQKRCWWQHL-UHFFFAOYSA-N 0 0 332.385 2.614 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001452372951 1392898150 /nfs/dbraw/zinc/89/81/50/1392898150.db2.gz BYHOJWWORCJUFB-UHFFFAOYSA-N 0 0 337.238 2.711 10 5 EFBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001454438198 1393026581 /nfs/dbraw/zinc/02/65/81/1393026581.db2.gz FJRJMZQOQFHBBR-UHFFFAOYSA-N 0 0 342.670 2.554 10 5 EFBERN COc1ccc(C(=O)CNC(=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001454644542 1393081582 /nfs/dbraw/zinc/08/15/82/1393081582.db2.gz AKJNCVBUHNVRRQ-GFCCVEGCSA-N 0 0 342.351 2.706 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C=C(C)c2ccco2)cc1[N+](=O)[O-] ZINC001454646486 1393082034 /nfs/dbraw/zinc/08/20/34/1393082034.db2.gz LNIDLCGSBFYJNN-FLIBITNWSA-N 0 0 344.323 2.599 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C[C@@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC001454645750 1393082107 /nfs/dbraw/zinc/08/21/07/1393082107.db2.gz FVTFULZZMNWAJM-LLVKDONJSA-N 0 0 346.339 2.689 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)cc1[N+](=O)[O-] ZINC001454902478 1394378055 /nfs/dbraw/zinc/37/80/55/1394378055.db2.gz WOGAZNYZIQEGTL-QMTHXVAHSA-N 0 0 328.372 2.609 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cc(C(F)(F)F)n[nH]1 ZINC001455057015 1394539297 /nfs/dbraw/zinc/53/92/97/1394539297.db2.gz OGIXAEGPODLSAC-UHFFFAOYSA-N 0 0 342.277 2.884 10 5 EFBERN Cn1ccc(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC001455198350 1394577893 /nfs/dbraw/zinc/57/78/93/1394577893.db2.gz XNSWXAUFXDYKEK-UHFFFAOYSA-N 0 0 338.327 2.719 10 5 EFBERN Nc1c(C(=O)Nc2ccc(O)cc2O)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001455301601 1394589994 /nfs/dbraw/zinc/58/99/94/1394589994.db2.gz VKBAGCVLQIKDQS-UHFFFAOYSA-N 0 0 341.682 2.633 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)C)n[nH]1 ZINC001456336903 1394670264 /nfs/dbraw/zinc/67/02/64/1394670264.db2.gz SHWTVZPXAIZVNN-UHFFFAOYSA-N 0 0 346.343 2.752 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc(OC)c(C)c2)c1[N+](=O)[O-] ZINC001456527183 1394706713 /nfs/dbraw/zinc/70/67/13/1394706713.db2.gz YUEDPICQCWRCPK-SNVBAGLBSA-N 0 0 332.360 2.688 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2nncn2CC1 ZINC001456545237 1394711548 /nfs/dbraw/zinc/71/15/48/1394711548.db2.gz NJWKKPQIMYUEOD-JTQLQIEISA-N 0 0 349.778 2.739 10 5 EFBERN COc1coc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1=O ZINC001456547605 1394712832 /nfs/dbraw/zinc/71/28/32/1394712832.db2.gz SMRDBZAEAFYKJN-UHFFFAOYSA-N 0 0 338.703 2.771 10 5 EFBERN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001456870979 1394844011 /nfs/dbraw/zinc/84/40/11/1394844011.db2.gz UARVPMLHUYWENH-STQMWFEESA-N 0 0 345.403 2.789 10 5 EFBERN Cc1ncccc1CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001456918068 1394869075 /nfs/dbraw/zinc/86/90/75/1394869075.db2.gz SVCCWOFCKPSZOU-UHFFFAOYSA-N 0 0 334.763 2.506 10 5 EFBERN CN(C[C@H](O)c1cccnc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001456950837 1394885337 /nfs/dbraw/zinc/88/53/37/1394885337.db2.gz VVNBGGLBAKQVFV-AWEZNQCLSA-N 0 0 341.323 2.542 10 5 EFBERN Cc1c(Cl)cccc1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC001456980405 1394905220 /nfs/dbraw/zinc/90/52/20/1394905220.db2.gz ZGXRTNVTDVVGLM-UHFFFAOYSA-N 0 0 348.790 2.847 10 5 EFBERN Cc1cc(Cl)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC001457015627 1394923487 /nfs/dbraw/zinc/92/34/87/1394923487.db2.gz UAVBKRNTMYTXNT-GDBMZVCRSA-N 0 0 346.770 2.945 10 5 EFBERN Cc1cccc(C(=O)N[C@@H](CO)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC001457183023 1395024665 /nfs/dbraw/zinc/02/46/65/1395024665.db2.gz DBALAESUOQPYRV-AWEZNQCLSA-N 0 0 336.294 2.645 10 5 EFBERN Nc1c(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001457199564 1395027992 /nfs/dbraw/zinc/02/79/92/1395027992.db2.gz NZXZCTYAECARNF-ZIAGYGMSSA-N 0 0 325.368 2.786 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccccc2)CC1 ZINC001457215875 1395032783 /nfs/dbraw/zinc/03/27/83/1395032783.db2.gz NEBJKBLJAPBIRR-KRWDZBQOSA-N 0 0 341.367 2.781 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)/C=C/c2ccc(C(N)=O)o2)cc1[N+](=O)[O-] ZINC001457281836 1395053613 /nfs/dbraw/zinc/05/36/13/1395053613.db2.gz BXTFVQFKLVVXFF-IOCXFXADSA-N 0 0 344.323 2.913 10 5 EFBERN COC(=O)/C=C\[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001457281263 1395053868 /nfs/dbraw/zinc/05/38/68/1395053868.db2.gz VFZSUEWZWMQWOB-AVALRIAPSA-N 0 0 347.154 2.749 10 5 EFBERN Cc1nc(NC(=O)c2cnc3ccnn3c2C(F)F)ccc1[N+](=O)[O-] ZINC001457282448 1395053980 /nfs/dbraw/zinc/05/39/80/1395053980.db2.gz ADJQULIETWOBSC-UHFFFAOYSA-N 0 0 348.269 2.531 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001457415210 1395102738 /nfs/dbraw/zinc/10/27/38/1395102738.db2.gz XZAOKNNDNBQLCR-SNVBAGLBSA-N 0 0 336.344 2.858 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001457415201 1395103142 /nfs/dbraw/zinc/10/31/42/1395103142.db2.gz XZAOKNNDNBQLCR-JTQLQIEISA-N 0 0 336.344 2.858 10 5 EFBERN COc1cc(C(=O)Nc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC001457580006 1395228952 /nfs/dbraw/zinc/22/89/52/1395228952.db2.gz UVQQFZYAAUVAPW-UHFFFAOYSA-N 0 0 340.295 2.906 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC001457620985 1395250814 /nfs/dbraw/zinc/25/08/14/1395250814.db2.gz FPKZBMQFDKQIMA-UHFFFAOYSA-N 0 0 341.327 2.702 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ncc[nH]1 ZINC001457825961 1395349511 /nfs/dbraw/zinc/34/95/11/1395349511.db2.gz MRWYZLVTAYIOOI-LBPRGKRZSA-N 0 0 343.387 2.799 10 5 EFBERN COc1ccc(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001457976211 1395393425 /nfs/dbraw/zinc/39/34/25/1395393425.db2.gz URATYAXJOZCXAV-UHFFFAOYSA-N 0 0 335.747 2.624 10 5 EFBERN Cc1ncc(CC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)o1 ZINC001457996028 1395395578 /nfs/dbraw/zinc/39/55/78/1395395578.db2.gz NURUGFFVRBOPTP-UHFFFAOYSA-N 0 0 340.133 2.835 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cn2ccccc2n1 ZINC001458058109 1395401268 /nfs/dbraw/zinc/40/12/68/1395401268.db2.gz AZDACVRDDJNBJR-UHFFFAOYSA-N 0 0 340.265 2.607 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](O)c2ccco2)cc1C ZINC001458093738 1395406549 /nfs/dbraw/zinc/40/65/49/1395406549.db2.gz AUYNPFHOXYTVMO-CQSZACIVSA-N 0 0 334.328 2.818 10 5 EFBERN Cn1cc(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)cn1 ZINC001458108091 1395408546 /nfs/dbraw/zinc/40/85/46/1395408546.db2.gz VZUWISNYLQLVEN-UHFFFAOYSA-N 0 0 332.751 2.580 10 5 EFBERN C[C@@H]1CN(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC001458156143 1395416152 /nfs/dbraw/zinc/41/61/52/1395416152.db2.gz SYKOPPCEIWEOIA-SNVBAGLBSA-N 0 0 333.310 2.746 10 5 EFBERN NC(=O)CC[C@H]1CCCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001458158666 1395416474 /nfs/dbraw/zinc/41/64/74/1395416474.db2.gz YXGQKDFTAQIBNJ-LLVKDONJSA-N 0 0 346.362 2.764 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](O)CC(C)(C)C)c2c1 ZINC001458188602 1395421329 /nfs/dbraw/zinc/42/13/29/1395421329.db2.gz QMHUMVQPSHFHHV-NSHDSACASA-N 0 0 333.388 2.783 10 5 EFBERN Cn1c2ccccc2c(NCCNc2ccccc2)c([N+](=O)[O-])c1=O ZINC001458197874 1395423355 /nfs/dbraw/zinc/42/33/55/1395423355.db2.gz ODMJHRGLCMZSGT-UHFFFAOYSA-N 0 0 338.367 2.971 10 5 EFBERN O=c1ccn(-c2cc(SCc3ccccc3)ncn2)cc1[N+](=O)[O-] ZINC001458224413 1395427321 /nfs/dbraw/zinc/42/73/21/1395427321.db2.gz BHVLFZQNJPZHKZ-UHFFFAOYSA-N 0 0 340.364 2.828 10 5 EFBERN COc1ccc(NC(=O)c2ncn3ccc(C)cc23)cc1[N+](=O)[O-] ZINC001458227463 1395427979 /nfs/dbraw/zinc/42/79/79/1395427979.db2.gz UYGSTIBQGSGUEJ-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN COC(=O)C(C)(C)CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001458256702 1395432315 /nfs/dbraw/zinc/43/23/15/1395432315.db2.gz ULRUAKBHOMISKR-UHFFFAOYSA-N 0 0 337.763 2.829 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCOc2ncc(Cl)cc2Cl)n1 ZINC001458264572 1395433549 /nfs/dbraw/zinc/43/35/49/1395433549.db2.gz UMTYITJVJVPNSH-UHFFFAOYSA-N 0 0 332.147 2.521 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@@H]1CCC2(C1)OCCO2 ZINC001458287523 1395438644 /nfs/dbraw/zinc/43/86/44/1395438644.db2.gz PEXIIWGQVLEUJN-LLVKDONJSA-N 0 0 349.774 2.926 10 5 EFBERN COC(=O)c1ccnc(Oc2cc(F)cc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC001458313516 1395444617 /nfs/dbraw/zinc/44/46/17/1395444617.db2.gz AXUJFBRPGDZDME-UHFFFAOYSA-N 0 0 337.219 2.616 10 5 EFBERN C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])c1ncn(C)n1 ZINC001458318510 1395445862 /nfs/dbraw/zinc/44/58/62/1395445862.db2.gz ICMWIVCHICERKE-QMMMGPOBSA-N 0 0 332.751 2.520 10 5 EFBERN Cc1cnc(COC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)o1 ZINC001458320093 1395445900 /nfs/dbraw/zinc/44/59/00/1395445900.db2.gz YNYRKABJNIZVAE-UHFFFAOYSA-N 0 0 327.296 2.984 10 5 EFBERN COC(=O)c1nccc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC001458332035 1395447687 /nfs/dbraw/zinc/44/76/87/1395447687.db2.gz KXESIQDGZZXIAW-UHFFFAOYSA-N 0 0 326.268 2.512 10 5 EFBERN CC[C@H](C)[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])OC ZINC001458393903 1395458847 /nfs/dbraw/zinc/45/88/47/1395458847.db2.gz IOLUSUMVCUVFFA-ZUZCIYMTSA-N 0 0 348.359 2.946 10 5 EFBERN CC(=O)c1ccc(NC[C@@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001458400987 1395459859 /nfs/dbraw/zinc/45/98/59/1395459859.db2.gz LAAUOLSYBSOQRE-HNNXBMFYSA-N 0 0 332.331 2.952 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC001458399329 1395460192 /nfs/dbraw/zinc/46/01/92/1395460192.db2.gz JQWDEKOUYFBRAC-YOEHRIQHSA-N 0 0 348.399 2.899 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCc2cccnc21 ZINC001458421155 1395464253 /nfs/dbraw/zinc/46/42/53/1395464253.db2.gz KEQLXGYEFIHZFC-UHFFFAOYSA-N 0 0 335.722 2.914 10 5 EFBERN Nc1c(C(=O)N2CCc3cccnc32)cc2ccccc2c1[N+](=O)[O-] ZINC001458422346 1395464799 /nfs/dbraw/zinc/46/47/99/1395464799.db2.gz SXBVMRQLRCJYOZ-UHFFFAOYSA-N 0 0 334.335 2.928 10 5 EFBERN O=C1CC[C@@H](c2cccc(Nc3nc4sccn4c3[N+](=O)[O-])c2)N1 ZINC001458429451 1395465546 /nfs/dbraw/zinc/46/55/46/1395465546.db2.gz CFWRQSVFNCFMPX-NSHDSACASA-N 0 0 343.368 2.999 10 5 EFBERN NC(=O)c1cc(NCc2nc3cc(Cl)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC001458427156 1395465665 /nfs/dbraw/zinc/46/56/65/1395465665.db2.gz LSLQHYVJNBTCFR-UHFFFAOYSA-N 0 0 345.746 2.836 10 5 EFBERN COc1cc(F)cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001458429651 1395465970 /nfs/dbraw/zinc/46/59/70/1395465970.db2.gz ZEEPSRRBPQIKBC-SNVBAGLBSA-N 0 0 347.346 2.885 10 5 EFBERN CC(=O)c1ccc(Nc2cccc(O[C@@H]3CC(=O)N3)c2)c([N+](=O)[O-])c1 ZINC001458436684 1395467975 /nfs/dbraw/zinc/46/79/75/1395467975.db2.gz UARHJZNWWQFPNJ-QGZVFWFLSA-N 0 0 341.323 2.766 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2cccnc2)c(Br)c1 ZINC001458448908 1395471020 /nfs/dbraw/zinc/47/10/20/1395471020.db2.gz NBRUIJACWUYQHC-ZDUSSCGKSA-N 0 0 338.161 2.898 10 5 EFBERN C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])c1nccc(N)n1 ZINC001458453851 1395472569 /nfs/dbraw/zinc/47/25/69/1395472569.db2.gz DHYGEOPKTYOWPI-SSDOTTSWSA-N 0 0 338.165 2.903 10 5 EFBERN COc1cc(F)c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001458475952 1395477425 /nfs/dbraw/zinc/47/74/25/1395477425.db2.gz JTQKINHPHZIKKO-UHFFFAOYSA-N 0 0 336.294 2.854 10 5 EFBERN CN1C(=O)[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC001458481659 1395478472 /nfs/dbraw/zinc/47/84/72/1395478472.db2.gz NMLZNTAXMMZDFE-ZDUSSCGKSA-N 0 0 333.294 2.873 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccnc(-c2ccccc2)c1 ZINC001458480954 1395478912 /nfs/dbraw/zinc/47/89/12/1395478912.db2.gz UNUVQGXHALCOKX-UHFFFAOYSA-N 0 0 337.339 2.800 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Nc1cnn(CCF)c1 ZINC001458487811 1395480588 /nfs/dbraw/zinc/48/05/88/1395480588.db2.gz LEPNQOVVAPOAPI-UHFFFAOYSA-N 0 0 342.714 2.944 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@@H](O)C23CCC3)cc1C ZINC001458487014 1395480614 /nfs/dbraw/zinc/48/06/14/1395480614.db2.gz JYTJNBBREJZOTJ-HUUCEWRRSA-N 0 0 334.372 2.795 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@@H](O)C23CCC3)cc1C ZINC001458487020 1395481165 /nfs/dbraw/zinc/48/11/65/1395481165.db2.gz JYTJNBBREJZOTJ-LSDHHAIUSA-N 0 0 334.372 2.795 10 5 EFBERN COC(=O)c1oc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cc1C ZINC001458499241 1395482951 /nfs/dbraw/zinc/48/29/51/1395482951.db2.gz WQKXBHUMYCVVIW-UHFFFAOYSA-N 0 0 344.323 2.876 10 5 EFBERN COc1ncc(CCNc2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC001458518088 1395486900 /nfs/dbraw/zinc/48/69/00/1395486900.db2.gz RQZIZKMDVYARMT-UHFFFAOYSA-N 0 0 325.328 2.596 10 5 EFBERN Cc1nocc1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458527743 1395489877 /nfs/dbraw/zinc/48/98/77/1395489877.db2.gz GUJFBVUXJXOBLD-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN O=C1Nc2ccccc2C[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001458534601 1395491690 /nfs/dbraw/zinc/49/16/90/1395491690.db2.gz ZZMFBNOOFSRBLY-NSHDSACASA-N 0 0 341.352 2.575 10 5 EFBERN CCc1cc(N[C@H](CC)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458541585 1395493707 /nfs/dbraw/zinc/49/37/07/1395493707.db2.gz BUIQNNNHKOTAFL-GXTWGEPZSA-N 0 0 344.415 2.998 10 5 EFBERN CC[C@@H](OC(=O)c1ccn(CCOC)n1)c1cccc([N+](=O)[O-])c1 ZINC001458574108 1395506065 /nfs/dbraw/zinc/50/60/65/1395506065.db2.gz XKRPBCMOTKJHKW-OAHLLOKOSA-N 0 0 333.344 2.746 10 5 EFBERN NC(=O)c1cc(NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC001458581078 1395509074 /nfs/dbraw/zinc/50/90/74/1395509074.db2.gz OOKHMWSFTHCFDU-CABZTGNLSA-N 0 0 347.293 2.606 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H](O)c1cncs1 ZINC001458585995 1395511605 /nfs/dbraw/zinc/51/16/05/1395511605.db2.gz HIHBLKJNBNRFTQ-SNVBAGLBSA-N 0 0 344.190 2.959 10 5 EFBERN COC(=O)c1ccnc(NCc2nccc3c2CCCC3)c1[N+](=O)[O-] ZINC001458587437 1395512386 /nfs/dbraw/zinc/51/23/86/1395512386.db2.gz NIBLZCNUQRSQJQ-UHFFFAOYSA-N 0 0 342.355 2.662 10 5 EFBERN NC(=O)c1cc(NCC[C@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC001458592552 1395514483 /nfs/dbraw/zinc/51/44/83/1395514483.db2.gz JFEUGELPSUKEQP-BXKDBHETSA-N 0 0 347.293 2.606 10 5 EFBERN COC(=O)c1cc(C)nc(NCC[C@H]2CC(C)(C)CO2)c1[N+](=O)[O-] ZINC001458595725 1395515934 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EFBERN CCC(=O)c1ccc(N2CC[C@H](c3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001458653548 1395542089 /nfs/dbraw/zinc/54/20/89/1395542089.db2.gz YEQHBDSEJXSUFP-ZDUSSCGKSA-N 0 0 326.356 2.971 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCC(F)(F)C1(O)CCCCC1 ZINC001458700564 1395554144 /nfs/dbraw/zinc/55/41/44/1395554144.db2.gz FHJOMHTXTCNSQB-UHFFFAOYSA-N 0 0 335.738 2.808 10 5 EFBERN NC(=O)c1ccnc(NCCC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001458703114 1395555202 /nfs/dbraw/zinc/55/52/02/1395555202.db2.gz WDJYHPIDLZMQFN-UHFFFAOYSA-N 0 0 328.319 2.716 10 5 EFBERN O=[N+]([O-])c1ccc(Oc2cccnc2I)cn1 ZINC001458717199 1395561292 /nfs/dbraw/zinc/56/12/92/1395561292.db2.gz LDMOKVFROYOULJ-UHFFFAOYSA-N 0 0 343.080 2.782 10 5 EFBERN CC(C)(C)c1coc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC001458729755 1395564743 /nfs/dbraw/zinc/56/47/43/1395564743.db2.gz LCMWKDWHCGKCAH-UHFFFAOYSA-N 0 0 328.328 2.639 10 5 EFBERN COC(=O)c1ccc(OC(=O)c2ccc(C)c(C)n2)cc1[N+](=O)[O-] ZINC001458742431 1395569399 /nfs/dbraw/zinc/56/93/99/1395569399.db2.gz 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EFBERN COc1ccc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001469265352 1397016863 /nfs/dbraw/zinc/01/68/63/1397016863.db2.gz RJWXYWWDXVPBGT-WBVHZDCISA-N 0 0 330.315 2.971 10 5 EFBERN C[C@@H](c1ccccc1)n1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cn1 ZINC001469310592 1397021090 /nfs/dbraw/zinc/02/10/90/1397021090.db2.gz PEERRQSREQLAPQ-NSHDSACASA-N 0 0 325.328 2.981 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2ccc(C)cc12 ZINC001469379238 1397027349 /nfs/dbraw/zinc/02/73/49/1397027349.db2.gz LDZATSZOGMHKQX-UHFFFAOYSA-N 0 0 325.328 2.845 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CNC(C)=O)cc1 ZINC001469379662 1397027500 /nfs/dbraw/zinc/02/75/00/1397027500.db2.gz ZZDNYPMJVBKBIS-UHFFFAOYSA-N 0 0 342.355 2.525 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccn2)no1 ZINC001469377308 1397027528 /nfs/dbraw/zinc/02/75/28/1397027528.db2.gz KNOSZUUNTNCQLT-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cnccn2)cc1SC ZINC001469505947 1397033685 /nfs/dbraw/zinc/03/36/85/1397033685.db2.gz BOXMRFYAVNYCJN-VIFPVBQESA-N 0 0 348.384 2.606 10 5 EFBERN O=C(NC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001469515469 1397034337 /nfs/dbraw/zinc/03/43/37/1397034337.db2.gz NVFLLWWGVMMZKB-ZDUSSCGKSA-N 0 0 348.362 2.998 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H]1C(F)(F)F ZINC001469551730 1397037265 /nfs/dbraw/zinc/03/72/65/1397037265.db2.gz TVTMYSOZOYSDDV-NSHDSACASA-N 0 0 338.669 2.538 10 5 EFBERN O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001469605402 1397042423 /nfs/dbraw/zinc/04/24/23/1397042423.db2.gz LXJRXKYXUXSSFI-IRUJWGPZSA-N 0 0 344.289 2.911 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC001469618678 1397044624 /nfs/dbraw/zinc/04/46/24/1397044624.db2.gz QJRIRBYKZRBUKV-AWEZNQCLSA-N 0 0 337.395 2.845 10 5 EFBERN CSc1cccc(C(=O)NCc2cn(C3CCC3)nn2)c1[N+](=O)[O-] ZINC001469677094 1397048458 /nfs/dbraw/zinc/04/84/58/1397048458.db2.gz DKYHHBSZJWUTEH-UHFFFAOYSA-N 0 0 347.400 2.563 10 5 EFBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC001469750726 1397052933 /nfs/dbraw/zinc/05/29/33/1397052933.db2.gz BMGCIMZSFYCIGZ-APPDUMDISA-N 0 0 332.331 2.760 10 5 EFBERN CCc1cccc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC001469741017 1397053157 /nfs/dbraw/zinc/05/31/57/1397053157.db2.gz BSCALBNAXVKJEZ-UHFFFAOYSA-N 0 0 342.351 2.665 10 5 EFBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001469952431 1397060950 /nfs/dbraw/zinc/06/09/50/1397060950.db2.gz FORGFLULALWGDV-UHFFFAOYSA-N 0 0 327.271 2.828 10 5 EFBERN Cc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1C ZINC001469944788 1397060990 /nfs/dbraw/zinc/06/09/90/1397060990.db2.gz RZOWNESYTPYHHR-UHFFFAOYSA-N 0 0 331.347 2.905 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(O)Cc1ccccc1 ZINC001469974824 1397063312 /nfs/dbraw/zinc/06/33/12/1397063312.db2.gz ZWCZMDVWFONJAE-UHFFFAOYSA-N 0 0 341.327 2.572 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)o1 ZINC001470632391 1397105356 /nfs/dbraw/zinc/10/53/56/1397105356.db2.gz KTRFSHIVUJFGML-UHFFFAOYSA-N 0 0 327.699 2.801 10 5 EFBERN Cc1cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1F ZINC001471122657 1397142696 /nfs/dbraw/zinc/14/26/96/1397142696.db2.gz NUSQWBPVLIWLKF-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC001471238946 1397152579 /nfs/dbraw/zinc/15/25/79/1397152579.db2.gz HDVQBMNUUSGSHU-PWSUYJOCSA-N 0 0 345.359 2.546 10 5 EFBERN COC(=O)c1sccc1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001471242965 1397153802 /nfs/dbraw/zinc/15/38/02/1397153802.db2.gz NTXIBRCXBWNVJR-UHFFFAOYSA-N 0 0 334.353 2.681 10 5 EFBERN CC(=O)Nc1ccccc1CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001471242550 1397153853 /nfs/dbraw/zinc/15/38/53/1397153853.db2.gz JKOWYFDAUUTLLX-UHFFFAOYSA-N 0 0 341.367 2.721 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC001471322092 1397160113 /nfs/dbraw/zinc/16/01/13/1397160113.db2.gz PNNWUHDUXKULSA-FXAINCCUSA-N 0 0 349.309 2.657 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001471352976 1397164176 /nfs/dbraw/zinc/16/41/76/1397164176.db2.gz RNCUWENVHQDOTH-FCLUMBPUSA-N 0 0 345.399 2.660 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NC2([C@H]3CCCCO3)CCC2)c1[N+](=O)[O-] ZINC001471429875 1397171245 /nfs/dbraw/zinc/17/12/45/1397171245.db2.gz FMODVMGSJKPNJA-LLVKDONJSA-N 0 0 336.392 2.663 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1nc2c(cccc2F)[nH]1 ZINC001471500091 1397178942 /nfs/dbraw/zinc/17/89/42/1397178942.db2.gz ITVCHCZQHQRFEA-UHFFFAOYSA-N 0 0 346.293 2.608 10 5 EFBERN Cc1n[nH]c(C(=O)NCc2ccc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC001471686783 1397198407 /nfs/dbraw/zinc/19/84/07/1397198407.db2.gz VVICRACSRWWDLY-UHFFFAOYSA-N 0 0 334.279 2.637 10 5 EFBERN CC(C)(C)Oc1cccc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001471710702 1397200167 /nfs/dbraw/zinc/20/01/67/1397200167.db2.gz GHOSRGCMDWEEQW-UHFFFAOYSA-N 0 0 344.371 2.679 10 5 EFBERN O=C(NOc1ccccc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001471717433 1397200901 /nfs/dbraw/zinc/20/09/01/1397200901.db2.gz PWRUCGXKFVCYHI-UHFFFAOYSA-N 0 0 342.286 2.643 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](O)c1ccccc1 ZINC001471741258 1397203053 /nfs/dbraw/zinc/20/30/53/1397203053.db2.gz KFTZEENWMCGFBF-GOEBONIOSA-N 0 0 347.346 2.558 10 5 EFBERN COc1ccc(CC(=O)Nc2cnc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC001471782374 1397204943 /nfs/dbraw/zinc/20/49/43/1397204943.db2.gz BXRDQHMQYLSZNO-UHFFFAOYSA-N 0 0 326.312 2.613 10 5 EFBERN C[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001471800994 1397208990 /nfs/dbraw/zinc/20/89/90/1397208990.db2.gz VFIOAHNZPVDGTM-BGJPBQGDSA-N 0 0 332.381 2.823 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471819198 1397210962 /nfs/dbraw/zinc/21/09/62/1397210962.db2.gz QHSXFUYFXXZQIN-SAXRGWBVSA-N 0 0 342.399 2.812 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471819201 1397211265 /nfs/dbraw/zinc/21/12/65/1397211265.db2.gz QHSXFUYFXXZQIN-YXCITZCRSA-N 0 0 342.399 2.812 10 5 EFBERN CC(C)[C@@H]1C[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471818633 1397211349 /nfs/dbraw/zinc/21/13/49/1397211349.db2.gz GTFMZEFSIBIZRX-STQMWFEESA-N 0 0 330.388 2.812 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1c[nH]nc1C(F)(F)F ZINC001471840366 1397214570 /nfs/dbraw/zinc/21/45/70/1397214570.db2.gz QSJJLIIEQLOFOC-UHFFFAOYSA-N 0 0 332.213 2.657 10 5 EFBERN C[C@@H](COCC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001471973405 1397229654 /nfs/dbraw/zinc/22/96/54/1397229654.db2.gz LWPQOGMEDMRMAB-LBPRGKRZSA-N 0 0 335.404 2.892 10 5 EFBERN Cc1ccc(NCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc1 ZINC001472010349 1397233600 /nfs/dbraw/zinc/23/36/00/1397233600.db2.gz BNTWNYQKRVCEAO-UHFFFAOYSA-N 0 0 339.355 2.621 10 5 EFBERN O=C(NCc1cnn2c1CCCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001472066234 1397242885 /nfs/dbraw/zinc/24/28/85/1397242885.db2.gz WNCSJTRNOUJZQQ-UHFFFAOYSA-N 0 0 339.355 2.539 10 5 EFBERN CCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OC ZINC001472071860 1397243819 /nfs/dbraw/zinc/24/38/19/1397243819.db2.gz DRQDYQYAQAYIRC-JTQLQIEISA-N 0 0 342.779 2.591 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2cnc3n[nH]cc3c2)ccc1[N+](=O)[O-] ZINC001472089712 1397245354 /nfs/dbraw/zinc/24/53/54/1397245354.db2.gz DZMXGFIASWQXOL-UHFFFAOYSA-N 0 0 341.327 2.906 10 5 EFBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCc2ncccc21 ZINC001472095136 1397246071 /nfs/dbraw/zinc/24/60/71/1397246071.db2.gz GQCNJYWEURWQMH-UHFFFAOYSA-N 0 0 335.323 2.583 10 5 EFBERN Cc1oncc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001472096024 1397247284 /nfs/dbraw/zinc/24/72/84/1397247284.db2.gz MRUGVIZMQZCBAV-VIFPVBQESA-N 0 0 339.735 2.628 10 5 EFBERN Cc1cc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cc(C)n2)[nH]n1 ZINC001472104690 1397249776 /nfs/dbraw/zinc/24/97/76/1397249776.db2.gz VZRGKSXFMVLVMU-OAHLLOKOSA-N 0 0 329.360 2.697 10 5 EFBERN COc1c(F)nccc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001472267174 1397254051 /nfs/dbraw/zinc/25/40/51/1397254051.db2.gz FAYOJPFFDMYBPJ-UHFFFAOYSA-N 0 0 349.318 2.854 10 5 EFBERN O=C(NCc1ccccc1SC(F)(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC001472291372 1397255450 /nfs/dbraw/zinc/25/54/50/1397255450.db2.gz JUWMQALNKBTZFB-UHFFFAOYSA-N 0 0 346.290 2.860 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCCOCC3CC3)c2c1 ZINC001472644917 1397265256 /nfs/dbraw/zinc/26/52/56/1397265256.db2.gz SPSQGQSVAJYUQC-UHFFFAOYSA-N 0 0 331.372 2.802 10 5 EFBERN COC(=O)Cc1ccc(NCc2ccc(O)c(OC)c2)c([N+](=O)[O-])c1 ZINC001472654560 1397266355 /nfs/dbraw/zinc/26/63/55/1397266355.db2.gz HMMKLHWBTHYQAR-UHFFFAOYSA-N 0 0 346.339 2.637 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCOCC(F)(F)F)c2c1 ZINC001472652169 1397266689 /nfs/dbraw/zinc/26/66/89/1397266689.db2.gz ZWZDGVMYSCDFDF-UHFFFAOYSA-N 0 0 345.277 2.564 10 5 EFBERN COC(=O)c1ccnc(NCCc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC001472714173 1397267139 /nfs/dbraw/zinc/26/71/39/1397267139.db2.gz JKFLHALENIYBCE-UHFFFAOYSA-N 0 0 337.282 2.709 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCc3cscn3)c2c1 ZINC001472728334 1397268400 /nfs/dbraw/zinc/26/84/00/1397268400.db2.gz LNPCGUXVTJNZNW-UHFFFAOYSA-N 0 0 345.340 2.584 10 5 EFBERN NC(=O)c1cc(N2CCc3c(F)cc(F)cc3C2)ccc1[N+](=O)[O-] ZINC001472736895 1397268629 /nfs/dbraw/zinc/26/86/29/1397268629.db2.gz FEZOXXPOYGYVFD-UHFFFAOYSA-N 0 0 333.294 2.535 10 5 EFBERN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cccnc1[N+](=O)[O-] ZINC001472968849 1397275340 /nfs/dbraw/zinc/27/53/40/1397275340.db2.gz JBBYZLBGWBQEFM-UHFFFAOYSA-N 0 0 333.653 2.872 10 5 EFBERN Cc1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(Cl)n1 ZINC001472971430 1397275897 /nfs/dbraw/zinc/27/58/97/1397275897.db2.gz PJKXRLGBJIHQIM-UHFFFAOYSA-N 0 0 330.731 2.710 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1CN1C=Nc2ccccc2S1(=O)=O ZINC001472980306 1397276130 /nfs/dbraw/zinc/27/61/30/1397276130.db2.gz CCVLNQDEQQMZOM-UHFFFAOYSA-N 0 0 335.316 2.598 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cncc(Cl)c1 ZINC001473006889 1397277274 /nfs/dbraw/zinc/27/72/74/1397277274.db2.gz BFANNKQAQZBREW-UHFFFAOYSA-N 0 0 332.703 2.508 10 5 EFBERN Cc1cccc(OCCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)c1 ZINC001473026544 1397278686 /nfs/dbraw/zinc/27/86/86/1397278686.db2.gz GFYSWSKCRIVQSA-UHFFFAOYSA-N 0 0 341.323 2.799 10 5 EFBERN Cc1c(Br)cccc1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473036868 1397279273 /nfs/dbraw/zinc/27/92/73/1397279273.db2.gz ZKJGKVRBNLAQQG-UHFFFAOYSA-N 0 0 341.121 2.819 10 5 EFBERN O=[N+]([O-])c1cccc(N2CCN(CCOCc3ccccc3)CC2)c1 ZINC001473105284 1397282818 /nfs/dbraw/zinc/28/28/18/1397282818.db2.gz HYGIVOVXCZJTKD-UHFFFAOYSA-N 0 0 341.411 2.934 10 5 EFBERN Nc1nc(Br)ccc1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001473200254 1397289061 /nfs/dbraw/zinc/28/90/61/1397289061.db2.gz AKDANQVDBGQIMI-UHFFFAOYSA-N 0 0 349.188 2.850 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCC[C@@]3(CCOC3)O1)CC2 ZINC001473220161 1397290406 /nfs/dbraw/zinc/29/04/06/1397290406.db2.gz QXXQBZDFCPZMKU-ROUUACIJSA-N 0 0 332.400 2.681 10 5 EFBERN O=C(CCN1CCC[C@H]1c1ncccn1)Nc1ccccc1[N+](=O)[O-] ZINC001473659939 1397319277 /nfs/dbraw/zinc/31/92/77/1397319277.db2.gz LXZIQPIKMJBAFL-HNNXBMFYSA-N 0 0 341.371 2.551 10 5 EFBERN NC(=O)c1ccc(CN2CCc3cc(F)c(F)cc3C2)c([N+](=O)[O-])c1 ZINC001473756044 1397328395 /nfs/dbraw/zinc/32/83/95/1397328395.db2.gz VFJIOWSQDUOLBN-UHFFFAOYSA-N 0 0 347.321 2.530 10 5 EFBERN COC(=O)c1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC001473877586 1397342900 /nfs/dbraw/zinc/34/29/00/1397342900.db2.gz JMOJFUPIHXBBAR-UHFFFAOYSA-N 0 0 342.351 2.953 10 5 EFBERN Cc1noc(CN2CCCc3c4ncn(C)c4ccc32)c1[N+](=O)[O-] ZINC001473883934 1397343883 /nfs/dbraw/zinc/34/38/83/1397343883.db2.gz XVYAKCWXJVATDQ-UHFFFAOYSA-N 0 0 327.344 2.731 10 5 EFBERN COc1ccc(CN[C@@H](CO)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001473885386 1397344078 /nfs/dbraw/zinc/34/40/78/1397344078.db2.gz UTKQKVKVWFADGM-AWEZNQCLSA-N 0 0 338.310 2.705 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)c2cnoc2C2CC2)c1 ZINC001478265994 1397572599 /nfs/dbraw/zinc/57/25/99/1397572599.db2.gz WTNLWJWPALWWAE-UHFFFAOYSA-N 0 0 344.371 2.635 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC2(CCC2)O1 ZINC001478291366 1397573682 /nfs/dbraw/zinc/57/36/82/1397573682.db2.gz XFIBBRKGKLTOFK-CQSZACIVSA-N 0 0 349.387 2.504 10 5 EFBERN C[C@H](CNC(=O)NCC(C)(C)CCCO)c1ccccc1[N+](=O)[O-] ZINC001478322738 1397574945 /nfs/dbraw/zinc/57/49/45/1397574945.db2.gz SXBHMPRGZARTAB-CYBMUJFWSA-N 0 0 337.420 2.796 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC001479122739 1397610615 /nfs/dbraw/zinc/61/06/15/1397610615.db2.gz TWVFPGYFFGMMPV-OAHLLOKOSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1ccc(CNC(=O)N(C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001479122105 1397610756 /nfs/dbraw/zinc/61/07/56/1397610756.db2.gz LRSAUKPUFOYJJN-UHFFFAOYSA-N 0 0 329.356 2.950 10 5 EFBERN C[C@@H](NC(=O)N[C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001479296733 1397669745 /nfs/dbraw/zinc/66/97/45/1397669745.db2.gz KAPKXDOFOQPFPB-NVGVWMPQSA-N 0 0 347.415 2.752 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001479296606 1397669860 /nfs/dbraw/zinc/66/98/60/1397669860.db2.gz GHKQDOSLAGYKCL-WBMJQRKESA-N 0 0 335.404 2.896 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001479298286 1397670838 /nfs/dbraw/zinc/67/08/38/1397670838.db2.gz ZCMHSMSDRZYSQC-CXAGYDPISA-N 0 0 343.383 2.997 10 5 EFBERN CCN(CCCNC(=O)C(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001479831261 1397926338 /nfs/dbraw/zinc/92/63/38/1397926338.db2.gz MROGPDYDPWHAKK-UHFFFAOYSA-N 0 0 335.376 2.640 10 5 EFBERN Cc1[nH]ccc1C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001493361124 1398641741 /nfs/dbraw/zinc/64/17/41/1398641741.db2.gz MQINPLLZMBPUQG-UHFFFAOYSA-N 0 0 342.399 2.626 10 5 EFBERN O=C(CCC(F)(F)F)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001497553583 1401453354 /nfs/dbraw/zinc/45/33/54/1401453354.db2.gz XUYYTFPVGMNCQF-OWOJBTEDSA-N 0 0 345.321 2.699 10 5 EFBERN O=C(CCC(F)(F)F)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001497553584 1401453978 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O=C(Nc1cc(F)ccc1O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001556081667 1415052141 /nfs/dbraw/zinc/05/21/41/1415052141.db2.gz HACAUZNZSLNLKT-UHFFFAOYSA-N 0 0 342.286 2.878 10 5 EFBERN Cc1cccc(COCC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001556084168 1415052405 /nfs/dbraw/zinc/05/24/05/1415052405.db2.gz FDRCMCCBATWPLR-UHFFFAOYSA-N 0 0 340.339 2.935 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccnc(OC(F)F)c1 ZINC001556084342 1415052504 /nfs/dbraw/zinc/05/25/04/1415052504.db2.gz LLHTUIJUBFWUFI-UHFFFAOYSA-N 0 0 349.253 2.720 10 5 EFBERN O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001556084314 1415052768 /nfs/dbraw/zinc/05/27/68/1415052768.db2.gz KNIXRKIDOIXLMM-RISCZKNCSA-N 0 0 330.344 2.757 10 5 EFBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001556179643 1415057546 /nfs/dbraw/zinc/05/75/46/1415057546.db2.gz KPNQDYFYOINKRB-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN Nc1ncc(C(=O)NCc2ccc(C3CCC3)cc2)cc1[N+](=O)[O-] ZINC001556200947 1415059024 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O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc2n(n1)CCCC2 ZINC001556514594 1415073813 /nfs/dbraw/zinc/07/38/13/1415073813.db2.gz SHWALZLJVPPGEV-UHFFFAOYSA-N 0 0 334.763 2.962 10 5 EFBERN COc1cc(C)c(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c(C)c1C ZINC001556523664 1415073841 /nfs/dbraw/zinc/07/38/41/1415073841.db2.gz PIFIMMPTHUVVDS-UHFFFAOYSA-N 0 0 330.344 2.758 10 5 EFBERN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCn2nccc21 ZINC001556525178 1415074051 /nfs/dbraw/zinc/07/40/51/1415074051.db2.gz JQNQFJMHVGRGND-UHFFFAOYSA-N 0 0 345.117 2.898 10 5 EFBERN COc1ccc2cc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)ccc2c1 ZINC001556540179 1415074718 /nfs/dbraw/zinc/07/47/18/1415074718.db2.gz SPCXLQWVHAPXEQ-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN Cc1ccn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2)n1 ZINC001556553744 1415076238 /nfs/dbraw/zinc/07/62/38/1415076238.db2.gz PLPFKYMYWSARAJ-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1ccc2c[nH]nc2c1 ZINC001556575618 1415077059 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EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CSc2ccccc21 ZINC001556741033 1415085500 /nfs/dbraw/zinc/08/55/00/1415085500.db2.gz NEGSUQBOKKOQOQ-JTQLQIEISA-N 0 0 329.381 2.796 10 5 EFBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc2cccnc21 ZINC001556805473 1415089662 /nfs/dbraw/zinc/08/96/62/1415089662.db2.gz NALLDRHYVLNDOY-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN Nc1ccc(NC(=O)COc2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001556895186 1415093882 /nfs/dbraw/zinc/09/38/82/1415093882.db2.gz JVKDUGJQTQQQCK-UHFFFAOYSA-N 0 0 339.710 2.987 10 5 EFBERN Nc1ccc(NC(=O)CCC(=O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001556894382 1415093958 /nfs/dbraw/zinc/09/39/58/1415093958.db2.gz FHVJVGUPMGRUKD-UHFFFAOYSA-N 0 0 331.303 2.918 10 5 EFBERN C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC001556895510 1415094137 /nfs/dbraw/zinc/09/41/37/1415094137.db2.gz VTVCOLZXMNRMMS-SECBINFHSA-N 0 0 329.312 2.648 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cc(O)c(F)cc1F ZINC001556919497 1415094637 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331.328 2.720 10 5 EFBERN COc1cc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC001557128244 1415107200 /nfs/dbraw/zinc/10/72/00/1415107200.db2.gz NLDYNQHQPSUXRZ-WBVHZDCISA-N 0 0 330.315 2.971 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001557129145 1415107238 /nfs/dbraw/zinc/10/72/38/1415107238.db2.gz UFHSREPRARZVQQ-WBVHZDCISA-N 0 0 329.331 2.760 10 5 EFBERN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001557160555 1415109555 /nfs/dbraw/zinc/10/95/55/1415109555.db2.gz GCPGHMHCUJSDAY-ZUZCIYMTSA-N 0 0 333.319 2.664 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001557171085 1415110308 /nfs/dbraw/zinc/11/03/08/1415110308.db2.gz GIWOBOKRTYOJGQ-UHFFFAOYSA-N 0 0 340.343 2.777 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CC(=O)OC)c1 ZINC001557173300 1415110358 /nfs/dbraw/zinc/11/03/58/1415110358.db2.gz SJDTWBRLCMISEA-UHFFFAOYSA-N 0 0 343.339 2.604 10 5 EFBERN O=C(Nc1n[nH]cc1C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001557182083 1415110788 /nfs/dbraw/zinc/11/07/88/1415110788.db2.gz HUUDVWLVZYHUDQ-UHFFFAOYSA-N 0 0 338.327 2.633 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2c(c1)OCO2 ZINC001557206446 1415112368 /nfs/dbraw/zinc/11/23/68/1415112368.db2.gz ZICNSNTUKJVOSQ-UHFFFAOYSA-N 0 0 336.250 2.532 10 5 EFBERN CC(=O)Nc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC001557205784 1415112466 /nfs/dbraw/zinc/11/24/66/1415112466.db2.gz OTFBEVKTSKKORH-UHFFFAOYSA-N 0 0 349.293 2.761 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1c[nH]nc1Br ZINC001557216024 1415113495 /nfs/dbraw/zinc/11/34/95/1415113495.db2.gz UVYVFABIYUKNHB-UHFFFAOYSA-N 0 0 343.112 2.780 10 5 EFBERN C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cnccn1 ZINC001557230822 1415114782 /nfs/dbraw/zinc/11/47/82/1415114782.db2.gz ZWMJWVPPFUGGQY-QMMMGPOBSA-N 0 0 340.261 2.895 10 5 EFBERN CC(C)Nc1cccc(F)c1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001557255456 1415115844 /nfs/dbraw/zinc/11/58/44/1415115844.db2.gz VLZTYLMTTJLBKN-UHFFFAOYSA-N 0 0 334.307 2.907 10 5 EFBERN O=C(N[C@@H](Cc1ccccc1)c1ncon1)c1ccc([N+](=O)[O-])s1 ZINC001557269956 1415116362 /nfs/dbraw/zinc/11/63/62/1415116362.db2.gz LRXCHFCYGJUIAZ-NSHDSACASA-N 0 0 344.352 2.753 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001557271277 1415116479 /nfs/dbraw/zinc/11/64/79/1415116479.db2.gz POCSCLPKTLTUAH-IUPBHXKESA-N 0 0 342.754 2.614 10 5 EFBERN Cc1cc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)cc([N+](=O)[O-])c1 ZINC001557265570 1415116515 /nfs/dbraw/zinc/11/65/15/1415116515.db2.gz FLNVLAQNJCBKPA-ZDUSSCGKSA-N 0 0 349.412 2.947 10 5 EFBERN C[C@@](CO)(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC001557284718 1415117474 /nfs/dbraw/zinc/11/74/74/1415117474.db2.gz ZVKROOQPUVFLQE-SFHVURJKSA-N 0 0 339.351 2.714 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC001557343109 1415121487 /nfs/dbraw/zinc/12/14/87/1415121487.db2.gz ADKHKRANOBDQFE-RFAUZJTJSA-N 0 0 336.294 2.725 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(OC2CC2)c1F ZINC001557421550 1415124932 /nfs/dbraw/zinc/12/49/32/1415124932.db2.gz ULFSEDJUUJWULN-UHFFFAOYSA-N 0 0 345.330 2.787 10 5 EFBERN CN1CCc2c(NC(=O)c3ccc([N+](=O)[O-])cc3F)cccc2C1=O ZINC001557531408 1415130094 /nfs/dbraw/zinc/13/00/94/1415130094.db2.gz YHGQHUILWZEIDE-UHFFFAOYSA-N 0 0 343.314 2.614 10 5 EFBERN C[C@H]1c2ccccc2OCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001557572131 1415131997 /nfs/dbraw/zinc/13/19/97/1415131997.db2.gz FAPOJDVNXWNUIT-NSHDSACASA-N 0 0 327.340 2.773 10 5 EFBERN COC(=O)c1sc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1C ZINC001557720135 1415140339 /nfs/dbraw/zinc/14/03/39/1415140339.db2.gz IHJZNXFMEWJSKU-UHFFFAOYSA-N 0 0 349.368 2.802 10 5 EFBERN Cc1cc(C(=O)Nc2cccc3nsnc32)c(N)c([N+](=O)[O-])c1 ZINC001557731279 1415141115 /nfs/dbraw/zinc/14/11/15/1415141115.db2.gz AHPHLAUBOQJUQA-UHFFFAOYSA-N 0 0 329.341 2.742 10 5 EFBERN CC(C)(C)c1ccc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)o1 ZINC001557963691 1415153335 /nfs/dbraw/zinc/15/33/35/1415153335.db2.gz HFWGFJHJSQSZIM-UHFFFAOYSA-N 0 0 326.740 2.792 10 5 EFBERN CCC[C@H](C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001558141976 1415162070 /nfs/dbraw/zinc/16/20/70/1415162070.db2.gz KEVZCRMVGRBPKR-LBPRGKRZSA-N 0 0 336.392 2.659 10 5 EFBERN CC1(C)OC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccccc2)O1 ZINC001558182325 1415165011 /nfs/dbraw/zinc/16/50/11/1415165011.db2.gz BYTGOVFGWZRILS-IUODEOHRSA-N 0 0 346.339 2.810 10 5 EFBERN O=C(NOc1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001558226895 1415167076 /nfs/dbraw/zinc/16/70/76/1415167076.db2.gz OLXJYJBRXBRKEF-UHFFFAOYSA-N 0 0 348.286 2.619 10 5 EFBERN O=C(Nc1cccc2nc[nH]c(=O)c21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001558285450 1415169816 /nfs/dbraw/zinc/16/98/16/1415169816.db2.gz LYODPOLSDBRZCC-UHFFFAOYSA-N 0 0 328.259 2.635 10 5 EFBERN Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001558303046 1415171144 /nfs/dbraw/zinc/17/11/44/1415171144.db2.gz JVHBGNXSYVBGTH-WDEREUQCSA-N 0 0 330.388 2.991 10 5 EFBERN CC(C)CO[C@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001558316741 1415171775 /nfs/dbraw/zinc/17/17/75/1415171775.db2.gz ZHRHTSHXPMBBBW-GFCCVEGCSA-N 0 0 348.403 2.581 10 5 EFBERN CNc1c(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)cccc1[N+](=O)[O-] ZINC001558326145 1415172758 /nfs/dbraw/zinc/17/27/58/1415172758.db2.gz BHZZCFRSRNFUJW-WFASDCNBSA-N 0 0 345.330 2.838 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1c2ccccc2OC[C@@H]1F ZINC001558326941 1415172812 /nfs/dbraw/zinc/17/28/12/1415172812.db2.gz HWIQHFRQJDSPIW-BBRMVZONSA-N 0 0 348.305 2.864 10 5 EFBERN O=C(CCc1cc(Br)cs1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558335795 1415174387 /nfs/dbraw/zinc/17/43/87/1415174387.db2.gz MKQKWIFVYOUZBM-UHFFFAOYSA-N 0 0 345.178 2.713 10 5 EFBERN C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCOC2(CCC2)C1 ZINC001558416839 1415178966 /nfs/dbraw/zinc/17/89/66/1415178966.db2.gz PZJIHAQBKHZQBP-MRXNPFEDSA-N 0 0 333.388 2.646 10 5 EFBERN C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(F)c1 ZINC001558432692 1415179480 /nfs/dbraw/zinc/17/94/80/1415179480.db2.gz JFXQRCAYRDBDER-INIZCTEOSA-N 0 0 336.294 2.511 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(F)(F)OC(F)(F)C1 ZINC001558433659 1415179546 /nfs/dbraw/zinc/17/95/46/1415179546.db2.gz AYXNNGNEKLULTH-UHFFFAOYSA-N 0 0 336.241 2.870 10 5 EFBERN C[C@@H](COCC1CCCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001558456751 1415180785 /nfs/dbraw/zinc/18/07/85/1415180785.db2.gz WGADRSSQQRIXIV-LBPRGKRZSA-N 0 0 335.404 2.892 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N=[S@]1(=O)CCc2ccccc21 ZINC001558468104 1415181824 /nfs/dbraw/zinc/18/18/24/1415181824.db2.gz DWBDDZGMCKOCDH-DEOSSOPVSA-N 0 0 345.380 2.617 10 5 EFBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc2ccccc21 ZINC001558510414 1415184295 /nfs/dbraw/zinc/18/42/95/1415184295.db2.gz WZLKPCPPONFBCY-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN CCc1onc(C)c1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001558513480 1415184394 /nfs/dbraw/zinc/18/43/94/1415184394.db2.gz GHYWIUUKNXYTTD-UHFFFAOYSA-N 0 0 345.355 2.733 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(=O)[nH]2)cc1Cl ZINC001558517239 1415184859 /nfs/dbraw/zinc/18/48/59/1415184859.db2.gz YDCUPNIOYVVDDL-UHFFFAOYSA-N 0 0 335.747 2.929 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)C1 ZINC001558545304 1415187556 /nfs/dbraw/zinc/18/75/56/1415187556.db2.gz IUHQKUSCIZFYMH-QMMMGPOBSA-N 0 0 333.222 2.527 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1(C2(O)CCC2)CC1 ZINC001558609679 1415192599 /nfs/dbraw/zinc/19/25/99/1415192599.db2.gz SDPMBAJBZYUJIP-UHFFFAOYSA-N 0 0 338.791 2.602 10 5 EFBERN COc1cc(C(=O)NCC[C@@H]2CCCC[C@@H]2O)cc([N+](=O)[O-])c1C ZINC001558610148 1415192731 /nfs/dbraw/zinc/19/27/31/1415192731.db2.gz SCLZUAZDPVTMIT-WFASDCNBSA-N 0 0 336.388 2.583 10 5 EFBERN CCC[C@@H](O)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001558629468 1415193158 /nfs/dbraw/zinc/19/31/58/1415193158.db2.gz ALRNPFREVKWVAD-CMPLNLGQSA-N 0 0 344.795 2.683 10 5 EFBERN CCC[C@H](O)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001558629469 1415193504 /nfs/dbraw/zinc/19/35/04/1415193504.db2.gz ALRNPFREVKWVAD-JQWIXIFHSA-N 0 0 344.795 2.683 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OC(C)(C)C[C@@H]2O ZINC001558636009 1415193587 /nfs/dbraw/zinc/19/35/87/1415193587.db2.gz UCWWWFLNEUUWCI-AWEZNQCLSA-N 0 0 345.355 2.780 10 5 EFBERN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC001558669163 1415194147 /nfs/dbraw/zinc/19/41/47/1415194147.db2.gz FNKVMRBZGDORJR-MWLCHTKSSA-N 0 0 348.334 2.745 10 5 EFBERN O=C(N[C@H](CO)C(F)(F)F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001558679148 1415194817 /nfs/dbraw/zinc/19/48/17/1415194817.db2.gz FYNAXUDXTMJUIJ-SSDOTTSWSA-N 0 0 347.076 2.555 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001558696541 1415196307 /nfs/dbraw/zinc/19/63/07/1415196307.db2.gz LONZNFYHNHCWSC-HNNXBMFYSA-N 0 0 329.356 2.959 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001558785760 1415201899 /nfs/dbraw/zinc/20/18/99/1415201899.db2.gz MRJZKIQEKVKIRS-UHFFFAOYSA-N 0 0 336.311 2.908 10 5 EFBERN Cc1cccc(OCCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1C ZINC001558975687 1415215601 /nfs/dbraw/zinc/21/56/01/1415215601.db2.gz NIKJMSZMWJJMAF-UHFFFAOYSA-N 0 0 345.355 2.511 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Sc2ncn(-c3ccccc3)n2)cc1F ZINC001559061470 1415222145 /nfs/dbraw/zinc/22/21/45/1415222145.db2.gz KFHGEDDODACPJB-UHFFFAOYSA-N 0 0 346.343 2.958 10 5 EFBERN CN(CC(=O)Nc1ccccc1Cl)c1ncc([N+](=O)[O-])cc1F ZINC001559062586 1415222169 /nfs/dbraw/zinc/22/21/69/1415222169.db2.gz CZGRYACAJIGFOS-UHFFFAOYSA-N 0 0 338.726 2.857 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCc2ccc(N3CCCCC3)cc2)n1 ZINC001559068718 1415222539 /nfs/dbraw/zinc/22/25/39/1415222539.db2.gz LZWPOTBINDVEID-UHFFFAOYSA-N 0 0 329.404 2.973 10 5 EFBERN CCCNC(=O)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559077286 1415222720 /nfs/dbraw/zinc/22/27/20/1415222720.db2.gz LSWWKHQRQCEFDW-UHFFFAOYSA-N 0 0 336.779 2.547 10 5 EFBERN C[C@@H](CN1CCOCC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001559069554 1415223047 /nfs/dbraw/zinc/22/30/47/1415223047.db2.gz VGGVLAAHDPCWCP-JTQLQIEISA-N 0 0 333.310 2.746 10 5 EFBERN COc1ccc(CCNc2c(Cl)cncc2[N+](=O)[O-])c(OC)c1 ZINC001559085428 1415223287 /nfs/dbraw/zinc/22/32/87/1415223287.db2.gz LYRXONBAGJBPCI-UHFFFAOYSA-N 0 0 337.763 2.737 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001559097438 1415224028 /nfs/dbraw/zinc/22/40/28/1415224028.db2.gz YNZSLPGFFQTGQU-UHFFFAOYSA-N 0 0 348.750 2.686 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1Sc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC001559117355 1415225190 /nfs/dbraw/zinc/22/51/90/1415225190.db2.gz KMWGXUJWKWWRAZ-UHFFFAOYSA-N 0 0 338.299 2.543 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@]3(C)CCCC[C@H]3O)c2c1 ZINC001559128478 1415225575 /nfs/dbraw/zinc/22/55/75/1415225575.db2.gz WVMPPZSQSHGWTH-AEFFLSMTSA-N 0 0 345.399 2.927 10 5 EFBERN COC(=O)Cc1ccc(N(C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001559143097 1415226435 /nfs/dbraw/zinc/22/64/35/1415226435.db2.gz JWISYYJUIWTVKE-UHFFFAOYSA-N 0 0 330.340 2.652 10 5 EFBERN CCC(CC)(CNc1c2ccccc2ncc1[N+](=O)[O-])C(=O)OC ZINC001559147506 1415226619 /nfs/dbraw/zinc/22/66/19/1415226619.db2.gz ZCZWBSSOHWZYBK-UHFFFAOYSA-N 0 0 331.372 2.956 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N(C)CC(=O)OC(C)(C)C)c2c1 ZINC001559176979 1415228110 /nfs/dbraw/zinc/22/81/10/1415228110.db2.gz ASVBXFVOMSHERQ-UHFFFAOYSA-N 0 0 347.371 2.930 10 5 EFBERN CC[C@H]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001559201104 1415229379 /nfs/dbraw/zinc/22/93/79/1415229379.db2.gz JRZZTXMRZXCONQ-RYUDHWBXSA-N 0 0 341.433 2.871 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cn(C(C)C)nn2)cc1C ZINC001559200808 1415229498 /nfs/dbraw/zinc/22/94/98/1415229498.db2.gz ZLHYBZRUNHDINY-UHFFFAOYSA-N 0 0 347.375 2.864 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](C2)C3(F)F)c(Br)c1 ZINC001559208086 1415230025 /nfs/dbraw/zinc/23/00/25/1415230025.db2.gz UAQJTRSOJAQRSP-JGVFFNPUSA-N 0 0 334.120 2.844 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2NCc1nnc(-c2ccncc2)[nH]1 ZINC001559214296 1415230328 /nfs/dbraw/zinc/23/03/28/1415230328.db2.gz HFMZLOCFHIMKDX-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN CC[C@@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C(=O)OC ZINC001559222092 1415231018 /nfs/dbraw/zinc/23/10/18/1415231018.db2.gz JHTKLCNLZHDRNZ-VIFPVBQESA-N 0 0 337.763 2.829 10 5 EFBERN CCCOC(=O)C[C@@H](CNc1c([N+](=O)[O-])cnn1C)CC(C)C ZINC001559229390 1415231665 /nfs/dbraw/zinc/23/16/65/1415231665.db2.gz GRRGDOWBPRMVBM-LBPRGKRZSA-N 0 0 326.397 2.746 10 5 EFBERN C[C@H](O)[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1F ZINC001559227742 1415231898 /nfs/dbraw/zinc/23/18/98/1415231898.db2.gz BSDYTXUINIYKFX-HZMBPMFUSA-N 0 0 330.319 2.916 10 5 EFBERN CC(C)c1nc([C@H](CO)Nc2ncc([N+](=O)[O-])cc2F)cs1 ZINC001559226590 1415231916 /nfs/dbraw/zinc/23/19/16/1415231916.db2.gz YPWLRINFGUECMU-JTQLQIEISA-N 0 0 326.353 2.854 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCC3(CO)CCCC3)c2c1 ZINC001559237403 1415232752 /nfs/dbraw/zinc/23/27/52/1415232752.db2.gz NUBDXQUQCIZLJV-UHFFFAOYSA-N 0 0 331.372 2.538 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC001559259455 1415234055 /nfs/dbraw/zinc/23/40/55/1415234055.db2.gz YCFVTDCEFUSQLV-AOOOYVTPSA-N 0 0 340.355 2.844 10 5 EFBERN COC(=O)[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001559269190 1415234831 /nfs/dbraw/zinc/23/48/31/1415234831.db2.gz MESHRAQNMOLXSR-SJCJKPOMSA-N 0 0 349.387 2.557 10 5 EFBERN CCOc1cc(NCCc2ccc(O)c(CO)c2)ccc1[N+](=O)[O-] ZINC001559270075 1415234930 /nfs/dbraw/zinc/23/49/30/1415234930.db2.gz BHKAVHWWMROQGS-UHFFFAOYSA-N 0 0 332.356 2.846 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CCC4(CCOCC4)CO3)nc2c1 ZINC001559269756 1415234936 /nfs/dbraw/zinc/23/49/36/1415234936.db2.gz MQXMMBLUPCRGHQ-ZDUSSCGKSA-N 0 0 346.387 2.859 10 5 EFBERN CCS(=O)(=O)c1ccccc1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001559275951 1415235731 /nfs/dbraw/zinc/23/57/31/1415235731.db2.gz ASGKOQGLWUVEDS-UHFFFAOYSA-N 0 0 349.412 2.746 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](O)Cc1ccccc1F ZINC001559281400 1415236389 /nfs/dbraw/zinc/23/63/89/1415236389.db2.gz SFYSUURBOVDPPF-ZDUSSCGKSA-N 0 0 341.342 2.720 10 5 EFBERN CC(=O)c1ccc(N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001559283061 1415236616 /nfs/dbraw/zinc/23/66/16/1415236616.db2.gz SJGATFPZLCWEBU-CXAGYDPISA-N 0 0 347.371 2.512 10 5 EFBERN CCC(=O)c1ccc(N[C@@H]2C(=O)NCC2(CC)CC)c([N+](=O)[O-])c1 ZINC001559288652 1415237108 /nfs/dbraw/zinc/23/71/08/1415237108.db2.gz MPJGKGKTDIDVLH-OAHLLOKOSA-N 0 0 333.388 2.904 10 5 EFBERN CCc1onc(C)c1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC001559287331 1415237216 /nfs/dbraw/zinc/23/72/16/1415237216.db2.gz MWYQUMHJMRTMQD-UHFFFAOYSA-N 0 0 333.344 2.781 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](c3cnccn3)C1)CCCC2 ZINC001559287981 1415237328 /nfs/dbraw/zinc/23/73/28/1415237328.db2.gz KZMDYYJWCCMLAL-CYBMUJFWSA-N 0 0 325.372 2.653 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCNc2ccc(C)cn2)c1 ZINC001559286878 1415237577 /nfs/dbraw/zinc/23/75/77/1415237577.db2.gz TZESWNUYCZMFHO-UHFFFAOYSA-N 0 0 330.344 2.609 10 5 EFBERN Cc1cc(NCCCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC001559299672 1415238155 /nfs/dbraw/zinc/23/81/55/1415238155.db2.gz NMOKFLPNHPQIQE-UHFFFAOYSA-N 0 0 349.412 2.595 10 5 EFBERN CCOC(OCC)[C@@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001559305982 1415238757 /nfs/dbraw/zinc/23/87/57/1415238757.db2.gz DERBSHSLFJRLGQ-SNVBAGLBSA-N 0 0 326.349 2.581 10 5 EFBERN CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccsc1[N+](=O)[O-])C2 ZINC001559303978 1415239021 /nfs/dbraw/zinc/23/90/21/1415239021.db2.gz KJBDDNVWOTXCIB-UHFFFAOYSA-N 0 0 325.390 2.713 10 5 EFBERN COc1ccc(OCc2noc(-c3cncc(C)c3)n2)c([N+](=O)[O-])c1 ZINC001559324607 1415239876 /nfs/dbraw/zinc/23/98/76/1415239876.db2.gz ZIWMGPNTLXHGNQ-UHFFFAOYSA-N 0 0 342.311 2.936 10 5 EFBERN Cc1ccc(CN2C(=O)Nc3ccccc3S2(=O)=O)cc1[N+](=O)[O-] ZINC001559379147 1415242049 /nfs/dbraw/zinc/24/20/49/1415242049.db2.gz FXOLMQBXPQYSAE-UHFFFAOYSA-N 0 0 347.352 2.640 10 5 EFBERN Cc1nsc2ncn(Cc3ccc(Cl)cc3[N+](=O)[O-])c(=O)c12 ZINC001559404551 1415243399 /nfs/dbraw/zinc/24/33/99/1415243399.db2.gz PMDPBGMHEIXLIB-UHFFFAOYSA-N 0 0 336.760 2.771 10 5 EFBERN COc1ccccc1OCCn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001559440856 1415245673 /nfs/dbraw/zinc/24/56/73/1415245673.db2.gz UOKHEPMGLBYRFR-UHFFFAOYSA-N 0 0 340.339 2.941 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1ccccn1 ZINC001559445670 1415246349 /nfs/dbraw/zinc/24/63/49/1415246349.db2.gz IZSFKDXTYBQPPK-UHFFFAOYSA-N 0 0 333.369 2.870 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2csc(-c3ccco3)n2)c1=O ZINC001559448592 1415246591 /nfs/dbraw/zinc/24/65/91/1415246591.db2.gz HWMRCXHHLKEYNI-UHFFFAOYSA-N 0 0 333.325 2.530 10 5 EFBERN O=[N+]([O-])c1ccccc1CN(CC[S@](=O)C(F)(F)F)C1CC1 ZINC001559666039 1415252735 /nfs/dbraw/zinc/25/27/35/1415252735.db2.gz XDOUSRIASOGTHC-QFIPXVFZSA-N 0 0 336.335 2.828 10 5 EFBERN C[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1 ZINC001559742749 1415254558 /nfs/dbraw/zinc/25/45/58/1415254558.db2.gz VCRMKEBRMHWWAF-NSHDSACASA-N 0 0 325.328 2.891 10 5 EFBERN CCOC(=O)[C@]1(F)CN(Cc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001559990725 1415259630 /nfs/dbraw/zinc/25/96/30/1415259630.db2.gz WLCULNHKWBAZIP-QGZVFWFLSA-N 0 0 336.363 2.852 10 5 EFBERN Cc1cc(N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)n[nH]1 ZINC001560086019 1415263005 /nfs/dbraw/zinc/26/30/05/1415263005.db2.gz SFRVODHNAOIBGQ-UHFFFAOYSA-N 0 0 348.750 2.966 10 5 EFBERN COC(=O)c1ccc2c(c1)OCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001560216009 1415268203 /nfs/dbraw/zinc/26/82/03/1415268203.db2.gz RLMSYAQRQLTXRO-UHFFFAOYSA-N 0 0 342.351 2.776 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@@H](CO)c2cc(F)ccc2F)cc1F ZINC001560224635 1415268377 /nfs/dbraw/zinc/26/83/77/1415268377.db2.gz BHZRIYZEUWBQKR-AWEZNQCLSA-N 0 0 326.274 2.835 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H](C(C)(C)C)CC1 ZINC001560235849 1415269939 /nfs/dbraw/zinc/26/99/39/1415269939.db2.gz XLAYROQWSPRCOK-INIZCTEOSA-N 0 0 349.431 2.979 10 5 EFBERN C=Cc1ccc(S(=O)(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC001561151175 1415309588 /nfs/dbraw/zinc/30/95/88/1415309588.db2.gz MAPIYHPGHBXSMY-UHFFFAOYSA-N 0 0 348.380 2.725 10 5 EFBERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC001564432046 1415377886 /nfs/dbraw/zinc/37/78/86/1415377886.db2.gz SACUWLKHENJRRC-TUKIKUTGSA-N 0 0 335.404 2.762 10 5 EFBERN CC(C)(C)[C@H]1CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001564658680 1415380241 /nfs/dbraw/zinc/38/02/41/1415380241.db2.gz ODFRLEAWHSWSGU-CYBMUJFWSA-N 0 0 331.376 2.801 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@]12C[C@H]1CCCC2 ZINC001564658753 1415380728 /nfs/dbraw/zinc/38/07/28/1415380728.db2.gz QPGNJNHQLGZNDC-DIFFPNOSSA-N 0 0 343.387 2.851 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc[nH]c1=O ZINC001565161661 1415390980 /nfs/dbraw/zinc/39/09/80/1415390980.db2.gz WGRYUNKMQIVWRZ-UHFFFAOYSA-N 0 0 344.371 2.816 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC001565213924 1415391869 /nfs/dbraw/zinc/39/18/69/1415391869.db2.gz DUWLCJFOCWRFIK-GOSISDBHSA-N 0 0 343.383 2.610 10 5 EFBERN C[C@@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001565338339 1415393132 /nfs/dbraw/zinc/39/31/32/1415393132.db2.gz YFVQOJWEJPMBMM-TZMCWYRMSA-N 0 0 343.387 2.968 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1CC(C)(C)CC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001565298099 1415393318 /nfs/dbraw/zinc/39/33/18/1415393318.db2.gz YTGALWAFVROJMF-UXIGCNINSA-N 0 0 335.404 2.895 10 5 EFBERN C[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC001565338069 1415393496 /nfs/dbraw/zinc/39/34/96/1415393496.db2.gz OEVYEJQKMRPNJP-NVGVWMPQSA-N 0 0 341.367 2.613 10 5 EFBERN C[C@H](CNC(=O)NC[C@@]1(O)CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001565410765 1415395100 /nfs/dbraw/zinc/39/51/00/1415395100.db2.gz AMXZRISKZRZITG-IGCXYCKISA-N 0 0 335.404 2.549 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001565465615 1415396197 /nfs/dbraw/zinc/39/61/97/1415396197.db2.gz XULKJYGDVASFBH-HUUCEWRRSA-N 0 0 344.415 2.781 10 5 EFBERN Cc1cc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)oc1C ZINC001565501679 1415399541 /nfs/dbraw/zinc/39/95/41/1415399541.db2.gz GVWQNWKNLFJTKW-UHFFFAOYSA-N 0 0 343.383 2.763 10 5 EFBERN Cc1cc(C(=O)Nc2n[nH]c3ccc(F)cc32)c(N)c([N+](=O)[O-])c1 ZINC001565578792 1415404217 /nfs/dbraw/zinc/40/42/17/1415404217.db2.gz UQFSCVMMIRNQIE-UHFFFAOYSA-N 0 0 329.291 2.753 10 5 EFBERN CC(C)(CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001565600782 1415406372 /nfs/dbraw/zinc/40/63/72/1415406372.db2.gz UQRLZMAZUPXHCT-UHFFFAOYSA-N 0 0 340.742 2.818 10 5 EFBERN C[C@@H](CC(N)=O)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001565717182 1415412515 /nfs/dbraw/zinc/41/25/15/1415412515.db2.gz QJUYIRYEXYBLRA-NSHDSACASA-N 0 0 343.339 2.837 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCc2c1cccc2O ZINC001565755693 1415413925 /nfs/dbraw/zinc/41/39/25/1415413925.db2.gz YFVOOJHHTXXWEB-CQSZACIVSA-N 0 0 330.315 2.786 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2ccn(CC(F)F)n2)cc1[N+](=O)[O-] ZINC001566214038 1415535429 /nfs/dbraw/zinc/53/54/29/1415535429.db2.gz RIWDQZFBZCEUIP-UHFFFAOYSA-N 0 0 345.693 2.544 10 5 EFBERN C[C@](CO)(NC(=O)c1ccc(C(F)F)o1)c1cccc([N+](=O)[O-])c1 ZINC001587297182 1415536553 /nfs/dbraw/zinc/53/65/53/1415536553.db2.gz SZLHQAKQVKNPEY-OAHLLOKOSA-N 0 0 340.282 2.763 10 5 EFBERN C[C@@](CO)(NC(=O)c1ccc(C(F)F)o1)c1cccc([N+](=O)[O-])c1 ZINC001587297180 1415536854 /nfs/dbraw/zinc/53/68/54/1415536854.db2.gz SZLHQAKQVKNPEY-HNNXBMFYSA-N 0 0 340.282 2.763 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc(C)nc1C ZINC001566267598 1415537398 /nfs/dbraw/zinc/53/73/98/1415537398.db2.gz DOFZERAWOOOAKS-UHFFFAOYSA-N 0 0 346.318 2.956 10 5 EFBERN Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1-c1ncco1 ZINC001566283861 1415538349 /nfs/dbraw/zinc/53/83/49/1415538349.db2.gz NJSBSMPSZKKYSR-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC001566297929 1415538956 /nfs/dbraw/zinc/53/89/56/1415538956.db2.gz UCHNGJXGNULZHG-UHFFFAOYSA-N 0 0 341.795 2.503 10 5 EFBERN CC(C)C[C@H](CCO)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001566306213 1415539493 /nfs/dbraw/zinc/53/94/93/1415539493.db2.gz DERNCLKCXWNMGF-ZDUSSCGKSA-N 0 0 342.823 2.952 10 5 EFBERN O=C(Nc1cccc(OCCF)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001566313893 1415539620 /nfs/dbraw/zinc/53/96/20/1415539620.db2.gz UBCJQFZJPMINKK-HNNXBMFYSA-N 0 0 334.303 2.615 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H](CO)c1ccccc1 ZINC001566309156 1415539689 /nfs/dbraw/zinc/53/96/89/1415539689.db2.gz NWQISQJYJFQPIC-HNNXBMFYSA-N 0 0 332.331 2.516 10 5 EFBERN COc1ccc([C@@H](O)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001566332331 1415541065 /nfs/dbraw/zinc/54/10/65/1415541065.db2.gz CQHQYKCCATVBHF-INIZCTEOSA-N 0 0 344.367 2.684 10 5 EFBERN COc1cccc([C@H](O)CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001566337830 1415541627 /nfs/dbraw/zinc/54/16/27/1415541627.db2.gz CYYALVWOHRNCKK-MRXNPFEDSA-N 0 0 344.367 2.684 10 5 EFBERN CC[C@@H](NC(=O)c1cnc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC001566438268 1415546478 /nfs/dbraw/zinc/54/64/78/1415546478.db2.gz QQEDFORREQHCAR-CYBMUJFWSA-N 0 0 325.328 2.747 10 5 EFBERN O=C(C[C@H]1CCCC[C@@H]1O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001566927947 1415852002 /nfs/dbraw/zinc/85/20/02/1415852002.db2.gz PILDMWXXRROEMN-DOMZBBRYSA-N 0 0 340.807 2.848 10 5 EFBERN COc1ccc([C@H](CO)N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001566969475 1415881812 /nfs/dbraw/zinc/88/18/12/1415881812.db2.gz LACPMQMNKTVXGT-KRWDZBQOSA-N 0 0 344.367 2.717 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc2[C@H]1CO ZINC001567078235 1415926005 /nfs/dbraw/zinc/92/60/05/1415926005.db2.gz PJAPHLUBJODDHH-MRXNPFEDSA-N 0 0 346.770 2.980 10 5 EFBERN CC(=O)Nc1cc(F)ccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001567173436 1415969649 /nfs/dbraw/zinc/96/96/49/1415969649.db2.gz AOLFWAPLNSDFTG-UHFFFAOYSA-N 0 0 345.330 2.665 10 5 EFBERN CC(C)=C(C)CC(=O)NCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001567296802 1416060907 /nfs/dbraw/zinc/06/09/07/1416060907.db2.gz ACFPCSWWXVUNAZ-UHFFFAOYSA-N 0 0 325.434 2.951 10 5 EFBERN CCN(CCNC(=O)C(C)(C)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001567342850 1416082953 /nfs/dbraw/zinc/08/29/53/1416082953.db2.gz XSSSLMRRIMVLSG-UHFFFAOYSA-N 0 0 333.432 2.969 10 5 EFBERN CCCN(CCNC(=O)c1ccco1)Cc1csc([N+](=O)[O-])c1 ZINC001567421796 1416130975 /nfs/dbraw/zinc/13/09/75/1416130975.db2.gz DOZSSFRFIDUCBL-UHFFFAOYSA-N 0 0 337.401 2.891 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn2ccccc12 ZINC001587299427 1416132450 /nfs/dbraw/zinc/13/24/50/1416132450.db2.gz HYZYXVMSKNYDCW-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC001567936038 1416331742 /nfs/dbraw/zinc/33/17/42/1416331742.db2.gz SSFHIKBWQKGYRU-UHFFFAOYSA-N 0 0 346.314 2.759 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CO)[C@H]1C ZINC001568203464 1416440334 /nfs/dbraw/zinc/44/03/34/1416440334.db2.gz FKDCKDREDPHXMC-NEPJUHHUSA-N 0 0 338.429 2.940 10 5 EFBERN Cc1cc(Cl)nc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001568236144 1416451146 /nfs/dbraw/zinc/45/11/46/1416451146.db2.gz CHJVWLBURQRETE-UHFFFAOYSA-N 0 0 345.746 2.758 10 5 EFBERN COc1ccccc1CONC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001568248838 1416454980 /nfs/dbraw/zinc/45/49/80/1416454980.db2.gz CWEPFKRQGKZCDD-UHFFFAOYSA-N 0 0 334.303 2.913 10 5 EFBERN O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001568292798 1416467728 /nfs/dbraw/zinc/46/77/28/1416467728.db2.gz SZKPOQDMWVGUFB-UHFFFAOYSA-N 0 0 345.265 2.910 10 5 EFBERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001568372502 1416497291 /nfs/dbraw/zinc/49/72/91/1416497291.db2.gz CEZWPXLXHFAHED-UMPQAUOISA-N 0 0 347.415 2.579 10 5 EFBERN C[C@H](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC001568391689 1416510093 /nfs/dbraw/zinc/51/00/93/1416510093.db2.gz ZVVKPGFEIGKPJP-LLVKDONJSA-N 0 0 343.387 2.502 10 5 EFBERN CC1(C)CC[C@@H](CO)N(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001646102504 1416613136 /nfs/dbraw/zinc/61/31/36/1416613136.db2.gz KYFXXDWNHHKMQE-LBPRGKRZSA-N 0 0 340.807 2.800 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@]12C[C@H]1CCC2 ZINC001646210071 1416632598 /nfs/dbraw/zinc/63/25/98/1416632598.db2.gz XEMVIFDODBDKRT-HWPZZCPQSA-N 0 0 335.335 2.612 10 5 EFBERN Cc1ccc(NC(=O)c2n[nH]c3c2C[C@H](C)CC3)c(N)c1[N+](=O)[O-] ZINC001646258393 1416638869 /nfs/dbraw/zinc/63/88/69/1416638869.db2.gz COXYWIGSZLNHQZ-MRVPVSSYSA-N 0 0 329.360 2.586 10 5 EFBERN Cc1ccc(NCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC001646256027 1416639069 /nfs/dbraw/zinc/63/90/69/1416639069.db2.gz PTQFOZNHWUXDEW-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001646254738 1416639085 /nfs/dbraw/zinc/63/90/85/1416639085.db2.gz BURWKNXIHUCXRS-NSHDSACASA-N 0 0 340.339 2.550 10 5 EFBERN Cc1ccc(NC(=O)C[C@H]2c3ccccc3NC2=O)c(N)c1[N+](=O)[O-] ZINC001646258610 1416639435 /nfs/dbraw/zinc/63/94/35/1416639435.db2.gz FLIBYLRIFJEZIP-NSHDSACASA-N 0 0 340.339 2.550 10 5 EFBERN COCc1cccc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001646259871 1416639693 /nfs/dbraw/zinc/63/96/93/1416639693.db2.gz SHEJKTKIOYXNKS-UHFFFAOYSA-N 0 0 329.356 2.813 10 5 EFBERN Cc1ccc(NC(=O)/C=C/c2ccc(C=O)cc2)c(N)c1[N+](=O)[O-] ZINC001646258956 1416639752 /nfs/dbraw/zinc/63/97/52/1416639752.db2.gz IKUIOCWWFGGSFB-VQHVLOKHSA-N 0 0 325.324 2.950 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCOc2ccc(O)cc2C1 ZINC001646371031 1416653747 /nfs/dbraw/zinc/65/37/47/1416653747.db2.gz UZSIMLLJXLJZIE-UHFFFAOYSA-N 0 0 348.742 2.989 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001687887067 1416668681 /nfs/dbraw/zinc/66/86/81/1416668681.db2.gz GWWOXQCQWXJVIL-LBPRGKRZSA-N 0 0 339.392 2.524 10 5 EFBERN CC1(C)C[C@@]1(C)CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001683773132 1416684385 /nfs/dbraw/zinc/68/43/85/1416684385.db2.gz QFNJHSKKDYMHGB-SFHVURJKSA-N 0 0 346.431 2.863 10 5 EFBERN C[C@@H](NC(=O)NC[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001684038111 1416691256 /nfs/dbraw/zinc/69/12/56/1416691256.db2.gz BCKIMSAQKMKLAD-ACJLOTCBSA-N 0 0 343.383 2.863 10 5 EFBERN O=C(NC1CCC=CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001684197515 1416707553 /nfs/dbraw/zinc/70/75/53/1416707553.db2.gz LNNFATXPSZJPAL-UHFFFAOYSA-N 0 0 344.415 2.925 10 5 EFBERN CCc1onc(C)c1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001684342133 1416718246 /nfs/dbraw/zinc/71/82/46/1416718246.db2.gz KGBWDSRGGIYZNT-UHFFFAOYSA-N 0 0 346.387 2.838 10 5 EFBERN Cc1nc(C(C)(C)NC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC001684396536 1416720288 /nfs/dbraw/zinc/72/02/88/1416720288.db2.gz JTWZPCJMQJXTMY-JTQLQIEISA-N 0 0 347.375 2.624 10 5 EFBERN CC(C)(CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001684390057 1416720395 /nfs/dbraw/zinc/72/03/95/1416720395.db2.gz IQJCZCGXBWMNQX-UHFFFAOYSA-N 0 0 346.431 2.863 10 5 EFBERN C[C@H](CNC(=O)NC[C@]1(C)CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC001684397753 1416720874 /nfs/dbraw/zinc/72/08/74/1416720874.db2.gz VCDWERQRTMBZEV-SKDZVZGDSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]([C@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] 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ZINC000177783654 718200431 /nfs/dbraw/zinc/20/04/31/718200431.db2.gz KPJIRXDVHXRYLY-ZDUSSCGKSA-N 0 0 344.327 2.966 10 5 EFBERN CCOc1ccc(C(=O)NCc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000177954619 718226979 /nfs/dbraw/zinc/22/69/79/718226979.db2.gz PWGGWEOYZYKIAG-GFCCVEGCSA-N 0 0 344.367 2.977 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1/C=C1\N=C(c2cccnc2)OC1=O ZINC000178016009 718238599 /nfs/dbraw/zinc/23/85/99/718238599.db2.gz KJCBBKNBWRWXSW-ZROIWOOFSA-N 0 0 339.307 2.733 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H](C1CCCCC1)C(F)(F)F ZINC000180227870 718310614 /nfs/dbraw/zinc/31/06/14/718310614.db2.gz DIORRDUKZRQFJF-LBPRGKRZSA-N 0 0 335.282 2.846 10 5 EFBERN CCc1cnc(CCNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000072504430 718520448 /nfs/dbraw/zinc/52/04/48/718520448.db2.gz FOLHIDPCRYPVRK-UHFFFAOYSA-N 0 0 341.339 2.864 10 5 EFBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@@]12CCO[C@@H]1CCCC2 ZINC000924218921 718592865 /nfs/dbraw/zinc/59/28/65/718592865.db2.gz FJLANFLVLDAXSR-WBVHZDCISA-N 0 0 335.356 2.866 10 5 EFBERN COCC[C@H](COC)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000311900222 718958653 /nfs/dbraw/zinc/95/86/53/718958653.db2.gz CDWLKLOQJVGYJT-SECBINFHSA-N 0 0 333.182 2.821 10 5 EFBERN O=C(CC1CC1)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000107415760 718974025 /nfs/dbraw/zinc/97/40/25/718974025.db2.gz HVSVSIJOMIGZDI-CYBMUJFWSA-N 0 0 332.356 2.543 10 5 EFBERN O=C(NCCn1cc([N+](=O)[O-])cn1)c1sccc1SC(F)F ZINC000122614551 719543835 /nfs/dbraw/zinc/54/38/35/719543835.db2.gz RSMGOCIZBPWXHE-UHFFFAOYSA-N 0 0 348.356 2.598 10 5 EFBERN CS[C@@H]1CC[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000866884339 719677914 /nfs/dbraw/zinc/67/79/14/719677914.db2.gz FORFMUHMFNNASQ-DTWKUNHWSA-N 0 0 336.460 2.527 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OCCO[C@@H]1CC1(F)F ZINC000924240745 719722533 /nfs/dbraw/zinc/72/25/33/719722533.db2.gz PADVZILEEKHDKQ-LLVKDONJSA-N 0 0 335.690 2.758 10 5 EFBERN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(Cn2cncn2)cc1 ZINC000108045392 719747369 /nfs/dbraw/zinc/74/73/69/719747369.db2.gz XUAJUDZTVKYQAK-UHFFFAOYSA-N 0 0 344.352 2.653 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3C[C@@H](Cc4ccccc4)[C@H](O)C3)nc2c1 ZINC000897338838 724625734 /nfs/dbraw/zinc/62/57/34/724625734.db2.gz YVZVKDPZRJIMSC-CXAGYDPISA-N 0 0 338.367 2.511 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021628794 724630879 /nfs/dbraw/zinc/63/08/79/724630879.db2.gz CMMIXEFQUVESLM-NVBFEUDRSA-N 0 0 349.387 2.538 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000893202765 720035810 /nfs/dbraw/zinc/03/58/10/720035810.db2.gz NLQSFXCMAPAIFM-LLVKDONJSA-N 0 0 337.376 2.557 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)OC[C@H]1C[C@]12CCOC2 ZINC000893738708 720065610 /nfs/dbraw/zinc/06/56/10/720065610.db2.gz QPLMFZCIKNWBCA-DYVFJYSZSA-N 0 0 334.372 2.757 10 5 EFBERN O=C(OC[C@H]1CCC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000893214325 720070356 /nfs/dbraw/zinc/07/03/56/720070356.db2.gz MHVUHSMEKJGXCI-SECBINFHSA-N 0 0 343.282 2.958 10 5 EFBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)OCCc2ccccc21 ZINC000893807690 720095535 /nfs/dbraw/zinc/09/55/35/720095535.db2.gz WDNUPPSCUXTZHL-GOSISDBHSA-N 0 0 344.342 2.952 10 5 EFBERN C[C@@H]1Cn2nccc2N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000893878938 720138904 /nfs/dbraw/zinc/13/89/04/720138904.db2.gz ADBICRGAZJZVAY-LBPRGKRZSA-N 0 0 328.372 2.752 10 5 EFBERN CC(C)Oc1cc(C(=O)N2C[C@@H](C)Cn3nccc32)ccc1[N+](=O)[O-] ZINC000893879972 720139321 /nfs/dbraw/zinc/13/93/21/720139321.db2.gz FSMFTJZXAHHSFG-GFCCVEGCSA-N 0 0 344.371 2.875 10 5 EFBERN C/C(=C\C(=O)N1C[C@H](C)Cn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC000893885717 720141831 /nfs/dbraw/zinc/14/18/31/720141831.db2.gz GXGAMMQXBOTCIO-OQZOHAQUSA-N 0 0 326.356 2.878 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)Cn2nccc21 ZINC000893885941 720142006 /nfs/dbraw/zinc/14/20/06/720142006.db2.gz IEZRTKSKCWEHDA-AUWXEVLLSA-N 0 0 326.356 2.878 10 5 EFBERN C[C@@H](C(=O)N1C[C@@H](C)Cn2nccc21)c1ccc([N+](=O)[O-])cc1F ZINC000893888313 720151149 /nfs/dbraw/zinc/15/11/49/720151149.db2.gz ZHUOBHRMLFBOKN-GHMZBOCLSA-N 0 0 332.335 2.717 10 5 EFBERN COC(=O)[C@H]1[C@@H](CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000893912428 720156874 /nfs/dbraw/zinc/15/68/74/720156874.db2.gz HIWZFNSWOWQWNJ-ZYHUDNBSSA-N 0 0 348.733 2.734 10 5 EFBERN CCOc1ccc(C(=O)NC2CCC3(COC3)CC2)cc1[N+](=O)[O-] ZINC000893976626 720193055 /nfs/dbraw/zinc/19/30/55/720193055.db2.gz VQDJLQRYDVFUSR-UHFFFAOYSA-N 0 0 334.372 2.683 10 5 EFBERN CCO/C=C/C(=O)OCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000840586444 720366051 /nfs/dbraw/zinc/36/60/51/720366051.db2.gz DMLSYAWXVHIREU-SNAWJCMRSA-N 0 0 347.270 2.798 10 5 EFBERN CC1(CC(=O)OCc2cccc([N+](=O)[O-])c2Br)COC1 ZINC000924118078 720380343 /nfs/dbraw/zinc/38/03/43/720380343.db2.gz OUDFFTGTQQDCRX-UHFFFAOYSA-N 0 0 344.161 2.827 10 5 EFBERN CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000312303040 720405910 /nfs/dbraw/zinc/40/59/10/720405910.db2.gz BIURNUYLRFDFNQ-SNVBAGLBSA-N 0 0 343.177 2.608 10 5 EFBERN CCO/C=C\C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000840588180 720438688 /nfs/dbraw/zinc/43/86/88/720438688.db2.gz LWCPVFIQLHMHAO-WAYWQWQTSA-N 0 0 330.134 2.951 10 5 EFBERN C[C@H]1C[C@@H]1COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000103685054 720436798 /nfs/dbraw/zinc/43/67/98/720436798.db2.gz PCMFPUUOHJHKAH-GXSJLCMTSA-N 0 0 348.384 2.687 10 5 EFBERN Cc1cc(NC(=O)NC[C@]23C[C@H]2COC32CCC2)ccc1[N+](=O)[O-] ZINC000930731447 720455144 /nfs/dbraw/zinc/45/51/44/720455144.db2.gz AGBSGNXJABKUJT-BLLLJJGKSA-N 0 0 331.372 2.984 10 5 EFBERN COC(=O)[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@@H]1C ZINC000312489549 720543904 /nfs/dbraw/zinc/54/39/04/720543904.db2.gz AZZZVBJBVQABDO-DTWKUNHWSA-N 0 0 343.177 2.603 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC(C)(C)CO1 ZINC000893333680 720710359 /nfs/dbraw/zinc/71/03/59/720710359.db2.gz NGSLTUKYTGBBIN-CYBMUJFWSA-N 0 0 335.404 2.596 10 5 EFBERN COCC(C)(C)CC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000840593286 720779903 /nfs/dbraw/zinc/77/99/03/720779903.db2.gz XWGWUNYGDJEKSX-UHFFFAOYSA-N 0 0 349.343 2.751 10 5 EFBERN COCC(C)(C)CC(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000840593982 720826542 /nfs/dbraw/zinc/82/65/42/720826542.db2.gz ATUPTJCDXSJBTO-LLVKDONJSA-N 0 0 338.360 2.528 10 5 EFBERN COC(=O)/C(C)=C\COc1cc([N+](=O)[O-])ccc1Br ZINC000311322194 721019102 /nfs/dbraw/zinc/01/91/02/721019102.db2.gz MSYGQEYDUBKCJI-YVMONPNESA-N 0 0 330.134 2.855 10 5 EFBERN CC(C)CC[C@H]1CCC(=O)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000137072973 721052683 /nfs/dbraw/zinc/05/26/83/721052683.db2.gz XOSCNOPLAXZWSN-BBRMVZONSA-N 0 0 348.399 2.830 10 5 EFBERN Cc1nn(CCC(=O)NCc2cscc2Cl)c(C)c1[N+](=O)[O-] ZINC000894172310 721128490 /nfs/dbraw/zinc/12/84/90/721128490.db2.gz PMTRTDKICQKONM-UHFFFAOYSA-N 0 0 342.808 2.830 10 5 EFBERN C[C@H](Cc1ccc(Br)cc1)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814038779 721194501 /nfs/dbraw/zinc/19/45/01/721194501.db2.gz HKTZCXVDUDMUHN-ZJUUUORDSA-N 0 0 330.178 2.836 10 5 EFBERN COc1cc(Br)ccc1CCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814041056 721194703 /nfs/dbraw/zinc/19/47/03/721194703.db2.gz MOZKMKGSKSMZFQ-SECBINFHSA-N 0 0 346.177 2.599 10 5 EFBERN O=C(c1csc(Cl)n1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000788011950 721214611 /nfs/dbraw/zinc/21/46/11/721214611.db2.gz NULIMDINQXMILY-UHFFFAOYSA-N 0 0 339.760 2.608 10 5 EFBERN C[C@@H]1CN(CCCOC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000893392402 721289786 /nfs/dbraw/zinc/28/97/86/721289786.db2.gz RRFFBLBCDVXZRS-GFCCVEGCSA-N 0 0 348.355 2.609 10 5 EFBERN CO[C@H]1C[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893396778 721437077 /nfs/dbraw/zinc/43/70/77/721437077.db2.gz YDOUAHHBJWAQMB-HOMQSWHASA-N 0 0 344.820 2.882 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000866889209 721463897 /nfs/dbraw/zinc/46/38/97/721463897.db2.gz RNUNAYDPTXGTFG-KBPBESRZSA-N 0 0 336.363 2.552 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)C3CC3)cc2[N+](=O)[O-])C1 ZINC000109369171 724770609 /nfs/dbraw/zinc/77/06/09/724770609.db2.gz ZHWRYXINTGJTLB-GFCCVEGCSA-N 0 0 346.383 2.967 10 5 EFBERN CCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)n[nH]1 ZINC000183340672 721745870 /nfs/dbraw/zinc/74/58/70/721745870.db2.gz AHDPPUUXOBPEND-UHFFFAOYSA-N 0 0 339.149 2.895 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])NCc1cc(C2CC2)no1 ZINC000894269973 721830367 /nfs/dbraw/zinc/83/03/67/721830367.db2.gz UUNLAIOTGCLYFT-UHFFFAOYSA-N 0 0 333.369 2.869 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc(C2CC2)no1 ZINC000894281684 721909550 /nfs/dbraw/zinc/90/95/50/721909550.db2.gz RWWGBPGEQRHVGU-UHFFFAOYSA-N 0 0 333.369 2.869 10 5 EFBERN CC(C)(CCC(=O)N1CCC[C@@H](Cc2nccs2)C1)[N+](=O)[O-] ZINC000928268613 722079813 /nfs/dbraw/zinc/07/98/13/722079813.db2.gz KTKDEXJFSQZJSD-LBPRGKRZSA-N 0 0 325.434 2.760 10 5 EFBERN C[C@H](C(=O)NC[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1F ZINC000894401930 722708845 /nfs/dbraw/zinc/70/88/45/722708845.db2.gz LEIPJMVEOMPUGC-WCQYABFASA-N 0 0 336.363 2.913 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000894414325 722723188 /nfs/dbraw/zinc/72/31/88/722723188.db2.gz GZLRXCQBGNKKKG-CYBMUJFWSA-N 0 0 334.372 2.683 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1csc(-c2ncccn2)n1 ZINC000917612244 728768149 /nfs/dbraw/zinc/76/81/49/728768149.db2.gz YXASNKDKHISJKU-UHFFFAOYSA-N 0 0 345.315 2.900 10 5 EFBERN CC1(C)CO[C@H](CCNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000894503393 722760306 /nfs/dbraw/zinc/76/03/06/722760306.db2.gz IURYPKDLGGPMGF-SECBINFHSA-N 0 0 328.315 2.808 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000894619116 722798878 /nfs/dbraw/zinc/79/88/78/722798878.db2.gz NUAWGGDSVUNWRJ-SUNYJGFJSA-N 0 0 348.399 2.668 10 5 EFBERN CCc1ccc(C(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc1[N+](=O)[O-] ZINC000894636193 722804485 /nfs/dbraw/zinc/80/44/85/722804485.db2.gz MQFMNFUICGTTCE-HNJNHCNJSA-N 0 0 348.399 2.614 10 5 EFBERN Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1[N+](=O)[O-] ZINC000894654972 722809779 /nfs/dbraw/zinc/80/97/79/722809779.db2.gz YUKJAJIOEHFKEE-VAGZCVSGSA-N 0 0 348.399 2.606 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCOC2(CCC2)C1 ZINC000894670291 722811892 /nfs/dbraw/zinc/81/18/92/722811892.db2.gz IBNKCTFGJSRKBW-INIZCTEOSA-N 0 0 333.388 2.767 10 5 EFBERN CC(C)(C(=O)N1CC[C@H]([C@@H]2CCCO2)C1)c1ccccc1[N+](=O)[O-] ZINC000894701406 722822631 /nfs/dbraw/zinc/82/26/31/722822631.db2.gz AVLXLQIFNOOFBR-BBRMVZONSA-N 0 0 332.400 2.900 10 5 EFBERN COc1cc(C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)cc([N+](=O)[O-])c1C ZINC000894701900 722822708 /nfs/dbraw/zinc/82/27/08/722822708.db2.gz CIIBBPUIUIESFR-WFASDCNBSA-N 0 0 334.372 2.553 10 5 EFBERN O=C(N1CC[C@H]([C@H]2CCCO2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000894711652 722823503 /nfs/dbraw/zinc/82/35/03/722823503.db2.gz KKVHXMWIRKZLRJ-SMDDNHRTSA-N 0 0 340.326 2.714 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894713711 722823925 /nfs/dbraw/zinc/82/39/25/722823925.db2.gz YJYRLUWUXSPXJZ-OTYXRUKQSA-N 0 0 326.299 2.514 10 5 EFBERN C[C@H](C(=O)N1CC[C@@H]([C@H]2CCCO2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000894706427 722824928 /nfs/dbraw/zinc/82/49/28/722824928.db2.gz WNLWELZWYJIPIX-HWWQOWPSSA-N 0 0 336.363 2.865 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894717425 722826875 /nfs/dbraw/zinc/82/68/75/722826875.db2.gz LVLADGGGMBQVGO-DOMZBBRYSA-N 0 0 338.791 2.818 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000894728473 722829966 /nfs/dbraw/zinc/82/99/66/722829966.db2.gz RMROFTZIFGRQOE-XHDPSFHLSA-N 0 0 336.413 2.958 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894722007 722831657 /nfs/dbraw/zinc/83/16/57/722831657.db2.gz YOYKIJIRVLIORQ-RISCZKNCSA-N 0 0 330.340 2.982 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCC1 ZINC000894804076 722851733 /nfs/dbraw/zinc/85/17/33/722851733.db2.gz XAGCMXRTFABURF-NSHDSACASA-N 0 0 340.401 2.816 10 5 EFBERN CO[C@]1(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CCSC1 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EFBERN O=C(Nc1ncc(-c2cnccn2)s1)c1ccc([N+](=O)[O-])s1 ZINC001584225284 1092129323 /nfs/dbraw/zinc/12/93/23/1092129323.db2.gz FPOCJTWKMPFAHE-UHFFFAOYSA-N 0 0 333.354 2.822 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cn1 ZINC001584282034 1092137393 /nfs/dbraw/zinc/13/73/93/1092137393.db2.gz HZXNYVNKDBGFQC-UHFFFAOYSA-N 0 0 328.328 2.533 10 5 EFBERN C[C@H](NC(=O)c1cccc(-n2cccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001584295225 1092141191 /nfs/dbraw/zinc/14/11/91/1092141191.db2.gz YKPUTLWOBAACRQ-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)n1 ZINC001584332662 1092146434 /nfs/dbraw/zinc/14/64/34/1092146434.db2.gz ZPFIMEDZHKMGLE-GFCCVEGCSA-N 0 0 347.268 2.805 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccncc2)c1 ZINC001584345862 1092147928 /nfs/dbraw/zinc/14/79/28/1092147928.db2.gz NGKXZCJQBJSTLS-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)no1 ZINC001584352618 1092149483 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EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(Cc2ccoc2)C1 ZINC001648411417 1092213434 /nfs/dbraw/zinc/21/34/34/1092213434.db2.gz LQVLGHZPYHCPEE-UHFFFAOYSA-N 0 0 325.324 2.984 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H](O)c2cccnc2)cc1Cl ZINC001648502557 1092224343 /nfs/dbraw/zinc/22/43/43/1092224343.db2.gz ZMPZBVGWVGTSEA-HNNXBMFYSA-N 0 0 349.774 2.757 10 5 EFBERN CC(C)c1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC001648531179 1092230531 /nfs/dbraw/zinc/23/05/31/1092230531.db2.gz PTSYVVAFITUUMN-UHFFFAOYSA-N 0 0 342.315 2.744 10 5 EFBERN CSCCc1ccccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001648529978 1092230739 /nfs/dbraw/zinc/23/07/39/1092230739.db2.gz LUZGUBNPBONVSK-UHFFFAOYSA-N 0 0 332.385 2.730 10 5 EFBERN CCCn1nccc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001584644257 1092231258 /nfs/dbraw/zinc/23/12/58/1092231258.db2.gz IEGKKGPESBXKJW-UHFFFAOYSA-N 0 0 339.355 2.732 10 5 EFBERN Cc1cc(NC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001584644661 1092232175 /nfs/dbraw/zinc/23/21/75/1092232175.db2.gz NXPYBNUDXSHUGR-RHPZDQPFSA-N 0 0 343.383 2.871 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(c2cnccn2)[C@H](C)C1 ZINC001648665065 1092250078 /nfs/dbraw/zinc/25/00/78/1092250078.db2.gz HPDNEFNCXCIHJW-CABCVRRESA-N 0 0 341.415 2.965 10 5 EFBERN CNc1ccc(C(=O)Nc2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC001584728574 1092263466 /nfs/dbraw/zinc/26/34/66/1092263466.db2.gz MDEYJNSJJKTCPC-UHFFFAOYSA-N 0 0 327.340 2.962 10 5 EFBERN Cc1cc(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)cc([N+](=O)[O-])c1 ZINC001584782225 1092285313 /nfs/dbraw/zinc/28/53/13/1092285313.db2.gz PKDANYMPFVFXQB-UHFFFAOYSA-N 0 0 347.277 2.780 10 5 EFBERN CCc1ccc(C(=O)Nc2cc(C)ccc2C(N)=O)cc1[N+](=O)[O-] ZINC001584964824 1092339467 /nfs/dbraw/zinc/33/94/67/1092339467.db2.gz QDYVISIRDWSBCH-UHFFFAOYSA-N 0 0 327.340 2.817 10 5 EFBERN COc1ccc(OC(=O)[C@@H]2CCc3ccccc3O2)cc1[N+](=O)[O-] ZINC001584977721 1092342669 /nfs/dbraw/zinc/34/26/69/1092342669.db2.gz MPUFYWCGQIBJPT-INIZCTEOSA-N 0 0 329.308 2.903 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1CC(C)C ZINC001585139173 1092380486 /nfs/dbraw/zinc/38/04/86/1092380486.db2.gz RRERCOYYTAWOHY-CYBMUJFWSA-N 0 0 337.395 2.845 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC001585139174 1092380788 /nfs/dbraw/zinc/38/07/88/1092380788.db2.gz RRERCOYYTAWOHY-ZDUSSCGKSA-N 0 0 337.395 2.845 10 5 EFBERN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001585205188 1092400358 /nfs/dbraw/zinc/40/03/58/1092400358.db2.gz MKJVUVOMVDSPRF-RKDXNWHRSA-N 0 0 340.261 2.699 10 5 EFBERN Cc1cnc(COC(=O)c2cncc3[nH]ccc32)c(C)c1[N+](=O)[O-] ZINC001585240083 1092416201 /nfs/dbraw/zinc/41/62/01/1092416201.db2.gz BNFGWRUFKHGHEA-UHFFFAOYSA-N 0 0 326.312 2.840 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(NCCc2nc3ccccc3[nH]2)cc1F ZINC001649352100 1092420806 /nfs/dbraw/zinc/42/08/06/1092420806.db2.gz KQTMPMHTHBANNO-UHFFFAOYSA-N 0 0 330.319 2.757 10 5 EFBERN CCCCCCO[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001585249452 1092421448 /nfs/dbraw/zinc/42/14/48/1092421448.db2.gz SAHDFDWKXWQCPC-NSHDSACASA-N 0 0 337.376 2.618 10 5 EFBERN CCCCCCO[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001585249451 1092421797 /nfs/dbraw/zinc/42/17/97/1092421797.db2.gz SAHDFDWKXWQCPC-LLVKDONJSA-N 0 0 337.376 2.618 10 5 EFBERN Cc1oc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)nc1C1CC1 ZINC001585265949 1092426770 /nfs/dbraw/zinc/42/67/70/1092426770.db2.gz WYUBHISTXGZZKF-UHFFFAOYSA-N 0 0 335.291 2.925 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001585345854 1092456157 /nfs/dbraw/zinc/45/61/57/1092456157.db2.gz NDPXJBKLVUZITD-XFBWCDHKSA-N 0 0 345.305 2.523 10 5 EFBERN Cc1cc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc(C)n1 ZINC001585398174 1092472947 /nfs/dbraw/zinc/47/29/47/1092472947.db2.gz CUOYTINQHFRNOB-UHFFFAOYSA-N 0 0 338.367 2.878 10 5 EFBERN CC(=O)c1cnccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001585448555 1092488374 /nfs/dbraw/zinc/48/83/74/1092488374.db2.gz LENITNSCDNMYTM-UHFFFAOYSA-N 0 0 333.731 2.828 10 5 EFBERN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC001585477145 1092496490 /nfs/dbraw/zinc/49/64/90/1092496490.db2.gz BFXHOQIDVQJLSQ-UHFFFAOYSA-N 0 0 334.353 2.681 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCOc2c(F)ccc(F)c21 ZINC001585484861 1092498914 /nfs/dbraw/zinc/49/89/14/1092498914.db2.gz LNASMPYXICSNEV-UHFFFAOYSA-N 0 0 334.278 2.841 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC001585523471 1092510354 /nfs/dbraw/zinc/51/03/54/1092510354.db2.gz VZOJNWWDGAMMMF-UHFFFAOYSA-N 0 0 342.355 2.842 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC001585528536 1092511797 /nfs/dbraw/zinc/51/17/97/1092511797.db2.gz YCBKRROVXRHMEX-UHFFFAOYSA-N 0 0 344.323 2.951 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc(OC2CCCC2)c1 ZINC001585611609 1092522629 /nfs/dbraw/zinc/52/26/29/1092522629.db2.gz JSCCCMLNSGRAJW-UHFFFAOYSA-N 0 0 330.344 2.902 10 5 EFBERN Cc1ccccc1OCCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001585636692 1092529722 /nfs/dbraw/zinc/52/97/22/1092529722.db2.gz ZWIVEXMNNNIFHV-UHFFFAOYSA-N 0 0 329.356 2.684 10 5 EFBERN Cc1cc(C(=O)N(C)CC(F)(F)C(F)(F)F)c(N)c([N+](=O)[O-])c1 ZINC001585640162 1092531731 /nfs/dbraw/zinc/53/17/31/1092531731.db2.gz PTDRZXHPLYVFTH-UHFFFAOYSA-N 0 0 341.236 2.755 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1NC(=O)C[C@H]1c1ccccc1 ZINC001649487627 1092532220 /nfs/dbraw/zinc/53/22/20/1092532220.db2.gz IHULKFMORZODOA-AWEZNQCLSA-N 0 0 345.742 2.867 10 5 EFBERN O=C(N[C@@H]1CCCc2cccnc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001585700986 1092549092 /nfs/dbraw/zinc/54/90/92/1092549092.db2.gz FXYYYXGWNQMEOJ-CQSZACIVSA-N 0 0 337.339 2.674 10 5 EFBERN O=C(COCC(F)(F)F)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585836781 1092591820 /nfs/dbraw/zinc/59/18/20/1092591820.db2.gz HNNYZHXSOJZKDK-UHFFFAOYSA-N 0 0 329.234 2.660 10 5 EFBERN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585841542 1092592413 /nfs/dbraw/zinc/59/24/13/1092592413.db2.gz JJIXQLINXNVTDL-NWDGAFQWSA-N 0 0 345.355 2.666 10 5 EFBERN O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC001585845134 1092594129 /nfs/dbraw/zinc/59/41/29/1092594129.db2.gz XDDAKFHVLQDEMQ-HUUCEWRRSA-N 0 0 325.368 2.989 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccnn1CC(F)F ZINC001585846417 1092595120 /nfs/dbraw/zinc/59/51/20/1092595120.db2.gz CKGHKMRRTGGYMV-UHFFFAOYSA-N 0 0 347.281 2.857 10 5 EFBERN C[C@H](Cc1cnn(C)c1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585847864 1092596757 /nfs/dbraw/zinc/59/67/57/1092596757.db2.gz SIGDISBMGFUYQG-LLVKDONJSA-N 0 0 339.355 2.694 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnn([C@H]2CCCCO2)c1 ZINC001585850372 1092596978 /nfs/dbraw/zinc/59/69/78/1092596978.db2.gz DECGSNVZYZNNDA-MRXNPFEDSA-N 0 0 345.359 2.541 10 5 EFBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C(N)=O)c1 ZINC001585876356 1092606545 /nfs/dbraw/zinc/60/65/45/1092606545.db2.gz KXFBQAHAIQEUJD-UHFFFAOYSA-N 0 0 327.340 2.871 10 5 EFBERN Cn1nnc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC001585894690 1092613236 /nfs/dbraw/zinc/61/32/36/1092613236.db2.gz UMXHCYCSVHHBMW-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CC(C)(CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)n1ccnc1 ZINC001585907061 1092616800 /nfs/dbraw/zinc/61/68/00/1092616800.db2.gz SHYMUSVPPXPTBO-UHFFFAOYSA-N 0 0 345.403 2.535 10 5 EFBERN CCOc1cc(NC(=O)[C@@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC001585926921 1092623534 /nfs/dbraw/zinc/62/35/34/1092623534.db2.gz OZBPKHRZKGLUJN-INIZCTEOSA-N 0 0 328.324 2.936 10 5 EFBERN Cc1nc2ccc(Cl)cn2c1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001585934251 1092623704 /nfs/dbraw/zinc/62/37/04/1092623704.db2.gz SNHYQICWDSNFEX-UHFFFAOYSA-N 0 0 347.718 2.557 10 5 EFBERN CN(CCC(C)(C)C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001585956126 1092629875 /nfs/dbraw/zinc/62/98/75/1092629875.db2.gz DQAKYPBPHPQNEL-OAHLLOKOSA-N 0 0 333.388 2.982 10 5 EFBERN CN(CCC(C)(C)C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001585956125 1092630157 /nfs/dbraw/zinc/63/01/57/1092630157.db2.gz DQAKYPBPHPQNEL-HNNXBMFYSA-N 0 0 333.388 2.982 10 5 EFBERN COc1c(F)nccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001585977375 1092639357 /nfs/dbraw/zinc/63/93/57/1092639357.db2.gz GDMMMHRHGWKDFL-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN C/C(=C/C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000588502717 1092641969 /nfs/dbraw/zinc/64/19/69/1092641969.db2.gz QTESAQOQVXZSAU-KIWPFMIBSA-N 0 0 332.404 2.995 10 5 EFBERN O=C(N[C@H](Cc1ccccc1)C1CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001586017866 1092655179 /nfs/dbraw/zinc/65/51/79/1092655179.db2.gz JZZWIWOAYZCZQM-LLVKDONJSA-N 0 0 334.763 2.722 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc2nonc2c1 ZINC001586031366 1092659440 /nfs/dbraw/zinc/65/94/40/1092659440.db2.gz IYHCVASFCQPYEU-UHFFFAOYSA-N 0 0 340.339 2.986 10 5 EFBERN O=C(C[C@H]1CCC2(CCC2)O1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586034844 1092661642 /nfs/dbraw/zinc/66/16/42/1092661642.db2.gz JEBRGFDLUCMAKA-GFCCVEGCSA-N 0 0 336.300 2.900 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2c1OCC2 ZINC001586034912 1092661784 /nfs/dbraw/zinc/66/17/84/1092661784.db2.gz KKFMBYRZDLNMMK-UHFFFAOYSA-N 0 0 330.252 2.657 10 5 EFBERN O=C(Nc1ccc2c(c1)CCNC2=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001586052766 1092668293 /nfs/dbraw/zinc/66/82/93/1092668293.db2.gz ZVOJJXADTLBVQM-UHFFFAOYSA-N 0 0 345.742 2.786 10 5 EFBERN C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1nccn1C ZINC001586060457 1092670981 /nfs/dbraw/zinc/67/09/81/1092670981.db2.gz AMDUHZHZPICCJR-ZETCQYMHSA-N 0 0 326.715 2.612 10 5 EFBERN CC(C)c1ccc(C(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001586076206 1092672911 /nfs/dbraw/zinc/67/29/11/1092672911.db2.gz BGOWCIJEEYYRDR-JHJVBQTASA-N 0 0 347.415 2.798 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NOCc2cccc(C)n2)c1 ZINC001586074405 1092673056 /nfs/dbraw/zinc/67/30/56/1092673056.db2.gz SVAXFWQHSIJJNQ-UHFFFAOYSA-N 0 0 345.355 2.624 10 5 EFBERN COC(CNC(=O)c1cc([N+](=O)[O-])ccc1F)(OC)c1ccccc1 ZINC001586182221 1092706217 /nfs/dbraw/zinc/70/62/17/1092706217.db2.gz NSCYYRQEYNVFLT-UHFFFAOYSA-N 0 0 348.330 2.610 10 5 EFBERN COC(=O)c1c(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2C)nc1C ZINC001586210003 1092710110 /nfs/dbraw/zinc/71/01/10/1092710110.db2.gz IDWJMZFACSCMMT-UHFFFAOYSA-N 0 0 343.339 2.954 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC001125588009 1092713952 /nfs/dbraw/zinc/71/39/52/1092713952.db2.gz WTCFYBLXYWAWIQ-UHFFFAOYSA-N 0 0 325.324 2.707 10 5 EFBERN CCNC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(C)s1 ZINC001586240226 1092714344 /nfs/dbraw/zinc/71/43/44/1092714344.db2.gz OGEFYNZDBXSUJY-UHFFFAOYSA-N 0 0 348.384 2.549 10 5 EFBERN Cc1c(C(=O)N[C@@H]2CC=CC[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001586284718 1092719380 /nfs/dbraw/zinc/71/93/80/1092719380.db2.gz RRIGWZLDTWIKNW-IAQYHMDHSA-N 0 0 341.371 2.568 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCCC(=O)OC(C)(C)C ZINC000785123529 1092730711 /nfs/dbraw/zinc/73/07/11/1092730711.db2.gz YOCUJFFFPIUEBN-UHFFFAOYSA-N 0 0 338.360 2.967 10 5 EFBERN COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001586503903 1092739809 /nfs/dbraw/zinc/73/98/09/1092739809.db2.gz GWDCMSGAPFYWDE-OLZOCXBDSA-N 0 0 341.323 2.519 10 5 EFBERN CCCc1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC001586535118 1092742232 /nfs/dbraw/zinc/74/22/32/1092742232.db2.gz FCIZLNHEQWBSSF-UHFFFAOYSA-N 0 0 340.742 2.993 10 5 EFBERN Cc1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001586535157 1092742589 /nfs/dbraw/zinc/74/25/89/1092742589.db2.gz GZLVBOKAMMVZNY-UHFFFAOYSA-N 0 0 339.710 2.726 10 5 EFBERN Cn1ccc(-c2cc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])n[nH]2)c1 ZINC001586645556 1092748317 /nfs/dbraw/zinc/74/83/17/1092748317.db2.gz FIZYGTRZHDHEFQ-UHFFFAOYSA-N 0 0 337.339 2.526 10 5 EFBERN O=C(Nc1ccc(F)nn1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001586655798 1092749969 /nfs/dbraw/zinc/74/99/69/1092749969.db2.gz JJGYEUOHGZAOBA-UHFFFAOYSA-N 0 0 339.286 2.838 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOc3c(F)ccc(F)c32)n1 ZINC001586681548 1092750536 /nfs/dbraw/zinc/75/05/36/1092750536.db2.gz CSYTZQBISAFBNZ-UHFFFAOYSA-N 0 0 335.266 2.616 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCCC2=O ZINC001586676360 1092751261 /nfs/dbraw/zinc/75/12/61/1092751261.db2.gz CUUAIYNIGWOPBL-UHFFFAOYSA-N 0 0 347.352 2.588 10 5 EFBERN C[C@H]1Cc2cnccc2N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001586732607 1092754054 /nfs/dbraw/zinc/75/40/54/1092754054.db2.gz AWSRPUNRKASDPC-LBPRGKRZSA-N 0 0 349.350 2.767 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Nc2ccccc2)cn1 ZINC001586743950 1092755359 /nfs/dbraw/zinc/75/53/59/1092755359.db2.gz OOSQPCFXKIWKFS-UHFFFAOYSA-N 0 0 338.327 2.569 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cnc1C ZINC001586739406 1092756306 /nfs/dbraw/zinc/75/63/06/1092756306.db2.gz SBFRQJHUZUBBQA-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN COc1cccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC001586767905 1092758801 /nfs/dbraw/zinc/75/88/01/1092758801.db2.gz XXUHIMXDVYSPII-UHFFFAOYSA-N 0 0 332.331 2.910 10 5 EFBERN O=C(Nc1cnc2ccccn12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001586820298 1092761533 /nfs/dbraw/zinc/76/15/33/1092761533.db2.gz NEBFBOAMZXAJHJ-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN O=C(Nc1cc(F)ccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001586848050 1092763023 /nfs/dbraw/zinc/76/30/23/1092763023.db2.gz RAVXNOKSWYGCDF-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001586883119 1092765024 /nfs/dbraw/zinc/76/50/24/1092765024.db2.gz HNRCJGQXOUVWGI-MRXNPFEDSA-N 0 0 339.395 2.560 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](c2ccccc2)CO1 ZINC001586938565 1092770541 /nfs/dbraw/zinc/77/05/41/1092770541.db2.gz NPAQKAXBZMMEKS-SJCJKPOMSA-N 0 0 341.367 2.779 10 5 EFBERN COC(=O)c1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001586981241 1092774279 /nfs/dbraw/zinc/77/42/79/1092774279.db2.gz LSHWOVNFQWNQAZ-UHFFFAOYSA-N 0 0 332.287 2.702 10 5 EFBERN Cc1cc(C)n(CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001587002279 1092774821 /nfs/dbraw/zinc/77/48/21/1092774821.db2.gz GWJFOLJDJKLRBI-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2ccc3ncn(C)c3n2)cc1[N+](=O)[O-] ZINC001587038026 1092777662 /nfs/dbraw/zinc/77/76/62/1092777662.db2.gz XQJFSUQPTPQPSP-LLVKDONJSA-N 0 0 339.355 2.676 10 5 EFBERN CCOc1cc(NC(=O)c2oc(C(=O)OC)cc2C)ccc1[N+](=O)[O-] ZINC001587067760 1092778752 /nfs/dbraw/zinc/77/87/52/1092778752.db2.gz WJLJVRMDZSFETE-UHFFFAOYSA-N 0 0 348.311 2.934 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2cnccc2n1 ZINC001587061543 1092779776 /nfs/dbraw/zinc/77/97/76/1092779776.db2.gz ALCAVNRVPHQJOD-UHFFFAOYSA-N 0 0 336.351 2.853 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001587128513 1092784460 /nfs/dbraw/zinc/78/44/60/1092784460.db2.gz NBAPZCNQAPZCLZ-UHFFFAOYSA-N 0 0 347.714 2.831 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc2c(F)cc(F)cc2c1O ZINC001587128497 1092784798 /nfs/dbraw/zinc/78/47/98/1092784798.db2.gz MONCJMLZRNZJFO-UHFFFAOYSA-N 0 0 345.261 2.967 10 5 EFBERN CSc1cc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC001587144464 1092785650 /nfs/dbraw/zinc/78/56/50/1092785650.db2.gz SHKYIYZPNCLLKL-UHFFFAOYSA-N 0 0 335.297 2.839 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCNC2=O ZINC001587157737 1092787420 /nfs/dbraw/zinc/78/74/20/1092787420.db2.gz XDSWBPKMDNTRAT-FPYGCLRLSA-N 0 0 337.335 2.533 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccnn1CC1CCC1 ZINC001587147893 1092787808 /nfs/dbraw/zinc/78/78/08/1092787808.db2.gz HGBLNVHXIDCAOI-UHFFFAOYSA-N 0 0 346.299 2.719 10 5 EFBERN Cn1cc(-c2ncccc2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001587237829 1092794096 /nfs/dbraw/zinc/79/40/96/1092794096.db2.gz CFZKTWIZAJMIQX-UHFFFAOYSA-N 0 0 349.350 2.546 10 5 EFBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(S(C)(=O)=O)c1 ZINC001587292558 1092799191 /nfs/dbraw/zinc/79/91/91/1092799191.db2.gz LYEWOCAUTRJCFM-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C)c1Cl ZINC001587343586 1092803042 /nfs/dbraw/zinc/80/30/42/1092803042.db2.gz LKHMGZCHIXWIJD-UHFFFAOYSA-N 0 0 326.765 2.956 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(Cl)nc2ccccc21 ZINC001587348196 1092804259 /nfs/dbraw/zinc/80/42/59/1092804259.db2.gz KTJQHEHYIMQDMD-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)Cc1ccccc1C(F)(F)F ZINC001587348639 1092804812 /nfs/dbraw/zinc/80/48/12/1092804812.db2.gz TUAMODJYRJDALU-UHFFFAOYSA-N 0 0 328.250 2.528 10 5 EFBERN CCS[C@H]1CCC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001587544963 1092821610 /nfs/dbraw/zinc/82/16/10/1092821610.db2.gz XUTQFHLSBUYTNC-YUMQZZPRSA-N 0 0 332.813 2.765 10 5 EFBERN Cc1c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)[nH]c2c1C(=O)CCC2 ZINC001587560306 1092822716 /nfs/dbraw/zinc/82/27/16/1092822716.db2.gz YPXJGJGEHVPYSB-UHFFFAOYSA-N 0 0 341.367 2.989 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001587572238 1092824184 /nfs/dbraw/zinc/82/41/84/1092824184.db2.gz KLFSJBDELAUCDU-UHFFFAOYSA-N 0 0 327.340 2.508 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001587573205 1092825151 /nfs/dbraw/zinc/82/51/51/1092825151.db2.gz TWIICWGINZANAQ-UHFFFAOYSA-N 0 0 327.340 2.508 10 5 EFBERN O=C(NCC1CCCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001587581437 1092826695 /nfs/dbraw/zinc/82/66/95/1092826695.db2.gz AUWWRISTVBYYIY-UHFFFAOYSA-N 0 0 338.429 2.989 10 5 EFBERN O=C(N[C@H](C1CCCC1)C(F)(F)F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001587624674 1092832943 /nfs/dbraw/zinc/83/29/43/1092832943.db2.gz DNVTWEPPVSXZDR-SNVBAGLBSA-N 0 0 333.266 2.546 10 5 EFBERN COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2ccccc12 ZINC001587631249 1092834955 /nfs/dbraw/zinc/83/49/55/1092834955.db2.gz ULVREHLJMWNGNG-UHFFFAOYSA-N 0 0 340.339 2.900 10 5 EFBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccc(Cl)cc21 ZINC001587641967 1092835886 /nfs/dbraw/zinc/83/58/86/1092835886.db2.gz WKOYZQKPVYOMRG-HNNXBMFYSA-N 0 0 332.743 2.871 10 5 EFBERN Cc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC001587658643 1092839018 /nfs/dbraw/zinc/83/90/18/1092839018.db2.gz PMXPCSOHZSHDAK-GDBMZVCRSA-N 0 0 341.367 2.948 10 5 EFBERN Cc1cccc(C(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC001587658646 1092839042 /nfs/dbraw/zinc/83/90/42/1092839042.db2.gz PMXPCSOHZSHDAK-HOCLYGCPSA-N 0 0 341.367 2.948 10 5 EFBERN NC(=O)c1cc(F)c(F)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001587665431 1092839419 /nfs/dbraw/zinc/83/94/19/1092839419.db2.gz ISBFFOFKTSFJOD-ZZXKWVIFSA-N 0 0 347.277 2.624 10 5 EFBERN O=C(N[C@@H]1COc2cc(F)ccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001587697923 1092842088 /nfs/dbraw/zinc/84/20/88/1092842088.db2.gz LWLBGVDNAFONHB-NSHDSACASA-N 0 0 334.278 2.607 10 5 EFBERN NC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)s1 ZINC001587796374 1092853729 /nfs/dbraw/zinc/85/37/29/1092853729.db2.gz XZFBXNSDAZPXOS-UHFFFAOYSA-N 0 0 342.336 2.556 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccccc1F ZINC001587922511 1092868716 /nfs/dbraw/zinc/86/87/16/1092868716.db2.gz DJZMZPCVOVVTOU-HNNXBMFYSA-N 0 0 336.294 2.645 10 5 EFBERN C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001588020883 1092884244 /nfs/dbraw/zinc/88/42/44/1092884244.db2.gz GKGCEZLCXHMOTF-BZNIZROVSA-N 0 0 332.331 2.976 10 5 EFBERN COC(=O)c1nc(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC001588043016 1092886425 /nfs/dbraw/zinc/88/64/25/1092886425.db2.gz QONOGDISEOXPDQ-UHFFFAOYSA-N 0 0 336.325 2.503 10 5 EFBERN O=C(NCCc1cccnc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001588123886 1092892860 /nfs/dbraw/zinc/89/28/60/1092892860.db2.gz FHOZPPGNSQZNSM-UHFFFAOYSA-N 0 0 339.273 2.981 10 5 EFBERN CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC001588145105 1092897797 /nfs/dbraw/zinc/89/77/97/1092897797.db2.gz LWKLQQPGBLZJCG-ZUEPYMLJSA-N 0 0 346.383 2.850 10 5 EFBERN O=C(Nc1cnc2nccn2c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001588227539 1092905805 /nfs/dbraw/zinc/90/58/05/1092905805.db2.gz PSXIKDMLXCELIU-UHFFFAOYSA-N 0 0 337.339 2.698 10 5 EFBERN COc1cccc2c1CN(C(=O)c1cccc(OC)c1[N+](=O)[O-])C2 ZINC001588231289 1092906077 /nfs/dbraw/zinc/90/60/77/1092906077.db2.gz UJHQJQMBEBDUGW-UHFFFAOYSA-N 0 0 328.324 2.768 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(Cl)ccc2cnccc21 ZINC001588264983 1092910825 /nfs/dbraw/zinc/91/08/25/1092910825.db2.gz XDWSGDZWYGCJMZ-UHFFFAOYSA-N 0 0 331.719 2.632 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H]1C=CCC1 ZINC001589163905 1093040989 /nfs/dbraw/zinc/04/09/89/1093040989.db2.gz VDQOJYPNMDBAHG-JTQLQIEISA-N 0 0 337.763 2.903 10 5 EFBERN CC(=O)N(C)c1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)cc1 ZINC000785148518 1093090959 /nfs/dbraw/zinc/09/09/59/1093090959.db2.gz UMUMIKUSDAUDEJ-UHFFFAOYSA-N 0 0 334.353 2.996 10 5 EFBERN CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1C ZINC001650374152 1093193717 /nfs/dbraw/zinc/19/37/17/1093193717.db2.gz UGASBUGQAVNYHG-UHFFFAOYSA-N 0 0 328.328 2.704 10 5 EFBERN Cc1ccc(CC(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001267232584 1093301483 /nfs/dbraw/zinc/30/14/83/1093301483.db2.gz JKSADOVSLLNMQR-UHFFFAOYSA-N 0 0 347.440 2.755 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1COCCO1 ZINC000780351494 1093319022 /nfs/dbraw/zinc/31/90/22/1093319022.db2.gz OPHNKFBBHSMATH-GFCCVEGCSA-N 0 0 341.385 2.669 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001125653856 1093330215 /nfs/dbraw/zinc/33/02/15/1093330215.db2.gz XCFGGPUUWNGZQL-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC001125683820 1093447974 /nfs/dbraw/zinc/44/79/74/1093447974.db2.gz PPLXTRAPYMJFNN-UHFFFAOYSA-N 0 0 345.286 2.740 10 5 EFBERN CC[C@H](C)C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(=O)OC ZINC000843616542 1093467262 /nfs/dbraw/zinc/46/72/62/1093467262.db2.gz ABUIIBZHONCRRZ-QPUJVOFHSA-N 0 0 344.314 2.581 10 5 EFBERN COC(=O)Cc1ccc(NCCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001650620088 1093476120 /nfs/dbraw/zinc/47/61/20/1093476120.db2.gz KLWCRTVPQPWSKU-UHFFFAOYSA-N 0 0 348.330 2.940 10 5 EFBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC001650652440 1093478618 /nfs/dbraw/zinc/47/86/18/1093478618.db2.gz JOXQPZSFEPRTCG-CQSZACIVSA-N 0 0 349.387 2.654 10 5 EFBERN Cc1cc(C)cc(OCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001650673887 1093480393 /nfs/dbraw/zinc/48/03/93/1093480393.db2.gz HMEJREPHBTWZHQ-UHFFFAOYSA-N 0 0 329.356 2.801 10 5 EFBERN CC(=O)Nc1cccc(OCCNc2ncc([N+](=O)[O-])cc2F)c1 ZINC001650729661 1093487743 /nfs/dbraw/zinc/48/77/43/1093487743.db2.gz LGIVPQFFUWFEMS-UHFFFAOYSA-N 0 0 334.307 2.578 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H](CO)c3c(F)cccc3F)nc2c1 ZINC001650744913 1093489653 /nfs/dbraw/zinc/48/96/53/1093489653.db2.gz QDMHIGNMRCFAHN-CYBMUJFWSA-N 0 0 334.282 2.895 10 5 EFBERN C[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])CC1(C)OCCO1 ZINC001650779249 1093493771 /nfs/dbraw/zinc/49/37/71/1093493771.db2.gz ITFYHCCZHXUBRN-NSHDSACASA-N 0 0 349.362 2.905 10 5 EFBERN O=C(N[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC001650785422 1093493866 /nfs/dbraw/zinc/49/38/66/1093493866.db2.gz XSGVFTWTHGXCNL-HNNXBMFYSA-N 0 0 325.368 2.994 10 5 EFBERN Cc1n[nH]c(=O)c(CNc2nccc3c2cccc3[N+](=O)[O-])c1C ZINC001650779456 1093494411 /nfs/dbraw/zinc/49/44/11/1093494411.db2.gz LOIIVFYRFMABLV-UHFFFAOYSA-N 0 0 325.328 2.868 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Nc1cnn(CC2CC2)c1 ZINC001650795769 1093495358 /nfs/dbraw/zinc/49/53/58/1093495358.db2.gz CIQWFIPJZZKHEE-UHFFFAOYSA-N 0 0 341.371 2.837 10 5 EFBERN Nc1nccc(C(=O)Nc2cc(-c3ccccc3)ns2)c1[N+](=O)[O-] ZINC001650833697 1093498570 /nfs/dbraw/zinc/49/85/70/1093498570.db2.gz DLXRUBHSZRTOAE-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN C[C@@H](CNc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001650862707 1093501710 /nfs/dbraw/zinc/50/17/10/1093501710.db2.gz TUUBVEMKIJLINN-LBPRGKRZSA-N 0 0 331.347 2.893 10 5 EFBERN CCC(CC)(CO)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001650883633 1093504488 /nfs/dbraw/zinc/50/44/88/1093504488.db2.gz QJEBUYDDFRFKMI-UHFFFAOYSA-N 0 0 348.359 2.684 10 5 EFBERN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCc2ccccc21 ZINC001650920947 1093509693 /nfs/dbraw/zinc/50/96/93/1093509693.db2.gz QSQBDESUKKFGDV-GOSISDBHSA-N 0 0 341.367 2.719 10 5 EFBERN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001650953836 1093512369 /nfs/dbraw/zinc/51/23/69/1093512369.db2.gz ZAJWZGGILBOHRB-KGLIPLIRSA-N 0 0 341.367 2.837 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCc2nc[nH]c2C1 ZINC001651109648 1093528451 /nfs/dbraw/zinc/52/84/51/1093528451.db2.gz YHGZZJVBZDVDDX-JTQLQIEISA-N 0 0 337.339 2.610 10 5 EFBERN COC(=O)/C=C\c1ccc(NCCc2cnc(C)cn2)c([N+](=O)[O-])c1 ZINC001651125929 1093529474 /nfs/dbraw/zinc/52/94/74/1093529474.db2.gz JTSQCJVPQIHMCC-XQRVVYSFSA-N 0 0 342.355 2.534 10 5 EFBERN Nc1nc(NCC2(c3c(F)cccc3F)CCC2)ncc1[N+](=O)[O-] ZINC001651149024 1093532351 /nfs/dbraw/zinc/53/23/51/1093532351.db2.gz GQQIZAFCZVKGOQ-UHFFFAOYSA-N 0 0 335.314 2.779 10 5 EFBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ncc(Cl)cn1 ZINC001651152856 1093532599 /nfs/dbraw/zinc/53/25/99/1093532599.db2.gz KJARMGKMCAQPQU-UHFFFAOYSA-N 0 0 344.718 2.681 10 5 EFBERN O=C(Cc1cscn1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001651152982 1093533001 /nfs/dbraw/zinc/53/30/01/1093533001.db2.gz PDGYDFFICYUKTD-UHFFFAOYSA-N 0 0 329.341 2.623 10 5 EFBERN COCCCCN(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651155665 1093534138 /nfs/dbraw/zinc/53/41/38/1093534138.db2.gz KHYMVFWTOHOVPM-UHFFFAOYSA-N 0 0 334.332 2.914 10 5 EFBERN COC(=O)c1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)s1 ZINC001651163827 1093534227 /nfs/dbraw/zinc/53/42/27/1093534227.db2.gz SXKWQVNYQRKFCF-UHFFFAOYSA-N 0 0 344.352 2.998 10 5 EFBERN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1nccc(N)n1 ZINC001651190125 1093538531 /nfs/dbraw/zinc/53/85/31/1093538531.db2.gz RQJZACKCLYGLOV-SSDOTTSWSA-N 0 0 338.165 2.903 10 5 EFBERN COc1nscc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001651233387 1093543505 /nfs/dbraw/zinc/54/35/05/1093543505.db2.gz OOFVXLGHBKAPDY-UHFFFAOYSA-N 0 0 345.283 2.914 10 5 EFBERN Cc1coc(C(=O)NCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001267331308 1093596250 /nfs/dbraw/zinc/59/62/50/1093596250.db2.gz DPBXYRMHTZQWFI-UHFFFAOYSA-N 0 0 343.383 2.891 10 5 EFBERN CC(=O)CCc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000021820609 1094291844 /nfs/dbraw/zinc/29/18/44/1094291844.db2.gz WOBAIMOIUFYURT-UHFFFAOYSA-N 0 0 349.364 2.884 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OC ZINC000843619583 1094385960 /nfs/dbraw/zinc/38/59/60/1094385960.db2.gz OJXLYMGESUQDSD-NOZJJQNGSA-N 0 0 342.779 2.956 10 5 EFBERN C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)[C@H](C)O1 ZINC001593694324 1094408645 /nfs/dbraw/zinc/40/86/45/1094408645.db2.gz QNEWFVCSJQMHCJ-GBIKHYSHSA-N 0 0 330.344 2.737 10 5 EFBERN COc1cc(C(=O)Nc2nc(C(F)(F)F)co2)ccc1[N+](=O)[O-] ZINC001595386602 1094464286 /nfs/dbraw/zinc/46/42/86/1094464286.db2.gz UUIDXXFLASYABG-UHFFFAOYSA-N 0 0 331.206 2.863 10 5 EFBERN Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])nnn1-c1ccc(F)cc1 ZINC001595470054 1094471229 /nfs/dbraw/zinc/47/12/29/1094471229.db2.gz CDLQLSHMOOMZQU-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C(F)(F)F)n1 ZINC001595463501 1094471253 /nfs/dbraw/zinc/47/12/53/1094471253.db2.gz NCKVSLPURRXOTN-UHFFFAOYSA-N 0 0 331.206 2.863 10 5 EFBERN CN1Cc2ccccc2[C@@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001595478826 1094472182 /nfs/dbraw/zinc/47/21/82/1094472182.db2.gz JGIMUZSPAHRPGO-INIZCTEOSA-N 0 0 347.321 2.790 10 5 EFBERN CN1CCOc2ccc(COC(=O)c3c(F)cccc3[N+](=O)[O-])cc21 ZINC001595531421 1094475608 /nfs/dbraw/zinc/47/56/08/1094475608.db2.gz LVGHUJPUSLIRLK-UHFFFAOYSA-N 0 0 346.314 2.920 10 5 EFBERN Cn1cc(COC(=O)CSc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC001595544652 1094476955 /nfs/dbraw/zinc/47/69/55/1094476955.db2.gz CCKPUKGSDBDEDD-UHFFFAOYSA-N 0 0 341.776 2.817 10 5 EFBERN COCc1ccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC001595643829 1094481064 /nfs/dbraw/zinc/48/10/64/1094481064.db2.gz CIWLTNGYUWQIGE-UHFFFAOYSA-N 0 0 349.774 2.907 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001595676923 1094483960 /nfs/dbraw/zinc/48/39/60/1094483960.db2.gz RQYULVPXSPMUMH-NEPJUHHUSA-N 0 0 330.388 2.956 10 5 EFBERN CCC[C@@H](OCC)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001595682715 1094485839 /nfs/dbraw/zinc/48/58/39/1094485839.db2.gz IMLDDWMMDPFNFI-OAHLLOKOSA-N 0 0 348.403 2.725 10 5 EFBERN O=C(NCc1cccc(F)c1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001595786126 1094494515 /nfs/dbraw/zinc/49/45/15/1094494515.db2.gz PUJUVLRJXPZXPZ-UHFFFAOYSA-N 0 0 336.250 2.532 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1c2c(ccc1F)OCO2 ZINC001595923880 1094504383 /nfs/dbraw/zinc/50/43/83/1094504383.db2.gz OTRSYUBCZGAZIJ-UHFFFAOYSA-N 0 0 336.250 2.783 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1nccnc1Cl ZINC001596061322 1094511254 /nfs/dbraw/zinc/51/12/54/1094511254.db2.gz AKOSAECSKNPDJT-UHFFFAOYSA-N 0 0 327.127 2.622 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](c1cccnc1)C(C)C ZINC001596210620 1094519242 /nfs/dbraw/zinc/51/92/42/1094519242.db2.gz OIYOBDGAZUPNRE-CQSZACIVSA-N 0 0 330.344 2.772 10 5 EFBERN CO[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001596217619 1094519730 /nfs/dbraw/zinc/51/97/30/1094519730.db2.gz ZXAMZDUYCLFYME-GXFFZTMASA-N 0 0 339.344 2.556 10 5 EFBERN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)nc1 ZINC001596292637 1094524716 /nfs/dbraw/zinc/52/47/16/1094524716.db2.gz AGHGHZSLEGDYRJ-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN COC(=O)C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC001596384380 1094529283 /nfs/dbraw/zinc/52/92/83/1094529283.db2.gz WHKZVTVZQLHSCQ-ZYHUDNBSSA-N 0 0 346.339 2.612 10 5 EFBERN CCOC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)nc1 ZINC001596417105 1094531369 /nfs/dbraw/zinc/53/13/69/1094531369.db2.gz KTSRZVGENBKXOK-UHFFFAOYSA-N 0 0 343.339 2.981 10 5 EFBERN Cc1cc(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC001596517928 1094535238 /nfs/dbraw/zinc/53/52/38/1094535238.db2.gz KQRAFUQSTHVLKW-KRWDZBQOSA-N 0 0 347.415 2.955 10 5 EFBERN CNC(=O)N(C)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001596653074 1094540413 /nfs/dbraw/zinc/54/04/13/1094540413.db2.gz HCJISUWHRGKKAW-UHFFFAOYSA-N 0 0 342.355 2.931 10 5 EFBERN CCc1ccc(C(=O)NC[C@](C)(O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001596689879 1094542148 /nfs/dbraw/zinc/54/21/48/1094542148.db2.gz UWHNDKNPGHBZED-SFHVURJKSA-N 0 0 346.358 2.934 10 5 EFBERN CCC[C@@H](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001596711348 1094542662 /nfs/dbraw/zinc/54/26/62/1094542662.db2.gz HAWRPHBLJAWJDD-GFCCVEGCSA-N 0 0 331.376 2.732 10 5 EFBERN COC(=O)/C=C/c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001596983716 1094556843 /nfs/dbraw/zinc/55/68/43/1094556843.db2.gz SHOUBXQAGFDLTE-UQSGXBNBSA-N 0 0 344.323 2.865 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1c(Cl)ccc2cnccc21 ZINC001597013828 1094559840 /nfs/dbraw/zinc/55/98/40/1094559840.db2.gz KZIOEDDHLWZGLH-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN O=C(OCc1ccc(F)cn1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001597048036 1094562083 /nfs/dbraw/zinc/56/20/83/1094562083.db2.gz RDGDRLRJRAFVSB-UHFFFAOYSA-N 0 0 348.286 2.647 10 5 EFBERN C[C@@]1(CO)CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001597115146 1094566284 /nfs/dbraw/zinc/56/62/84/1094566284.db2.gz BMYFEWYKKCAWSY-GOSISDBHSA-N 0 0 343.383 2.565 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnccc1C(F)(F)F ZINC001597287577 1094576726 /nfs/dbraw/zinc/57/67/26/1094576726.db2.gz VWHYLVVMQLWAIF-UHFFFAOYSA-N 0 0 343.265 2.542 10 5 EFBERN Cc1ccc(CNC(=O)c2coc(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC001597278739 1094577149 /nfs/dbraw/zinc/57/71/49/1094577149.db2.gz NLZXMWWVGMCCBZ-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC001597278793 1094577201 /nfs/dbraw/zinc/57/72/01/1094577201.db2.gz PTMOYSFONZOXOD-UHFFFAOYSA-N 0 0 343.339 2.979 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc2nnn(C)c2c1 ZINC001597301755 1094578746 /nfs/dbraw/zinc/57/87/46/1094578746.db2.gz SFCXQMJWLAUAKN-UHFFFAOYSA-N 0 0 340.339 2.850 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1conc1C(F)(F)F ZINC001597364567 1094583342 /nfs/dbraw/zinc/58/33/42/1094583342.db2.gz MKSPCPGGTGKLPT-UHFFFAOYSA-N 0 0 345.233 2.540 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC001597524883 1094596369 /nfs/dbraw/zinc/59/63/69/1094596369.db2.gz BXGWUWDAQZOGDG-LLVKDONJSA-N 0 0 334.357 2.859 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc2nccnc21 ZINC001597541368 1094598940 /nfs/dbraw/zinc/59/89/40/1094598940.db2.gz MFYVDHOGIDSSHT-UHFFFAOYSA-N 0 0 337.339 2.979 10 5 EFBERN CC1(C)COc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2NC1=O ZINC001597566051 1094599647 /nfs/dbraw/zinc/59/96/47/1094599647.db2.gz RYURONUGRYERJN-UHFFFAOYSA-N 0 0 345.311 2.797 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nccc(C(F)(F)F)n2)c1 ZINC001597560763 1094599927 /nfs/dbraw/zinc/59/99/27/1094599927.db2.gz XZNSMCADNSRCHH-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN O=C(NCc1nc2c([nH]1)CCCC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001597584591 1094602286 /nfs/dbraw/zinc/60/22/86/1094602286.db2.gz GSSBLJCXLSPKJK-KGLIPLIRSA-N 0 0 340.383 2.617 10 5 EFBERN C[C@@H](NC(=O)C(=O)c1cnn(C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC001597620427 1094607127 /nfs/dbraw/zinc/60/71/27/1094607127.db2.gz YKNHFBXENRECOX-LLVKDONJSA-N 0 0 344.371 2.606 10 5 EFBERN C[C@H]1CC(C)(C)CN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001597630911 1094607511 /nfs/dbraw/zinc/60/75/11/1094607511.db2.gz INXYLAUBFQCQJX-NHYWBVRUSA-N 0 0 331.372 2.735 10 5 EFBERN COC(=O)c1ccccc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001620977465 1094610864 /nfs/dbraw/zinc/61/08/64/1094610864.db2.gz RJAOVYQKRGVRGE-UHFFFAOYSA-N 0 0 326.308 2.537 10 5 EFBERN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001597655120 1094611823 /nfs/dbraw/zinc/61/18/23/1094611823.db2.gz AVYNGTAQVABLFV-MEBBXXQBSA-N 0 0 326.356 2.625 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001597683620 1094613491 /nfs/dbraw/zinc/61/34/91/1094613491.db2.gz JDNFSHKPRKLSMX-UHFFFAOYSA-N 0 0 327.340 2.539 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1nccn1 ZINC001597701061 1094615262 /nfs/dbraw/zinc/61/52/62/1094615262.db2.gz LNKOTHOLWWNKKT-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN COc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC001597742755 1094619131 /nfs/dbraw/zinc/61/91/31/1094619131.db2.gz IFGRLHKDQYDVLD-UHFFFAOYSA-N 0 0 346.295 2.593 10 5 EFBERN Cc1ncc(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)s1 ZINC001597775321 1094621472 /nfs/dbraw/zinc/62/14/72/1094621472.db2.gz WXTJDNPWAQRAEG-UHFFFAOYSA-N 0 0 343.368 2.680 10 5 EFBERN O=C(NCC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001597803659 1094626209 /nfs/dbraw/zinc/62/62/09/1094626209.db2.gz GVMVRMAUSBFNFK-IFIJOSMWSA-N 0 0 343.383 2.640 10 5 EFBERN Cc1cc(C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)cc([N+](=O)[O-])c1 ZINC001597812571 1094627982 /nfs/dbraw/zinc/62/79/82/1094627982.db2.gz HCYBQVJGLPKZKI-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)sn1 ZINC001597864023 1094633541 /nfs/dbraw/zinc/63/35/41/1094633541.db2.gz WIPHMPCQRNKUTJ-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(Cl)ncc1Cl ZINC001597918993 1094639884 /nfs/dbraw/zinc/63/98/84/1094639884.db2.gz FFHANQXGUQGGLX-UHFFFAOYSA-N 0 0 343.126 2.953 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC001597918578 1094639894 /nfs/dbraw/zinc/63/98/94/1094639894.db2.gz AFKQPZJZBIVFCG-UHFFFAOYSA-N 0 0 337.376 2.921 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(-c2ccccc2)no1 ZINC001597918633 1094640323 /nfs/dbraw/zinc/64/03/23/1094640323.db2.gz BEVPQKCCHABZDL-UHFFFAOYSA-N 0 0 340.295 2.906 10 5 EFBERN CCOC(=O)c1c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccn1C ZINC001597926482 1094641481 /nfs/dbraw/zinc/64/14/81/1094641481.db2.gz SASJIMUSMZATKK-UHFFFAOYSA-N 0 0 345.355 2.979 10 5 EFBERN CC[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H]1CC1(C)C ZINC001597967034 1094644185 /nfs/dbraw/zinc/64/41/85/1094644185.db2.gz QDSLTJARZCNZSH-STQMWFEESA-N 0 0 343.387 2.730 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(Cl)c2)C(F)F)n1 ZINC001598015889 1094645945 /nfs/dbraw/zinc/64/59/45/1094645945.db2.gz NITKGDPVRBDEPG-SNVBAGLBSA-N 0 0 344.705 2.718 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCCc2cccc(O)c21 ZINC001598217558 1094664910 /nfs/dbraw/zinc/66/49/10/1094664910.db2.gz ISXTUQPIVXCUJM-UHFFFAOYSA-N 0 0 330.315 2.961 10 5 EFBERN O=C(NCCc1sccc1Br)c1ccc([N+](=O)[O-])o1 ZINC001598260375 1094666209 /nfs/dbraw/zinc/66/62/09/1094666209.db2.gz SDOXSMPIUDMFBL-UHFFFAOYSA-N 0 0 345.174 2.984 10 5 EFBERN COc1cccc(C(=O)N=[S@](C)(=O)c2ccccc2)c1[N+](=O)[O-] ZINC001598302406 1094667984 /nfs/dbraw/zinc/66/79/84/1094667984.db2.gz RMDFYHPKEFZKIL-HSZRJFAPSA-N 0 0 334.353 2.901 10 5 EFBERN COc1c(C(=O)N=[S@@]2(=O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC001598323618 1094669780 /nfs/dbraw/zinc/66/97/80/1094669780.db2.gz JDELLXNGYBJDOB-XMMPIXPASA-N 0 0 346.364 2.827 10 5 EFBERN Cc1cc(C(N)=O)ccc1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001598362942 1094673676 /nfs/dbraw/zinc/67/36/76/1094673676.db2.gz SOKUQSGDRZUULE-UHFFFAOYSA-N 0 0 347.758 2.837 10 5 EFBERN CCC[C@@H](O)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001598452418 1094680151 /nfs/dbraw/zinc/68/01/51/1094680151.db2.gz MUESKAPAYGXQQA-CYBMUJFWSA-N 0 0 349.412 2.999 10 5 EFBERN C[C@@H](c1ccccc1)n1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1 ZINC001598446400 1094680517 /nfs/dbraw/zinc/68/05/17/1094680517.db2.gz BSBWTKQOXOJSQI-LBPRGKRZSA-N 0 0 339.355 2.991 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cc(Cl)nnc2C1 ZINC000843621844 1094684171 /nfs/dbraw/zinc/68/41/71/1094684171.db2.gz GKYIQYUUFXIODH-UHFFFAOYSA-N 0 0 332.747 2.545 10 5 EFBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001625910288 1095017820 /nfs/dbraw/zinc/01/78/20/1095017820.db2.gz KKGGNNJDZJIGTA-NSHDSACASA-N 0 0 329.312 2.923 10 5 EFBERN C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001625915426 1095184033 /nfs/dbraw/zinc/18/40/33/1095184033.db2.gz MMIQUOLIXBGSEJ-XHDPSFHLSA-N 0 0 339.351 2.898 10 5 EFBERN C[C@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001625915466 1095185747 /nfs/dbraw/zinc/18/57/47/1095185747.db2.gz NSUXJXLBJRRSGH-LBPRGKRZSA-N 0 0 341.367 2.504 10 5 EFBERN C/C(=C/C(=O)NC[C@H](C)Cn1ccnc1C)c1ccc([N+](=O)[O-])cc1 ZINC000785364912 1095220054 /nfs/dbraw/zinc/22/00/54/1095220054.db2.gz UHEXYRIDFVGLOR-ODUNQGDFSA-N 0 0 342.399 2.956 10 5 EFBERN C/C(=C\C(=O)NC[C@H](C)Cn1ccnc1C)c1ccc([N+](=O)[O-])cc1 ZINC000785364910 1095220743 /nfs/dbraw/zinc/22/07/43/1095220743.db2.gz UHEXYRIDFVGLOR-LFGHMXSPSA-N 0 0 342.399 2.956 10 5 EFBERN CCO/C=C\[C@](O)(CNc1nc(C)cc(C)c1[N+](=O)[O-])C(F)(F)F ZINC000828201474 1095245143 /nfs/dbraw/zinc/24/51/43/1095245143.db2.gz IUBKUGWTRSFXKO-SZZPACECSA-N 0 0 349.309 2.862 10 5 EFBERN C[C@@H](C(=O)N1CCc2cc(Cl)nnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000843624709 1095320559 /nfs/dbraw/zinc/32/05/59/1095320559.db2.gz GASCWQHQECQOPH-SNVBAGLBSA-N 0 0 346.774 2.727 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CCc3cc(O)ccc3C2)c1[N+](=O)[O-] ZINC001648941018 1095350273 /nfs/dbraw/zinc/35/02/73/1095350273.db2.gz IUKZWGLQHMHWOW-UHFFFAOYSA-N 0 0 330.315 2.946 10 5 EFBERN COc1cc(C(=O)N2CCN(C)c3ccccc32)c([N+](=O)[O-])cc1F ZINC001125811835 1095511352 /nfs/dbraw/zinc/51/13/52/1095511352.db2.gz HCRRDAVHMOIDBF-UHFFFAOYSA-N 0 0 345.330 2.839 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000843629126 1096015332 /nfs/dbraw/zinc/01/53/32/1096015332.db2.gz OCQJWAOFCQSVAE-QFSNBGPKSA-N 0 0 348.424 2.733 10 5 EFBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCSC2)C1 ZINC000843628853 1096029389 /nfs/dbraw/zinc/02/93/89/1096029389.db2.gz JZKLZBNCRKZMRB-AWEZNQCLSA-N 0 0 342.804 2.596 10 5 EFBERN CN(CCN(C)C(=O)CCc1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC001268231598 1096140239 /nfs/dbraw/zinc/14/02/39/1096140239.db2.gz DKSOZGIBXIPDTJ-UHFFFAOYSA-N 0 0 345.399 2.711 10 5 EFBERN CC1(CCC(=O)NCC2CN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001481652379 1096226553 /nfs/dbraw/zinc/22/65/53/1096226553.db2.gz TWRABZQUQHUCLN-UHFFFAOYSA-N 0 0 337.445 2.785 10 5 EFBERN Cc1ccc(NC(=O)c2cccc3ccc(=O)[nH]c32)c(N)c1[N+](=O)[O-] ZINC001603053415 1096426644 /nfs/dbraw/zinc/42/66/44/1096426644.db2.gz YKRGJCULWLKXHR-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN Cc1ccc(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)c(N)c1[N+](=O)[O-] ZINC001603053222 1096426734 /nfs/dbraw/zinc/42/67/34/1096426734.db2.gz VNTCRNLGYCXLRN-VIFPVBQESA-N 0 0 329.360 2.517 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000843697205 1096501174 /nfs/dbraw/zinc/50/11/74/1096501174.db2.gz AASMIJGJNCTBTQ-GSJFWJNXSA-N 0 0 337.332 2.579 10 5 EFBERN COc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1OC ZINC001625920770 1096861473 /nfs/dbraw/zinc/86/14/73/1096861473.db2.gz IJYYFLPBTAONNK-UHFFFAOYSA-N 0 0 332.312 2.630 10 5 EFBERN CCON(CC1CCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001626184740 1097174555 /nfs/dbraw/zinc/17/45/55/1097174555.db2.gz ZBKRSQDYAGZUQS-MRXNPFEDSA-N 0 0 336.388 2.989 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001606730288 1097448123 /nfs/dbraw/zinc/44/81/23/1097448123.db2.gz NPXJEVLYDDGPMG-NJZAAPMLSA-N 0 0 326.356 2.903 10 5 EFBERN CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOCC1 ZINC001606983202 1097489097 /nfs/dbraw/zinc/48/90/97/1097489097.db2.gz UUVCUJIXMSCEBL-UHFFFAOYSA-N 0 0 345.403 2.736 10 5 EFBERN Cc1nn(CCC(=O)Nc2nc(CC(C)C)co2)c(C)c1[N+](=O)[O-] ZINC001626195323 1097616892 /nfs/dbraw/zinc/61/68/92/1097616892.db2.gz GXHAQMHZJJNAIC-UHFFFAOYSA-N 0 0 335.364 2.623 10 5 EFBERN Cc1cc(NC(=O)c2ccoc2C2(O)CCOCC2)cc([N+](=O)[O-])c1 ZINC001607511483 1097646728 /nfs/dbraw/zinc/64/67/28/1097646728.db2.gz HKQYHJUKPPTIQX-UHFFFAOYSA-N 0 0 346.339 2.747 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC2([C@H]3CCCO3)CCC2)cc1[N+](=O)[O-] ZINC001607567221 1097662492 /nfs/dbraw/zinc/66/24/92/1097662492.db2.gz NOLCAMGTHWXQNB-CQSZACIVSA-N 0 0 349.343 2.643 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1Cc2cccnc2C1 ZINC001268853637 1097685766 /nfs/dbraw/zinc/68/57/66/1097685766.db2.gz CINBVSMJULFGSP-LBPRGKRZSA-N 0 0 334.335 2.892 10 5 EFBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)n1ccnc1 ZINC001268854514 1097686705 /nfs/dbraw/zinc/68/67/05/1097686705.db2.gz WKIHQGFKJKHZOB-NSHDSACASA-N 0 0 325.328 2.929 10 5 EFBERN CCC1(C(=O)NCC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001268862540 1097690656 /nfs/dbraw/zinc/69/06/56/1097690656.db2.gz KBTYMPIVXXSCKU-UHFFFAOYSA-N 0 0 331.416 2.723 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001608335352 1097896379 /nfs/dbraw/zinc/89/63/79/1097896379.db2.gz LKPOBTQGDAZVSK-OAHLLOKOSA-N 0 0 325.324 2.522 10 5 EFBERN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001269184336 1097929308 /nfs/dbraw/zinc/92/93/08/1097929308.db2.gz VELCGQYCSQPQTP-OAHLLOKOSA-N 0 0 349.387 2.540 10 5 EFBERN Cc1c(CNC(=O)c2cn(C)nc2-c2ccco2)cccc1[N+](=O)[O-] ZINC001269215854 1097952546 /nfs/dbraw/zinc/95/25/46/1097952546.db2.gz RDWOWWNUYDPOIA-UHFFFAOYSA-N 0 0 340.339 2.827 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC001269227115 1097964111 /nfs/dbraw/zinc/96/41/11/1097964111.db2.gz ZGLGEKDWAPLBKV-SNVBAGLBSA-N 0 0 328.328 2.723 10 5 EFBERN O=C(c1cc(C(F)(F)F)ncn1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126430413 1098498508 /nfs/dbraw/zinc/49/85/08/1098498508.db2.gz MHMOBJRMGNJJJO-UHFFFAOYSA-N 0 0 338.245 2.607 10 5 EFBERN COC(=O)c1nc(C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)cs1 ZINC001270144708 1098739031 /nfs/dbraw/zinc/73/90/31/1098739031.db2.gz NNJSWGGCNMHSNW-UHFFFAOYSA-N 0 0 339.304 2.538 10 5 EFBERN Cc1nn(CC(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)c2ncccc12 ZINC001270143420 1098740426 /nfs/dbraw/zinc/74/04/26/1098740426.db2.gz BVSUULPUJULBRY-UHFFFAOYSA-N 0 0 343.318 2.734 10 5 EFBERN CN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3[N+](=O)[O-])ccc21 ZINC001125933835 1098816749 /nfs/dbraw/zinc/81/67/49/1098816749.db2.gz MIFRIDNZDNSISB-UHFFFAOYSA-N 0 0 343.314 2.895 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001126456397 1098849569 /nfs/dbraw/zinc/84/95/69/1098849569.db2.gz DSBSNMKWHFBXPK-JTQLQIEISA-N 0 0 348.378 2.754 10 5 EFBERN O=C(Nc1cc(F)ccc1O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001610905920 1098961082 /nfs/dbraw/zinc/96/10/82/1098961082.db2.gz OEHBLBJIDICHOP-UHFFFAOYSA-N 0 0 348.286 2.853 10 5 EFBERN O=C(Cc1cccnc1Cl)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001610922662 1098963342 /nfs/dbraw/zinc/96/33/42/1098963342.db2.gz HAFGWMJAQJQOON-UHFFFAOYSA-N 0 0 331.719 2.701 10 5 EFBERN COc1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n(C)n1 ZINC001610962173 1098966611 /nfs/dbraw/zinc/96/66/11/1098966611.db2.gz KCBYDGWIKRNDLA-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001611071615 1098976957 /nfs/dbraw/zinc/97/69/57/1098976957.db2.gz XCECNBVWZJHPDU-OAHLLOKOSA-N 0 0 330.315 2.664 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001611170637 1098987736 /nfs/dbraw/zinc/98/77/36/1098987736.db2.gz GNRHPBLWUPVOAC-IUODEOHRSA-N 0 0 338.791 2.865 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c(C)noc1CC ZINC001611193720 1098989912 /nfs/dbraw/zinc/98/99/12/1098989912.db2.gz HKXZGZZYPPJACP-UHFFFAOYSA-N 0 0 333.344 2.782 10 5 EFBERN CCc1onc(C)c1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001611194185 1098990223 /nfs/dbraw/zinc/99/02/23/1098990223.db2.gz PPBNUYKHNNRUJF-UHFFFAOYSA-N 0 0 332.360 2.572 10 5 EFBERN NC(=O)c1cc(NC(=O)CCc2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC001611284282 1098996501 /nfs/dbraw/zinc/99/65/01/1098996501.db2.gz MWBDFWYBGMVAFU-UHFFFAOYSA-N 0 0 349.293 2.543 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001611323416 1099001696 /nfs/dbraw/zinc/00/16/96/1099001696.db2.gz ZNAPXVZUYRLZSJ-LSDHHAIUSA-N 0 0 339.351 2.744 10 5 EFBERN Cc1c(C(=O)NC[Si](C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001611339131 1099002061 /nfs/dbraw/zinc/00/20/61/1099002061.db2.gz FUKJFUJGOIZZIX-UHFFFAOYSA-N 0 0 328.444 2.788 10 5 EFBERN O=C(Nc1cc2cc[nH]c2cn1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001611372036 1099005541 /nfs/dbraw/zinc/00/55/41/1099005541.db2.gz JUGYBEXNHSKOSN-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 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C[C@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001630535017 1100314753 /nfs/dbraw/zinc/31/47/53/1100314753.db2.gz XJQOPZGGPSILIO-GDLVEWKHSA-N 0 0 328.372 2.861 10 5 EFBERN COc1cc(CO)ccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001630534804 1100315312 /nfs/dbraw/zinc/31/53/12/1100315312.db2.gz SOEZQVKCBWXXEP-LLVKDONJSA-N 0 0 330.340 2.587 10 5 EFBERN CNc1nc(C)ccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001630559524 1100318807 /nfs/dbraw/zinc/31/88/07/1100318807.db2.gz GAIYKBARYDPGBM-UHFFFAOYSA-N 0 0 334.763 2.923 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CCC(C)(C)C)C(N)=O ZINC001270968747 1100319195 /nfs/dbraw/zinc/31/91/95/1100319195.db2.gz RSBPTLUUHFMLTM-CYBMUJFWSA-N 0 0 335.404 2.622 10 5 EFBERN COc1cc(F)c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1F ZINC001630575920 1100319757 /nfs/dbraw/zinc/31/97/57/1100319757.db2.gz QCYPSCPJZJTODJ-UHFFFAOYSA-N 0 0 332.650 2.510 10 5 EFBERN CC1(C)c2ccccc2CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001630676087 1100328140 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LOSDRUNBASQTCX-ZDUSSCGKSA-N 0 0 343.383 2.898 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](O)c1ccccc1Cl ZINC001630886167 1100350347 /nfs/dbraw/zinc/35/03/47/1100350347.db2.gz IBPXCMAZNBJEJJ-CQSZACIVSA-N 0 0 335.747 2.962 10 5 EFBERN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001631033133 1100363258 /nfs/dbraw/zinc/36/32/58/1100363258.db2.gz ARPVNHVHAHEFNN-IAQYHMDHSA-N 0 0 332.331 2.976 10 5 EFBERN COc1ccc(O)c(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001631089414 1100368478 /nfs/dbraw/zinc/36/84/78/1100368478.db2.gz AKZNXKGHOMBYEV-UHFFFAOYSA-N 0 0 338.266 2.517 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2cc[nH]c2n1 ZINC001631094463 1100369308 /nfs/dbraw/zinc/36/93/08/1100369308.db2.gz QZMAMGVKYHTGDI-UHFFFAOYSA-N 0 0 332.266 2.679 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC001631099030 1100369625 /nfs/dbraw/zinc/36/96/25/1100369625.db2.gz NRCOMTCVUZTBPU-UHFFFAOYSA-N 0 0 331.719 2.959 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC001631103399 1100370983 /nfs/dbraw/zinc/37/09/83/1100370983.db2.gz VKIHAJNGMMTXSJ-CYBMUJFWSA-N 0 0 343.387 2.856 10 5 EFBERN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2F)cc1O ZINC001631155100 1100375547 /nfs/dbraw/zinc/37/55/47/1100375547.db2.gz PLADXXPFPUSCFJ-UHFFFAOYSA-N 0 0 334.303 2.720 10 5 EFBERN O=C(NCc1ccnc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC001631153875 1100376405 /nfs/dbraw/zinc/37/64/05/1100376405.db2.gz OHXDYAPYRLMEDX-UHFFFAOYSA-N 0 0 336.145 2.682 10 5 EFBERN CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC001631297110 1100386120 /nfs/dbraw/zinc/38/61/20/1100386120.db2.gz GZIUTCZZMWSFDH-MRXNPFEDSA-N 0 0 330.340 2.690 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1NC(=O)CC12CCCCCC2 ZINC001631349181 1100390726 /nfs/dbraw/zinc/39/07/26/1100390726.db2.gz KTAWPOYMZJOSPM-UHFFFAOYSA-N 0 0 347.371 2.574 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2ccc(O)cc2F)cc1[N+](=O)[O-] ZINC001631361624 1100391695 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10 5 EFBERN CC(C)C(=O)c1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001631518595 1100406631 /nfs/dbraw/zinc/40/66/31/1100406631.db2.gz TUSAAQVZTLYNSD-UHFFFAOYSA-N 0 0 328.328 2.663 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC001631606329 1100413686 /nfs/dbraw/zinc/41/36/86/1100413686.db2.gz SBQGZBCVBDMIOZ-UHFFFAOYSA-N 0 0 334.759 2.979 10 5 EFBERN Nc1ncc(C(=O)Nc2ccc(F)cc2NC2CC2)cc1[N+](=O)[O-] ZINC001631701235 1100420757 /nfs/dbraw/zinc/42/07/57/1100420757.db2.gz NLKXGZDOQADKKO-UHFFFAOYSA-N 0 0 331.307 2.538 10 5 EFBERN COc1cc(C(=O)N[C@@H]2CC(=O)c3ccccc32)cc([N+](=O)[O-])c1C ZINC001631715910 1100421477 /nfs/dbraw/zinc/42/14/77/1100421477.db2.gz MXJYLQBJSATLMH-CQSZACIVSA-N 0 0 340.335 2.969 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cn(C3CCC3)nn2)c1 ZINC001631735364 1100423747 /nfs/dbraw/zinc/42/37/47/1100423747.db2.gz HXXOTZYFSDDNMF-UHFFFAOYSA-N 0 0 347.400 2.563 10 5 EFBERN CCc1nn(C)cc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001631896642 1100438306 /nfs/dbraw/zinc/43/83/06/1100438306.db2.gz ITXZTGPKBOWNTF-UHFFFAOYSA-N 0 0 340.343 2.533 10 5 EFBERN CCCc1n[nH]c(C(=O)NCc2ccc3cccnc3c2)c1[N+](=O)[O-] ZINC001631968599 1100443282 /nfs/dbraw/zinc/44/32/82/1100443282.db2.gz LHFNACDNFSEFEM-UHFFFAOYSA-N 0 0 339.355 2.749 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2ncccc2SC)cc([N+](=O)[O-])c1 ZINC001632006698 1100447595 /nfs/dbraw/zinc/44/75/95/1100447595.db2.gz RJBZZVRHCHVZNV-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN CC[C@@](C)(CCO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001632169079 1100457818 /nfs/dbraw/zinc/45/78/18/1100457818.db2.gz KKZPHSNOBZFNGD-KRWDZBQOSA-N 0 0 331.372 2.611 10 5 EFBERN COc1cccc2c1CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC001632187460 1100458809 /nfs/dbraw/zinc/45/88/09/1100458809.db2.gz MVDKRQWSXDRIFJ-UHFFFAOYSA-N 0 0 327.340 2.558 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1nncc2ccccc21 ZINC001632259983 1100462801 /nfs/dbraw/zinc/46/28/01/1100462801.db2.gz IZMIUVNCVMSXPD-UHFFFAOYSA-N 0 0 334.295 2.667 10 5 EFBERN Nc1cc(F)c(F)cc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632260188 1100462957 /nfs/dbraw/zinc/46/29/57/1100462957.db2.gz JUYKORPIESFFRU-UHFFFAOYSA-N 0 0 333.254 2.584 10 5 EFBERN COCCOc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001632287066 1100465159 /nfs/dbraw/zinc/46/51/59/1100465159.db2.gz SVVCWVQTYKPFQI-UHFFFAOYSA-N 0 0 349.318 2.594 10 5 EFBERN Cc1ccc(CNC(=O)c2[nH]ncc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001632372309 1100469682 /nfs/dbraw/zinc/46/96/82/1100469682.db2.gz YTRUFTDKYBLRIR-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOc2ncccc2C1 ZINC001632408030 1100472567 /nfs/dbraw/zinc/47/25/67/1100472567.db2.gz FPWBJGDBMRHVHC-UHFFFAOYSA-N 0 0 339.307 2.771 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC001632453867 1100475312 /nfs/dbraw/zinc/47/53/12/1100475312.db2.gz CBVGBXGRNPGRJZ-UHFFFAOYSA-N 0 0 338.323 2.730 10 5 EFBERN CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001632478594 1100477241 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337.420 2.787 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc2cnccc2o1 ZINC001632787128 1100501023 /nfs/dbraw/zinc/50/10/23/1100501023.db2.gz WKLMUGXKWMPCQE-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN Nc1c(Cl)cc(C(=O)NOCCCC(F)(F)F)cc1[N+](=O)[O-] ZINC001632842853 1100503865 /nfs/dbraw/zinc/50/38/65/1100503865.db2.gz AFIIHDKAVMKTKA-UHFFFAOYSA-N 0 0 341.673 2.834 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001632981733 1100512460 /nfs/dbraw/zinc/51/24/60/1100512460.db2.gz RUVSMLYKVIRBQA-UHFFFAOYSA-N 0 0 348.742 2.870 10 5 EFBERN CCC(O)(CC)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001633006107 1100515239 /nfs/dbraw/zinc/51/52/39/1100515239.db2.gz CABGMYIERFYDOK-UHFFFAOYSA-N 0 0 347.774 2.641 10 5 EFBERN Cc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)sc1C=O ZINC001633003077 1100515313 /nfs/dbraw/zinc/51/53/13/1100515313.db2.gz CWMHMLLFHCKIGW-UHFFFAOYSA-N 0 0 346.364 2.681 10 5 EFBERN CN(CC(=O)Nc1nccc2cc[nH]c21)c1ccccc1[N+](=O)[O-] ZINC001633128566 1100524077 /nfs/dbraw/zinc/52/40/77/1100524077.db2.gz QAZCLOBWOIWQRK-UHFFFAOYSA-N 0 0 325.328 2.546 10 5 EFBERN C[C@@H]1Cn2nccc2N(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001633143436 1100525106 /nfs/dbraw/zinc/52/51/06/1100525106.db2.gz DPZBENOQMFNYMY-JTQLQIEISA-N 0 0 334.763 2.670 10 5 EFBERN Nc1c(C(=O)N(CCCCO)C2CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001633233075 1100530658 /nfs/dbraw/zinc/53/06/58/1100530658.db2.gz SBNOBLQDJFWURJ-UHFFFAOYSA-N 0 0 343.383 2.707 10 5 EFBERN CCn1nccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001633336186 1100537331 /nfs/dbraw/zinc/53/73/31/1100537331.db2.gz IYSGEBSGJKJWQL-UHFFFAOYSA-N 0 0 346.390 2.828 10 5 EFBERN Nc1ncc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-] ZINC001633350149 1100537565 /nfs/dbraw/zinc/53/75/65/1100537565.db2.gz CLJGFUZZBYGFPR-UHFFFAOYSA-N 0 0 344.346 2.558 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@]12CCO[C@H]1CCCC2 ZINC001633374820 1100539365 /nfs/dbraw/zinc/53/93/65/1100539365.db2.gz HUJBYUVNAQYETC-XJKSGUPXSA-N 0 0 330.344 2.759 10 5 EFBERN COc1ccc(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC001633375508 1100539817 /nfs/dbraw/zinc/53/98/17/1100539817.db2.gz ZUTPRTRBWKZECT-UHFFFAOYSA-N 0 0 340.339 2.969 10 5 EFBERN CC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001633492300 1100545480 /nfs/dbraw/zinc/54/54/80/1100545480.db2.gz ICHVFOXREBEMDV-INIZCTEOSA-N 0 0 344.342 2.593 10 5 EFBERN COc1ccc2[nH]c([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC001633533484 1100548711 /nfs/dbraw/zinc/54/87/11/1100548711.db2.gz XJNCPCSZJYIUDA-SNVBAGLBSA-N 0 0 340.339 2.971 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ncccc1C ZINC001633565194 1100550788 /nfs/dbraw/zinc/55/07/88/1100550788.db2.gz RSGGEFBYDURXLX-GFCCVEGCSA-N 0 0 344.371 2.867 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001633587232 1100551861 /nfs/dbraw/zinc/55/18/61/1100551861.db2.gz AAWQNLHDIBHVCM-MFKMUULPSA-N 0 0 339.779 2.518 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001633587233 1100551971 /nfs/dbraw/zinc/55/19/71/1100551971.db2.gz AAWQNLHDIBHVCM-ZWNOBZJWSA-N 0 0 339.779 2.518 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cccnc3n2C)c1C ZINC001633597094 1100553042 /nfs/dbraw/zinc/55/30/42/1100553042.db2.gz TUAGDEPBFBDHEJ-UHFFFAOYSA-N 0 0 325.328 2.746 10 5 EFBERN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nncs1 ZINC001633593712 1100553082 /nfs/dbraw/zinc/55/30/82/1100553082.db2.gz JAXNFEXRMOOUDG-UHFFFAOYSA-N 0 0 332.263 2.742 10 5 EFBERN CS[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001633650423 1100556774 /nfs/dbraw/zinc/55/67/74/1100556774.db2.gz VZYLZYWEPDPEHV-HAQNSBGRSA-N 0 0 343.836 2.984 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001633656542 1100557529 /nfs/dbraw/zinc/55/75/29/1100557529.db2.gz MWSADXBUMLYTJV-UHFFFAOYSA-N 0 0 348.742 2.965 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(F)cc2)n1 ZINC001633762105 1100564228 /nfs/dbraw/zinc/56/42/28/1100564228.db2.gz VXGZHPGBPHFSRI-UHFFFAOYSA-N 0 0 342.286 2.714 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001633909281 1100573524 /nfs/dbraw/zinc/57/35/24/1100573524.db2.gz UZZRSYPAJOHWFA-QMMMGPOBSA-N 0 0 338.726 2.977 10 5 EFBERN CC[C@H](NC(=O)NCCc1cc(C)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC001633922069 1100574333 /nfs/dbraw/zinc/57/43/33/1100574333.db2.gz WHMOFTKRKCQTDG-INIZCTEOSA-N 0 0 345.403 2.630 10 5 EFBERN CC[C@H]1COCCN1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001633942827 1100576784 /nfs/dbraw/zinc/57/67/84/1100576784.db2.gz KHSLCBBXSCWNBO-HNNXBMFYSA-N 0 0 349.431 2.559 10 5 EFBERN O=C(Nc1nc2ccsc2s1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001634087968 1100583980 /nfs/dbraw/zinc/58/39/80/1100583980.db2.gz YQOAEDXKTPPPEJ-JTQLQIEISA-N 0 0 335.366 2.938 10 5 EFBERN Cc1c(CNC(=O)c2c[nH]nc2-c2ccco2)cccc1[N+](=O)[O-] ZINC001634103772 1100584781 /nfs/dbraw/zinc/58/47/81/1100584781.db2.gz IVBVDSJXSJCTRZ-UHFFFAOYSA-N 0 0 326.312 2.816 10 5 EFBERN Cc1c(C(=O)N2CCn3cccc3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001634140364 1100587488 /nfs/dbraw/zinc/58/74/88/1100587488.db2.gz YPQGCVJBAKLMSB-UHFFFAOYSA-N 0 0 344.327 2.577 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001634150304 1100588181 /nfs/dbraw/zinc/58/81/81/1100588181.db2.gz VQHADWGSYSLGLS-ZFWWWQNUSA-N 0 0 340.383 2.713 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001634150299 1100588569 /nfs/dbraw/zinc/58/85/69/1100588569.db2.gz VQHADWGSYSLGLS-DZGCQCFKSA-N 0 0 340.383 2.713 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3ccc(F)cn3)CC2)n1 ZINC001634226424 1100592054 /nfs/dbraw/zinc/59/20/54/1100592054.db2.gz PKSFGNTWRYVWBB-UHFFFAOYSA-N 0 0 344.346 2.852 10 5 EFBERN Cc1ccc(F)c(CN(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001634251419 1100592943 /nfs/dbraw/zinc/59/29/43/1100592943.db2.gz OFFQENCZIZDNSE-MRXNPFEDSA-N 0 0 332.331 2.734 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2noc(C(F)(F)F)n2)c1C ZINC001634282371 1100595864 /nfs/dbraw/zinc/59/58/64/1100595864.db2.gz VMBPQJYSIDENSU-UHFFFAOYSA-N 0 0 344.249 2.543 10 5 EFBERN O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC001634347030 1100601435 /nfs/dbraw/zinc/60/14/35/1100601435.db2.gz OFVWMLORGBOMHK-HNNXBMFYSA-N 0 0 325.324 2.798 10 5 EFBERN CCOCc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001634527738 1100613747 /nfs/dbraw/zinc/61/37/47/1100613747.db2.gz OOCOSKAJOJPCBY-INIZCTEOSA-N 0 0 330.340 2.803 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)c(N)c([N+](=O)[O-])c1 ZINC001634545534 1100615520 /nfs/dbraw/zinc/61/55/20/1100615520.db2.gz PVTWMVKSPGHSIQ-MLGOLLRUSA-N 0 0 345.330 2.687 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1coc(CO)c1 ZINC001634560738 1100616162 /nfs/dbraw/zinc/61/61/62/1100616162.db2.gz JPSAKYOAYPVPTL-UHFFFAOYSA-N 0 0 344.245 2.629 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(N(C)C(N)=O)c1 ZINC001634560639 1100616514 /nfs/dbraw/zinc/61/65/14/1100616514.db2.gz GVXTVMQZVWLXDB-UHFFFAOYSA-N 0 0 342.355 2.979 10 5 EFBERN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001634612591 1100618852 /nfs/dbraw/zinc/61/88/52/1100618852.db2.gz BKFBBMMSJQOUSK-CQSZACIVSA-N 0 0 328.372 2.665 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001634633832 1100620575 /nfs/dbraw/zinc/62/05/75/1100620575.db2.gz DEUSZTYGMQZUIY-IAQYHMDHSA-N 0 0 344.371 2.969 10 5 EFBERN C[C@@H]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001634644673 1100621624 /nfs/dbraw/zinc/62/16/24/1100621624.db2.gz HOGSPFVHUHLUEK-OLZOCXBDSA-N 0 0 333.388 2.804 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001634729046 1100626302 /nfs/dbraw/zinc/62/63/02/1100626302.db2.gz NIBKYNRDVPZFBF-NWDGAFQWSA-N 0 0 340.326 2.786 10 5 EFBERN O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1c(F)cccc1[N+](=O)[O-] ZINC001634718879 1100626366 /nfs/dbraw/zinc/62/63/66/1100626366.db2.gz ZRIYNKKTSJEMAW-UHFFFAOYSA-N 0 0 327.271 2.828 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NN1CCCc2ccccc21 ZINC001634831979 1100631791 /nfs/dbraw/zinc/63/17/91/1100631791.db2.gz CICVKLRYZFWZIE-UHFFFAOYSA-N 0 0 329.331 2.760 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001634862486 1100633393 /nfs/dbraw/zinc/63/33/93/1100633393.db2.gz BBMJPLOJZBQOJI-HUUCEWRRSA-N 0 0 328.372 2.561 10 5 EFBERN C[C@H](O)c1ncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC001634863950 1100633533 /nfs/dbraw/zinc/63/35/33/1100633533.db2.gz JWMKZNOTOGCWFT-NSHDSACASA-N 0 0 349.412 2.857 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CCN2 ZINC001634886734 1100634213 /nfs/dbraw/zinc/63/42/13/1100634213.db2.gz PNXLTLZTKGUKIF-UHFFFAOYSA-N 0 0 337.339 2.852 10 5 EFBERN O=C(N[C@H](CO)CC1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001634906972 1100634633 /nfs/dbraw/zinc/63/46/33/1100634633.db2.gz REFMVQHHHDMLED-ZDUSSCGKSA-N 0 0 342.342 2.744 10 5 EFBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1noc(C)n1 ZINC001635233045 1100650251 /nfs/dbraw/zinc/65/02/51/1100650251.db2.gz LRLWAYUGYVVULZ-LBPRGKRZSA-N 0 0 329.316 2.649 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2ccncc2c1 ZINC001635282107 1100653110 /nfs/dbraw/zinc/65/31/10/1100653110.db2.gz LVNIZTFLBKXADZ-UHFFFAOYSA-N 0 0 347.334 2.949 10 5 EFBERN CC1(C)CC[C@H](CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)OC1 ZINC001635281999 1100653161 /nfs/dbraw/zinc/65/31/61/1100653161.db2.gz GBQPUZXCROWVEH-GFCCVEGCSA-N 0 0 346.387 2.683 10 5 EFBERN CN(Cc1cccn1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001635336229 1100656003 /nfs/dbraw/zinc/65/60/03/1100656003.db2.gz QREUFYPMZHJVFJ-UHFFFAOYSA-N 0 0 340.742 2.580 10 5 EFBERN COc1ccc2c(c1)[nH]nc2NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001635443597 1100662254 /nfs/dbraw/zinc/66/22/54/1100662254.db2.gz BUPYWACMLAAUAD-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN COc1ccccc1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001635504511 1100665693 /nfs/dbraw/zinc/66/56/93/1100665693.db2.gz DROZJFQVEPLVRE-NSHDSACASA-N 0 0 329.356 2.547 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC001635518086 1100665746 /nfs/dbraw/zinc/66/57/46/1100665746.db2.gz TVENSPVHZJDENS-DJIMGWMZSA-N 0 0 347.415 2.844 10 5 EFBERN CC1(C)CCC[C@@](O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC001635546660 1100667087 /nfs/dbraw/zinc/66/70/87/1100667087.db2.gz DZSVQYQHNOGHNN-KRWDZBQOSA-N 0 0 335.404 2.628 10 5 EFBERN CCC[C@@H](CCO)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635619102 1100670368 /nfs/dbraw/zinc/67/03/68/1100670368.db2.gz HTSZEAJSGBPTGF-NSHDSACASA-N 0 0 328.796 2.706 10 5 EFBERN Cc1cccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1F ZINC001635617333 1100670571 /nfs/dbraw/zinc/67/05/71/1100670571.db2.gz CPLAGYCTYFQLCP-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC001635720184 1100675902 /nfs/dbraw/zinc/67/59/02/1100675902.db2.gz NNVDMPVSLMKVKX-CYBMUJFWSA-N 0 0 338.747 2.542 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nn1nnc2c1CCCC2 ZINC001635754098 1100677532 /nfs/dbraw/zinc/67/75/32/1100677532.db2.gz YTFOHYHQTNUGBT-UHFFFAOYSA-N 0 0 347.400 2.561 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001635841239 1100682829 /nfs/dbraw/zinc/68/28/29/1100682829.db2.gz LGVOKSVHWCHGOK-LBPRGKRZSA-N 0 0 340.335 2.667 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C ZINC001635914507 1100687051 /nfs/dbraw/zinc/68/70/51/1100687051.db2.gz FHBCASXFZFFRGR-ZDUSSCGKSA-N 0 0 347.371 2.784 10 5 EFBERN Cc1ccc(CNC(=O)c2cccc3[nH]c(=O)oc32)cc1[N+](=O)[O-] ZINC001635926210 1100687722 /nfs/dbraw/zinc/68/77/22/1100687722.db2.gz NUMGVSBTUJNRRZ-UHFFFAOYSA-N 0 0 327.296 2.680 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001635928316 1100687883 /nfs/dbraw/zinc/68/78/83/1100687883.db2.gz UNBPSSFXSGPFHR-SNVBAGLBSA-N 0 0 326.780 2.722 10 5 EFBERN Cc1ccc(CNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001635927173 1100687923 /nfs/dbraw/zinc/68/79/23/1100687923.db2.gz UQOAIEHGWNLZCG-BDJLRTHQSA-N 0 0 328.372 2.609 10 5 EFBERN O=C(N[C@H](CCO)C1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001635950312 1100689474 /nfs/dbraw/zinc/68/94/74/1100689474.db2.gz HSIMQSZSODIVNW-CYBMUJFWSA-N 0 0 331.372 2.747 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](CCO)C1CCCC1 ZINC001635950198 1100689825 /nfs/dbraw/zinc/68/98/25/1100689825.db2.gz DILLBDOJFPPSFF-QGZVFWFLSA-N 0 0 349.431 2.844 10 5 EFBERN CCc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC001636004579 1100692888 /nfs/dbraw/zinc/69/28/88/1100692888.db2.gz HQCHMJUFWSXDNQ-UHFFFAOYSA-N 0 0 346.343 2.698 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCc1ccc(O)cc1 ZINC001636027411 1100694683 /nfs/dbraw/zinc/69/46/83/1100694683.db2.gz YJKIVNAUHLQOPD-UHFFFAOYSA-N 0 0 332.331 2.731 10 5 EFBERN O=C(Nc1cccc2n[nH]nc21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001636022056 1100694894 /nfs/dbraw/zinc/69/48/94/1100694894.db2.gz JGYIXQADSNUWRL-UHFFFAOYSA-N 0 0 349.253 2.720 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2n[nH]nc21 ZINC001636021850 1100694918 /nfs/dbraw/zinc/69/49/18/1100694918.db2.gz JBURLOGJFFOIIC-UHFFFAOYSA-N 0 0 336.311 2.529 10 5 EFBERN CC[C@H](C[C@H](C)O)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001636056848 1100697268 /nfs/dbraw/zinc/69/72/68/1100697268.db2.gz ZEBFXECOENXOLJ-CMPLNLGQSA-N 0 0 344.795 2.683 10 5 EFBERN CC[C@@H](C[C@H](C)O)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001636056672 1100697215 /nfs/dbraw/zinc/69/72/15/1100697215.db2.gz YGHBAXGCXFMEBO-JSGCOSHPSA-N 0 0 343.383 2.936 10 5 EFBERN CC[C@@H](C[C@@H](C)O)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001636056854 1100697238 /nfs/dbraw/zinc/69/72/38/1100697238.db2.gz ZEBFXECOENXOLJ-PWSUYJOCSA-N 0 0 344.795 2.683 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCc1cccc(O)c1 ZINC001636057390 1100697520 /nfs/dbraw/zinc/69/75/20/1100697520.db2.gz BEEGBMWZPOKSKS-UHFFFAOYSA-N 0 0 332.331 2.731 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2C[C@H](CO)c3ccccc32)cc1[N+](=O)[O-] ZINC001636169657 1100703869 /nfs/dbraw/zinc/70/38/69/1100703869.db2.gz DEDRJTISIBEHKY-SNVBAGLBSA-N 0 0 347.758 2.567 10 5 EFBERN C[C@@](O)(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC001636246788 1100708833 /nfs/dbraw/zinc/70/88/33/1100708833.db2.gz LYLOUXKXFQIOEL-INIZCTEOSA-N 0 0 334.759 2.772 10 5 EFBERN CNc1ccc(C(=O)NCc2cnn(CC3CCC3)c2)cc1[N+](=O)[O-] ZINC001636255284 1100709777 /nfs/dbraw/zinc/70/97/77/1100709777.db2.gz KKYJTHGWKVKZIC-UHFFFAOYSA-N 0 0 343.387 2.563 10 5 EFBERN CC(C)(NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](O)C(F)(F)F ZINC001636267856 1100710702 /nfs/dbraw/zinc/71/07/02/1100710702.db2.gz WSEIYWKEEHXWSS-LBPRGKRZSA-N 0 0 345.277 2.508 10 5 EFBERN COc1ccccc1[C@@H](O)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001636289958 1100711403 /nfs/dbraw/zinc/71/14/03/1100711403.db2.gz WRKCAHKXEFUITP-YVEFUNNKSA-N 0 0 344.367 2.557 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CSc2ccccc21 ZINC001636296349 1100711866 /nfs/dbraw/zinc/71/18/66/1100711866.db2.gz UAYZDLXGVIXVFZ-JTQLQIEISA-N 0 0 329.381 2.796 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CSc2ccccc21 ZINC001636295335 1100711959 /nfs/dbraw/zinc/71/19/59/1100711959.db2.gz JSSXGXDIYZCNNS-JTQLQIEISA-N 0 0 329.381 2.796 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCc2c[nH]nc2C1 ZINC001636298569 1100712003 /nfs/dbraw/zinc/71/20/03/1100712003.db2.gz UCVYTFUGYSXAGC-NSHDSACASA-N 0 0 348.790 2.578 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CSc2ccccc21 ZINC001636295336 1100712135 /nfs/dbraw/zinc/71/21/35/1100712135.db2.gz JSSXGXDIYZCNNS-SNVBAGLBSA-N 0 0 329.381 2.796 10 5 EFBERN Cc1csc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)n1 ZINC000050708877 1100718060 /nfs/dbraw/zinc/71/80/60/1100718060.db2.gz NWOKLMNVXMBOBN-UHFFFAOYSA-N 0 0 326.765 2.525 10 5 EFBERN O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC001636436824 1100719246 /nfs/dbraw/zinc/71/92/46/1100719246.db2.gz SIUBETWTXCYDOJ-UHFFFAOYSA-N 0 0 327.300 2.565 10 5 EFBERN C[C@H](Cc1cccc(O)c1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001636517046 1100723465 /nfs/dbraw/zinc/72/34/65/1100723465.db2.gz PVVZCYDVSCXCLL-LLVKDONJSA-N 0 0 332.331 2.729 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccccc2C1 ZINC001636542068 1100724792 /nfs/dbraw/zinc/72/47/92/1100724792.db2.gz GFWRLQLGSJDTJE-AWEZNQCLSA-N 0 0 325.368 2.854 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001636542069 1100724853 /nfs/dbraw/zinc/72/48/53/1100724853.db2.gz GFWRLQLGSJDTJE-CQSZACIVSA-N 0 0 325.368 2.854 10 5 EFBERN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)Cc2cncnc21 ZINC001636526837 1100724906 /nfs/dbraw/zinc/72/49/06/1100724906.db2.gz PGVGQLJOWQBRSV-LYRGGWFBSA-N 0 0 338.367 2.634 10 5 EFBERN CC(=O)CCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001636564556 1100727059 /nfs/dbraw/zinc/72/70/59/1100727059.db2.gz NPJURSNMFYWCTQ-UHFFFAOYSA-N 0 0 337.332 2.691 10 5 EFBERN Nc1c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)cccc1[N+](=O)[O-] ZINC001636614135 1100730402 /nfs/dbraw/zinc/73/04/02/1100730402.db2.gz VFSHOTCQJQLUKN-CZUORRHYSA-N 0 0 329.331 2.932 10 5 EFBERN O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001636659540 1100731896 /nfs/dbraw/zinc/73/18/96/1100731896.db2.gz RECWLFCVZZROLP-AWEZNQCLSA-N 0 0 338.722 2.851 10 5 EFBERN Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001636723784 1100734367 /nfs/dbraw/zinc/73/43/67/1100734367.db2.gz AXKGCZGISGXJSY-SJCJKPOMSA-N 0 0 343.383 2.897 10 5 EFBERN Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cnc1C ZINC001636771982 1100737661 /nfs/dbraw/zinc/73/76/61/1100737661.db2.gz ZKPGVTGHHIETKY-UHFFFAOYSA-N 0 0 329.312 2.630 10 5 EFBERN CCOc1ccc(C(=O)NC/C=C/c2cccnc2)cc1[N+](=O)[O-] ZINC001636798643 1100738801 /nfs/dbraw/zinc/73/88/01/1100738801.db2.gz XRFWFQHOKSZBRF-GQCTYLIASA-N 0 0 327.340 2.832 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)C2 ZINC001636874118 1100743397 /nfs/dbraw/zinc/74/33/97/1100743397.db2.gz YBEQKSVBDGULDB-MGPLVRAMSA-N 0 0 331.397 2.901 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(C(F)(F)F)c1 ZINC001636994681 1100749208 /nfs/dbraw/zinc/74/92/08/1100749208.db2.gz JDKSPYQFNJWQML-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN Cc1cc(OCC(=O)Nc2cccc3[nH]c(=O)[nH]c32)ccc1[N+](=O)[O-] ZINC001636993871 1100749427 /nfs/dbraw/zinc/74/94/27/1100749427.db2.gz MZDWBJKLBYMMHI-UHFFFAOYSA-N 0 0 342.311 2.503 10 5 EFBERN CCc1n[nH]cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001637003790 1100749940 /nfs/dbraw/zinc/74/99/40/1100749940.db2.gz QYLUWSGSULWWDF-UHFFFAOYSA-N 0 0 326.316 2.523 10 5 EFBERN COc1ccc(NC(=O)c2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001637052642 1100754870 /nfs/dbraw/zinc/75/48/70/1100754870.db2.gz WPKJTNFCEWADKI-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(NC(N)=O)cc1 ZINC001637069646 1100755732 /nfs/dbraw/zinc/75/57/32/1100755732.db2.gz ZQHSFODEFWNIMJ-UHFFFAOYSA-N 0 0 328.328 2.955 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OCc1ccncc1 ZINC001637103729 1100757575 /nfs/dbraw/zinc/75/75/75/1100757575.db2.gz QPVWRCDSKCIHHM-LBPRGKRZSA-N 0 0 345.355 2.932 10 5 EFBERN CCCn1ncc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1C1CC1 ZINC001637112192 1100757841 /nfs/dbraw/zinc/75/78/41/1100757841.db2.gz IUMFBJLBVTYACW-UHFFFAOYSA-N 0 0 332.364 2.547 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001637127265 1100758800 /nfs/dbraw/zinc/75/88/00/1100758800.db2.gz UYTJTZKMQVETSE-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN CNc1c(C(=O)N[C@@H](CCOC)c2cccnc2)cccc1[N+](=O)[O-] ZINC001637141849 1100760442 /nfs/dbraw/zinc/76/04/42/1100760442.db2.gz HAOBRULQGFGIBB-AWEZNQCLSA-N 0 0 344.371 2.539 10 5 EFBERN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001637200308 1100763864 /nfs/dbraw/zinc/76/38/64/1100763864.db2.gz KMIVJMTULVJQEO-UONOGXRCSA-N 0 0 327.340 2.928 10 5 EFBERN COCCOCc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001637200567 1100764015 /nfs/dbraw/zinc/76/40/15/1100764015.db2.gz MIZLRZKEFWBBDJ-UHFFFAOYSA-N 0 0 345.355 2.592 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1C[C@H](CO)c2ccccc21 ZINC001637278192 1100769404 /nfs/dbraw/zinc/76/94/04/1100769404.db2.gz IOYNWOSUCWYLMX-SNVBAGLBSA-N 0 0 332.743 2.985 10 5 EFBERN COc1cc(C(=O)Nc2c3n[nH]nc3ccc2C)cc([N+](=O)[O-])c1C ZINC001637390563 1100778447 /nfs/dbraw/zinc/77/84/47/1100778447.db2.gz DADGYASICNHWMZ-UHFFFAOYSA-N 0 0 341.327 2.744 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(C(F)(F)F)nc1 ZINC001637386780 1100779140 /nfs/dbraw/zinc/77/91/40/1100779140.db2.gz JDXJQIHRBOCJMD-SSDOTTSWSA-N 0 0 328.250 2.828 10 5 EFBERN Nc1c(C(=O)NC[C@H]2CSc3ccccc32)cccc1[N+](=O)[O-] ZINC001637415068 1100781039 /nfs/dbraw/zinc/78/10/39/1100781039.db2.gz ZHJPETQBKPFNQF-JTQLQIEISA-N 0 0 329.381 2.796 10 5 EFBERN Cc1cc(C(=O)NCc2ncc(Cl)s2)c(N)c([N+](=O)[O-])c1 ZINC001637416120 1100781273 /nfs/dbraw/zinc/78/12/73/1100781273.db2.gz JSSYUIQQKMORKE-UHFFFAOYSA-N 0 0 326.765 2.525 10 5 EFBERN O=C(NCc1ccc[nH]c1=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001637424585 1100782058 /nfs/dbraw/zinc/78/20/58/1100782058.db2.gz PLNCDJQUKYBXSX-UHFFFAOYSA-N 0 0 342.355 2.570 10 5 EFBERN Cc1csc(NCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC001637540668 1100788636 /nfs/dbraw/zinc/78/86/36/1100788636.db2.gz BKFCIGVXTNOTKD-UHFFFAOYSA-N 0 0 345.384 2.683 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC001637598986 1100793911 /nfs/dbraw/zinc/79/39/11/1100793911.db2.gz COLOACQWWMJAHD-QGZVFWFLSA-N 0 0 339.351 2.723 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCc2ccccc2[C@H]1CO ZINC001637629805 1100795667 /nfs/dbraw/zinc/79/56/67/1100795667.db2.gz KRBYJPZOMAVVHI-OAHLLOKOSA-N 0 0 346.770 2.980 10 5 EFBERN O=C(NC[C@H](c1ccccc1)C1CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001637659240 1100797521 /nfs/dbraw/zinc/79/75/21/1100797521.db2.gz UJAHTPHBCCSCKH-LLVKDONJSA-N 0 0 334.763 2.895 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(=O)[nH]c2c1CCCC2 ZINC001637785971 1100804945 /nfs/dbraw/zinc/80/49/45/1100804945.db2.gz VNTYGGVETXYIJP-UHFFFAOYSA-N 0 0 341.367 2.547 10 5 EFBERN CCc1ccc([C@H]2CCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001637819906 1100808167 /nfs/dbraw/zinc/80/81/67/1100808167.db2.gz DSVNJUZRGJZYOJ-AWEZNQCLSA-N 0 0 340.383 2.764 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cc(F)ccc1N(C)C ZINC001637840742 1100810051 /nfs/dbraw/zinc/81/00/51/1100810051.db2.gz OKZMVVZSQQDMGR-JTQLQIEISA-N 0 0 346.362 2.873 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(CCO)c2)cc1[N+](=O)[O-] ZINC001637879476 1100813552 /nfs/dbraw/zinc/81/35/52/1100813552.db2.gz LZVVSQDUSHQKEM-UHFFFAOYSA-N 0 0 345.311 2.599 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2nsnc21 ZINC001637906697 1100816157 /nfs/dbraw/zinc/81/61/57/1100816157.db2.gz MFBOCMDXWMGAGY-UHFFFAOYSA-N 0 0 340.324 2.728 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cnc1C ZINC001637938342 1100818971 /nfs/dbraw/zinc/81/89/71/1100818971.db2.gz SLIBPGUQCBYUJP-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN CC(=O)c1cccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1O ZINC001638114133 1100833923 /nfs/dbraw/zinc/83/39/23/1100833923.db2.gz XRQSPTNFKLSUOM-UHFFFAOYSA-N 0 0 332.287 2.823 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)NCCNc2ccccn2)cc1Cl ZINC001638108338 1100833957 /nfs/dbraw/zinc/83/39/57/1100833957.db2.gz YVGHGPFEORMHTN-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001638123665 1100835275 /nfs/dbraw/zinc/83/52/75/1100835275.db2.gz YDGCSNKXQPYUJX-UHFFFAOYSA-N 0 0 344.718 2.681 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001638148532 1100836953 /nfs/dbraw/zinc/83/69/53/1100836953.db2.gz FFJQVBQAENSGDT-UPJWGTAASA-N 0 0 349.387 2.687 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC001638143690 1100837036 /nfs/dbraw/zinc/83/70/36/1100837036.db2.gz HDVQBMNUUSGSHU-JQWIXIFHSA-N 0 0 345.359 2.546 10 5 EFBERN Cc1cc(Cl)c(C(=O)Nc2ncc(CCO)s2)cc1[N+](=O)[O-] ZINC001638199843 1100842044 /nfs/dbraw/zinc/84/20/44/1100842044.db2.gz RXKUKPFTBJKEDA-UHFFFAOYSA-N 0 0 341.776 2.800 10 5 EFBERN CNc1ccc(C(=O)Nc2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-] ZINC001638227394 1100842922 /nfs/dbraw/zinc/84/29/22/1100842922.db2.gz RETHHGOSLIMPSW-XMMPIXPASA-N 0 0 347.396 2.767 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)C1(O)CCCC1 ZINC001638269056 1100845549 /nfs/dbraw/zinc/84/55/49/1100845549.db2.gz KZCYAMBFROATMW-UHFFFAOYSA-N 0 0 344.314 2.872 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC001638360830 1100851615 /nfs/dbraw/zinc/85/16/15/1100851615.db2.gz ZKWHTRRRDASBIO-SSKCKEOISA-N 0 0 341.367 2.613 10 5 EFBERN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001638375202 1100853306 /nfs/dbraw/zinc/85/33/06/1100853306.db2.gz ZSIOZGZIKVDXAP-ZJUUUORDSA-N 0 0 328.390 2.754 10 5 EFBERN CN(C)c1nc(Cl)c(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)s1 ZINC001638381320 1100853838 /nfs/dbraw/zinc/85/38/38/1100853838.db2.gz ITUOFACXENWBNU-UHFFFAOYSA-N 0 0 341.780 2.605 10 5 EFBERN Nc1ccc(NC(=O)C[C@H]2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC001638385540 1100854282 /nfs/dbraw/zinc/85/42/82/1100854282.db2.gz DNHZKWQXZMAWLS-JTQLQIEISA-N 0 0 340.339 2.632 10 5 EFBERN CC[S@](=O)c1ccccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001638381716 1100854579 /nfs/dbraw/zinc/85/45/79/1100854579.db2.gz QUKDTFWWJUFZMI-QHCPKHFHSA-N 0 0 333.369 2.557 10 5 EFBERN C[C@@]1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCOc2ccccc21 ZINC001638385883 1100854601 /nfs/dbraw/zinc/85/46/01/1100854601.db2.gz NJKWXWKYGQPEKO-QGZVFWFLSA-N 0 0 327.340 2.856 10 5 EFBERN CCN(C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001638390623 1100855000 /nfs/dbraw/zinc/85/50/00/1100855000.db2.gz WZUSOLBYQCCMJY-UHFFFAOYSA-N 0 0 345.330 2.517 10 5 EFBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001638473532 1100862272 /nfs/dbraw/zinc/86/22/72/1100862272.db2.gz RYNPVJIKENZYMH-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN O=C(NC1CCC=CCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001638504695 1100864326 /nfs/dbraw/zinc/86/43/26/1100864326.db2.gz OTEAXJZLCIGSRU-UHFFFAOYSA-N 0 0 331.372 2.866 10 5 EFBERN Nc1ncc(C(=O)Nc2cnccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001638519437 1100865188 /nfs/dbraw/zinc/86/51/88/1100865188.db2.gz KOKXYSBFIBVIEO-UHFFFAOYSA-N 0 0 335.323 2.886 10 5 EFBERN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1cc([N+](=O)[O-])c[nH]1 ZINC001638520915 1100865439 /nfs/dbraw/zinc/86/54/39/1100865439.db2.gz MVKOXSNCJHBADJ-UHFFFAOYSA-N 0 0 333.254 2.844 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)n1 ZINC001638536493 1100865998 /nfs/dbraw/zinc/86/59/98/1100865998.db2.gz LHNJPVWYEDHQMD-UHFFFAOYSA-N 0 0 345.746 2.758 10 5 EFBERN CO[C@@H]1CCCN(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001638692173 1100878980 /nfs/dbraw/zinc/87/89/80/1100878980.db2.gz ZBRDJHMQGHARJU-CYBMUJFWSA-N 0 0 335.404 2.648 10 5 EFBERN O=C(N[C@H]1CCc2ncsc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001638700310 1100879862 /nfs/dbraw/zinc/87/98/62/1100879862.db2.gz LBPRRPOWSQWEPX-VIFPVBQESA-N 0 0 342.380 2.820 10 5 EFBERN COc1nccc2c(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)cccc21 ZINC001638705996 1100880283 /nfs/dbraw/zinc/88/02/83/1100880283.db2.gz DXSPDPLWOJYQHJ-UHFFFAOYSA-N 0 0 347.718 2.780 10 5 EFBERN C[C@H](CNC(=O)N[C@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001638707184 1100880358 /nfs/dbraw/zinc/88/03/58/1100880358.db2.gz FDEGTQSUKDSIMM-CZUORRHYSA-N 0 0 349.431 2.939 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(C)cc(CO)cc1C ZINC001638720887 1100881095 /nfs/dbraw/zinc/88/10/95/1100881095.db2.gz FEOXBJNTJRYLNM-UHFFFAOYSA-N 0 0 344.367 2.643 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001638785779 1100886439 /nfs/dbraw/zinc/88/64/39/1100886439.db2.gz NERRSRLSTQCPHM-UHFFFAOYSA-N 0 0 347.758 2.884 10 5 EFBERN C[C@@H](C(=O)N1CCC[C@@H](c2ncon2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001638827000 1100888448 /nfs/dbraw/zinc/88/84/48/1100888448.db2.gz REBMONVIMNXASQ-GHMZBOCLSA-N 0 0 348.334 2.627 10 5 EFBERN Cc1ncoc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001638868664 1100894051 /nfs/dbraw/zinc/89/40/51/1100894051.db2.gz LNLQNLLCMJQJOY-UHFFFAOYSA-N 0 0 330.344 2.765 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@H](c2ncon2)C2CC2)cc1[N+](=O)[O-] ZINC001638892872 1100895667 /nfs/dbraw/zinc/89/56/67/1100895667.db2.gz KIKBHWFPGPUAJV-CQSZACIVSA-N 0 0 330.344 2.982 10 5 EFBERN CC1(C)CCC[C@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000840207283 1100898369 /nfs/dbraw/zinc/89/83/69/1100898369.db2.gz URMJMMIBBBHDJV-AWEZNQCLSA-N 0 0 345.355 2.636 10 5 EFBERN Cc1ccc(NCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1 ZINC001639039183 1100907860 /nfs/dbraw/zinc/90/78/60/1100907860.db2.gz HMVTWRVSKCIDLY-WEVVVXLNSA-N 0 0 326.356 2.540 10 5 EFBERN O=C(Nc1ccc(-c2ccon2)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001639070007 1100909618 /nfs/dbraw/zinc/90/96/18/1100909618.db2.gz UTXFONYBOMMPIV-MRXNPFEDSA-N 0 0 339.307 2.922 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccnc(Cl)c1 ZINC001639124587 1100916222 /nfs/dbraw/zinc/91/62/22/1100916222.db2.gz WXKHALYDVGZKDP-UHFFFAOYSA-N 0 0 347.758 2.923 10 5 EFBERN COC(=O)Cc1ccc(Sc2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001639153873 1100919532 /nfs/dbraw/zinc/91/95/32/1100919532.db2.gz BVMJGILAKLGOFN-UHFFFAOYSA-N 0 0 344.352 2.504 10 5 EFBERN CNc1nccc(C(=O)NCc2c(F)cc(C)cc2F)c1[N+](=O)[O-] ZINC001639175680 1100921096 /nfs/dbraw/zinc/92/10/96/1100921096.db2.gz XHTVBQDJZPYXDC-UHFFFAOYSA-N 0 0 336.298 2.548 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCOCC3)[C@H]2C(C)C)n1 ZINC001639231741 1100926826 /nfs/dbraw/zinc/92/68/26/1100926826.db2.gz YFEDEQGLPQQVBI-OAHLLOKOSA-N 0 0 333.388 2.575 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001639252051 1100929433 /nfs/dbraw/zinc/92/94/33/1100929433.db2.gz XSXBQEAZSIUGII-UHFFFAOYSA-N 0 0 348.742 2.965 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001639250233 1100929719 /nfs/dbraw/zinc/92/97/19/1100929719.db2.gz AJRPCHWWKOWQQO-UHFFFAOYSA-N 0 0 346.314 2.759 10 5 EFBERN CO[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001639316104 1100937469 /nfs/dbraw/zinc/93/74/69/1100937469.db2.gz DWYDMRPSNJQUGZ-ZYHUDNBSSA-N 0 0 326.780 2.817 10 5 EFBERN CC(=O)N(C)c1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001639382491 1100943118 /nfs/dbraw/zinc/94/31/18/1100943118.db2.gz MQFMONZLHYGRNN-UHFFFAOYSA-N 0 0 333.319 2.953 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)n(C)n1 ZINC001639394408 1100944226 /nfs/dbraw/zinc/94/42/26/1100944226.db2.gz JZLCUCKBEQHRIP-UHFFFAOYSA-N 0 0 343.265 2.641 10 5 EFBERN COC(OC)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC001639421803 1100946329 /nfs/dbraw/zinc/94/63/29/1100946329.db2.gz ZZZADPSCVPNPLR-OAHLLOKOSA-N 0 0 348.330 2.824 10 5 EFBERN C[S@@](=O)Cc1cccc(Nc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001639477485 1100953749 /nfs/dbraw/zinc/95/37/49/1100953749.db2.gz BSKZZSUJLYQWPC-OAQYLSRUSA-N 0 0 325.777 2.687 10 5 EFBERN COCCCn1ccc(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC001639512966 1100956983 /nfs/dbraw/zinc/95/69/83/1100956983.db2.gz KYQFEKRSRNZDLQ-UHFFFAOYSA-N 0 0 336.348 2.589 10 5 EFBERN CCc1cc(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])on1 ZINC001639520193 1100957123 /nfs/dbraw/zinc/95/71/23/1100957123.db2.gz VBOMQHTWCGMSFH-UHFFFAOYSA-N 0 0 328.328 2.609 10 5 EFBERN COCc1nccc(NCCCNc2ccc(C)cc2[N+](=O)[O-])n1 ZINC001639509137 1100957197 /nfs/dbraw/zinc/95/71/97/1100957197.db2.gz SVZLZBXEVVTGGG-UHFFFAOYSA-N 0 0 331.376 2.754 10 5 EFBERN COc1cccc(O[C@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001639530738 1100958794 /nfs/dbraw/zinc/95/87/94/1100958794.db2.gz MDVRXZFRLKHXIG-LLVKDONJSA-N 0 0 345.355 2.582 10 5 EFBERN COc1ccc2c(c1)OCC[C@H]2Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001639536879 1100959866 /nfs/dbraw/zinc/95/98/66/1100959866.db2.gz NEIGSUXICPBFNF-CQSZACIVSA-N 0 0 343.339 2.638 10 5 EFBERN C[C@H]1CN=C(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)S1 ZINC001639571481 1100962343 /nfs/dbraw/zinc/96/23/43/1100962343.db2.gz KHYNHOMHEMGOMG-QMMMGPOBSA-N 0 0 348.409 2.939 10 5 EFBERN CN(Cc1nccs1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001639586392 1100964290 /nfs/dbraw/zinc/96/42/90/1100964290.db2.gz INKRSLJCESSOEZ-UHFFFAOYSA-N 0 0 330.369 2.540 10 5 EFBERN CCn1c(Sc2cnc(F)cn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001639606827 1100966492 /nfs/dbraw/zinc/96/64/92/1100966492.db2.gz FILWVFSZOGKEBV-UHFFFAOYSA-N 0 0 346.347 2.954 10 5 EFBERN Cc1ccc([S@](C)(=O)=NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001639628469 1100968538 /nfs/dbraw/zinc/96/85/38/1100968538.db2.gz FISOCWUZLQKACJ-QHCPKHFHSA-N 0 0 333.369 2.783 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c[nH]cc1C1CC1 ZINC001639663115 1100971657 /nfs/dbraw/zinc/97/16/57/1100971657.db2.gz JYXKCONCJUIIKV-UHFFFAOYSA-N 0 0 325.328 2.607 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCCC[C@@H]1O ZINC001639665994 1100972895 /nfs/dbraw/zinc/97/28/95/1100972895.db2.gz JJVDIXBPWAAWHF-YOEHRIQHSA-N 0 0 349.431 2.844 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC001639732591 1100978901 /nfs/dbraw/zinc/97/89/01/1100978901.db2.gz JPJBTYDJVZWLPS-QWRGUYRKSA-N 0 0 331.372 2.941 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC001639732590 1100978959 /nfs/dbraw/zinc/97/89/59/1100978959.db2.gz JPJBTYDJVZWLPS-GHMZBOCLSA-N 0 0 331.372 2.941 10 5 EFBERN Nc1ncc(C(=O)Nc2ccccc2NC2CCC2)cc1[N+](=O)[O-] ZINC001639779568 1100983793 /nfs/dbraw/zinc/98/37/93/1100983793.db2.gz QVKHUJJJECAVSK-UHFFFAOYSA-N 0 0 327.344 2.789 10 5 EFBERN COc1ccccc1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001639834590 1100988232 /nfs/dbraw/zinc/98/82/32/1100988232.db2.gz IOZJODCDHUYMHM-NSHDSACASA-N 0 0 329.356 2.547 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CNc3ncnc(-c4ccccc4)n3)nc2c1 ZINC001639848387 1100988357 /nfs/dbraw/zinc/98/83/57/1100988357.db2.gz DNIDBVPCJBFHCK-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC[C@H](O)C(F)(F)F ZINC001639848763 1100988365 /nfs/dbraw/zinc/98/83/65/1100988365.db2.gz PHTPCZUIZCQILB-JTQLQIEISA-N 0 0 349.696 2.944 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC001639848616 1100988596 /nfs/dbraw/zinc/98/85/96/1100988596.db2.gz AGBKKEBGCDVMJB-DJIMGWMZSA-N 0 0 347.415 2.723 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC001639883331 1100992380 /nfs/dbraw/zinc/99/23/80/1100992380.db2.gz HRQSAVXBUPLSJN-UHFFFAOYSA-N 0 0 345.355 2.835 10 5 EFBERN CCCCn1ncc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])c1C(C)C ZINC001639976694 1100999098 /nfs/dbraw/zinc/99/90/98/1100999098.db2.gz CNRPYIPBDGTGFP-UHFFFAOYSA-N 0 0 348.407 2.858 10 5 EFBERN Cc1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)c(N)c1[N+](=O)[O-] ZINC001639997539 1101001495 /nfs/dbraw/zinc/00/14/95/1101001495.db2.gz SEIOVKJMLHFPMY-AWEZNQCLSA-N 0 0 340.339 2.942 10 5 EFBERN Cc1ccc(NC(=O)COc2ccc(F)c(F)c2)c(N)c1[N+](=O)[O-] ZINC001640000999 1101001676 /nfs/dbraw/zinc/00/16/76/1101001676.db2.gz QBWUQTSLZFADRV-UHFFFAOYSA-N 0 0 337.282 2.781 10 5 EFBERN Cc1ccc(NC(=O)COCCOc2ccccc2)c(N)c1[N+](=O)[O-] ZINC001639997425 1101001731 /nfs/dbraw/zinc/00/17/31/1101001731.db2.gz NFPTXIYFTASMCL-UHFFFAOYSA-N 0 0 345.355 2.520 10 5 EFBERN CSCCONC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001640006197 1101003245 /nfs/dbraw/zinc/00/32/45/1101003245.db2.gz WZPPIJGDJFNRMR-UHFFFAOYSA-N 0 0 333.369 2.681 10 5 EFBERN CNc1c(C(=O)N[C@@H]2CO[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001640026211 1101006809 /nfs/dbraw/zinc/00/68/09/1101006809.db2.gz POVYCJWWTPPUKT-CJNGLKHVSA-N 0 0 327.340 2.506 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCC[C@H]1COc2ccccc2O1 ZINC001640043240 1101008374 /nfs/dbraw/zinc/00/83/74/1101008374.db2.gz LCLPLOUDVAJIMR-JTQLQIEISA-N 0 0 335.747 2.707 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc([N+](=O)[O-])s1 ZINC001640046407 1101008586 /nfs/dbraw/zinc/00/85/86/1101008586.db2.gz KBGWXWYRQACJDD-UHFFFAOYSA-N 0 0 343.267 2.773 10 5 EFBERN O=[N+]([O-])c1c(NCc2nccc(C(F)(F)F)n2)nc2sccn21 ZINC001640033373 1101008823 /nfs/dbraw/zinc/00/88/23/1101008823.db2.gz WDIDCFUEVLIRDC-UHFFFAOYSA-N 0 0 344.278 2.725 10 5 EFBERN O=C(Cc1cnccc1Cl)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001640049117 1101009344 /nfs/dbraw/zinc/00/93/44/1101009344.db2.gz KIDFAUZEYOTQQG-UHFFFAOYSA-N 0 0 341.701 2.780 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@@H](c3cccnc3)C2)c(N)c([N+](=O)[O-])c1 ZINC001640048973 1101009848 /nfs/dbraw/zinc/00/98/48/1101009848.db2.gz IYEHVEIGGQQUSA-CQSZACIVSA-N 0 0 340.383 2.900 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](Nc3ncccn3)C2)c2ncccc12 ZINC001640079530 1101011540 /nfs/dbraw/zinc/01/15/40/1101011540.db2.gz NPIAXBCWDIXBOW-LBPRGKRZSA-N 0 0 336.355 2.624 10 5 EFBERN O=c1cc([C@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)[nH][nH]1 ZINC001640108827 1101014419 /nfs/dbraw/zinc/01/44/19/1101014419.db2.gz BKIYSBBKSZNFGF-NSHDSACASA-N 0 0 325.328 2.566 10 5 EFBERN CNC(=O)c1ccc(N[C@H](c2ccccc2F)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001640116115 1101015524 /nfs/dbraw/zinc/01/55/24/1101015524.db2.gz GERAFEKVRLZNQI-HWPZZCPQSA-N 0 0 347.346 2.628 10 5 EFBERN Cc1ncoc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001640120763 1101015703 /nfs/dbraw/zinc/01/57/03/1101015703.db2.gz UNNRAWLJUCEJRM-UHFFFAOYSA-N 0 0 333.347 2.908 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C2 ZINC001640125193 1101015871 /nfs/dbraw/zinc/01/58/71/1101015871.db2.gz XVOMDFXSCSCDJO-LKFCYVNXSA-N 0 0 341.820 2.656 10 5 EFBERN COc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)nc1 ZINC001640145572 1101017763 /nfs/dbraw/zinc/01/77/63/1101017763.db2.gz HPFHJDJSFIKIJA-UHFFFAOYSA-N 0 0 329.312 2.600 10 5 EFBERN C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1cnccn1 ZINC001640158190 1101019045 /nfs/dbraw/zinc/01/90/45/1101019045.db2.gz DNYSGZPDZYGDRU-JTQLQIEISA-N 0 0 337.339 2.611 10 5 EFBERN O=C(NCc1ccncn1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001640191625 1101020893 /nfs/dbraw/zinc/02/08/93/1101020893.db2.gz HSQQIIQQJSJCAB-UHFFFAOYSA-N 0 0 327.127 2.622 10 5 EFBERN Cc1cc(SCCOc2ccc([N+](=O)[O-])cc2)n2ncnc2n1 ZINC001640209455 1101023179 /nfs/dbraw/zinc/02/31/79/1101023179.db2.gz UEYCLBPCUBBPKS-UHFFFAOYSA-N 0 0 331.357 2.512 10 5 EFBERN CC1(C)CCC[C@@](O)(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001640268494 1101030310 /nfs/dbraw/zinc/03/03/10/1101030310.db2.gz LLCNKMOUEZHCFV-KRWDZBQOSA-N 0 0 335.404 2.827 10 5 EFBERN CC1(C)CCC[C@](O)(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001640268495 1101030520 /nfs/dbraw/zinc/03/05/20/1101030520.db2.gz LLCNKMOUEZHCFV-QGZVFWFLSA-N 0 0 335.404 2.827 10 5 EFBERN CC(C)c1nc([C@@H](CO)NC(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC001640344813 1101037145 /nfs/dbraw/zinc/03/71/45/1101037145.db2.gz RZLLELFKNUAXMV-LLVKDONJSA-N 0 0 335.385 2.638 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NC[C@H](CO)c1ccc(Cl)cc1 ZINC001640358811 1101039431 /nfs/dbraw/zinc/03/94/31/1101039431.db2.gz HGVGJQGSNCPSQP-SNVBAGLBSA-N 0 0 342.182 2.907 10 5 EFBERN Nc1nc(NCCc2ccc(Cl)c(Cl)c2)ncc1[N+](=O)[O-] ZINC001640389433 1101041719 /nfs/dbraw/zinc/04/17/19/1101041719.db2.gz SWWXNPPOCYPYHG-UHFFFAOYSA-N 0 0 328.159 2.928 10 5 EFBERN COC(=O)c1cnc(N[C@H]2c3ccccc3OC[C@H]2F)c([N+](=O)[O-])c1 ZINC001640393053 1101042359 /nfs/dbraw/zinc/04/23/59/1101042359.db2.gz PFPGNLHKHYAQPV-RISCZKNCSA-N 0 0 347.302 2.660 10 5 EFBERN CNC(=O)N[C@H]1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001640407040 1101043720 /nfs/dbraw/zinc/04/37/20/1101043720.db2.gz AOSKVBGIELALJV-QMMMGPOBSA-N 0 0 347.202 2.799 10 5 EFBERN CNC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001640412121 1101044838 /nfs/dbraw/zinc/04/48/38/1101044838.db2.gz RUNQCHKEYJYCDR-VIFPVBQESA-N 0 0 346.309 2.511 10 5 EFBERN C[S@@](=O)(=NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001640466999 1101050064 /nfs/dbraw/zinc/05/00/64/1101050064.db2.gz MLXYDCPXSOIFAF-QHCPKHFHSA-N 0 0 337.332 2.613 10 5 EFBERN C[C@@]1(Cc2cccs2)CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001640481144 1101051491 /nfs/dbraw/zinc/05/14/91/1101051491.db2.gz AMUJMQILQKUXMQ-INIZCTEOSA-N 0 0 346.412 2.752 10 5 EFBERN CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC001640506135 1101053553 /nfs/dbraw/zinc/05/35/53/1101053553.db2.gz JGHVIJMGZJXXPY-MGCOHNPYSA-N 0 0 340.355 2.844 10 5 EFBERN COC(=O)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])CC1CCCC1 ZINC001640510839 1101054851 /nfs/dbraw/zinc/05/48/51/1101054851.db2.gz SXRIHMQAYCEFTO-NSHDSACASA-N 0 0 341.795 2.847 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC001640647286 1101068095 /nfs/dbraw/zinc/06/80/95/1101068095.db2.gz XFPIXMYSZRCSIV-OLZOCXBDSA-N 0 0 343.358 2.925 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@](C)(O)c1ccccc1 ZINC001640672161 1101070539 /nfs/dbraw/zinc/07/05/39/1101070539.db2.gz SGXCHLSTMMMOHW-PIGZYNQJSA-N 0 0 332.331 2.760 10 5 EFBERN O=C(CSc1nnc2ccccn21)c1ccc([N+](=O)[O-])cc1F ZINC001640696946 1101072551 /nfs/dbraw/zinc/07/25/51/1101072551.db2.gz YGBRVQYYYNYANW-UHFFFAOYSA-N 0 0 332.316 2.752 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1F ZINC001640725763 1101074056 /nfs/dbraw/zinc/07/40/56/1101074056.db2.gz QIWCNINMNLVEBA-RFAUZJTJSA-N 0 0 336.294 2.725 10 5 EFBERN Cc1cc2nccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2n1 ZINC001168038479 1101078324 /nfs/dbraw/zinc/07/83/24/1101078324.db2.gz VODXUKLXODSQKS-UHFFFAOYSA-N 0 0 348.322 2.746 10 5 EFBERN CNc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC001640772455 1101078570 /nfs/dbraw/zinc/07/85/70/1101078570.db2.gz WQUGLCYBVUWVDU-UHFFFAOYSA-N 0 0 328.350 2.602 10 5 EFBERN CCc1ccncc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001640794182 1101079773 /nfs/dbraw/zinc/07/97/73/1101079773.db2.gz KWLAGTHXHXALSM-UHFFFAOYSA-N 0 0 329.341 2.809 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2Cc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC001640835707 1101082426 /nfs/dbraw/zinc/08/24/26/1101082426.db2.gz VTHZFORJNDMHSW-UHFFFAOYSA-N 0 0 333.731 2.692 10 5 EFBERN Nc1c(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001640858178 1101084657 /nfs/dbraw/zinc/08/46/57/1101084657.db2.gz XTMVXGOOARSGGQ-OAHLLOKOSA-N 0 0 345.330 2.530 10 5 EFBERN COc1ccc(OC)c(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001640890464 1101085808 /nfs/dbraw/zinc/08/58/08/1101085808.db2.gz JYFXQWUWYDZXRJ-UHFFFAOYSA-N 0 0 340.339 2.919 10 5 EFBERN C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001640889509 1101085938 /nfs/dbraw/zinc/08/59/38/1101085938.db2.gz ONFLCRLECOCWPD-SNVBAGLBSA-N 0 0 346.362 2.873 10 5 EFBERN COC(=O)/C=C(\C)COc1cc([N+](=O)[O-])ccc1Br ZINC001641065762 1101100154 /nfs/dbraw/zinc/10/01/54/1101100154.db2.gz DLBIAKJIPBRFKR-VMPITWQZSA-N 0 0 330.134 2.855 10 5 EFBERN Cc1nn(CCC(=O)Nc2ccccc2C)c2ncc([N+](=O)[O-])cc12 ZINC001640950052 1101090272 /nfs/dbraw/zinc/09/02/72/1101090272.db2.gz PCWXRRMGOTZMNW-UHFFFAOYSA-N 0 0 339.355 2.985 10 5 EFBERN Cc1ccnc(-c2noc(COc3ncc(C)cc3[N+](=O)[O-])n2)c1 ZINC001640955077 1101091598 /nfs/dbraw/zinc/09/15/98/1101091598.db2.gz IFJGSXAHYWNPRJ-UHFFFAOYSA-N 0 0 327.300 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NN2CCc3ccccc3C2)c1F ZINC001640966135 1101092041 /nfs/dbraw/zinc/09/20/41/1101092041.db2.gz GEJOLXHBVCDMIG-UHFFFAOYSA-N 0 0 347.321 2.885 10 5 EFBERN CCO[C@H](C)c1nccn1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001641012715 1101096318 /nfs/dbraw/zinc/09/63/18/1101096318.db2.gz QWXJCRGTADFUTR-LLVKDONJSA-N 0 0 343.343 2.987 10 5 EFBERN Cn1ncnc1SCc1cc([N+](=O)[O-])ccc1Br ZINC001641051870 1101099218 /nfs/dbraw/zinc/09/92/18/1101099218.db2.gz ILOBIFHGDFCYSR-UHFFFAOYSA-N 0 0 329.179 2.778 10 5 EFBERN O=c1sc2ccccc2c(=O)n1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001641054865 1101099556 /nfs/dbraw/zinc/09/95/56/1101099556.db2.gz MFSRCHBAAMDPRH-UHFFFAOYSA-N 0 0 332.312 2.519 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2ccc3c(ccnc3OC)c2)c1[N+](=O)[O-] ZINC001641068621 1101100355 /nfs/dbraw/zinc/10/03/55/1101100355.db2.gz CMDNOJGQYOMHNJ-UHFFFAOYSA-N 0 0 341.327 2.689 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc2[nH]cnc21 ZINC001641089660 1101101415 /nfs/dbraw/zinc/10/14/15/1101101415.db2.gz UVKGBBSCHMKLOO-UHFFFAOYSA-N 0 0 340.343 2.939 10 5 EFBERN Nc1c(C(=O)Nc2ccc3nccn3c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001641104546 1101102127 /nfs/dbraw/zinc/10/21/27/1101102127.db2.gz UWFRUOOZFNCUAV-UHFFFAOYSA-N 0 0 349.709 2.870 10 5 EFBERN Cc1c(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)cccc1[N+](=O)[O-] ZINC001641118729 1101104116 /nfs/dbraw/zinc/10/41/16/1101104116.db2.gz YGTMOQYBJWXDAN-UHFFFAOYSA-N 0 0 346.324 2.631 10 5 EFBERN CC[C@@]1(Cc2ccccc2)CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001641119859 1101104654 /nfs/dbraw/zinc/10/46/54/1101104654.db2.gz GLPOANDIKKNINL-KRWDZBQOSA-N 0 0 328.372 2.945 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc2oc(=O)[nH]c2cc1F ZINC001641162318 1101109732 /nfs/dbraw/zinc/10/97/32/1101109732.db2.gz OEJICTXGGRGWOT-UHFFFAOYSA-N 0 0 347.258 2.598 10 5 EFBERN Cc1cccnc1CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641169873 1101110054 /nfs/dbraw/zinc/11/00/54/1101110054.db2.gz CJMGGRCRVPLSCZ-UHFFFAOYSA-N 0 0 333.775 2.853 10 5 EFBERN C[C@H](CCCCO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001641173992 1101111097 /nfs/dbraw/zinc/11/10/97/1101111097.db2.gz NRJFCLUZXLLTCT-LLVKDONJSA-N 0 0 331.372 2.611 10 5 EFBERN O=C(Nc1ccc(F)c(Br)c1F)c1cc([N+](=O)[O-])n[nH]1 ZINC001641201074 1101113539 /nfs/dbraw/zinc/11/35/39/1101113539.db2.gz PMNMUWTZDLJWAH-UHFFFAOYSA-N 0 0 347.075 2.611 10 5 EFBERN Cc1cn2ccc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])cc2n1 ZINC001641206950 1101113573 /nfs/dbraw/zinc/11/35/73/1101113573.db2.gz HORPNUNXEPFGCD-UHFFFAOYSA-N 0 0 328.303 2.871 10 5 EFBERN O=C(N[C@H](c1ccccc1)C(F)F)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641225724 1101116195 /nfs/dbraw/zinc/11/61/95/1101116195.db2.gz WNSWAAQNFAXRIC-KGLIPLIRSA-N 0 0 336.294 2.751 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@H]1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001641233218 1101116900 /nfs/dbraw/zinc/11/69/00/1101116900.db2.gz MSBXSXHWEILWDC-UONOGXRCSA-N 0 0 348.399 2.615 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC001641288793 1101121960 /nfs/dbraw/zinc/12/19/60/1101121960.db2.gz GCGSJBXFTNDQQZ-UHFFFAOYSA-N 0 0 346.318 2.754 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2ccc(Cl)nc2Cl)c1=O ZINC001641325278 1101126386 /nfs/dbraw/zinc/12/63/86/1101126386.db2.gz FBWQRCLDGMOYJI-UHFFFAOYSA-N 0 0 330.127 2.515 10 5 EFBERN C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC001641393221 1101131950 /nfs/dbraw/zinc/13/19/50/1101131950.db2.gz AAJAZSXHOKISKU-ZDUSSCGKSA-N 0 0 330.388 2.885 10 5 EFBERN COc1cccc(C(=O)Nc2cnn([C@H]3CCCCO3)c2)c1[N+](=O)[O-] ZINC001641423020 1101134283 /nfs/dbraw/zinc/13/42/83/1101134283.db2.gz VOBJKJIKHBQLBX-CQSZACIVSA-N 0 0 346.343 2.751 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC001641478563 1101139759 /nfs/dbraw/zinc/13/97/59/1101139759.db2.gz MGYJWQDYBBONAL-UHFFFAOYSA-N 0 0 346.274 2.631 10 5 EFBERN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1)NC(C1CC1)C1CC1 ZINC001641481705 1101140760 /nfs/dbraw/zinc/14/07/60/1101140760.db2.gz ZJBARGQEOCKBKN-UHFFFAOYSA-N 0 0 340.383 2.763 10 5 EFBERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001641541599 1101144921 /nfs/dbraw/zinc/14/49/21/1101144921.db2.gz QMFLKRXEOLONBE-WCQYABFASA-N 0 0 345.330 2.611 10 5 EFBERN O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001641546031 1101145196 /nfs/dbraw/zinc/14/51/96/1101145196.db2.gz WWQMTIWEUILRHM-CYBMUJFWSA-N 0 0 338.722 2.851 10 5 EFBERN Cc1nc(-c2cccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)cs1 ZINC001641553899 1101145229 /nfs/dbraw/zinc/14/52/29/1101145229.db2.gz BVHIHENCBBTKPZ-UHFFFAOYSA-N 0 0 343.368 2.680 10 5 EFBERN CC[C@H](O)CC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840580014 1101147101 /nfs/dbraw/zinc/14/71/01/1101147101.db2.gz REKOMXDHUPYDHQ-VIFPVBQESA-N 0 0 332.150 2.562 10 5 EFBERN CC(C)N(CCO)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001641568742 1101147657 /nfs/dbraw/zinc/14/76/57/1101147657.db2.gz DNEKXDJTXTYEKO-UHFFFAOYSA-N 0 0 340.767 2.501 10 5 EFBERN CCc1nn(C)cc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001641690428 1101156841 /nfs/dbraw/zinc/15/68/41/1101156841.db2.gz RMKLACGWAWPUCT-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN CN(OCC(F)(F)F)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001641700820 1101157912 /nfs/dbraw/zinc/15/79/12/1101157912.db2.gz YRSQVVQYKOYLLV-UHFFFAOYSA-N 0 0 344.249 2.551 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)c1 ZINC001641748135 1101161177 /nfs/dbraw/zinc/16/11/77/1101161177.db2.gz PAUYWIIYDNRUKI-UHFFFAOYSA-N 0 0 342.355 2.596 10 5 EFBERN CC(C)n1cnnc1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001641742054 1101161507 /nfs/dbraw/zinc/16/15/07/1101161507.db2.gz RQXHFAWAEBVZME-LSDHHAIUSA-N 0 0 343.387 2.529 10 5 EFBERN CC[C@@H]1COCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001641794912 1101166264 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CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccnc1Cl ZINC001642251668 1101201391 /nfs/dbraw/zinc/20/13/91/1101201391.db2.gz XRCXCVPLIVMVPE-UHFFFAOYSA-N 0 0 328.733 2.839 10 5 EFBERN Cc1ccnc(N2CCC[C@H](NC(=O)c3ccccc3)C2)c1[N+](=O)[O-] ZINC001642312746 1101204693 /nfs/dbraw/zinc/20/46/93/1101204693.db2.gz CGHZXMBZJCFMLL-HNNXBMFYSA-N 0 0 340.383 2.697 10 5 EFBERN NC(=O)N1CCC[C@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001642348553 1101208235 /nfs/dbraw/zinc/20/82/35/1101208235.db2.gz XFWXRMPNZHHAFB-ZETCQYMHSA-N 0 0 333.175 2.857 10 5 EFBERN O=C(CCNc1cc(F)c([N+](=O)[O-])cc1CO)OCc1ccccc1 ZINC001642400811 1101210814 /nfs/dbraw/zinc/21/08/14/1101210814.db2.gz LVICTKUWBZLDAV-UHFFFAOYSA-N 0 0 348.330 2.772 10 5 EFBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1Cc2ccc(Cl)cc2C1 ZINC001642404714 1101210950 /nfs/dbraw/zinc/21/09/50/1101210950.db2.gz YHBPYZXUCLIFMK-OAHLLOKOSA-N 0 0 332.743 2.824 10 5 EFBERN O=[N+]([O-])c1cnn(CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])c1 ZINC001642417553 1101212069 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344.371 2.948 10 5 EFBERN CC1(CNc2nc3ccccn3c2[N+](=O)[O-])CCC2(CC1)OCCO2 ZINC001643265502 1101286379 /nfs/dbraw/zinc/28/63/79/1101286379.db2.gz DFPHLZIJTJXUFS-UHFFFAOYSA-N 0 0 346.387 2.978 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2c(C)nc3ccccn32)c1 ZINC001643291177 1101288509 /nfs/dbraw/zinc/28/85/09/1101288509.db2.gz DNJQLBQBQWCJAL-UHFFFAOYSA-N 0 0 340.339 2.950 10 5 EFBERN C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1c1cnccn1 ZINC001643319765 1101290995 /nfs/dbraw/zinc/29/09/95/1101290995.db2.gz LDBNFZWRIUBFTO-NSHDSACASA-N 0 0 333.779 2.753 10 5 EFBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)c1ccccc1 ZINC001643378931 1101293909 /nfs/dbraw/zinc/29/39/09/1101293909.db2.gz GQIZROXAXKLJEW-AWEZNQCLSA-N 0 0 342.351 2.995 10 5 EFBERN CCc1csc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC001643382406 1101295347 /nfs/dbraw/zinc/29/53/47/1101295347.db2.gz QBMJEXXTHWZINH-QMMMGPOBSA-N 0 0 349.368 2.833 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC001643406902 1101296900 /nfs/dbraw/zinc/29/69/00/1101296900.db2.gz SFOFBDNUMMFJDU-INIZCTEOSA-N 0 0 338.323 2.699 10 5 EFBERN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001643440910 1101299495 /nfs/dbraw/zinc/29/94/95/1101299495.db2.gz DVTIRZGNBUHFHL-VIFPVBQESA-N 0 0 347.749 2.565 10 5 EFBERN O=C(NC[C@H]1CCN(CC(F)F)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001643440909 1101299568 /nfs/dbraw/zinc/29/95/68/1101299568.db2.gz DVTIRZGNBUHFHL-SECBINFHSA-N 0 0 347.749 2.565 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCN(C)c1ccccn1 ZINC001643448144 1101300818 /nfs/dbraw/zinc/30/08/18/1101300818.db2.gz VZVDHOWCUZXIEH-UHFFFAOYSA-N 0 0 342.399 2.863 10 5 EFBERN NC(=O)c1cc2cc(Nc3nc4sccn4c3[N+](=O)[O-])ccc2[nH]1 ZINC001651312646 1101307873 /nfs/dbraw/zinc/30/78/73/1101307873.db2.gz MQPOFXRAGIVXPK-UHFFFAOYSA-N 0 0 342.340 2.628 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H](C)[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001651318137 1101308136 /nfs/dbraw/zinc/30/81/36/1101308136.db2.gz MWUWPAMBIXXUFA-OVGXZDLJSA-N 0 0 348.277 2.505 10 5 EFBERN Cc1nc([C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)c2cnn(C)c2)no1 ZINC001651315558 1101308512 /nfs/dbraw/zinc/30/85/12/1101308512.db2.gz QERVWVQERKCLGL-AWEZNQCLSA-N 0 0 328.332 2.530 10 5 EFBERN Cc1nc([C@H](Nc2ccc([N+](=O)[O-])c(C)c2)c2cnn(C)c2)no1 ZINC001651315564 1101308603 /nfs/dbraw/zinc/30/86/03/1101308603.db2.gz QERVWVQERKCLGL-CQSZACIVSA-N 0 0 328.332 2.530 10 5 EFBERN COC(=O)CCCCCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001651339126 1101312595 /nfs/dbraw/zinc/31/25/95/1101312595.db2.gz HYQMBAYFVZGPMF-UHFFFAOYSA-N 0 0 347.371 2.719 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@@H](CO)Cc2ccco2)c2ccccc21 ZINC001651344386 1101314684 /nfs/dbraw/zinc/31/46/84/1101314684.db2.gz AXIJOVOGOOIXPT-LBPRGKRZSA-N 0 0 327.340 2.999 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCOc1cccc(F)c1 ZINC001651362775 1101315551 /nfs/dbraw/zinc/31/55/51/1101315551.db2.gz MYWREZIXGANBSZ-UHFFFAOYSA-N 0 0 348.256 2.977 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@H](O)Cc2cccc(Cl)c2)nc2ccccn21 ZINC001651386640 1101320392 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EFBERN O=[N+]([O-])c1cc(F)c(N[C@@H]2CCCN3CCSC[C@@H]23)c(F)c1 ZINC001651411824 1101323347 /nfs/dbraw/zinc/32/33/47/1101323347.db2.gz LRYDIDLEDTZBFM-OLZOCXBDSA-N 0 0 329.372 2.865 10 5 EFBERN CCc1nccc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001651418762 1101325968 /nfs/dbraw/zinc/32/59/68/1101325968.db2.gz UHZFTHPRJNDRRH-UHFFFAOYSA-N 0 0 326.360 2.868 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cnc3n2CCC3)cc1C ZINC001651421260 1101326451 /nfs/dbraw/zinc/32/64/51/1101326451.db2.gz VQNLEGDLYHXQSK-UHFFFAOYSA-N 0 0 344.371 2.835 10 5 EFBERN CC(C)Oc1nc(NC[C@H](O)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC001651420941 1101326554 /nfs/dbraw/zinc/32/65/54/1101326554.db2.gz JIFNBGFNYGKZKC-CYBMUJFWSA-N 0 0 349.362 2.932 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2ccc3c(c2)OCCCO3)c(F)c1 ZINC001651426459 1101328444 /nfs/dbraw/zinc/32/84/44/1101328444.db2.gz MJABVYMBKOBCIG-UHFFFAOYSA-N 0 0 333.319 2.945 10 5 EFBERN COc1cc2c(cc1O)CCN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC001651423885 1101328536 /nfs/dbraw/zinc/32/85/36/1101328536.db2.gz LIHZFJYMDNSJMD-UHFFFAOYSA-N 0 0 340.339 2.748 10 5 EFBERN CCC(=O)c1ccc(N2CCN(CC(C)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001651456799 1101331498 /nfs/dbraw/zinc/33/14/98/1101331498.db2.gz GBHXWHUMDDJMJB-UHFFFAOYSA-N 0 0 341.358 2.965 10 5 EFBERN COc1cccc(-c2cc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])on2)c1 ZINC001651455038 1101332938 /nfs/dbraw/zinc/33/29/38/1101332938.db2.gz QTVYUGKCPOENEJ-UHFFFAOYSA-N 0 0 342.311 2.971 10 5 EFBERN Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1N1CCCC1 ZINC001651470219 1101334048 /nfs/dbraw/zinc/33/40/48/1101334048.db2.gz YALKJCFPPUKBRB-UHFFFAOYSA-N 0 0 341.371 2.733 10 5 EFBERN C[C@@H]1CN(CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCO1 ZINC001651467877 1101334169 /nfs/dbraw/zinc/33/41/69/1101334169.db2.gz QNDJMUXMSLMNPI-SNVBAGLBSA-N 0 0 333.310 2.746 10 5 EFBERN CC1(C)CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1c1ccccc1 ZINC001651466115 1101334539 /nfs/dbraw/zinc/33/45/39/1101334539.db2.gz SQPJBGTYRUZTFR-ZDUSSCGKSA-N 0 0 327.388 2.987 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC001651503979 1101339538 /nfs/dbraw/zinc/33/95/38/1101339538.db2.gz AZNBYDWOKVHUBS-JTQLQIEISA-N 0 0 349.778 2.743 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H]2CCOCC23CCCC3)c1[N+](=O)[O-] ZINC001651521999 1101341290 /nfs/dbraw/zinc/34/12/90/1101341290.db2.gz LFOBNJHZOKDWAS-CYBMUJFWSA-N 0 0 349.387 2.928 10 5 EFBERN NC(=O)c1ccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)c(F)c1 ZINC001651518538 1101341337 /nfs/dbraw/zinc/34/13/37/1101341337.db2.gz RMROTWAPWLDIMJ-UHFFFAOYSA-N 0 0 331.303 2.899 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H]2CCOCC23CCCC3)c1[N+](=O)[O-] ZINC001651522001 1101342212 /nfs/dbraw/zinc/34/22/12/1101342212.db2.gz LFOBNJHZOKDWAS-ZDUSSCGKSA-N 0 0 349.387 2.928 10 5 EFBERN CCC(CC)[C@H](O)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651532612 1101343981 /nfs/dbraw/zinc/34/39/81/1101343981.db2.gz FDRMTMLXCIYBGE-OAHLLOKOSA-N 0 0 348.359 2.682 10 5 EFBERN Cn1c(CCNc2ncc([N+](=O)[O-])cc2F)nc2ccc(F)cc21 ZINC001651544975 1101345944 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EFBERN CCc1ncncc1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000784934953 1101363577 /nfs/dbraw/zinc/36/35/77/1101363577.db2.gz GBTCKYJSGCSPMC-UHFFFAOYSA-N 0 0 333.369 2.896 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NCCOc1ncccc1F)CCCC2 ZINC001651659582 1101364114 /nfs/dbraw/zinc/36/41/14/1101364114.db2.gz MMQRKQURPHTELU-UHFFFAOYSA-N 0 0 332.335 2.894 10 5 EFBERN Cn1cc(CCC(=O)OCCSc2ccc([N+](=O)[O-])cc2)cn1 ZINC000784936142 1101366498 /nfs/dbraw/zinc/36/64/98/1101366498.db2.gz GPQMNIQCMTVHNM-UHFFFAOYSA-N 0 0 335.385 2.596 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1cnns1 ZINC001266603217 1101366596 /nfs/dbraw/zinc/36/65/96/1101366596.db2.gz LDPOHZFPIMTYJO-UHFFFAOYSA-N 0 0 331.712 2.525 10 5 EFBERN NC(=O)c1cc(N[C@@H]2COc3cc(F)cc(F)c32)ccc1[N+](=O)[O-] ZINC001651736372 1101375417 /nfs/dbraw/zinc/37/54/17/1101375417.db2.gz AYWPRASTCWUQSK-LLVKDONJSA-N 0 0 335.266 2.518 10 5 EFBERN CCOC(=O)c1c(Cn2cnc([N+](=O)[O-])c2)occ1C(F)(F)F ZINC001651745736 1101375655 /nfs/dbraw/zinc/37/56/55/1101375655.db2.gz FPOVXDMDUCLEDA-UHFFFAOYSA-N 0 0 333.222 2.628 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C2CC2)CC1 ZINC001651755765 1101378498 /nfs/dbraw/zinc/37/84/98/1101378498.db2.gz WUTGPNDBVSMQFF-UHFFFAOYSA-N 0 0 328.372 2.710 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C1CC1)C1CC1 ZINC001651755622 1101378807 /nfs/dbraw/zinc/37/88/07/1101378807.db2.gz QNWZITGCMPDAHB-UHFFFAOYSA-N 0 0 342.399 2.956 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2c(C)cccc2Cl)c1 ZINC001651762526 1101379095 /nfs/dbraw/zinc/37/90/95/1101379095.db2.gz QAPBVVAJFZEKNB-UHFFFAOYSA-N 0 0 336.731 2.553 10 5 EFBERN CCC(F)(F)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651755573 1101379695 /nfs/dbraw/zinc/37/96/95/1101379695.db2.gz PCOJRUBRDHEAFX-UHFFFAOYSA-N 0 0 326.303 2.565 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1scnc1Cl ZINC001651786706 1101383553 /nfs/dbraw/zinc/38/35/53/1101383553.db2.gz AUCQIQSVEMNDBX-UHFFFAOYSA-N 0 0 348.771 2.977 10 5 EFBERN COC(=O)c1csc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])n1 ZINC001651889408 1101399059 /nfs/dbraw/zinc/39/90/59/1101399059.db2.gz JEIUGBWKVRUCIV-UHFFFAOYSA-N 0 0 336.325 2.620 10 5 EFBERN O=[N+]([O-])c1c(NC[C@H](CO)Cc2cccnc2)ccc2cnccc21 ZINC001651923218 1101405550 /nfs/dbraw/zinc/40/55/50/1101405550.db2.gz BPWOZBQHMCZNMZ-CQSZACIVSA-N 0 0 338.367 2.801 10 5 EFBERN CC(=O)c1ccccc1OCCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001651962135 1101410799 /nfs/dbraw/zinc/41/07/99/1101410799.db2.gz XLSKNXRUFHLHIF-UHFFFAOYSA-N 0 0 342.307 2.784 10 5 EFBERN Cc1ccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)cc1[N+](=O)[O-] ZINC001651971678 1101413121 /nfs/dbraw/zinc/41/31/21/1101413121.db2.gz XFDBQYOCHQMMFC-UHFFFAOYSA-N 0 0 346.324 2.631 10 5 EFBERN COc1cccc2c1OCC[C@H]2Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001651993414 1101414247 /nfs/dbraw/zinc/41/42/47/1101414247.db2.gz SXZTYQBBXDYPLI-CYBMUJFWSA-N 0 0 343.339 2.638 10 5 EFBERN Cc1noc(CN(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)n1 ZINC001651993330 1101415457 /nfs/dbraw/zinc/41/54/57/1101415457.db2.gz PHFWABIGJMQXIA-UHFFFAOYSA-N 0 0 334.723 2.519 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(N2CCC=C(c3ccccn3)C2)cc1F ZINC001652001985 1101416213 /nfs/dbraw/zinc/41/62/13/1101416213.db2.gz OCHOTMKRIZNFJA-UHFFFAOYSA-N 0 0 329.331 2.915 10 5 EFBERN O=c1ccc(CCNc2ncc([N+](=O)[O-])cc2Br)c[nH]1 ZINC001651995809 1101417525 /nfs/dbraw/zinc/41/75/25/1101417525.db2.gz HMZJTNNNXWWMIB-UHFFFAOYSA-N 0 0 339.149 2.508 10 5 EFBERN O=c1ccc(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c[nH]1 ZINC001651996272 1101417529 /nfs/dbraw/zinc/41/75/29/1101417529.db2.gz QYGVVUVFWCPNFW-UHFFFAOYSA-N 0 0 328.250 2.764 10 5 EFBERN CCCc1n[nH]c(C(=O)NCC2CCC(SC)CC2)c1[N+](=O)[O-] ZINC001652026033 1101421467 /nfs/dbraw/zinc/42/14/67/1101421467.db2.gz MPXMMOIYGWEYAY-UHFFFAOYSA-N 0 0 340.449 2.922 10 5 EFBERN COc1ncc(Br)cc1CNc1ncc([N+](=O)[O-])s1 ZINC001652051929 1101426406 /nfs/dbraw/zinc/42/64/06/1101426406.db2.gz LMOWSLNNKRBYLO-UHFFFAOYSA-N 0 0 345.178 2.830 10 5 EFBERN COc1ncc(Br)cc1CNc1cccnc1[N+](=O)[O-] ZINC001652051700 1101426993 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CCn1nc(C)c(CN(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC001652106406 1101435401 /nfs/dbraw/zinc/43/54/01/1101435401.db2.gz JXTNHNMHOBUOJR-UHFFFAOYSA-N 0 0 333.348 2.973 10 5 EFBERN C[C@H]1CC[C@@H](Nc2nn(C)cc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001652106377 1101435411 /nfs/dbraw/zinc/43/54/11/1101435411.db2.gz IWVHEVKPNYDKAW-WDEREUQCSA-N 0 0 339.396 2.528 10 5 EFBERN NC(=O)c1cc2cc(Nc3nc4ccccn4c3[N+](=O)[O-])ccc2[nH]1 ZINC001652111495 1101435953 /nfs/dbraw/zinc/43/59/53/1101435953.db2.gz FVONZHDPTJUOJK-UHFFFAOYSA-N 0 0 336.311 2.566 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2csc(-c3cccs3)n2)c1=O ZINC001652136511 1101441852 /nfs/dbraw/zinc/44/18/52/1101441852.db2.gz MWOPXIBGKAYAQC-UHFFFAOYSA-N 0 0 349.393 2.998 10 5 EFBERN O=C1Nc2ccccc2[C@]1(O)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC001652186490 1101449793 /nfs/dbraw/zinc/44/97/93/1101449793.db2.gz WRORKFNBVFZMME-MRXNPFEDSA-N 0 0 347.758 2.890 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC001652204740 1101451372 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0 0 344.371 2.662 10 5 EFBERN NC(=O)c1cc(NCC[C@@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC001652267201 1101465026 /nfs/dbraw/zinc/46/50/26/1101465026.db2.gz JBWBSLMNZSFVJU-KRWDZBQOSA-N 0 0 341.367 2.810 10 5 EFBERN Nc1ncc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001625806886 1101467243 /nfs/dbraw/zinc/46/72/43/1101467243.db2.gz GREKZYGDEIQNNR-HNNXBMFYSA-N 0 0 338.367 2.864 10 5 EFBERN CCC(=O)N1CCc2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc21 ZINC001652273407 1101467379 /nfs/dbraw/zinc/46/73/79/1101467379.db2.gz RHLLZKUSDLEKBP-UHFFFAOYSA-N 0 0 328.328 2.738 10 5 EFBERN CCc1nn(C)c(Nc2ccc(Cc3nc(C)no3)cc2)c1[N+](=O)[O-] ZINC001652289018 1101469282 /nfs/dbraw/zinc/46/92/82/1101469282.db2.gz YGYSCNUIWXGDLI-UHFFFAOYSA-N 0 0 342.359 2.917 10 5 EFBERN O=[N+]([O-])c1c(NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)ccc2cnccc21 ZINC001652284566 1101469752 /nfs/dbraw/zinc/46/97/52/1101469752.db2.gz FROOKEIBLPOOET-YHWZYXNKSA-N 0 0 347.396 2.663 10 5 EFBERN COC(=O)c1cnc(CCNc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC001652292520 1101471443 /nfs/dbraw/zinc/47/14/43/1101471443.db2.gz VSOAFKFBVYCWIB-UHFFFAOYSA-N 0 0 343.311 2.771 10 5 EFBERN COc1cnc([C@@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])[nH]c1=O ZINC001652304567 1101473695 /nfs/dbraw/zinc/47/36/95/1101473695.db2.gz GVASOYZCWYEFSO-NSHDSACASA-N 0 0 334.307 2.580 10 5 EFBERN COc1cnc([C@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])[nH]c1=O ZINC001652304566 1101474018 /nfs/dbraw/zinc/47/40/18/1101474018.db2.gz GVASOYZCWYEFSO-LLVKDONJSA-N 0 0 334.307 2.580 10 5 EFBERN Cc1cccnc1[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001652320443 1101477071 /nfs/dbraw/zinc/47/70/71/1101477071.db2.gz NEKSMGZPPCKFFI-VIFPVBQESA-N 0 0 341.414 2.936 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccncc3[N+](=O)[O-])CCC[C@H]12 ZINC001652320429 1101477649 /nfs/dbraw/zinc/47/76/49/1101477649.db2.gz MYKIECHQVONOEW-WMLDXEAASA-N 0 0 348.403 2.756 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1(C)C ZINC001652337190 1101479373 /nfs/dbraw/zinc/47/93/73/1101479373.db2.gz 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O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1scnc1Cl ZINC001652629651 1101523590 /nfs/dbraw/zinc/52/35/90/1101523590.db2.gz RGGWFISUCPEAJR-UHFFFAOYSA-N 0 0 338.732 2.570 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnc2n[nH]cc2c1 ZINC001652725204 1101534521 /nfs/dbraw/zinc/53/45/21/1101534521.db2.gz JJFGHBMRTUJPMJ-UHFFFAOYSA-N 0 0 336.311 2.529 10 5 EFBERN COc1cncc(/C=C/CCn2cc(Cl)cc([N+](=O)[O-])c2=O)c1 ZINC001652720563 1101535245 /nfs/dbraw/zinc/53/52/45/1101535245.db2.gz JTSGXAQWZUEDMA-DUXPYHPUSA-N 0 0 335.747 2.917 10 5 EFBERN O=CNc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001652731058 1101537475 /nfs/dbraw/zinc/53/74/75/1101537475.db2.gz SZLSUPAMRMVOIB-JKSUJKDBSA-N 0 0 325.324 2.905 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1cncc(Cl)c1 ZINC001652790126 1101545994 /nfs/dbraw/zinc/54/59/94/1101545994.db2.gz TZDXMHCMMLAPMZ-UHFFFAOYSA-N 0 0 332.703 2.508 10 5 EFBERN O=C(COc1c(Cl)cncc1[N+](=O)[O-])Nc1ccc(Cl)nc1 ZINC001652830689 1101555148 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EFBERN O=C(NC[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1)c1ccccc1 ZINC000360989185 283973401 /nfs/dbraw/zinc/97/34/01/283973401.db2.gz AMNYSEJRCXVGDG-AWEZNQCLSA-N 0 0 340.383 2.636 10 5 EFBERN COc1cc(C(=O)N(C(C)C)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000410510722 242598087 /nfs/dbraw/zinc/59/80/87/242598087.db2.gz PWHIDJPPBCTARB-UHFFFAOYSA-N 0 0 340.351 2.772 10 5 EFBERN Cc1cc(NC(=O)C(=O)NCC2(C3CCC3)CCC2)ccc1[N+](=O)[O-] ZINC000411588743 242881146 /nfs/dbraw/zinc/88/11/46/242881146.db2.gz BDCIIKNSBDFVCM-UHFFFAOYSA-N 0 0 345.399 2.928 10 5 EFBERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1[nH]ncc1[N+](=O)[O-] ZINC000157812025 284020692 /nfs/dbraw/zinc/02/06/92/284020692.db2.gz RTXMUQIHNPOUCE-GFCCVEGCSA-N 0 0 342.355 2.884 10 5 EFBERN COc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccccc2[N+](=O)[O-])O1 ZINC000021092061 212206020 /nfs/dbraw/zinc/20/60/20/212206020.db2.gz OKKKGPNMVRVIOP-QGZVFWFLSA-N 0 0 341.323 2.843 10 5 EFBERN COc1ccc([C@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000020946000 212190917 /nfs/dbraw/zinc/19/09/17/212190917.db2.gz WRABHSHYEIORSO-QGZVFWFLSA-N 0 0 341.323 2.843 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000411839870 242987744 /nfs/dbraw/zinc/98/77/44/242987744.db2.gz DLMZWYDYZUCBHZ-NSHDSACASA-N 0 0 333.388 2.797 10 5 EFBERN CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CC(C)(C)C1 ZINC000411888276 243017611 /nfs/dbraw/zinc/01/76/11/243017611.db2.gz AWMKDSQFCFXSTL-UHFFFAOYSA-N 0 0 333.388 2.879 10 5 EFBERN Cc1ccsc1[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412243741 243224988 /nfs/dbraw/zinc/22/49/88/243224988.db2.gz OHKGLEXYABMUPE-RRFJBIMHSA-N 0 0 346.408 2.918 10 5 EFBERN CC(C)C[C@@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412250579 243228444 /nfs/dbraw/zinc/22/84/44/243228444.db2.gz FAPBZSCLAJSYBE-AWEZNQCLSA-N 0 0 338.404 2.861 10 5 EFBERN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CCCCC2 ZINC000076481851 216775465 /nfs/dbraw/zinc/77/54/65/216775465.db2.gz LWSNQIBAYIEZIX-UHFFFAOYSA-N 0 0 345.399 2.507 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C2CCC2)C1 ZINC000412440436 243312444 /nfs/dbraw/zinc/31/24/44/243312444.db2.gz DGPQLLJFLHGFCN-KRWDZBQOSA-N 0 0 347.415 2.814 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412682533 243383169 /nfs/dbraw/zinc/38/31/69/243383169.db2.gz WBGANJFLTDSSJW-CQSZACIVSA-N 0 0 340.383 2.738 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2csc(N3CCCC3)n2)c(F)c1 ZINC000413167556 243513494 /nfs/dbraw/zinc/51/34/94/243513494.db2.gz VMMCMZBLPUHHFN-UHFFFAOYSA-N 0 0 337.380 2.840 10 5 EFBERN CC[C@H](NC(=O)N[C@@H](C)c1csnn1)c1cccc([N+](=O)[O-])c1 ZINC000413348774 243627970 /nfs/dbraw/zinc/62/79/70/243627970.db2.gz DZDIUOZEAHDEKK-CABZTGNLSA-N 0 0 335.389 2.958 10 5 EFBERN O=c1c([N+](=O)[O-])c(NCc2ccc3c(c2)CCC3)nc2ccccn21 ZINC000076797839 216816521 /nfs/dbraw/zinc/81/65/21/216816521.db2.gz AVHOGUJCGYEUTA-UHFFFAOYSA-N 0 0 336.351 2.704 10 5 EFBERN Cn1ccnc1[C@H](N[C@@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000414327072 244089886 /nfs/dbraw/zinc/08/98/86/244089886.db2.gz BCSIDWWLHDRTIP-YSVLISHTSA-N 0 0 344.415 2.558 10 5 EFBERN CN(C)C(=O)C1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000414485930 244190659 /nfs/dbraw/zinc/19/06/59/244190659.db2.gz MKWHGJIVRVOSAN-UHFFFAOYSA-N 0 0 329.356 2.565 10 5 EFBERN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)c2c(-c3cccs3)n[nH]c21 ZINC000020213040 212111883 /nfs/dbraw/zinc/11/18/83/212111883.db2.gz MCMQGOZMXIXCDD-LBPRGKRZSA-N 0 0 326.337 2.879 10 5 EFBERN C[C@H](O)[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000414575977 244243967 /nfs/dbraw/zinc/24/39/67/244243967.db2.gz FSVBSRFCYSBQGN-LRDDRELGSA-N 0 0 348.424 2.905 10 5 EFBERN CCN(C1CC(C)(C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416625293 244759039 /nfs/dbraw/zinc/75/90/39/244759039.db2.gz QGAUSFAFGYEFMC-UHFFFAOYSA-N 0 0 340.445 2.978 10 5 EFBERN CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1Br ZINC000077955684 217006432 /nfs/dbraw/zinc/00/64/32/217006432.db2.gz XMHGXJUAQPRBOH-UHFFFAOYSA-N 0 0 331.166 2.651 10 5 EFBERN COc1ccc(CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)cc1[N+](=O)[O-] ZINC000419095675 245342097 /nfs/dbraw/zinc/34/20/97/245342097.db2.gz CPFAIXPHYGEKTN-IPTNHLRFSA-N 0 0 344.367 2.525 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000110481371 220038832 /nfs/dbraw/zinc/03/88/32/220038832.db2.gz KNWMOHKFXFVNQT-GFCCVEGCSA-N 0 0 348.790 2.920 10 5 EFBERN CCN(CC)C(=O)c1ccc(Oc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000078336498 217042057 /nfs/dbraw/zinc/04/20/57/217042057.db2.gz HDJXQFWEDLWMRV-UHFFFAOYSA-N 0 0 332.360 2.911 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1C[C@H]2CC[C@@H](C1)O2 ZINC000341608006 296186827 /nfs/dbraw/zinc/18/68/27/296186827.db2.gz DEPWHUGNCBXYNP-AOOOYVTPSA-N 0 0 330.262 2.617 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@]12CCOC2 ZINC000422064449 296186858 /nfs/dbraw/zinc/18/68/58/296186858.db2.gz JQVZLPNAQLVSJB-ZDUSSCGKSA-N 0 0 330.262 2.619 10 5 EFBERN Cc1cccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000110874092 220073705 /nfs/dbraw/zinc/07/37/05/220073705.db2.gz BNFYYOPPCSESRR-GFCCVEGCSA-N 0 0 333.369 2.573 10 5 EFBERN Cc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000110886483 220075876 /nfs/dbraw/zinc/07/58/76/220075876.db2.gz UVEOFKAHZJHRLN-ZDUSSCGKSA-N 0 0 333.369 2.573 10 5 EFBERN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000080910497 217339550 /nfs/dbraw/zinc/33/95/50/217339550.db2.gz DUFHCLFAMHEXIJ-UHFFFAOYSA-N 0 0 348.790 2.738 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000081449779 217399838 /nfs/dbraw/zinc/39/98/38/217399838.db2.gz HYNCAJFTNPKFDI-JATZPVMKSA-N 0 0 334.372 2.797 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000421459466 245985480 /nfs/dbraw/zinc/98/54/80/245985480.db2.gz UXNPJWFCUYFGPY-CYBMUJFWSA-N 0 0 342.351 2.781 10 5 EFBERN C/C=C/C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)OCC ZINC000421874456 246148521 /nfs/dbraw/zinc/14/85/21/246148521.db2.gz WZGYXRPGQZJCHM-HZRUHFOJSA-N 0 0 334.372 2.839 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CC12CCSCC2 ZINC000421909374 246160889 /nfs/dbraw/zinc/16/08/89/246160889.db2.gz GUBQJTMIWWDCQT-GFCCVEGCSA-N 0 0 335.429 2.656 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](c2ccccc2)C1 ZINC000421885445 246152264 /nfs/dbraw/zinc/15/22/64/246152264.db2.gz GCQYHHDEXRCFCX-QGZVFWFLSA-N 0 0 339.395 2.998 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC1(O)CCC1 ZINC000421993191 246206593 /nfs/dbraw/zinc/20/65/93/246206593.db2.gz MLEPZUDKDXEJRP-UHFFFAOYSA-N 0 0 326.780 2.982 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](O)CC12CCC2 ZINC000422016842 246219842 /nfs/dbraw/zinc/21/98/42/246219842.db2.gz HFHKSXKLXXOCSJ-MRXNPFEDSA-N 0 0 347.415 2.693 10 5 EFBERN C[C@H](C(=O)N1CC[C@H](O)CC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000422023692 246225319 /nfs/dbraw/zinc/22/53/19/246225319.db2.gz PNPQLKAYXOBMCH-AAEUAGOBSA-N 0 0 336.363 2.743 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@]12CCOC2 ZINC000422065732 246246513 /nfs/dbraw/zinc/24/65/13/246246513.db2.gz GUNWTWIKNCCNDE-CYBMUJFWSA-N 0 0 330.262 2.619 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nccn1C(F)F ZINC000264279851 246284713 /nfs/dbraw/zinc/28/47/13/246284713.db2.gz QDVNOVKDJSONTA-VIFPVBQESA-N 0 0 345.327 2.862 10 5 EFBERN CCOCCO[C@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808667 217647803 /nfs/dbraw/zinc/64/78/03/217647803.db2.gz OZENTRPRUHUIMD-CHWSQXEVSA-N 0 0 325.361 2.949 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC(CC(F)F)C2)c1 ZINC000425089393 246965830 /nfs/dbraw/zinc/96/58/30/246965830.db2.gz XKYLDQGNQZCNFM-UHFFFAOYSA-N 0 0 328.315 2.786 10 5 EFBERN COc1cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)c(F)cc1[N+](=O)[O-] ZINC000425249558 247016378 /nfs/dbraw/zinc/01/63/78/247016378.db2.gz CSTOVUODXHIRHN-SNVBAGLBSA-N 0 0 348.334 2.997 10 5 EFBERN COc1cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000425258452 247019280 /nfs/dbraw/zinc/01/92/80/247019280.db2.gz WJBZNRIMCNRLHD-LLVKDONJSA-N 0 0 330.344 2.858 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@]2(F)c2ccccc2)n1 ZINC000425270449 247023722 /nfs/dbraw/zinc/02/37/22/247023722.db2.gz GIPVRJVHSAUXRU-BBRMVZONSA-N 0 0 331.303 2.826 10 5 EFBERN COC(=O)c1cc(C)nc(N2Cc3ccc(C)cc3C2)c1[N+](=O)[O-] ZINC000343068037 284526504 /nfs/dbraw/zinc/52/65/04/284526504.db2.gz NFVMTBIHYKUQJS-UHFFFAOYSA-N 0 0 327.340 2.913 10 5 EFBERN Cc1nc(C)c(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)o1 ZINC000425307824 247037243 /nfs/dbraw/zinc/03/72/43/247037243.db2.gz SKIZRLGRBCZARB-UHFFFAOYSA-N 0 0 341.270 2.731 10 5 EFBERN COc1ccnc(N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000425617890 247149554 /nfs/dbraw/zinc/14/95/54/247149554.db2.gz IRJOBCATTSRGDG-UHFFFAOYSA-N 0 0 329.356 2.939 10 5 EFBERN COc1ccnc(N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000425627002 247152574 /nfs/dbraw/zinc/15/25/74/247152574.db2.gz ZMNKFWSOPBPWOJ-UHFFFAOYSA-N 0 0 331.328 2.592 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CC12CC2 ZINC000425522401 247120013 /nfs/dbraw/zinc/12/00/13/247120013.db2.gz MQMJYEMVUXBSBL-LLVKDONJSA-N 0 0 329.278 2.965 10 5 EFBERN COC(=O)/C=C/c1ccc(SC[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000265178722 247274033 /nfs/dbraw/zinc/27/40/33/247274033.db2.gz DCROTYOINURMQC-STUBTGCMSA-N 0 0 339.369 2.682 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000426406623 247277736 /nfs/dbraw/zinc/27/77/36/247277736.db2.gz VZDFHSGTTXWDJD-UHFFFAOYSA-N 0 0 339.351 2.804 10 5 EFBERN O=C(N[C@H]1CCC12CCCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426368179 247269862 /nfs/dbraw/zinc/26/98/62/247269862.db2.gz XNLNPHWWMHJUCR-AWEZNQCLSA-N 0 0 347.419 2.861 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C(=O)Nc2ccccc2)CC1 ZINC000426378655 247271416 /nfs/dbraw/zinc/27/14/16/247271416.db2.gz MSFZYVUGFQSEJQ-UHFFFAOYSA-N 0 0 339.351 2.804 10 5 EFBERN COc1ccc(NC(=O)c2ccc(N(C)C(C)=O)cc2)c([N+](=O)[O-])c1 ZINC000427189862 247327644 /nfs/dbraw/zinc/32/76/44/247327644.db2.gz RCRLGRDOGHRJNR-UHFFFAOYSA-N 0 0 343.339 2.838 10 5 EFBERN CC(C)[C@@](C)(CO)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427366534 247343380 /nfs/dbraw/zinc/34/33/80/247343380.db2.gz NUMTXNGSLHDSKU-CQSZACIVSA-N 0 0 346.836 2.864 10 5 EFBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1 ZINC000427380482 247344062 /nfs/dbraw/zinc/34/40/62/247344062.db2.gz VVSHPDOIDXTDHL-HNNXBMFYSA-N 0 0 348.330 2.860 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000427442259 247352288 /nfs/dbraw/zinc/35/22/88/247352288.db2.gz OPWIBALHDXGTGE-HNNXBMFYSA-N 0 0 342.399 2.906 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000427499330 247358035 /nfs/dbraw/zinc/35/80/35/247358035.db2.gz JXWBNJUUROCILL-UHFFFAOYSA-N 0 0 344.367 2.898 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000427503487 247358886 /nfs/dbraw/zinc/35/88/86/247358886.db2.gz BTNODZYTLFSYRR-JTQLQIEISA-N 0 0 334.763 2.567 10 5 EFBERN Cc1cnc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000427503876 247359314 /nfs/dbraw/zinc/35/93/14/247359314.db2.gz GXZVEEWANWRATJ-INIZCTEOSA-N 0 0 345.380 2.892 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(O)cc3)CC2)n1 ZINC000427514290 247360090 /nfs/dbraw/zinc/36/00/90/247360090.db2.gz BSUYWOIJUUOHBF-UHFFFAOYSA-N 0 0 344.371 2.537 10 5 EFBERN CCN(CC)C(=O)[C@H]1CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352357355 284554712 /nfs/dbraw/zinc/55/47/12/284554712.db2.gz QJJCVFYPFURFMJ-OAHLLOKOSA-N 0 0 342.399 2.980 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)N2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430283303 247761045 /nfs/dbraw/zinc/76/10/45/247761045.db2.gz JAXDNOCKEFGBIZ-WCQYABFASA-N 0 0 333.388 2.828 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000360133273 284570642 /nfs/dbraw/zinc/57/06/42/284570642.db2.gz IXXVZENWDGNZLP-ZIAGYGMSSA-N 0 0 334.372 2.634 10 5 EFBERN CC(=O)c1cnc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000430692090 247825727 /nfs/dbraw/zinc/82/57/27/247825727.db2.gz LKZOMFFXFKKFCO-UHFFFAOYSA-N 0 0 335.341 2.580 10 5 EFBERN CC(C)OC[C@H](CO)N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000432862485 247996855 /nfs/dbraw/zinc/99/68/55/247996855.db2.gz FHLSWTYRGOOZPW-HNNXBMFYSA-N 0 0 345.399 2.879 10 5 EFBERN COc1ccc(CN[C@](C)(c2noc(C)n2)C2CC2)cc1[N+](=O)[O-] ZINC000433293305 248039455 /nfs/dbraw/zinc/03/94/55/248039455.db2.gz DHERYVBXMIHBJR-INIZCTEOSA-N 0 0 332.360 2.710 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000433080675 248012801 /nfs/dbraw/zinc/01/28/01/248012801.db2.gz DGKCWMXECWBRDU-QOZQQMKHSA-N 0 0 333.388 2.710 10 5 EFBERN COCc1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ncn1 ZINC000433269451 248036329 /nfs/dbraw/zinc/03/63/29/248036329.db2.gz BKFQSSKKVVSCBX-UHFFFAOYSA-N 0 0 345.359 2.588 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000433553854 248070100 /nfs/dbraw/zinc/07/01/00/248070100.db2.gz HMUKOIOJJIIDJA-UHFFFAOYSA-N 0 0 333.388 2.968 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(F)(c2ccccc2)CC1 ZINC000433592247 248074316 /nfs/dbraw/zinc/07/43/16/248074316.db2.gz SDDRTLZZLLCKTA-UHFFFAOYSA-N 0 0 344.346 2.904 10 5 EFBERN Cc1cc(NC[C@@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266099256 248096059 /nfs/dbraw/zinc/09/60/59/248096059.db2.gz HIUVHAMLBRFDOT-DZGCQCFKSA-N 0 0 328.372 2.933 10 5 EFBERN CC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000434246439 248135463 /nfs/dbraw/zinc/13/54/63/248135463.db2.gz SQUOUKVVFXKDHW-NSHDSACASA-N 0 0 348.407 2.673 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2c[nH]cn2)CC1 ZINC000434300165 248139754 /nfs/dbraw/zinc/13/97/54/248139754.db2.gz MJMFLSWIHRIKLJ-UHFFFAOYSA-N 0 0 339.355 2.819 10 5 EFBERN Cc1nn(C)c(C)c1OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000266183395 248154930 /nfs/dbraw/zinc/15/49/30/248154930.db2.gz YWZUMKHODLCUKG-UHFFFAOYSA-N 0 0 328.328 2.505 10 5 EFBERN Cc1ccc(Cl)c(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1C ZINC000434484029 248159484 /nfs/dbraw/zinc/15/94/84/248159484.db2.gz XJWWSOLRKRWSRM-UHFFFAOYSA-N 0 0 337.767 2.883 10 5 EFBERN CC(C)Oc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1C(N)=O ZINC000433953243 248107048 /nfs/dbraw/zinc/10/70/48/248107048.db2.gz ZOTHKRPGZMRUJD-UHFFFAOYSA-N 0 0 349.368 2.795 10 5 EFBERN Cc1ccc(Cl)c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000434023511 248115277 /nfs/dbraw/zinc/11/52/77/248115277.db2.gz UWZZJGNNONSUEC-UHFFFAOYSA-N 0 0 335.747 2.665 10 5 EFBERN COc1ccc(CNc2ncnc3c(F)cccc23)cc1[N+](=O)[O-] ZINC000434075087 248121264 /nfs/dbraw/zinc/12/12/64/248121264.db2.gz MZXDUADPIUGXAT-UHFFFAOYSA-N 0 0 328.303 2.720 10 5 EFBERN O=C1CCCN1CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266140032 248124825 /nfs/dbraw/zinc/12/48/25/248124825.db2.gz GVQHOWUNXHXQDQ-UHFFFAOYSA-N 0 0 329.303 2.621 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CNCc3ccc(-c4cc[nH]n4)o3)nc2c1 ZINC000434985933 248201898 /nfs/dbraw/zinc/20/18/98/248201898.db2.gz DJOCMCAHEZEZQV-UHFFFAOYSA-N 0 0 338.327 2.744 10 5 EFBERN COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000266278351 248219366 /nfs/dbraw/zinc/21/93/66/248219366.db2.gz ZPDJJEMWYFVWAG-LBPRGKRZSA-N 0 0 348.380 2.651 10 5 EFBERN Cc1cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)ccc1[N+](=O)[O-] ZINC000435285926 248224117 /nfs/dbraw/zinc/22/41/17/248224117.db2.gz AZFAMNJJHIRAEU-AWEZNQCLSA-N 0 0 339.351 2.759 10 5 EFBERN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000435290011 248224127 /nfs/dbraw/zinc/22/41/27/248224127.db2.gz JIQYRVIFJMXWAW-LLVKDONJSA-N 0 0 343.314 2.590 10 5 EFBERN Cc1cc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc([N+](=O)[O-])c1 ZINC000435298975 248224545 /nfs/dbraw/zinc/22/45/45/248224545.db2.gz AYIKZRSQYROCHS-CQSZACIVSA-N 0 0 339.351 2.759 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCc1ccccn1 ZINC000435346270 248229309 /nfs/dbraw/zinc/22/93/09/248229309.db2.gz RAENPEANZAXWEK-UHFFFAOYSA-N 0 0 338.367 2.694 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266334392 248253160 /nfs/dbraw/zinc/25/31/60/248253160.db2.gz KXTQPPDEEXCXCX-QPUJVOFHSA-N 0 0 332.278 2.504 10 5 EFBERN O=C(NC1CC1)c1ccc(NCCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000434947365 248198922 /nfs/dbraw/zinc/19/89/22/248198922.db2.gz PNKJSLDVFRJLCB-UHFFFAOYSA-N 0 0 340.383 2.927 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439914283 284626435 /nfs/dbraw/zinc/62/64/35/284626435.db2.gz VJQHOLHMZKPELP-ZIAGYGMSSA-N 0 0 343.383 2.965 10 5 EFBERN O=C(c1ccc(N2CCC2)nc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000410613896 284661814 /nfs/dbraw/zinc/66/18/14/284661814.db2.gz CMEWYHGLHJAKLP-UHFFFAOYSA-N 0 0 338.367 2.793 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCF ZINC000435594583 249381857 /nfs/dbraw/zinc/38/18/57/249381857.db2.gz XIXMOQCCUYUOAE-UHFFFAOYSA-N 0 0 345.396 2.541 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)N1CCCCCC1 ZINC000012777926 211453778 /nfs/dbraw/zinc/45/37/78/211453778.db2.gz MDYILWAZYFUHRM-ZDUSSCGKSA-N 0 0 341.433 2.708 10 5 EFBERN CC1(C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000089919621 217882249 /nfs/dbraw/zinc/88/22/49/217882249.db2.gz WBJAOBLOKVEIBB-QFIPXVFZSA-N 0 0 345.808 2.623 10 5 EFBERN Cc1cn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)nc1[N+](=O)[O-] ZINC000439207488 249802986 /nfs/dbraw/zinc/80/29/86/249802986.db2.gz HEVPIRDJBYAUHF-UHFFFAOYSA-N 0 0 336.714 2.521 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439914281 249874119 /nfs/dbraw/zinc/87/41/19/249874119.db2.gz VJQHOLHMZKPELP-UONOGXRCSA-N 0 0 343.383 2.965 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441209082 250008711 /nfs/dbraw/zinc/00/87/11/250008711.db2.gz RVLYZGVMYPDBAX-KFWWJZLASA-N 0 0 347.415 2.670 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)no1 ZINC000441230258 250010884 /nfs/dbraw/zinc/01/08/84/250010884.db2.gz LRNNQMDQXXIMCL-UHFFFAOYSA-N 0 0 349.347 2.606 10 5 EFBERN Cc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000442448845 250083543 /nfs/dbraw/zinc/08/35/43/250083543.db2.gz QBXWVOVIEPZADI-NSHDSACASA-N 0 0 345.355 2.572 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000443165000 250166871 /nfs/dbraw/zinc/16/68/71/250166871.db2.gz FHUASPXXQXBFKL-UHFFFAOYSA-N 0 0 326.312 2.748 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000443174556 250169107 /nfs/dbraw/zinc/16/91/07/250169107.db2.gz AEWTZEUVWUMLTH-UHFFFAOYSA-N 0 0 326.312 2.748 10 5 EFBERN C[C@H](OC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000009500923 211093271 /nfs/dbraw/zinc/09/32/71/211093271.db2.gz JIMHOHQGKMBCPM-QMMMGPOBSA-N 0 0 337.719 2.760 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000443780092 250223656 /nfs/dbraw/zinc/22/36/56/250223656.db2.gz KQMXWJVHEMNDEE-LLVKDONJSA-N 0 0 334.344 2.592 10 5 EFBERN CCc1n[nH]c(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000443947274 250240020 /nfs/dbraw/zinc/24/00/20/250240020.db2.gz KOUQRPBKCDQJLG-QMMMGPOBSA-N 0 0 338.314 2.992 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000443780583 250223844 /nfs/dbraw/zinc/22/38/44/250223844.db2.gz IVEXIVAJWZQVLC-RRFJBIMHSA-N 0 0 338.429 2.983 10 5 EFBERN Cc1nnc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000009453977 211086498 /nfs/dbraw/zinc/08/64/98/211086498.db2.gz UCZBUKDJQSDLEV-UHFFFAOYSA-N 0 0 328.350 2.625 10 5 EFBERN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cn[nH]c1 ZINC000444252142 250276574 /nfs/dbraw/zinc/27/65/74/250276574.db2.gz VFHKVBQCEQIXKA-LLVKDONJSA-N 0 0 332.363 2.895 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](CC)c2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000444133768 250262512 /nfs/dbraw/zinc/26/25/12/250262512.db2.gz AOSBBFQXLXPSKW-JTQLQIEISA-N 0 0 342.359 2.638 10 5 EFBERN COc1cccc(C(=O)Nc2cccc(CCCO)c2)c1[N+](=O)[O-] ZINC000444362967 250293562 /nfs/dbraw/zinc/29/35/62/250293562.db2.gz KWPDDAMRWMNHPS-UHFFFAOYSA-N 0 0 330.340 2.781 10 5 EFBERN COc1cccc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000444381845 250294965 /nfs/dbraw/zinc/29/49/65/250294965.db2.gz LJIYHOXPDCYQRP-KRWDZBQOSA-N 0 0 336.388 2.665 10 5 EFBERN Cc1n[nH]cc1-c1nnc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000444465585 250302714 /nfs/dbraw/zinc/30/27/14/250302714.db2.gz HQUBESBHOAFWRM-UHFFFAOYSA-N 0 0 344.356 2.706 10 5 EFBERN O=C(NCCc1ccsc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444846847 250356908 /nfs/dbraw/zinc/35/69/08/250356908.db2.gz JIMIWXTTZMEARK-UHFFFAOYSA-N 0 0 345.384 2.575 10 5 EFBERN C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444862093 250359235 /nfs/dbraw/zinc/35/92/35/250359235.db2.gz VGVOJRXHYRZEJU-QMMMGPOBSA-N 0 0 337.282 2.807 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1(CCO)CCCCC1 ZINC000444935909 250367745 /nfs/dbraw/zinc/36/77/45/250367745.db2.gz IGUQJQYIFXVEFH-UHFFFAOYSA-N 0 0 337.376 2.810 10 5 EFBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000444944775 250369544 /nfs/dbraw/zinc/36/95/44/250369544.db2.gz SUMWBXBGOYURGU-CYBMUJFWSA-N 0 0 328.372 2.815 10 5 EFBERN CN(Cc1cnccn1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445003970 250373016 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C[C@H]1CCCN(c2ccc(C(=O)Nc3cncnc3)cc2[N+](=O)[O-])C1 ZINC000341275069 145024568 /nfs/dbraw/zinc/02/45/68/145024568.db2.gz FLZHAQIEJREELQ-LBPRGKRZSA-N 0 0 341.371 2.873 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(CC(F)(F)F)cs2)n1 ZINC000341286413 145026604 /nfs/dbraw/zinc/02/66/04/145026604.db2.gz SDBSYHUFMXBDNM-UHFFFAOYSA-N 0 0 349.294 2.625 10 5 EFBERN COC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341287431 145026867 /nfs/dbraw/zinc/02/68/67/145026867.db2.gz MIRWGYONDCSNRJ-LLVKDONJSA-N 0 0 328.324 2.872 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000341290011 145026936 /nfs/dbraw/zinc/02/69/36/145026936.db2.gz PJMKNTNZBGAGHM-LLVKDONJSA-N 0 0 328.324 2.743 10 5 EFBERN COc1ccc(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000341328084 145033921 /nfs/dbraw/zinc/03/39/21/145033921.db2.gz JFSWVMLCRVDTAG-GFCCVEGCSA-N 0 0 330.340 2.860 10 5 EFBERN C[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1[N+](=O)[O-] ZINC000341329760 145034178 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C[C@@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000342310238 145097795 /nfs/dbraw/zinc/09/77/95/145097795.db2.gz VVLBKOSXNIOYAA-LLVKDONJSA-N 0 0 349.337 2.840 10 5 EFBERN C[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000342310241 145098269 /nfs/dbraw/zinc/09/82/69/145098269.db2.gz VVLBKOSXNIOYAA-NSHDSACASA-N 0 0 349.337 2.840 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342367032 145110215 /nfs/dbraw/zinc/11/02/15/145110215.db2.gz XYHZIVBIBXAWED-QMMMGPOBSA-N 0 0 346.416 2.993 10 5 EFBERN CNC(=O)c1ccc(NCc2nc3cc(C)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000342440894 145126959 /nfs/dbraw/zinc/12/69/59/145126959.db2.gz SNXXVUNOIZAOOO-UHFFFAOYSA-N 0 0 339.355 2.751 10 5 EFBERN C[C@H](NC(=O)c1cnc2ccccc2c1O)c1ccccc1[N+](=O)[O-] ZINC000342488311 145136966 /nfs/dbraw/zinc/13/69/66/145136966.db2.gz HQARQILBRMDHPU-NSHDSACASA-N 0 0 337.335 2.927 10 5 EFBERN COc1ccc(-n2cc(CNc3c(F)cccc3[N+](=O)[O-])nn2)cc1 ZINC000342506177 145139968 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O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCC2=O)cc1 ZINC000343811626 145300473 /nfs/dbraw/zinc/30/04/73/145300473.db2.gz FBEREOVSWREPII-UHFFFAOYSA-N 0 0 325.324 2.513 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cn[nH]c1 ZINC000343830671 145304578 /nfs/dbraw/zinc/30/45/78/145304578.db2.gz SFRINEZLOYJQDS-SSDOTTSWSA-N 0 0 328.250 2.828 10 5 EFBERN CN(C[C@H]1CC=CCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343837637 145305700 /nfs/dbraw/zinc/30/57/00/145305700.db2.gz PAAIIHZOKCUYHF-LBPRGKRZSA-N 0 0 332.356 2.794 10 5 EFBERN COC(=O)CC1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000343877648 145315240 /nfs/dbraw/zinc/31/52/40/145315240.db2.gz IBJKPGBOJHDZLP-UHFFFAOYSA-N 0 0 326.324 2.522 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1ccnn1 ZINC000343891998 145318721 /nfs/dbraw/zinc/31/87/21/145318721.db2.gz RSJJIGDERUFUIL-UHFFFAOYSA-N 0 0 349.416 2.509 10 5 EFBERN Cc1cc(CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])on1 ZINC000343918185 145324228 /nfs/dbraw/zinc/32/42/28/145324228.db2.gz QPZHZLSGNLWWJB-UHFFFAOYSA-N 0 0 332.360 2.684 10 5 EFBERN Cc1cc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)on1 ZINC000343937431 145328345 /nfs/dbraw/zinc/32/83/45/145328345.db2.gz YLWMOFLKTUPNKU-UHFFFAOYSA-N 0 0 344.371 2.782 10 5 EFBERN CCc1ccc(CC)c(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000343974942 145336621 /nfs/dbraw/zinc/33/66/21/145336621.db2.gz HYFKODKLYATZAF-UHFFFAOYSA-N 0 0 329.356 2.520 10 5 EFBERN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000343982979 145338796 /nfs/dbraw/zinc/33/87/96/145338796.db2.gz PESVMOYZPYIHGP-GFCCVEGCSA-N 0 0 326.418 2.793 10 5 EFBERN CC(C)(C)n1cnc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000344079300 145363290 /nfs/dbraw/zinc/36/32/90/145363290.db2.gz ZWNORNAHUOUIAT-UHFFFAOYSA-N 0 0 342.359 2.604 10 5 EFBERN Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344096634 145367213 /nfs/dbraw/zinc/36/72/13/145367213.db2.gz CBBJBZNVUZJKRQ-UHFFFAOYSA-N 0 0 337.383 2.816 10 5 EFBERN CCOC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000345412568 145534699 /nfs/dbraw/zinc/53/46/99/145534699.db2.gz MMBHWAJKTAUBIS-LLVKDONJSA-N 0 0 343.339 2.658 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](O)Cc1ccccc1 ZINC000345595427 145574551 /nfs/dbraw/zinc/57/45/51/145574551.db2.gz WBBAYJAFOVNDGD-CQSZACIVSA-N 0 0 348.786 2.890 10 5 EFBERN CC(C)(COCC(F)F)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000345649482 145587305 /nfs/dbraw/zinc/58/73/05/145587305.db2.gz NOZRVYHQMLQTGR-UHFFFAOYSA-N 0 0 342.302 2.786 10 5 EFBERN Cc1ccc(NCCCNC(=O)C2CCC(=O)CC2)c([N+](=O)[O-])c1 ZINC000346377388 145648573 /nfs/dbraw/zinc/64/85/73/145648573.db2.gz HBVWLXYGLALVIG-UHFFFAOYSA-N 0 0 333.388 2.581 10 5 EFBERN CCOc1ccc(C(=O)Nc2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000346566430 145665079 /nfs/dbraw/zinc/66/50/79/145665079.db2.gz FRUFJTPIVVPNLR-XMMPIXPASA-N 0 0 348.380 2.983 10 5 EFBERN CCNc1ccc(C(=O)NCC[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000346892641 145743819 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Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccn1 ZINC000349153391 146060457 /nfs/dbraw/zinc/06/04/57/146060457.db2.gz RWLXOVYPBTUBAE-UHFFFAOYSA-N 0 0 325.246 2.991 10 5 EFBERN COc1cc(NCCCNC(=O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000351476368 146126512 /nfs/dbraw/zinc/12/65/12/146126512.db2.gz KXMMOZAUTHFKAH-UHFFFAOYSA-N 0 0 347.346 2.975 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC(O)(Cc3cccc(F)c3)CC2)cn1 ZINC000351543344 146141994 /nfs/dbraw/zinc/14/19/94/146141994.db2.gz JPHXKTQEFLDBOV-UHFFFAOYSA-N 0 0 331.347 2.703 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351618409 146159541 /nfs/dbraw/zinc/15/95/41/146159541.db2.gz GQVVSCFRYSVHPU-SECBINFHSA-N 0 0 349.366 2.837 10 5 EFBERN Cc1ccsc1[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351622241 146161327 /nfs/dbraw/zinc/16/13/27/146161327.db2.gz RPIYDMAGNJLDCH-GFCCVEGCSA-N 0 0 339.348 2.959 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](CCO)c1ccccc1 ZINC000351627323 146162963 /nfs/dbraw/zinc/16/29/63/146162963.db2.gz GMCLNKNBBTYINP-AWEZNQCLSA-N 0 0 333.319 2.979 10 5 EFBERN COc1cccc(C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n1 ZINC000351671446 146173244 /nfs/dbraw/zinc/17/32/44/146173244.db2.gz DQMADRKBDNEYMI-UHFFFAOYSA-N 0 0 346.730 2.884 10 5 EFBERN CCOC(=O)c1c(C)onc1COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351695087 146179743 /nfs/dbraw/zinc/17/97/43/146179743.db2.gz MKWGTVDDTMEEKT-UHFFFAOYSA-N 0 0 336.300 2.656 10 5 EFBERN CO[C@@H]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000351757254 146196649 /nfs/dbraw/zinc/19/66/49/146196649.db2.gz MMSYQGZVOAKYHX-RKDXNWHRSA-N 0 0 332.278 2.911 10 5 EFBERN C[C@H](NC(=O)N[C@@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000351773237 146200429 /nfs/dbraw/zinc/20/04/29/146200429.db2.gz JRNDLLGADRDWRC-HZMBPMFUSA-N 0 0 335.385 2.750 10 5 EFBERN COc1cc(Cn2cccc(C(F)(F)F)c2=O)ccc1[N+](=O)[O-] ZINC000351828802 146213332 /nfs/dbraw/zinc/21/33/32/146213332.db2.gz IPKQRBWMHKTCFQ-UHFFFAOYSA-N 0 0 328.246 2.832 10 5 EFBERN COc1cc(Cn2nnc(-c3ccccc3C)n2)ccc1[N+](=O)[O-] ZINC000351837877 146214650 /nfs/dbraw/zinc/21/46/50/146214650.db2.gz JHMTUKAZGQYHJT-UHFFFAOYSA-N 0 0 325.328 2.614 10 5 EFBERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351854195 146218743 /nfs/dbraw/zinc/21/87/43/146218743.db2.gz NHDYQMZOHFVFIV-HNNXBMFYSA-N 0 0 341.358 2.706 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCc2ccccn2)c1 ZINC000351875729 146223286 /nfs/dbraw/zinc/22/32/86/146223286.db2.gz GBEIBXJLVDVBQV-UHFFFAOYSA-N 0 0 349.412 2.518 10 5 EFBERN O=[N+]([O-])c1cnccc1NCCNc1cccc(Br)c1 ZINC000351878448 146224118 /nfs/dbraw/zinc/22/41/18/146224118.db2.gz OSYKCLGXKOFISR-UHFFFAOYSA-N 0 0 337.177 2.698 10 5 EFBERN O=C(NCCOCC(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000351904127 146231681 /nfs/dbraw/zinc/23/16/81/146231681.db2.gz FPZKSVVXGRVOIC-UHFFFAOYSA-N 0 0 342.220 2.625 10 5 EFBERN COc1cc(CN2CCN(c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000351971746 146251675 /nfs/dbraw/zinc/25/16/75/146251675.db2.gz VSOFSJJAHARLKT-UHFFFAOYSA-N 0 0 348.428 2.691 10 5 EFBERN CCOC(=O)CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC000351995260 146259029 /nfs/dbraw/zinc/25/90/29/146259029.db2.gz PVBFRVBFZGEEGV-UHFFFAOYSA-N 0 0 328.315 2.791 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)N[C@H](CO)c2ccsc2)cccc1[N+](=O)[O-] ZINC000352033090 146271387 /nfs/dbraw/zinc/27/13/87/146271387.db2.gz QJUZJBSSIJWMAK-BXUZGUMPSA-N 0 0 349.412 2.615 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N[C@@H](CO)c2ccsc2)cccc1[N+](=O)[O-] ZINC000352033091 146271392 /nfs/dbraw/zinc/27/13/92/146271392.db2.gz QJUZJBSSIJWMAK-FZMZJTMJSA-N 0 0 349.412 2.615 10 5 EFBERN Cc1ccsc1[C@H](CO)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000352070108 146281549 /nfs/dbraw/zinc/28/15/49/146281549.db2.gz QWQSCZZXLYIBKF-AWEZNQCLSA-N 0 0 349.412 2.540 10 5 EFBERN O=C(N[C@@H]1CCc2c1cccc2F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352106046 146290235 /nfs/dbraw/zinc/29/02/35/146290235.db2.gz LIICNSXEKJTMTL-CYBMUJFWSA-N 0 0 344.298 2.880 10 5 EFBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352144756 146300712 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EFBERN Cc1cccnc1-c1noc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000355828111 147076730 /nfs/dbraw/zinc/07/67/30/147076730.db2.gz XSKJGSTXIBMCLH-UHFFFAOYSA-N 0 0 326.268 2.744 10 5 EFBERN COc1ccc(CC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000355861639 147085271 /nfs/dbraw/zinc/08/52/71/147085271.db2.gz JGMZFKSUNHQXRY-UHFFFAOYSA-N 0 0 330.388 2.796 10 5 EFBERN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000355887877 147091857 /nfs/dbraw/zinc/09/18/57/147091857.db2.gz VAMNTYFCWDETHX-UHFFFAOYSA-N 0 0 337.382 2.963 10 5 EFBERN CC(=O)Nc1cccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000355933153 147101929 /nfs/dbraw/zinc/10/19/29/147101929.db2.gz YZXXFNUNIHBWCA-UHFFFAOYSA-N 0 0 341.367 2.868 10 5 EFBERN Cn1c(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)ccc1[N+](=O)[O-] ZINC000355979011 147114676 /nfs/dbraw/zinc/11/46/76/147114676.db2.gz HEEKGADTTJKZOU-UHFFFAOYSA-N 0 0 343.339 2.929 10 5 EFBERN CCCOc1ccc(-c2noc(-c3c([N+](=O)[O-])cnn3C)n2)cc1 ZINC000356015434 147124084 /nfs/dbraw/zinc/12/40/84/147124084.db2.gz UEYHRKSMQVTGEI-UHFFFAOYSA-N 0 0 329.316 2.834 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)[nH]1 ZINC000356041360 147130652 /nfs/dbraw/zinc/13/06/52/147130652.db2.gz TUQVPPKVWVVMFE-UHFFFAOYSA-N 0 0 326.316 2.635 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000356053381 147133803 /nfs/dbraw/zinc/13/38/03/147133803.db2.gz CNKOJHNEAQTWFX-CQSZACIVSA-N 0 0 341.319 2.669 10 5 EFBERN C[C@H](C(=O)N[C@@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1F ZINC000356234754 147183877 /nfs/dbraw/zinc/18/38/77/147183877.db2.gz RRSZIIJYOOVLFL-XPTSAGLGSA-N 0 0 338.360 2.749 10 5 EFBERN O=C(N[C@@H](CO)c1ccsc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356256148 147190807 /nfs/dbraw/zinc/19/08/07/147190807.db2.gz RTUHXVLYDGSAOI-LBPRGKRZSA-N 0 0 332.337 2.866 10 5 EFBERN COc1c(C(=O)N2CCO[C@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000356411843 147237635 /nfs/dbraw/zinc/23/76/35/147237635.db2.gz FFFFDXHIHBZECV-AWEZNQCLSA-N 0 0 348.380 2.879 10 5 EFBERN CN(Cc1c(F)cccc1Cl)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000356458910 147250010 /nfs/dbraw/zinc/25/00/10/147250010.db2.gz PSFGHJXQLZIPHT-UHFFFAOYSA-N 0 0 338.726 2.518 10 5 EFBERN Cc1ccsc1[C@@H](CO)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356468653 147252844 /nfs/dbraw/zinc/25/28/44/147252844.db2.gz ZMDRLDGLHDMLJD-CYBMUJFWSA-N 0 0 349.412 2.617 10 5 EFBERN COc1c(C(=O)N(C)CCc2ncc(C)s2)cccc1[N+](=O)[O-] ZINC000356567240 147279715 /nfs/dbraw/zinc/27/97/15/147279715.db2.gz PNSJBPCMNCBGAI-UHFFFAOYSA-N 0 0 335.385 2.683 10 5 EFBERN Cn1c(-c2nc(-c3cccc(-n4ccnc4)c3)no2)ccc1[N+](=O)[O-] ZINC000356596408 147286240 /nfs/dbraw/zinc/28/62/40/147286240.db2.gz RGRANJZHUBNKJP-UHFFFAOYSA-N 0 0 336.311 2.836 10 5 EFBERN Cc1ccc(Cl)cc1-c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000356608469 147289045 /nfs/dbraw/zinc/28/90/45/147289045.db2.gz PANZUKDHTSXCLW-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN O=C(c1cc2[nH]ccc2s1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000356621507 147292969 /nfs/dbraw/zinc/29/29/69/147292969.db2.gz AWXLWKOBKLZPLC-UHFFFAOYSA-N 0 0 328.353 2.731 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)c2cnc3n[nH]nc3c2)cc1[N+](=O)[O-] ZINC000356733329 147321993 /nfs/dbraw/zinc/32/19/93/147321993.db2.gz LAPCLPUQSORSKS-UHFFFAOYSA-N 0 0 340.343 2.811 10 5 EFBERN Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000356766286 147330199 /nfs/dbraw/zinc/33/01/99/147330199.db2.gz WPQOXMIXCPHVBU-BZNIZROVSA-N 0 0 342.399 2.985 10 5 EFBERN O=C(CCc1c[nH]cn1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356805902 147341018 /nfs/dbraw/zinc/34/10/18/147341018.db2.gz JZLWUZWSABOOEM-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN C[C@@H](C(=O)N1CCCCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000356813957 147343628 /nfs/dbraw/zinc/34/36/28/147343628.db2.gz NNYDTSFTVGMPSG-CHWSQXEVSA-N 0 0 338.379 2.991 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1n[nH]c2cc(F)ccc21 ZINC000356821433 147345239 /nfs/dbraw/zinc/34/52/39/147345239.db2.gz JBFFCEBXEIJGJX-UHFFFAOYSA-N 0 0 330.275 2.628 10 5 EFBERN COc1cc(C(=O)N2CCCCC[C@H]2CCO)cc([N+](=O)[O-])c1C ZINC000356837977 147350087 /nfs/dbraw/zinc/35/00/87/147350087.db2.gz WKCMAWRDRPQTEP-AWEZNQCLSA-N 0 0 336.388 2.679 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000356848104 147354026 /nfs/dbraw/zinc/35/40/26/147354026.db2.gz LOQNMTCGKHKFEX-MRVPVSSYSA-N 0 0 349.297 2.961 10 5 EFBERN O=C(CC1(C(F)(F)F)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000356989991 147392710 /nfs/dbraw/zinc/39/27/10/147392710.db2.gz ZQSHAQQTTWHEIN-UHFFFAOYSA-N 0 0 344.289 2.917 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nc2cccnc2[nH]1 ZINC000356997962 147395616 /nfs/dbraw/zinc/39/56/16/147395616.db2.gz JYEVTMFWQUYKNK-UHFFFAOYSA-N 0 0 345.746 2.758 10 5 EFBERN Cc1ccc(-c2nc(-c3ccc(CC(N)=O)cc3)no2)cc1[N+](=O)[O-] ZINC000357149114 147439813 /nfs/dbraw/zinc/43/98/13/147439813.db2.gz WVLQZUZRMARBMY-UHFFFAOYSA-N 0 0 338.323 2.648 10 5 EFBERN C[C@@H]1C[C@@H](c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000357463980 147532291 /nfs/dbraw/zinc/53/22/91/147532291.db2.gz FWBNPMOFHVQEKE-NEPJUHHUSA-N 0 0 332.360 2.897 10 5 EFBERN CCOC(=O)c1ccnc(NCc2ccc3cc[nH]c3n2)c1[N+](=O)[O-] ZINC000357583625 147565135 /nfs/dbraw/zinc/56/51/35/147565135.db2.gz RBLKYCXOTRYKPB-UHFFFAOYSA-N 0 0 341.327 2.655 10 5 EFBERN COc1cnc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1 ZINC000357708765 147599505 /nfs/dbraw/zinc/59/95/05/147599505.db2.gz UBUBKHZJHGNMAF-UHFFFAOYSA-N 0 0 326.312 2.687 10 5 EFBERN C[C@H](c1nc(Cc2cncn2C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000357942803 147665686 /nfs/dbraw/zinc/66/56/86/147665686.db2.gz FWSNNTGJKQFONV-VIFPVBQESA-N 0 0 331.307 2.593 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@H]1C ZINC000358385477 147788306 /nfs/dbraw/zinc/78/83/06/147788306.db2.gz OLVAGNFRVKVDGL-LLVKDONJSA-N 0 0 328.390 2.557 10 5 EFBERN CCc1nc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)cs1 ZINC000358416406 147797052 /nfs/dbraw/zinc/79/70/52/147797052.db2.gz STOJSVMILDRMAN-UHFFFAOYSA-N 0 0 334.401 2.922 10 5 EFBERN Cc1cccc(C(=O)NCCNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000359079972 147988536 /nfs/dbraw/zinc/98/85/36/147988536.db2.gz CSZQZVHXFIEGDJ-UHFFFAOYSA-N 0 0 328.372 2.757 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(C(=O)N(C)C)cc2)n1 ZINC000359083638 147989209 /nfs/dbraw/zinc/98/92/09/147989209.db2.gz PBJNVKDHESEYCZ-UHFFFAOYSA-N 0 0 328.372 2.921 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C2=O)n1 ZINC000359113257 147997669 /nfs/dbraw/zinc/99/76/69/147997669.db2.gz ZSEYMSSYDVGKAS-HNNXBMFYSA-N 0 0 340.383 2.820 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2=O)n1 ZINC000359113258 147998025 /nfs/dbraw/zinc/99/80/25/147998025.db2.gz ZSEYMSSYDVGKAS-OAHLLOKOSA-N 0 0 340.383 2.820 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000359174419 148014825 /nfs/dbraw/zinc/01/48/25/148014825.db2.gz IKYDNVUWIQHYSU-UHFFFAOYSA-N 0 0 340.257 2.967 10 5 EFBERN O=C(Cn1cccc([N+](=O)[O-])c1=O)c1ccc(C(F)(F)F)cc1 ZINC000359175281 148015330 /nfs/dbraw/zinc/01/53/30/148015330.db2.gz KSHZKDASNJMJGJ-UHFFFAOYSA-N 0 0 326.230 2.658 10 5 EFBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCOC2(CCC2)C1 ZINC000359417310 148080491 /nfs/dbraw/zinc/08/04/91/148080491.db2.gz BOBCIRMHJMHOME-UHFFFAOYSA-N 0 0 342.298 2.591 10 5 EFBERN O=C(NCC1(O)CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359437250 148084527 /nfs/dbraw/zinc/08/45/27/148084527.db2.gz JWCWFBLQNKBHSK-UHFFFAOYSA-N 0 0 344.314 2.621 10 5 EFBERN C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359495304 148101037 /nfs/dbraw/zinc/10/10/37/148101037.db2.gz IBHQAFDSQQUVDL-MWLCHTKSSA-N 0 0 344.314 2.572 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(CCCO)c1 ZINC000359508319 148104915 /nfs/dbraw/zinc/10/49/15/148104915.db2.gz XOAADQHZWPXJQG-UHFFFAOYSA-N 0 0 343.383 2.960 10 5 EFBERN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cncc(F)c1 ZINC000359539390 148115123 /nfs/dbraw/zinc/11/51/23/148115123.db2.gz IGVICUDKKVQUOH-LLVKDONJSA-N 0 0 342.330 2.961 10 5 EFBERN Cc1c(CNC(=O)N2CCC(c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000359551771 148120185 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CC[C@@H](NC(=O)c1ccc(NC(C)=O)cn1)c1cccc([N+](=O)[O-])c1 ZINC000359985010 148242327 /nfs/dbraw/zinc/24/23/27/148242327.db2.gz KOTANAZCHMVIOT-OAHLLOKOSA-N 0 0 342.355 2.829 10 5 EFBERN Cc1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)c(F)cc1[N+](=O)[O-] ZINC000360074168 148265432 /nfs/dbraw/zinc/26/54/32/148265432.db2.gz QIRZMVMDVGOSSA-LBPRGKRZSA-N 0 0 333.367 2.857 10 5 EFBERN Cc1cc(NCCC2CCS(=O)(=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000360082580 148266723 /nfs/dbraw/zinc/26/67/23/148266723.db2.gz MCSCMJSJDIWCIC-UHFFFAOYSA-N 0 0 330.381 2.669 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC(=O)NC2CCCCC2)c1 ZINC000360145794 148283481 /nfs/dbraw/zinc/28/34/81/148283481.db2.gz ZZRMMDSMPFMPTH-UHFFFAOYSA-N 0 0 349.387 2.632 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2nccn2C(F)F)c1 ZINC000360143982 148283620 /nfs/dbraw/zinc/28/36/20/148283620.db2.gz LHZIYZYZUBCVEA-UHFFFAOYSA-N 0 0 340.286 2.609 10 5 EFBERN O=C(NCCC1(F)CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000360220333 148303019 /nfs/dbraw/zinc/30/30/19/148303019.db2.gz HVYGJTIITWYSOS-UHFFFAOYSA-N 0 0 332.335 2.793 10 5 EFBERN CCOc1cc(N2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000360259650 148313356 /nfs/dbraw/zinc/31/33/56/148313356.db2.gz YEAODXSVEPEGDE-QGZVFWFLSA-N 0 0 336.388 2.768 10 5 EFBERN CNC(=O)C[C@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000360281971 148318903 /nfs/dbraw/zinc/31/89/03/148318903.db2.gz DFVIBHOMMCPEFN-AWEZNQCLSA-N 0 0 328.372 2.896 10 5 EFBERN COc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000360391684 148349758 /nfs/dbraw/zinc/34/97/58/148349758.db2.gz DUBRDWGYJZUFHS-STQMWFEESA-N 0 0 349.387 2.884 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(c3ccccc3F)C2)c1 ZINC000360418798 148357033 /nfs/dbraw/zinc/35/70/33/148357033.db2.gz DBPPABYUQGTTMP-UHFFFAOYSA-N 0 0 336.344 2.522 10 5 EFBERN O=C(NCC[C@H]1COc2ccccc2O1)Nc1cccc([N+](=O)[O-])c1 ZINC000360524808 148382738 /nfs/dbraw/zinc/38/27/38/148382738.db2.gz KOECVWDVRBMPTK-AWEZNQCLSA-N 0 0 343.339 2.946 10 5 EFBERN CC1(C)C(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000360541641 148388570 /nfs/dbraw/zinc/38/85/70/148388570.db2.gz WCDSPFZFLUDGQL-UHFFFAOYSA-N 0 0 326.418 2.696 10 5 EFBERN CC(C)c1nn(C)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000360702510 148429730 /nfs/dbraw/zinc/42/97/30/148429730.db2.gz JLESKZAXKTYLTC-AWEZNQCLSA-N 0 0 343.387 2.669 10 5 EFBERN Cc1ccc(CC[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000360877250 148477919 /nfs/dbraw/zinc/47/79/19/148477919.db2.gz NPMZPGJLENCJKD-NSHDSACASA-N 0 0 338.385 2.796 10 5 EFBERN CNc1c(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000360956277 148500715 /nfs/dbraw/zinc/50/07/15/148500715.db2.gz UMTPJCWBYNMILV-OLZOCXBDSA-N 0 0 333.388 2.525 10 5 EFBERN COC(=O)[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000361735172 148687251 /nfs/dbraw/zinc/68/72/51/148687251.db2.gz HUDNXNGPXZSHTP-AFCDSYGPSA-N 0 0 342.351 2.818 10 5 EFBERN COc1ncccc1CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362189867 148772788 /nfs/dbraw/zinc/77/27/88/148772788.db2.gz MMRLXRZRSNKKES-UHFFFAOYSA-N 0 0 335.747 2.624 10 5 EFBERN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000362235428 148782894 /nfs/dbraw/zinc/78/28/94/148782894.db2.gz PDJSCPHRNAXLGS-JTQLQIEISA-N 0 0 332.278 2.865 10 5 EFBERN COC(=O)[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000362326011 148800162 /nfs/dbraw/zinc/80/01/62/148800162.db2.gz UQVNTWBGUNKQKG-INIZCTEOSA-N 0 0 348.330 2.746 10 5 EFBERN Cc1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nc1[N+](=O)[O-] ZINC000362331258 148801468 /nfs/dbraw/zinc/80/14/68/148801468.db2.gz XYSJDQMMTISBNQ-SECBINFHSA-N 0 0 346.170 2.846 10 5 EFBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000362478249 148828119 /nfs/dbraw/zinc/82/81/19/148828119.db2.gz AVWUMOKKBROCTC-LLVKDONJSA-N 0 0 329.356 2.985 10 5 EFBERN CCOC(=O)c1nnc(Sc2nc(C)cc(C)c2[N+](=O)[O-])s1 ZINC000362667023 148865534 /nfs/dbraw/zinc/86/55/34/148865534.db2.gz QRUJQEVXXQLHTK-UHFFFAOYSA-N 0 0 340.386 2.786 10 5 EFBERN CS(=O)(=O)c1cccnc1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000362844444 148894844 /nfs/dbraw/zinc/89/48/44/148894844.db2.gz UQCLMQOYHGYUFO-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN Cc1ccc([C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)cc1 ZINC000363746522 149006937 /nfs/dbraw/zinc/00/69/37/149006937.db2.gz KPSCLTSKAMCIJW-AWEZNQCLSA-N 0 0 326.356 2.742 10 5 EFBERN Cc1ccnc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000363831026 149017317 /nfs/dbraw/zinc/01/73/17/149017317.db2.gz OVUFJSNVCOLZAW-UHFFFAOYSA-N 0 0 326.356 2.713 10 5 EFBERN Cc1ccnc(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000363836992 149018078 /nfs/dbraw/zinc/01/80/78/149018078.db2.gz VLVSWXIQZLTDDY-UHFFFAOYSA-N 0 0 340.383 2.642 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Oc2ccccc2)CC1 ZINC000363851635 149020888 /nfs/dbraw/zinc/02/08/88/149020888.db2.gz CSHWUGGNAVGAJD-UHFFFAOYSA-N 0 0 327.340 2.673 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000363880899 149026151 /nfs/dbraw/zinc/02/61/51/149026151.db2.gz HDGBFIBASJYPSN-HNNXBMFYSA-N 0 0 327.319 2.731 10 5 EFBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363957420 149036977 /nfs/dbraw/zinc/03/69/77/149036977.db2.gz DENUPADGGUIKCI-BLLLJJGKSA-N 0 0 327.340 2.592 10 5 EFBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](C2CC2)C1 ZINC000364414611 149144440 /nfs/dbraw/zinc/14/44/40/149144440.db2.gz FMEXBLRGVXFZOO-ABAIWWIYSA-N 0 0 344.371 2.817 10 5 EFBERN C[C@H]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000364686177 149217286 /nfs/dbraw/zinc/21/72/86/149217286.db2.gz KJHWAXPCECQCPN-SJCJKPOMSA-N 0 0 331.372 2.572 10 5 EFBERN Cc1c(C(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000365016591 149296938 /nfs/dbraw/zinc/29/69/38/149296938.db2.gz UYQDCYLCILUSAP-OAHLLOKOSA-N 0 0 337.339 2.541 10 5 EFBERN COCC[C@@H]1CCCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000365039728 149303159 /nfs/dbraw/zinc/30/31/59/149303159.db2.gz GVECQCNFNQNDCY-AWEZNQCLSA-N 0 0 335.404 2.672 10 5 EFBERN CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@]2(CCOC2)O1 ZINC000365465525 149402446 /nfs/dbraw/zinc/40/24/46/149402446.db2.gz JENSYIMYMRMBMK-PBHICJAKSA-N 0 0 349.387 2.705 10 5 EFBERN CN(c1ccc([N+](=O)[O-])cc1F)C1CCN(c2cnccn2)CC1 ZINC000366009137 149531650 /nfs/dbraw/zinc/53/16/50/149531650.db2.gz LGDPREIGIINMDZ-UHFFFAOYSA-N 0 0 331.351 2.629 10 5 EFBERN Cc1nc(N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000366136552 149562765 /nfs/dbraw/zinc/56/27/65/149562765.db2.gz UHFZBTOMXVGIJT-GXTWGEPZSA-N 0 0 348.403 2.744 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000367863257 149973614 /nfs/dbraw/zinc/97/36/14/149973614.db2.gz WKCVFONRYWZBCR-CYBMUJFWSA-N 0 0 329.331 2.834 10 5 EFBERN CO[C@]1(C)CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000344215167 286155180 /nfs/dbraw/zinc/15/51/80/286155180.db2.gz PXEZCMVFUQTALE-MRXNPFEDSA-N 0 0 342.342 2.833 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]2CCCC[C@H]21 ZINC000368082481 150031035 /nfs/dbraw/zinc/03/10/35/150031035.db2.gz WDFCZKIFUGHILB-YWPYICTPSA-N 0 0 333.388 2.805 10 5 EFBERN Nc1ccc(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1[N+](=O)[O-] ZINC000368623772 150165554 /nfs/dbraw/zinc/16/55/54/150165554.db2.gz LVIBWEFIFBGQJX-PBHICJAKSA-N 0 0 341.367 2.827 10 5 EFBERN COCC[C@@H]1CCCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000368629515 150167450 /nfs/dbraw/zinc/16/74/50/150167450.db2.gz AEWVLKUTUAMZHY-ZDUSSCGKSA-N 0 0 335.404 2.764 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000368632397 150168409 /nfs/dbraw/zinc/16/84/09/150168409.db2.gz JCSSTVFEDZGASY-GFCCVEGCSA-N 0 0 346.387 2.750 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000368706377 150186623 /nfs/dbraw/zinc/18/66/23/150186623.db2.gz JFBLZMYJTXADBJ-CZUORRHYSA-N 0 0 338.429 2.937 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1C[C@@]12CCOC2 ZINC000368836965 150217101 /nfs/dbraw/zinc/21/71/01/150217101.db2.gz YPQIVKPXUBYMDD-NOZJJQNGSA-N 0 0 341.161 2.722 10 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Cc1cn2c(n1)CN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CC2 ZINC000372628456 151040395 /nfs/dbraw/zinc/04/03/95/151040395.db2.gz BIEGVTWPFAOZLA-UHFFFAOYSA-N 0 0 328.372 2.879 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC12CCOCC2 ZINC000372717575 151050944 /nfs/dbraw/zinc/05/09/44/151050944.db2.gz PXFKZSKNYCDMPN-UHFFFAOYSA-N 0 0 327.340 2.538 10 5 EFBERN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000372797764 151063917 /nfs/dbraw/zinc/06/39/17/151063917.db2.gz BROFNWDEGGBNFA-LBPRGKRZSA-N 0 0 346.774 2.652 10 5 EFBERN COc1cc(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000372917023 151080702 /nfs/dbraw/zinc/08/07/02/151080702.db2.gz LQKRXGBJQJMNOX-LLVKDONJSA-N 0 0 340.401 2.557 10 5 EFBERN C[C@@H]1CC2(CCC2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000373018116 151100126 /nfs/dbraw/zinc/10/01/26/151100126.db2.gz JGMZXFQIYSMEMT-SECBINFHSA-N 0 0 330.431 2.829 10 5 EFBERN C[C@H]1CC(=O)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cn3)ccc21 ZINC000373302810 151149403 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EFBERN O=C(CC[NH+]1CCC(c2c[nH]cn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374200160 151300032 /nfs/dbraw/zinc/30/00/32/151300032.db2.gz OTPULNAYWJJZRG-UHFFFAOYSA-N 0 0 343.387 2.526 10 5 EFBERN CCc1nn(C)c(NC2CCC(c3nc(C)no3)CC2)c1[N+](=O)[O-] ZINC000374253053 151309133 /nfs/dbraw/zinc/30/91/33/151309133.db2.gz DBXJVDIJJPXYID-UHFFFAOYSA-N 0 0 334.380 2.720 10 5 EFBERN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC(=O)N1Cc1ccccc1 ZINC000374414160 151343616 /nfs/dbraw/zinc/34/36/16/151343616.db2.gz GLDTZHLNABNKBR-ZYHUDNBSSA-N 0 0 332.385 2.653 10 5 EFBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000374474230 151353775 /nfs/dbraw/zinc/35/37/75/151353775.db2.gz YPUIFAOKKFBODM-JTQLQIEISA-N 0 0 349.362 2.772 10 5 EFBERN CC1=C(c2ccco2)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000374573468 151373075 /nfs/dbraw/zinc/37/30/75/151373075.db2.gz UTMISPFPWRRXQB-UHFFFAOYSA-N 0 0 329.312 2.608 10 5 EFBERN COc1cc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc1[N+](=O)[O-] ZINC000374640598 151386322 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EFBERN C[C@@H]1C[C@]2(CCO1)CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000376586421 151740774 /nfs/dbraw/zinc/74/07/74/151740774.db2.gz LIHXYGKGUYLVJY-PBFPGSCMSA-N 0 0 349.387 2.785 10 5 EFBERN C[C@H]1CC[C@@]2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)C1 ZINC000376866743 151783386 /nfs/dbraw/zinc/78/33/86/151783386.db2.gz MNEYCWDIPCHKAF-APPDUMDISA-N 0 0 332.356 2.976 10 5 EFBERN CC(C)c1ccc(C(=O)N2CC(F)(F)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000377009734 151805502 /nfs/dbraw/zinc/80/55/02/151805502.db2.gz LGUGXYWJCUCZPQ-LLVKDONJSA-N 0 0 328.315 2.560 10 5 EFBERN Cc1cccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c1[N+](=O)[O-] ZINC000377410452 151870023 /nfs/dbraw/zinc/87/00/23/151870023.db2.gz IPUIAXSCLLTZGX-GFCCVEGCSA-N 0 0 343.387 2.712 10 5 EFBERN CC(C)n1ncc2c1C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000377792763 151947403 /nfs/dbraw/zinc/94/74/03/151947403.db2.gz OUJRGZMYKUQCNS-GFCCVEGCSA-N 0 0 334.401 2.721 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000377876556 151964348 /nfs/dbraw/zinc/96/43/48/151964348.db2.gz XOQJTLTWIKWONZ-XFLKPENQSA-N 0 0 339.779 2.873 10 5 EFBERN Cc1cccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)c1[N+](=O)[O-] ZINC000378148565 152020442 /nfs/dbraw/zinc/02/04/42/152020442.db2.gz PDKPDUVBSDFSIX-ZDUSSCGKSA-N 0 0 330.315 2.776 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000368086490 296669352 /nfs/dbraw/zinc/66/93/52/296669352.db2.gz PXBHYZKSWTYUTN-IAQYHMDHSA-N 0 0 342.392 2.935 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@H]2COCC[C@@H]21 ZINC000408024660 152144878 /nfs/dbraw/zinc/14/48/78/152144878.db2.gz FOXARSRORNSXKC-FZMZJTMJSA-N 0 0 329.356 2.717 10 5 EFBERN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000408067550 152147922 /nfs/dbraw/zinc/14/79/22/152147922.db2.gz CYGUZDPVHSXKMI-MJBXVCDLSA-N 0 0 347.415 2.778 10 5 EFBERN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000408067546 152148218 /nfs/dbraw/zinc/14/82/18/152148218.db2.gz 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COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356469295 286513153 /nfs/dbraw/zinc/51/31/53/286513153.db2.gz DWVPWLFJZCVSAJ-IEBWSBKVSA-N 0 0 340.379 2.992 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000305345061 164534553 /nfs/dbraw/zinc/53/45/53/164534553.db2.gz UPCCUXUYEGGUMW-VIFPVBQESA-N 0 0 346.170 2.846 10 5 EFBERN Cc1cnc(N2CCC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000337792553 164545687 /nfs/dbraw/zinc/54/56/87/164545687.db2.gz DOWJORUFCMRMMW-GOSISDBHSA-N 0 0 327.384 2.829 10 5 EFBERN COc1nn(C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352856242 164611900 /nfs/dbraw/zinc/61/19/00/164611900.db2.gz CQXFGMDLZIGDAJ-UHFFFAOYSA-N 0 0 325.712 2.634 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc2nccnc21 ZINC000359130856 164656126 /nfs/dbraw/zinc/65/61/26/164656126.db2.gz OZPYVLGEEWYQQP-UHFFFAOYSA-N 0 0 336.351 2.853 10 5 EFBERN C[C@@H]1CCCN(c2ccc(-c3nc(N(C)C)no3)cc2[N+](=O)[O-])C1 ZINC000358571247 287360370 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COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000122939427 222187714 /nfs/dbraw/zinc/18/77/14/222187714.db2.gz QOQQSNUWUHGCKP-YVEFUNNKSA-N 0 0 349.387 2.762 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000123304314 222253528 /nfs/dbraw/zinc/25/35/28/222253528.db2.gz FCRQRIJGJMEOTR-QYJAPNMZSA-N 0 0 344.289 2.742 10 5 EFBERN Cc1c(C(=O)N2CCC(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000124864392 222488362 /nfs/dbraw/zinc/48/83/62/222488362.db2.gz DDAWBTIPWGXJAK-UHFFFAOYSA-N 0 0 328.372 2.657 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000172247649 227569780 /nfs/dbraw/zinc/56/97/80/227569780.db2.gz WAOFROOOSWCBAC-MRXNPFEDSA-N 0 0 341.367 2.730 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(CC2)c2ccccc21 ZINC000172433867 227695301 /nfs/dbraw/zinc/69/53/01/227695301.db2.gz OATLCXQNDQFAPK-UHFFFAOYSA-N 0 0 326.356 2.568 10 5 EFBERN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CC3[N+](=O)[O-])cc2)n1 ZINC000044405385 544444784 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CC(C)(C(=O)N1CCC[C@@]2(CC=CCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000114436042 264675196 /nfs/dbraw/zinc/67/51/96/264675196.db2.gz OBXGATKXFPUNEV-KRWDZBQOSA-N 0 0 332.404 2.875 10 5 EFBERN CCc1cnc(CCNC(=O)NCc2ccccc2[N+](=O)[O-])s1 ZINC000174151270 264787231 /nfs/dbraw/zinc/78/72/31/264787231.db2.gz KBZBDXQMALXMOR-UHFFFAOYSA-N 0 0 334.401 2.656 10 5 EFBERN CC[C@@H](NC(=O)C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177787418 264885888 /nfs/dbraw/zinc/88/58/88/264885888.db2.gz DOXJTUFVMQNLEN-OAHLLOKOSA-N 0 0 327.340 2.801 10 5 EFBERN CO[C@H](C)c1noc(COc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000184978231 265030665 /nfs/dbraw/zinc/03/06/65/265030665.db2.gz VRNACQFNEKSNBV-SECBINFHSA-N 0 0 330.300 2.812 10 5 EFBERN COc1ccc(F)cc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000186381430 265063733 /nfs/dbraw/zinc/06/37/33/265063733.db2.gz SKFJASLWDIJHPW-UHFFFAOYSA-N 0 0 347.346 2.784 10 5 EFBERN COC(=O)CC1(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000187940037 265121781 /nfs/dbraw/zinc/12/17/81/265121781.db2.gz 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/nfs/dbraw/zinc/79/91/28/265799128.db2.gz GEUYWYZLICNZDR-UHFFFAOYSA-N 0 0 328.372 2.836 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000270772383 265802027 /nfs/dbraw/zinc/80/20/27/265802027.db2.gz QNTZCFSDTKJWLL-UHFFFAOYSA-N 0 0 346.362 2.562 10 5 EFBERN COc1cc(NC[C@H]2COC3(CCCC3)O2)c([N+](=O)[O-])cc1F ZINC000271352233 265953134 /nfs/dbraw/zinc/95/31/34/265953134.db2.gz GNPGPCIFMACGIR-JTQLQIEISA-N 0 0 326.324 2.840 10 5 EFBERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271636082 266027866 /nfs/dbraw/zinc/02/78/66/266027866.db2.gz CACUQHXVRRQOTM-GHMZBOCLSA-N 0 0 347.396 2.652 10 5 EFBERN C[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000271640200 266029000 /nfs/dbraw/zinc/02/90/00/266029000.db2.gz ARSLLEASHWJLAS-LLVKDONJSA-N 0 0 337.376 2.639 10 5 EFBERN C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271638511 266029475 /nfs/dbraw/zinc/02/94/75/266029475.db2.gz AKLXOMPCOBUTMA-LLVKDONJSA-N 0 0 349.387 2.829 10 5 EFBERN C[C@H](NC(=O)NC[C@@H](O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000271683104 266041034 /nfs/dbraw/zinc/04/10/34/266041034.db2.gz KHKMNVUWDZTLPM-IINYFYTJSA-N 0 0 335.385 2.750 10 5 EFBERN CC(C)c1nnc(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000271685649 266042134 /nfs/dbraw/zinc/04/21/34/266042134.db2.gz DHYSYXJFCLMTGK-JTQLQIEISA-N 0 0 349.416 2.859 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H]1COC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000271725027 266050106 /nfs/dbraw/zinc/05/01/06/266050106.db2.gz SERGBWZCBJUBCP-CHWSQXEVSA-N 0 0 349.387 2.641 10 5 EFBERN COC(=O)CCCCCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271747943 266053408 /nfs/dbraw/zinc/05/34/08/266053408.db2.gz XWMLJANNRHCHAI-LBPRGKRZSA-N 0 0 337.376 2.688 10 5 EFBERN CC(C)[C@H](O)C1(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271988871 266115518 /nfs/dbraw/zinc/11/55/18/266115518.db2.gz RJGUPLQIJIGMHD-WFASDCNBSA-N 0 0 335.404 2.752 10 5 EFBERN CC[C@H](NC(=O)Nc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000090090299 272996609 /nfs/dbraw/zinc/99/66/09/272996609.db2.gz VIZSAYLUFPFCBZ-HNNXBMFYSA-N 0 0 342.355 2.967 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000272041994 266133284 /nfs/dbraw/zinc/13/32/84/266133284.db2.gz COLRQOMXTVIIEF-HOTGVXAUSA-N 0 0 334.416 2.783 10 5 EFBERN CC(C)(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000272186580 266181360 /nfs/dbraw/zinc/18/13/60/266181360.db2.gz RIQMNHFEXYUCJN-UHFFFAOYSA-N 0 0 329.150 2.911 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000272193951 266184200 /nfs/dbraw/zinc/18/42/00/266184200.db2.gz GAVKNRWNSHYTSG-HOCLYGCPSA-N 0 0 349.431 2.530 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000272324096 266229091 /nfs/dbraw/zinc/22/90/91/266229091.db2.gz LPPKSHIEMZCTFT-GOEBONIOSA-N 0 0 349.431 2.571 10 5 EFBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CC(c2ccccc2)C1 ZINC000272732781 266366774 /nfs/dbraw/zinc/36/67/74/266366774.db2.gz APDIBUQJVXWIIY-UHFFFAOYSA-N 0 0 347.396 2.600 10 5 EFBERN COC(=O)c1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103377902 273001222 /nfs/dbraw/zinc/00/12/22/273001222.db2.gz WOETZCCPLXPQDX-NSHDSACASA-N 0 0 340.335 2.973 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000273485494 266507028 /nfs/dbraw/zinc/50/70/28/266507028.db2.gz RJMQZQAYFSCLLS-SMDDNHRTSA-N 0 0 339.367 2.995 10 5 EFBERN O=C(Nc1n[nH]c(C2CCC2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000273624637 266529517 /nfs/dbraw/zinc/52/95/17/266529517.db2.gz OMVNVZJNIFWQOU-UHFFFAOYSA-N 0 0 337.286 2.711 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000275730271 266865025 /nfs/dbraw/zinc/86/50/25/266865025.db2.gz AHALGOPKEPJIJK-GHMZBOCLSA-N 0 0 325.796 2.721 10 5 EFBERN CO[C@@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC[C@H]1C ZINC000275813258 266880084 /nfs/dbraw/zinc/88/00/84/266880084.db2.gz DYBMBEGFRRGNSH-MLGOLLRUSA-N 0 0 335.404 2.594 10 5 EFBERN CCOCCOCCN(C)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000276154250 266933577 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EFBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCC2(CC2)CC1 ZINC000277459968 267183123 /nfs/dbraw/zinc/18/31/23/267183123.db2.gz PAEFQSKRGHGJQV-UHFFFAOYSA-N 0 0 345.399 2.554 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CCN(CC(F)(F)F)C3)nc2c1 ZINC000277487264 267186745 /nfs/dbraw/zinc/18/67/45/267186745.db2.gz DCAKSVNWPOKTDQ-VIFPVBQESA-N 0 0 343.309 2.767 10 5 EFBERN COC(=O)c1cc(C(=O)NC2CCC3(CC3)CC2)cc([N+](=O)[O-])c1 ZINC000277493742 267187914 /nfs/dbraw/zinc/18/79/14/267187914.db2.gz SCLHORIURHRJSY-UHFFFAOYSA-N 0 0 332.356 2.834 10 5 EFBERN Cc1cccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000277681376 267233134 /nfs/dbraw/zinc/23/31/34/267233134.db2.gz UCLMCGIFDKASJG-ZWNOBZJWSA-N 0 0 346.305 2.679 10 5 EFBERN Cc1noc(C2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000277711536 267241694 /nfs/dbraw/zinc/24/16/94/267241694.db2.gz GFVFSBVNAXGREO-UHFFFAOYSA-N 0 0 328.332 2.547 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000277742905 267250727 /nfs/dbraw/zinc/25/07/27/267250727.db2.gz RBBOGKFPKUCHRX-XJKSGUPXSA-N 0 0 335.404 2.940 10 5 EFBERN COc1ccc(N2C(=O)N[C@H](CCC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000277922150 267299955 /nfs/dbraw/zinc/29/99/55/267299955.db2.gz BDRHUKCNVUAPHB-LLVKDONJSA-N 0 0 335.360 2.855 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277965588 267309645 /nfs/dbraw/zinc/30/96/45/267309645.db2.gz PVURZKSJTCGMMC-MFKMUULPSA-N 0 0 346.305 2.679 10 5 EFBERN COc1cc(Cc2noc([C@]3(C)CCCO3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000278223311 267372994 /nfs/dbraw/zinc/37/29/94/267372994.db2.gz XYLZNGUIMXCBLE-INIZCTEOSA-N 0 0 349.343 2.611 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC(=O)OC(C)(C)C ZINC000278246077 267378818 /nfs/dbraw/zinc/37/88/18/267378818.db2.gz WLWVGZBJDSBRHZ-UHFFFAOYSA-N 0 0 342.779 2.970 10 5 EFBERN Cn1cc([C@@H](NCCOc2ccccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000278252394 267380395 /nfs/dbraw/zinc/38/03/95/267380395.db2.gz VFXMBVRBUDLPSV-CYBMUJFWSA-N 0 0 344.293 2.600 10 5 EFBERN CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000278380399 267420968 /nfs/dbraw/zinc/42/09/68/267420968.db2.gz ARNGJOUIDINQHM-NSHDSACASA-N 0 0 347.293 2.544 10 5 EFBERN C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000278785981 267557704 /nfs/dbraw/zinc/55/77/04/267557704.db2.gz YMVPRQHEGIVJOE-KCJUWKMLSA-N 0 0 332.278 2.768 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000278786446 267558486 /nfs/dbraw/zinc/55/84/86/267558486.db2.gz QDRPMLXKEMAETK-LBPRGKRZSA-N 0 0 342.277 2.670 10 5 EFBERN CS[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000158003117 273021682 /nfs/dbraw/zinc/02/16/82/273021682.db2.gz WBKDUNMSXCEKEQ-ZETCQYMHSA-N 0 0 338.838 2.586 10 5 EFBERN C[C@@H](COCc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172974955 273023349 /nfs/dbraw/zinc/02/33/49/273023349.db2.gz HTUWRPMWEIZHCC-AWEZNQCLSA-N 0 0 328.368 2.859 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N(C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000176720629 273033350 /nfs/dbraw/zinc/03/33/50/273033350.db2.gz SUOPBUDFKYPDDC-LBPRGKRZSA-N 0 0 329.360 2.596 10 5 EFBERN CCOc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194264008 273067666 /nfs/dbraw/zinc/06/76/66/273067666.db2.gz FUARBJDWBIQIKP-UHFFFAOYSA-N 0 0 329.356 2.969 10 5 EFBERN Cc1nn(C)c(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000266231338 273078946 /nfs/dbraw/zinc/07/89/46/273078946.db2.gz JPGBQBHGJUSBHU-IINYFYTJSA-N 0 0 334.351 2.742 10 5 EFBERN CCc1ccc(C(=O)NCCOc2ncccc2F)cc1[N+](=O)[O-] ZINC000269514945 273082738 /nfs/dbraw/zinc/08/27/38/273082738.db2.gz BZHASSHYQOECQR-UHFFFAOYSA-N 0 0 333.319 2.500 10 5 EFBERN COc1cc(N[C@@H]2CCCN(c3ncccn3)C2)c(F)cc1[N+](=O)[O-] ZINC000271123557 273099677 /nfs/dbraw/zinc/09/96/77/273099677.db2.gz ZCZNBDOXEPHHRO-LLVKDONJSA-N 0 0 347.350 2.613 10 5 EFBERN CCc1nn(C)c(N2C[C@H](C)O[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000271138929 273101124 /nfs/dbraw/zinc/10/11/24/273101124.db2.gz BNHWQUJRAJQZHP-SWLSCSKDSA-N 0 0 330.388 2.857 10 5 EFBERN C[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000271700722 273106460 /nfs/dbraw/zinc/10/64/60/273106460.db2.gz HLBFCTKGURWHHI-LQAWEQHXSA-N 0 0 341.367 2.613 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000271700733 273106519 /nfs/dbraw/zinc/10/65/19/273106519.db2.gz HLBFCTKGURWHHI-ZTFRIQLXSA-N 0 0 341.367 2.613 10 5 EFBERN C[C@H](NC(=O)NC[C@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271704222 273106923 /nfs/dbraw/zinc/10/69/23/273106923.db2.gz TYLJRSTYHUGYFN-LRDDRELGSA-N 0 0 335.404 2.896 10 5 EFBERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])CC2 ZINC000275061452 273136908 /nfs/dbraw/zinc/13/69/08/273136908.db2.gz QAEIWHLTABBUTP-AWEZNQCLSA-N 0 0 328.372 2.869 10 5 EFBERN Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000278995646 273164473 /nfs/dbraw/zinc/16/44/73/273164473.db2.gz SNPUMTPICFEQPQ-JSGCOSHPSA-N 0 0 328.372 2.655 10 5 EFBERN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000278995648 273164515 /nfs/dbraw/zinc/16/45/15/273164515.db2.gz SNPUMTPICFEQPQ-OCCSQVGLSA-N 0 0 328.372 2.655 10 5 EFBERN CN(CCCCO)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279055604 273171377 /nfs/dbraw/zinc/17/13/77/273171377.db2.gz PPFAIBJLBKTIEH-UHFFFAOYSA-N 0 0 349.309 2.528 10 5 EFBERN O=C(NCC1(CO)CC2(CCC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000279114716 273178216 /nfs/dbraw/zinc/17/82/16/273178216.db2.gz LFMIKMJWZXDKDQ-UHFFFAOYSA-N 0 0 338.791 2.921 10 5 EFBERN CC(C)(C(=O)NCC1(CO)CC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000279136385 273180829 /nfs/dbraw/zinc/18/08/29/273180829.db2.gz NVEJOYBLTZXCMC-UHFFFAOYSA-N 0 0 346.427 2.931 10 5 EFBERN Cc1[nH]nc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C ZINC000279179302 273185286 /nfs/dbraw/zinc/18/52/86/273185286.db2.gz DYBJRZFNKQSULY-UHFFFAOYSA-N 0 0 342.277 2.884 10 5 EFBERN C[C@H](NC(=O)NCC1(CO)CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000279470185 273218941 /nfs/dbraw/zinc/21/89/41/273218941.db2.gz LVAOLAFVUKNLJM-ZDUSSCGKSA-N 0 0 347.415 2.898 10 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C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281037017 273394081 /nfs/dbraw/zinc/39/40/81/273394081.db2.gz VWYUQTIECGWBQC-UHFFFAOYSA-N 0 0 343.383 2.504 10 5 EFBERN O=c1[nH]c(N[C@@H](CCO)C2CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281108809 273401415 /nfs/dbraw/zinc/40/14/15/273401415.db2.gz GETCLQXAXKMUBS-AWEZNQCLSA-N 0 0 346.387 2.987 10 5 EFBERN Cc1ncc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])s1 ZINC000281196007 273410157 /nfs/dbraw/zinc/41/01/57/273410157.db2.gz KNSSILLVCBWWDF-UHFFFAOYSA-N 0 0 335.385 2.753 10 5 EFBERN Cc1nn(C)c(N2CCC[C@H](c3ncc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282058750 273508527 /nfs/dbraw/zinc/50/85/27/273508527.db2.gz YGFHVFHTNYCNBU-ZDUSSCGKSA-N 0 0 344.419 2.554 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282224380 273531851 /nfs/dbraw/zinc/53/18/51/273531851.db2.gz HLOXIHSOOORZRQ-LBPRGKRZSA-N 0 0 344.371 2.740 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000282519382 273574415 /nfs/dbraw/zinc/57/44/15/273574415.db2.gz QKFQGCKCTLBUNB-CYBMUJFWSA-N 0 0 329.360 2.836 10 5 EFBERN COc1ccc(NC(=O)N[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282586665 273584860 /nfs/dbraw/zinc/58/48/60/273584860.db2.gz DKOPDMUHDYNIMY-GFCCVEGCSA-N 0 0 345.359 2.536 10 5 EFBERN CC(=O)c1ccc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])c1 ZINC000282806171 273620842 /nfs/dbraw/zinc/62/08/42/273620842.db2.gz IXDHDCOPDMCVEJ-YOEHRIQHSA-N 0 0 348.399 2.777 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000283089100 273667034 /nfs/dbraw/zinc/66/70/34/273667034.db2.gz FBNJCMLWCROUIH-YBHKSSGVSA-N 0 0 340.383 2.925 10 5 EFBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(C)on1 ZINC000283300099 273698318 /nfs/dbraw/zinc/69/83/18/273698318.db2.gz XLAABOYHSDVRHS-UHFFFAOYSA-N 0 0 342.359 2.806 10 5 EFBERN CC[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CCS1 ZINC000283365061 273706486 /nfs/dbraw/zinc/70/64/86/273706486.db2.gz CAZRMCSQXZWNGL-CYBMUJFWSA-N 0 0 333.417 2.722 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H](OC)c2ccccc2)c1[N+](=O)[O-] ZINC000283687194 273745907 /nfs/dbraw/zinc/74/59/07/273745907.db2.gz YKGVIHQOHZYZBQ-CQSZACIVSA-N 0 0 345.355 2.884 10 5 EFBERN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(N(C)C)no1 ZINC000284153391 273803812 /nfs/dbraw/zinc/80/38/12/273803812.db2.gz ZDSSLAYWFAEKOC-UHFFFAOYSA-N 0 0 327.138 2.782 10 5 EFBERN COC[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC(C)(C)O1 ZINC000284429608 273837498 /nfs/dbraw/zinc/83/74/98/273837498.db2.gz CZDRWHPYQAEBSJ-AWEZNQCLSA-N 0 0 331.372 2.773 10 5 EFBERN CCNC(=O)C[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285143524 273949217 /nfs/dbraw/zinc/94/92/17/273949217.db2.gz KNYITGOMGGDJTE-ZDUSSCGKSA-N 0 0 348.403 2.816 10 5 EFBERN COC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC(C)(C)O1 ZINC000285168464 273954032 /nfs/dbraw/zinc/95/40/32/273954032.db2.gz UVBNKGKPFCUIHQ-NSHDSACASA-N 0 0 346.330 2.826 10 5 EFBERN CCc1ccc(C(=O)N2CC=C(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000285659172 274047310 /nfs/dbraw/zinc/04/73/10/274047310.db2.gz JUYJPIKPUDQATB-UHFFFAOYSA-N 0 0 340.383 2.820 10 5 EFBERN Cn1nccc1C1=CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285699448 274055998 /nfs/dbraw/zinc/05/59/98/274055998.db2.gz SIAQUFDJKLOGTH-UHFFFAOYSA-N 0 0 334.326 2.896 10 5 EFBERN CO[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000285955698 274106598 /nfs/dbraw/zinc/10/65/98/274106598.db2.gz JCFCWHYLNKEQDF-KLPPZKSPSA-N 0 0 343.177 2.607 10 5 EFBERN CCOCCC1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286125570 274138551 /nfs/dbraw/zinc/13/85/51/274138551.db2.gz HABOSTNRCAULDT-UHFFFAOYSA-N 0 0 332.360 2.862 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCOC[C@@H]1CC(F)F ZINC000286148087 274142942 /nfs/dbraw/zinc/14/29/42/274142942.db2.gz AWQCQBKRRIOYJN-VIFPVBQESA-N 0 0 334.706 2.744 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286275563 274167550 /nfs/dbraw/zinc/16/75/50/274167550.db2.gz NYPDHVPJELEYCY-GXFFZTMASA-N 0 0 346.305 2.536 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286275571 274167734 /nfs/dbraw/zinc/16/77/34/274167734.db2.gz NYPDHVPJELEYCY-ZWNOBZJWSA-N 0 0 346.305 2.536 10 5 EFBERN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000286324940 274178425 /nfs/dbraw/zinc/17/84/25/274178425.db2.gz ACSAOGYDTJWXOF-XJKSGUPXSA-N 0 0 328.372 2.791 10 5 EFBERN CCOc1cc(CN2CCOC[C@H]2CC(F)F)ccc1[N+](=O)[O-] ZINC000286336770 274180817 /nfs/dbraw/zinc/18/08/17/274180817.db2.gz GEZQBEXXBDFXCA-GFCCVEGCSA-N 0 0 330.331 2.850 10 5 EFBERN CC[C@H](CSC)N(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286441832 274202058 /nfs/dbraw/zinc/20/20/58/274202058.db2.gz ISXCTHPYFWLMIX-SNVBAGLBSA-N 0 0 327.406 2.663 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000286504180 274214646 /nfs/dbraw/zinc/21/46/46/274214646.db2.gz QODUUJZDFOVBBG-ZDUSSCGKSA-N 0 0 349.387 2.846 10 5 EFBERN COC(=O)/C=C/c1ccc(NC[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286520825 274217819 /nfs/dbraw/zinc/21/78/19/274217819.db2.gz XTBPDTSJBTVWIF-JRCXTIHVSA-N 0 0 334.372 2.866 10 5 EFBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCCCO ZINC000286521961 274218115 /nfs/dbraw/zinc/21/81/15/274218115.db2.gz PDOUPLKUQDKCGI-UHFFFAOYSA-N 0 0 345.193 2.510 10 5 EFBERN CC(C)(C)[C@@H](O)C[C@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000286550613 274223183 /nfs/dbraw/zinc/22/31/83/274223183.db2.gz UGFFGCYXXGKJDK-BZNIZROVSA-N 0 0 333.388 2.713 10 5 EFBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CCN1CC(F)F ZINC000286555015 274224027 /nfs/dbraw/zinc/22/40/27/274224027.db2.gz QLCHYYNZTOTUBK-GFCCVEGCSA-N 0 0 341.358 2.963 10 5 EFBERN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000286567049 274226448 /nfs/dbraw/zinc/22/64/48/274226448.db2.gz PKBQGDLLGDDDKW-NSHDSACASA-N 0 0 338.307 2.584 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCCOC3)C2)c(C(F)(F)F)c1 ZINC000286567561 274226610 /nfs/dbraw/zinc/22/66/10/274226610.db2.gz LGFBRNSMJAADOZ-CQSZACIVSA-N 0 0 346.305 2.999 10 5 EFBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(C)=O)CCN1CC(F)F ZINC000286572226 274227549 /nfs/dbraw/zinc/22/75/49/274227549.db2.gz RRTULHNUAJLKKF-GFCCVEGCSA-N 0 0 341.358 2.963 10 5 EFBERN CCC(=O)c1ccc(N2CCO[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000286586701 274230570 /nfs/dbraw/zinc/23/05/70/274230570.db2.gz NQHZAZZSVHPVJE-KRWDZBQOSA-N 0 0 334.372 2.573 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1CC(F)F ZINC000286914168 274299456 /nfs/dbraw/zinc/29/94/56/274299456.db2.gz KJCKTBAVDAJOHU-LLVKDONJSA-N 0 0 329.303 2.791 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000286934635 274304269 /nfs/dbraw/zinc/30/42/69/274304269.db2.gz DLYHEOLFTCGFRB-CYBMUJFWSA-N 0 0 325.328 2.777 10 5 EFBERN COCCC(C)(C)CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287083100 274337717 /nfs/dbraw/zinc/33/77/17/274337717.db2.gz YHVLDOSWGJUNJN-UHFFFAOYSA-N 0 0 325.365 2.559 10 5 EFBERN Cc1ccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000287193388 274364585 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O=C(NCc1ccn(C2CCCC2)n1)NCc1cccc([N+](=O)[O-])c1 ZINC000134054141 293276377 /nfs/dbraw/zinc/27/63/77/293276377.db2.gz UOWNDQKYVYBNKW-UHFFFAOYSA-N 0 0 343.387 2.906 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-n2cccn2)n1 ZINC000134449985 293290277 /nfs/dbraw/zinc/29/02/77/293290277.db2.gz VLRQIRAYGXNOQO-LBPRGKRZSA-N 0 0 349.350 2.767 10 5 EFBERN Cc1ncc(Cl)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)n1 ZINC000151651275 293296200 /nfs/dbraw/zinc/29/62/00/293296200.db2.gz WYUNEJGCEKUKGG-MRVPVSSYSA-N 0 0 332.747 2.938 10 5 EFBERN CCC[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000151756362 293300545 /nfs/dbraw/zinc/30/05/45/293300545.db2.gz DYVUGHCMFGQHEY-HNNXBMFYSA-N 0 0 337.424 2.840 10 5 EFBERN CCC(CC)N(CCOC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151861128 293306099 /nfs/dbraw/zinc/30/60/99/293306099.db2.gz CZPFPQABSRCGIO-UHFFFAOYSA-N 0 0 344.433 2.562 10 5 EFBERN COCc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000373362418 293308210 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Cc1nc([C@H]2CCCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)no1 ZINC000369278166 293381268 /nfs/dbraw/zinc/38/12/68/293381268.db2.gz HJNUECKFLZXZDQ-OAHLLOKOSA-N 0 0 344.371 2.973 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1OC[C@H](O)COc1ccc(C)cc1 ZINC000153864751 293397671 /nfs/dbraw/zinc/39/76/71/293397671.db2.gz SQXDRPRZIQURHM-CQSZACIVSA-N 0 0 333.340 2.731 10 5 EFBERN CC[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153995993 293404161 /nfs/dbraw/zinc/40/41/61/293404161.db2.gz CCDYLIYMRBLOTE-ZDUSSCGKSA-N 0 0 326.418 2.937 10 5 EFBERN CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000354577898 293429339 /nfs/dbraw/zinc/42/93/39/293429339.db2.gz PPKFQJZMWGQWPF-ZDUSSCGKSA-N 0 0 344.433 2.646 10 5 EFBERN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000154699405 293437415 /nfs/dbraw/zinc/43/74/15/293437415.db2.gz KMOATTYPERMHCO-LBPRGKRZSA-N 0 0 326.418 2.983 10 5 EFBERN CCc1cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000155105904 293455330 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CC[C@H](NC(=O)NC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247067171 293709135 /nfs/dbraw/zinc/70/91/35/293709135.db2.gz OJIHRVHAWGDYSZ-CWRNSKLLSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1nn(CC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c(C)c1[N+](=O)[O-] ZINC000012615848 293799220 /nfs/dbraw/zinc/79/92/20/293799220.db2.gz QBGAGDGKUNALNM-MRVPVSSYSA-N 0 0 349.416 2.628 10 5 EFBERN O=C(NC/C=C\c1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000255905654 293892991 /nfs/dbraw/zinc/89/29/91/293892991.db2.gz PMUFYDHJXYMBNR-YVMONPNESA-N 0 0 349.350 2.619 10 5 EFBERN COC(=O)[C@@H](CF)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000290193879 294023562 /nfs/dbraw/zinc/02/35/62/294023562.db2.gz OYWDQKPEHXEYBP-GFCCVEGCSA-N 0 0 338.360 2.924 10 5 EFBERN Cc1sc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000290617944 294137527 /nfs/dbraw/zinc/13/75/27/294137527.db2.gz LOPWVDOCAISCCC-NSHDSACASA-N 0 0 336.344 2.837 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000290623518 294138917 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CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000301261153 311127848 /nfs/dbraw/zinc/12/78/48/311127848.db2.gz CZLVRMGKPZFYNI-MRXNPFEDSA-N 0 0 329.331 2.976 10 5 EFBERN C[C@H]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000301267910 311128077 /nfs/dbraw/zinc/12/80/77/311128077.db2.gz HAWHIXRLZYEROW-NWDGAFQWSA-N 0 0 341.433 2.871 10 5 EFBERN CCS[C@H]1CCCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301273436 311128456 /nfs/dbraw/zinc/12/84/56/311128456.db2.gz YDLKCVBPONOBAH-LBPRGKRZSA-N 0 0 348.428 2.715 10 5 EFBERN Cc1ccnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000301278874 311128497 /nfs/dbraw/zinc/12/84/97/311128497.db2.gz JOCBOUZIVCTERC-ZDUSSCGKSA-N 0 0 334.420 2.675 10 5 EFBERN COc1cc(F)ccc1N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000301302190 311130010 /nfs/dbraw/zinc/13/00/10/311130010.db2.gz RUIMMJFXHKZJEB-UHFFFAOYSA-N 0 0 346.362 2.773 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2COc3ccccc3O2)c1 ZINC000301376622 311134404 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C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@H]1c1ccccc1 ZINC000301451084 311138110 /nfs/dbraw/zinc/13/81/10/311138110.db2.gz LNHIJQOSWBXJOP-SWLSCSKDSA-N 0 0 340.383 2.719 10 5 EFBERN CC[C@@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000301462421 311138621 /nfs/dbraw/zinc/13/86/21/311138621.db2.gz JLEJDHLSWHMHCC-CYBMUJFWSA-N 0 0 345.403 2.868 10 5 EFBERN COC(=O)c1cc(N2CCO[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000301535461 311143227 /nfs/dbraw/zinc/14/32/27/311143227.db2.gz AEYZZPUBBDRFHY-OAHLLOKOSA-N 0 0 332.312 2.552 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1C[C@@H]2CCCC[C@H]2C1 ZINC000301540691 311143471 /nfs/dbraw/zinc/14/34/71/311143471.db2.gz JUNMRMJINSQOFD-QWRGUYRKSA-N 0 0 349.343 2.916 10 5 EFBERN COC(=O)c1cc(NCc2ccc(OC)nc2)cc(C)c1[N+](=O)[O-] ZINC000301585340 311146195 /nfs/dbraw/zinc/14/61/95/311146195.db2.gz VDDFBYBUHIDYON-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN CCOc1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000301592976 311146705 /nfs/dbraw/zinc/14/67/05/311146705.db2.gz RAYLMMDBOBBAKW-AWEZNQCLSA-N 0 0 345.403 2.808 10 5 EFBERN CNC(=O)c1cccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000301619555 311147831 /nfs/dbraw/zinc/14/78/31/311147831.db2.gz LWQQDDVSLGWWRB-UHFFFAOYSA-N 0 0 333.319 2.714 10 5 EFBERN COc1ccccc1N1CC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000301620541 311148258 /nfs/dbraw/zinc/14/82/58/311148258.db2.gz XRJLTPFIKDRBAB-ZDUSSCGKSA-N 0 0 328.372 2.998 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C12CCC2 ZINC000301628616 311148509 /nfs/dbraw/zinc/14/85/09/311148509.db2.gz AOOZXIWOVIVBEA-HUUCEWRRSA-N 0 0 347.371 2.685 10 5 EFBERN Cc1nc(N(C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000301633371 311148949 /nfs/dbraw/zinc/14/89/49/311148949.db2.gz DIJXLGRRVIAFON-HNNXBMFYSA-N 0 0 326.356 2.540 10 5 EFBERN CNC(=O)c1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000301637112 311149228 /nfs/dbraw/zinc/14/92/28/311149228.db2.gz XARYUIWLLFCQBS-UHFFFAOYSA-N 0 0 333.319 2.714 10 5 EFBERN COc1cc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000301643666 311149391 /nfs/dbraw/zinc/14/93/91/311149391.db2.gz ZZGWTNWCOCOMDF-SNVBAGLBSA-N 0 0 334.303 2.994 10 5 EFBERN Cc1cc(N2CCOC[C@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000301646791 311149820 /nfs/dbraw/zinc/14/98/20/311149820.db2.gz DPUBOZVCIKQKMV-GDBMZVCRSA-N 0 0 332.356 2.825 10 5 EFBERN Nc1nc(NC[C@@H]2C[C@@]23CCCc2ccccc23)ncc1[N+](=O)[O-] ZINC000301669959 311151228 /nfs/dbraw/zinc/15/12/28/311151228.db2.gz YJHSTNIZBACWKC-SJCJKPOMSA-N 0 0 325.372 2.673 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[C@H]2O)cc1Cl ZINC000301670346 311151429 /nfs/dbraw/zinc/15/14/29/311151429.db2.gz NSCDSUVUCZUIEL-ISVAXAHUSA-N 0 0 328.752 2.608 10 5 EFBERN CCOc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301680574 311151984 /nfs/dbraw/zinc/15/19/84/311151984.db2.gz JIZNPKMSVJAEPA-UHFFFAOYSA-N 0 0 343.339 2.937 10 5 EFBERN COc1cc(N2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])cc1F ZINC000301715304 311154372 /nfs/dbraw/zinc/15/43/72/311154372.db2.gz MPASHSPIIKSICL-LBPRGKRZSA-N 0 0 348.378 2.935 10 5 EFBERN Cc1cc(N2CCC[C@@H]([C@@H](C)O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301753873 311156839 /nfs/dbraw/zinc/15/68/39/311156839.db2.gz CCOGPUFCLYUQOC-UKRRQHHQSA-N 0 0 342.399 2.957 10 5 EFBERN CCOC(=O)[C@]1(C)CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301798213 311158864 /nfs/dbraw/zinc/15/88/64/311158864.db2.gz ZKBJQCHPJAAJGV-OAHLLOKOSA-N 0 0 326.324 2.522 10 5 EFBERN CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000301813951 311159963 /nfs/dbraw/zinc/15/99/63/311159963.db2.gz FZAGWZZMQCOPEU-INIZCTEOSA-N 0 0 331.347 2.845 10 5 EFBERN Cc1ccc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)c([N+](=O)[O-])c1 ZINC000301837909 311161702 /nfs/dbraw/zinc/16/17/02/311161702.db2.gz YNSTWJGDKJKTLT-ZDUSSCGKSA-N 0 0 331.347 2.798 10 5 EFBERN Cc1ccc(NC2CCC(N3C(=O)CCC3=O)CC2)c([N+](=O)[O-])c1 ZINC000301845740 311162149 /nfs/dbraw/zinc/16/21/49/311162149.db2.gz MIIJGMFKUMVYBC-UHFFFAOYSA-N 0 0 331.372 2.775 10 5 EFBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000301848072 311162292 /nfs/dbraw/zinc/16/22/92/311162292.db2.gz NWBGFEFNKDSHHT-XOKHGSTOSA-N 0 0 334.372 2.570 10 5 EFBERN CCN(CCNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(C)c1 ZINC000301865047 311163540 /nfs/dbraw/zinc/16/35/40/311163540.db2.gz BIGWGWPNZNQLQM-UHFFFAOYSA-N 0 0 340.387 2.884 10 5 EFBERN Cc1nn(C)c(NCc2cccc(-c3cnn(C)c3)c2)c1[N+](=O)[O-] ZINC000301883155 311164558 /nfs/dbraw/zinc/16/45/58/311164558.db2.gz NGJLQTSSLBWDNR-UHFFFAOYSA-N 0 0 326.360 2.649 10 5 EFBERN NC(=O)C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301881875 311164704 /nfs/dbraw/zinc/16/47/04/311164704.db2.gz WKQFCYUOAAUTMN-SNVBAGLBSA-N 0 0 331.294 2.848 10 5 EFBERN CS(=O)(=O)c1cccc(Oc2ccc(Cl)nc2)c1[N+](=O)[O-] ZINC000301899000 311165840 /nfs/dbraw/zinc/16/58/40/311165840.db2.gz SPZJQQCVEODGFX-UHFFFAOYSA-N 0 0 328.733 2.839 10 5 EFBERN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](c2ccsc2)O1 ZINC000301924272 311167232 /nfs/dbraw/zinc/16/72/32/311167232.db2.gz GMPKAEBOQPLUAC-PWSUYJOCSA-N 0 0 345.384 2.665 10 5 EFBERN COc1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)c(F)cc1[N+](=O)[O-] ZINC000301941185 311168061 /nfs/dbraw/zinc/16/80/61/311168061.db2.gz WMRNOBNWPDHJJX-NSHDSACASA-N 0 0 349.366 2.557 10 5 EFBERN COc1ccc(Cl)cc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301946681 311168287 /nfs/dbraw/zinc/16/82/87/311168287.db2.gz XQQSJTOKJCCROS-UHFFFAOYSA-N 0 0 333.735 2.912 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3cccc(OCC(F)F)c3)nn21 ZINC000301959251 311168819 /nfs/dbraw/zinc/16/88/19/311168819.db2.gz GVAAWLQUGLGHCR-UHFFFAOYSA-N 0 0 349.297 2.894 10 5 EFBERN C[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000301957884 311168821 /nfs/dbraw/zinc/16/88/21/311168821.db2.gz NJPPBPVBDYBASA-WRWORJQWSA-N 0 0 349.265 2.729 10 5 EFBERN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccc(F)cc1 ZINC000301959319 311168867 /nfs/dbraw/zinc/16/88/67/311168867.db2.gz GWHWZSJSPGWMCQ-SNVBAGLBSA-N 0 0 331.307 2.656 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCC(OC4CCCCC4)CC3)nn21 ZINC000301964785 311168929 /nfs/dbraw/zinc/16/89/29/311168929.db2.gz JVVBJDNUZFSTRS-UHFFFAOYSA-N 0 0 345.403 2.956 10 5 EFBERN COc1ccccc1[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301963398 311168935 /nfs/dbraw/zinc/16/89/35/311168935.db2.gz IZCNTBUTHDUONS-GFCCVEGCSA-N 0 0 339.355 2.640 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCCc3nc4ccccc4[nH]3)nn21 ZINC000301996834 311170980 /nfs/dbraw/zinc/17/09/80/311170980.db2.gz OVRCOPMWTPIHBJ-UHFFFAOYSA-N 0 0 337.343 2.559 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C12CCCC2 ZINC000301996257 311171070 /nfs/dbraw/zinc/17/10/70/311171070.db2.gz OMZUOTNOITUOKN-NWDGAFQWSA-N 0 0 331.376 2.787 10 5 EFBERN CN(Cc1cc(F)c(F)c(F)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302013346 311171945 /nfs/dbraw/zinc/17/19/45/311171945.db2.gz BDRCRKWTRUZWNV-UHFFFAOYSA-N 0 0 337.261 2.691 10 5 EFBERN COC(=O)c1cc(N(C)C[C@H]2CCCC[C@H]2O)cc(C)c1[N+](=O)[O-] ZINC000302035995 311173757 /nfs/dbraw/zinc/17/37/57/311173757.db2.gz JWZIUPJQINOGPB-IUODEOHRSA-N 0 0 336.388 2.677 10 5 EFBERN COC(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2C)nc1C1CC1 ZINC000302039462 311173990 /nfs/dbraw/zinc/17/39/90/311173990.db2.gz QVCIQQVDMOMFQA-UHFFFAOYSA-N 0 0 342.355 2.969 10 5 EFBERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302041075 311174289 /nfs/dbraw/zinc/17/42/89/311174289.db2.gz NPQNTASWLRXODC-IFMYKAFSSA-N 0 0 326.418 2.579 10 5 EFBERN COc1ccccc1N1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302075147 311176745 /nfs/dbraw/zinc/17/67/45/311176745.db2.gz XPOPXKBMRXLUQN-AWEZNQCLSA-N 0 0 343.383 2.787 10 5 EFBERN CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302152883 311181069 /nfs/dbraw/zinc/18/10/69/311181069.db2.gz LGNPHEMVQAFEHX-UHFFFAOYSA-N 0 0 343.330 2.549 10 5 EFBERN C[C@@H](c1ccccc1Cl)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302158692 311181603 /nfs/dbraw/zinc/18/16/03/311181603.db2.gz NZNXJJSJFXYRIB-LBPRGKRZSA-N 0 0 347.806 2.921 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(-n3ccnn3)c2)c1 ZINC000302166586 311182073 /nfs/dbraw/zinc/18/20/73/311182073.db2.gz RQCKJVTXAYTHFI-UHFFFAOYSA-N 0 0 340.295 2.754 10 5 EFBERN CCC1(CC)CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC[S@]1=O ZINC000302207221 311184673 /nfs/dbraw/zinc/18/46/73/311184673.db2.gz ACSMQXQOUBXFAY-HSZRJFAPSA-N 0 0 338.429 2.925 10 5 EFBERN COC(=O)c1ccc(F)c(CNc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000302211204 311185013 /nfs/dbraw/zinc/18/50/13/311185013.db2.gz YPCKHIXOKQCELA-UHFFFAOYSA-N 0 0 334.303 2.625 10 5 EFBERN O=C(NC1CC1)c1ccc(N[C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000302234387 311186517 /nfs/dbraw/zinc/18/65/17/311186517.db2.gz DIZAILZSPNWXIP-AWEZNQCLSA-N 0 0 347.396 2.694 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCSC3(CCOCC3)C2)c1 ZINC000302246894 311187193 /nfs/dbraw/zinc/18/71/93/311187193.db2.gz KYVJREFVRROFOU-UHFFFAOYSA-N 0 0 342.392 2.845 10 5 EFBERN Cc1cc(NCC2(CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302426090 311189630 /nfs/dbraw/zinc/18/96/30/311189630.db2.gz KBKTYTNRIMIHOH-UHFFFAOYSA-N 0 0 328.372 2.935 10 5 EFBERN NC(=O)c1coc(CNc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000302462970 311190541 /nfs/dbraw/zinc/19/05/41/311190541.db2.gz UUSPGOYWEXBDEL-UHFFFAOYSA-N 0 0 340.133 2.661 10 5 EFBERN Cc1cccc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1[N+](=O)[O-] ZINC000302509496 311192103 /nfs/dbraw/zinc/19/21/03/311192103.db2.gz RXFQCSFKLMXRGC-ZDUSSCGKSA-N 0 0 331.347 2.798 10 5 EFBERN CNC(=O)c1ccc(Oc2ccc3c(c2)CCC3=O)c([N+](=O)[O-])c1 ZINC000302525258 311192604 /nfs/dbraw/zinc/19/26/04/311192604.db2.gz JXWORHFDLUAWKW-UHFFFAOYSA-N 0 0 326.308 2.876 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H]1c1ccccc1 ZINC000302628657 311194514 /nfs/dbraw/zinc/19/45/14/311194514.db2.gz IRKHOKUKKPWQFS-ZFWWWQNUSA-N 0 0 332.381 2.966 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3cc(-c4ccccc4)on3)nn21 ZINC000302636192 311195051 /nfs/dbraw/zinc/19/50/51/311195051.db2.gz HLIMIJNYYFPBCM-UHFFFAOYSA-N 0 0 336.311 2.905 10 5 EFBERN COC(=O)c1cnc(NCCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000302669870 311196182 /nfs/dbraw/zinc/19/61/82/311196182.db2.gz DGZWNHJEPDRUMZ-UHFFFAOYSA-N 0 0 337.282 2.709 10 5 EFBERN CC[C@H]1CN(c2c(C)cc([N+](=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000302688716 311196561 /nfs/dbraw/zinc/19/65/61/311196561.db2.gz RCGGTLPKMPCNKY-STQMWFEESA-N 0 0 341.839 2.838 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302696434 311196846 /nfs/dbraw/zinc/19/68/46/311196846.db2.gz SXHXIXPIFHIZIS-UTLUCORTSA-N 0 0 332.447 2.931 10 5 EFBERN C[C@@](O)(CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CCCCC1 ZINC000302727052 311198257 /nfs/dbraw/zinc/19/82/57/311198257.db2.gz PSIIQJFGCKVHBG-QGZVFWFLSA-N 0 0 349.387 2.669 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1NCCCc1cc[nH]n1 ZINC000302746332 311198969 /nfs/dbraw/zinc/19/89/69/311198969.db2.gz FJVYIOXQPVTWRL-UHFFFAOYSA-N 0 0 326.154 2.520 10 5 EFBERN CCO[C@@H]1C[C@](O)(CNc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000302744359 311199087 /nfs/dbraw/zinc/19/90/87/311199087.db2.gz FABOZJBTSXJVCJ-ZBFHGGJFSA-N 0 0 342.367 2.721 10 5 EFBERN CN(C)c1noc(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000302765732 311199774 /nfs/dbraw/zinc/19/97/74/311199774.db2.gz ACWJTNFEGNJUNA-UHFFFAOYSA-N 0 0 335.339 2.567 10 5 EFBERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000302771150 311200353 /nfs/dbraw/zinc/20/03/53/311200353.db2.gz MYUHKIPXEOXOQP-FWDPORAESA-N 0 0 326.299 2.651 10 5 EFBERN O=C(NCc1ccco1)[C@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000302793852 311201644 /nfs/dbraw/zinc/20/16/44/311201644.db2.gz HSBWMXPSXONIHZ-CQSZACIVSA-N 0 0 333.319 2.612 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000302808328 311202372 /nfs/dbraw/zinc/20/23/72/311202372.db2.gz GJJBAPIKIHSFOH-YPMHNXCESA-N 0 0 341.795 2.604 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(Cc2nccn2C)CC1 ZINC000302835178 311203672 /nfs/dbraw/zinc/20/36/72/311203672.db2.gz UVCFXOKKDOKPLZ-UHFFFAOYSA-N 0 0 349.822 2.612 10 5 EFBERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000303799868 311210439 /nfs/dbraw/zinc/21/04/39/311210439.db2.gz LLOCCUZZCMZVRG-ZDUSSCGKSA-N 0 0 334.397 2.985 10 5 EFBERN C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000310861644 311229959 /nfs/dbraw/zinc/22/99/59/311229959.db2.gz CSXSHPOCHWSJGY-ZDUSSCGKSA-N 0 0 343.383 2.551 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000320026040 311237303 /nfs/dbraw/zinc/23/73/03/311237303.db2.gz HJNSZORMAJNPOV-VWYCJHECSA-N 0 0 330.381 2.789 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C(C)C)C(C)C ZINC000322534670 311239389 /nfs/dbraw/zinc/23/93/89/311239389.db2.gz RAWQVWGCXBFBIB-UHFFFAOYSA-N 0 0 344.433 2.810 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000330704769 311329782 /nfs/dbraw/zinc/32/97/82/311329782.db2.gz MUSNZMCWSVGCKR-SMDDNHRTSA-N 0 0 338.429 2.938 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000330779164 311334131 /nfs/dbraw/zinc/33/41/31/311334131.db2.gz MFNZWHYBHFGRIA-FZMZJTMJSA-N 0 0 338.429 2.940 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000330779165 311334151 /nfs/dbraw/zinc/33/41/51/311334151.db2.gz MFNZWHYBHFGRIA-RISCZKNCSA-N 0 0 338.429 2.940 10 5 EFBERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330774492 311334287 /nfs/dbraw/zinc/33/42/87/311334287.db2.gz YDURHHDMAIAOGB-CYBMUJFWSA-N 0 0 347.415 2.608 10 5 EFBERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330863272 311339683 /nfs/dbraw/zinc/33/96/83/311339683.db2.gz MTJCWNDXWCDHPA-FZKQIMNGSA-N 0 0 334.416 2.831 10 5 EFBERN CCN(CC)C(=O)C1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000330903392 311342788 /nfs/dbraw/zinc/34/27/88/311342788.db2.gz QFDGKVVYJFHIAM-UHFFFAOYSA-N 0 0 347.415 2.624 10 5 EFBERN COc1cc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000330924830 311344011 /nfs/dbraw/zinc/34/40/11/311344011.db2.gz UYNUATXEVGARCJ-SWLSCSKDSA-N 0 0 340.395 2.971 10 5 EFBERN COc1cc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000330924829 311344189 /nfs/dbraw/zinc/34/41/89/311344189.db2.gz UYNUATXEVGARCJ-IUODEOHRSA-N 0 0 340.395 2.971 10 5 EFBERN CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2F)CC[S@@]1=O ZINC000330940864 311344902 /nfs/dbraw/zinc/34/49/02/311344902.db2.gz CQEQGWIEHWQOJM-QFIPXVFZSA-N 0 0 328.409 2.857 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000331032857 311350058 /nfs/dbraw/zinc/35/00/58/311350058.db2.gz VZJKCEVXQWYVRE-MCIONIFRSA-N 0 0 340.445 2.834 10 5 EFBERN CC(C)(C)[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000331126575 311356153 /nfs/dbraw/zinc/35/61/53/311356153.db2.gz RIIGHZUCKSFECA-CQSZACIVSA-N 0 0 342.342 2.689 10 5 EFBERN C[C@H](O)C[C@@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331147755 311357228 /nfs/dbraw/zinc/35/72/28/311357228.db2.gz YVDCGNJJSINZAN-QWRGUYRKSA-N 0 0 342.342 2.568 10 5 EFBERN Cc1c(CC(=O)NC[C@@]2(O)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000331251691 311363046 /nfs/dbraw/zinc/36/30/46/311363046.db2.gz PPXKJWYBCKFTJE-GOSISDBHSA-N 0 0 334.416 2.893 10 5 EFBERN C[C@@H]1COCC[C@H]1c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000350586502 311810238 /nfs/dbraw/zinc/81/02/38/311810238.db2.gz FIWSFDUNIGHJBJ-PSASIEDQSA-N 0 0 329.316 2.661 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H](C)Oc2ccccc2)no1 ZINC000350645719 311814909 /nfs/dbraw/zinc/81/49/09/311814909.db2.gz MDCRRHUUWHXYBW-LLVKDONJSA-N 0 0 343.343 2.865 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4cnc5cnccn54)no3)c2c1 ZINC000350858432 311829638 /nfs/dbraw/zinc/82/96/38/311829638.db2.gz ZNAILBOJHMMRFS-UHFFFAOYSA-N 0 0 347.294 2.836 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000350903256 311832504 /nfs/dbraw/zinc/83/25/04/311832504.db2.gz IDUNNAUCGIZYIR-BDAKNGLRSA-N 0 0 347.281 2.928 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C2(c3ccc(F)cc3)CC2)n1 ZINC000350902308 311832548 /nfs/dbraw/zinc/83/25/48/311832548.db2.gz FQLLZTJZNVPVPK-UHFFFAOYSA-N 0 0 329.291 2.597 10 5 EFBERN CCOC(=O)c1cc(-c2nc(-c3cncs3)no2)cc([N+](=O)[O-])c1 ZINC000350908596 311833148 /nfs/dbraw/zinc/83/31/48/311833148.db2.gz UDDODMHCDUYUBI-UHFFFAOYSA-N 0 0 346.324 2.945 10 5 EFBERN Cn1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)ccc1=O ZINC000350917244 311834203 /nfs/dbraw/zinc/83/42/03/311834203.db2.gz UQJJENWWAHCGEW-UHFFFAOYSA-N 0 0 332.703 2.664 10 5 EFBERN C[C@@](O)(Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)C1CC1 ZINC000351149822 311858573 /nfs/dbraw/zinc/85/85/73/311858573.db2.gz GNCSMVCMXLVTPB-QGZVFWFLSA-N 0 0 344.371 2.706 10 5 EFBERN CCO[C@H]1C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000351167383 311860474 /nfs/dbraw/zinc/86/04/74/311860474.db2.gz VZCVHJZTJFWDOG-AAEUAGOBSA-N 0 0 330.344 2.895 10 5 EFBERN C[C@@H](c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000351211511 311865969 /nfs/dbraw/zinc/86/59/69/311865969.db2.gz HVYGGGGKHJVXEK-LLVKDONJSA-N 0 0 344.371 2.740 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H](O)Cc1ccccc1 ZINC000362490587 311927531 /nfs/dbraw/zinc/92/75/31/311927531.db2.gz ADQMYFUEOIJPAK-MRXNPFEDSA-N 0 0 328.368 2.547 10 5 EFBERN CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000372085753 311941091 /nfs/dbraw/zinc/94/10/91/311941091.db2.gz OLPKQLSCEONBDZ-CYBMUJFWSA-N 0 0 346.362 2.799 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C)=C[C@H](C)C1 ZINC000411493078 311978036 /nfs/dbraw/zinc/97/80/36/311978036.db2.gz XWLMEAYIRPIVNT-JTQLQIEISA-N 0 0 331.372 2.575 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000412940227 312039803 /nfs/dbraw/zinc/03/98/03/312039803.db2.gz DNXBMURPHLYUKX-HNNXBMFYSA-N 0 0 343.358 2.672 10 5 EFBERN CC[C@H](NC(=O)[C@H](CC)N1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000415291969 312125798 /nfs/dbraw/zinc/12/57/98/312125798.db2.gz GSTQGJUGFLTNHP-GJZGRUSLSA-N 0 0 333.388 2.563 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000415465896 312142025 /nfs/dbraw/zinc/14/20/25/312142025.db2.gz STXVUSFLOZDXOY-WDEREUQCSA-N 0 0 343.339 2.671 10 5 EFBERN CCOC(=O)CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000415464437 312142075 /nfs/dbraw/zinc/14/20/75/312142075.db2.gz CSCTTZQECVJNKA-LSDHHAIUSA-N 0 0 348.399 2.889 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC(F)(F)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416483923 312191883 /nfs/dbraw/zinc/19/18/83/312191883.db2.gz OYJUBLQNYSEWDO-NSHDSACASA-N 0 0 348.371 2.877 10 5 EFBERN C[C@H]1CC(C)(C)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000416614159 312193443 /nfs/dbraw/zinc/19/34/43/312193443.db2.gz HLDOGHZHXCFCGI-LBPRGKRZSA-N 0 0 326.418 2.588 10 5 EFBERN CN(C)C(=O)c1ccccc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000417768143 312268500 /nfs/dbraw/zinc/26/85/00/312268500.db2.gz ABFYAAYKFIMCIW-UHFFFAOYSA-N 0 0 339.395 2.855 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(C3(c4ccccc4F)CC3)no2)n1 ZINC000420519500 312372400 /nfs/dbraw/zinc/37/24/00/312372400.db2.gz LESCPBGMWCYALW-UHFFFAOYSA-N 0 0 329.291 2.597 10 5 EFBERN CC[C@@H]1C[C@H](Nc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CCO1 ZINC000420640642 312377725 /nfs/dbraw/zinc/37/77/25/312377725.db2.gz QYNBJZCWDYJIGP-VXGBXAGGSA-N 0 0 331.372 2.943 10 5 EFBERN Cc1cc(N2CC[C@@]23CCOC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420638144 312377873 /nfs/dbraw/zinc/37/78/73/312377873.db2.gz JEKSFNFNQJASED-KRWDZBQOSA-N 0 0 326.356 2.729 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CC34CCSCC4)c21 ZINC000420649553 312378908 /nfs/dbraw/zinc/37/89/08/312378908.db2.gz GJMXFKQPZWTDLI-NSHDSACASA-N 0 0 330.413 2.905 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC12CCSCC2 ZINC000420818601 312396270 /nfs/dbraw/zinc/39/62/70/312396270.db2.gz NEGMJAZQPDDFKK-CQSZACIVSA-N 0 0 349.456 2.970 10 5 EFBERN C[C@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000420824061 312397595 /nfs/dbraw/zinc/39/75/95/312397595.db2.gz QHTNPIWOBHWUGO-SWLSCSKDSA-N 0 0 333.388 2.745 10 5 EFBERN Cc1ccc(NC(=O)c2c[nH]cc2-c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000426581591 312520895 /nfs/dbraw/zinc/52/08/95/312520895.db2.gz RETLVWOARBIODF-UHFFFAOYSA-N 0 0 325.328 2.884 10 5 EFBERN COc1ccc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000426629216 312523112 /nfs/dbraw/zinc/52/31/12/312523112.db2.gz BIHFIMIQFGIJRR-SJKOYZFVSA-N 0 0 336.388 2.974 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2c(F)cccc2F)n1 ZINC000427197157 312537246 /nfs/dbraw/zinc/53/72/46/312537246.db2.gz OVRHJTLFNDVSPF-SECBINFHSA-N 0 0 338.314 2.923 10 5 EFBERN NC(=O)c1ccnc(N2CC[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000432138855 312551493 /nfs/dbraw/zinc/55/14/93/312551493.db2.gz YRJSWNIMDNJBBM-LLVKDONJSA-N 0 0 346.774 2.736 10 5 EFBERN Cc1c(Cl)cccc1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000438976077 312628987 /nfs/dbraw/zinc/62/89/87/312628987.db2.gz RWOPPACDFUGRPL-UHFFFAOYSA-N 0 0 341.776 2.777 10 5 EFBERN COCCOCCCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439106122 312633662 /nfs/dbraw/zinc/63/36/62/312633662.db2.gz HJINKHULBYCRQD-UHFFFAOYSA-N 0 0 344.795 2.730 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cccc(C(=O)NC2CC2)c1 ZINC000439108476 312633925 /nfs/dbraw/zinc/63/39/25/312633925.db2.gz DXELJUAYCPHQRV-UHFFFAOYSA-N 0 0 343.314 2.878 10 5 EFBERN COC(=O)[C@H]1CC[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CC1 ZINC000439112162 312634377 /nfs/dbraw/zinc/63/43/77/312634377.db2.gz YFIAIHDOKIGNNY-JHJVBQTASA-N 0 0 346.383 2.852 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCO[C@H]2CCCCO2)c1 ZINC000439134343 312636027 /nfs/dbraw/zinc/63/60/27/312636027.db2.gz SKQQBFCKAYCTKL-HNNXBMFYSA-N 0 0 338.360 2.727 10 5 EFBERN COc1ccc2c(CC(=O)N(C)c3ccc([N+](=O)[O-])nc3)coc2c1 ZINC000439283321 312637499 /nfs/dbraw/zinc/63/74/99/312637499.db2.gz FDSZLUPWEYAZJG-UHFFFAOYSA-N 0 0 341.323 2.950 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CCC12CCCC2 ZINC000446893172 312658400 /nfs/dbraw/zinc/65/84/00/312658400.db2.gz CUDTXFYSSHFYRR-CQSZACIVSA-N 0 0 343.387 2.993 10 5 EFBERN CN(C[C@@H]1CC=CCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446900440 312659158 /nfs/dbraw/zinc/65/91/58/312659158.db2.gz OTXBHLBAWFFREW-GFCCVEGCSA-N 0 0 343.387 2.969 10 5 EFBERN CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447173958 312671524 /nfs/dbraw/zinc/67/15/24/312671524.db2.gz ZTZLNCMIWDNUST-SNVBAGLBSA-N 0 0 332.809 2.915 10 5 EFBERN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000450474143 312695608 /nfs/dbraw/zinc/69/56/08/312695608.db2.gz JDHGLKGRGRVQPP-UKRRQHHQSA-N 0 0 333.388 2.938 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000450560006 312707842 /nfs/dbraw/zinc/70/78/42/312707842.db2.gz HCORXSAYEYJYBZ-LBPRGKRZSA-N 0 0 332.381 2.886 10 5 EFBERN CCOC1(C)CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000450578594 312712817 /nfs/dbraw/zinc/71/28/17/312712817.db2.gz HYRSTVIRLUMCFV-UHFFFAOYSA-N 0 0 328.372 2.975 10 5 EFBERN CC(C)(C[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1)C(N)=O ZINC000450634085 312726089 /nfs/dbraw/zinc/72/60/89/312726089.db2.gz DIEMRYGSVQLJNX-NSHDSACASA-N 0 0 345.403 2.589 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@H](c3ccnn3C)C2)n1 ZINC000450837411 312755775 /nfs/dbraw/zinc/75/57/75/312755775.db2.gz COOHKFGKDODQOS-JSGCOSHPSA-N 0 0 331.376 2.672 10 5 EFBERN CCCc1ncc(CNc2c(Br)cncc2[N+](=O)[O-])o1 ZINC000450851059 312758311 /nfs/dbraw/zinc/75/83/11/312758311.db2.gz ZTIYOIPCSUHHAD-UHFFFAOYSA-N 0 0 341.165 2.727 10 5 EFBERN Cc1nc(N2CCN(CC(F)(F)F)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000450864462 312761748 /nfs/dbraw/zinc/76/17/48/312761748.db2.gz CNZRDSMYGJYOSR-JTQLQIEISA-N 0 0 332.326 2.619 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000450875049 312765016 /nfs/dbraw/zinc/76/50/16/312765016.db2.gz FDMQKWNNHSKWDZ-GXFFZTMASA-N 0 0 341.289 2.893 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000450878860 312765490 /nfs/dbraw/zinc/76/54/90/312765490.db2.gz JRKSWJGOUFGEMM-NOZJJQNGSA-N 0 0 341.289 2.893 10 5 EFBERN CC(C)(C)c1cc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)no1 ZINC000450889642 312768059 /nfs/dbraw/zinc/76/80/59/312768059.db2.gz DLAIJLPQPYIBSW-UHFFFAOYSA-N 0 0 344.327 2.745 10 5 EFBERN C[C@H](C(=O)C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000450943906 312780405 /nfs/dbraw/zinc/78/04/05/312780405.db2.gz UBRKMWCBOZBPIG-LLVKDONJSA-N 0 0 325.386 2.906 10 5 EFBERN Cn1ccnc1[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000450949902 312781946 /nfs/dbraw/zinc/78/19/46/312781946.db2.gz LLLKYLAPTCREHT-CABZTGNLSA-N 0 0 337.767 2.709 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)c2cccnc2C)c1C ZINC000451067323 312810134 /nfs/dbraw/zinc/81/01/34/312810134.db2.gz OLYWTKCPKVDJLQ-UHFFFAOYSA-N 0 0 335.385 2.740 10 5 EFBERN COC[C@H]1CCN(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451856252 312834697 /nfs/dbraw/zinc/83/46/97/312834697.db2.gz SNQQVULWPBBKMX-HOCLYGCPSA-N 0 0 347.415 2.863 10 5 EFBERN CCn1nncc1CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000453112750 312864685 /nfs/dbraw/zinc/86/46/85/312864685.db2.gz FLHZBEGQVKMOKR-UHFFFAOYSA-N 0 0 340.181 2.889 10 5 EFBERN Cc1c(Cc2noc(-c3cn(CC4CC4)nn3)n2)cccc1[N+](=O)[O-] ZINC000453126595 312866705 /nfs/dbraw/zinc/86/67/05/312866705.db2.gz ANRKHRKBEUFMGW-UHFFFAOYSA-N 0 0 340.343 2.546 10 5 EFBERN CC(C)[C@H]1C[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])CCO1 ZINC000454283164 312934910 /nfs/dbraw/zinc/93/49/10/312934910.db2.gz VVGIZWJBWQJXEB-XJKSGUPXSA-N 0 0 335.404 2.845 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CF)CCOCC1 ZINC000456041220 313016035 /nfs/dbraw/zinc/01/60/35/313016035.db2.gz BUMOCRBKICZXCQ-NSHDSACASA-N 0 0 342.392 2.710 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456081540 313023079 /nfs/dbraw/zinc/02/30/79/313023079.db2.gz AMJHKFMOJUKMKG-BMFZPTHFSA-N 0 0 348.399 2.759 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456097888 313026691 /nfs/dbraw/zinc/02/66/91/313026691.db2.gz JDOALQCOCIGKHL-NUEKZKHPSA-N 0 0 348.399 2.759 10 5 EFBERN COc1c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000456096508 313026715 /nfs/dbraw/zinc/02/67/15/313026715.db2.gz IBTJOGIKTCZXLW-XPKDYRNWSA-N 0 0 348.399 2.759 10 5 EFBERN CCOc1ccc(C(=O)N(C)[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000456107463 313028966 /nfs/dbraw/zinc/02/89/66/313028966.db2.gz USXASLGGRWWPID-MRXNPFEDSA-N 0 0 344.367 2.799 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456115915 313030561 /nfs/dbraw/zinc/03/05/61/313030561.db2.gz RKLVWYMNRIQGBI-GVDBMIGSSA-N 0 0 332.400 2.679 10 5 EFBERN COc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000456123050 313031710 /nfs/dbraw/zinc/03/17/10/313031710.db2.gz VVYMVUULIUNYKQ-NWANDNLSSA-N 0 0 348.399 2.759 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1(CF)CCOCC1 ZINC000456124837 313032602 /nfs/dbraw/zinc/03/26/02/313032602.db2.gz RLQJSTSIKAVPKS-UHFFFAOYSA-N 0 0 344.770 2.673 10 5 EFBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000456126979 313033066 /nfs/dbraw/zinc/03/30/66/313033066.db2.gz NFIKGDALWXNRRN-BDAKNGLRSA-N 0 0 331.294 2.980 10 5 EFBERN CCOc1ccc(C(=O)N2CC(F)(F)C(F)(F)C2)cc1[N+](=O)[O-] ZINC000457929083 313042101 /nfs/dbraw/zinc/04/21/01/313042101.db2.gz BQPKCKPVGZIKEW-UHFFFAOYSA-N 0 0 336.241 2.720 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000458133682 313076623 /nfs/dbraw/zinc/07/66/23/313076623.db2.gz AIWAOJQAFNBDLX-UHFFFAOYSA-N 0 0 328.315 2.914 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)n1 ZINC000458244236 313093179 /nfs/dbraw/zinc/09/31/79/313093179.db2.gz LKIQMMLCGNWSHT-LLVKDONJSA-N 0 0 334.351 2.654 10 5 EFBERN CO[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000458246433 313093867 /nfs/dbraw/zinc/09/38/67/313093867.db2.gz WSWFJDPQRSZJBT-HUUCEWRRSA-N 0 0 329.356 2.764 10 5 EFBERN CO[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000458246434 313093915 /nfs/dbraw/zinc/09/39/15/313093915.db2.gz WSWFJDPQRSZJBT-LSDHHAIUSA-N 0 0 329.356 2.764 10 5 EFBERN Cc1nn(CCC(=O)N2Cc3ccc(Cl)cc3C2)c(C)c1[N+](=O)[O-] ZINC000458253370 313095642 /nfs/dbraw/zinc/09/56/42/313095642.db2.gz NLOBPNCGPGOCPA-UHFFFAOYSA-N 0 0 348.790 2.994 10 5 EFBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CC(F)F)CC1 ZINC000470184910 313130142 /nfs/dbraw/zinc/13/01/42/313130142.db2.gz IUTJCGCWCMAXDH-UKTHLTGXSA-N 0 0 325.359 2.881 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3nc4ccccc4cc3[N+](=O)[O-])c2)CN1 ZINC000473520975 313198919 /nfs/dbraw/zinc/19/89/19/313198919.db2.gz DPRSHZQCGHFHEI-AWEZNQCLSA-N 0 0 348.362 2.912 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000474384564 313207963 /nfs/dbraw/zinc/20/79/63/313207963.db2.gz PIKPBGHJNZDKSF-MDZLAQPJSA-N 0 0 326.418 2.958 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000474371661 313208004 /nfs/dbraw/zinc/20/80/04/313208004.db2.gz CBWFQXIDTPOHSH-KGYLQXTDSA-N 0 0 326.418 2.958 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000474366296 313208098 /nfs/dbraw/zinc/20/80/98/313208098.db2.gz AREXBKWAJZYWSU-RAIGVLPGSA-N 0 0 326.418 2.958 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000474399614 313208615 /nfs/dbraw/zinc/20/86/15/313208615.db2.gz ZLAMJQKKYFOUSC-NTZNESFSSA-N 0 0 326.418 2.958 10 5 EFBERN C[C@](O)(CNc1ncnc2cccc([N+](=O)[O-])c21)C1CCCCC1 ZINC000477802731 313245179 /nfs/dbraw/zinc/24/51/79/313245179.db2.gz UMYCNXPPPYLPPA-KRWDZBQOSA-N 0 0 330.388 2.703 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000477947226 313247135 /nfs/dbraw/zinc/24/71/35/313247135.db2.gz ROBFXTZFQGYJRF-IOASZLSFSA-N 0 0 341.367 2.921 10 5 EFBERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000478032760 313247558 /nfs/dbraw/zinc/24/75/58/313247558.db2.gz XXMWOODCFUSEPM-QLPKVWCKSA-N 0 0 340.335 2.762 10 5 EFBERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000478051092 313248315 /nfs/dbraw/zinc/24/83/15/313248315.db2.gz APBVZUUECHIWOX-HALDLXJZSA-N 0 0 339.351 2.713 10 5 EFBERN CC(C)COCCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479450311 313268705 /nfs/dbraw/zinc/26/87/05/313268705.db2.gz UDUCYUGFGCYCKT-UHFFFAOYSA-N 0 0 328.796 2.970 10 5 EFBERN C[C@](O)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000479719824 313276079 /nfs/dbraw/zinc/27/60/79/313276079.db2.gz UGAWIAGOMGTQBC-SFHVURJKSA-N 0 0 349.431 2.768 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000481109018 313286989 /nfs/dbraw/zinc/28/69/89/313286989.db2.gz DPVCPNHBNXRHCP-ZDUSSCGKSA-N 0 0 334.420 2.782 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000486856149 313344778 /nfs/dbraw/zinc/34/47/78/313344778.db2.gz OUHVTIIXNCEODD-DDFAGTSDSA-N 0 0 330.793 2.633 10 5 EFBERN CCOc1cc(N(C)Cc2nc([C@@H](C)OC)no2)ccc1[N+](=O)[O-] ZINC000486957896 313352379 /nfs/dbraw/zinc/35/23/79/313352379.db2.gz MXWSBOCICXGYPZ-SNVBAGLBSA-N 0 0 336.348 2.720 10 5 EFBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000487125287 313368904 /nfs/dbraw/zinc/36/89/04/313368904.db2.gz 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Cc1cc(CNc2ncc([N+](=O)[O-])cc2Cl)nc(N2CCCC2)n1 ZINC000488715336 313505256 /nfs/dbraw/zinc/50/52/56/313505256.db2.gz HNLWZOCQWANJIE-UHFFFAOYSA-N 0 0 348.794 2.954 10 5 EFBERN COCCN(Cc1scnc1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488843460 313518614 /nfs/dbraw/zinc/51/86/14/313518614.db2.gz SKGLOJBRDOVYLN-UHFFFAOYSA-N 0 0 335.385 2.649 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)c(F)c2C1 ZINC000489020609 313536349 /nfs/dbraw/zinc/53/63/49/313536349.db2.gz ULDWSBQOOXEOAY-UHFFFAOYSA-N 0 0 348.305 2.837 10 5 EFBERN CCOC[C@H](C)Nc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489973869 313621847 /nfs/dbraw/zinc/62/18/47/313621847.db2.gz SWGIQSYEZWFBKC-LBPRGKRZSA-N 0 0 330.388 2.873 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)c2ccncc12 ZINC000490682216 313667753 /nfs/dbraw/zinc/66/77/53/313667753.db2.gz PVEVJFYLFPPYNI-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN Cc1c(CNCc2cnnn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000491385097 313741977 /nfs/dbraw/zinc/74/19/77/313741977.db2.gz 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O=[N+]([O-])c1ccc(CS(=O)(=O)NC/C=C/c2ccccc2)cc1 ZINC000112706297 473299405 /nfs/dbraw/zinc/29/94/05/473299405.db2.gz WKPRFLAPHDYDBB-QPJJXVBHSA-N 0 0 332.381 2.728 10 5 EFBERN CNc1nccc(C(=O)NCC2(C(F)(F)F)CCCC2)c1[N+](=O)[O-] ZINC000600704676 468627245 /nfs/dbraw/zinc/62/72/45/468627245.db2.gz NPJDLBOYOYRCMQ-UHFFFAOYSA-N 0 0 346.309 2.884 10 5 EFBERN CCOc1cccnc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162067699 473300827 /nfs/dbraw/zinc/30/08/27/473300827.db2.gz XUKPWRXGSIAKPZ-UHFFFAOYSA-N 0 0 327.340 2.982 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccs2)C1 ZINC000162106971 473303549 /nfs/dbraw/zinc/30/35/49/473303549.db2.gz GZLKQHJSTOXCNG-AWEZNQCLSA-N 0 0 332.381 2.799 10 5 EFBERN O=[N+]([O-])c1ccc(NCCC2(O)CCN(c3ccccc3)CC2)nc1 ZINC000601223674 468787214 /nfs/dbraw/zinc/78/72/14/468787214.db2.gz KMOKTUVWXBHGIQ-UHFFFAOYSA-N 0 0 342.399 2.823 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccs2)C1 ZINC000162234870 473319810 /nfs/dbraw/zinc/31/98/10/473319810.db2.gz JKNCCXXUSBJDRN-AWEZNQCLSA-N 0 0 347.396 2.668 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CCCOC2)C1 ZINC000083183813 473329934 /nfs/dbraw/zinc/32/99/34/473329934.db2.gz FIJBGPGEGBZZRH-KRWDZBQOSA-N 0 0 333.388 2.697 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000149790185 473331466 /nfs/dbraw/zinc/33/14/66/473331466.db2.gz LXKAHLYMELPWAS-UHFFFAOYSA-N 0 0 332.259 2.841 10 5 EFBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000177212630 473333916 /nfs/dbraw/zinc/33/39/16/473333916.db2.gz UQSJMTKHAQXQMX-CQSZACIVSA-N 0 0 328.372 2.713 10 5 EFBERN CO[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(C)(C)C ZINC000124969607 473334363 /nfs/dbraw/zinc/33/43/63/473334363.db2.gz LXJUECJZTKAULF-HNNXBMFYSA-N 0 0 335.404 2.724 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000177222587 473334633 /nfs/dbraw/zinc/33/46/33/473334633.db2.gz WVVYSTJWQLWOQR-CHWSQXEVSA-N 0 0 334.445 2.765 10 5 EFBERN Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc([N+](=O)[O-])c1 ZINC000150103807 473335348 /nfs/dbraw/zinc/33/53/48/473335348.db2.gz GFGIICRBUFHXHM-GFCCVEGCSA-N 0 0 343.387 2.712 10 5 EFBERN Cc1cccc2c1OCC[C@@H]2NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000190636929 473341679 /nfs/dbraw/zinc/34/16/79/473341679.db2.gz IZNAAFRVTXZPEF-AWEZNQCLSA-N 0 0 342.351 2.922 10 5 EFBERN CO[C@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000615722575 469305598 /nfs/dbraw/zinc/30/55/98/469305598.db2.gz LNWBXYMGYJMYMQ-LLVKDONJSA-N 0 0 330.266 2.917 10 5 EFBERN CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CCN1CC(F)F ZINC000125035144 473345405 /nfs/dbraw/zinc/34/54/05/473345405.db2.gz FEDIMMIEWZUFQJ-LBPRGKRZSA-N 0 0 341.358 2.705 10 5 EFBERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000171294529 473354616 /nfs/dbraw/zinc/35/46/16/473354616.db2.gz QCTJEIMZENEBGL-UHFFFAOYSA-N 0 0 327.275 2.771 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCOCc1ccccc1 ZINC000190688298 473361842 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CSC[C@H]1CCCN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000185264071 473380778 /nfs/dbraw/zinc/38/07/78/473380778.db2.gz NUMAKMWBWCHWHU-SNVBAGLBSA-N 0 0 348.421 2.558 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(C)n1 ZINC000185257045 473379190 /nfs/dbraw/zinc/37/91/90/473379190.db2.gz DMIXFBFXKRUHER-CQSZACIVSA-N 0 0 328.372 2.578 10 5 EFBERN CCn1cc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CCO2)cn1 ZINC000190746916 473382707 /nfs/dbraw/zinc/38/27/07/473382707.db2.gz QBTSTUBNUIWRJJ-QGZVFWFLSA-N 0 0 330.388 2.693 10 5 EFBERN Cc1cc(C(=O)Nc2cccc3c2OCC[C@H]3O)ccc1[N+](=O)[O-] ZINC000185272387 473383417 /nfs/dbraw/zinc/38/34/17/473383417.db2.gz RDNWITVWLAERSJ-OAHLLOKOSA-N 0 0 328.324 2.971 10 5 EFBERN CCC1(CC)CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185284986 473385750 /nfs/dbraw/zinc/38/57/50/473385750.db2.gz UFAHETNXLGOASY-QHCPKHFHSA-N 0 0 340.445 2.727 10 5 EFBERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162828706 473386965 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ZINC000056346427 472308831 /nfs/dbraw/zinc/30/88/31/472308831.db2.gz XLVZBODICDBLPF-UHFFFAOYSA-N 0 0 341.367 2.966 10 5 EFBERN Cc1ccc(OS(=O)(=O)N(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000029973203 472309518 /nfs/dbraw/zinc/30/95/18/472309518.db2.gz YSPQNOJUFRLLBC-UHFFFAOYSA-N 0 0 328.390 2.791 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000030323774 472326724 /nfs/dbraw/zinc/32/67/24/472326724.db2.gz UQABXHBWFJPTRN-AWEZNQCLSA-N 0 0 348.380 2.705 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cn[nH]c3)cc2[N+](=O)[O-])C1 ZINC000030663941 472345395 /nfs/dbraw/zinc/34/53/95/472345395.db2.gz OUQYBVYVZIFIKT-LLVKDONJSA-N 0 0 329.360 2.807 10 5 EFBERN CCc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000076427891 472346573 /nfs/dbraw/zinc/34/65/73/472346573.db2.gz BZMJRPXXSVPZEQ-UHFFFAOYSA-N 0 0 340.343 2.533 10 5 EFBERN CSCc1cc(F)ccc1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000088204590 472347128 /nfs/dbraw/zinc/34/71/28/472347128.db2.gz KYYPKRCCNRLMLE-UHFFFAOYSA-N 0 0 338.364 2.558 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCCc2ccccc21 ZINC000069456495 472348520 /nfs/dbraw/zinc/34/85/20/472348520.db2.gz MWDSWMQUVNRVOO-MRXNPFEDSA-N 0 0 328.372 2.765 10 5 EFBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000088280677 472354929 /nfs/dbraw/zinc/35/49/29/472354929.db2.gz SWDRXWKVOOAVMJ-LLVKDONJSA-N 0 0 349.778 2.667 10 5 EFBERN COc1ccc(CC(=O)N(Cc2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000069509216 472360177 /nfs/dbraw/zinc/36/01/77/472360177.db2.gz YTKLFQHILJCJIH-UHFFFAOYSA-N 0 0 343.383 2.978 10 5 EFBERN CN(C)c1ccc(C(=O)NCCSCc2ccco2)cc1[N+](=O)[O-] ZINC000031252161 472369992 /nfs/dbraw/zinc/36/99/92/472369992.db2.gz CYLSCKOKRLDBBQ-UHFFFAOYSA-N 0 0 349.412 2.917 10 5 EFBERN COc1ccc(F)c(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000088535670 472370778 /nfs/dbraw/zinc/37/07/78/472370778.db2.gz IEBMOSHTLOXDHX-UHFFFAOYSA-N 0 0 345.330 2.744 10 5 EFBERN COc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000088547100 472373379 /nfs/dbraw/zinc/37/33/79/472373379.db2.gz RFDFURVXZPCHLG-UHFFFAOYSA-N 0 0 326.305 2.543 10 5 EFBERN CNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000045144052 472376129 /nfs/dbraw/zinc/37/61/29/472376129.db2.gz RKUMFBDXSOSWOT-UHFFFAOYSA-N 0 0 334.357 2.968 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Nc2cccnc2)CC1 ZINC000069664628 472393817 /nfs/dbraw/zinc/39/38/17/472393817.db2.gz AOFRNVLPVHGRFS-UHFFFAOYSA-N 0 0 326.356 2.707 10 5 EFBERN Cc1c(C(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000069667927 472394446 /nfs/dbraw/zinc/39/44/46/472394446.db2.gz SRSYXONRCHRLMK-HNNXBMFYSA-N 0 0 347.415 2.813 10 5 EFBERN Cc1csc(C(C)(C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000116377816 472396867 /nfs/dbraw/zinc/39/68/67/472396867.db2.gz GYUKHVKGVDJADV-UHFFFAOYSA-N 0 0 347.443 2.635 10 5 EFBERN CCc1cccc(CC)c1NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000096778102 472398726 /nfs/dbraw/zinc/39/87/26/472398726.db2.gz RVOZHTSYYVCNCU-UHFFFAOYSA-N 0 0 343.383 2.828 10 5 EFBERN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)OCc1ccccn1 ZINC000096911693 472398931 /nfs/dbraw/zinc/39/89/31/472398931.db2.gz PXNFDSDGJSHCKG-PLNGDYQASA-N 0 0 342.307 2.613 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C\c1c(C)nn(C)c1C ZINC000096920781 472398976 /nfs/dbraw/zinc/39/89/76/472398976.db2.gz DHPVRJXMKKTWEJ-SREVYHEPSA-N 0 0 330.344 2.687 10 5 EFBERN Cc1nnc([C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)c2ccccc2)n1C ZINC000097014902 472408566 /nfs/dbraw/zinc/40/85/66/472408566.db2.gz PFJHERUBBXBHRL-INIZCTEOSA-N 0 0 338.371 2.937 10 5 EFBERN Cc1ccc(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)o1 ZINC000032039868 472410967 /nfs/dbraw/zinc/41/09/67/472410967.db2.gz WMQXIHMAIANQJU-UHFFFAOYSA-N 0 0 340.339 2.954 10 5 EFBERN Cc1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000116474184 472411652 /nfs/dbraw/zinc/41/16/52/472411652.db2.gz KPLZOFPTHQKEKG-GFCCVEGCSA-N 0 0 329.360 2.658 10 5 EFBERN Cc1c(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116477060 472411878 /nfs/dbraw/zinc/41/18/78/472411878.db2.gz BLFBMMCEVZLZMG-GFCCVEGCSA-N 0 0 329.360 2.658 10 5 EFBERN Cc1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000116474182 472411940 /nfs/dbraw/zinc/41/19/40/472411940.db2.gz KPLZOFPTHQKEKG-LBPRGKRZSA-N 0 0 329.360 2.658 10 5 EFBERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000032064551 472412371 /nfs/dbraw/zinc/41/23/71/472412371.db2.gz HWLURPOHWICQRO-INIZCTEOSA-N 0 0 329.287 2.973 10 5 EFBERN CC(C)c1ccc([C@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000089359055 472419605 /nfs/dbraw/zinc/41/96/05/472419605.db2.gz ZUOIVWSFYDIJTO-OAHLLOKOSA-N 0 0 343.387 2.673 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000154349461 472419707 /nfs/dbraw/zinc/41/97/07/472419707.db2.gz XYDXRMPBFJSOLG-CQSZACIVSA-N 0 0 336.388 2.881 10 5 EFBERN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000116626427 472423570 /nfs/dbraw/zinc/42/35/70/472423570.db2.gz WVJMVTRFHPJLQA-GXFFZTMASA-N 0 0 342.779 2.701 10 5 EFBERN COc1cc([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1F ZINC000097050738 472427023 /nfs/dbraw/zinc/42/70/23/472427023.db2.gz ZKNNVQOOTFICQR-SECBINFHSA-N 0 0 333.319 2.816 10 5 EFBERN COC(=O)/C=C/c1ccc(NCC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000069777025 472428677 /nfs/dbraw/zinc/42/86/77/472428677.db2.gz NLPVDMLAFPMLTQ-PYEVWLCESA-N 0 0 348.277 2.506 10 5 EFBERN COC(=O)/C=C/c1ccc(NCC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000069777027 472428992 /nfs/dbraw/zinc/42/89/92/472428992.db2.gz NLPVDMLAFPMLTQ-OGOUPESXSA-N 0 0 348.277 2.506 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1ccc(C)o1 ZINC000032406346 472430410 /nfs/dbraw/zinc/43/04/10/472430410.db2.gz RGEWSVXSRKTHEI-JTQLQIEISA-N 0 0 340.357 2.544 10 5 EFBERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000128340412 472438830 /nfs/dbraw/zinc/43/88/30/472438830.db2.gz RTUINRXKUXGXBW-QGZVFWFLSA-N 0 0 326.352 2.833 10 5 EFBERN COc1c(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(C)nn1C ZINC000089570524 472459635 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Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)n[nH]2)o1 ZINC000089656120 472480072 /nfs/dbraw/zinc/48/00/72/472480072.db2.gz KZEJDMKPFPFANE-UHFFFAOYSA-N 0 0 333.329 2.904 10 5 EFBERN Cc1c(NC(=O)[C@H]2CCCN(C(=O)NC(C)C)C2)cccc1[N+](=O)[O-] ZINC000032913098 472480113 /nfs/dbraw/zinc/48/01/13/472480113.db2.gz REHQRWOQCMIUQF-ZDUSSCGKSA-N 0 0 348.403 2.672 10 5 EFBERN Cc1nnc([C@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2ccccc2)[nH]1 ZINC000057840121 472482879 /nfs/dbraw/zinc/48/28/79/472482879.db2.gz LOHVUCGAHQABFE-CQSZACIVSA-N 0 0 349.354 2.871 10 5 EFBERN O=C(c1cc(NC[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-])N1CCCC1 ZINC000077237773 472484431 /nfs/dbraw/zinc/48/44/31/472484431.db2.gz FPLUOVNXOGIYBE-GUYCJALGSA-N 0 0 347.415 2.794 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(OCCCO)CC1 ZINC000154924641 472488018 /nfs/dbraw/zinc/48/80/18/472488018.db2.gz SNCVWNQYWRLFNS-UHFFFAOYSA-N 0 0 328.796 2.612 10 5 EFBERN O=C(CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000077328675 472505350 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O=[N+]([O-])c1ccc(N2CCC(c3nnc4n3CCC4)CC2)c(F)c1 ZINC000058438599 472570406 /nfs/dbraw/zinc/57/04/06/472570406.db2.gz LJWUPTZQOMDXBX-UHFFFAOYSA-N 0 0 331.351 2.656 10 5 EFBERN O=C(NCCc1cn2ccccc2n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129951586 472574845 /nfs/dbraw/zinc/57/48/45/472574845.db2.gz HLZOIGFHXXNFQV-UHFFFAOYSA-N 0 0 349.350 2.696 10 5 EFBERN COC(=O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000058550627 472580417 /nfs/dbraw/zinc/58/04/17/472580417.db2.gz PKLSZXZXQAESRF-UHFFFAOYSA-N 0 0 346.314 2.549 10 5 EFBERN COC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090072159 472590692 /nfs/dbraw/zinc/59/06/92/472590692.db2.gz HGNNMOMOMYUGEN-ZDUSSCGKSA-N 0 0 327.340 2.656 10 5 EFBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCCN1c1ccccc1F ZINC000090149575 472603401 /nfs/dbraw/zinc/60/34/01/472603401.db2.gz DNLMVIPKHJHRPI-CYBMUJFWSA-N 0 0 330.319 2.736 10 5 EFBERN CCOc1ccc(C(=O)Nc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000103019764 472605481 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HJWJPDUSPABRFW-UHFFFAOYSA-N 0 0 326.711 2.936 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110454714 473158759 /nfs/dbraw/zinc/15/87/59/473158759.db2.gz LGMMBWFSAOSJQJ-RHSMWYFYSA-N 0 0 326.352 2.894 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110445862 473158776 /nfs/dbraw/zinc/15/87/76/473158776.db2.gz JJDIZMKOJHZFJG-HUUCEWRRSA-N 0 0 326.352 2.894 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110447277 473159267 /nfs/dbraw/zinc/15/92/67/473159267.db2.gz AKXUJODOVWZWLO-WMLDXEAASA-N 0 0 326.352 2.894 10 5 EFBERN Cc1n[nH]c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc12 ZINC000093909370 473161330 /nfs/dbraw/zinc/16/13/30/473161330.db2.gz YCSZJPYDIMTMBP-UHFFFAOYSA-N 0 0 346.368 2.889 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1 ZINC000123619930 473165418 /nfs/dbraw/zinc/16/54/18/473165418.db2.gz CJOZSDPIFPVOEM-ZDUSSCGKSA-N 0 0 334.420 2.675 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000052949264 473167186 /nfs/dbraw/zinc/16/71/86/473167186.db2.gz AVKGAKOWMXAZSK-SNVBAGLBSA-N 0 0 343.339 2.560 10 5 EFBERN CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000081259629 473169704 /nfs/dbraw/zinc/16/97/04/473169704.db2.gz CCMXAXZTVSFDTF-CQSZACIVSA-N 0 0 330.388 2.755 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000081265366 473171804 /nfs/dbraw/zinc/17/18/04/473171804.db2.gz NBIRBCRACBHWJN-CYBMUJFWSA-N 0 0 346.387 2.835 10 5 EFBERN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000136718529 473173665 /nfs/dbraw/zinc/17/36/65/473173665.db2.gz OZQDALPPARLLEV-LBPRGKRZSA-N 0 0 338.429 2.941 10 5 EFBERN COC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000075368068 473176581 /nfs/dbraw/zinc/17/65/81/473176581.db2.gz VUDQEVAFMZQFCJ-INIZCTEOSA-N 0 0 348.330 2.617 10 5 EFBERN CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000123716124 473176755 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10 5 EFBERN COc1cccc(N[C@@H]2CCc3nc(C(C)C)nn3C2)c1[N+](=O)[O-] ZINC000185374641 473408732 /nfs/dbraw/zinc/40/87/32/473408732.db2.gz RKNOBFAWNDSNHH-LLVKDONJSA-N 0 0 331.376 2.745 10 5 EFBERN Cc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c(N)c([N+](=O)[O-])c1 ZINC000185381003 473411212 /nfs/dbraw/zinc/41/12/12/473411212.db2.gz OCKUFMIPJLQUPK-AWEZNQCLSA-N 0 0 343.339 2.554 10 5 EFBERN Cc1nnc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000171571478 473411236 /nfs/dbraw/zinc/41/12/36/473411236.db2.gz GSMRCZCJOBTWJX-CYBMUJFWSA-N 0 0 343.368 2.602 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000163106653 473413888 /nfs/dbraw/zinc/41/38/88/473413888.db2.gz LHUHHXNJJFRHHP-ZDUSSCGKSA-N 0 0 348.384 2.965 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151151783 473416198 /nfs/dbraw/zinc/41/61/98/473416198.db2.gz TWGYMYALPHBZBX-KDOFPFPSSA-N 0 0 347.415 2.550 10 5 EFBERN CCOC(=O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000113850092 473419015 /nfs/dbraw/zinc/41/90/15/473419015.db2.gz AQCWSYFIDGCKTM-UHFFFAOYSA-N 0 0 343.339 2.656 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1cn[nH]c1 ZINC000113895068 473420912 /nfs/dbraw/zinc/42/09/12/473420912.db2.gz VRBLNISADVPBKZ-HNNXBMFYSA-N 0 0 343.387 2.874 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1cn[nH]c1 ZINC000113896344 473421745 /nfs/dbraw/zinc/42/17/45/473421745.db2.gz PZHMDJNDRBFQRL-AWEZNQCLSA-N 0 0 344.371 2.841 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1ccnc1 ZINC000177735741 473426125 /nfs/dbraw/zinc/42/61/25/473426125.db2.gz CSILCZAQQWUECU-GFCCVEGCSA-N 0 0 334.763 2.750 10 5 EFBERN CCc1nc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])cs1 ZINC000171661565 473432774 /nfs/dbraw/zinc/43/27/74/473432774.db2.gz JGABOCSRGZMCFH-UHFFFAOYSA-N 0 0 349.416 2.525 10 5 EFBERN CC[C@H](NC(=O)CCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000177783716 473434298 /nfs/dbraw/zinc/43/42/98/473434298.db2.gz MWCNDWDIQBLTJF-KRWDZBQOSA-N 0 0 349.431 2.665 10 5 EFBERN O=C(N[C@H]1CCCOC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171677978 473436020 /nfs/dbraw/zinc/43/60/20/473436020.db2.gz MCRJMOWSXWFIDB-NSHDSACASA-N 0 0 333.369 2.627 10 5 EFBERN CC[C@@H](NC(=O)CN1CCCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000177794267 473436638 /nfs/dbraw/zinc/43/66/38/473436638.db2.gz ZZIQNOUYCMHDJC-OAHLLOKOSA-N 0 0 333.388 2.565 10 5 EFBERN CC[C@@H](NC(=O)CCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177795652 473436646 /nfs/dbraw/zinc/43/66/46/473436646.db2.gz FUSIZDCRTJUXRV-JKSUJKDBSA-N 0 0 336.388 2.748 10 5 EFBERN CC[C@@H](NC(=O)CCn1c(C)csc1=O)c1cccc([N+](=O)[O-])c1 ZINC000177797816 473438101 /nfs/dbraw/zinc/43/81/01/473438101.db2.gz ZSKPGCHVCIRJFC-CQSZACIVSA-N 0 0 349.412 2.784 10 5 EFBERN CC[C@@H](NC(=O)CCNC(=O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177808242 473439152 /nfs/dbraw/zinc/43/91/52/473439152.db2.gz DZZDTBOWZWSFIY-OAHLLOKOSA-N 0 0 335.404 2.715 10 5 EFBERN CC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000177803859 473439514 /nfs/dbraw/zinc/43/95/14/473439514.db2.gz UQBKDBGFZROZRE-IAQYHMDHSA-N 0 0 345.355 2.574 10 5 EFBERN CSc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000177811283 473440034 /nfs/dbraw/zinc/44/00/34/473440034.db2.gz CMLKMKHVAKWHIN-CYBMUJFWSA-N 0 0 346.412 2.818 10 5 EFBERN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCS1 ZINC000125651676 473440296 /nfs/dbraw/zinc/44/02/96/473440296.db2.gz NQIOLWGOHGZIHD-CYBMUJFWSA-N 0 0 344.458 2.576 10 5 EFBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190965016 473442689 /nfs/dbraw/zinc/44/26/89/473442689.db2.gz XBZUHQMAZVRWSH-SJKOYZFVSA-N 0 0 341.367 2.779 10 5 EFBERN Cc1cc(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000096547957 473457997 /nfs/dbraw/zinc/45/79/97/473457997.db2.gz FXLGCVSCMXDJNC-UHFFFAOYSA-N 0 0 329.356 2.827 10 5 EFBERN COc1ccc(S(=O)(=O)NC/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000171837168 473467715 /nfs/dbraw/zinc/46/77/15/473467715.db2.gz GHGFFVOYTIIAAL-VMPITWQZSA-N 0 0 348.380 2.595 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC/C=C/c1ccccc1 ZINC000171837103 473467888 /nfs/dbraw/zinc/46/78/88/473467888.db2.gz KXLDVUZYIODNHX-VMPITWQZSA-N 0 0 348.380 2.595 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC(C)(C)C ZINC000151581258 473474948 /nfs/dbraw/zinc/47/49/48/473474948.db2.gz KVMVQEDAPIXPFR-UHFFFAOYSA-N 0 0 330.406 2.708 10 5 EFBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1Cl ZINC000164137447 473479655 /nfs/dbraw/zinc/47/96/55/473479655.db2.gz SHAMQJPFAMETCP-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN Cc1cccc(C(=O)N2CCC(Cn3cccn3)CC2)c1[N+](=O)[O-] ZINC000126013032 473479712 /nfs/dbraw/zinc/47/97/12/473479712.db2.gz LOMIOQJNOUKFLD-UHFFFAOYSA-N 0 0 328.372 2.652 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC=C(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171931240 473485007 /nfs/dbraw/zinc/48/50/07/473485007.db2.gz CHRGUENOHLJMPS-UHFFFAOYSA-N 0 0 326.356 2.810 10 5 EFBERN CSCCCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000126295387 473505977 /nfs/dbraw/zinc/50/59/77/473505977.db2.gz LLEZNXJREJHIRD-UHFFFAOYSA-N 0 0 348.428 2.868 10 5 EFBERN COc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000114797015 473507185 /nfs/dbraw/zinc/50/71/85/473507185.db2.gz ZTLWTHCZRGTXPA-UHFFFAOYSA-N 0 0 330.340 2.590 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000185804341 473518580 /nfs/dbraw/zinc/51/85/80/473518580.db2.gz VOXWTYHFPHQGEW-NSHDSACASA-N 0 0 347.331 2.670 10 5 EFBERN COC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000126477733 473519817 /nfs/dbraw/zinc/51/98/17/473519817.db2.gz VDFCKVPBQZAYKH-QGZVFWFLSA-N 0 0 343.383 2.824 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178521589 473525196 /nfs/dbraw/zinc/52/51/96/473525196.db2.gz BJJYFDKWIKQNDA-GFCCVEGCSA-N 0 0 336.388 2.767 10 5 EFBERN CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCC1 ZINC000185833131 473526240 /nfs/dbraw/zinc/52/62/40/473526240.db2.gz IFQXJDHATKDZLO-UHFFFAOYSA-N 0 0 335.385 2.612 10 5 EFBERN Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000166554773 473528650 /nfs/dbraw/zinc/52/86/50/473528650.db2.gz BCEGUYWDFFCAIZ-CABCVRRESA-N 0 0 343.431 2.956 10 5 EFBERN CN(Cc1cnccn1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178565618 473532344 /nfs/dbraw/zinc/53/23/44/473532344.db2.gz DNSJGDOLWULBJH-UHFFFAOYSA-N 0 0 340.261 2.676 10 5 EFBERN Cn1cccc1[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185883658 473539274 /nfs/dbraw/zinc/53/92/74/473539274.db2.gz PLOMOPXZQNXHGZ-MRXNPFEDSA-N 0 0 349.412 2.849 10 5 EFBERN CC(C)[C@H](C)N(C1CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178634286 473540181 /nfs/dbraw/zinc/54/01/81/473540181.db2.gz BQOBPNASPZXMHM-LBPRGKRZSA-N 0 0 326.418 2.934 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1[N+](=O)[O-] ZINC000191449308 473540708 /nfs/dbraw/zinc/54/07/08/473540708.db2.gz XRODTLLVZVIQQC-GFCCVEGCSA-N 0 0 344.371 2.832 10 5 EFBERN C[C@H](c1ccncc1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178663594 473542658 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CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(C)C)cc2F)n1 ZINC000191584087 473557422 /nfs/dbraw/zinc/55/74/22/473557422.db2.gz JNUQJFYTLAYJSM-UHFFFAOYSA-N 0 0 336.323 2.990 10 5 EFBERN C[C@H](Nc1ccc(CNS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000170592785 473558484 /nfs/dbraw/zinc/55/84/84/473558484.db2.gz FBZSDWRWSKEHKT-LBPRGKRZSA-N 0 0 349.412 2.817 10 5 EFBERN Cc1cccc(N2CCC(NC(=O)c3csc([N+](=O)[O-])c3)CC2)n1 ZINC000172248118 473561000 /nfs/dbraw/zinc/56/10/00/473561000.db2.gz VMOQDDSXTNPABI-UHFFFAOYSA-N 0 0 346.412 2.759 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 ZINC000191624235 473561435 /nfs/dbraw/zinc/56/14/35/473561435.db2.gz RNUOWDLNIIEIGU-AWEZNQCLSA-N 0 0 328.372 2.562 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)n1 ZINC000191646235 473563600 /nfs/dbraw/zinc/56/36/00/473563600.db2.gz TUGMUUJWNVUTTO-CQSZACIVSA-N 0 0 348.378 2.947 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)n1 ZINC000191639937 473564359 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Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000352709679 475552424 /nfs/dbraw/zinc/55/24/24/475552424.db2.gz NFIFFCLDOXVGOR-VIFPVBQESA-N 0 0 338.307 2.537 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1[N+](=O)[O-] ZINC000296962217 475554675 /nfs/dbraw/zinc/55/46/75/475554675.db2.gz PLNVXJAKERSMLI-HTQZYQBOSA-N 0 0 334.298 2.683 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CO)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000338062738 475557664 /nfs/dbraw/zinc/55/76/64/475557664.db2.gz NWBFYBUQTMOMKU-TZMCWYRMSA-N 0 0 335.404 2.896 10 5 EFBERN COCc1csc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000342172578 475568654 /nfs/dbraw/zinc/56/86/54/475568654.db2.gz KMQSVMLDUUNQBG-UHFFFAOYSA-N 0 0 343.311 2.657 10 5 EFBERN COc1cc2c(cc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])OCO2 ZINC000352729571 475570660 /nfs/dbraw/zinc/57/06/60/475570660.db2.gz OMFGHARHDRDQTB-JTQLQIEISA-N 0 0 344.323 2.823 10 5 EFBERN COc1cc2c(cc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])OCO2 ZINC000352729572 475571039 /nfs/dbraw/zinc/57/10/39/475571039.db2.gz OMFGHARHDRDQTB-SNVBAGLBSA-N 0 0 344.323 2.823 10 5 EFBERN COc1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])c(C)n2)cc1OC ZINC000297009693 475572771 /nfs/dbraw/zinc/57/27/71/475572771.db2.gz GHRWGLRBCQWWML-SNVBAGLBSA-N 0 0 332.360 2.754 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000348324656 475592117 /nfs/dbraw/zinc/59/21/17/475592117.db2.gz KQNIAGSTEYURRT-CHWSQXEVSA-N 0 0 334.372 2.635 10 5 EFBERN C[NH+](C)CCc1ccccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355006836 475592716 /nfs/dbraw/zinc/59/27/16/475592716.db2.gz DJUHZMFYWMRKDS-UHFFFAOYSA-N 0 0 329.356 2.657 10 5 EFBERN CCOC(=O)C[C@H](C)Sc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000342408827 475596067 /nfs/dbraw/zinc/59/60/67/475596067.db2.gz CALWBKXKTIPVKY-VIFPVBQESA-N 0 0 342.373 2.519 10 5 EFBERN CN(C)c1ccnc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000361614629 475600273 /nfs/dbraw/zinc/60/02/73/475600273.db2.gz DRXQOVCRLQYOSA-UHFFFAOYSA-N 0 0 339.302 2.664 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000339900968 475601881 /nfs/dbraw/zinc/60/18/81/475601881.db2.gz QDPBDUAFLULVDQ-CMPLNLGQSA-N 0 0 349.309 2.658 10 5 EFBERN CCOC(=O)CC[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297105455 475612642 /nfs/dbraw/zinc/61/26/42/475612642.db2.gz ARSGHGKBNOFDHU-RYUDHWBXSA-N 0 0 337.376 2.687 10 5 EFBERN COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352779010 475615740 /nfs/dbraw/zinc/61/57/40/475615740.db2.gz MYFSSCDDAPCJAA-QGZVFWFLSA-N 0 0 344.367 2.950 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCc2ccsc2)c1C ZINC000338148218 475628884 /nfs/dbraw/zinc/62/88/84/475628884.db2.gz FZJYHWDEDWHJOE-UHFFFAOYSA-N 0 0 340.426 2.794 10 5 EFBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297149243 475629532 /nfs/dbraw/zinc/62/95/32/475629532.db2.gz IRCIBMVGEDISQE-KGLIPLIRSA-N 0 0 328.372 2.737 10 5 EFBERN C[C@H]1C[C@@H](S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000297173465 475639273 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Cc1ccc(C)c(S(=O)(=O)N2CCC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000297201694 475653455 /nfs/dbraw/zinc/65/34/55/475653455.db2.gz UXPJQBBUOAQYRW-AWEZNQCLSA-N 0 0 330.381 2.724 10 5 EFBERN CC(C)(C(=O)NCc1ccc(CO)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000342973744 475667059 /nfs/dbraw/zinc/66/70/59/475667059.db2.gz CVKXQTUVQBXGNQ-UHFFFAOYSA-N 0 0 346.358 2.820 10 5 EFBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(OC)c(C)c1OC ZINC000358432197 475673980 /nfs/dbraw/zinc/67/39/80/475673980.db2.gz VIVOCAHOHXEGGB-UHFFFAOYSA-N 0 0 335.316 2.509 10 5 EFBERN O=C(NCc1ccc(Cl)cn1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342988921 475677197 /nfs/dbraw/zinc/67/71/97/475677197.db2.gz HIQUHYVPTCARNW-UHFFFAOYSA-N 0 0 346.774 2.911 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000348456704 475679119 /nfs/dbraw/zinc/67/91/19/475679119.db2.gz RCGOAWMFRNJFLO-ZDUSSCGKSA-N 0 0 331.332 2.544 10 5 EFBERN Cc1c(NC(=O)NN2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000297263241 475681562 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CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000343056481 475726817 /nfs/dbraw/zinc/72/68/17/475726817.db2.gz XORWBZPHJGQORK-DLBZAZTESA-N 0 0 341.367 2.983 10 5 EFBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000355205856 475741728 /nfs/dbraw/zinc/74/17/28/475741728.db2.gz KPHIIIBSLKZFCS-UHFFFAOYSA-N 0 0 342.277 2.913 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000340091864 475750808 /nfs/dbraw/zinc/75/08/08/475750808.db2.gz OXGIRWNFRFAIBC-MRXNPFEDSA-N 0 0 347.396 2.728 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355222178 475756756 /nfs/dbraw/zinc/75/67/56/475756756.db2.gz GRUORSRCFCTCMU-STQMWFEESA-N 0 0 343.383 2.965 10 5 EFBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000340130888 475782479 /nfs/dbraw/zinc/78/24/79/475782479.db2.gz LHMJYPHMEXJSGN-SWLSCSKDSA-N 0 0 329.356 2.536 10 5 EFBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000340130884 475783025 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Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000359101252 476189686 /nfs/dbraw/zinc/18/96/86/476189686.db2.gz ZRYMIYOOQONYHS-ZDUSSCGKSA-N 0 0 344.346 2.963 10 5 EFBERN Cc1cc(OCC(=O)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000340666645 476191032 /nfs/dbraw/zinc/19/10/32/476191032.db2.gz KBJIOSQCVWJUOE-UHFFFAOYSA-N 0 0 349.364 2.568 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000359104938 476192125 /nfs/dbraw/zinc/19/21/25/476192125.db2.gz WBNZXKIUZXFUJK-JTQLQIEISA-N 0 0 346.309 2.572 10 5 EFBERN Cc1ccc(OCC(=O)c2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000340668066 476192552 /nfs/dbraw/zinc/19/25/52/476192552.db2.gz BIPVXMOIIGIZRH-UHFFFAOYSA-N 0 0 349.364 2.568 10 5 EFBERN Cc1cc(C)cc(CS(=O)(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000336903855 476192937 /nfs/dbraw/zinc/19/29/37/476192937.db2.gz CZSDTTPXAPUYEY-UHFFFAOYSA-N 0 0 334.397 2.831 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCc2cccc(F)c2F)cc1 ZINC000357058718 476195605 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O=[N+]([O-])c1ccc(-c2nc(-c3ncccc3-n3cccn3)no2)cc1 ZINC000350503936 476216317 /nfs/dbraw/zinc/21/63/17/476216317.db2.gz SQSQTLBEWSGIFG-UHFFFAOYSA-N 0 0 334.295 2.893 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000362395256 476219210 /nfs/dbraw/zinc/21/92/10/476219210.db2.gz HXVYILCWYFHSJE-WMLDXEAASA-N 0 0 332.400 2.801 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCOC[C@@H]2CC2CCC2)s1 ZINC000338830251 476220112 /nfs/dbraw/zinc/22/01/12/476220112.db2.gz OOAGNGKXEUKOHW-NSHDSACASA-N 0 0 334.401 2.995 10 5 EFBERN O=C(Cc1cccnc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347275312 476222244 /nfs/dbraw/zinc/22/22/44/476222244.db2.gz FQVXNBUIICSNNQ-UHFFFAOYSA-N 0 0 336.145 2.934 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1n1cccn1 ZINC000338836630 476224624 /nfs/dbraw/zinc/22/46/24/476224624.db2.gz BEXOIMQKKTVLNZ-MAZHCROVSA-N 0 0 332.360 2.631 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2cc(OC)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000338837169 476225640 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EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H]2C(F)F)cc1 ZINC000336996174 476254449 /nfs/dbraw/zinc/25/44/49/476254449.db2.gz ODFKOYWRUAZDRQ-LBPRGKRZSA-N 0 0 334.344 2.544 10 5 EFBERN C[C@H]1COCC[C@@H]1c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000350592835 476258705 /nfs/dbraw/zinc/25/87/05/476258705.db2.gz JSMYKFHUXWRCOG-RYUDHWBXSA-N 0 0 332.360 2.772 10 5 EFBERN CNC(=O)c1ccc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000359887826 476271112 /nfs/dbraw/zinc/27/11/12/476271112.db2.gz QQFANDGTEBAOHW-WCBMZHEXSA-N 0 0 331.294 2.732 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1C(F)F ZINC000337030786 476272214 /nfs/dbraw/zinc/27/22/14/476272214.db2.gz DJBUABSJDXMMHP-LLVKDONJSA-N 0 0 334.344 2.712 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000350633014 476274401 /nfs/dbraw/zinc/27/44/01/476274401.db2.gz PFPUDBGBMHYJFC-LBPRGKRZSA-N 0 0 327.340 2.660 10 5 EFBERN CCOc1ccc(-c2nc(-c3ncc(C)cn3)no2)cc1[N+](=O)[O-] ZINC000357169756 476274333 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CCOC(=O)C1(COC)CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000360255032 476296533 /nfs/dbraw/zinc/29/65/33/476296533.db2.gz AOKLLUXBQSDTQS-UHFFFAOYSA-N 0 0 336.388 2.699 10 5 EFBERN O=C([C@H]1CCCOCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362527818 476297648 /nfs/dbraw/zinc/29/76/48/476297648.db2.gz GISJHJSTVXBSIZ-AWEZNQCLSA-N 0 0 348.399 2.781 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-n4cncn4)cc3)n2)s1 ZINC000350835501 476305323 /nfs/dbraw/zinc/30/53/23/476305323.db2.gz ONHLMBYDVPZCSA-UHFFFAOYSA-N 0 0 340.324 2.954 10 5 EFBERN CCOc1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)ccc1C ZINC000350901238 476311239 /nfs/dbraw/zinc/31/12/39/476311239.db2.gz MWIIFKZPEMDZDB-UHFFFAOYSA-N 0 0 329.316 2.752 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccnc1N(C)C ZINC000357272230 476311518 /nfs/dbraw/zinc/31/15/18/476311518.db2.gz KODDCYDTODZFRE-UHFFFAOYSA-N 0 0 348.790 2.948 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cncs2)no1 ZINC000350907211 476311815 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CCc1cnc(CCNc2ncnc3cccc([N+](=O)[O-])c32)s1 ZINC000357339194 476337523 /nfs/dbraw/zinc/33/75/23/476337523.db2.gz RSSDNOTWDTZKFF-UHFFFAOYSA-N 0 0 329.385 2.633 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000353968846 476341420 /nfs/dbraw/zinc/34/14/20/476341420.db2.gz VVDNWFLJEFRONK-UHFFFAOYSA-N 0 0 328.303 2.742 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360702775 476346202 /nfs/dbraw/zinc/34/62/02/476346202.db2.gz WFOCVGUNNURQLS-UHFFFAOYSA-N 0 0 339.355 2.813 10 5 EFBERN CCC(=O)N[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000351149763 476347906 /nfs/dbraw/zinc/34/79/06/476347906.db2.gz FYJPWHASSFVZCH-VIFPVBQESA-N 0 0 345.359 2.590 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@@]34CCOC4)n2)c2c1NCCC2 ZINC000351169033 476350732 /nfs/dbraw/zinc/35/07/32/476350732.db2.gz WVDFUFYVFDXZKF-SJKOYZFVSA-N 0 0 342.355 2.897 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000372854790 476356595 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O=[N+]([O-])c1cc(F)c(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000451882339 476696936 /nfs/dbraw/zinc/69/69/36/476696936.db2.gz CSMCGZGBBNWXLX-JVXZTZIISA-N 0 0 340.248 2.618 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@]2(CCOC2)C1 ZINC000456699025 476697830 /nfs/dbraw/zinc/69/78/30/476697830.db2.gz SDFRDVXMABBQJV-KRWDZBQOSA-N 0 0 329.356 2.719 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)C2CN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000354516183 476702666 /nfs/dbraw/zinc/70/26/66/476702666.db2.gz SFWSTNLTHPJEHJ-SNVBAGLBSA-N 0 0 345.321 2.575 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000354520564 476704132 /nfs/dbraw/zinc/70/41/32/476704132.db2.gz KHJPERSTNWZYRM-YUMQZZPRSA-N 0 0 342.277 2.810 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H](c2nc[nH]n2)c2ccccc2)c(Cl)c1 ZINC000375177152 476704178 /nfs/dbraw/zinc/70/41/78/476704178.db2.gz QJSXFCSKSVOBGK-LBPRGKRZSA-N 0 0 330.735 2.963 10 5 EFBERN C[C@H](NC(=O)NCc1cnc2n1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000375177879 476704703 /nfs/dbraw/zinc/70/47/03/476704703.db2.gz CSNIPUFXUVTUDQ-LBPRGKRZSA-N 0 0 343.387 2.688 10 5 EFBERN CC(C)c1nnc(Sc2ncc([N+](=O)[O-])cn2)n1Cc1ccco1 ZINC000354524421 476706835 /nfs/dbraw/zinc/70/68/35/476706835.db2.gz BGMAPXZTFFQCJR-UHFFFAOYSA-N 0 0 346.372 2.892 10 5 EFBERN CCn1cc([C@@H](C)NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000456726755 476713258 /nfs/dbraw/zinc/71/32/58/476713258.db2.gz KJBQJDKVMCVSCJ-SECBINFHSA-N 0 0 338.314 2.509 10 5 EFBERN O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000354531777 476713693 /nfs/dbraw/zinc/71/36/93/476713693.db2.gz YBDIQWGGISRBEK-GXSJLCMTSA-N 0 0 343.305 2.853 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@]2(CCOC2)C1 ZINC000456740404 476718666 /nfs/dbraw/zinc/71/86/66/476718666.db2.gz VJHGBYZDMPGJQP-SFHVURJKSA-N 0 0 343.383 2.579 10 5 EFBERN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000456749488 476721922 /nfs/dbraw/zinc/72/19/22/476721922.db2.gz URYRRCWOWPDBNJ-LLVKDONJSA-N 0 0 345.321 2.551 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451913876 476722230 /nfs/dbraw/zinc/72/22/30/476722230.db2.gz TUCFJTJXPPKZHL-SKDRFNHKSA-N 0 0 338.713 2.993 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000451923201 476728352 /nfs/dbraw/zinc/72/83/52/476728352.db2.gz MMETYOYITOVFMO-GFCCVEGCSA-N 0 0 332.809 2.976 10 5 EFBERN Cc1noc([C@@H](C)NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000445178650 476732883 /nfs/dbraw/zinc/73/28/83/476732883.db2.gz DVGWAHAXFOKITB-SNVBAGLBSA-N 0 0 348.362 2.864 10 5 EFBERN CC(C)C[C@@H](C(N)=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000413787367 476733693 /nfs/dbraw/zinc/73/36/93/476733693.db2.gz GDBFUUAUGWMOHQ-LBPRGKRZSA-N 0 0 335.404 2.978 10 5 EFBERN Cc1ccc(C)c(CN(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000430016041 476734978 /nfs/dbraw/zinc/73/49/78/476734978.db2.gz DCZGZEAZWKWMAW-UHFFFAOYSA-N 0 0 341.367 2.809 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(O)c3)n2)c1 ZINC000445571837 476750907 /nfs/dbraw/zinc/75/09/07/476750907.db2.gz PAWKGCFQHWEPNW-UHFFFAOYSA-N 0 0 327.296 2.950 10 5 EFBERN Cc1ccnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000370321365 476754460 /nfs/dbraw/zinc/75/44/60/476754460.db2.gz AOLCOQYAYAIKOH-UHFFFAOYSA-N 0 0 332.385 2.775 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cncn1Cc1ccccc1 ZINC000445608274 476754606 /nfs/dbraw/zinc/75/46/06/476754606.db2.gz NDWSVEQNXJGYFK-UHFFFAOYSA-N 0 0 344.758 2.703 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456838527 476756613 /nfs/dbraw/zinc/75/66/13/476756613.db2.gz OEEPTLFCEWJUTR-CQSZACIVSA-N 0 0 348.309 2.828 10 5 EFBERN COC(=O)c1cc(N2CCc3ncsc3C2)cc(C)c1[N+](=O)[O-] ZINC000445674612 476759784 /nfs/dbraw/zinc/75/97/84/476759784.db2.gz UOGJAWRFOAXDFH-UHFFFAOYSA-N 0 0 333.369 2.709 10 5 EFBERN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430207900 476781858 /nfs/dbraw/zinc/78/18/58/476781858.db2.gz NQLBBDGFFTWQJC-INIZCTEOSA-N 0 0 330.340 2.607 10 5 EFBERN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CCN1CC(F)F ZINC000430209820 476782192 /nfs/dbraw/zinc/78/21/92/476782192.db2.gz RWNZUEORDIDQLM-ZDUSSCGKSA-N 0 0 343.374 2.765 10 5 EFBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000370390839 476786910 /nfs/dbraw/zinc/78/69/10/476786910.db2.gz OFZKYEXDZLXVLV-PIGZYNQJSA-N 0 0 341.367 2.641 10 5 EFBERN O=C(N[C@@H]1CC12CCCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000430255642 476794642 /nfs/dbraw/zinc/79/46/42/476794642.db2.gz JASLKRZXELLXFL-OAHLLOKOSA-N 0 0 326.356 2.843 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@]2(C1)CCCOC2 ZINC000375380664 476806760 /nfs/dbraw/zinc/80/67/60/476806760.db2.gz QVVOYTNJACZOET-SFHVURJKSA-N 0 0 341.367 2.786 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](C)[C@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000413956195 476808670 /nfs/dbraw/zinc/80/86/70/476808670.db2.gz MLJQPSKWZCEIFN-GTNSWQLSSA-N 0 0 336.388 2.927 10 5 EFBERN C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)[C@@H](C)O1 ZINC000446070029 476817804 /nfs/dbraw/zinc/81/78/04/476817804.db2.gz JAYZUCHSWLTKSA-GRYCIOLGSA-N 0 0 332.360 2.643 10 5 EFBERN Cc1cc(C(=O)N2CCN[C@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000456991182 476820693 /nfs/dbraw/zinc/82/06/93/476820693.db2.gz LYKGIWBMLKCKEB-KRWDZBQOSA-N 0 0 325.368 2.690 10 5 EFBERN Cc1cc(OCC(=O)N[C@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000430402212 476828589 /nfs/dbraw/zinc/82/85/89/476828589.db2.gz NFXRKHITHPMMJM-CVEARBPZSA-N 0 0 326.352 2.954 10 5 EFBERN COC[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000457017718 476830952 /nfs/dbraw/zinc/83/09/52/476830952.db2.gz AEXUJZBLYIWYIK-AWEZNQCLSA-N 0 0 345.399 2.825 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN[C@H](c2ccccc2)C1 ZINC000457021540 476833834 /nfs/dbraw/zinc/83/38/34/476833834.db2.gz MNUQKFDBZNXFTF-SFHVURJKSA-N 0 0 339.395 2.701 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCCC2 ZINC000370496833 476840203 /nfs/dbraw/zinc/84/02/03/476840203.db2.gz WNKNXBJBMMCLCT-UHFFFAOYSA-N 0 0 328.324 2.937 10 5 EFBERN COC[C@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000457041718 476842761 /nfs/dbraw/zinc/84/27/61/476842761.db2.gz MZRDJNQDBUMOSX-AWEZNQCLSA-N 0 0 348.399 2.833 10 5 EFBERN COc1cc(F)cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000457051408 476847506 /nfs/dbraw/zinc/84/75/06/476847506.db2.gz HQCGMKSKJIJHFH-JTQLQIEISA-N 0 0 347.346 2.807 10 5 EFBERN COc1cc2c(cc1OC)CCN(c1ccc([N+](=O)[O-])c(C)n1)CC2 ZINC000370530782 476857559 /nfs/dbraw/zinc/85/75/59/476857559.db2.gz HREXNXSIJSSTLX-UHFFFAOYSA-N 0 0 343.383 2.921 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000446301461 476858903 /nfs/dbraw/zinc/85/89/03/476858903.db2.gz YWFMNWCJQMNVAM-WDEREUQCSA-N 0 0 325.796 2.721 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000414063091 476860352 /nfs/dbraw/zinc/86/03/52/476860352.db2.gz XMDMFNLVNIDOKJ-JQWIXIFHSA-N 0 0 326.780 2.838 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000370539165 476860833 /nfs/dbraw/zinc/86/08/33/476860833.db2.gz QTQKRPOWBMFIRW-UHFFFAOYSA-N 0 0 325.324 2.625 10 5 EFBERN Cc1c(C(=O)N2CC[C@@H](C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000446334690 476863028 /nfs/dbraw/zinc/86/30/28/476863028.db2.gz VYORFOOSZMFWMB-CYBMUJFWSA-N 0 0 343.387 2.602 10 5 EFBERN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1)c1cccs1 ZINC000366118686 476870638 /nfs/dbraw/zinc/87/06/38/476870638.db2.gz JUCUPUMVTMAPBP-LLVKDONJSA-N 0 0 345.380 2.929 10 5 EFBERN Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1OCCO ZINC000446415253 476874140 /nfs/dbraw/zinc/87/41/40/476874140.db2.gz AXDXVUFYZCBQCW-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCc2c(F)cccc21 ZINC000452192523 476877345 /nfs/dbraw/zinc/87/73/45/476877345.db2.gz LPWMYPVJVHROOA-OAHLLOKOSA-N 0 0 332.335 2.514 10 5 EFBERN Cn1cc(C(=O)N2CCC[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452194629 476878276 /nfs/dbraw/zinc/87/82/76/476878276.db2.gz MHPHHCZZKSJHKG-QGZVFWFLSA-N 0 0 346.362 2.960 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](c2ccsc2)O1 ZINC000366139284 476878906 /nfs/dbraw/zinc/87/89/06/476878906.db2.gz CPGUFJGFSOFLNP-IINYFYTJSA-N 0 0 333.369 2.654 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCCN(c3ncccc3F)CC2)cs1 ZINC000375532565 476884387 /nfs/dbraw/zinc/88/43/87/476884387.db2.gz HKOYJWWCBGXUGJ-UHFFFAOYSA-N 0 0 336.392 2.903 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(OCCO)c1 ZINC000446572146 476887313 /nfs/dbraw/zinc/88/73/13/476887313.db2.gz MKBHVWQCWQRDON-UHFFFAOYSA-N 0 0 346.339 2.535 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375583447 476902692 /nfs/dbraw/zinc/90/26/92/476902692.db2.gz REFSGEREUOJPBO-SECBINFHSA-N 0 0 334.357 2.546 10 5 EFBERN C[C@@H]1C[C@@H](O)CN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401917902 476905607 /nfs/dbraw/zinc/90/56/07/476905607.db2.gz VBLGBPFMVDXSKI-BXKDBHETSA-N 0 0 329.194 2.560 10 5 EFBERN Cc1cccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1[N+](=O)[O-] ZINC000375593964 476906945 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O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000425163250 477654205 /nfs/dbraw/zinc/65/42/05/477654205.db2.gz VYQADCNVXZYUCM-AKZRSSKFSA-N 0 0 325.162 2.886 10 5 EFBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[C@H](F)C1 ZINC000425173372 477659499 /nfs/dbraw/zinc/65/94/99/477659499.db2.gz AVYGXUKPTMWDNK-QWRGUYRKSA-N 0 0 333.323 2.847 10 5 EFBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[C@@H](F)C1 ZINC000425173368 477659684 /nfs/dbraw/zinc/65/96/84/477659684.db2.gz AVYGXUKPTMWDNK-GHMZBOCLSA-N 0 0 333.323 2.847 10 5 EFBERN CSc1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000450631675 477662076 /nfs/dbraw/zinc/66/20/76/477662076.db2.gz GFJIGYUDDLMJIK-UHFFFAOYSA-N 0 0 329.381 2.910 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000377144257 477663546 /nfs/dbraw/zinc/66/35/46/477663546.db2.gz ZTIKTLVVNIFMTK-LXIYXOSZSA-N 0 0 348.399 2.960 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(N2CC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000450641581 477665400 /nfs/dbraw/zinc/66/54/00/477665400.db2.gz FZHPJMYBJCZZGR-ZDUSSCGKSA-N 0 0 326.356 2.548 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000450654327 477670425 /nfs/dbraw/zinc/67/04/25/477670425.db2.gz VKMHXBDJZGNURI-ZKYQVNSYSA-N 0 0 326.780 2.614 10 5 EFBERN Cc1nc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000450660307 477673693 /nfs/dbraw/zinc/67/36/93/477673693.db2.gz SKLZQHMTMAJWCP-WMLDXEAASA-N 0 0 331.347 2.603 10 5 EFBERN Cc1nc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000450660305 477674343 /nfs/dbraw/zinc/67/43/43/477674343.db2.gz SKLZQHMTMAJWCP-PBHICJAKSA-N 0 0 331.347 2.603 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450663837 477675030 /nfs/dbraw/zinc/67/50/30/477675030.db2.gz YQKRPNAXLVRDSC-DOTOQJQBSA-N 0 0 331.347 2.603 10 5 EFBERN Cn1nccc1C1=CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000377168176 477675051 /nfs/dbraw/zinc/67/50/51/477675051.db2.gz PWCSXLNYWSHPNR-UHFFFAOYSA-N 0 0 346.774 2.911 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1COc2ccc(F)cc2C1 ZINC000377174636 477678028 /nfs/dbraw/zinc/67/80/28/477678028.db2.gz HPTRHFYQIGNTLD-CQSZACIVSA-N 0 0 345.330 2.537 10 5 EFBERN CO[C@@H](Cc1ccccc1)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450690095 477683515 /nfs/dbraw/zinc/68/35/15/477683515.db2.gz GEVWMKBDZSUCLC-KRWDZBQOSA-N 0 0 327.384 2.606 10 5 EFBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC2(C1)CCOCC2 ZINC000367773760 477683545 /nfs/dbraw/zinc/68/35/45/477683545.db2.gz VMEYYWVQRUUJQW-UHFFFAOYSA-N 0 0 325.752 2.893 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000372190016 477685262 /nfs/dbraw/zinc/68/52/62/477685262.db2.gz CXKXJWHNDDARMS-UHFFFAOYSA-N 0 0 349.350 2.564 10 5 EFBERN COC(=O)c1cc(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc(C)c1[N+](=O)[O-] ZINC000450714802 477694293 /nfs/dbraw/zinc/69/42/93/477694293.db2.gz YFCJTKYAKTYVHC-BMFZPTHFSA-N 0 0 348.399 2.820 10 5 EFBERN Cc1c(CNC(=O)N2CCO[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000413478980 477694890 /nfs/dbraw/zinc/69/48/90/477694890.db2.gz IJMLVNYUHIJZTP-MRXNPFEDSA-N 0 0 333.388 2.614 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000372267620 477724115 /nfs/dbraw/zinc/72/41/15/477724115.db2.gz LUXHNDIPQFRTCB-GFCCVEGCSA-N 0 0 330.735 2.963 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2nnc(C3CC3)s2)c1 ZINC000450817326 477728961 /nfs/dbraw/zinc/72/89/61/477728961.db2.gz XVJNXTGYUZCAPB-UHFFFAOYSA-N 0 0 335.341 2.689 10 5 EFBERN CCc1ncc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])o1 ZINC000450848585 477737207 /nfs/dbraw/zinc/73/72/07/477737207.db2.gz SEXLIPVDVSSDAN-UHFFFAOYSA-N 0 0 332.360 2.896 10 5 EFBERN COC(=O)c1cnc(N[C@@H]2C[C@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000450852385 477737815 /nfs/dbraw/zinc/73/78/15/477737815.db2.gz CYBDKJDVZUTINW-UONOGXRCSA-N 0 0 343.339 2.753 10 5 EFBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC([C@H]2CCOC2)C1 ZINC000377325510 477740274 /nfs/dbraw/zinc/74/02/74/477740274.db2.gz YCFPDAMYPDZQDJ-ZDUSSCGKSA-N 0 0 348.402 2.790 10 5 EFBERN COC(=O)[C@]1(C)CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000413588208 477741282 /nfs/dbraw/zinc/74/12/82/477741282.db2.gz IBVIVGUPOOHAEJ-QGZVFWFLSA-N 0 0 329.356 2.923 10 5 EFBERN CC(C)N(C[C@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000413596388 477743430 /nfs/dbraw/zinc/74/34/30/477743430.db2.gz RGUPIZPUMQGWKS-SNVBAGLBSA-N 0 0 343.330 2.690 10 5 EFBERN CCOc1ccc(C(=O)NCc2cc(CC)ccn2)cc1[N+](=O)[O-] ZINC000437707734 477744243 /nfs/dbraw/zinc/74/42/43/477744243.db2.gz VJPQDJUIHXIIRX-UHFFFAOYSA-N 0 0 329.356 2.881 10 5 EFBERN CC1(C)COC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459099392 477745083 /nfs/dbraw/zinc/74/50/83/477745083.db2.gz BWIYJNDZZDOGRE-HNNXBMFYSA-N 0 0 333.388 2.694 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459099393 477745322 /nfs/dbraw/zinc/74/53/22/477745322.db2.gz BWIYJNDZZDOGRE-OAHLLOKOSA-N 0 0 333.388 2.694 10 5 EFBERN CCOc1cccc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000450875009 477745337 /nfs/dbraw/zinc/74/53/37/477745337.db2.gz FCVLGQKNOHYLAK-ZANVPECISA-N 0 0 334.294 2.743 10 5 EFBERN CC(=O)c1cc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000450880256 477747633 /nfs/dbraw/zinc/74/76/33/477747633.db2.gz KUTRPIDAJSFWMA-ZANVPECISA-N 0 0 332.278 2.547 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@]3(CCOC3)C2)c(Br)c1 ZINC000450881900 477747868 /nfs/dbraw/zinc/74/78/68/477747868.db2.gz MQOHAEDASUNLKF-ZDUSSCGKSA-N 0 0 342.193 2.759 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413605832 477748689 /nfs/dbraw/zinc/74/86/89/477748689.db2.gz OVBCTODKPTUYTK-ZDUSSCGKSA-N 0 0 333.367 2.950 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000372326008 477757507 /nfs/dbraw/zinc/75/75/07/477757507.db2.gz MTFPTOJFGJUXIM-UKRRQHHQSA-N 0 0 328.372 2.621 10 5 EFBERN COC1CCC(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000426894669 477757986 /nfs/dbraw/zinc/75/79/86/477757986.db2.gz CXTVGNFHRAADFF-UHFFFAOYSA-N 0 0 342.417 2.615 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000427118813 477764509 /nfs/dbraw/zinc/76/45/09/477764509.db2.gz BNYCFBYHWBHXSD-ZDUSSCGKSA-N 0 0 332.335 2.928 10 5 EFBERN COC[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000450943723 477769656 /nfs/dbraw/zinc/76/96/56/477769656.db2.gz IRDRIBNXPMMMEB-CYBMUJFWSA-N 0 0 336.388 2.943 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000427262711 477771641 /nfs/dbraw/zinc/77/16/41/477771641.db2.gz LPEVDSLRCBFIIO-KBPBESRZSA-N 0 0 338.429 2.968 10 5 EFBERN C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000451001470 477787254 /nfs/dbraw/zinc/78/72/54/477787254.db2.gz HYBKUBUROKOHOP-FRRDWIJNSA-N 0 0 334.372 2.582 10 5 EFBERN COc1ccc(OC)c(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000427982272 477798965 /nfs/dbraw/zinc/79/89/65/477798965.db2.gz IHSSLLPMIJUDCE-UHFFFAOYSA-N 0 0 328.328 2.522 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@H](CCCO)c3ccccc3)nc2c1 ZINC000427990590 477800475 /nfs/dbraw/zinc/80/04/75/477800475.db2.gz IOYAQMQODDPKOJ-CQSZACIVSA-N 0 0 326.356 2.819 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368370320 477800735 /nfs/dbraw/zinc/80/07/35/477800735.db2.gz KRSKOBLGGMUJFJ-MRXNPFEDSA-N 0 0 349.431 2.986 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000456159984 477803199 /nfs/dbraw/zinc/80/31/99/477803199.db2.gz OSTLMAVINAQQCW-UHFFFAOYSA-N 0 0 342.351 2.947 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000456167534 477805167 /nfs/dbraw/zinc/80/51/67/477805167.db2.gz YSGAPVLAQUGOII-BBRMVZONSA-N 0 0 335.404 2.574 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000456167535 477805473 /nfs/dbraw/zinc/80/54/73/477805473.db2.gz YSGAPVLAQUGOII-CJNGLKHVSA-N 0 0 335.404 2.574 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2cccnc2C)c1C ZINC000451058549 477806335 /nfs/dbraw/zinc/80/63/35/477806335.db2.gz BBQVXEUTEZNAHG-UHFFFAOYSA-N 0 0 335.385 2.740 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000456184651 477811434 /nfs/dbraw/zinc/81/14/34/477811434.db2.gz SPZAAGTVDHVICV-OLZOCXBDSA-N 0 0 346.339 2.803 10 5 EFBERN COc1ccc(CSCC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000428103928 477820225 /nfs/dbraw/zinc/82/02/25/477820225.db2.gz PNIZZJZVYSMQGM-ATCWAGBWSA-N 0 0 336.413 2.751 10 5 EFBERN Cc1ccc2[nH]c(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)nc2c1 ZINC000557808478 477825770 /nfs/dbraw/zinc/82/57/70/477825770.db2.gz STKJBMOSLCSXKB-UHFFFAOYSA-N 0 0 340.295 2.761 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000515474679 477828177 /nfs/dbraw/zinc/82/81/77/477828177.db2.gz ZWRRSOIOJOZOTD-CYBMUJFWSA-N 0 0 349.391 2.520 10 5 EFBERN O=C(CN1CCC2(CCC(O)CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451154075 477850352 /nfs/dbraw/zinc/85/03/52/477850352.db2.gz KYNVGLCNSAZSNM-UHFFFAOYSA-N 0 0 347.415 2.550 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000460637366 477862266 /nfs/dbraw/zinc/86/22/66/477862266.db2.gz PXIWKHLYJAGLJG-UHFFFAOYSA-N 0 0 338.410 2.970 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000438602402 477871927 /nfs/dbraw/zinc/87/19/27/477871927.db2.gz YCTOLFGGVWEDNJ-JTQLQIEISA-N 0 0 340.339 2.971 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000438615927 477873114 /nfs/dbraw/zinc/87/31/14/477873114.db2.gz CPLRSKAWKFLDPS-JTQLQIEISA-N 0 0 340.339 2.971 10 5 EFBERN COc1cnccc1[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000438615929 477873486 /nfs/dbraw/zinc/87/34/86/477873486.db2.gz CPLRSKAWKFLDPS-SNVBAGLBSA-N 0 0 340.339 2.971 10 5 EFBERN COc1ccc(CC(=O)N2CCCC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000558604553 477895135 /nfs/dbraw/zinc/89/51/35/477895135.db2.gz LUQFWFFHDZBOFG-LLVKDONJSA-N 0 0 328.315 2.792 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@H](C)[C@@H](C)O1 ZINC000451236227 477895964 /nfs/dbraw/zinc/89/59/64/477895964.db2.gz RSYWBVZFBDZNOA-IJLUTSLNSA-N 0 0 344.371 2.623 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456379130 477898896 /nfs/dbraw/zinc/89/88/96/477898896.db2.gz LNJBQKQVYQZZHM-ZYHUDNBSSA-N 0 0 330.344 2.626 10 5 EFBERN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1c(F)cccc1Cl ZINC000438995687 477916499 /nfs/dbraw/zinc/91/64/99/477916499.db2.gz CFQAJFMZKGAHQA-UHFFFAOYSA-N 0 0 345.739 2.607 10 5 EFBERN COc1cccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000494148279 477933488 /nfs/dbraw/zinc/93/34/88/477933488.db2.gz HZRAMQZIRKJYSM-LBPRGKRZSA-N 0 0 344.367 2.973 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000439139356 477934022 /nfs/dbraw/zinc/93/40/22/477934022.db2.gz MDBUJRNPFPTVCT-UHFFFAOYSA-N 0 0 347.758 2.586 10 5 EFBERN Cn1c(C(=O)NCc2cccc(-c3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000439185917 477941185 /nfs/dbraw/zinc/94/11/85/477941185.db2.gz KMVMFCWDKJDTHE-UHFFFAOYSA-N 0 0 336.351 2.925 10 5 EFBERN COc1ccc(NC(=O)N2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421090177 477955978 /nfs/dbraw/zinc/95/59/78/477955978.db2.gz OBXKMYDBTBPTLI-LBPRGKRZSA-N 0 0 335.360 2.515 10 5 EFBERN COc1ccc(CC(=O)N[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000532633014 477962155 /nfs/dbraw/zinc/96/21/55/477962155.db2.gz SZNBSBUUDADORY-LLVKDONJSA-N 0 0 328.315 2.840 10 5 EFBERN O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451350867 477968832 /nfs/dbraw/zinc/96/88/32/477968832.db2.gz ZYHNTRPWCKILSG-YSVLISHTSA-N 0 0 347.415 2.549 10 5 EFBERN COc1cc(CN[C@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000439443926 477977065 /nfs/dbraw/zinc/97/70/65/477977065.db2.gz AXLWFJUBIWJZOS-INIZCTEOSA-N 0 0 339.355 2.601 10 5 EFBERN CCc1cccc(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000532776881 477987329 /nfs/dbraw/zinc/98/73/29/477987329.db2.gz CHGUXXGNQNVXBJ-UHFFFAOYSA-N 0 0 328.368 2.895 10 5 EFBERN Cn1c(C(=O)N[C@@H]2CCCN(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000456586903 477993738 /nfs/dbraw/zinc/99/37/38/477993738.db2.gz BFHUDQNBEPQMFA-CYBMUJFWSA-N 0 0 328.372 2.634 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H]2CCCN(C)c3ccccc32)c1[N+](=O)[O-] ZINC000456593899 477998386 /nfs/dbraw/zinc/99/83/86/477998386.db2.gz JSSFMHOQKCPXRL-CYBMUJFWSA-N 0 0 343.387 2.581 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000439553763 478002352 /nfs/dbraw/zinc/00/23/52/478002352.db2.gz SQLLFGXALFUDDH-IUCAKERBSA-N 0 0 346.309 2.869 10 5 EFBERN CCOC(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000494605638 478021535 /nfs/dbraw/zinc/02/15/35/478021535.db2.gz CMFXILOCFBOALD-RISCZKNCSA-N 0 0 337.376 2.543 10 5 EFBERN CC[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@H](CC)O1 ZINC000421258468 478021663 /nfs/dbraw/zinc/02/16/63/478021663.db2.gz FESJLNPSXVDEAG-GJZGRUSLSA-N 0 0 345.403 2.784 10 5 EFBERN CC1(C2(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 ZINC000456647238 478023598 /nfs/dbraw/zinc/02/35/98/478023598.db2.gz NCLFQBRUINOCBD-UHFFFAOYSA-N 0 0 326.356 2.843 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439921607 478049905 /nfs/dbraw/zinc/04/99/05/478049905.db2.gz OMNXDJFDNQOSCL-STQMWFEESA-N 0 0 343.383 2.965 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCOc1ccccc1[N+](=O)[O-] ZINC000533242072 478055485 /nfs/dbraw/zinc/05/54/85/478055485.db2.gz KVKAZULVXRRDMH-DZKIICNBSA-N 0 0 348.399 2.780 10 5 EFBERN COc1cc(C[N@H+](C)[C@@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000517161191 478057139 /nfs/dbraw/zinc/05/71/39/478057139.db2.gz PSNMAHLFRPUIGV-INIZCTEOSA-N 0 0 344.367 2.731 10 5 EFBERN CC[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421370577 478059611 /nfs/dbraw/zinc/05/96/11/478059611.db2.gz BXFDRRPHORSFLT-UAGQMJEPSA-N 0 0 344.415 2.965 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCCCO[C@H]1CCCCO1 ZINC000487729846 478067077 /nfs/dbraw/zinc/06/70/77/478067077.db2.gz ZNLKKTVHABMCQS-INIZCTEOSA-N 0 0 331.372 2.910 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])[C@]12CCCO2 ZINC000487747260 478069284 /nfs/dbraw/zinc/06/92/84/478069284.db2.gz HBDNGOCBRPYSKY-JFIYKMOQSA-N 0 0 343.383 2.703 10 5 EFBERN Cn1cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cn1 ZINC000487748559 478069379 /nfs/dbraw/zinc/06/93/79/478069379.db2.gz JAIYHRGABNMINU-LLVKDONJSA-N 0 0 346.240 2.501 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc2c(c1)OCCO2 ZINC000487896583 478082045 /nfs/dbraw/zinc/08/20/45/478082045.db2.gz LDBTUODAVYRICK-UHFFFAOYSA-N 0 0 337.335 2.948 10 5 EFBERN O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000421423651 478083754 /nfs/dbraw/zinc/08/37/54/478083754.db2.gz APALFENZHSNVNY-ZNMIVQPWSA-N 0 0 329.400 2.680 10 5 EFBERN CN(CCCNc1c2ccccc2ncc1[N+](=O)[O-])CC(F)(F)F ZINC000487928834 478086389 /nfs/dbraw/zinc/08/63/89/478086389.db2.gz AZZSIXMNANAPRY-UHFFFAOYSA-N 0 0 342.321 2.861 10 5 EFBERN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000421478849 478102356 /nfs/dbraw/zinc/10/23/56/478102356.db2.gz PSPREISZKHAOBU-ZDUSSCGKSA-N 0 0 330.388 2.571 10 5 EFBERN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccnn1C ZINC000421488413 478107291 /nfs/dbraw/zinc/10/72/91/478107291.db2.gz FTJHYQQABUKIIC-LBPRGKRZSA-N 0 0 328.372 2.623 10 5 EFBERN C[C@H](NS(=O)(=O)c1cccc(N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451588346 478109410 /nfs/dbraw/zinc/10/94/10/478109410.db2.gz PHIOPMNQUCEYFQ-LBPRGKRZSA-N 0 0 349.412 2.700 10 5 EFBERN COCCOC[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488046225 478111347 /nfs/dbraw/zinc/11/13/47/478111347.db2.gz FFQKGYVYDNPEPI-CYBMUJFWSA-N 0 0 331.372 2.632 10 5 EFBERN Cc1cc(F)ccc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488051621 478111829 /nfs/dbraw/zinc/11/18/29/478111829.db2.gz MDVBGLIVZKJQSE-MRXNPFEDSA-N 0 0 348.374 2.914 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421512810 478112841 /nfs/dbraw/zinc/11/28/41/478112841.db2.gz PKNORSOHAQOEHS-UHFFFAOYSA-N 0 0 327.340 2.954 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@](C)(F)C1 ZINC000451603417 478119927 /nfs/dbraw/zinc/11/99/27/478119927.db2.gz ZKQXRUHROYOXST-AWEZNQCLSA-N 0 0 330.381 2.724 10 5 EFBERN NC(=O)[C@@H]1CCCCC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000534310677 478140832 /nfs/dbraw/zinc/14/08/32/478140832.db2.gz UFEQNDYINUJTKO-TZMCWYRMSA-N 0 0 328.372 2.989 10 5 EFBERN CCCCCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c(C)n1 ZINC000534318154 478143174 /nfs/dbraw/zinc/14/31/74/478143174.db2.gz WJAHSQJAZQPAQK-UHFFFAOYSA-N 0 0 331.376 2.615 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnc(-c3ccccc3)s2)n1 ZINC000534348974 478149528 /nfs/dbraw/zinc/14/95/28/478149528.db2.gz BZAVUNXEDHOFMY-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN CNc1ccc(C(=O)N(C)CCc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000534369539 478151932 /nfs/dbraw/zinc/15/19/32/478151932.db2.gz CVIQYKBSADETPL-UHFFFAOYSA-N 0 0 334.401 2.716 10 5 EFBERN COc1cccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000488670776 478169330 /nfs/dbraw/zinc/16/93/30/478169330.db2.gz CABMUQMVTABBFT-UHFFFAOYSA-N 0 0 344.371 2.733 10 5 EFBERN CNc1ccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000534939477 478179817 /nfs/dbraw/zinc/17/98/17/478179817.db2.gz YXXCEKMVATZGCW-GFCCVEGCSA-N 0 0 341.367 2.567 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)Cc2ccccc2)c1 ZINC000440976094 478181362 /nfs/dbraw/zinc/18/13/62/478181362.db2.gz HJMNGISUVFASKE-GFCCVEGCSA-N 0 0 342.351 2.534 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)Cc1ccccc1 ZINC000440983136 478183254 /nfs/dbraw/zinc/18/32/54/478183254.db2.gz BOZWSHHPNFFMSL-GFCCVEGCSA-N 0 0 342.351 2.534 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000561425114 478183810 /nfs/dbraw/zinc/18/38/10/478183810.db2.gz DNFFWVNBEWWKEA-KRWDZBQOSA-N 0 0 340.427 2.970 10 5 EFBERN Cc1c(C(=O)N[C@@H](C)C(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000441003580 478185738 /nfs/dbraw/zinc/18/57/38/478185738.db2.gz VRNVEGKZWXNZEJ-ZDUSSCGKSA-N 0 0 326.352 2.833 10 5 EFBERN CC(C)Oc1ccc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000535046490 478192020 /nfs/dbraw/zinc/19/20/20/478192020.db2.gz FOHXIXQDOCELHI-UHFFFAOYSA-N 0 0 341.371 2.501 10 5 EFBERN C[C@@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)n1ccnc1 ZINC000518781404 478192065 /nfs/dbraw/zinc/19/20/65/478192065.db2.gz GBNHDESULQDCAF-LBPRGKRZSA-N 0 0 341.371 2.583 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000451759157 478193163 /nfs/dbraw/zinc/19/31/63/478193163.db2.gz DAMRKPDDIXQRBZ-RMRKRWHISA-N 0 0 348.424 2.736 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451768223 478196451 /nfs/dbraw/zinc/19/64/51/478196451.db2.gz YKRRXDSOUXMTOU-RMRKRWHISA-N 0 0 348.424 2.736 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1 ZINC000488895258 478197010 /nfs/dbraw/zinc/19/70/10/478197010.db2.gz WITROVFGXGBYBF-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN CC(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000561709990 478200654 /nfs/dbraw/zinc/20/06/54/478200654.db2.gz YHIMDOVEVOGLBY-OAHLLOKOSA-N 0 0 347.418 2.986 10 5 EFBERN CSC1(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000561719335 478200860 /nfs/dbraw/zinc/20/08/60/478200860.db2.gz YCRHAZXWEGXTMI-UHFFFAOYSA-N 0 0 348.428 2.813 10 5 EFBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NC1CCCCCC1 ZINC000535245365 478203047 /nfs/dbraw/zinc/20/30/47/478203047.db2.gz GAGCXJLODMTBAU-UHFFFAOYSA-N 0 0 331.416 2.792 10 5 EFBERN Cc1cc(C(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c(C)n1C ZINC000535250128 478204006 /nfs/dbraw/zinc/20/40/06/478204006.db2.gz CFLOZOHBKMQCAH-UHFFFAOYSA-N 0 0 327.384 2.791 10 5 EFBERN CCC[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OCC ZINC000561847581 478205844 /nfs/dbraw/zinc/20/58/44/478205844.db2.gz QPUCKJQDTKIQIC-MRXNPFEDSA-N 0 0 333.388 2.940 10 5 EFBERN O=C(NCC1(CCO)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000519071720 478206980 /nfs/dbraw/zinc/20/69/80/478206980.db2.gz CGKJGQJPISHOML-UHFFFAOYSA-N 0 0 336.391 2.574 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000519131970 478211192 /nfs/dbraw/zinc/21/11/92/478211192.db2.gz ZHJWNOWVYZSNNO-CQSZACIVSA-N 0 0 331.347 2.920 10 5 EFBERN 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2.643 10 5 EFBERN CC(C)(C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)n1cccn1 ZINC000597722150 478480813 /nfs/dbraw/zinc/48/08/13/478480813.db2.gz BRFUMZIQMUTAGG-HNNXBMFYSA-N 0 0 342.399 2.933 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597725832 478481797 /nfs/dbraw/zinc/48/17/97/478481797.db2.gz BMGULAPVDQSQGP-OAHLLOKOSA-N 0 0 341.371 2.870 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000597728288 478482802 /nfs/dbraw/zinc/48/28/02/478482802.db2.gz SQSMWHLWKLQKTO-NSHDSACASA-N 0 0 343.387 2.882 10 5 EFBERN COc1cc(C(=O)N2CCC[C@H]2c2cn[nH]c2)cc([N+](=O)[O-])c1C ZINC000597729862 478484713 /nfs/dbraw/zinc/48/47/13/478484713.db2.gz QRLHAYAEEHJUIC-ZDUSSCGKSA-N 0 0 330.344 2.612 10 5 EFBERN O=C(NCC1CSC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597747841 478488059 /nfs/dbraw/zinc/48/80/59/478488059.db2.gz ZBMBXYOIQQFGRY-UHFFFAOYSA-N 0 0 329.381 2.750 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CCOC2 ZINC000594696888 478502067 /nfs/dbraw/zinc/50/20/67/478502067.db2.gz PPLRLZZVFXNTJW-UHFFFAOYSA-N 0 0 348.380 2.777 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1CNc1ccn(C2CCOCC2)n1 ZINC000594707731 478505604 /nfs/dbraw/zinc/50/56/04/478505604.db2.gz XDFIKYDMIUOLDA-UHFFFAOYSA-N 0 0 346.387 2.576 10 5 EFBERN CCN1CC[C@@H](Nc2cc(Br)cc([N+](=O)[O-])c2C)C1=O ZINC000594708323 478506220 /nfs/dbraw/zinc/50/62/20/478506220.db2.gz SRJFUONYDQFPOF-SNVBAGLBSA-N 0 0 342.193 2.698 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)CCN(C)C2=O ZINC000594707934 478506321 /nfs/dbraw/zinc/50/63/21/478506321.db2.gz ODZLRHOMAATZGO-UHFFFAOYSA-N 0 0 341.367 2.844 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(Cc2cccs2)C1 ZINC000600758715 478506817 /nfs/dbraw/zinc/50/68/17/478506817.db2.gz BBKAPZWUUOVKEX-UHFFFAOYSA-N 0 0 332.381 2.980 10 5 EFBERN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cscn1 ZINC000594710372 478507781 /nfs/dbraw/zinc/50/77/81/478507781.db2.gz IDIQRXSWDHWNBT-ZWNOBZJWSA-N 0 0 332.385 2.507 10 5 EFBERN CCC(O)(CC)CN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600767532 478510821 /nfs/dbraw/zinc/51/08/21/478510821.db2.gz RHQCDHUGXHRYON-UHFFFAOYSA-N 0 0 346.330 2.819 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC2(CC2)CC1 ZINC000600769288 478511979 /nfs/dbraw/zinc/51/19/79/478511979.db2.gz LJMSKHNKGXGODD-UHFFFAOYSA-N 0 0 332.356 2.772 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000600770649 478512109 /nfs/dbraw/zinc/51/21/09/478512109.db2.gz BBKOGXBUEIPYCG-LBPRGKRZSA-N 0 0 344.371 2.606 10 5 EFBERN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCC2(CC2)CC1 ZINC000600769219 478512187 /nfs/dbraw/zinc/51/21/87/478512187.db2.gz RIIVSGGMVFEBRA-ZDUSSCGKSA-N 0 0 349.435 2.620 10 5 EFBERN COC(=O)c1cc(C(=O)N2CCCC3(CC3)CC2)cc([N+](=O)[O-])c1 ZINC000600768288 478512966 /nfs/dbraw/zinc/51/29/66/478512966.db2.gz FMXXNPOTHQVWEI-UHFFFAOYSA-N 0 0 332.356 2.788 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600776665 478515441 /nfs/dbraw/zinc/51/54/41/478515441.db2.gz WXBVAQFWZRQRBC-AWEZNQCLSA-N 0 0 342.351 2.695 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600796582 478525397 /nfs/dbraw/zinc/52/53/97/478525397.db2.gz HIWKBGCVPDAKTF-DTORHVGOSA-N 0 0 343.177 2.512 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000600796666 478525893 /nfs/dbraw/zinc/52/58/93/478525893.db2.gz IENINHVPGUTQRN-WAAGHKOSSA-N 0 0 332.278 2.768 10 5 EFBERN O=C(NC[C@H]1CCCC12CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600804704 478527977 /nfs/dbraw/zinc/52/79/77/478527977.db2.gz OYLSGOYXXSSIST-LLVKDONJSA-N 0 0 332.356 2.676 10 5 EFBERN CCCN(CC1CCCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594751588 478530075 /nfs/dbraw/zinc/53/00/75/478530075.db2.gz XOZYDCRLEIWMJS-UHFFFAOYSA-N 0 0 341.433 2.971 10 5 EFBERN Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594751393 478530135 /nfs/dbraw/zinc/53/01/35/478530135.db2.gz VZEYCOSNQQTPMM-GFCCVEGCSA-N 0 0 335.385 2.680 10 5 EFBERN Cc1cccc(C(C)(C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594755335 478531293 /nfs/dbraw/zinc/53/12/93/478531293.db2.gz VRSIRWJGFULNHS-UHFFFAOYSA-N 0 0 335.385 2.512 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCCNC(=O)NC2CCCCC2)n1 ZINC000571151674 478531216 /nfs/dbraw/zinc/53/12/16/478531216.db2.gz GAEOEACQGJBHJG-UHFFFAOYSA-N 0 0 335.408 2.650 10 5 EFBERN C[C@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753198 478531883 /nfs/dbraw/zinc/53/18/83/478531883.db2.gz HYOMNMJAACESJI-JSGCOSHPSA-N 0 0 347.396 2.557 10 5 EFBERN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594755662 478532029 /nfs/dbraw/zinc/53/20/29/478532029.db2.gz XXHPUWJYTNMBLU-CYBMUJFWSA-N 0 0 349.412 2.550 10 5 EFBERN CCCCC[C@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763755 478534751 /nfs/dbraw/zinc/53/47/51/478534751.db2.gz ACEYGHRRHILITI-LBPRGKRZSA-N 0 0 327.406 2.723 10 5 EFBERN CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764329 478535765 /nfs/dbraw/zinc/53/57/65/478535765.db2.gz KHFRODVZFVUCEA-RYUDHWBXSA-N 0 0 327.406 2.579 10 5 EFBERN O=[N+]([O-])c1cncc(I)c1N1CCC2(CC2)C1 ZINC000591366601 478536646 /nfs/dbraw/zinc/53/66/46/478536646.db2.gz ONIYRQHKJQJMQA-UHFFFAOYSA-N 0 0 345.140 2.585 10 5 EFBERN Cc1sc(C(=O)N(C)[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000597855426 478542645 /nfs/dbraw/zinc/54/26/45/478542645.db2.gz BUWVSADPCBMZIB-ZDUSSCGKSA-N 0 0 334.397 2.640 10 5 EFBERN Cc1sc(C(=O)N(C)[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000597855425 478542916 /nfs/dbraw/zinc/54/29/16/478542916.db2.gz BUWVSADPCBMZIB-CYBMUJFWSA-N 0 0 334.397 2.640 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)c2ccccn2)c1C ZINC000594797366 478544846 /nfs/dbraw/zinc/54/48/46/478544846.db2.gz UYLXWKKRVRSWOG-GFCCVEGCSA-N 0 0 349.412 2.689 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)c2ccccn2)c1C ZINC000594796783 478544986 /nfs/dbraw/zinc/54/49/86/478544986.db2.gz SLTJUVSRQCLMSX-LBPRGKRZSA-N 0 0 349.412 2.689 10 5 EFBERN CCC(C)(C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000594812985 478548540 /nfs/dbraw/zinc/54/85/40/478548540.db2.gz KJCFUYMAHDMSQO-JTQLQIEISA-N 0 0 330.406 2.706 10 5 EFBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCCC2(CCCC2)CC1 ZINC000594812487 478548688 /nfs/dbraw/zinc/54/86/88/478548688.db2.gz GOILOCFRUYJSOL-UHFFFAOYSA-N 0 0 339.417 2.725 10 5 EFBERN CCC(C)(C)[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000594814823 478549234 /nfs/dbraw/zinc/54/92/34/478549234.db2.gz ZQRWDWQNLKDSIO-GFCCVEGCSA-N 0 0 328.434 2.881 10 5 EFBERN CCC(C)(C)[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594814829 478549898 /nfs/dbraw/zinc/54/98/98/478549898.db2.gz ZSIMIADRIUJTNC-VIFPVBQESA-N 0 0 348.396 2.846 10 5 EFBERN CCC(C)(C)[C@@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594814828 478550029 /nfs/dbraw/zinc/55/00/29/478550029.db2.gz ZSIMIADRIUJTNC-SECBINFHSA-N 0 0 348.396 2.846 10 5 EFBERN COc1cc(C(=O)NC[C@H](C)c2ccccn2)cc([N+](=O)[O-])c1C ZINC000597863114 478550060 /nfs/dbraw/zinc/55/00/60/478550060.db2.gz GKBUTFAKOMBSKI-NSHDSACASA-N 0 0 329.356 2.840 10 5 EFBERN Cc1cc(OCC(=O)NC[C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000597866368 478550834 /nfs/dbraw/zinc/55/08/34/478550834.db2.gz WOYSMXWDSWLNAM-CYBMUJFWSA-N 0 0 329.356 2.597 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(C2CCC2)CC1 ZINC000594820712 478550889 /nfs/dbraw/zinc/55/08/89/478550889.db2.gz GMGYLZDACQROES-UHFFFAOYSA-N 0 0 338.429 2.937 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2cncc3c2CCCC3)c1[N+](=O)[O-] ZINC000597868757 478552618 /nfs/dbraw/zinc/55/26/18/478552618.db2.gz DCQBEVPKBDLNHT-UHFFFAOYSA-N 0 0 329.360 2.797 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCCc2noc3ccccc23)c1[N+](=O)[O-] ZINC000597874044 478555056 /nfs/dbraw/zinc/55/50/56/478555056.db2.gz MFBAHLCNKDPPLB-UHFFFAOYSA-N 0 0 343.343 2.555 10 5 EFBERN CNc1nccc(C(=O)N[C@H]2CCCC23CCCCC3)c1[N+](=O)[O-] ZINC000597875610 478556376 /nfs/dbraw/zinc/55/63/76/478556376.db2.gz ZDMBSQHTHUCUIR-ZDUSSCGKSA-N 0 0 332.404 2.686 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(C)CC2(F)F)c1C ZINC000594851253 478559952 /nfs/dbraw/zinc/55/99/52/478559952.db2.gz IHWVEUAVTDNYBF-GFCCVEGCSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@H](CCF)C2)c(C)cc1[N+](=O)[O-] ZINC000594855216 478561558 /nfs/dbraw/zinc/56/15/58/478561558.db2.gz DAMWGIZBDXXGIQ-CYBMUJFWSA-N 0 0 344.408 2.972 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594856072 478561773 /nfs/dbraw/zinc/56/17/73/478561773.db2.gz JCAVJJQDQSQNTJ-GFCCVEGCSA-N 0 0 330.381 2.664 10 5 EFBERN Cc1ccc(S(=O)(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594856103 478561913 /nfs/dbraw/zinc/56/19/13/478561913.db2.gz FKJLJOVDWPGFKK-LBPRGKRZSA-N 0 0 334.344 2.617 10 5 EFBERN CC(C)c1ccc(C(=O)Nc2nnc(C3CC3)n2C)cc1[N+](=O)[O-] ZINC000597896902 478562325 /nfs/dbraw/zinc/56/23/25/478562325.db2.gz CJOKSSUCUSHVRE-UHFFFAOYSA-N 0 0 329.360 2.976 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@]1(C)CC1(F)F ZINC000594857806 478563079 /nfs/dbraw/zinc/56/30/79/478563079.db2.gz OGARKJMONPSOFV-CYBMUJFWSA-N 0 0 348.371 2.871 10 5 EFBERN CC[C@](C)(NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000594860364 478564334 /nfs/dbraw/zinc/56/43/34/478564334.db2.gz CFFKDPGVDSKPJB-AWEZNQCLSA-N 0 0 346.380 2.600 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCC2(CC2(F)F)CC1 ZINC000594870655 478569151 /nfs/dbraw/zinc/56/91/51/478569151.db2.gz NFONGPJJPJHLQO-UHFFFAOYSA-N 0 0 346.355 2.841 10 5 EFBERN CO[C@H](COc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000594887439 478572783 /nfs/dbraw/zinc/57/27/83/478572783.db2.gz LQNCFBHMDXXXNH-NOZJJQNGSA-N 0 0 346.177 2.788 10 5 EFBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597919002 478574534 /nfs/dbraw/zinc/57/45/34/478574534.db2.gz JIHXAXPQJNFDKA-SNVBAGLBSA-N 0 0 333.319 2.504 10 5 EFBERN O=C(N[C@@H](CO)C1CCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597919100 478574615 /nfs/dbraw/zinc/57/46/15/478574615.db2.gz KPBHOVHWPFHUSO-LBPRGKRZSA-N 0 0 332.278 2.504 10 5 EFBERN CO[C@@H](COc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594893176 478575378 /nfs/dbraw/zinc/57/53/78/478575378.db2.gz ROPPYCSSJPFXAO-CABZTGNLSA-N 0 0 346.177 2.788 10 5 EFBERN CO[C@@H](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCOC1 ZINC000594894315 478575529 /nfs/dbraw/zinc/57/55/29/478575529.db2.gz QWFSZFMUKVDCLM-RNCFNFMXSA-N 0 0 325.752 2.649 10 5 EFBERN O=C(N[C@H](CO)C1CCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597920698 478576237 /nfs/dbraw/zinc/57/62/37/478576237.db2.gz ICUPTBGAXYEZAD-CYBMUJFWSA-N 0 0 347.396 2.609 10 5 EFBERN O=C(N[C@@H](CO)C1CCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597922169 478576287 /nfs/dbraw/zinc/57/62/87/478576287.db2.gz XKCYRYATWIYKCX-HNNXBMFYSA-N 0 0 341.367 2.548 10 5 EFBERN CO[C@H](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C1CCCC1 ZINC000594900617 478578585 /nfs/dbraw/zinc/57/85/85/478578585.db2.gz TVTKQDIUWWVZHM-CQSZACIVSA-N 0 0 333.344 2.617 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000597932437 478582148 /nfs/dbraw/zinc/58/21/48/478582148.db2.gz GHMUCLFKJIGIAI-NJZAAPMLSA-N 0 0 343.387 2.577 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000597932433 478582407 /nfs/dbraw/zinc/58/24/07/478582407.db2.gz GHMUCLFKJIGIAI-KYOSRNDESA-N 0 0 343.387 2.577 10 5 EFBERN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2n[nH]cc2[N+](=O)[O-])CO1 ZINC000597933921 478583540 /nfs/dbraw/zinc/58/35/40/478583540.db2.gz DVSRUIZTMUYNLF-CYBMUJFWSA-N 0 0 344.371 2.528 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ncnn21 ZINC000597936312 478584821 /nfs/dbraw/zinc/58/48/21/478584821.db2.gz NOTFPMSOVNUAEV-KCJUWKMLSA-N 0 0 343.368 2.837 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000597936035 478585089 /nfs/dbraw/zinc/58/50/89/478585089.db2.gz MMIFEMMOVYAPFG-GWCFXTLKSA-N 0 0 329.360 2.746 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNCc1c(C2CCC2)cnn1C ZINC000594923601 478586691 /nfs/dbraw/zinc/58/66/91/478586691.db2.gz ZWBPPZFQQHXZAI-UHFFFAOYSA-N 0 0 330.388 2.894 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNCc1c(C(F)(F)F)cnn1C ZINC000594923431 478586710 /nfs/dbraw/zinc/58/67/10/478586710.db2.gz YBSJECDFRWPEEG-UHFFFAOYSA-N 0 0 344.293 2.646 10 5 EFBERN O=C(NCCCOCC1CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600963833 478588142 /nfs/dbraw/zinc/58/81/42/478588142.db2.gz HFHLCJIQWPBVHH-UHFFFAOYSA-N 0 0 332.400 2.949 10 5 EFBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000597947522 478592428 /nfs/dbraw/zinc/59/24/28/478592428.db2.gz HSWCDTUOMOSSDH-UHFFFAOYSA-N 0 0 325.368 2.966 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000597950690 478593078 /nfs/dbraw/zinc/59/30/78/478593078.db2.gz DBNHWMYKNYJCQA-JTQLQIEISA-N 0 0 342.417 2.553 10 5 EFBERN CCC(C)(C)[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597952563 478593607 /nfs/dbraw/zinc/59/36/07/478593607.db2.gz SSZUGOQCZVLAEN-GFCCVEGCSA-N 0 0 335.404 2.656 10 5 EFBERN CC(C)c1ccc2c(c1)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])CC2 ZINC000597964009 478598075 /nfs/dbraw/zinc/59/80/75/478598075.db2.gz SLPVUPBLGWLCEX-UHFFFAOYSA-N 0 0 328.372 2.650 10 5 EFBERN COc1cc(C(=O)NCCc2cnccc2C)cc([N+](=O)[O-])c1C ZINC000597977088 478603179 /nfs/dbraw/zinc/60/31/79/478603179.db2.gz CZUOGOVSPKICLY-UHFFFAOYSA-N 0 0 329.356 2.588 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000594979367 478615109 /nfs/dbraw/zinc/61/51/09/478615109.db2.gz JXYALAIYCPNSDA-XJKSGUPXSA-N 0 0 330.388 2.535 10 5 EFBERN C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598018185 478619200 /nfs/dbraw/zinc/61/92/00/478619200.db2.gz JYCLUNYIRQAUFF-ZBEGNZNMSA-N 0 0 331.372 2.699 10 5 EFBERN Cc1nn(C)cc1[C@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601035242 478624257 /nfs/dbraw/zinc/62/42/57/478624257.db2.gz TWTYGXPIWRLEHI-LBPRGKRZSA-N 0 0 342.399 2.936 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598053089 478636319 /nfs/dbraw/zinc/63/63/19/478636319.db2.gz AHDCWEXMHXAKHF-SNVBAGLBSA-N 0 0 340.326 2.586 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Cc1ccc(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)c(C)c1[N+](=O)[O-] ZINC000598618020 478929016 /nfs/dbraw/zinc/92/90/16/478929016.db2.gz KHMSWADSJMQQGN-LLVKDONJSA-N 0 0 348.371 2.781 10 5 EFBERN COC(=O)c1ccnc(N2CCc3c(C)cc(C)cc3C2)c1[N+](=O)[O-] ZINC000598620532 478930749 /nfs/dbraw/zinc/93/07/49/478930749.db2.gz YGPJAFDPANSABD-UHFFFAOYSA-N 0 0 341.367 2.956 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000601656635 478931684 /nfs/dbraw/zinc/93/16/84/478931684.db2.gz LZEGDRMHKBBUPG-HNNXBMFYSA-N 0 0 341.367 2.775 10 5 EFBERN COC(=O)c1ccnc(NC[C@@](C)(OC)c2ccccc2)c1[N+](=O)[O-] ZINC000598632250 478934080 /nfs/dbraw/zinc/93/40/80/478934080.db2.gz CBNRAYJDSYLARV-QGZVFWFLSA-N 0 0 345.355 2.750 10 5 EFBERN COC(=O)c1ccnc(NC[C@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000598632770 478934088 /nfs/dbraw/zinc/93/40/88/478934088.db2.gz APOKAWMOLLUCPK-ZDUSSCGKSA-N 0 0 337.376 2.784 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2C[C@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC000598631404 478934624 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CC[C@H](COCC1CC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595688084 478937467 /nfs/dbraw/zinc/93/74/67/478937467.db2.gz GHXSGZOGEQLMLW-MRXNPFEDSA-N 0 0 349.431 2.984 10 5 EFBERN C[C@@]12COC[C@]1(C)CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595691105 478938711 /nfs/dbraw/zinc/93/87/11/478938711.db2.gz YXIYOROHTFUZAT-CALCHBBNSA-N 0 0 344.371 2.503 10 5 EFBERN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@H]1CCc2ccccc2C1 ZINC000545483330 478939295 /nfs/dbraw/zinc/93/92/95/478939295.db2.gz PDQQWFWHEQJHFT-LBPRGKRZSA-N 0 0 336.347 2.996 10 5 EFBERN C[C@]12COC[C@H]1CN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000601674550 478945084 /nfs/dbraw/zinc/94/50/84/478945084.db2.gz WZMOSAGBKYOZMO-PBHICJAKSA-N 0 0 330.384 2.511 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1c(C)cc(C)nc1OC ZINC000598651038 478945634 /nfs/dbraw/zinc/94/56/34/478945634.db2.gz QEOOHKMYKLRONW-UHFFFAOYSA-N 0 0 333.392 2.776 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CC1(F)F ZINC000598656151 478948726 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330.384 2.700 10 5 EFBERN Cn1c(C(=O)NCc2ccsc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000601687977 478953452 /nfs/dbraw/zinc/95/34/52/478953452.db2.gz KGIHXLSATBANRO-UHFFFAOYSA-N 0 0 333.291 2.944 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC1CC1)c1cccc(F)c1 ZINC000601702237 478960206 /nfs/dbraw/zinc/96/02/06/478960206.db2.gz QLUKDBLDTSXGNV-UHFFFAOYSA-N 0 0 332.335 2.682 10 5 EFBERN O=C(N[C@@H]1CCCC12CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000601702201 478960583 /nfs/dbraw/zinc/96/05/83/478960583.db2.gz CDZDWNOCEKUPPW-OAHLLOKOSA-N 0 0 326.356 2.843 10 5 EFBERN CCc1nc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])sc1C(C)(C)C ZINC000572974567 478964732 /nfs/dbraw/zinc/96/47/32/478964732.db2.gz YYCBJEYNNYNPNK-UHFFFAOYSA-N 0 0 349.416 2.971 10 5 EFBERN C[C@@H](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCO1 ZINC000598681792 478968068 /nfs/dbraw/zinc/96/80/68/478968068.db2.gz QLRJKXNJWYVXRZ-GWCFXTLKSA-N 0 0 345.359 2.524 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N=c1ccn(C2CCSCC2)[nH]1 ZINC000601718468 478970948 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478990956 /nfs/dbraw/zinc/99/09/56/478990956.db2.gz DVCRMPZKCWAZKA-UHFFFAOYSA-N 0 0 329.356 2.575 10 5 EFBERN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)CC(F)F ZINC000592673558 478991004 /nfs/dbraw/zinc/99/10/04/478991004.db2.gz XKWBBTMDUVUBND-SNVBAGLBSA-N 0 0 325.315 2.957 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601766464 478991273 /nfs/dbraw/zinc/99/12/73/478991273.db2.gz KBYIKMJVMMPLGO-VHSKPIJISA-N 0 0 332.278 2.909 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595781471 478994306 /nfs/dbraw/zinc/99/43/06/478994306.db2.gz UKCUXFXDIKZPGD-DYEKYZERSA-N 0 0 335.404 2.730 10 5 EFBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000592681718 478994827 /nfs/dbraw/zinc/99/48/27/478994827.db2.gz QXOVPWWDUOTUNB-RRFJBIMHSA-N 0 0 348.399 2.792 10 5 EFBERN C[C@@H]1CCC[C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000595782799 478995088 /nfs/dbraw/zinc/99/50/88/478995088.db2.gz 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COC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593019669 479129317 /nfs/dbraw/zinc/12/93/17/479129317.db2.gz IKUWVBCCUHNENI-INIZCTEOSA-N 0 0 344.367 2.859 10 5 EFBERN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000584446290 479134852 /nfs/dbraw/zinc/13/48/52/479134852.db2.gz UZMHRIIOZSCUDN-GFCCVEGCSA-N 0 0 338.367 2.934 10 5 EFBERN CO[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)C(F)(F)F ZINC000593031070 479135326 /nfs/dbraw/zinc/13/53/26/479135326.db2.gz QSKWPCOGLZJWRZ-PELKAZGASA-N 0 0 332.278 2.840 10 5 EFBERN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599048318 479138424 /nfs/dbraw/zinc/13/84/24/479138424.db2.gz KJVFUPGKALTAFY-CHWSQXEVSA-N 0 0 349.412 2.911 10 5 EFBERN COCCOC[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599051099 479139484 /nfs/dbraw/zinc/13/94/84/479139484.db2.gz FHBWVTFZVKKNDC-ZDUSSCGKSA-N 0 0 331.372 2.632 10 5 EFBERN O=[N+]([O-])c1c(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc2cnccc21 ZINC000599060025 479143295 /nfs/dbraw/zinc/14/32/95/479143295.db2.gz LKBHQUPLMCSFOH-HNNXBMFYSA-N 0 0 342.399 2.808 10 5 EFBERN COc1cc(NCCN2CCOCC2(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596110380 479143480 /nfs/dbraw/zinc/14/34/80/479143480.db2.gz MNZTXEPFGHTION-UHFFFAOYSA-N 0 0 343.811 2.780 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000599062818 479143877 /nfs/dbraw/zinc/14/38/77/479143877.db2.gz UFSRHYVMITVNAU-HZPDHXFCSA-N 0 0 329.356 2.527 10 5 EFBERN O=[N+]([O-])c1c(N[C@@H]2CCO[C@@]3(CCOC3)C2)ccc2cnccc21 ZINC000599063115 479144599 /nfs/dbraw/zinc/14/45/99/479144599.db2.gz WRSADEKBVDMNQW-DYVFJYSZSA-N 0 0 329.356 2.893 10 5 EFBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCn2c(CC3CC3)nnc2C1 ZINC000593053438 479145088 /nfs/dbraw/zinc/14/50/88/479145088.db2.gz GILMLVYPKVBLPQ-LBPRGKRZSA-N 0 0 327.388 2.716 10 5 EFBERN CN(C)C(=O)CC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599065364 479145893 /nfs/dbraw/zinc/14/58/93/479145893.db2.gz KMCFYVKUGLDACC-UHFFFAOYSA-N 0 0 342.399 2.838 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCC(Cn2cncn2)CC1 ZINC000599068658 479147995 /nfs/dbraw/zinc/14/79/95/479147995.db2.gz BPRIAVFFXDFDKL-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN Cc1cnn(CCNc2c(Br)cccc2[N+](=O)[O-])c1 ZINC000596124828 479151300 /nfs/dbraw/zinc/15/13/00/479151300.db2.gz OBLLTROZAKTOFM-UHFFFAOYSA-N 0 0 325.166 2.974 10 5 EFBERN CNc1nccc(C(=O)N(Cc2ccco2)C2CCCC2)c1[N+](=O)[O-] ZINC000584478479 479152313 /nfs/dbraw/zinc/15/23/13/479152313.db2.gz SXLJFRIXAFMRPG-UHFFFAOYSA-N 0 0 344.371 2.631 10 5 EFBERN CCn1cnnc1CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596131460 479156173 /nfs/dbraw/zinc/15/61/73/479156173.db2.gz MQUWWSMNCNJERL-UHFFFAOYSA-N 0 0 325.756 2.523 10 5 EFBERN COCCOC1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596133242 479156514 /nfs/dbraw/zinc/15/65/14/479156514.db2.gz WPBFXUILNYUVPO-UHFFFAOYSA-N 0 0 344.795 2.889 10 5 EFBERN NC(=O)c1cc(N(C[C@@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000596138181 479158698 /nfs/dbraw/zinc/15/86/98/479158698.db2.gz QWLWCASYPYIXJB-AWEZNQCLSA-N 0 0 333.388 2.622 10 5 EFBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1c(C)nn(C)c1C ZINC000596141375 479160907 /nfs/dbraw/zinc/16/09/07/479160907.db2.gz KECNOWSFTQTMLL-CYBMUJFWSA-N 0 0 331.376 2.607 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596142288 479161490 /nfs/dbraw/zinc/16/14/90/479161490.db2.gz SFUWKLLTYGOTSD-BDAKNGLRSA-N 0 0 328.752 2.872 10 5 EFBERN COCCOC[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596142771 479161642 /nfs/dbraw/zinc/16/16/42/479161642.db2.gz UMLAYWXWVPWJHA-NSHDSACASA-N 0 0 344.795 2.746 10 5 EFBERN Cn1cc([C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2(C)C)cn1 ZINC000599109811 479163776 /nfs/dbraw/zinc/16/37/76/479163776.db2.gz YOTVGBLLNNJAED-ZDUSSCGKSA-N 0 0 340.387 2.835 10 5 EFBERN Cc1cn2c(n1)C[C@H](c1nc(Cc3ccccc3[N+](=O)[O-])no1)CC2 ZINC000599114075 479165006 /nfs/dbraw/zinc/16/50/06/479165006.db2.gz UKEZVZHTHSWRRU-CYBMUJFWSA-N 0 0 339.355 2.804 10 5 EFBERN Cn1c2cc(NC[C@@H]3CC[C@H]4C[C@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599114746 479165187 /nfs/dbraw/zinc/16/51/87/479165187.db2.gz BAAFWAKWDYNRLL-GRYCIOLGSA-N 0 0 330.388 2.633 10 5 EFBERN CCOC[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596149984 479165708 /nfs/dbraw/zinc/16/57/08/479165708.db2.gz SOOLVESHOOSRSL-SNVBAGLBSA-N 0 0 342.779 2.898 10 5 EFBERN CC(C)Cc1ccccc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599114767 479166006 /nfs/dbraw/zinc/16/60/06/479166006.db2.gz BVBGLEVALZRNAN-UHFFFAOYSA-N 0 0 328.372 2.899 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(C)COc2ccccc2O1 ZINC000599115560 479166089 /nfs/dbraw/zinc/16/60/89/479166089.db2.gz CMJCMZJKQIFTQH-INIZCTEOSA-N 0 0 332.360 2.762 10 5 EFBERN Cc1c(Br)c(NCC[C@H]2CCCOC2)ncc1[N+](=O)[O-] ZINC000599117842 479166766 /nfs/dbraw/zinc/16/67/66/479166766.db2.gz XYKKIBQTKFFRCB-SNVBAGLBSA-N 0 0 344.209 2.711 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1NC[C@H](n1cccn1)C(F)(F)F)CCN2 ZINC000599117742 479166856 /nfs/dbraw/zinc/16/68/56/479166856.db2.gz PETCRFMUDGVOAO-LBPRGKRZSA-N 0 0 341.293 2.975 10 5 EFBERN CCc1nn(C)c(NC[C@@]2(C)COc3ccccc3O2)c1[N+](=O)[O-] ZINC000599118314 479167385 /nfs/dbraw/zinc/16/73/85/479167385.db2.gz UMNFBDXHKKWNMB-INIZCTEOSA-N 0 0 332.360 2.533 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCCOC1 ZINC000599119450 479167864 /nfs/dbraw/zinc/16/78/64/479167864.db2.gz KOJUUMDIRMTONY-OAHLLOKOSA-N 0 0 335.404 2.595 10 5 EFBERN COC(=O)c1cnc(N[C@@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000599122194 479168872 /nfs/dbraw/zinc/16/88/72/479168872.db2.gz BOPKGUMBLABZII-LBPRGKRZSA-N 0 0 343.339 2.500 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2COc3cccc(C)c3C2)n1 ZINC000599122910 479168990 /nfs/dbraw/zinc/16/89/90/479168990.db2.gz JBFHYNIGDGUSLF-NSHDSACASA-N 0 0 343.339 2.500 10 5 EFBERN C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2(CCC2)CO1 ZINC000593092092 479169170 /nfs/dbraw/zinc/16/91/70/479169170.db2.gz MLOIQGJWYSTTCJ-GFCCVEGCSA-N 0 0 344.371 2.788 10 5 EFBERN COc1cc(N2CCO[C@H]([C@H]3CCCO3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596157254 479169322 /nfs/dbraw/zinc/16/93/22/479169322.db2.gz RUROROOBXBRUBT-HIFRSBDPSA-N 0 0 342.779 2.641 10 5 EFBERN O=[N+]([O-])c1cc(N2CCC(OCCCO)CC2)ccc1C(F)(F)F ZINC000596159405 479171625 /nfs/dbraw/zinc/17/16/25/479171625.db2.gz BRDCBCUIGRDHGW-UHFFFAOYSA-N 0 0 348.321 2.981 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596162348 479172148 /nfs/dbraw/zinc/17/21/48/479172148.db2.gz LMVSWRPNVZFXFZ-DTWKUNHWSA-N 0 0 328.752 2.648 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)CC(C)(C)OC)ccc1[N+](=O)[O-] ZINC000596161730 479173123 /nfs/dbraw/zinc/17/31/23/479173123.db2.gz IPSZAEBNDCNPAD-UHFFFAOYSA-N 0 0 330.768 2.896 10 5 EFBERN Cc1cc(NC[C@H](O)[C@H]2CCCO2)c(Br)cc1[N+](=O)[O-] ZINC000599133078 479173329 /nfs/dbraw/zinc/17/33/29/479173329.db2.gz STZUWTXRPLCLSB-QWHCGFSZSA-N 0 0 345.193 2.618 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2CC(F)F)c1 ZINC000599133126 479173376 /nfs/dbraw/zinc/17/33/76/479173376.db2.gz BHELKMMKMIYPAA-NSHDSACASA-N 0 0 343.330 2.523 10 5 EFBERN COc1ccccc1N1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596164538 479174360 /nfs/dbraw/zinc/17/43/60/479174360.db2.gz ZZUNZTGXOXRBAR-NSHDSACASA-N 0 0 348.790 2.765 10 5 EFBERN COc1cc(NC[C@@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1F ZINC000599134160 479175153 /nfs/dbraw/zinc/17/51/53/479175153.db2.gz QZCWRWBQYCPFAU-VIFPVBQESA-N 0 0 333.310 2.884 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC(CC(F)(F)F)C1 ZINC000610749045 479175209 /nfs/dbraw/zinc/17/52/09/479175209.db2.gz CFQYYQBMEVZFMK-UHFFFAOYSA-N 0 0 331.294 2.731 10 5 EFBERN COC(=O)c1c(Cl)c(NCC[C@H](C)[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000596166937 479175585 /nfs/dbraw/zinc/17/55/85/479175585.db2.gz ZSLRRXDYODSPPA-QSIZCVBASA-N 0 0 348.808 2.604 10 5 EFBERN CCN(CCc1nccs1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593103096 479176423 /nfs/dbraw/zinc/17/64/23/479176423.db2.gz GDUSGXRDRVZIOZ-UHFFFAOYSA-N 0 0 337.376 2.824 10 5 EFBERN CCN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596168740 479177274 /nfs/dbraw/zinc/17/72/74/479177274.db2.gz BPPNXNZACYCTEN-JTQLQIEISA-N 0 0 342.779 2.898 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000596169380 479177338 /nfs/dbraw/zinc/17/73/38/479177338.db2.gz IIBAHFNEMXWSDJ-UWVGGRQHSA-N 0 0 342.779 2.632 10 5 EFBERN O=[N+]([O-])c1cccnc1NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000599138942 479177447 /nfs/dbraw/zinc/17/74/47/479177447.db2.gz LFLGJQQOWOBFKN-CQSZACIVSA-N 0 0 348.790 2.961 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000596171545 479177980 /nfs/dbraw/zinc/17/79/80/479177980.db2.gz FHNXRQPQICQXCC-KYZUINATSA-N 0 0 328.752 2.750 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)nc1 ZINC000599139439 479177955 /nfs/dbraw/zinc/17/79/55/479177955.db2.gz NYTHFTNWTZKMGZ-OAHLLOKOSA-N 0 0 348.790 2.961 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](CO)CC2CC2)ccc1[N+](=O)[O-] ZINC000596172489 479178301 /nfs/dbraw/zinc/17/83/01/479178301.db2.gz MJVOQZGARYQRCW-SECBINFHSA-N 0 0 328.752 2.608 10 5 EFBERN COc1cc(N(C)C[C@@H]2CCN(C(C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596172145 479178497 /nfs/dbraw/zinc/17/84/97/479178497.db2.gz HDTFFXGWSMYKNR-NSHDSACASA-N 0 0 341.795 2.561 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(COCC(F)F)n3)c2c1 ZINC000599143140 479179204 /nfs/dbraw/zinc/17/92/04/479179204.db2.gz DYEZGBNQBHGELE-UHFFFAOYSA-N 0 0 338.270 2.832 10 5 EFBERN O=[N+]([O-])c1ncccc1NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000599141084 479179307 /nfs/dbraw/zinc/17/93/07/479179307.db2.gz ZLHHWFAOCSLTLC-CQSZACIVSA-N 0 0 348.790 2.961 10 5 EFBERN Cn1nccc1[C@@H]1COCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593110048 479180111 /nfs/dbraw/zinc/18/01/11/479180111.db2.gz MXEYQFDLZQCLNC-HNNXBMFYSA-N 0 0 336.779 2.555 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596180027 479183006 /nfs/dbraw/zinc/18/30/06/479183006.db2.gz WSAPUXZSDLQIQH-NXEZZACHSA-N 0 0 341.795 2.564 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(C)(C1CC1)C1CC1 ZINC000596177936 479183153 /nfs/dbraw/zinc/18/31/53/479183153.db2.gz DPKPEZYPFJCYKF-UHFFFAOYSA-N 0 0 333.388 2.981 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(CC2(F)F)C1 ZINC000593116268 479183485 /nfs/dbraw/zinc/18/34/85/479183485.db2.gz HACBPQUNVHRXID-AWEZNQCLSA-N 0 0 325.315 2.573 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)CC2CCOCC2)ccc1[N+](=O)[O-] ZINC000596181070 479183613 /nfs/dbraw/zinc/18/36/13/479183613.db2.gz XCPQUMUKOMEGRK-UHFFFAOYSA-N 0 0 342.779 2.898 10 5 EFBERN O=[N+]([O-])c1cc(CN2CC[C@@]3(CC3(F)F)C2)c2c(c1)COCO2 ZINC000593116641 479184563 /nfs/dbraw/zinc/18/45/63/479184563.db2.gz NCBUUOYVFZNKRT-CQSZACIVSA-N 0 0 326.299 2.692 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000596181047 479184506 /nfs/dbraw/zinc/18/45/06/479184506.db2.gz WECSCBRYPXAYPP-JTQLQIEISA-N 0 0 348.794 2.954 10 5 EFBERN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2COC[C@H]2O1 ZINC000593118558 479185314 /nfs/dbraw/zinc/18/53/14/479185314.db2.gz ZGJVKKJLRXYZIZ-ZIAGYGMSSA-N 0 0 326.780 2.626 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCN(C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596181935 479185436 /nfs/dbraw/zinc/18/54/36/479185436.db2.gz HWTQKALXKODYDV-UWVGGRQHSA-N 0 0 341.795 2.564 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593119349 479187565 /nfs/dbraw/zinc/18/75/65/479187565.db2.gz WFECGTQVGTXBOQ-YGRLFVJLSA-N 0 0 325.315 2.653 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000596185172 479187885 /nfs/dbraw/zinc/18/78/85/479187885.db2.gz FHXHNUJZVGNHSF-GFCCVEGCSA-N 0 0 342.779 2.896 10 5 EFBERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000599162436 479188456 /nfs/dbraw/zinc/18/84/56/479188456.db2.gz GOJDKJDKPTYGBR-GWCFXTLKSA-N 0 0 326.324 2.504 10 5 EFBERN COC(=O)c1c(Cl)c(NCc2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000596187817 479188648 /nfs/dbraw/zinc/18/86/48/479188648.db2.gz YLFXTVAVWXTIHI-UHFFFAOYSA-N 0 0 342.764 2.807 10 5 EFBERN Cc1ccc(C2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)cn1 ZINC000596189984 479189135 /nfs/dbraw/zinc/18/91/35/479189135.db2.gz NPYNGKQOINFCNI-UHFFFAOYSA-N 0 0 340.383 2.781 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)[C@H]1OC ZINC000596191671 479189792 /nfs/dbraw/zinc/18/97/92/479189792.db2.gz BEDIJIMQKJYXEW-ZLKJLUDKSA-N 0 0 330.768 2.861 10 5 EFBERN COC1CC(c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000599165871 479190962 /nfs/dbraw/zinc/19/09/62/479190962.db2.gz VDDVTEVDYUMRNC-UHFFFAOYSA-N 0 0 330.344 2.895 10 5 EFBERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000599166646 479191055 /nfs/dbraw/zinc/19/10/55/479191055.db2.gz SFZMJSFKLZVZMS-YGRLFVJLSA-N 0 0 326.324 2.504 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(COCC(F)F)n2)c2c1NCCC2 ZINC000599165928 479191296 /nfs/dbraw/zinc/19/12/96/479191296.db2.gz WINUWKRLLONESK-UHFFFAOYSA-N 0 0 340.286 2.785 10 5 EFBERN CC(C)OC(=O)NCCOc1cc(Br)ccc1[N+](=O)[O-] ZINC000584601208 479191574 /nfs/dbraw/zinc/19/15/74/479191574.db2.gz ZVYMNYKDVHDIPS-UHFFFAOYSA-N 0 0 347.165 2.871 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1c2ccccc2C(=O)N1C ZINC000599166171 479191661 /nfs/dbraw/zinc/19/16/61/479191661.db2.gz WROGPPKPUZDNKY-QGZVFWFLSA-N 0 0 341.367 2.980 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(C(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000584598100 479191765 /nfs/dbraw/zinc/19/17/65/479191765.db2.gz FGHJJNBWLUIOMI-UHFFFAOYSA-N 0 0 344.279 2.911 10 5 EFBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596194354 479192193 /nfs/dbraw/zinc/19/21/93/479192193.db2.gz DMTBAYXUSYNQAU-KWQFWETISA-N 0 0 331.294 2.861 10 5 EFBERN COc1cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)cc1[N+](=O)[O-] ZINC000599167982 479192417 /nfs/dbraw/zinc/19/24/17/479192417.db2.gz XVYAUWBMZUEGKG-BNJANLQDSA-N 0 0 344.820 2.747 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000599167920 479193276 /nfs/dbraw/zinc/19/32/76/479193276.db2.gz VFNPUGWXIUEJID-XMQCVEROSA-N 0 0 331.397 2.633 10 5 EFBERN COC(=O)/C(Br)=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000584611411 479193545 /nfs/dbraw/zinc/19/35/45/479193545.db2.gz DJEIEJXDNUROCS-YWEYNIOJSA-N 0 0 346.133 2.521 10 5 EFBERN CC(C)(CNc1ncnc2sc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000599171092 479193680 /nfs/dbraw/zinc/19/36/80/479193680.db2.gz YNCMXYLUFNIOCY-UHFFFAOYSA-N 0 0 349.416 2.660 10 5 EFBERN CC(=O)c1ccc(NCC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000599170747 479193914 /nfs/dbraw/zinc/19/39/14/479193914.db2.gz PSWCJFVYWXLMRI-UHFFFAOYSA-N 0 0 333.388 2.858 10 5 EFBERN O=C(C1CC1)[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596198502 479194322 /nfs/dbraw/zinc/19/43/22/479194322.db2.gz ZTMNRBLEVWOOOS-ZDUSSCGKSA-N 0 0 344.289 2.798 10 5 EFBERN CC(C)(CNc1c2ccccc2ncc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599171082 479194364 /nfs/dbraw/zinc/19/43/64/479194364.db2.gz YFXCVMYMMUHUOU-UHFFFAOYSA-N 0 0 342.399 2.625 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000599180247 479196504 /nfs/dbraw/zinc/19/65/04/479196504.db2.gz JZTSCUFWUXHJER-ONGXEEELSA-N 0 0 328.166 2.732 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CCO[C@H](C2CC2)C1 ZINC000596201257 479197089 /nfs/dbraw/zinc/19/70/89/479197089.db2.gz WVAVQRBDFCEPAA-LBPRGKRZSA-N 0 0 327.178 2.973 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1C[C@H](O)CC(F)(F)C1 ZINC000596206311 479198121 /nfs/dbraw/zinc/19/81/21/479198121.db2.gz RVQQIDCSDPUJKS-SSDOTTSWSA-N 0 0 337.120 2.564 10 5 EFBERN COC(=O)C(C)(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000610823666 479198209 /nfs/dbraw/zinc/19/82/09/479198209.db2.gz FBDDDTAPFVAYPT-CQSZACIVSA-N 0 0 346.339 2.858 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000596204766 479198222 /nfs/dbraw/zinc/19/82/22/479198222.db2.gz XLTTZTSJFCMZCD-CABZTGNLSA-N 0 0 342.779 2.896 10 5 EFBERN COc1cc(N2CCc3cc[nH]c(=O)c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596209451 479200762 /nfs/dbraw/zinc/20/07/62/479200762.db2.gz FBTLLUZQUPRNAT-UHFFFAOYSA-N 0 0 335.747 2.920 10 5 EFBERN C[C@@H]1C[C@]2(CCO1)CN(c1c(Cl)cncc1[N+](=O)[O-])C[C@H](C)O2 ZINC000596215697 479204660 /nfs/dbraw/zinc/20/46/60/479204660.db2.gz GUZZEPWPNHXGLT-JRPNMDOOSA-N 0 0 341.795 2.806 10 5 EFBERN COc1cc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596217374 479205334 /nfs/dbraw/zinc/20/53/34/479205334.db2.gz KUNFYLXKSHJLSQ-BMIGLBTASA-N 0 0 342.779 2.641 10 5 EFBERN CCOc1ccc(-c2nc([C@@H](C)c3cnccn3)no2)cc1[N+](=O)[O-] ZINC000599195878 479205807 /nfs/dbraw/zinc/20/58/07/479205807.db2.gz ZLYOGEZWTVWMEN-JTQLQIEISA-N 0 0 341.327 2.985 10 5 EFBERN COC[C@@]1(C)CN(c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000599201143 479207595 /nfs/dbraw/zinc/20/75/95/479207595.db2.gz DMFANSDBTYOBOR-CYBMUJFWSA-N 0 0 345.193 2.599 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599201655 479207305 /nfs/dbraw/zinc/20/73/05/479207305.db2.gz IAHTWKVAURXQRU-LSDHHAIUSA-N 0 0 346.412 2.924 10 5 EFBERN CCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1OC ZINC000599205781 479207904 /nfs/dbraw/zinc/20/79/04/479207904.db2.gz JIILNAACOLTGIU-UHFFFAOYSA-N 0 0 346.343 2.630 10 5 EFBERN COC[C@]1(C)CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CCO1 ZINC000599203046 479208206 /nfs/dbraw/zinc/20/82/06/479208206.db2.gz UNJNRTDICKIDIP-KRWDZBQOSA-N 0 0 331.372 2.693 10 5 EFBERN O=C1[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCN1C1CCC1 ZINC000599204929 479208782 /nfs/dbraw/zinc/20/87/82/479208782.db2.gz AEHFQOZEKWRBDB-CQSZACIVSA-N 0 0 326.356 2.708 10 5 EFBERN COc1cc(N2CCO[C@]3(CCO[C@@H]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596224698 479210446 /nfs/dbraw/zinc/21/04/46/479210446.db2.gz ZCSYMWJDSNWWFX-MEBBXXQBSA-N 0 0 342.779 2.641 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCCCCF)c1 ZINC000593161085 479211277 /nfs/dbraw/zinc/21/12/77/479211277.db2.gz TYMJFXBWNGCORW-UHFFFAOYSA-N 0 0 334.351 2.628 10 5 EFBERN CN(C)c1nnc(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)s1 ZINC000574076453 479211879 /nfs/dbraw/zinc/21/18/79/479211879.db2.gz JGFXEEXEUYMDKM-UHFFFAOYSA-N 0 0 337.430 2.937 10 5 EFBERN CC(=O)N1CC[C@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596233843 479214271 /nfs/dbraw/zinc/21/42/71/479214271.db2.gz GDVCJOKHPDMKDR-SNVBAGLBSA-N 0 0 342.193 2.638 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000596235435 479216511 /nfs/dbraw/zinc/21/65/11/479216511.db2.gz CQXJJRCNKAIWHY-NSHDSACASA-N 0 0 342.779 2.998 10 5 EFBERN COCCC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596237824 479218127 /nfs/dbraw/zinc/21/81/27/479218127.db2.gz AHOILCPNCKAVJR-UHFFFAOYSA-N 0 0 342.779 2.898 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000599242877 479218461 /nfs/dbraw/zinc/21/84/61/479218461.db2.gz BBXMBAABDQUEQB-JLJPHGGASA-N 0 0 347.415 2.909 10 5 EFBERN Cn1cc(C2=CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000602177157 479219145 /nfs/dbraw/zinc/21/91/45/479219145.db2.gz CICXDCDHAJCXKT-UHFFFAOYSA-N 0 0 340.383 2.577 10 5 EFBERN COc1cc(N2CCC(F)(F)[C@@H](CO)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596242611 479219437 /nfs/dbraw/zinc/21/94/37/479219437.db2.gz ZHWMDWFPHBJPJL-MRVPVSSYSA-N 0 0 336.722 2.711 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC2CC1(C(F)(F)F)C2 ZINC000593173160 479219699 /nfs/dbraw/zinc/21/96/99/479219699.db2.gz XSCZRIHFGXIHRB-UHFFFAOYSA-N 0 0 332.253 2.830 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC=C(c2cnn(C)c2)C1 ZINC000602179679 479220682 /nfs/dbraw/zinc/22/06/82/479220682.db2.gz SJWLHKFYVMQJDE-UHFFFAOYSA-N 0 0 326.356 2.566 10 5 EFBERN COc1ccc(NC(=O)N[C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593178108 479221939 /nfs/dbraw/zinc/22/19/39/479221939.db2.gz PIIQQZNCUFJCHD-INIZCTEOSA-N 0 0 349.387 2.930 10 5 EFBERN COc1ccc(NC(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593177847 479222320 /nfs/dbraw/zinc/22/23/20/479222320.db2.gz AYACTUSPNIRQEV-ZDUSSCGKSA-N 0 0 327.287 2.866 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@]2(O)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596247845 479222554 /nfs/dbraw/zinc/22/25/54/479222554.db2.gz RHAFOWNWMRBKKE-RFAUZJTJSA-N 0 0 342.779 2.998 10 5 EFBERN CC[C@@H]1[C@H](CO)CCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596248881 479222746 /nfs/dbraw/zinc/22/27/46/479222746.db2.gz MRHDNNBWMJAPPQ-VHSXEESVSA-N 0 0 342.779 2.632 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)CCCCO)ccc1[N+](=O)[O-] ZINC000596249173 479224228 /nfs/dbraw/zinc/22/42/28/479224228.db2.gz GDXHBIBEPPUEFW-SECBINFHSA-N 0 0 330.768 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000596251670 479225888 /nfs/dbraw/zinc/22/58/88/479225888.db2.gz VIZOLVSWIHCQCS-QMMMGPOBSA-N 0 0 330.768 2.996 10 5 EFBERN Cc1cc(NC[C@H]2CS(=O)(=O)c3ccccc32)c([N+](=O)[O-])s1 ZINC000596255208 479227230 /nfs/dbraw/zinc/22/72/30/479227230.db2.gz MFAVXYOBHYHZFE-JTQLQIEISA-N 0 0 338.410 2.948 10 5 EFBERN CC1(C)CC(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000599266622 479227500 /nfs/dbraw/zinc/22/75/00/479227500.db2.gz KOXUYKAMDXZDIF-UHFFFAOYSA-N 0 0 337.445 2.850 10 5 EFBERN Cc1cc(Br)cnc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610896470 479227993 /nfs/dbraw/zinc/22/79/93/479227993.db2.gz VUNMDYFMOUIQNA-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN CCC1(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)COC1 ZINC000596258796 479228492 /nfs/dbraw/zinc/22/84/92/479228492.db2.gz WNXKAHLLODDVKY-UHFFFAOYSA-N 0 0 328.752 2.873 10 5 EFBERN O=C(NCC[C@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610906027 479230710 /nfs/dbraw/zinc/23/07/10/479230710.db2.gz UUHWCFIMHNOFBV-GFCCVEGCSA-N 0 0 343.177 2.656 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596264874 479231172 /nfs/dbraw/zinc/23/11/72/479231172.db2.gz FQGRAPIFLXTLEJ-SNVBAGLBSA-N 0 0 342.779 2.634 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000596269983 479232880 /nfs/dbraw/zinc/23/28/80/479232880.db2.gz JQGVEBHCDMMQLY-MRVPVSSYSA-N 0 0 338.751 2.941 10 5 EFBERN Cc1nn(C)c(C(=O)NC2(c3ccccc3C)CCC2)c1[N+](=O)[O-] ZINC000593199399 479236381 /nfs/dbraw/zinc/23/63/81/479236381.db2.gz OIVBDDNOUODJGP-UHFFFAOYSA-N 0 0 328.372 2.754 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3Cl)CCC2)n1 ZINC000593200288 479237109 /nfs/dbraw/zinc/23/71/09/479237109.db2.gz PAUCBFDIDPLIBO-UHFFFAOYSA-N 0 0 334.763 2.791 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)NC1(c2ccccc2Cl)CCC1 ZINC000593200822 479237209 /nfs/dbraw/zinc/23/72/09/479237209.db2.gz QSRWAPRRNKTFBE-UHFFFAOYSA-N 0 0 334.763 2.640 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556924151 479237709 /nfs/dbraw/zinc/23/77/09/479237709.db2.gz HLZLCXOBXBYNFI-NEPJUHHUSA-N 0 0 326.418 2.520 10 5 EFBERN COc1cc(N2CCC(C3(O)CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596290198 479240004 /nfs/dbraw/zinc/24/00/04/479240004.db2.gz LFEMFSWVJRRBRN-UHFFFAOYSA-N 0 0 326.780 2.998 10 5 EFBERN CCN1C[C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1=O ZINC000596292873 479241884 /nfs/dbraw/zinc/24/18/84/479241884.db2.gz MCGKSRNQQOVTRG-SECBINFHSA-N 0 0 327.768 2.537 10 5 EFBERN O=C(Nc1cc2c([nH]c1=O)CCCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000593214580 479242397 /nfs/dbraw/zinc/24/23/97/479242397.db2.gz NNDUFDFDJUNWSZ-UHFFFAOYSA-N 0 0 331.303 2.966 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593214854 479243846 /nfs/dbraw/zinc/24/38/46/479243846.db2.gz ISQFFDJHKVTQEF-UHFFFAOYSA-N 0 0 328.328 2.530 10 5 EFBERN Cc1cc(C)c2c(c1)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCO2 ZINC000593217378 479244319 /nfs/dbraw/zinc/24/43/19/479244319.db2.gz LBBZFZPYLCQZBL-UHFFFAOYSA-N 0 0 348.380 2.799 10 5 EFBERN CCc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)no1 ZINC000610964540 479245367 /nfs/dbraw/zinc/24/53/67/479245367.db2.gz UISBZDCNMMPATR-UHFFFAOYSA-N 0 0 329.234 2.838 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000593219841 479245330 /nfs/dbraw/zinc/24/53/30/479245330.db2.gz OAWNQUWUFDGKJA-BXUZGUMPSA-N 0 0 334.372 2.930 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000593221132 479246876 /nfs/dbraw/zinc/24/68/76/479246876.db2.gz POAPYOQZWJMHAU-IUODEOHRSA-N 0 0 348.399 2.859 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593223323 479248188 /nfs/dbraw/zinc/24/81/88/479248188.db2.gz RFNFUMISKSKFMO-IUODEOHRSA-N 0 0 348.399 2.859 10 5 EFBERN CC(=O)c1cc(N(C)[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596311787 479249359 /nfs/dbraw/zinc/24/93/59/479249359.db2.gz GBBCYCDXROHBJM-MRXNPFEDSA-N 0 0 328.368 2.837 10 5 EFBERN COC(=O)Cc1ccc(NC[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000596313180 479249773 /nfs/dbraw/zinc/24/97/73/479249773.db2.gz OHTOHSUGOAYGIK-GFCCVEGCSA-N 0 0 329.356 2.921 10 5 EFBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000596317051 479251259 /nfs/dbraw/zinc/25/12/59/479251259.db2.gz HEROSSBWTLAJIV-HOCLYGCPSA-N 0 0 343.383 2.542 10 5 EFBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000596317050 479251405 /nfs/dbraw/zinc/25/14/05/479251405.db2.gz HEROSSBWTLAJIV-GOEBONIOSA-N 0 0 343.383 2.542 10 5 EFBERN CO[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CCOC1 ZINC000596316264 479251484 /nfs/dbraw/zinc/25/14/84/479251484.db2.gz DILHOCZRKHWRBW-IUODEOHRSA-N 0 0 349.412 2.604 10 5 EFBERN CO[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596316294 479251537 /nfs/dbraw/zinc/25/15/37/479251537.db2.gz DUFJCOQAPFDVBQ-NOZJJQNGSA-N 0 0 345.193 2.821 10 5 EFBERN COc1cc(NC[C@H](OC)[C@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596319099 479252517 /nfs/dbraw/zinc/25/25/17/479252517.db2.gz SYLGZMHJEJTZBZ-XPTSAGLGSA-N 0 0 330.768 2.720 10 5 EFBERN CC(C)n1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000593231714 479252681 /nfs/dbraw/zinc/25/26/81/479252681.db2.gz JQAVWIZVYOGRKC-UHFFFAOYSA-N 0 0 341.274 2.621 10 5 EFBERN CO[C@H](CNc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596319633 479253104 /nfs/dbraw/zinc/25/31/04/479253104.db2.gz YTBFZJYOBBKUOD-BXKDBHETSA-N 0 0 345.193 2.821 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H](CO)C2CCC2)nc1-c1ccc(F)cc1 ZINC000596323397 479253795 /nfs/dbraw/zinc/25/37/95/479253795.db2.gz KWUUWVCDDUHQJZ-CQSZACIVSA-N 0 0 331.347 2.791 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](Cn3ccnn3)C2)cc1C(F)(F)F ZINC000596320975 479254215 /nfs/dbraw/zinc/25/42/15/479254215.db2.gz FUDKINVJOFQPBV-JTQLQIEISA-N 0 0 341.293 2.732 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CO[C@H]2CCCc3c[nH]nc32)c1 ZINC000593237221 479254871 /nfs/dbraw/zinc/25/48/71/479254871.db2.gz LIAQRCROJYAFNV-AWEZNQCLSA-N 0 0 331.328 2.699 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2nc(C3CC3)nc2C2CC2)c1 ZINC000593236382 479254899 /nfs/dbraw/zinc/25/48/99/479254899.db2.gz GLUBXHKVQDOUHT-UHFFFAOYSA-N 0 0 342.355 2.776 10 5 EFBERN CO[C@H](CSCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000596331798 479255723 /nfs/dbraw/zinc/25/57/23/479255723.db2.gz GVLKAIXXXBGGHG-IUODEOHRSA-N 0 0 327.402 2.758 10 5 EFBERN Cc1cc(F)ccc1C[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596328298 479256235 /nfs/dbraw/zinc/25/62/35/479256235.db2.gz PVQPYVZKCJZWIX-LLVKDONJSA-N 0 0 329.335 2.550 10 5 EFBERN COC[C@@H](CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)OC ZINC000596328203 479256324 /nfs/dbraw/zinc/25/63/24/479256324.db2.gz JSLLQKQXYHJQFN-CYBMUJFWSA-N 0 0 337.401 2.604 10 5 EFBERN COC[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CCOCC1 ZINC000596331275 479256621 /nfs/dbraw/zinc/25/66/21/479256621.db2.gz XVEIPKFUHDDYDI-HNNXBMFYSA-N 0 0 331.372 2.997 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000611005691 479259397 /nfs/dbraw/zinc/25/93/97/479259397.db2.gz HVBCDMLOEYHNCR-NEPJUHHUSA-N 0 0 329.356 2.575 10 5 EFBERN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ncnn21 ZINC000596347319 479260606 /nfs/dbraw/zinc/26/06/06/479260606.db2.gz WNTIFZBUVXDQGF-CBAPKCEASA-N 0 0 325.275 2.906 10 5 EFBERN C[C@@H]1C[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ncnn21 ZINC000596346652 479261456 /nfs/dbraw/zinc/26/14/56/479261456.db2.gz RMIWGFJWUALPTG-BXKDBHETSA-N 0 0 342.384 2.850 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000596351084 479262293 /nfs/dbraw/zinc/26/22/93/479262293.db2.gz RBBHCRUCURTRCM-SFYZADRCSA-N 0 0 338.307 2.834 10 5 EFBERN CC[C@@H](NC(=O)N1CCO[C@@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000602268384 479262747 /nfs/dbraw/zinc/26/27/47/479262747.db2.gz MKJLFVLXEIWRQE-LSDHHAIUSA-N 0 0 339.367 2.816 10 5 EFBERN CC[C@H](NC(=O)N1CCO[C@@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000602268382 479263216 /nfs/dbraw/zinc/26/32/16/479263216.db2.gz MKJLFVLXEIWRQE-GJZGRUSLSA-N 0 0 339.367 2.816 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@](O)(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000602274600 479265916 /nfs/dbraw/zinc/26/59/16/479265916.db2.gz UWEHSISVUGNTQS-NVXWUHKLSA-N 0 0 335.404 2.992 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@](O)(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000602274599 479265985 /nfs/dbraw/zinc/26/59/85/479265985.db2.gz UWEHSISVUGNTQS-DOTOQJQBSA-N 0 0 335.404 2.992 10 5 EFBERN C[S@](=O)[C@@H]1CCC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000596365437 479267150 /nfs/dbraw/zinc/26/71/50/479267150.db2.gz IGDYZASLCYSSIN-RFIQDPTOSA-N 0 0 337.445 2.970 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000596368399 479269481 /nfs/dbraw/zinc/26/94/81/479269481.db2.gz ZIFHKOFXOJZHDT-FMKPAKJESA-N 0 0 336.388 2.775 10 5 EFBERN COc1cc(N[C@H](CO)[C@H]2CCC[C@H](OC)C2)c(F)cc1[N+](=O)[O-] ZINC000596371614 479270396 /nfs/dbraw/zinc/27/03/96/479270396.db2.gz YQRXBPBTTROMDM-COPLHBTASA-N 0 0 342.367 2.721 10 5 EFBERN CC(C)(C(=O)N1CC(C)(C)c2ccc(F)cc21)n1cc([N+](=O)[O-])cn1 ZINC000593277130 479271025 /nfs/dbraw/zinc/27/10/25/479271025.db2.gz NKSKESBCNUJDQP-UHFFFAOYSA-N 0 0 346.362 2.990 10 5 EFBERN CCC(C)(C)[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000596375204 479272021 /nfs/dbraw/zinc/27/20/21/479272021.db2.gz IRAVYMMPYAGUOT-SNVBAGLBSA-N 0 0 329.422 2.740 10 5 EFBERN COc1c(C(=O)N[C@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593279464 479272965 /nfs/dbraw/zinc/27/29/65/479272965.db2.gz GJFDBQCBCIXGEH-OAHLLOKOSA-N 0 0 334.372 2.538 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593279960 479273723 /nfs/dbraw/zinc/27/37/23/479273723.db2.gz OCNJTWVYCWDPDP-KRWDZBQOSA-N 0 0 348.399 2.929 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](C1CC1)C1CCOCC1 ZINC000593279913 479273866 /nfs/dbraw/zinc/27/38/66/479273866.db2.gz DPRGOKLYXXZULK-GOSISDBHSA-N 0 0 347.415 2.718 10 5 EFBERN COc1cccc(C(=O)N[C@H](C2CC2)C2CCOCC2)c1[N+](=O)[O-] ZINC000593280000 479274167 /nfs/dbraw/zinc/27/41/67/479274167.db2.gz PHSICPCFTDJLKO-OAHLLOKOSA-N 0 0 334.372 2.538 10 5 EFBERN CC[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593283295 479274885 /nfs/dbraw/zinc/27/48/85/479274885.db2.gz PJITWXRTHJXXPF-GXSJLCMTSA-N 0 0 344.314 2.836 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593282052 479275515 /nfs/dbraw/zinc/27/55/15/479275515.db2.gz WXMVGPAHNDSZTH-KRWDZBQOSA-N 0 0 348.399 2.929 10 5 EFBERN COc1ccc(CSC[C@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000596390443 479276159 /nfs/dbraw/zinc/27/61/59/479276159.db2.gz NQRZYUUGGBDTIL-DOMZBBRYSA-N 0 0 327.402 2.888 10 5 EFBERN C[C@@]1(c2ccccc2F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584907011 479277827 /nfs/dbraw/zinc/27/78/27/479277827.db2.gz IITPOHZVHXYLKZ-MYJWUSKBSA-N 0 0 336.344 2.654 10 5 EFBERN C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000593291462 479279015 /nfs/dbraw/zinc/27/90/15/479279015.db2.gz FJQMYVRDMDNRQS-SNVBAGLBSA-N 0 0 348.790 2.784 10 5 EFBERN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593295486 479281916 /nfs/dbraw/zinc/28/19/16/479281916.db2.gz MNJRSFOBSCLNNZ-NSHDSACASA-N 0 0 344.314 2.837 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000611103829 479282905 /nfs/dbraw/zinc/28/29/05/479282905.db2.gz BHNFNXRNGDEXSF-OAHLLOKOSA-N 0 0 347.415 2.511 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc2oc(=O)[nH]c21 ZINC000557512587 479284242 /nfs/dbraw/zinc/28/42/42/479284242.db2.gz LTFPXWGUMILZNU-UHFFFAOYSA-N 0 0 327.296 2.714 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccn2)C2CCC2)cc1 ZINC000599412724 479287916 /nfs/dbraw/zinc/28/79/16/479287916.db2.gz PWLNCPFAQDRXEL-INIZCTEOSA-N 0 0 347.396 2.810 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596420714 479287904 /nfs/dbraw/zinc/28/79/04/479287904.db2.gz ZRPOXERVDNBDII-SUMWQHHRSA-N 0 0 343.383 2.559 10 5 EFBERN CCOc1ccc(C(=O)N2C[C@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593315375 479289758 /nfs/dbraw/zinc/28/97/58/479289758.db2.gz DNVTWGAWZLUUHI-LBPRGKRZSA-N 0 0 334.372 2.777 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000593316501 479291053 /nfs/dbraw/zinc/29/10/53/479291053.db2.gz SOPAWBOWLVDHFM-WBVHZDCISA-N 0 0 341.367 2.569 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](C1CC1)C1CCOCC1 ZINC000593316810 479291156 /nfs/dbraw/zinc/29/11/56/479291156.db2.gz XXHUQWMDIVTYDA-INIZCTEOSA-N 0 0 333.388 2.599 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H](C1CC1)C1CCOCC1 ZINC000593316811 479291591 /nfs/dbraw/zinc/29/15/91/479291591.db2.gz XXHUQWMDIVTYDA-MRXNPFEDSA-N 0 0 333.388 2.599 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](O)C(F)(F)C1 ZINC000596427869 479291896 /nfs/dbraw/zinc/29/18/96/479291896.db2.gz BJZYSJZVRQBRIS-JTQLQIEISA-N 0 0 326.221 2.820 10 5 EFBERN CO[C@@]1(CO)CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000596428378 479291923 /nfs/dbraw/zinc/29/19/23/479291923.db2.gz FOYXGOLOTBSFPP-KRWDZBQOSA-N 0 0 338.404 2.750 10 5 EFBERN COc1cc(C(=O)N2C[C@@H](C)OCC23CCC3)cc([N+](=O)[O-])c1C ZINC000593319523 479292456 /nfs/dbraw/zinc/29/24/56/479292456.db2.gz MFMUPBVZYXZSBW-LLVKDONJSA-N 0 0 334.372 2.695 10 5 EFBERN Cc1c(CN(C)C(=O)Cn2cc([N+](=O)[O-])cn2)oc2c1cccc2C ZINC000593319467 479292628 /nfs/dbraw/zinc/29/26/28/479292628.db2.gz JYUCHRXBAHXKMF-UHFFFAOYSA-N 0 0 342.355 2.813 10 5 EFBERN NC(=O)c1ccnc(N2CC3(CCCC3)[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000596436388 479294392 /nfs/dbraw/zinc/29/43/92/479294392.db2.gz IZYOBLVSEZPCJD-AWEZNQCLSA-N 0 0 342.355 2.803 10 5 EFBERN CCC(F)(F)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599431929 479294948 /nfs/dbraw/zinc/29/49/48/479294948.db2.gz USTCWYZKZZWTCX-UHFFFAOYSA-N 0 0 328.724 2.572 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCc3cccc(F)c32)c1[N+](=O)[O-] ZINC000557626646 479295548 /nfs/dbraw/zinc/29/55/48/479295548.db2.gz GXYNCKBUOOBJFL-UHFFFAOYSA-N 0 0 331.303 2.918 10 5 EFBERN C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611147042 479295760 /nfs/dbraw/zinc/29/57/60/479295760.db2.gz NBNFKGZQTCGPQE-CYBMUJFWSA-N 0 0 328.372 2.635 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC(CC(F)(F)F)C1 ZINC000611155720 479296691 /nfs/dbraw/zinc/29/66/91/479296691.db2.gz VQIRUAXRQAFEKJ-UHFFFAOYSA-N 0 0 331.294 2.731 10 5 EFBERN Cn1ncc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1C(F)F ZINC000611159863 479297761 /nfs/dbraw/zinc/29/77/61/479297761.db2.gz YHGWITSAQXBOMA-UHFFFAOYSA-N 0 0 340.286 2.674 10 5 EFBERN Cn1ncc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1C(F)F ZINC000611163254 479298432 /nfs/dbraw/zinc/29/84/32/479298432.db2.gz IJZGYFVQIVIFGH-UHFFFAOYSA-N 0 0 339.302 2.630 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000593328770 479298738 /nfs/dbraw/zinc/29/87/38/479298738.db2.gz VJGSPBICOCSONW-ZDUSSCGKSA-N 0 0 342.399 2.678 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](C1CC1)C1CCOCC1 ZINC000593330837 479298918 /nfs/dbraw/zinc/29/89/18/479298918.db2.gz MEPFEPBJVLVORC-INIZCTEOSA-N 0 0 333.388 2.599 10 5 EFBERN O=C(NC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000611168839 479299401 /nfs/dbraw/zinc/29/94/01/479299401.db2.gz CADKTRIUEAWSDW-UHFFFAOYSA-N 0 0 341.367 2.859 10 5 EFBERN CC(C)(C)OC(=O)CCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000596450168 479299914 /nfs/dbraw/zinc/29/99/14/479299914.db2.gz QPVCAQDZCJYPPU-UHFFFAOYSA-N 0 0 336.392 2.723 10 5 EFBERN COc1ccc(S(=O)(=O)NCC[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000599446842 479300375 /nfs/dbraw/zinc/30/03/75/479300375.db2.gz ZCKDPSIABOZPIH-GFCCVEGCSA-N 0 0 340.401 2.628 10 5 EFBERN CC[C@@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596453140 479300827 /nfs/dbraw/zinc/30/08/27/479300827.db2.gz GTJICCXEHZTUJD-MRXNPFEDSA-N 0 0 347.415 2.896 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1C[C@@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000596452445 479301240 /nfs/dbraw/zinc/30/12/40/479301240.db2.gz DFYZCONZXDHXCO-RRFJBIMHSA-N 0 0 333.388 2.649 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC000599444691 479301302 /nfs/dbraw/zinc/30/13/02/479301302.db2.gz BJPKXOZIYNHRSZ-CQSZACIVSA-N 0 0 338.429 2.803 10 5 EFBERN CCOc1ccc(NC(=O)CN2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179597 479303921 /nfs/dbraw/zinc/30/39/21/479303921.db2.gz FQOYJMUOOYDSJI-JTQLQIEISA-N 0 0 343.330 2.519 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@](O)(C2CC2)C1 ZINC000596461190 479305150 /nfs/dbraw/zinc/30/51/50/479305150.db2.gz CYHNPBCAQSNDKX-GOSISDBHSA-N 0 0 343.383 2.893 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000599459663 479305492 /nfs/dbraw/zinc/30/54/92/479305492.db2.gz MQXQFPNHZXBCIE-QWHCGFSZSA-N 0 0 338.410 2.799 10 5 EFBERN Cc1cccc([C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(C)C)c1 ZINC000599465798 479306180 /nfs/dbraw/zinc/30/61/80/479306180.db2.gz RPDGFNGPXCSYCQ-HNNXBMFYSA-N 0 0 349.412 2.974 10 5 EFBERN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000596463765 479306165 /nfs/dbraw/zinc/30/61/65/479306165.db2.gz PVQBOIMVZGUBFU-RKDXNWHRSA-N 0 0 329.194 2.810 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@@](O)(C3CC3)C2)c(C(F)(F)F)c1 ZINC000596463671 479306267 /nfs/dbraw/zinc/30/62/67/479306267.db2.gz OYPSCIYTVNLMOH-ZDUSSCGKSA-N 0 0 331.294 2.750 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000596466025 479306605 /nfs/dbraw/zinc/30/66/05/479306605.db2.gz OGDXGMJQROPMCQ-AWEZNQCLSA-N 0 0 331.328 2.510 10 5 EFBERN COc1cc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596466575 479307011 /nfs/dbraw/zinc/30/70/11/479307011.db2.gz RVFGAGYNSIIELO-RKDXNWHRSA-N 0 0 348.808 2.634 10 5 EFBERN COc1cc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596466573 479307252 /nfs/dbraw/zinc/30/72/52/479307252.db2.gz RVFGAGYNSIIELO-DTWKUNHWSA-N 0 0 348.808 2.634 10 5 EFBERN C[C@H](CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000599469274 479307564 /nfs/dbraw/zinc/30/75/64/479307564.db2.gz UKWLWQKRTQYRDU-GFCCVEGCSA-N 0 0 341.433 2.827 10 5 EFBERN O=C(NCCO[C@H]1CC1(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596468131 479307752 /nfs/dbraw/zinc/30/77/52/479307752.db2.gz ZYIVOKBPVHGXQH-JTQLQIEISA-N 0 0 335.694 2.794 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@]2(CC2(F)F)C1 ZINC000593353965 479307748 /nfs/dbraw/zinc/30/77/48/479307748.db2.gz MYDWZDFXCWSURM-CYBMUJFWSA-N 0 0 332.253 2.673 10 5 EFBERN C[C@@H](CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000599469275 479307903 /nfs/dbraw/zinc/30/79/03/479307903.db2.gz UKWLWQKRTQYRDU-LBPRGKRZSA-N 0 0 341.433 2.827 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1O ZINC000596468036 479308119 /nfs/dbraw/zinc/30/81/19/479308119.db2.gz FVTABLWEYIHWCA-RKDXNWHRSA-N 0 0 327.768 2.729 10 5 EFBERN CCNc1ccc(C(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593356773 479308752 /nfs/dbraw/zinc/30/87/52/479308752.db2.gz QXAKCDRSQOLRLS-AWEZNQCLSA-N 0 0 325.315 2.898 10 5 EFBERN CCc1nn(C)c(NC[C@@H]2C[C@H](c3ccccc3)CO2)c1[N+](=O)[O-] ZINC000596475215 479310402 /nfs/dbraw/zinc/31/04/02/479310402.db2.gz WUMUJEYHVPFIJY-KBPBESRZSA-N 0 0 330.388 2.875 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596477610 479311227 /nfs/dbraw/zinc/31/12/27/479311227.db2.gz DOGHDQGESPFHST-LDYMZIIASA-N 0 0 333.266 2.778 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@]2(CC2(F)F)C1 ZINC000593360819 479311267 /nfs/dbraw/zinc/31/12/67/479311267.db2.gz VKWYPFKBPAMANE-HNNXBMFYSA-N 0 0 335.310 2.876 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000596479674 479311453 /nfs/dbraw/zinc/31/14/53/479311453.db2.gz OMXIMYSDUJDZKJ-KBPBESRZSA-N 0 0 335.404 2.789 10 5 EFBERN Cc1c(Br)c(N2C[C@H]3COC[C@@]3(C)C2)ncc1[N+](=O)[O-] ZINC000596479801 479311670 /nfs/dbraw/zinc/31/16/70/479311670.db2.gz KVRWDIVGPYMMHN-TVQRCGJNSA-N 0 0 342.193 2.533 10 5 EFBERN Cc1c(Br)c(N2C[C@@H]3COC[C@@]3(C)C2)ncc1[N+](=O)[O-] ZINC000596479799 479311719 /nfs/dbraw/zinc/31/17/19/479311719.db2.gz KVRWDIVGPYMMHN-NOZJJQNGSA-N 0 0 342.193 2.533 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](CCF)C2)s1 ZINC000596480608 479312640 /nfs/dbraw/zinc/31/26/40/479312640.db2.gz NOYPOHRMZZQKFZ-VIFPVBQESA-N 0 0 336.410 2.636 10 5 EFBERN Cc1cc(Oc2ccc([N+](=O)[O-])c(OC(C)C)n2)ccc1C(N)=O ZINC000596486801 479314334 /nfs/dbraw/zinc/31/43/34/479314334.db2.gz CJSRQHGYHUQXMO-UHFFFAOYSA-N 0 0 331.328 2.977 10 5 EFBERN CCOCc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000585703239 479314539 /nfs/dbraw/zinc/31/45/39/479314539.db2.gz WSCOJAYBEKNLET-UHFFFAOYSA-N 0 0 331.372 2.818 10 5 EFBERN CC[C@@H](NC(=O)NCCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593372184 479315124 /nfs/dbraw/zinc/31/51/24/479315124.db2.gz YEZZWERMCGQXSP-OAHLLOKOSA-N 0 0 335.404 2.898 10 5 EFBERN COC(=O)C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000596490839 479315866 /nfs/dbraw/zinc/31/58/66/479315866.db2.gz GDDMXPLYINCETK-VIFPVBQESA-N 0 0 336.373 2.601 10 5 EFBERN C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000596493788 479316153 /nfs/dbraw/zinc/31/61/53/479316153.db2.gz KBCWIXFPMWEZQT-BDAKNGLRSA-N 0 0 330.182 2.756 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC2(CC2)CC1 ZINC000599508804 479316508 /nfs/dbraw/zinc/31/65/08/479316508.db2.gz ZRTUEBJXOAHFSV-UHFFFAOYSA-N 0 0 340.401 2.558 10 5 EFBERN COc1cc(OCC(=O)Nc2ccnc(SC)c2)ccc1[N+](=O)[O-] ZINC000611230698 479317455 /nfs/dbraw/zinc/31/74/55/479317455.db2.gz SZWXIUWJBGOCRY-UHFFFAOYSA-N 0 0 349.368 2.738 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000611236820 479318250 /nfs/dbraw/zinc/31/82/50/479318250.db2.gz DEYOSMYVFDXYPO-CYBMUJFWSA-N 0 0 332.335 2.835 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000596501465 479318961 /nfs/dbraw/zinc/31/89/61/479318961.db2.gz FMOZRJMPDVSCJV-MNOVXSKESA-N 0 0 340.763 2.750 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593383712 479319450 /nfs/dbraw/zinc/31/94/50/479319450.db2.gz JMFYNOYYCLAXIK-CQSZACIVSA-N 0 0 325.315 2.578 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593383710 479319839 /nfs/dbraw/zinc/31/98/39/479319839.db2.gz JMFYNOYYCLAXIK-AWEZNQCLSA-N 0 0 325.315 2.578 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000599521979 479320456 /nfs/dbraw/zinc/32/04/56/479320456.db2.gz XFGIAHQARMQJSD-CQSZACIVSA-N 0 0 338.429 2.637 10 5 EFBERN Cc1ccc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c([N+](=O)[O-])c1 ZINC000596514095 479323042 /nfs/dbraw/zinc/32/30/42/479323042.db2.gz HUTKDVOMJKHLSL-IAGOWNOFSA-N 0 0 331.416 2.959 10 5 EFBERN CC1(C)[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1(F)F ZINC000596512219 479323231 /nfs/dbraw/zinc/32/32/31/479323231.db2.gz AHPFEPWAZRRRRV-ZETCQYMHSA-N 0 0 340.373 2.763 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC1CCC(O)CC1 ZINC000596516016 479324034 /nfs/dbraw/zinc/32/40/34/479324034.db2.gz SIWZXSLTAFJHQE-UHFFFAOYSA-N 0 0 340.351 2.874 10 5 EFBERN Cc1c(Br)c(N[C@@H]2C[C@@H](O)C23CCC3)ncc1[N+](=O)[O-] ZINC000596515500 479324600 /nfs/dbraw/zinc/32/46/00/479324600.db2.gz YVQQIDJCUOKKHD-NXEZZACHSA-N 0 0 342.193 2.776 10 5 EFBERN CC(C)[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC000596516886 479325117 /nfs/dbraw/zinc/32/51/17/479325117.db2.gz IWRXVHXRKLMCIU-DLBZAZTESA-N 0 0 343.383 2.864 10 5 EFBERN CC(C)[C@H](O)[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000596517160 479325189 /nfs/dbraw/zinc/32/51/89/479325189.db2.gz ZVDZLLGKPBUPLJ-IRXDYDNUSA-N 0 0 343.383 2.864 10 5 EFBERN CCO[C@@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000599542597 479325422 /nfs/dbraw/zinc/32/54/22/479325422.db2.gz BSJDDHKUAVAXDC-MRXNPFEDSA-N 0 0 337.420 2.883 10 5 EFBERN CCO[C@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000599542596 479325600 /nfs/dbraw/zinc/32/56/00/479325600.db2.gz BSJDDHKUAVAXDC-INIZCTEOSA-N 0 0 337.420 2.883 10 5 EFBERN COc1cc(N2CCC[C@@H](c3ccncn3)C2)c(F)cc1[N+](=O)[O-] ZINC000611255772 479325982 /nfs/dbraw/zinc/32/59/82/479325982.db2.gz RRVYGKGHAHDQTO-LLVKDONJSA-N 0 0 332.335 2.917 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2cccnc2)CC1 ZINC000611257310 479326216 /nfs/dbraw/zinc/32/62/16/479326216.db2.gz TZHCVCDZTRRIKY-UHFFFAOYSA-N 0 0 347.396 2.558 10 5 EFBERN Cc1cc(N2C[C@@H](F)C[C@H]2CO)c(Br)cc1[N+](=O)[O-] ZINC000585785613 479326443 /nfs/dbraw/zinc/32/64/43/479326443.db2.gz QITRVJWOVNWRRT-IUCAKERBSA-N 0 0 333.157 2.575 10 5 EFBERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000599547998 479327352 /nfs/dbraw/zinc/32/73/52/479327352.db2.gz IEMANRWFPCCRGC-MRXNPFEDSA-N 0 0 348.330 2.989 10 5 EFBERN C[C@H](NC(=O)Cc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593410765 479329437 /nfs/dbraw/zinc/32/94/37/479329437.db2.gz DOVIAHLKVNPATC-LBPRGKRZSA-N 0 0 328.372 2.548 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552423 479329608 /nfs/dbraw/zinc/32/96/08/479329608.db2.gz CAAYZUCQAPVIHD-KGLIPLIRSA-N 0 0 335.429 2.812 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000596536670 479332413 /nfs/dbraw/zinc/33/24/13/479332413.db2.gz SEXOOPQUEZYZHL-LLVKDONJSA-N 0 0 325.796 2.989 10 5 EFBERN CC(C)(C)C(F)(F)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596539651 479333083 /nfs/dbraw/zinc/33/30/83/479333083.db2.gz ASKJQEWOAZLYPS-UHFFFAOYSA-N 0 0 326.303 2.759 10 5 EFBERN CCOC(=O)CCC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000611274962 479333826 /nfs/dbraw/zinc/33/38/26/479333826.db2.gz GSHLQHAKNJPAJR-UHFFFAOYSA-N 0 0 336.388 2.856 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCC(=O)OC(C)(C)C)c1 ZINC000593421700 479334190 /nfs/dbraw/zinc/33/41/90/479334190.db2.gz AXFZEEUZDPMRAD-UHFFFAOYSA-N 0 0 341.385 2.956 10 5 EFBERN CCOC(=O)[C@@H](CC)SCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593422910 479334310 /nfs/dbraw/zinc/33/43/10/479334310.db2.gz OMCOZVBPDBDOBR-CYBMUJFWSA-N 0 0 341.385 2.956 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596541288 479334445 /nfs/dbraw/zinc/33/44/45/479334445.db2.gz DGOPHVMIJSGFHU-CYBMUJFWSA-N 0 0 325.368 2.860 10 5 EFBERN C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000585808134 479334943 /nfs/dbraw/zinc/33/49/43/479334943.db2.gz DMMXEHQPJYMMLE-SSDOTTSWSA-N 0 0 346.181 2.638 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](C2CCCCC2)C1 ZINC000596544332 479335269 /nfs/dbraw/zinc/33/52/69/479335269.db2.gz OEWKLPZYDYUOKN-ZDUSSCGKSA-N 0 0 332.404 2.885 10 5 EFBERN CCOC(=O)C12CC(C1)CN2c1ccc([N+](=O)[O-])c2cnccc21 ZINC000596544527 479335701 /nfs/dbraw/zinc/33/57/01/479335701.db2.gz PQYSYMDNOBBOTG-UHFFFAOYSA-N 0 0 327.340 2.675 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(CC(N)=O)CCCCC2)c1 ZINC000596545923 479335742 /nfs/dbraw/zinc/33/57/42/479335742.db2.gz YAYCDJLDXAVOJJ-UHFFFAOYSA-N 0 0 349.387 2.619 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CCOC1(C)C ZINC000596546723 479335826 /nfs/dbraw/zinc/33/58/26/479335826.db2.gz ULUDUVFNFDYEGW-NSHDSACASA-N 0 0 331.372 2.801 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)[C@H](C)c2ccccc2)c1 ZINC000596547882 479335834 /nfs/dbraw/zinc/33/58/34/479335834.db2.gz MJVPXVNIFSUVGB-PXAZEXFGSA-N 0 0 344.367 2.958 10 5 EFBERN O=[N+]([O-])c1cnccc1NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000596551627 479336199 /nfs/dbraw/zinc/33/61/99/479336199.db2.gz HLKWQFFTJMKATJ-INIZCTEOSA-N 0 0 343.383 2.719 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](CC(F)(F)F)C3)c21 ZINC000596556980 479338256 /nfs/dbraw/zinc/33/82/56/479338256.db2.gz DIZVBYXSVPLDOR-SECBINFHSA-N 0 0 342.277 2.696 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000596558206 479339059 /nfs/dbraw/zinc/33/90/59/479339059.db2.gz OYYNCBMFWCOJPR-SNVBAGLBSA-N 0 0 348.277 2.539 10 5 EFBERN CC(C)Oc1nc(N[C@@H](c2ccccc2)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000596567119 479342794 /nfs/dbraw/zinc/34/27/94/479342794.db2.gz OZTOHTPPCXRKSW-MLGOLLRUSA-N 0 0 331.372 2.733 10 5 EFBERN COC(=O)c1cnc([C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000596570611 479342912 /nfs/dbraw/zinc/34/29/12/479342912.db2.gz TWTNTGHCFQSQBY-JTQLQIEISA-N 0 0 348.384 2.617 10 5 EFBERN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596571957 479344313 /nfs/dbraw/zinc/34/43/13/479344313.db2.gz BRPGYYZAOQGXGY-JVXZTZIISA-N 0 0 332.332 2.553 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@](C)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000596572847 479344331 /nfs/dbraw/zinc/34/43/31/479344331.db2.gz HICRKFQZRHJTBK-RTHLEPHNSA-N 0 0 334.294 2.991 10 5 EFBERN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000596572539 479344530 /nfs/dbraw/zinc/34/45/30/479344530.db2.gz FLKNKONHDILQGH-JTQLQIEISA-N 0 0 342.355 2.587 10 5 EFBERN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@](C)(C(F)F)O1 ZINC000596576104 479345147 /nfs/dbraw/zinc/34/51/47/479345147.db2.gz ZXZBUFSGGXVUEZ-VFZGTOFNSA-N 0 0 338.314 2.787 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1C(F)(F)F ZINC000599597366 479347617 /nfs/dbraw/zinc/34/76/17/479347617.db2.gz XTWXBWUPGKLDQZ-LBPRGKRZSA-N 0 0 331.294 2.868 10 5 EFBERN CC(C)(C)OC(=O)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC000596583345 479347893 /nfs/dbraw/zinc/34/78/93/479347893.db2.gz KZPOIZXGNLUXNQ-NSHDSACASA-N 0 0 337.376 2.865 10 5 EFBERN Cn1cnnc1[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593458076 479349847 /nfs/dbraw/zinc/34/98/47/479349847.db2.gz PACIFARAAHQERC-GFCCVEGCSA-N 0 0 338.371 2.656 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000586777294 479349860 /nfs/dbraw/zinc/34/98/60/479349860.db2.gz KPNHIRPFZDDKPO-PELKAZGASA-N 0 0 344.293 2.623 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000586777296 479350159 /nfs/dbraw/zinc/35/01/59/479350159.db2.gz KPNHIRPFZDDKPO-QPUJVOFHSA-N 0 0 344.293 2.623 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000586777713 479350186 /nfs/dbraw/zinc/35/01/86/479350186.db2.gz WAZBYODEEVLEGQ-GXFFZTMASA-N 0 0 334.294 2.625 10 5 EFBERN NC(=O)CC[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593461462 479350798 /nfs/dbraw/zinc/35/07/98/479350798.db2.gz LSTDCKXOEJRNFG-LBPRGKRZSA-N 0 0 328.372 2.625 10 5 EFBERN COC(=O)[C@H]1CC12CCN(c1ccnc3cc([N+](=O)[O-])ccc31)CC2 ZINC000593461336 479350974 /nfs/dbraw/zinc/35/09/74/479350974.db2.gz KDHFGJRUWGLYPB-CQSZACIVSA-N 0 0 341.367 2.923 10 5 EFBERN CCOC(=O)[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593460022 479351107 /nfs/dbraw/zinc/35/11/07/479351107.db2.gz ZPCFZFGMIZHWBU-GFCCVEGCSA-N 0 0 329.356 2.923 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000586777832 479351684 /nfs/dbraw/zinc/35/16/84/479351684.db2.gz YVZWHXCAYIBWDL-RNCFNFMXSA-N 0 0 334.294 2.755 10 5 EFBERN Cc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000586784268 479353091 /nfs/dbraw/zinc/35/30/91/479353091.db2.gz VTXOCIZQBYHNJH-GFCCVEGCSA-N 0 0 332.385 2.686 10 5 EFBERN CCOC1(c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)CCC1 ZINC000596597073 479353468 /nfs/dbraw/zinc/35/34/68/479353468.db2.gz ZGTQCWDAQNDYSI-UHFFFAOYSA-N 0 0 333.344 2.993 10 5 EFBERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593466608 479354482 /nfs/dbraw/zinc/35/44/82/479354482.db2.gz ZHURZDVRPPXLBO-UVWXRNBGSA-N 0 0 326.356 2.564 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000593468480 479355177 /nfs/dbraw/zinc/35/51/77/479355177.db2.gz FWSQIINTSSVTTR-SJCJKPOMSA-N 0 0 329.356 2.893 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCOC2(CCOCC2)C1 ZINC000593468711 479355605 /nfs/dbraw/zinc/35/56/05/479355605.db2.gz XDHHXIBVPOQYNO-UHFFFAOYSA-N 0 0 329.356 2.529 10 5 EFBERN COCCn1cc(CNc2ccnc3cc([N+](=O)[O-])ccc32)cn1 ZINC000593476409 479358512 /nfs/dbraw/zinc/35/85/12/479358512.db2.gz YQEXWHDGMMPZRO-UHFFFAOYSA-N 0 0 327.344 2.598 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(Cc2ccc(C)c(C)c2)no1 ZINC000596613402 479358572 /nfs/dbraw/zinc/35/85/72/479358572.db2.gz CTPQGTBZIMDSCA-UHFFFAOYSA-N 0 0 327.344 2.739 10 5 EFBERN CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593476384 479358730 /nfs/dbraw/zinc/35/87/30/479358730.db2.gz YBEBFPCUBLPXOS-ZBEGNZNMSA-N 0 0 333.388 2.713 10 5 EFBERN COCCO[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593476076 479358974 /nfs/dbraw/zinc/35/89/74/479358974.db2.gz WQLVHDFARZHAGC-CQSZACIVSA-N 0 0 331.372 2.775 10 5 EFBERN COC(=O)[C@]1(C)CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593479995 479359280 /nfs/dbraw/zinc/35/92/80/479359280.db2.gz RTWKRTVYEDVTAX-QGZVFWFLSA-N 0 0 329.356 2.923 10 5 EFBERN CCCN1C[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593479938 479359482 /nfs/dbraw/zinc/35/94/82/479359482.db2.gz PXBYIRSMVUREQU-GFCCVEGCSA-N 0 0 328.372 2.813 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC(C3(O)CC3)CC2)c(C(F)(F)F)c1 ZINC000593483429 479361278 /nfs/dbraw/zinc/36/12/78/479361278.db2.gz YYKNLYXFJGFZOA-UHFFFAOYSA-N 0 0 331.294 2.750 10 5 EFBERN COc1cccc(NC[C@]2(CO)CCc3ccccc32)c1[N+](=O)[O-] ZINC000593483577 479361488 /nfs/dbraw/zinc/36/14/88/479361488.db2.gz DUPLRWHSIFKCGQ-SFHVURJKSA-N 0 0 328.368 2.892 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000593483528 479361504 /nfs/dbraw/zinc/36/15/04/479361504.db2.gz ZIQLBEGEINGFAH-YMTOWFKASA-N 0 0 341.289 2.893 10 5 EFBERN CN1CCCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000586835981 479361961 /nfs/dbraw/zinc/36/19/61/479361961.db2.gz UDFCMKBHJIYZDB-GFCCVEGCSA-N 0 0 342.193 2.780 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000596625269 479362232 /nfs/dbraw/zinc/36/22/32/479362232.db2.gz RJMURZSNEPCDAQ-NSHDSACASA-N 0 0 335.360 2.779 10 5 EFBERN Nc1c(F)c(NC[C@@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000593484093 479362449 /nfs/dbraw/zinc/36/24/49/479362449.db2.gz NCWHVXKITRKVAI-QGZVFWFLSA-N 0 0 331.347 2.605 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C2(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000586834532 479362438 /nfs/dbraw/zinc/36/24/38/479362438.db2.gz VCONDODFCGCMRT-UHFFFAOYSA-N 0 0 345.399 2.890 10 5 EFBERN CC[C@H](NC(=O)c1cnn(CCCOC)c1)c1cccc([N+](=O)[O-])c1 ZINC000599635746 479362822 /nfs/dbraw/zinc/36/28/22/479362822.db2.gz VFUOEBNISBWQIH-INIZCTEOSA-N 0 0 346.387 2.709 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1NC[C@]1(CO)CCc3ccccc31)CCN2 ZINC000593485246 479362814 /nfs/dbraw/zinc/36/28/14/479362814.db2.gz UUJBXROVEBZWAN-IBGZPJMESA-N 0 0 339.395 2.851 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)Cn2ccc(C(F)F)n2)cc1[N+](=O)[O-] ZINC000599637972 479362876 /nfs/dbraw/zinc/36/28/76/479362876.db2.gz YNDYBVNOAVIEQX-JTQLQIEISA-N 0 0 338.314 2.915 10 5 EFBERN Cc1ccc(NC(=O)Nc2ccn(C3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000596625967 479363705 /nfs/dbraw/zinc/36/37/05/479363705.db2.gz HPBQUZRBQAOSRN-UHFFFAOYSA-N 0 0 345.359 2.517 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593489189 479364442 /nfs/dbraw/zinc/36/44/42/479364442.db2.gz GKLHDEJEHHHYPU-UHFFFAOYSA-N 0 0 336.289 2.990 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1N1CCn2c(CC3CC3)nnc2C1 ZINC000593490518 479364658 /nfs/dbraw/zinc/36/46/58/479364658.db2.gz ONFVZRCFAJXQFV-UHFFFAOYSA-N 0 0 333.779 2.812 10 5 EFBERN Cc1c(NC(=O)N2CC(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000596634654 479365159 /nfs/dbraw/zinc/36/51/59/479365159.db2.gz AWZYXZHIHYEDTI-UHFFFAOYSA-N 0 0 335.360 2.709 10 5 EFBERN CCOc1cc(N2CCn3c(CC4CC4)nnc3C2)ccc1[N+](=O)[O-] ZINC000593492167 479365273 /nfs/dbraw/zinc/36/52/73/479365273.db2.gz WDLCNOLWPOWAPQ-UHFFFAOYSA-N 0 0 343.387 2.558 10 5 EFBERN O=c1[nH]c(N[C@@H](C2CC2)C2CCOCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000593492206 479365340 /nfs/dbraw/zinc/36/53/40/479365340.db2.gz SLYDWRWXEQXFFW-HNNXBMFYSA-N 0 0 344.371 2.861 10 5 EFBERN COC(=O)c1cc(-c2nnc(C3CC3)n2C2CC2)cc([N+](=O)[O-])c1 ZINC000596635669 479366296 /nfs/dbraw/zinc/36/62/96/479366296.db2.gz IQRDPUUJDVIGJL-UHFFFAOYSA-N 0 0 328.328 2.852 10 5 EFBERN COC(=O)[C@](C)(NCc1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000599646755 479366854 /nfs/dbraw/zinc/36/68/54/479366854.db2.gz LHWVSPCSYYPUIN-MRXNPFEDSA-N 0 0 349.774 2.821 10 5 EFBERN COC(=O)[C@@](C)(NCc1c(C)nsc1C)c1cccc([N+](=O)[O-])c1 ZINC000599647266 479367403 /nfs/dbraw/zinc/36/74/03/479367403.db2.gz BRAATYOOEIHSOW-INIZCTEOSA-N 0 0 349.412 2.846 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC(Cn2cnnc2)CC1 ZINC000593499783 479367468 /nfs/dbraw/zinc/36/74/68/479367468.db2.gz AKSFADQIKMGXLR-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN Cn1c2cc(NCCc3ccsc3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587152747 479370772 /nfs/dbraw/zinc/37/07/72/479370772.db2.gz SEJDEQREFCAIOP-UHFFFAOYSA-N 0 0 332.385 2.501 10 5 EFBERN CC(C)CCOC1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587300104 479370808 /nfs/dbraw/zinc/37/08/08/479370808.db2.gz GXKOQCHBFHNOKQ-UHFFFAOYSA-N 0 0 337.420 2.701 10 5 EFBERN CCOc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1OC ZINC000587197407 479371018 /nfs/dbraw/zinc/37/10/18/479371018.db2.gz KDUGXCZLHDFOPA-UHFFFAOYSA-N 0 0 347.371 2.689 10 5 EFBERN CC1(C)C(=O)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596646886 479371164 /nfs/dbraw/zinc/37/11/64/479371164.db2.gz ZVEKQFIHXNKSJK-QGZVFWFLSA-N 0 0 340.379 2.994 10 5 EFBERN Cc1cc2c(cc1-c1cc([N+](=O)[O-])ccc1CCO)NC(=O)[C@H](C)O2 ZINC000596647323 479371278 /nfs/dbraw/zinc/37/12/78/479371278.db2.gz FWFUCAPNJMPQHC-NSHDSACASA-N 0 0 342.351 2.824 10 5 EFBERN O=C(c1cc(NCCC2(CO)CCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000593511910 479371302 /nfs/dbraw/zinc/37/13/02/479371302.db2.gz GIPGFWAECODGBG-UHFFFAOYSA-N 0 0 347.415 2.795 10 5 EFBERN Cc1sc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000587416097 479371602 /nfs/dbraw/zinc/37/16/02/479371602.db2.gz NHLJLYYWGKKTII-LDWIPMOCSA-N 0 0 338.307 2.757 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(OC(F)F)cc2CO)c1 ZINC000596647419 479371701 /nfs/dbraw/zinc/37/17/01/479371701.db2.gz JTVGKTDFEKUNSA-UHFFFAOYSA-N 0 0 339.294 2.890 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000587416227 479371788 /nfs/dbraw/zinc/37/17/88/479371788.db2.gz SRXLNZGAIIBEOI-SKDRFNHKSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000587416209 479371891 /nfs/dbraw/zinc/37/18/91/479371891.db2.gz SIUITTLGTXMFOW-CABZTGNLSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000587416210 479371931 /nfs/dbraw/zinc/37/19/31/479371931.db2.gz SIUITTLGTXMFOW-JOYOIKCWSA-N 0 0 332.278 2.695 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000587404716 479371969 /nfs/dbraw/zinc/37/19/69/479371969.db2.gz FOKWXYNPOKHLGZ-RDDDGLTNSA-N 0 0 336.241 2.526 10 5 EFBERN CN(CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1F ZINC000587396976 479371982 /nfs/dbraw/zinc/37/19/82/479371982.db2.gz GSIHYDVVTNLBGN-UHFFFAOYSA-N 0 0 348.378 2.747 10 5 EFBERN Cc1ccc(C)n1C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587607547 479372972 /nfs/dbraw/zinc/37/29/72/479372972.db2.gz JORMNNHTVCTZMX-UHFFFAOYSA-N 0 0 344.415 2.929 10 5 EFBERN COC(=O)[C@](C)(NCCC1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599654549 479373159 /nfs/dbraw/zinc/37/31/59/479373159.db2.gz RDCLAAPLSSLDTH-MRXNPFEDSA-N 0 0 336.388 2.532 10 5 EFBERN COC(=O)[C@@](C)(NCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599655058 479373414 /nfs/dbraw/zinc/37/34/14/479373414.db2.gz VBUOYJRLXRSMGM-WBVHZDCISA-N 0 0 336.388 2.532 10 5 EFBERN Cn1c(=O)ccc2c1CCC[C@H]2Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000593519207 479374836 /nfs/dbraw/zinc/37/48/36/479374836.db2.gz FFWWGMADPRBHQZ-SNVBAGLBSA-N 0 0 332.335 2.504 10 5 EFBERN CCOc1ccccc1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587830068 479375686 /nfs/dbraw/zinc/37/56/86/479375686.db2.gz XKPCVBQZZOLBPF-UHFFFAOYSA-N 0 0 331.372 2.723 10 5 EFBERN COC(=O)[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1C1CC1 ZINC000593521780 479376059 /nfs/dbraw/zinc/37/60/59/479376059.db2.gz JWCDFEXQFJIZLS-UONOGXRCSA-N 0 0 345.399 2.504 10 5 EFBERN COc1cccc2c1OCC[C@@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587771209 479376143 /nfs/dbraw/zinc/37/61/43/479376143.db2.gz IZCIMTQSBUNPPM-AWEZNQCLSA-N 0 0 345.355 2.614 10 5 EFBERN COc1cc(N[C@H]2CCCc3c2ccc(=O)n3C)ccc1[N+](=O)[O-] ZINC000593520939 479376458 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COc1cccc(C[C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587977676 479378214 /nfs/dbraw/zinc/37/82/14/479378214.db2.gz WDRWTSSSMZNAQC-LLVKDONJSA-N 0 0 331.372 2.721 10 5 EFBERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000611430041 479378334 /nfs/dbraw/zinc/37/83/34/479378334.db2.gz RLPXYUTXEYHCKM-ULKVUYOBSA-N 0 0 331.372 2.865 10 5 EFBERN COc1ccccc1[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587982584 479378995 /nfs/dbraw/zinc/37/89/95/479378995.db2.gz XCIXSTPYFHYLAW-GFCCVEGCSA-N 0 0 343.383 2.672 10 5 EFBERN CCN(Cc1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593531511 479379081 /nfs/dbraw/zinc/37/90/81/479379081.db2.gz NIQBYNFOWROVMR-UHFFFAOYSA-N 0 0 335.385 2.509 10 5 EFBERN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593533157 479379258 /nfs/dbraw/zinc/37/92/58/479379258.db2.gz JTZCMHJSLDBSNQ-HNNXBMFYSA-N 0 0 347.396 2.824 10 5 EFBERN CCCN(CCc1ccccn1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587990668 479379686 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Cc1cc(C)cc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593544485 479383524 /nfs/dbraw/zinc/38/35/24/479383524.db2.gz UGMHUCDMPAJTNH-LBPRGKRZSA-N 0 0 335.385 2.646 10 5 EFBERN CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593548085 479383904 /nfs/dbraw/zinc/38/39/04/479383904.db2.gz LUAHYVOCOUOGMP-YPMHNXCESA-N 0 0 327.406 2.579 10 5 EFBERN CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588011383 479384064 /nfs/dbraw/zinc/38/40/64/479384064.db2.gz FAHNZNVLGFZOQO-BTDLBPIBSA-N 0 0 349.362 2.997 10 5 EFBERN CC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547305 479384365 /nfs/dbraw/zinc/38/43/65/479384365.db2.gz UTNIUHPGPFLJFP-HNNXBMFYSA-N 0 0 347.396 2.688 10 5 EFBERN C[C@H]1CC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2)C1 ZINC000588014753 479384884 /nfs/dbraw/zinc/38/48/84/479384884.db2.gz YIPGPPBASXMRBW-KPZWWZAWSA-N 0 0 344.415 2.802 10 5 EFBERN COc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])c1 ZINC000599675621 479385836 /nfs/dbraw/zinc/38/58/36/479385836.db2.gz SUHFHTOYYPXQIA-SJCJKPOMSA-N 0 0 333.388 2.806 10 5 EFBERN COc1cc(CCNC(=O)[C@@H]2CCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000596689173 479389209 /nfs/dbraw/zinc/38/92/09/479389209.db2.gz PJAUQQUHZJNCPP-LBPRGKRZSA-N 0 0 336.388 2.707 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000588068521 479389767 /nfs/dbraw/zinc/38/97/67/479389767.db2.gz RSBZNSVKZJLOIK-HZGVNTEJSA-N 0 0 325.674 2.799 10 5 EFBERN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000599684914 479390404 /nfs/dbraw/zinc/39/04/04/479390404.db2.gz JKCFEUFSAKYGFD-WCQYABFASA-N 0 0 338.751 2.559 10 5 EFBERN COCCC1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000596694582 479390996 /nfs/dbraw/zinc/39/09/96/479390996.db2.gz MNVQYIYCZTZMAV-UHFFFAOYSA-N 0 0 345.302 2.696 10 5 EFBERN CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000593583055 479393658 /nfs/dbraw/zinc/39/36/58/479393658.db2.gz REXNZXCFRBCRRH-UKRRQHHQSA-N 0 0 338.379 2.532 10 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EFBERN C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1F ZINC000611506900 479399693 /nfs/dbraw/zinc/39/96/93/479399693.db2.gz SYDVTJCEBCRUGD-SMDDNHRTSA-N 0 0 332.335 2.601 10 5 EFBERN CC(C)C[C@@]1(C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593604026 479400284 /nfs/dbraw/zinc/40/02/84/479400284.db2.gz YRPQMUFNYZZEAU-CQSZACIVSA-N 0 0 327.406 2.579 10 5 EFBERN COC(=O)C1C[C@@H](C)[NH+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000599709171 479400954 /nfs/dbraw/zinc/40/09/54/479400954.db2.gz PVQITKTUIPFJMN-CHWSQXEVSA-N 0 0 336.388 2.636 10 5 EFBERN Cc1cncn1C1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593615186 479402941 /nfs/dbraw/zinc/40/29/41/479402941.db2.gz NEMSQBVSOFGLQK-UHFFFAOYSA-N 0 0 346.362 2.645 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC2(F)F)cc1OC ZINC000588180623 479403082 /nfs/dbraw/zinc/40/30/82/479403082.db2.gz GEXYJEJLXKIHSN-CYBMUJFWSA-N 0 0 344.314 2.920 10 5 EFBERN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](c2ccccc2)O1 ZINC000611525598 479406165 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CCc1cccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000593655764 479414780 /nfs/dbraw/zinc/41/47/80/479414780.db2.gz ALUFBTVSDXFEFN-UHFFFAOYSA-N 0 0 334.397 2.777 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@H]1C1CCCC1 ZINC000593656233 479414884 /nfs/dbraw/zinc/41/48/84/479414884.db2.gz DIHBISOGFFVQOB-STQMWFEESA-N 0 0 328.372 2.914 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599752441 479415052 /nfs/dbraw/zinc/41/50/52/479415052.db2.gz JDCSXBOBCILDER-SUMWQHHRSA-N 0 0 333.388 2.838 10 5 EFBERN CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000603631570 479416351 /nfs/dbraw/zinc/41/63/51/479416351.db2.gz ONMMXWCLXCIXKJ-AAEUAGOBSA-N 0 0 342.417 2.851 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)c1C ZINC000593665149 479416492 /nfs/dbraw/zinc/41/64/92/479416492.db2.gz CNCFXXCGWNDLHX-CYBMUJFWSA-N 0 0 346.355 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c1 ZINC000593666811 479416828 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EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CNc2ccccc2C1 ZINC000593914967 479507710 /nfs/dbraw/zinc/50/77/10/479507710.db2.gz RFOBOEFRRYBZKL-CYBMUJFWSA-N 0 0 341.367 2.760 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N[C@H]1c3ccccc3C[C@H]1O)CCCC2 ZINC000575983980 479515502 /nfs/dbraw/zinc/51/55/02/479515502.db2.gz IMWVCZNBPLGYTG-SJORKVTESA-N 0 0 325.368 2.939 10 5 EFBERN Cc1c(NC(=O)C(=O)NC[C@H]2CCCC23CC3)cccc1[N+](=O)[O-] ZINC000600101840 479516738 /nfs/dbraw/zinc/51/67/38/479516738.db2.gz YKFRCOHJVYGFLF-GFCCVEGCSA-N 0 0 331.372 2.538 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000611889262 479516705 /nfs/dbraw/zinc/51/67/05/479516705.db2.gz NARAPUKUHKBUDH-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC12CC2 ZINC000600101409 479516886 /nfs/dbraw/zinc/51/68/86/479516886.db2.gz VYRGERRVKDQKEQ-CYBMUJFWSA-N 0 0 345.399 2.792 10 5 EFBERN Cc1cc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000604448829 479519761 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COC(=O)c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3ccco3)C2)c1 ZINC000589503777 479536184 /nfs/dbraw/zinc/53/61/84/479536184.db2.gz VVIWXKAGQXGGNO-INIZCTEOSA-N 0 0 346.339 2.548 10 5 EFBERN CCc1cc(N[C@@H](C)C(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604539770 479537346 /nfs/dbraw/zinc/53/73/46/479537346.db2.gz HZZGHUHHOFAXQL-NSHDSACASA-N 0 0 330.388 2.607 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cnccc3C)CC2)n1 ZINC000576096039 479538280 /nfs/dbraw/zinc/53/82/80/479538280.db2.gz MMZYJEAUXGTQDJ-UHFFFAOYSA-N 0 0 327.388 2.637 10 5 EFBERN Nc1cc(NCCc2nc3ccccc3s2)cc(CO)c1[N+](=O)[O-] ZINC000589557538 479539851 /nfs/dbraw/zinc/53/98/51/479539851.db2.gz AFANFHIJWRHUGN-UHFFFAOYSA-N 0 0 344.396 2.934 10 5 EFBERN C[C@H]1C[C@@H]1c1cc(=NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH][nH]1 ZINC000604550673 479540313 /nfs/dbraw/zinc/54/03/13/479540313.db2.gz XJZHOBWNZCYWMF-WPRPVWTQSA-N 0 0 325.328 2.597 10 5 EFBERN O=C(c1cc(N2CC[C@H](C(F)F)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000589600073 479544130 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Cc1sc(C(=O)NC[C@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000600174616 479561449 /nfs/dbraw/zinc/56/14/49/479561449.db2.gz DHJQDOZQXMIGIW-MRXNPFEDSA-N 0 0 348.380 2.925 10 5 EFBERN Cc1cccc(C(=O)NC[C@@H]2Cc3ccccc3CO2)c1[N+](=O)[O-] ZINC000600176324 479564070 /nfs/dbraw/zinc/56/40/70/479564070.db2.gz HBYANMKLGDCLRY-HNNXBMFYSA-N 0 0 326.352 2.775 10 5 EFBERN Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3CO2)cc([N+](=O)[O-])c1 ZINC000600177131 479564529 /nfs/dbraw/zinc/56/45/29/479564529.db2.gz PJYRHCFHMZERRO-KRWDZBQOSA-N 0 0 326.352 2.775 10 5 EFBERN Cc1c(C(=O)NCc2c(C(F)(F)F)cnn2C)cccc1[N+](=O)[O-] ZINC000600178135 479564792 /nfs/dbraw/zinc/56/47/92/479564792.db2.gz RJYCOAYXYZRYMK-UHFFFAOYSA-N 0 0 342.277 2.586 10 5 EFBERN Cc1cc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600178936 479566023 /nfs/dbraw/zinc/56/60/23/479566023.db2.gz RWXHXXAIBJZASY-GFCCVEGCSA-N 0 0 342.277 2.633 10 5 EFBERN Nc1c(NC(=O)NCCCC2(O)CCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597089572 479566870 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EFBERN COCC1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1 ZINC000597092455 479569080 /nfs/dbraw/zinc/56/90/80/479569080.db2.gz LXPKMRASNFDZKL-UHFFFAOYSA-N 0 0 342.783 2.769 10 5 EFBERN CC[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H](C)O1 ZINC000597094975 479569836 /nfs/dbraw/zinc/56/98/36/479569836.db2.gz MRYFKWVRIHSJQE-PSASIEDQSA-N 0 0 342.783 2.862 10 5 EFBERN CCOCCN(CC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094336 479570171 /nfs/dbraw/zinc/57/01/71/479570171.db2.gz DQQFYZDRNUWTBQ-UHFFFAOYSA-N 0 0 330.772 2.721 10 5 EFBERN CC[C@@H](C)[C@@](C)(O)CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094982 479570383 /nfs/dbraw/zinc/57/03/83/479570383.db2.gz MVUQBJFGHDBNEY-CLAHSXSESA-N 0 0 344.799 2.749 10 5 EFBERN Nc1c(NC(=O)NCCCOCC2CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095038 479570558 /nfs/dbraw/zinc/57/05/58/479570558.db2.gz VIVDDWIVODNGMT-UHFFFAOYSA-N 0 0 342.783 2.769 10 5 EFBERN CCC(O)(CC)CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095381 479571034 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Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594155647 479612255 /nfs/dbraw/zinc/61/22/55/479612255.db2.gz GGWLGWYUOVSDOA-HNNXBMFYSA-N 0 0 336.388 2.999 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC(C(C)(C)C)C1 ZINC000590163008 479612973 /nfs/dbraw/zinc/61/29/73/479612973.db2.gz UFBCYAPHUYTEMG-UHFFFAOYSA-N 0 0 342.417 2.706 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594159828 479614411 /nfs/dbraw/zinc/61/44/11/479614411.db2.gz CBMDGPAKILVNHA-YPMHNXCESA-N 0 0 346.305 2.754 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594160225 479614443 /nfs/dbraw/zinc/61/44/43/479614443.db2.gz DIVOYOQNRFVZQA-STQMWFEESA-N 0 0 346.305 2.754 10 5 EFBERN CC(C)(C(=O)N1CC(Oc2ccncc2)C1)c1ccccc1[N+](=O)[O-] ZINC000590210583 479617578 /nfs/dbraw/zinc/61/75/78/479617578.db2.gz CHYBVRDGUJMXGB-UHFFFAOYSA-N 0 0 341.367 2.557 10 5 EFBERN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000594172708 479619431 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EFBERN CNc1nccc(C(=O)N[C@@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000590410446 479642401 /nfs/dbraw/zinc/64/24/01/479642401.db2.gz TXPSRWBOJJGJJG-VIFPVBQESA-N 0 0 334.763 2.598 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC(F)(c2ccccc2F)C1 ZINC000590438918 479647117 /nfs/dbraw/zinc/64/71/17/479647117.db2.gz NTIQNNBIZOIQNQ-UHFFFAOYSA-N 0 0 348.305 2.820 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(F)(c2ccccc2F)C1 ZINC000590444603 479648035 /nfs/dbraw/zinc/64/80/35/479648035.db2.gz PZNOBAZKYKGQFN-UHFFFAOYSA-N 0 0 332.306 2.984 10 5 EFBERN CC[C@@H](NC(=O)c1cc2ncccn2n1)c1cccc([N+](=O)[O-])c1 ZINC000590443274 479648366 /nfs/dbraw/zinc/64/83/66/479648366.db2.gz UDRNYHJLOPOTHS-CYBMUJFWSA-N 0 0 325.328 2.519 10 5 EFBERN CC[C@@H](NC(=O)[C@H]1CCc2cncn2C1)c1cccc([N+](=O)[O-])c1 ZINC000590443984 479648542 /nfs/dbraw/zinc/64/85/42/479648542.db2.gz WKMCIMDAABDBRB-XJKSGUPXSA-N 0 0 328.372 2.621 10 5 EFBERN O=[N+]([O-])c1ncccc1Oc1ncnc2c1ncn2-c1ccccc1 ZINC000590569182 479661262 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COC(=O)c1c(Cl)c(N2CCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000590583427 479662797 /nfs/dbraw/zinc/66/27/97/479662797.db2.gz XEARBZDWYGJWIF-NXEZZACHSA-N 0 0 342.779 2.775 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)[C@H](CO)SC)ccc1[N+](=O)[O-] ZINC000590585897 479663292 /nfs/dbraw/zinc/66/32/92/479663292.db2.gz SUDZLWBRJHXNJM-XVKPBYJWSA-N 0 0 348.808 2.559 10 5 EFBERN COC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000590585234 479663642 /nfs/dbraw/zinc/66/36/42/479663642.db2.gz NBQMQBZKVDCAOI-JTQLQIEISA-N 0 0 342.779 2.898 10 5 EFBERN Cc1ccc(CN(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)o1 ZINC000590589634 479663999 /nfs/dbraw/zinc/66/39/99/479663999.db2.gz LLKIERWJEGEMHW-UHFFFAOYSA-N 0 0 342.348 2.764 10 5 EFBERN Cc1c(NC(=O)CCN2CC[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000590600306 479666380 /nfs/dbraw/zinc/66/63/80/479666380.db2.gz NUEIBJWNTUFSPZ-GFCCVEGCSA-N 0 0 331.294 2.868 10 5 EFBERN CC(C)(CNc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1CCCCO1 ZINC000612447724 479674510 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CC(C)[C@H](O)C(C)(C)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362966097 535134281 /nfs/dbraw/zinc/13/42/81/535134281.db2.gz JOXLBVMAXPZZEM-HNNXBMFYSA-N 0 0 344.358 2.575 10 5 EFBERN CCC(CC)[C@H](O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359402580 535153316 /nfs/dbraw/zinc/15/33/16/535153316.db2.gz SHCHUOVDZJOJFX-GFCCVEGCSA-N 0 0 346.330 2.723 10 5 EFBERN CCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCCc2cccnc21 ZINC000358948495 535212316 /nfs/dbraw/zinc/21/23/16/535212316.db2.gz UFHWXVOHFFCWPQ-AWEZNQCLSA-N 0 0 343.387 2.503 10 5 EFBERN CCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000356041076 535213259 /nfs/dbraw/zinc/21/32/59/535213259.db2.gz PLHUGQIZTBGOCN-HNNXBMFYSA-N 0 0 343.387 2.503 10 5 EFBERN CCCOc1ccc(Br)cc1Cn1cnc([N+](=O)[O-])n1 ZINC000360534961 535254912 /nfs/dbraw/zinc/25/49/12/535254912.db2.gz MIJOKGCLGVBBBU-UHFFFAOYSA-N 0 0 341.165 2.786 10 5 EFBERN CCN([C@H](C)C(F)(F)F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000360361649 535404425 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EFBERN CC(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000755486013 575590774 /nfs/dbraw/zinc/59/07/74/575590774.db2.gz KBABFOOWZWPTJZ-AWEZNQCLSA-N 0 0 347.415 2.550 10 5 EFBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000755507535 575593653 /nfs/dbraw/zinc/59/36/53/575593653.db2.gz AMVXSXWFENNMPM-BENRWUELSA-N 0 0 339.351 2.684 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc3ccccc3o2)n1 ZINC000755563086 575602333 /nfs/dbraw/zinc/60/23/33/575602333.db2.gz MMCDJSCEAUILET-UHFFFAOYSA-N 0 0 343.295 2.597 10 5 EFBERN CCOc1cc(COC(=O)/C=C/c2ccncn2)ccc1[N+](=O)[O-] ZINC000755567808 575602708 /nfs/dbraw/zinc/60/27/08/575602708.db2.gz MOZGFEVNVZTLQQ-GQCTYLIASA-N 0 0 329.312 2.540 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000755571223 575603240 /nfs/dbraw/zinc/60/32/40/575603240.db2.gz BCVFLZABTRMXQH-UHFFFAOYSA-N 0 0 349.318 2.607 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@H](C)OCc2ccccc2)n1 ZINC000755590188 575604290 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CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764280197 576445850 /nfs/dbraw/zinc/44/58/50/576445850.db2.gz RWCLTUBMRDVMDU-LBPRGKRZSA-N 0 0 340.763 2.710 10 5 EFBERN CO[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000764598866 576477324 /nfs/dbraw/zinc/47/73/24/576477324.db2.gz KSPLXEVXCGKQMO-HNNXBMFYSA-N 0 0 335.287 2.870 10 5 EFBERN CO[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000764602279 576478081 /nfs/dbraw/zinc/47/80/81/576478081.db2.gz USFYYISMSRUPSY-MRXNPFEDSA-N 0 0 347.323 2.610 10 5 EFBERN CCOC(=O)CCOC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000764605981 576478610 /nfs/dbraw/zinc/47/86/10/576478610.db2.gz NKEBLYPXLFMPOA-UHFFFAOYSA-N 0 0 327.358 2.817 10 5 EFBERN O=C(NC1CCC2(CC2)CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000765006526 576535538 /nfs/dbraw/zinc/53/55/38/576535538.db2.gz MQWRHYLVHAETNQ-MRXNPFEDSA-N 0 0 343.383 2.927 10 5 EFBERN CC[S@](=O)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000765029937 576538693 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/nfs/dbraw/zinc/49/13/13/581491313.db2.gz MZDAZEGHIDCJSY-ZYHUDNBSSA-N 0 0 331.271 2.573 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)O[C@H](C(F)F)[C@H]1CCCO1 ZINC000774440627 581491611 /nfs/dbraw/zinc/49/16/11/581491611.db2.gz YWSBMXKFJXIJGK-HPFKKHKDSA-N 0 0 327.283 2.964 10 5 EFBERN COc1ccc(C(=O)O[C@@H](C(F)F)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000774446447 581491717 /nfs/dbraw/zinc/49/17/17/581491717.db2.gz WAFWCHZRVIWRRH-VXGBXAGGSA-N 0 0 331.271 2.573 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(F)F)[C@H]2CCCO2)c1 ZINC000774462472 581492163 /nfs/dbraw/zinc/49/21/63/581492163.db2.gz ILLAIDIOUIRSBP-VXGBXAGGSA-N 0 0 331.271 2.573 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2COc3cc(Cl)ccc32)n1 ZINC000774515384 581493010 /nfs/dbraw/zinc/49/30/10/581493010.db2.gz VVXDVLPAMJLMPH-GFCCVEGCSA-N 0 0 337.719 2.755 10 5 EFBERN Cc1cccc(C(=O)OC[C@H]2CCCN2CC(F)F)c1[N+](=O)[O-] ZINC000774645231 581496297 /nfs/dbraw/zinc/49/62/97/581496297.db2.gz JSFBVEMGQBNBIO-LLVKDONJSA-N 0 0 328.315 2.790 10 5 EFBERN CN(Cc1cnn(-c2ccccc2)n1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000774656816 581496709 /nfs/dbraw/zinc/49/67/09/581496709.db2.gz FFQZLJNTZNECPK-UHFFFAOYSA-N 0 0 349.354 2.688 10 5 EFBERN O=C(CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(F)c(F)c1 ZINC000774660473 581496853 /nfs/dbraw/zinc/49/68/53/581496853.db2.gz PKTUHELMVQPQKK-UHFFFAOYSA-N 0 0 347.281 2.800 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CCN(CC(F)F)C1 ZINC000774705557 581498588 /nfs/dbraw/zinc/49/85/88/581498588.db2.gz IYBXFXFDFHKLFK-MSKHEQNASA-N 0 0 340.326 2.881 10 5 EFBERN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000774849978 581502377 /nfs/dbraw/zinc/50/23/77/581502377.db2.gz FSMADLDKOOQRIG-LLVKDONJSA-N 0 0 345.311 2.759 10 5 EFBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000774860672 581502564 /nfs/dbraw/zinc/50/25/64/581502564.db2.gz DVNAKSBMKJMAQG-NSHDSACASA-N 0 0 329.312 2.923 10 5 EFBERN C/C(=C/C(=O)O[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000774939962 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ZINC001691207264 1248529071 /nfs/dbraw/zinc/52/90/71/1248529071.db2.gz JSVPNLVBMMBXFM-UHFFFAOYSA-N 0 0 349.412 2.952 10 5 EFBERN COC(=O)C1(C(=O)OCc2ccccc2[N+](=O)[O-])CC2(CCC2)C1 ZINC000850277095 1250391098 /nfs/dbraw/zinc/39/10/98/1250391098.db2.gz XGQFJNHUGPWPOX-UHFFFAOYSA-N 0 0 333.340 2.762 10 5 EFBERN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000850279740 1250393939 /nfs/dbraw/zinc/39/39/39/1250393939.db2.gz JYUWUHUCSFQUDZ-GHMZBOCLSA-N 0 0 335.282 2.703 10 5 EFBERN NC(=O)c1ccc(COC(=O)C2CCC(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000850308721 1250416724 /nfs/dbraw/zinc/41/67/24/1250416724.db2.gz FWTNPXLWHRSMER-UHFFFAOYSA-N 0 0 346.383 2.953 10 5 EFBERN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1CCC(C2CC2)CC1 ZINC000850310335 1250419771 /nfs/dbraw/zinc/41/97/71/1250419771.db2.gz TUPQTXLORBFLOA-UHFFFAOYSA-N 0 0 334.372 2.516 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850378421 1250455090 /nfs/dbraw/zinc/45/50/90/1250455090.db2.gz CKOOMGQVJYEXNW-CABCVRRESA-N 0 0 342.342 2.897 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000850388129 1250459899 /nfs/dbraw/zinc/45/98/99/1250459899.db2.gz IGBTXWAYFYLZTA-OLZOCXBDSA-N 0 0 341.205 2.750 10 5 EFBERN O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)ccc1Br ZINC000850389222 1250461417 /nfs/dbraw/zinc/46/14/17/1250461417.db2.gz UDAYAHVQZJLAAU-QWHCGFSZSA-N 0 0 341.205 2.750 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000850583801 1250548357 /nfs/dbraw/zinc/54/83/57/1250548357.db2.gz HLHBMPHDXRUUNH-JTQLQIEISA-N 0 0 339.367 2.922 10 5 EFBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000850583804 1250548887 /nfs/dbraw/zinc/54/88/87/1250548887.db2.gz HLHBMPHDXRUUNH-SNVBAGLBSA-N 0 0 339.367 2.922 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000850783695 1250617877 /nfs/dbraw/zinc/61/78/77/1250617877.db2.gz MIWJUVCFHSPXEE-FZMZJTMJSA-N 0 0 343.330 2.859 10 5 EFBERN CN(C)c1ccc(COC(=O)[C@]23C[C@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000850943680 1250704444 /nfs/dbraw/zinc/70/44/44/1250704444.db2.gz SROGELLMEVYMAY-SJCJKPOMSA-N 0 0 334.372 2.519 10 5 EFBERN O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000851225942 1250869277 /nfs/dbraw/zinc/86/92/77/1250869277.db2.gz IZSQRMRXYSFHTM-CLLJXQQHSA-N 0 0 327.340 2.983 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1ccc2c(c1)CC(C)(C)O2 ZINC000851456144 1251010287 /nfs/dbraw/zinc/01/02/87/1251010287.db2.gz BRFNZIVSXHEIFS-UHFFFAOYSA-N 0 0 345.355 2.557 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000851457901 1251010361 /nfs/dbraw/zinc/01/03/61/1251010361.db2.gz BXTABGVQYJEBMB-UHFFFAOYSA-N 0 0 345.355 2.882 10 5 EFBERN CC[C@H](OC(=O)CSc1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC001127711983 1253423534 /nfs/dbraw/zinc/42/35/34/1253423534.db2.gz YIMKFFDTQUUKBL-LBPRGKRZSA-N 0 0 336.373 2.510 10 5 EFBERN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1csc([N+](=O)[O-])c1 ZINC000922361463 1265779216 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2.677 10 5 EFBERN Cc1cccc(C(=O)C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)c1 ZINC001127896024 1256996241 /nfs/dbraw/zinc/99/62/41/1256996241.db2.gz DXPHSTAOALJZEC-UHFFFAOYSA-N 0 0 342.351 2.895 10 5 EFBERN COc1cc(CNCc2nccc3c2CCCC3)c([N+](=O)[O-])cc1O ZINC000922467150 1266094542 /nfs/dbraw/zinc/09/45/42/1266094542.db2.gz QQXVLXXYKPUTEO-UHFFFAOYSA-N 0 0 343.383 2.873 10 5 EFBERN CN(C)c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(Cl)n1 ZINC000112782101 1257275734 /nfs/dbraw/zinc/27/57/34/1257275734.db2.gz HPIJJFMJMIOFOG-UHFFFAOYSA-N 0 0 346.774 2.912 10 5 EFBERN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001127947909 1257443890 /nfs/dbraw/zinc/44/38/90/1257443890.db2.gz QGGKWEHMCOMXNW-UHFFFAOYSA-N 0 0 343.265 2.611 10 5 EFBERN O=C(OCc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCC[C@@H]1O ZINC000922489258 1266130634 /nfs/dbraw/zinc/13/06/34/1266130634.db2.gz DWLKEYLFKMOOAM-PWSUYJOCSA-N 0 0 344.161 2.562 10 5 EFBERN C[C@H](C(=O)NCc1ccc2c(c1)ncn2C)c1cccc([N+](=O)[O-])c1 ZINC001626054954 1257893507 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O=C(OCc1cnccn1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000740679103 1269019891 /nfs/dbraw/zinc/01/98/91/1269019891.db2.gz KBAJQRGDPCJGCT-UHFFFAOYSA-N 0 0 338.117 2.504 10 5 EFBERN O=C(Nc1cc2ccccc2nc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC001128659286 1269175410 /nfs/dbraw/zinc/17/54/10/1269175410.db2.gz SISPULRLYAFKBT-LDYMZIIASA-N 0 0 336.145 2.601 10 5 EFBERN CC1(C)COCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001128689208 1269445833 /nfs/dbraw/zinc/44/58/33/1269445833.db2.gz FTFVYRIRTSOOMI-UHFFFAOYSA-N 0 0 341.367 2.908 10 5 EFBERN Cc1ccc(C(C)(C)CN(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001137012656 1278492546 /nfs/dbraw/zinc/49/25/46/1278492546.db2.gz HPRJRHAHMAGSDN-UHFFFAOYSA-N 0 0 342.399 2.930 10 5 EFBERN COc1ccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001128719384 1269689289 /nfs/dbraw/zinc/68/92/89/1269689289.db2.gz RGOLCCSLKIINTC-LSDHHAIUSA-N 0 0 327.340 2.593 10 5 EFBERN Cc1ncc(Cl)c(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000741913655 1269751387 /nfs/dbraw/zinc/75/13/87/1269751387.db2.gz VIHFKAGBGOFMJX-UHFFFAOYSA-N 0 0 325.683 2.843 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000742414665 1270039163 /nfs/dbraw/zinc/03/91/63/1270039163.db2.gz AWDVZONXBPYDCD-QMMMGPOBSA-N 0 0 330.348 2.524 10 5 EFBERN COc1ccc(OC(=O)Cn2ncc3ccccc32)cc1[N+](=O)[O-] ZINC000792120719 1278551869 /nfs/dbraw/zinc/55/18/69/1278551869.db2.gz TVXLWKRGPKRBIR-UHFFFAOYSA-N 0 0 327.296 2.559 10 5 EFBERN COc1ccc(OC(=O)c2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000792117716 1278553351 /nfs/dbraw/zinc/55/33/51/1278553351.db2.gz KAYQHMWKBAUTHX-UHFFFAOYSA-N 0 0 345.233 2.581 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(O)cccc2F)cc1[N+](=O)[O-] ZINC000743415439 1270579427 /nfs/dbraw/zinc/57/94/27/1270579427.db2.gz ATIGKGQNMLORRM-UHFFFAOYSA-N 0 0 335.247 2.908 10 5 EFBERN CCOc1ccc(C(=O)O[C@H](CC(C)C)C(=O)OC)cc1[N+](=O)[O-] ZINC000744156885 1270908640 /nfs/dbraw/zinc/90/86/40/1270908640.db2.gz NJAYHSFUTHSWRS-CQSZACIVSA-N 0 0 339.344 2.738 10 5 EFBERN COC(=O)[C@@H](CC(C)C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000744157597 1270910109 /nfs/dbraw/zinc/91/01/09/1270910109.db2.gz SFRQRVGSHKHHNP-CYBMUJFWSA-N 0 0 341.385 2.818 10 5 EFBERN O=C(Cn1cnc([N+](=O)[O-])n1)OCC1CCC(c2ccccc2)CC1 ZINC000744278519 1270964668 /nfs/dbraw/zinc/96/46/68/1270964668.db2.gz FBOVPJRUDPTHRT-UHFFFAOYSA-N 0 0 344.371 2.704 10 5 EFBERN COC[C@](C)(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000744378164 1271014797 /nfs/dbraw/zinc/01/47/97/1271014797.db2.gz IVJXCYHDOPJWIV-NSHDSACASA-N 0 0 340.685 2.945 10 5 EFBERN O=C(Cn1ccc(=O)c2ccccc21)OCc1csc([N+](=O)[O-])c1 ZINC000744520124 1271076339 /nfs/dbraw/zinc/07/63/39/1271076339.db2.gz RWEKKGXRALPUGW-UHFFFAOYSA-N 0 0 344.348 2.715 10 5 EFBERN NC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001128847144 1271170599 /nfs/dbraw/zinc/17/05/99/1271170599.db2.gz JOAAQKCMTSSISE-HZPDHXFCSA-N 0 0 340.335 2.541 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843840735 1278622311 /nfs/dbraw/zinc/62/23/11/1278622311.db2.gz RUNFXTGJMFJDTI-SECBINFHSA-N 0 0 326.324 2.504 10 5 EFBERN Cc1ccc(C(=O)Nc2c([N+](=O)[O-])ncn2C)c(Br)c1 ZINC001128881183 1271366796 /nfs/dbraw/zinc/36/67/96/1271366796.db2.gz MDNKWRGHQXCVIQ-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN Cc1nc2c(F)cccc2cc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001128881891 1271370041 /nfs/dbraw/zinc/37/00/41/1271370041.db2.gz RBPLXMMBYSHEGX-UHFFFAOYSA-N 0 0 329.291 2.576 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC001128882739 1271373078 /nfs/dbraw/zinc/37/30/78/1271373078.db2.gz WXPYAMSYWZPRMG-UHFFFAOYSA-N 0 0 343.318 2.725 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cnc(-c2ccccc2F)s1 ZINC001128883233 1271376010 /nfs/dbraw/zinc/37/60/10/1271376010.db2.gz ZEQYWRDEAYTNMW-UHFFFAOYSA-N 0 0 347.331 2.843 10 5 EFBERN CC(C)(C)[C@H]1CSCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001128886954 1271416220 /nfs/dbraw/zinc/41/62/20/1271416220.db2.gz FWUIFTHSVOOXQZ-CQSZACIVSA-N 0 0 338.429 2.964 10 5 EFBERN COCCc1ccnc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001128916610 1271563832 /nfs/dbraw/zinc/56/38/32/1271563832.db2.gz SDVKIZNXWFPGNJ-UHFFFAOYSA-N 0 0 333.319 2.879 10 5 EFBERN COc1cnc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])s1 ZINC001128946228 1271894039 /nfs/dbraw/zinc/89/40/39/1271894039.db2.gz VQKMFPOMYOOFLX-UHFFFAOYSA-N 0 0 325.321 2.770 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1CCOC[C@H]1c1ccc(F)cc1 ZINC001128974925 1272309851 /nfs/dbraw/zinc/30/98/51/1272309851.db2.gz BHWBLHKCPYJSTB-INIZCTEOSA-N 0 0 330.315 2.948 10 5 EFBERN Nc1c(C(=O)NCC2([C@@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC001168798809 1272407093 /nfs/dbraw/zinc/40/70/93/1272407093.db2.gz IKGLWGLRMHYGCH-AWEZNQCLSA-N 0 0 333.388 2.646 10 5 EFBERN Cn1ncc(Br)c1CN1CCc2c1cccc2[N+](=O)[O-] ZINC001168894752 1272466409 /nfs/dbraw/zinc/46/64/09/1272466409.db2.gz WRNZMRANPWFOOW-UHFFFAOYSA-N 0 0 337.177 2.654 10 5 EFBERN O=C(NC1(c2cccc(F)c2)CCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843984407 1278707829 /nfs/dbraw/zinc/70/78/29/1278707829.db2.gz TZVQECPITATZDK-MRXNPFEDSA-N 0 0 344.342 2.963 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)/C=C\c1nc2ccccc2s1 ZINC001128984509 1272497501 /nfs/dbraw/zinc/49/75/01/1272497501.db2.gz JGSROZFRDDBQQG-SREVYHEPSA-N 0 0 329.341 2.590 10 5 EFBERN Cc1cc(Br)c(C(=O)Nc2c([N+](=O)[O-])ncn2C)s1 ZINC001128984761 1272519301 /nfs/dbraw/zinc/51/93/01/1272519301.db2.gz HBMSVAFFGGONSR-UHFFFAOYSA-N 0 0 345.178 2.713 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001128985601 1272547054 /nfs/dbraw/zinc/54/70/54/1272547054.db2.gz YHPGQJHPJPPRIR-VIFPVBQESA-N 0 0 346.240 2.996 10 5 EFBERN Cn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1=O ZINC001128995846 1272735751 /nfs/dbraw/zinc/73/57/51/1272735751.db2.gz RRJOJLYTBCNQMI-UHFFFAOYSA-N 0 0 341.245 2.565 10 5 EFBERN CC(C)(C)OC(=O)C1(C)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000844044885 1278730775 /nfs/dbraw/zinc/73/07/75/1278730775.db2.gz NBNMVAIXUPYNEE-UHFFFAOYSA-N 0 0 342.436 2.792 10 5 EFBERN COC[C@H](C)OC(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000866988743 1272796250 /nfs/dbraw/zinc/79/62/50/1272796250.db2.gz XPLLNAVZULWKNO-ZETCQYMHSA-N 0 0 334.122 2.908 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC001128999561 1272806990 /nfs/dbraw/zinc/80/69/90/1272806990.db2.gz JZWZWOGLKBIABC-WMLDXEAASA-N 0 0 341.367 2.948 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC001128999559 1272807632 /nfs/dbraw/zinc/80/76/32/1272807632.db2.gz JZWZWOGLKBIABC-RHSMWYFYSA-N 0 0 341.367 2.948 10 5 EFBERN O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1[N+](=O)[O-] ZINC001128999098 1272829998 /nfs/dbraw/zinc/82/99/98/1272829998.db2.gz HCSGFVLNJTYWAM-BBRMVZONSA-N 0 0 327.340 2.640 10 5 EFBERN Nc1c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC001169339040 1272851170 /nfs/dbraw/zinc/85/11/70/1272851170.db2.gz IPDPFVJMLRROPA-LBPRGKRZSA-N 0 0 327.340 2.512 10 5 EFBERN Nc1ccc(NCc2ccc(CN3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000804332174 1273024842 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EFBERN Cc1ccc(NCCCn2cncn2)c([N+](=O)[O-])c1Br ZINC000804348005 1273379898 /nfs/dbraw/zinc/37/98/98/1273379898.db2.gz URRONYWFKPYEIG-UHFFFAOYSA-N 0 0 340.181 2.759 10 5 EFBERN CC1=NO[C@](C)(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129042799 1273427182 /nfs/dbraw/zinc/42/71/82/1273427182.db2.gz OHZWKSVEFZBHCQ-PBHICJAKSA-N 0 0 331.372 2.856 10 5 EFBERN COc1ccccc1[C@H](O)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000804349470 1273428479 /nfs/dbraw/zinc/42/84/79/1273428479.db2.gz HRFSIIZFQCDAGE-LLVKDONJSA-N 0 0 346.368 2.754 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CC(N)=O)c1ccccc1 ZINC001129365297 1273497572 /nfs/dbraw/zinc/49/75/72/1273497572.db2.gz BWZWZJJURTUHDY-AWEZNQCLSA-N 0 0 341.367 2.558 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C(F)(F)C1CCOCC1 ZINC000792529513 1278819016 /nfs/dbraw/zinc/81/90/16/1278819016.db2.gz BZDZETZOPHYGKV-SNVBAGLBSA-N 0 0 340.326 2.934 10 5 EFBERN O=C(N1CCc2cc([N+](=O)[O-])ccc21)C(F)(F)C1CCOCC1 ZINC000792526041 1278815821 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Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N=S(C)(C)=O)cc1 ZINC001129391374 1274235839 /nfs/dbraw/zinc/23/58/39/1274235839.db2.gz UCCFWRMVUPRUAC-UHFFFAOYSA-N 0 0 336.373 2.545 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129215548 1274858729 /nfs/dbraw/zinc/85/87/29/1274858729.db2.gz WRMDMUABEJFBGL-UHFFFAOYSA-N 0 0 337.288 2.907 10 5 EFBERN Cn1c(=O)ccc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc21 ZINC000785675373 1275142693 /nfs/dbraw/zinc/14/26/93/1275142693.db2.gz GADXPJJVGSJQED-UHFFFAOYSA-N 0 0 341.298 2.838 10 5 EFBERN O=C(OCCC1(O)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000785672372 1275154463 /nfs/dbraw/zinc/15/44/63/1275154463.db2.gz PHLLMCIQUQAZDG-UHFFFAOYSA-N 0 0 334.353 2.790 10 5 EFBERN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1nc2ccccc2o1 ZINC000746559771 1275169264 /nfs/dbraw/zinc/16/92/64/1275169264.db2.gz AMPRTIVVYGEHNR-SNVBAGLBSA-N 0 0 328.328 2.608 10 5 EFBERN COc1cccc(C[C@@H](O)C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000785705079 1275170328 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CC(C)(C)OC(=O)NCC1(CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000845672889 1279781494 /nfs/dbraw/zinc/78/14/94/1279781494.db2.gz CVFFIWQVTWWMRK-UHFFFAOYSA-N 0 0 336.392 2.519 10 5 EFBERN Cn1nccc1[C@H]1COCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000845760897 1279821944 /nfs/dbraw/zinc/82/19/44/1279821944.db2.gz QVVKNXRGVBRLOA-CYBMUJFWSA-N 0 0 345.384 2.516 10 5 EFBERN COC(=O)Cc1ccc(N2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000845768758 1279826770 /nfs/dbraw/zinc/82/67/70/1279826770.db2.gz FNUGDXBFWQYUPV-CQSZACIVSA-N 0 0 326.299 2.546 10 5 EFBERN CC(C)(O)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000871965928 1287377736 /nfs/dbraw/zinc/37/77/36/1287377736.db2.gz MKVCPQBGCVWBQT-SECBINFHSA-N 0 0 328.415 2.819 10 5 EFBERN C[C@@H]([C@H](OC(=O)CCOCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881135 1279904358 /nfs/dbraw/zinc/90/43/58/1279904358.db2.gz YDWJDMXQXXIZMM-ZBEGNZNMSA-N 0 0 325.336 2.892 10 5 EFBERN C[C@@]1(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000845973692 1279949963 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EFBERN Nc1ccc(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1[N+](=O)[O-] ZINC000846366577 1280124501 /nfs/dbraw/zinc/12/45/01/1280124501.db2.gz KXODAZOCPOZKNA-UHFFFAOYSA-N 0 0 347.268 2.684 10 5 EFBERN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872026762 1287404410 /nfs/dbraw/zinc/40/44/10/1287404410.db2.gz HIXXEJARXOMXEM-BXUZGUMPSA-N 0 0 348.378 2.651 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000846402920 1280146341 /nfs/dbraw/zinc/14/63/41/1280146341.db2.gz DEBFZJGPTSPMLD-XIKOKIGWSA-N 0 0 346.358 2.689 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)NOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000794373111 1280157819 /nfs/dbraw/zinc/15/78/19/1280157819.db2.gz UADQACALJANEEK-LLVKDONJSA-N 0 0 337.376 2.982 10 5 EFBERN COc1ccc(C(=O)N[C@@H](C)[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846419027 1280159606 /nfs/dbraw/zinc/15/96/06/1280159606.db2.gz DCURNYGJMJTRSH-SGTLLEGYSA-N 0 0 344.367 2.629 10 5 EFBERN Cc1ccc(C(=O)N[C@H](C)[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846428190 1280164417 /nfs/dbraw/zinc/16/44/17/1280164417.db2.gz VWVWMTRJTZYIDG-ACJLOTCBSA-N 0 0 328.368 2.929 10 5 EFBERN C/C(=C/C(=O)NC(C)(C)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000794396062 1280170088 /nfs/dbraw/zinc/17/00/88/1280170088.db2.gz CIFHNQYIGPOKGK-SEYXRHQNSA-N 0 0 345.399 2.515 10 5 EFBERN CC(C)(NC(=O)c1ncoc1-c1ccon1)c1ccccc1[N+](=O)[O-] ZINC001129398568 1280176904 /nfs/dbraw/zinc/17/69/04/1280176904.db2.gz SCIFUYOGGKCVIY-UHFFFAOYSA-N 0 0 342.311 2.903 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C)COc2ccccc2)c1[N+](=O)[O-] ZINC000804374591 1280177514 /nfs/dbraw/zinc/17/75/14/1280177514.db2.gz BGYYRSDYAVOOKL-LBPRGKRZSA-N 0 0 345.355 2.964 10 5 EFBERN CN(C)Cc1csc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC001129506311 1280218760 /nfs/dbraw/zinc/21/87/60/1280218760.db2.gz LLNYACFTXIHDHE-YVMONPNESA-N 0 0 332.385 2.765 10 5 EFBERN CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)cc([N+](=O)[O-])c1 ZINC001129530446 1280233272 /nfs/dbraw/zinc/23/32/72/1280233272.db2.gz VSDNSBNWMZTGOE-PBHICJAKSA-N 0 0 334.372 2.936 10 5 EFBERN COCc1ccccc1OC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001129533363 1280236123 /nfs/dbraw/zinc/23/61/23/1280236123.db2.gz PIOMWLMYSXEBBH-UHFFFAOYSA-N 0 0 327.296 2.837 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@]2(CC2(F)F)C1 ZINC000846573289 1280271464 /nfs/dbraw/zinc/27/14/64/1280271464.db2.gz WOJFLUQIAHBDLA-AWEZNQCLSA-N 0 0 340.282 2.585 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@]3(CC3(F)F)C2)c(N)c([N+](=O)[O-])c1 ZINC000846575606 1280272274 /nfs/dbraw/zinc/27/22/74/1280272274.db2.gz HAWIJQMTASYITP-AWEZNQCLSA-N 0 0 325.315 2.747 10 5 EFBERN C[C@H](C[C@@H](O)c1ccco1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000804549424 1280272452 /nfs/dbraw/zinc/27/24/52/1280272452.db2.gz DEZNMODIXSYROE-NOZJJQNGSA-N 0 0 344.327 2.761 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846577202 1280274213 /nfs/dbraw/zinc/27/42/13/1280274213.db2.gz IKHSLHKMXCCAHF-CQSZACIVSA-N 0 0 325.315 2.655 10 5 EFBERN CCOc1cccc(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n1 ZINC000804552979 1280274412 /nfs/dbraw/zinc/27/44/12/1280274412.db2.gz XEMZGQIOPBGXNC-UHFFFAOYSA-N 0 0 332.316 2.951 10 5 EFBERN Cc1n[nH]c(CCNc2ccc(C)c(Br)c2[N+](=O)[O-])n1 ZINC000804537323 1280277290 /nfs/dbraw/zinc/27/72/90/1280277290.db2.gz QSYPQHDUGJZWGL-UHFFFAOYSA-N 0 0 340.181 2.747 10 5 EFBERN O=C(Nc1ccn2ccnc2c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001129594847 1280281091 /nfs/dbraw/zinc/28/10/91/1280281091.db2.gz XHFBAWWBPZLOAX-UHFFFAOYSA-N 0 0 332.266 2.973 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])c2)CN1 ZINC000804563506 1280285951 /nfs/dbraw/zinc/28/59/51/1280285951.db2.gz QCOJMXXKQYRUHH-NSHDSACASA-N 0 0 342.311 2.850 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846582892 1280302071 /nfs/dbraw/zinc/30/20/71/1280302071.db2.gz FFCSPTXZUGBBRC-CQSZACIVSA-N 0 0 328.290 2.924 10 5 EFBERN Cc1nc2c(s1)[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)CCC2 ZINC000804603407 1280308646 /nfs/dbraw/zinc/30/86/46/1280308646.db2.gz PHMPWYOUJDBTAL-ZDUSSCGKSA-N 0 0 334.401 2.924 10 5 EFBERN C[C@@H](NCC(=O)NCCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054858 1287413280 /nfs/dbraw/zinc/41/32/80/1287413280.db2.gz CNEQLMJBYRRQKE-CYBMUJFWSA-N 0 0 345.374 2.743 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(F)(F)F)CC1 ZINC000804605362 1280310006 /nfs/dbraw/zinc/31/00/06/1280310006.db2.gz IYGYEUMYSKSHIE-UHFFFAOYSA-N 0 0 331.294 2.733 10 5 EFBERN CN(C[C@H]1CC=CCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804611635 1280313855 /nfs/dbraw/zinc/31/38/55/1280313855.db2.gz ZCSARQICZDCWHI-LBPRGKRZSA-N 0 0 330.388 2.578 10 5 EFBERN Cc1ccc(NCCCn2ccnn2)c([N+](=O)[O-])c1Br ZINC000804611737 1280313950 /nfs/dbraw/zinc/31/39/50/1280313950.db2.gz BPBWKMOWRHXPRQ-UHFFFAOYSA-N 0 0 340.181 2.759 10 5 EFBERN Cc1ccc(N[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])c1Br ZINC000804612410 1280314182 /nfs/dbraw/zinc/31/41/82/1280314182.db2.gz QUJYYEZXKPGZRU-ASCAZGACSA-N 0 0 335.223 2.845 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)Oc1ccc(Cl)c(F)c1F ZINC001129710265 1280317637 /nfs/dbraw/zinc/31/76/37/1280317637.db2.gz IGINWHILGWWHCV-UHFFFAOYSA-N 0 0 331.662 2.719 10 5 EFBERN CCC1(CC)CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[S@]1=O ZINC000804620461 1280319932 /nfs/dbraw/zinc/31/99/32/1280319932.db2.gz WLOJGPGTXQTUNX-HSZRJFAPSA-N 0 0 341.389 2.631 10 5 EFBERN C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC000846623188 1280329589 /nfs/dbraw/zinc/32/95/89/1280329589.db2.gz YYBVJSKQCJWMTE-WFIGLCBISA-N 0 0 332.400 2.959 10 5 EFBERN Cc1ccc(N[C@@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])c1Br ZINC000804645648 1280335174 /nfs/dbraw/zinc/33/51/74/1280335174.db2.gz VBFHJRRHBKXUIY-SECBINFHSA-N 0 0 342.193 2.698 10 5 EFBERN Cc1ccc(N[C@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])c1Br ZINC000804645649 1280335373 /nfs/dbraw/zinc/33/53/73/1280335373.db2.gz VBFHJRRHBKXUIY-VIFPVBQESA-N 0 0 342.193 2.698 10 5 EFBERN Nc1ccc(NC[C@@H](CO)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000804648326 1280337347 /nfs/dbraw/zinc/33/73/47/1280337347.db2.gz BFEWEWQMKMULNO-NSHDSACASA-N 0 0 337.326 2.718 10 5 EFBERN Cc1ccc(N(C)CC2(CO)CC2)c([N+](=O)[O-])c1Br ZINC000804636800 1280339428 /nfs/dbraw/zinc/33/94/28/1280339428.db2.gz DOVLXNLPDJGALT-UHFFFAOYSA-N 0 0 329.194 2.874 10 5 EFBERN C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001129773276 1280344777 /nfs/dbraw/zinc/34/47/77/1280344777.db2.gz JUPUAYKXEKTMLK-DGCLKSJQSA-N 0 0 343.383 2.563 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2COCc3ccccc32)c1[N+](=O)[O-] ZINC001129854947 1280354236 /nfs/dbraw/zinc/35/42/36/1280354236.db2.gz YDWHIVLSHBLWRZ-CQSZACIVSA-N 0 0 328.324 2.605 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](O)c2ccccc2OC)c1 ZINC000747209984 1280355274 /nfs/dbraw/zinc/35/52/74/1280355274.db2.gz PXFPKGJEXMQORT-AWEZNQCLSA-N 0 0 336.319 2.897 10 5 EFBERN CCOC(=O)N1CC[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872064359 1287417590 /nfs/dbraw/zinc/41/75/90/1287417590.db2.gz YCYADNODMIPSMZ-WDEREUQCSA-N 0 0 325.340 2.615 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nccc(C(F)(F)F)n1 ZINC001129897057 1280371595 /nfs/dbraw/zinc/37/15/95/1280371595.db2.gz KXUMYECBMSNXQO-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CCOc2c(F)c(F)ccc21 ZINC001129944724 1280381636 /nfs/dbraw/zinc/38/16/36/1280381636.db2.gz FVXQDFGNBHGBDU-UHFFFAOYSA-N 0 0 326.280 2.974 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCC2(O)Cc3ccccc3C2)c1 ZINC000747222589 1280397697 /nfs/dbraw/zinc/39/76/97/1280397697.db2.gz FRFSVSBKGMLVCC-UHFFFAOYSA-N 0 0 332.331 2.684 10 5 EFBERN C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070646 1287419468 /nfs/dbraw/zinc/41/94/68/1287419468.db2.gz VTSVRWBOJWAOBX-MJVIPROJSA-N 0 0 328.384 2.543 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(=O)CC23CCC3)cc1[N+](=O)[O-] ZINC001130016043 1280404439 /nfs/dbraw/zinc/40/44/39/1280404439.db2.gz QYXJQBBZFFRISP-UHFFFAOYSA-N 0 0 347.327 2.539 10 5 EFBERN O=C(NCC[C@@H]1COc2ccccc2O1)c1c(F)cccc1[N+](=O)[O-] ZINC001130007408 1280410771 /nfs/dbraw/zinc/41/07/71/1280410771.db2.gz JVEKQBLJXJCGCJ-LLVKDONJSA-N 0 0 346.314 2.694 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(F)(F)C(F)(F)F ZINC001144910891 1280417477 /nfs/dbraw/zinc/41/74/77/1280417477.db2.gz IPTIGLTVHWSFSO-UHFFFAOYSA-N 0 0 341.236 2.906 10 5 EFBERN CCC[C@H](C)C(=O)NCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073519 1287420592 /nfs/dbraw/zinc/42/05/92/1287420592.db2.gz QHSQALIFBWHXRS-RYUDHWBXSA-N 0 0 325.384 2.937 10 5 EFBERN CSCC[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N(C)C ZINC000872072687 1287420637 /nfs/dbraw/zinc/42/06/37/1287420637.db2.gz IXQSDXXXKLJVKB-JQWIXIFHSA-N 0 0 343.424 2.594 10 5 EFBERN CCOC(=O)c1cc(C(=O)Nc2cnccc2CC)cc([N+](=O)[O-])c1 ZINC001144918944 1280449637 /nfs/dbraw/zinc/44/96/37/1280449637.db2.gz LZGXPSXKVSAPCO-UHFFFAOYSA-N 0 0 343.339 2.981 10 5 EFBERN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001130115398 1280465021 /nfs/dbraw/zinc/46/50/21/1280465021.db2.gz IAADGUWMZHCKBM-UHFFFAOYSA-N 0 0 349.368 2.795 10 5 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CC(C)OCCONC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000812806459 1285452320 /nfs/dbraw/zinc/45/23/20/1285452320.db2.gz DCLWKRYHRHLPTD-UHFFFAOYSA-N 0 0 340.379 2.768 10 5 EFBERN CC(=O)OC(C)(C)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000812810035 1285455650 /nfs/dbraw/zinc/45/56/50/1285455650.db2.gz FHIKVOKAUMPXNB-UHFFFAOYSA-N 0 0 344.327 2.848 10 5 EFBERN Cc1ccc([C@@H](C)C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC001171450829 1285504427 /nfs/dbraw/zinc/50/44/27/1285504427.db2.gz JFLKYZODOZQEKM-PXAZEXFGSA-N 0 0 332.356 2.624 10 5 EFBERN O=C(NCc1cscc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001133602586 1285647461 /nfs/dbraw/zinc/64/74/61/1285647461.db2.gz FKYYHYNHDWEPBN-UHFFFAOYSA-N 0 0 340.744 2.968 10 5 EFBERN C[C@@H](COC(=O)COc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-] ZINC000813101637 1285651608 /nfs/dbraw/zinc/65/16/08/1285651608.db2.gz FZODWTPPCDCHSR-AWEZNQCLSA-N 0 0 345.351 2.853 10 5 EFBERN Cc1cc(CCC(=O)OC[C@@H](C)[N+](=O)[O-])ccc1Br ZINC000813101811 1285652126 /nfs/dbraw/zinc/65/21/26/1285652126.db2.gz JGFZHYXYDYPMHN-SNVBAGLBSA-N 0 0 330.178 2.899 10 5 EFBERN CCCCc1ccc(N2C[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102540 1285654729 /nfs/dbraw/zinc/65/47/29/1285654729.db2.gz RMEXHONTSJOGRE-HIFRSBDPSA-N 0 0 348.399 2.591 10 5 EFBERN CCCCc1ccc(N2C[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102542 1285654757 /nfs/dbraw/zinc/65/47/57/1285654757.db2.gz RMEXHONTSJOGRE-ZFWWWQNUSA-N 0 0 348.399 2.591 10 5 EFBERN C[C@H](COC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)[N+](=O)[O-] ZINC000813103299 1285655155 /nfs/dbraw/zinc/65/51/55/1285655155.db2.gz BSAPOJOIHVFRKX-SECBINFHSA-N 0 0 343.261 2.713 10 5 EFBERN COC[C@H](C)[C@H](C)C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000813077335 1285658267 /nfs/dbraw/zinc/65/82/67/1285658267.db2.gz VHTPBYHLNRYVLF-XDQVBPFNSA-N 0 0 339.392 2.737 10 5 EFBERN O=C(CCc1ncccn1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000813085225 1285664453 /nfs/dbraw/zinc/66/44/53/1285664453.db2.gz YSWODRGGMAESPV-UHFFFAOYSA-N 0 0 333.369 2.653 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1noc2ccccc21 ZINC001133620096 1285673758 /nfs/dbraw/zinc/67/37/58/1285673758.db2.gz APKDZRRQASPYDT-UHFFFAOYSA-N 0 0 329.287 2.734 10 5 EFBERN C[C@@H](COC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)[N+](=O)[O-] ZINC000813106737 1285676900 /nfs/dbraw/zinc/67/69/00/1285676900.db2.gz HFCZGSLBIHIBTF-VIFPVBQESA-N 0 0 343.261 2.713 10 5 EFBERN COc1cc(C)c(Br)cc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813106263 1285678662 /nfs/dbraw/zinc/67/86/62/1285678662.db2.gz BQKFXAFIPOMRSG-QMMMGPOBSA-N 0 0 332.150 2.588 10 5 EFBERN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])CC1=O ZINC000813108983 1285680153 /nfs/dbraw/zinc/68/01/53/1285680153.db2.gz CXXQXFJCORCCQA-MELADBBJSA-N 0 0 348.399 2.761 10 5 EFBERN C[C@@H](COC(=O)c1csc(COc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813110273 1285682771 /nfs/dbraw/zinc/68/27/71/1285682771.db2.gz WFEZTKLAAZAUQO-VIFPVBQESA-N 0 0 340.332 2.683 10 5 EFBERN CSC[C@H](C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172659 1285703075 /nfs/dbraw/zinc/70/30/75/1285703075.db2.gz PSODNGKNKKYBCD-WFASDCNBSA-N 0 0 338.429 2.711 10 5 EFBERN O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C1CC(F)(F)C1 ZINC000813172827 1285703240 /nfs/dbraw/zinc/70/32/40/1285703240.db2.gz OLSRMSCVXYAPGE-AWEZNQCLSA-N 0 0 340.326 2.758 10 5 EFBERN COCCCCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174145 1285703495 /nfs/dbraw/zinc/70/34/95/1285703495.db2.gz QPOYIVMGCFAHNR-INIZCTEOSA-N 0 0 336.388 2.529 10 5 EFBERN CC[C@@H](SC)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172414 1285703685 /nfs/dbraw/zinc/70/36/85/1285703685.db2.gz HGRYLUCHPTVJLR-LSDHHAIUSA-N 0 0 338.429 2.854 10 5 EFBERN CCOC(=O)C1(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000813150432 1285709501 /nfs/dbraw/zinc/70/95/01/1285709501.db2.gz TUQUICDUBIQNBR-UHFFFAOYSA-N 0 0 325.292 2.624 10 5 EFBERN Cc1cc(COCC(=O)Nc2cccc([N+](=O)[O-])c2Cl)on1 ZINC000813245568 1285760109 /nfs/dbraw/zinc/76/01/09/1285760109.db2.gz FQANVVGWDOSIBK-UHFFFAOYSA-N 0 0 325.708 2.700 10 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C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000814045266 1286275213 /nfs/dbraw/zinc/27/52/13/1286275213.db2.gz OCUYDMHWZZJISH-RKDXNWHRSA-N 0 0 348.168 2.975 10 5 EFBERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045263 1286275571 /nfs/dbraw/zinc/27/55/71/1286275571.db2.gz OCUYDMHWZZJISH-BDAKNGLRSA-N 0 0 348.168 2.975 10 5 EFBERN COc1cc(C(=O)O[C@H](C)C[N+](=O)[O-])ccc1OCCC(C)C ZINC000814046697 1286275698 /nfs/dbraw/zinc/27/56/98/1286275698.db2.gz NWALDKJHZSIVAU-GFCCVEGCSA-N 0 0 325.361 2.942 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000814048557 1286276243 /nfs/dbraw/zinc/27/62/43/1286276243.db2.gz URYYSYWNFCPJOV-VIFPVBQESA-N 0 0 343.261 2.713 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)C1(Cc2ccccc2Br)CC1 ZINC000814048690 1286276562 /nfs/dbraw/zinc/27/65/62/1286276562.db2.gz MSAANHYXRJMRLS-JTQLQIEISA-N 0 0 342.189 2.980 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)Cc1cc(Cl)ccc1Br ZINC000814050367 1286277502 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341.795 2.560 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(Cc3nnc[nH]3)cc2)cc1[N+](=O)[O-] ZINC001135880520 1288544265 /nfs/dbraw/zinc/54/42/65/1288544265.db2.gz DAHNUTDAJCOTBU-UHFFFAOYSA-N 0 0 337.339 2.864 10 5 EFBERN COc1cc(N2CCC3(CC2)OCCCO3)c(Cl)cc1[N+](=O)[O-] ZINC000853646959 1300210861 /nfs/dbraw/zinc/21/08/61/1300210861.db2.gz IAWMLHKDIJUABZ-UHFFFAOYSA-N 0 0 342.779 2.990 10 5 EFBERN Cc1nc(CCC(=O)Nc2cc([N+](=O)[O-])n[nH]2)oc1-c1ccccc1 ZINC001177805931 1288553939 /nfs/dbraw/zinc/55/39/39/1288553939.db2.gz ILALDGXWJMUANY-UHFFFAOYSA-N 0 0 341.327 2.853 10 5 EFBERN Nc1ncc(C(=O)NCC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC001135925626 1288626249 /nfs/dbraw/zinc/62/62/49/1288626249.db2.gz JSXUVRQHABMIKR-UHFFFAOYSA-N 0 0 340.383 2.814 10 5 EFBERN COC1([C@@H](C)NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000817508622 1288645945 /nfs/dbraw/zinc/64/59/45/1288645945.db2.gz USGCEBDRQHCIJD-XTZCOPOCSA-N 0 0 348.399 2.698 10 5 EFBERN Cc1cc(C(=O)NC[C@H]2CC23CCSCC3)c(N)c([N+](=O)[O-])c1 ZINC000817621636 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10 5 EFBERN C/C(=C/C(=O)OCc1cnn2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000822264650 1288921531 /nfs/dbraw/zinc/92/15/31/1288921531.db2.gz KXUYEIVJFVBJOB-XFXZXTDPSA-N 0 0 327.340 2.884 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2ncc[nH]2)C1 ZINC001136581252 1288953497 /nfs/dbraw/zinc/95/34/97/1288953497.db2.gz OXCBBRVZIBTZOH-JTQLQIEISA-N 0 0 334.763 2.991 10 5 EFBERN Cc1csc2nc(CC(=O)NCCc3cccc([N+](=O)[O-])c3)cn12 ZINC000867032399 1288971004 /nfs/dbraw/zinc/97/10/04/1288971004.db2.gz NLDYWAKAYWRRAD-UHFFFAOYSA-N 0 0 344.396 2.514 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(Br)cs2)c1=O ZINC001165855859 1312692487 /nfs/dbraw/zinc/69/24/87/1312692487.db2.gz BSCUVXVVGFUXQM-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@@H]1CCC2(CCCC2)O1 ZINC001165855815 1312692586 /nfs/dbraw/zinc/69/25/86/1312692586.db2.gz AAYPPFVCXVZASY-AWEZNQCLSA-N 0 0 345.355 2.903 10 5 EFBERN CO[C@]12CCC[C@@]1(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000823219058 1289247031 /nfs/dbraw/zinc/24/70/31/1289247031.db2.gz UZGMXQIUOBEBBJ-ZLIFDBKOSA-N 0 0 334.372 2.705 10 5 EFBERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000823252483 1289250625 /nfs/dbraw/zinc/25/06/25/1289250625.db2.gz COEAKKHNDAZGOG-DTORHVGOSA-N 0 0 341.751 2.664 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)c(N)c1[N+](=O)[O-] ZINC001179875421 1289301190 /nfs/dbraw/zinc/30/11/90/1289301190.db2.gz VEMGTTDYZFFNGX-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179875018 1289301375 /nfs/dbraw/zinc/30/13/75/1289301375.db2.gz KZHRJGXGPOSTPM-SECBINFHSA-N 0 0 331.376 2.578 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N(C)CC(F)(F)C(F)(F)F)c1[N+](=O)[O-] ZINC001136721993 1289302290 /nfs/dbraw/zinc/30/22/90/1289302290.db2.gz OVAWMXNSXJQVJM-UHFFFAOYSA-N 0 0 344.240 2.711 10 5 EFBERN CCc1nccn1[C@H](C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179878636 1289303422 /nfs/dbraw/zinc/30/34/22/1289303422.db2.gz CKZIRFHBEVXEQC-LLVKDONJSA-N 0 0 331.376 2.834 10 5 EFBERN Cc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c2nccn2c1 ZINC001179880078 1289304461 /nfs/dbraw/zinc/30/44/61/1289304461.db2.gz YZWBLEAXZIJCDY-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN CC(=O)c1ccc(N2CCO[C@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000872750279 1289359214 /nfs/dbraw/zinc/35/92/14/1289359214.db2.gz PYIAOCINXUCRFZ-ZDUSSCGKSA-N 0 0 332.278 2.955 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001136756246 1289398203 /nfs/dbraw/zinc/39/82/03/1289398203.db2.gz ZDYINGMLRNDAAF-UHFFFAOYSA-N 0 0 349.387 2.561 10 5 EFBERN CC(C)c1ccc(C(=O)N(C)C2CCS(=O)CC2)cc1[N+](=O)[O-] ZINC001136770832 1289422652 /nfs/dbraw/zinc/42/26/52/1289422652.db2.gz BQTXGTGORHCNHT-UHFFFAOYSA-N 0 0 338.429 2.701 10 5 EFBERN COc1ccc(Cl)cc1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136768092 1289429094 /nfs/dbraw/zinc/42/90/94/1289429094.db2.gz NZTHVRRKHSUAEU-UHFFFAOYSA-N 0 0 349.774 2.812 10 5 EFBERN Cc1cccnc1[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC001180184953 1289430906 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0 328.372 2.853 10 5 EFBERN Nc1ccc(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000823974348 1289503618 /nfs/dbraw/zinc/50/36/18/1289503618.db2.gz QHFAAKLLPAZQOQ-NHYWBVRUSA-N 0 0 336.392 2.630 10 5 EFBERN C[C@H](NC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000873026701 1289528466 /nfs/dbraw/zinc/52/84/66/1289528466.db2.gz NBZMPHVXRURMHU-DLKVLKDVSA-N 0 0 333.388 2.913 10 5 EFBERN CCOc1ccc([C@@H](C)NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000824187460 1289550454 /nfs/dbraw/zinc/55/04/54/1289550454.db2.gz HSKBGECGWQUIJT-SJKOYZFVSA-N 0 0 344.367 2.904 10 5 EFBERN O=C(Nc1ccnc(-n2cccn2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001180692864 1289610699 /nfs/dbraw/zinc/61/06/99/1289610699.db2.gz MPGVZDRDSKJGPG-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CN(C)c1ccccc1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001166040397 1312721928 /nfs/dbraw/zinc/72/19/28/1312721928.db2.gz SQXQBRBCRYIJEG-UHFFFAOYSA-N 0 0 340.339 2.526 10 5 EFBERN Cc1cc(C(=O)Cn2cnc3sc([N+](=O)[O-])cc3c2=O)c(C)s1 ZINC001166155324 1312738501 /nfs/dbraw/zinc/73/85/01/1312738501.db2.gz MKFYTOVXNWPEPG-UHFFFAOYSA-N 0 0 349.393 2.927 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)[C@H]2Cc3ccccc32)c1 ZINC000795527518 1289855944 /nfs/dbraw/zinc/85/59/44/1289855944.db2.gz NKPBRFZRMZGXRL-AWEZNQCLSA-N 0 0 325.320 2.969 10 5 EFBERN CC(=O)N1CCC[C@H](COC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873511629 1289883200 /nfs/dbraw/zinc/88/32/00/1289883200.db2.gz KUUZZVBKJFHSJI-AWEZNQCLSA-N 0 0 334.372 2.627 10 5 EFBERN CO[C@]12CCC[C@@]1(C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)CCO2 ZINC000873511949 1289885710 /nfs/dbraw/zinc/88/57/10/1289885710.db2.gz FZRDXBODYGUWSV-GJZGRUSLSA-N 0 0 325.292 2.573 10 5 EFBERN COCC1(COC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CCOCC1 ZINC000873547260 1289912431 /nfs/dbraw/zinc/91/24/31/1289912431.db2.gz QCLJBMYJQWBBIQ-UHFFFAOYSA-N 0 0 337.372 2.812 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000124572490 1289932046 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O=[N+]([O-])c1ccc(N[C@H](CO)[C@H]2CCOC2)nc1-c1ccc(F)cc1 ZINC001185979179 1290804155 /nfs/dbraw/zinc/80/41/55/1290804155.db2.gz OVRPBYHUTAXNEU-GXTWGEPZSA-N 0 0 347.346 2.605 10 5 EFBERN Cc1cc(Br)ccc1NC(=O)Cn1ccnc1[N+](=O)[O-] ZINC001166674815 1312816780 /nfs/dbraw/zinc/81/67/80/1312816780.db2.gz LYIYPZFYLSIYJM-UHFFFAOYSA-N 0 0 339.149 2.501 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1 ZINC001186167189 1290897203 /nfs/dbraw/zinc/89/72/03/1290897203.db2.gz RFSQFPNYAOEWIR-CYBMUJFWSA-N 0 0 340.742 2.699 10 5 EFBERN Cc1ccc(C2=NO[C@@H](CNc3nn(C)cc3[N+](=O)[O-])C2)cc1C ZINC001186230775 1290905596 /nfs/dbraw/zinc/90/55/96/1290905596.db2.gz OQZBQRGWKJEAEA-CYBMUJFWSA-N 0 0 329.360 2.550 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCC(c4ncco4)CC3)cc2N1 ZINC001186790671 1291018908 /nfs/dbraw/zinc/01/89/08/1291018908.db2.gz JPGJZQKYMQTYJZ-UHFFFAOYSA-N 0 0 342.355 2.852 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCCNc1ncccn1 ZINC001186888048 1291034715 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CC[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001187669230 1291209709 /nfs/dbraw/zinc/20/97/09/1291209709.db2.gz CVTJPRLYPDEURE-LBPRGKRZSA-N 0 0 348.334 2.800 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCn2nc(C3CC3)cc2C1 ZINC001187791723 1291233858 /nfs/dbraw/zinc/23/38/58/1291233858.db2.gz FUZFQYQGAUBOPQ-UHFFFAOYSA-N 0 0 329.316 2.597 10 5 EFBERN CCOC(=O)c1ccc(NCCNc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC001187808178 1291237310 /nfs/dbraw/zinc/23/73/10/1291237310.db2.gz ZIXRGNHFSSQOIW-UHFFFAOYSA-N 0 0 348.334 2.830 10 5 EFBERN CCOc1cc(N2CCC[C@@H](c3cn(C)nn3)C2)ccc1[N+](=O)[O-] ZINC001187872439 1291259384 /nfs/dbraw/zinc/25/93/84/1291259384.db2.gz XTWUTVFDAZHHNF-GFCCVEGCSA-N 0 0 331.376 2.506 10 5 EFBERN COc1cc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)ccc1C ZINC001187987046 1291279545 /nfs/dbraw/zinc/27/95/45/1291279545.db2.gz KXLZHHIGSLFTER-UHFFFAOYSA-N 0 0 325.324 2.670 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)c(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877694052 1291331786 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O=[N+]([O-])c1ccccc1-c1nnn(Cc2ccn(C3CCCC3)n2)n1 ZINC001166912777 1312865141 /nfs/dbraw/zinc/86/51/41/1312865141.db2.gz KPZBWOVRSSEZIC-UHFFFAOYSA-N 0 0 339.359 2.608 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnn(CCCc2nc3ccccc3[nH]2)n1 ZINC001166918232 1312866574 /nfs/dbraw/zinc/86/65/74/1312866574.db2.gz MIUHLUJJTOPXSV-UHFFFAOYSA-N 0 0 349.354 2.757 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CCC3(CCOCC3)O1)C2 ZINC000878303264 1291613804 /nfs/dbraw/zinc/61/38/04/1291613804.db2.gz LRQMCDQTALDMME-OAHLLOKOSA-N 0 0 332.400 2.681 10 5 EFBERN COc1cc(COC(=O)Cc2ccc(F)cn2)c([N+](=O)[O-])cc1F ZINC000795887629 1291614180 /nfs/dbraw/zinc/61/41/80/1291614180.db2.gz GQYLPBFBJVFLBZ-UHFFFAOYSA-N 0 0 338.266 2.563 10 5 EFBERN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccsc2)c2cccnc21 ZINC000795931463 1291714764 /nfs/dbraw/zinc/71/47/64/1291714764.db2.gz WOBNFOXTGYYECV-UHFFFAOYSA-N 0 0 336.350 2.972 10 5 EFBERN CC(=O)c1nn(C)cc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166963363 1312872809 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Cc1c(Cn2cc([N+](=O)[O-])nc2Br)cccc1[N+](=O)[O-] ZINC001189770374 1291852709 /nfs/dbraw/zinc/85/27/09/1291852709.db2.gz SHNNLKWYABVLFS-UHFFFAOYSA-N 0 0 341.121 2.819 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCC(F)F ZINC000796012029 1291870752 /nfs/dbraw/zinc/87/07/52/1291870752.db2.gz RNMOBSSVHIZMKM-QMMMGPOBSA-N 0 0 346.286 2.519 10 5 EFBERN CCOc1ccc(NC(=O)COC(=O)CCC(F)F)c([N+](=O)[O-])c1 ZINC000796028404 1291886803 /nfs/dbraw/zinc/88/68/03/1291886803.db2.gz XLGGDCXITRPRLP-UHFFFAOYSA-N 0 0 346.286 2.521 10 5 EFBERN Cc1c(NC(=O)[C@H](C)OC(=O)CCC(F)F)cccc1[N+](=O)[O-] ZINC000796016448 1291906143 /nfs/dbraw/zinc/90/61/43/1291906143.db2.gz XNIBZYIWVLILCD-VIFPVBQESA-N 0 0 330.287 2.819 10 5 EFBERN O=C(COC(=O)CCC(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000796018524 1291908642 /nfs/dbraw/zinc/90/86/42/1291908642.db2.gz QQRSWBSJOLTOCL-UHFFFAOYSA-N 0 0 336.678 2.775 10 5 EFBERN COc1cc(S(=O)(=O)Oc2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000796055489 1291909778 /nfs/dbraw/zinc/90/97/78/1291909778.db2.gz WYCZRQYYWBNOSM-UHFFFAOYSA-N 0 0 348.336 2.852 10 5 EFBERN Cc1ccc(N2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000796085772 1291946445 /nfs/dbraw/zinc/94/64/45/1291946445.db2.gz FFKHCCDPPQJPLY-UHFFFAOYSA-N 0 0 343.358 2.891 10 5 EFBERN COC(=O)c1cnoc1COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001190220234 1292050141 /nfs/dbraw/zinc/05/01/41/1292050141.db2.gz OEGOMNZLTOXIDW-UHFFFAOYSA-N 0 0 346.217 2.967 10 5 EFBERN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000775365375 1292060986 /nfs/dbraw/zinc/06/09/86/1292060986.db2.gz OYVZWZCHVLCEAV-ZZIWIRLVSA-N 0 0 346.383 2.798 10 5 EFBERN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001190635761 1292260471 /nfs/dbraw/zinc/26/04/71/1292260471.db2.gz OSAFFBBSQALGRX-UHFFFAOYSA-N 0 0 333.432 2.998 10 5 EFBERN CCn1cncc1S(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000796203943 1292399526 /nfs/dbraw/zinc/39/95/26/1292399526.db2.gz DJFBWIVJPKTHBW-UHFFFAOYSA-N 0 0 345.764 2.541 10 5 EFBERN Cc1cc(CS(=O)(=O)Oc2cc(C)c([N+](=O)[O-])cc2Cl)no1 ZINC000796205888 1292403207 /nfs/dbraw/zinc/40/32/07/1292403207.db2.gz STIZCDFHNUVJTM-UHFFFAOYSA-N 0 0 346.748 2.762 10 5 EFBERN CCCc1[nH]nc(C(=O)OCc2nc3cc(F)ccc3o2)c1[N+](=O)[O-] ZINC000796268664 1292677332 /nfs/dbraw/zinc/67/73/32/1292677332.db2.gz VNWUMDZHPXTFFX-UHFFFAOYSA-N 0 0 348.290 2.908 10 5 EFBERN CN(C(=O)COC(=O)CC1CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000796279078 1292733276 /nfs/dbraw/zinc/73/32/76/1292733276.db2.gz ZFKXEOLKYRDGFG-UHFFFAOYSA-N 0 0 334.372 2.927 10 5 EFBERN CC[C@H](N[C@@H](C)c1nc(-c2nc[nH]n2)no1)c1cccc([N+](=O)[O-])c1 ZINC001192801192 1293052536 /nfs/dbraw/zinc/05/25/36/1293052536.db2.gz DVKXTALPXWUEKB-CABZTGNLSA-N 0 0 343.347 2.565 10 5 EFBERN CC(=O)c1c(NCC2(C(=O)N(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000881982440 1293068797 /nfs/dbraw/zinc/06/87/97/1293068797.db2.gz XCHALEWRAULHPG-UHFFFAOYSA-N 0 0 333.388 2.858 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000882103644 1293100483 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EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](O)C(F)(F)C(F)(F)F ZINC000882975904 1293413162 /nfs/dbraw/zinc/41/31/62/1293413162.db2.gz KYNCXXBYKXFDDY-JTQLQIEISA-N 0 0 342.220 2.768 10 5 EFBERN CS(=O)(=O)c1ccc(N[C@@H]2CCC[C@]23CCCO3)c([N+](=O)[O-])c1 ZINC000882984763 1293416011 /nfs/dbraw/zinc/41/60/11/1293416011.db2.gz SPBVACLDHXLKCO-CABCVRRESA-N 0 0 340.401 2.512 10 5 EFBERN CO[C@H]1CC[C@@H](OC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000800029941 1293888794 /nfs/dbraw/zinc/88/87/94/1293888794.db2.gz UMGKVLVHNDTSLL-VHSXEESVSA-N 0 0 331.271 2.921 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000800090395 1293913846 /nfs/dbraw/zinc/91/38/46/1293913846.db2.gz CYEXVDWDBGAGOZ-AWEZNQCLSA-N 0 0 346.770 2.911 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800089201 1293914049 /nfs/dbraw/zinc/91/40/49/1293914049.db2.gz HYCKXWDWPZCQLX-CQSZACIVSA-N 0 0 346.770 2.911 10 5 EFBERN COc1ccc(CC(=O)OC[C@@H](F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000800159807 1293936064 /nfs/dbraw/zinc/93/60/64/1293936064.db2.gz ADHUALNQWWSFAK-SNVBAGLBSA-N 0 0 325.214 2.590 10 5 EFBERN COc1cc(C(=O)OC[C@H](F)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000800212042 1293959025 /nfs/dbraw/zinc/95/90/25/1293959025.db2.gz APPSLZLNJTWWMX-JTQLQIEISA-N 0 0 325.214 2.969 10 5 EFBERN Cc1cc(OS(=O)(=O)C[C@@H]2CCC2(F)F)c(F)cc1[N+](=O)[O-] ZINC000867123681 1294010724 /nfs/dbraw/zinc/01/07/24/1294010724.db2.gz CHWZSMWPNPEDHX-QMMMGPOBSA-N 0 0 339.291 2.796 10 5 EFBERN C=CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1F ZINC001137206481 1294071294 /nfs/dbraw/zinc/07/12/94/1294071294.db2.gz UIBSLSNWRZEVGH-UHFFFAOYSA-N 0 0 344.302 2.693 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(CC2(c3ccccc3)CC2)no1 ZINC000867141492 1294079597 /nfs/dbraw/zinc/07/95/97/1294079597.db2.gz DCDSOAZEBFWVOO-UHFFFAOYSA-N 0 0 339.355 2.805 10 5 EFBERN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccns1 ZINC001195979731 1294091240 /nfs/dbraw/zinc/09/12/40/1294091240.db2.gz WOSGJMQELGMOKI-UHFFFAOYSA-N 0 0 340.792 2.775 10 5 EFBERN O=C(C[N@@H+]1CCC[C@@H](C2CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001196255640 1294172899 /nfs/dbraw/zinc/17/28/99/1294172899.db2.gz XAQRKGMMOGSQQH-MRXNPFEDSA-N 0 0 343.427 2.996 10 5 EFBERN CC(=O)c1cc(NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)ccc1[N+](=O)[O-] ZINC000884697078 1294222563 /nfs/dbraw/zinc/22/25/63/1294222563.db2.gz ULXHTOWDGSQQJC-YLVFBTJISA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1cc(NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)ccc1[N+](=O)[O-] ZINC000884697076 1294223131 /nfs/dbraw/zinc/22/31/31/1294223131.db2.gz ULXHTOWDGSQQJC-PZSREKOKSA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000884697430 1294223199 /nfs/dbraw/zinc/22/31/99/1294223199.db2.gz ZFVHNQADKVCYPV-PZSREKOKSA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1ccc(N2CCC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000884709213 1294228426 /nfs/dbraw/zinc/22/84/26/1294228426.db2.gz ZSELZJAFUADLJQ-CQSZACIVSA-N 0 0 326.356 2.971 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](c2ncccn2)C1 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COC(=O)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])C1CCCCC1 ZINC001163868448 1312399590 /nfs/dbraw/zinc/39/95/90/1312399590.db2.gz ZTUJZFGUYBSCQG-LLVKDONJSA-N 0 0 341.795 2.847 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001163925834 1312408768 /nfs/dbraw/zinc/40/87/68/1312408768.db2.gz VHMRHLMDMWSQKS-UHFFFAOYSA-N 0 0 347.758 2.837 10 5 EFBERN Cc1cccc(CN2CCO[C@@H](CNc3ncccc3[N+](=O)[O-])C2)c1 ZINC001163938809 1312411091 /nfs/dbraw/zinc/41/10/91/1312411091.db2.gz OTQNKGCYBPRXHI-INIZCTEOSA-N 0 0 342.399 2.611 10 5 EFBERN O=c1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]c2ccccc12 ZINC001163938870 1312411457 /nfs/dbraw/zinc/41/14/57/1312411457.db2.gz RQMZETZENXMSLT-UHFFFAOYSA-N 0 0 335.323 2.925 10 5 EFBERN Cc1ccc(CNc2ccc3nnc(C(F)F)n3n2)cc1[N+](=O)[O-] ZINC001163947689 1312412627 /nfs/dbraw/zinc/41/26/27/1312412627.db2.gz XXMYTHKNOSOHSF-UHFFFAOYSA-N 0 0 334.286 2.891 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CCc2ncncc2C1 ZINC001163983425 1312420095 /nfs/dbraw/zinc/42/00/95/1312420095.db2.gz BNWKFRHNUHRHBE-UHFFFAOYSA-N 0 0 335.161 2.710 10 5 EFBERN CCc1nn(C)c(Nc2cccc([S@](C)(=O)=NC)c2)c1[N+](=O)[O-] ZINC001163989840 1312421539 /nfs/dbraw/zinc/42/15/39/1312421539.db2.gz ICMSEHQBEKWFHN-QHCPKHFHSA-N 0 0 337.405 2.721 10 5 EFBERN O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCCS3(=O)=O)sc2c1 ZINC001164022581 1312430475 /nfs/dbraw/zinc/43/04/75/1312430475.db2.gz SHYQFEBARNLGPB-SNVBAGLBSA-N 0 0 341.414 2.584 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001164102554 1312448094 /nfs/dbraw/zinc/44/80/94/1312448094.db2.gz CHWUIOBNVSEDMN-DVYJOKAKSA-N 0 0 332.278 2.829 10 5 EFBERN NC(=O)c1cc(N[C@H]2c3ccccc3OC[C@@H]2F)ccc1[N+](=O)[O-] ZINC001164114819 1312450521 /nfs/dbraw/zinc/45/05/21/1312450521.db2.gz UOZRDBNKVHMBBS-WFASDCNBSA-N 0 0 331.303 2.577 10 5 EFBERN Cc1cc(=O)[nH]c(N2CCC[C@H](Nc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC001164131663 1312453791 /nfs/dbraw/zinc/45/37/91/1312453791.db2.gz VXUXUPJFMCDIJM-NSHDSACASA-N 0 0 347.350 2.619 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H](O)Cc2ccc(F)cc2)s1 ZINC001164152079 1312457521 /nfs/dbraw/zinc/45/75/21/1312457521.db2.gz MJICHAHEHWHABL-NSHDSACASA-N 0 0 348.359 2.754 10 5 EFBERN CCOC(=O)c1ccnc(NCc2cc(C(F)F)on2)c1[N+](=O)[O-] ZINC001164153103 1312457684 /nfs/dbraw/zinc/45/76/84/1312457684.db2.gz YQZRSKBSEXJWSP-UHFFFAOYSA-N 0 0 342.258 2.704 10 5 EFBERN CCN1CCC[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1=O ZINC001164190640 1312465174 /nfs/dbraw/zinc/46/51/74/1312465174.db2.gz HSHKRCQSWGKULR-GFCCVEGCSA-N 0 0 349.778 2.614 10 5 EFBERN C[C@H](c1ccccc1)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001164196020 1312465936 /nfs/dbraw/zinc/46/59/36/1312465936.db2.gz XFKFNYRXFHKVEA-MLGOLLRUSA-N 0 0 340.383 2.861 10 5 EFBERN COc1c[nH]nc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001164203632 1312467415 /nfs/dbraw/zinc/46/74/15/1312467415.db2.gz DFZVPOVXDOJBHZ-UHFFFAOYSA-N 0 0 330.222 2.598 10 5 EFBERN C[C@H](Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001164226499 1312472622 /nfs/dbraw/zinc/47/26/22/1312472622.db2.gz RXIYFAFOEKSFNS-YFKPBYRVSA-N 0 0 346.225 2.813 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)C2CCOCC2)n1 ZINC001164254625 1312479649 /nfs/dbraw/zinc/47/96/49/1312479649.db2.gz FOVQDPJGXQIOJQ-UHFFFAOYSA-N 0 0 337.376 2.641 10 5 EFBERN COc1cnc([C@@H]2CCCN2c2cc(C)c([N+](=O)[O-])cc2F)[nH]c1=O ZINC001164303599 1312488518 /nfs/dbraw/zinc/48/85/18/1312488518.db2.gz VIKMXXTVEHGYKP-NSHDSACASA-N 0 0 348.334 2.888 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC001231412328 1312492260 /nfs/dbraw/zinc/49/22/60/1312492260.db2.gz ZSNGEZJRQLZMDZ-IPYPFGDCSA-N 0 0 349.387 2.687 10 5 EFBERN CC[C@H](NC(=O)N[C@@H](CCO)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001231412055 1312492830 /nfs/dbraw/zinc/49/28/30/1312492830.db2.gz NBPSLHQKDMYVNN-RYUDHWBXSA-N 0 0 349.309 2.658 10 5 EFBERN NS(=O)(=O)c1cccc(NC[C@@H]2CCC=CCCC2)c1[N+](=O)[O-] ZINC001164333135 1312494095 /nfs/dbraw/zinc/49/40/95/1312494095.db2.gz SZFGNHOTGVCHCR-GFCCVEGCSA-N 0 0 339.417 2.791 10 5 EFBERN O=[N+]([O-])c1c(N[C@@H](CO)c2cc(F)ccc2F)nc2ccccn21 ZINC001164364217 1312500690 /nfs/dbraw/zinc/50/06/90/1312500690.db2.gz FCBLXKYMJWRABV-LBPRGKRZSA-N 0 0 334.282 2.666 10 5 EFBERN CCOC(OCC)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC001164401254 1312509056 /nfs/dbraw/zinc/50/90/56/1312509056.db2.gz WWRLJYSUXVOZFZ-MRVPVSSYSA-N 0 0 348.197 2.952 10 5 EFBERN CC1(C)CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC001164465092 1312519168 /nfs/dbraw/zinc/51/91/68/1312519168.db2.gz KWDDZHYLDNOXTM-UHFFFAOYSA-N 0 0 330.319 2.649 10 5 EFBERN Cn1ccnc1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164542379 1312536456 /nfs/dbraw/zinc/53/64/56/1312536456.db2.gz PQPLTMZPOJCVHT-UHFFFAOYSA-N 0 0 334.382 2.913 10 5 EFBERN Cn1cc(COc2ccc(Br)cc2F)c([N+](=O)[O-])n1 ZINC001164556604 1312538849 /nfs/dbraw/zinc/53/88/49/1312538849.db2.gz CWCHZZFQOMPKEL-UHFFFAOYSA-N 0 0 330.113 2.809 10 5 EFBERN CSc1cccnc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001164568806 1312541223 /nfs/dbraw/zinc/54/12/23/1312541223.db2.gz HSZCNQIZYBHQEF-UHFFFAOYSA-N 0 0 347.381 2.969 10 5 EFBERN O=C1c2ccccc2C(=O)N1OCCCOc1ccc([N+](=O)[O-])cc1 ZINC001164575418 1312542289 /nfs/dbraw/zinc/54/22/89/1312542289.db2.gz JEDYWYBJGSFXMF-UHFFFAOYSA-N 0 0 342.307 2.592 10 5 EFBERN Cn1cc(COc2ccc(F)cc2Br)c([N+](=O)[O-])n1 ZINC001164637803 1312553619 /nfs/dbraw/zinc/55/36/19/1312553619.db2.gz MODHPNCPZOICOK-UHFFFAOYSA-N 0 0 330.113 2.809 10 5 EFBERN C[C@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000803408013 1312593882 /nfs/dbraw/zinc/59/38/82/1312593882.db2.gz VUBPIGJDCKGCGW-VIFPVBQESA-N 0 0 329.299 2.979 10 5 EFBERN O=C(OC[C@H]1Cc2ccccc21)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000803423573 1312611940 /nfs/dbraw/zinc/61/19/40/1312611940.db2.gz BJCFRNRYRVTHPE-GFCCVEGCSA-N 0 0 327.292 2.820 10 5 EFBERN COC(=O)c1cc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1C ZINC001165344618 1312613192 /nfs/dbraw/zinc/61/31/92/1312613192.db2.gz FMSGGODVEPRBIV-UHFFFAOYSA-N 0 0 342.307 2.646 10 5 EFBERN Cn1cc(C(C)(C)C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000803430856 1312621270 /nfs/dbraw/zinc/62/12/70/1312621270.db2.gz OZQWZNCBGGDOND-UHFFFAOYSA-N 0 0 339.298 2.628 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001277618141 1312631181 /nfs/dbraw/zinc/63/11/81/1312631181.db2.gz YAKUBMMMNKTIHE-NSHDSACASA-N 0 0 346.314 2.596 10 5 EFBERN Cc1noc(CSc2nccn2Cc2ccccn2)c1[N+](=O)[O-] ZINC001165672354 1312660587 /nfs/dbraw/zinc/66/05/87/1312660587.db2.gz NWPWCFQCEGWYKB-UHFFFAOYSA-N 0 0 331.357 2.823 10 5 EFBERN CC(=O)c1ccc(OS(=O)(=O)C[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC001211165445 1314443922 /nfs/dbraw/zinc/44/39/22/1314443922.db2.gz VHVXSHMJOPXZCE-VIFPVBQESA-N 0 0 327.358 2.552 10 5 EFBERN C[C@@H]1CCC[C@@H](C)C1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178703814 1314663803 /nfs/dbraw/zinc/66/38/03/1314663803.db2.gz KRSJPXIWMMLSDP-VXGBXAGGSA-N 0 0 326.418 2.839 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001248640561 1314950333 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0 0 348.355 2.512 10 5 EFBERN COc1ccc([S@@](C)(=O)=NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC001289025806 1321798773 /nfs/dbraw/zinc/79/87/73/1321798773.db2.gz BSNBBQYHIAWRHK-XMMPIXPASA-N 0 0 349.368 2.604 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001289081082 1321799765 /nfs/dbraw/zinc/79/97/65/1321799765.db2.gz FLUKRMIYBZBNKJ-SECBINFHSA-N 0 0 333.369 2.758 10 5 EFBERN COC(=O)c1cc2cccnc2c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC001289230155 1321807869 /nfs/dbraw/zinc/80/78/69/1321807869.db2.gz KPZRCVHIKYCLQA-UHFFFAOYSA-N 0 0 341.279 2.775 10 5 EFBERN COC(=O)c1ccccc1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001289234200 1321808349 /nfs/dbraw/zinc/80/83/49/1321808349.db2.gz GFALKZAIRQAILF-UHFFFAOYSA-N 0 0 342.351 2.662 10 5 EFBERN CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001289256262 1321809536 /nfs/dbraw/zinc/80/95/36/1321809536.db2.gz RCVCODJYRNEXCG-NHYWBVRUSA-N 0 0 349.387 2.618 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2)COC1 ZINC001289306699 1321811826 /nfs/dbraw/zinc/81/18/26/1321811826.db2.gz JIERTCNXSRECMS-UHFFFAOYSA-N 0 0 344.392 2.972 10 5 EFBERN C[C@H](CNC(=O)Cc1cnn2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001289349573 1321813694 /nfs/dbraw/zinc/81/36/94/1321813694.db2.gz TVSOKSWBOZGAEI-CYBMUJFWSA-N 0 0 338.367 2.705 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC001289489942 1321818569 /nfs/dbraw/zinc/81/85/69/1321818569.db2.gz DNUWYDLSYUAENA-NWDGAFQWSA-N 0 0 330.344 2.606 10 5 EFBERN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC001289489944 1321818787 /nfs/dbraw/zinc/81/87/87/1321818787.db2.gz DNUWYDLSYUAENA-VXGBXAGGSA-N 0 0 330.344 2.606 10 5 EFBERN CCc1nccc(C)c1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001289678423 1321823420 /nfs/dbraw/zinc/82/34/20/1321823420.db2.gz AYTJFWARWVERMG-UHFFFAOYSA-N 0 0 343.339 2.900 10 5 EFBERN CCC(CC)N1C[C@H](C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1=O ZINC001289784369 1321827419 /nfs/dbraw/zinc/82/74/19/1321827419.db2.gz CUHUZXRFAVZRSV-GFCCVEGCSA-N 0 0 333.388 2.879 10 5 EFBERN Cc1cc(NC(=O)c2cc(-c3ccncc3)nn2C)cc([N+](=O)[O-])c1 ZINC001289786045 1321827699 /nfs/dbraw/zinc/82/76/99/1321827699.db2.gz WGFNWTOKJPKQOB-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001289876050 1321832968 /nfs/dbraw/zinc/83/29/68/1321832968.db2.gz WSQOFEVSXLTMNU-OSAQELSMSA-N 0 0 334.372 2.546 10 5 EFBERN C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCCCC1 ZINC001290229089 1321885961 /nfs/dbraw/zinc/88/59/61/1321885961.db2.gz ZNHAPEROHYCXNZ-UHFFFAOYSA-N 0 0 335.404 2.685 10 5 EFBERN O=C(N[C@H]1CCSc2ccccc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001290235526 1321886784 /nfs/dbraw/zinc/88/67/84/1321886784.db2.gz QKRMQQFSUFHZMF-QMMMGPOBSA-N 0 0 338.776 2.938 10 5 EFBERN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001290334781 1321899652 /nfs/dbraw/zinc/89/96/52/1321899652.db2.gz OPYSTFYGARPAPN-CHWSQXEVSA-N 0 0 338.323 2.919 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001290712077 1321944805 /nfs/dbraw/zinc/94/48/05/1321944805.db2.gz MMHUFMUEDLAKIB-UHFFFAOYSA-N 0 0 337.339 2.652 10 5 EFBERN CCCN(Cc1ccc(F)cc1F)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001290722631 1321945254 /nfs/dbraw/zinc/94/52/54/1321945254.db2.gz JHQRKJHAWHHEMJ-UHFFFAOYSA-N 0 0 338.314 2.659 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](O)C1CCCCCCC1 ZINC001290824187 1321964121 /nfs/dbraw/zinc/96/41/21/1321964121.db2.gz SVKPONORDOXVGA-KRWDZBQOSA-N 0 0 349.431 2.844 10 5 EFBERN COC(=O)CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001290875354 1321967423 /nfs/dbraw/zinc/96/74/23/1321967423.db2.gz ZUPNOHAFARNXDW-JKSUJKDBSA-N 0 0 348.399 2.938 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CSCCS1 ZINC001306989007 1321978712 /nfs/dbraw/zinc/97/87/12/1321978712.db2.gz WMFJYEDDRUWXBK-SNVBAGLBSA-N 0 0 339.417 2.965 10 5 EFBERN CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001291690165 1321996243 /nfs/dbraw/zinc/99/62/43/1321996243.db2.gz LITWWSDGOPINEP-UHFFFAOYSA-N 0 0 329.356 2.848 10 5 EFBERN COc1cccc2c(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cnn21 ZINC001291742642 1322004765 /nfs/dbraw/zinc/00/47/65/1322004765.db2.gz RDXUPSFDMMCOBZ-NSHDSACASA-N 0 0 340.339 2.742 10 5 EFBERN C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001291742658 1322005225 /nfs/dbraw/zinc/00/52/25/1322005225.db2.gz ROQFNUMIRXKUBZ-HZMBPMFUSA-N 0 0 330.344 2.660 10 5 EFBERN CC[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001307122628 1322040543 /nfs/dbraw/zinc/04/05/43/1322040543.db2.gz OONBVRWYSXVPMB-SECBINFHSA-N 0 0 344.799 2.780 10 5 EFBERN O=C(NCCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1F ZINC001292165540 1322040874 /nfs/dbraw/zinc/04/08/74/1322040874.db2.gz RCPVDAGYXWRXMZ-UHFFFAOYSA-N 0 0 342.330 2.973 10 5 EFBERN Cc1noc2ncc(NC(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)cc12 ZINC001292444439 1322075122 /nfs/dbraw/zinc/07/51/22/1322075122.db2.gz KQMFNOGNFYGGRK-UHFFFAOYSA-N 0 0 347.718 2.927 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001292444839 1322075236 /nfs/dbraw/zinc/07/52/36/1322075236.db2.gz HJGCCLFLBVUROW-UHFFFAOYSA-N 0 0 345.330 2.898 10 5 EFBERN CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001292478122 1322080405 /nfs/dbraw/zinc/08/04/05/1322080405.db2.gz PTNIFFLQXNXTAE-HNNXBMFYSA-N 0 0 349.774 2.986 10 5 EFBERN Cn1ccc2c1cccc2NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001292612560 1322093555 /nfs/dbraw/zinc/09/35/55/1322093555.db2.gz SUDNHGBCTPGGNL-MRXNPFEDSA-N 0 0 325.324 2.759 10 5 EFBERN Cc1csc(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2N)n1 ZINC001292750113 1322115114 /nfs/dbraw/zinc/11/51/14/1322115114.db2.gz IKBDDXJCZIJWTK-UHFFFAOYSA-N 0 0 334.401 2.695 10 5 EFBERN CC1(C)C[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001293248755 1322215794 /nfs/dbraw/zinc/21/57/94/1322215794.db2.gz QDOWQRYXEXZFCS-NSHDSACASA-N 0 0 329.356 2.684 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC001293541800 1322280346 /nfs/dbraw/zinc/28/03/46/1322280346.db2.gz PGEGCYFYKLFTLL-UHFFFAOYSA-N 0 0 341.298 2.714 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CC(=O)N3)c1C ZINC001293554895 1322283528 /nfs/dbraw/zinc/28/35/28/1322283528.db2.gz OMFXLWFABFIDTR-UHFFFAOYSA-N 0 0 325.324 2.959 10 5 EFBERN Cc1ccc(C[C@@H](C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001293673561 1322318002 /nfs/dbraw/zinc/31/80/02/1322318002.db2.gz SYWQEFQERNBGTA-ZCFIWIBFSA-N 0 0 328.781 2.702 10 5 EFBERN CCC[C@@](C)(O)Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001293802410 1322358123 /nfs/dbraw/zinc/35/81/23/1322358123.db2.gz PVURLPXHWMBOHN-QGZVFWFLSA-N 0 0 347.419 2.682 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1C[C@@H](O)C12CCC2 ZINC001307169776 1322407525 /nfs/dbraw/zinc/40/75/25/1322407525.db2.gz UWSWFAFHXNDDHW-CHWSQXEVSA-N 0 0 333.775 2.934 10 5 EFBERN COc1cc(=O)[nH]cc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001294095924 1322408111 /nfs/dbraw/zinc/40/81/11/1322408111.db2.gz YJRBBZZFLGTZAR-SNVBAGLBSA-N 0 0 331.328 2.503 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1(CC)CC ZINC001294130823 1322413933 /nfs/dbraw/zinc/41/39/33/1322413933.db2.gz ONLGRVWUHFWKML-GJZGRUSLSA-N 0 0 335.404 2.891 10 5 EFBERN CC[C@@](C)(CC(=O)OC)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001294344883 1322457476 /nfs/dbraw/zinc/45/74/76/1322457476.db2.gz TTZMMWSNZUZPLM-HNNXBMFYSA-N 0 0 342.779 2.639 10 5 EFBERN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cn1 ZINC001294731032 1322549601 /nfs/dbraw/zinc/54/96/01/1322549601.db2.gz ZDMVSDWGPBPIOJ-UHFFFAOYSA-N 0 0 338.323 2.864 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001307178383 1322574990 /nfs/dbraw/zinc/57/49/90/1322574990.db2.gz YYTRKTVDNBHLGB-XYPYZODXSA-N 0 0 339.396 2.576 10 5 EFBERN O=C(Nc1ccc(OCCO)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001294861048 1322582856 /nfs/dbraw/zinc/58/28/56/1322582856.db2.gz YQHFTNZLQNKQQO-IAGOWNOFSA-N 0 0 342.351 2.708 10 5 EFBERN O=C(NC[C@@H](CO)c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001294976979 1322613476 /nfs/dbraw/zinc/61/34/76/1322613476.db2.gz OKIMRIDCZJLLPR-LBPRGKRZSA-N 0 0 334.759 2.754 10 5 EFBERN CC[C@@H](C[C@H](C)CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001295014601 1322618882 /nfs/dbraw/zinc/61/88/82/1322618882.db2.gz ZDTDOEYVXHNXSH-JQWIXIFHSA-N 0 0 328.796 2.704 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(C(F)F)n[nH]1 ZINC001295035976 1322622156 /nfs/dbraw/zinc/62/21/56/1322622156.db2.gz DIKPQGUVEIXEAR-UHFFFAOYSA-N 0 0 330.678 2.839 10 5 EFBERN NC(=O)c1cc2cc(Nc3c4ccccc4ncc3[N+](=O)[O-])ccc2[nH]1 ZINC001307182864 1322625253 /nfs/dbraw/zinc/62/52/53/1322625253.db2.gz URAHURPWMBAJSY-UHFFFAOYSA-N 0 0 347.334 2.889 10 5 EFBERN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC001295252886 1322664348 /nfs/dbraw/zinc/66/43/48/1322664348.db2.gz CSIUUNOYWIZQTE-RFAUZJTJSA-N 0 0 336.294 2.784 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001295393166 1322694165 /nfs/dbraw/zinc/69/41/65/1322694165.db2.gz ABMQBNDEDBATAP-STQMWFEESA-N 0 0 338.791 2.676 10 5 EFBERN Cc1nc2c(s1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)CCC2 ZINC001295451456 1322703329 /nfs/dbraw/zinc/70/33/29/1322703329.db2.gz CDZYJYMARODHCX-CYBMUJFWSA-N 0 0 332.385 2.749 10 5 EFBERN O=C(Nc1ccc(O)cc1F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001295478529 1322708370 /nfs/dbraw/zinc/70/83/70/1322708370.db2.gz FZJAEWCCEROORF-UHFFFAOYSA-N 0 0 342.286 2.878 10 5 EFBERN Cc1ccsc1[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001295488355 1322710323 /nfs/dbraw/zinc/71/03/23/1322710323.db2.gz DFBKRQKUTQOJHN-GFCCVEGCSA-N 0 0 338.360 2.876 10 5 EFBERN Cc1ncncc1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC001319974923 1329047830 /nfs/dbraw/zinc/04/78/30/1329047830.db2.gz XKXCNRNCQWZLRZ-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN CCCCN(CCCO)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001295734066 1322763284 /nfs/dbraw/zinc/76/32/84/1322763284.db2.gz RBEPVZRNKKCKQA-UHFFFAOYSA-N 0 0 328.796 2.802 10 5 EFBERN Cc1cnc2cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)ccn12 ZINC001295987724 1322836673 /nfs/dbraw/zinc/83/66/73/1322836673.db2.gz CFSQFNHCPMIMCO-UHFFFAOYSA-N 0 0 336.311 2.680 10 5 EFBERN COc1cc(C(=O)N[C@H](Cc2ccccc2)C(C)=O)ccc1[N+](=O)[O-] ZINC001296068739 1322848066 /nfs/dbraw/zinc/84/80/66/1322848066.db2.gz ORZYZSWGVXRMTQ-OAHLLOKOSA-N 0 0 342.351 2.534 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC2(C3CC3)CCOCC2)cc1[N+](=O)[O-] ZINC001296118557 1322855686 /nfs/dbraw/zinc/85/56/86/1322855686.db2.gz IPJWOHMEPDUNLA-UHFFFAOYSA-N 0 0 339.779 2.519 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC001296188545 1322863152 /nfs/dbraw/zinc/86/31/52/1322863152.db2.gz CDQBUOYEDKIFGY-UHFFFAOYSA-N 0 0 347.758 2.695 10 5 EFBERN Cc1c(CNC(=O)C(F)(F)C2(O)CCCCC2)cccc1[N+](=O)[O-] ZINC001296421090 1322910085 /nfs/dbraw/zinc/91/00/85/1322910085.db2.gz QNXURZPGUGSZDE-UHFFFAOYSA-N 0 0 342.342 2.850 10 5 EFBERN Cc1cc(Cl)c(C(=O)N[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001296567522 1322946016 /nfs/dbraw/zinc/94/60/16/1322946016.db2.gz GISZARZEZUNWSV-ZDUSSCGKSA-N 0 0 348.786 2.890 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1c[nH]c(=O)c2ccccc12 ZINC001307212284 1322948357 /nfs/dbraw/zinc/94/83/57/1322948357.db2.gz JNAKBSSSJLXVDP-UHFFFAOYSA-N 0 0 327.344 2.986 10 5 EFBERN C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1nc(C(F)(F)F)n[nH]1 ZINC001307219555 1323052512 /nfs/dbraw/zinc/05/25/12/1323052512.db2.gz PKRLCWXCQKJABG-RXMQYKEDSA-N 0 0 349.244 2.536 10 5 EFBERN Cc1cc(C)cc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001296933323 1323061543 /nfs/dbraw/zinc/06/15/43/1323061543.db2.gz SCBTXEGLJFACTF-INIZCTEOSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1cc(F)cc(C(=O)N[C@H](CO)CCC(C)(C)C)c1[N+](=O)[O-] ZINC001296990900 1323068011 /nfs/dbraw/zinc/06/80/11/1323068011.db2.gz XTUUPIAQJVPMHB-LBPRGKRZSA-N 0 0 326.368 2.959 10 5 EFBERN COc1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001297157061 1323105493 /nfs/dbraw/zinc/10/54/93/1323105493.db2.gz KPMJJVMSTAGQRW-CQSZACIVSA-N 0 0 336.731 2.929 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H](C)Cc2ccccc2OC)c1[N+](=O)[O-] ZINC001297231476 1323128999 /nfs/dbraw/zinc/12/89/99/1323128999.db2.gz IRCZLHQZTHSBEG-NSHDSACASA-N 0 0 346.387 2.640 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1c(Cl)n[nH]c1C1CC1 ZINC001297272539 1323144851 /nfs/dbraw/zinc/14/48/51/1323144851.db2.gz FWOYOSGMDCZLDK-UHFFFAOYSA-N 0 0 334.763 2.821 10 5 EFBERN CSc1ccc(O)c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001297272691 1323144997 /nfs/dbraw/zinc/14/49/97/1323144997.db2.gz HNESIHKCMQRCGS-UHFFFAOYSA-N 0 0 332.381 2.995 10 5 EFBERN CC[C@H](C)n1ncc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1C ZINC001297408610 1323207078 /nfs/dbraw/zinc/20/70/78/1323207078.db2.gz KOZVMNZXAQOONB-LURJTMIESA-N 0 0 326.744 2.700 10 5 EFBERN Cc1noc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001297638358 1323306425 /nfs/dbraw/zinc/30/64/25/1323306425.db2.gz QDYUVGVFTOPKSW-KFWWJZLASA-N 0 0 342.355 2.753 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]nc1-c1ccco1 ZINC001297645869 1323307615 /nfs/dbraw/zinc/30/76/15/1323307615.db2.gz LGVHNEJYQGTCHN-UHFFFAOYSA-N 0 0 340.339 2.893 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nc2cnccc2s1 ZINC001297645583 1323307996 /nfs/dbraw/zinc/30/79/96/1323307996.db2.gz KEKCZTGCHAOVHX-UHFFFAOYSA-N 0 0 342.380 2.914 10 5 EFBERN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(C)(C)O)C1CC1 ZINC001298118394 1323436459 /nfs/dbraw/zinc/43/64/59/1323436459.db2.gz LCNZSMNOVUUHNA-UHFFFAOYSA-N 0 0 345.403 2.613 10 5 EFBERN COC(=O)[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)C1 ZINC001298191686 1323453966 /nfs/dbraw/zinc/45/39/66/1323453966.db2.gz OIGTYEQFXMAENG-PHIMTYICSA-N 0 0 335.360 2.553 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001298260640 1323477231 /nfs/dbraw/zinc/47/72/31/1323477231.db2.gz HDSSTKAGJGRXSR-ZDUSSCGKSA-N 0 0 326.356 2.592 10 5 EFBERN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC001298370945 1323508051 /nfs/dbraw/zinc/50/80/51/1323508051.db2.gz CPALEYIFOARAAN-INIZCTEOSA-N 0 0 346.408 2.879 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC(c2ccc(F)cc2)C1 ZINC001298404363 1323514534 /nfs/dbraw/zinc/51/45/34/1323514534.db2.gz DASSHPBRYWWQFO-UHFFFAOYSA-N 0 0 330.315 2.739 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(-c2ncco2)cc1C ZINC001298474033 1323541940 /nfs/dbraw/zinc/54/19/40/1323541940.db2.gz DGHOBXAXZWMYRS-UHFFFAOYSA-N 0 0 341.327 2.702 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H](C2CCC2)C1 ZINC001298480169 1323544239 /nfs/dbraw/zinc/54/42/39/1323544239.db2.gz XRHAQRFHTGCMSQ-CYBMUJFWSA-N 0 0 336.363 2.931 10 5 EFBERN Nc1ncc(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001298514234 1323557544 /nfs/dbraw/zinc/55/75/44/1323557544.db2.gz WLCMUTDTKPRBPS-HIFRSBDPSA-N 0 0 340.383 2.886 10 5 EFBERN Nc1ncc(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001298514236 1323557712 /nfs/dbraw/zinc/55/77/12/1323557712.db2.gz WLCMUTDTKPRBPS-ZFWWWQNUSA-N 0 0 340.383 2.886 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](O)Cc1ccccc1 ZINC001298677325 1323586378 /nfs/dbraw/zinc/58/63/78/1323586378.db2.gz TXPKEASPGZEMJI-AWEZNQCLSA-N 0 0 346.358 2.718 10 5 EFBERN Cc1cc(C)n2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)c2n1 ZINC001298874783 1323627072 /nfs/dbraw/zinc/62/70/72/1323627072.db2.gz FAYVXTGEKFLUGZ-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2onc(C)c2c1 ZINC001299858270 1323710099 /nfs/dbraw/zinc/71/00/99/1323710099.db2.gz BGBCGJFZUPDXJC-UHFFFAOYSA-N 0 0 327.300 2.733 10 5 EFBERN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c(F)c1 ZINC001299931974 1323713506 /nfs/dbraw/zinc/71/35/06/1323713506.db2.gz KDUPVNRMWRRKSS-UHFFFAOYSA-N 0 0 340.257 2.951 10 5 EFBERN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001299947951 1323714497 /nfs/dbraw/zinc/71/44/97/1323714497.db2.gz NUMRQPPFDZZDLI-GUTXKFCHSA-N 0 0 342.355 2.912 10 5 EFBERN CN(CCNC(=O)c1cc2occc2[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001492275131 1324393948 /nfs/dbraw/zinc/39/39/48/1324393948.db2.gz CWRCEHKNEHNVSG-UHFFFAOYSA-N 0 0 342.355 2.531 10 5 EFBERN C[C@H]1CCC[C@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)O1 ZINC001300961612 1324516136 /nfs/dbraw/zinc/51/61/36/1324516136.db2.gz ARKWFEOUFSNHLT-WCBMZHEXSA-N 0 0 327.768 2.518 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc[nH]n1 ZINC001301213045 1324529039 /nfs/dbraw/zinc/52/90/39/1324529039.db2.gz LCVABYUFXOOWLM-HIFRSBDPSA-N 0 0 343.387 2.645 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)c1ccc(F)cc1F ZINC001301271696 1324532953 /nfs/dbraw/zinc/53/29/53/1324532953.db2.gz FVGOIUSOQBTFSQ-CYBMUJFWSA-N 0 0 336.294 2.645 10 5 EFBERN O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC001301441208 1324543044 /nfs/dbraw/zinc/54/30/44/1324543044.db2.gz OJMDKMZUZYYJCC-AWEZNQCLSA-N 0 0 330.315 2.605 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnn([C@H]2CCCCO2)c1 ZINC001301521708 1324546634 /nfs/dbraw/zinc/54/66/34/1324546634.db2.gz IEEJWXKUGFWRML-MRXNPFEDSA-N 0 0 346.343 2.508 10 5 EFBERN COCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CC1 ZINC001301684846 1324556122 /nfs/dbraw/zinc/55/61/22/1324556122.db2.gz PEXHNLXZLMIVQO-UHFFFAOYSA-N 0 0 345.403 2.736 10 5 EFBERN Cc1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)n1C ZINC001301917909 1324565201 /nfs/dbraw/zinc/56/52/01/1324565201.db2.gz POGLDJVMFGKJKH-UHFFFAOYSA-N 0 0 325.727 2.964 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001302263527 1324569863 /nfs/dbraw/zinc/56/98/63/1324569863.db2.gz XBZKABKEEBJJBU-CYBMUJFWSA-N 0 0 345.742 2.541 10 5 EFBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCSC ZINC001302333616 1324572900 /nfs/dbraw/zinc/57/29/00/1324572900.db2.gz ZADGANXRIIKGCO-UHFFFAOYSA-N 0 0 337.405 2.604 10 5 EFBERN C[C@](CO)(NC(=O)c1nc(C2CC2)cs1)c1cccc([N+](=O)[O-])c1 ZINC001302423969 1324577908 /nfs/dbraw/zinc/57/79/08/1324577908.db2.gz GESBFTWOIFSLSF-MRXNPFEDSA-N 0 0 347.396 2.566 10 5 EFBERN CNc1ccc(C(=O)Nc2ccnn2CC2CCC2)cc1[N+](=O)[O-] ZINC001302739883 1324585200 /nfs/dbraw/zinc/58/52/00/1324585200.db2.gz PKUYLFUPRODMSB-UHFFFAOYSA-N 0 0 329.360 2.885 10 5 EFBERN C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)Cc2cncnc21 ZINC001302946423 1324589022 /nfs/dbraw/zinc/58/90/22/1324589022.db2.gz KLYRZSVUWRHIAD-SNVBAGLBSA-N 0 0 337.339 2.626 10 5 EFBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cnn(C2CC2)c1 ZINC001303180343 1324595787 /nfs/dbraw/zinc/59/57/87/1324595787.db2.gz HNRRSJJUDLDNMR-UHFFFAOYSA-N 0 0 338.327 2.769 10 5 EFBERN COc1ccc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC001303290250 1324601122 /nfs/dbraw/zinc/60/11/22/1324601122.db2.gz JGUXWMDVLQUWTG-UHFFFAOYSA-N 0 0 344.367 2.519 10 5 EFBERN COc1ccc(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC001303290292 1324601336 /nfs/dbraw/zinc/60/13/36/1324601336.db2.gz KHAKBTPWFQNKSM-GFCCVEGCSA-N 0 0 344.367 2.771 10 5 EFBERN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Br ZINC001303327977 1324602280 /nfs/dbraw/zinc/60/22/80/1324602280.db2.gz BLRCXKOBTGKDNJ-UHFFFAOYSA-N 0 0 338.161 2.924 10 5 EFBERN O=C(Nc1cccc2nc[nH]c(=O)c21)c1cc(F)ccc1[N+](=O)[O-] ZINC001303464108 1324606573 /nfs/dbraw/zinc/60/65/73/1324606573.db2.gz YRGYGVMHZKCQLV-UHFFFAOYSA-N 0 0 328.259 2.635 10 5 EFBERN Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC001303498335 1324608642 /nfs/dbraw/zinc/60/86/42/1324608642.db2.gz SAXICRPDYADDCQ-LLVKDONJSA-N 0 0 347.396 2.572 10 5 EFBERN C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001303497855 1324609172 /nfs/dbraw/zinc/60/91/72/1324609172.db2.gz CLSUDKFXHPNMPM-SNVBAGLBSA-N 0 0 327.340 2.675 10 5 EFBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1cccc(Br)c1 ZINC001303573760 1324613274 /nfs/dbraw/zinc/61/32/74/1324613274.db2.gz VORZRBQYSYAHRQ-ZETCQYMHSA-N 0 0 339.149 2.823 10 5 EFBERN O=C(N[C@@H](CO)CCc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001303767603 1324620313 /nfs/dbraw/zinc/62/03/13/1324620313.db2.gz YAWIKOSAECCISM-OAHLLOKOSA-N 0 0 348.786 2.972 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2ncon2)C1 ZINC001303862741 1324624454 /nfs/dbraw/zinc/62/44/54/1324624454.db2.gz UOKHYRKGGNLDHM-CYBMUJFWSA-N 0 0 344.371 2.923 10 5 EFBERN C[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303990302 1324630571 /nfs/dbraw/zinc/63/05/71/1324630571.db2.gz WCLCMCLFZPEFDB-GFCCVEGCSA-N 0 0 345.321 2.684 10 5 EFBERN Cc1cc(C(=O)Nc2ccc3ncn(C)c3c2)c(N)c([N+](=O)[O-])c1 ZINC001304030664 1324633078 /nfs/dbraw/zinc/63/30/78/1324633078.db2.gz MUTJGZVEOHQHFI-UHFFFAOYSA-N 0 0 325.328 2.624 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C(=O)CNc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001304122689 1324640409 /nfs/dbraw/zinc/64/04/09/1324640409.db2.gz CROHKANCIYYQTN-HNNXBMFYSA-N 0 0 343.387 2.792 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001304200868 1324645379 /nfs/dbraw/zinc/64/53/79/1324645379.db2.gz QHECKLPIBKRPOF-WFASDCNBSA-N 0 0 338.791 2.865 10 5 EFBERN C[C@@]1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCCO1 ZINC001304240867 1324646839 /nfs/dbraw/zinc/64/68/39/1324646839.db2.gz KRRVKIMKCMUHDW-KRWDZBQOSA-N 0 0 345.355 2.538 10 5 EFBERN O=C(N[C@H]1CCCc2ccccc2C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001304319823 1324648164 /nfs/dbraw/zinc/64/81/64/1324648164.db2.gz ZISNLAKEVXHFPJ-NSHDSACASA-N 0 0 334.763 2.649 10 5 EFBERN Cc1ccc(NC(=O)C[C@@H](C)NC(=O)C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001304499823 1324652127 /nfs/dbraw/zinc/65/21/27/1324652127.db2.gz HBRLQOLXBXAOKB-LLVKDONJSA-N 0 0 348.403 2.509 10 5 EFBERN CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001304500837 1324652639 /nfs/dbraw/zinc/65/26/39/1324652639.db2.gz OSHUKGNVNAESFX-UHFFFAOYSA-N 0 0 346.318 2.835 10 5 EFBERN CNc1nccc(C(=O)N2Cc3cccc(Cl)c3C2)c1[N+](=O)[O-] ZINC001304636952 1324657997 /nfs/dbraw/zinc/65/79/97/1324657997.db2.gz XSKZDUGHZVGPFS-UHFFFAOYSA-N 0 0 332.747 2.841 10 5 EFBERN COc1c(F)nccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001304717743 1324660201 /nfs/dbraw/zinc/66/02/01/1324660201.db2.gz HCCNHFZYZKALFD-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN O=Cc1ccc(OCC(=O)Nc2cccnc2C2CC2)c([N+](=O)[O-])c1 ZINC001304780188 1324661147 /nfs/dbraw/zinc/66/11/47/1324661147.db2.gz FZNCJANJOGFSET-UHFFFAOYSA-N 0 0 341.323 2.697 10 5 EFBERN CC(C)Oc1cnccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001304825691 1324665411 /nfs/dbraw/zinc/66/54/11/1324665411.db2.gz ABVSEQKKAYFARX-UHFFFAOYSA-N 0 0 340.339 2.933 10 5 EFBERN Cc1cc(C)cc(C(=O)NCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001305600810 1324687327 /nfs/dbraw/zinc/68/73/27/1324687327.db2.gz GTXXTDOGMVKOEJ-UHFFFAOYSA-N 0 0 341.367 2.889 10 5 EFBERN COC(=O)/C=C/[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001305796485 1324690322 /nfs/dbraw/zinc/69/03/22/1324690322.db2.gz CPJRQNHVGCZQHK-LAHYYIKRSA-N 0 0 334.372 2.740 10 5 EFBERN C[C@@H]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC001305899837 1324693125 /nfs/dbraw/zinc/69/31/25/1324693125.db2.gz KOSPICZKPFFZBK-IAQYHMDHSA-N 0 0 340.807 2.800 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001306056243 1324696983 /nfs/dbraw/zinc/69/69/83/1324696983.db2.gz OIPFYJJCGZOPNW-SNVBAGLBSA-N 0 0 335.360 2.594 10 5 EFBERN COC(=O)c1ccnc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001306585545 1324714755 /nfs/dbraw/zinc/71/47/55/1324714755.db2.gz LGVJRLQDSWMBOH-ZIAGYGMSSA-N 0 0 341.323 2.519 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(Cl)ccc1O ZINC001306825601 1324722905 /nfs/dbraw/zinc/72/29/05/1324722905.db2.gz DYSBWKLIIUDZLO-UHFFFAOYSA-N 0 0 349.730 2.950 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ncc[nH]1 ZINC001306847749 1324724970 /nfs/dbraw/zinc/72/49/70/1324724970.db2.gz VSJQPNRSNYWRIA-ZETCQYMHSA-N 0 0 328.250 2.828 10 5 EFBERN CN(C)C(=O)Cc1ccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001306933337 1324732531 /nfs/dbraw/zinc/73/25/31/1324732531.db2.gz IQNUNEMBFYSUCU-UHFFFAOYSA-N 0 0 339.355 2.845 10 5 EFBERN CS(=O)(=O)c1cccc(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001306932964 1324732732 /nfs/dbraw/zinc/73/27/32/1324732732.db2.gz SPJUFPGHFNEECL-UHFFFAOYSA-N 0 0 333.325 2.667 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCCn1cccn1 ZINC001306927975 1324732736 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EFBERN CN1C(=O)Cc2cc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc21 ZINC001307232205 1324753814 /nfs/dbraw/zinc/75/38/14/1324753814.db2.gz ZHIJWHODKUAEJY-UHFFFAOYSA-N 0 0 337.339 2.602 10 5 EFBERN O=C(Cc1ccc(Cl)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001307277505 1324755728 /nfs/dbraw/zinc/75/57/28/1324755728.db2.gz TVNJNJWVHKDTJA-UHFFFAOYSA-N 0 0 346.726 2.968 10 5 EFBERN CCOC(=O)c1cc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)on1 ZINC001307300192 1324757410 /nfs/dbraw/zinc/75/74/10/1324757410.db2.gz HHKJXRLHCWDIHM-UHFFFAOYSA-N 0 0 342.311 2.671 10 5 EFBERN O=C(Cn1c(=O)sc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001307303201 1324757998 /nfs/dbraw/zinc/75/79/98/1324757998.db2.gz RWPBCZXMLYKCRL-UHFFFAOYSA-N 0 0 332.312 2.993 10 5 EFBERN Cc1ccc(CSc2nnc(-c3cnccn3)n2C)cc1[N+](=O)[O-] ZINC001307312861 1324758143 /nfs/dbraw/zinc/75/81/43/1324758143.db2.gz YPFCHPWSQDIPCS-UHFFFAOYSA-N 0 0 342.384 2.781 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2ccn(CCc3ccccc3)n2)c1=O ZINC001307319350 1324759250 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COc1cc([N+](=O)[O-])ccc1Cn1ccnc1[C@H](O)c1cccs1 ZINC001307355167 1324762634 /nfs/dbraw/zinc/76/26/34/1324762634.db2.gz WVRBVZYZMFSTNB-OAHLLOKOSA-N 0 0 345.380 2.991 10 5 EFBERN O=[N+]([O-])c1cn(C[C@H]2CCC[C@@]3(CCOC3)O2)nc1-c1ccccn1 ZINC001307371663 1324764222 /nfs/dbraw/zinc/76/42/22/1324764222.db2.gz DWIGHCVQXHBRRL-DYVFJYSZSA-N 0 0 344.371 2.582 10 5 EFBERN CC(=O)c1nn(C(C)C)cc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001307396194 1324766532 /nfs/dbraw/zinc/76/65/32/1324766532.db2.gz BKPMBHKTIUCDLX-UHFFFAOYSA-N 0 0 331.328 2.837 10 5 EFBERN CO[C@H](Cn1nnc(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC001307403617 1324767430 /nfs/dbraw/zinc/76/74/30/1324767430.db2.gz IJDSWTTVHBILAS-OAHLLOKOSA-N 0 0 331.376 2.844 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001307523788 1324770336 /nfs/dbraw/zinc/77/03/36/1324770336.db2.gz PNDUWWFJQCYUBP-RHSMWYFYSA-N 0 0 332.400 2.932 10 5 EFBERN CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC(C)(C)O ZINC001307480463 1324770448 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340.767 2.501 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000753672751 1324791461 /nfs/dbraw/zinc/79/14/61/1324791461.db2.gz OXOQSYHOVGIWHC-AAEUAGOBSA-N 0 0 332.356 2.518 10 5 EFBERN COC(=O)[C@]12C[C@H]1CCCN2Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001308096735 1324792364 /nfs/dbraw/zinc/79/23/64/1324792364.db2.gz SODMOWWKZPJZDA-KDOFPFPSSA-N 0 0 348.399 2.910 10 5 EFBERN Cc1noc(CN2CCc3nc[nH]c3[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001308094313 1324792930 /nfs/dbraw/zinc/79/29/30/1324792930.db2.gz FCHIUWHRUGIUPH-QGZVFWFLSA-N 0 0 339.355 2.762 10 5 EFBERN Cc1noc(CN2CCc3nc[nH]c3[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001308094312 1324792947 /nfs/dbraw/zinc/79/29/47/1324792947.db2.gz FCHIUWHRUGIUPH-KRWDZBQOSA-N 0 0 339.355 2.762 10 5 EFBERN CCN(CCNC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001317473951 1324795748 /nfs/dbraw/zinc/79/57/48/1324795748.db2.gz APZPFNGCMAYTBQ-UHFFFAOYSA-N 0 0 327.384 2.847 10 5 EFBERN CN(Cc1ccn(C)n1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001308149189 1324797120 /nfs/dbraw/zinc/79/71/20/1324797120.db2.gz AODLPHYSZYNPIQ-UHFFFAOYSA-N 0 0 327.344 2.615 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)c2cnc3n2CCOC3)cc1[N+](=O)[O-] ZINC000850883329 1324797138 /nfs/dbraw/zinc/79/71/38/1324797138.db2.gz CYXQVCQSSGDCIB-NSHDSACASA-N 0 0 331.328 2.548 10 5 EFBERN Cc1cccnc1[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001308152467 1324797203 /nfs/dbraw/zinc/79/72/03/1324797203.db2.gz DJDBHQHWCRWWNH-CYBMUJFWSA-N 0 0 328.372 2.612 10 5 EFBERN CC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1F ZINC001309014029 1324852116 /nfs/dbraw/zinc/85/21/16/1324852116.db2.gz ZIJBJUYQZQTYTR-UHFFFAOYSA-N 0 0 339.300 2.704 10 5 EFBERN CC[C@@H](NC(=O)N[C@H]1CCCC12OCCO2)c1cccc([N+](=O)[O-])c1 ZINC001312312951 1324981981 /nfs/dbraw/zinc/98/19/81/1324981981.db2.gz HJMFBOYINCVOMG-CABCVRRESA-N 0 0 349.387 2.641 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N(O)Cc1ccc(F)cc1 ZINC001312426950 1324986231 /nfs/dbraw/zinc/98/62/31/1324986231.db2.gz MYMPGSOIXWVVIE-UHFFFAOYSA-N 0 0 333.319 2.877 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC(Oc2ccccc2)C1 ZINC001312627386 1324989864 /nfs/dbraw/zinc/98/98/64/1324989864.db2.gz UMWMYLPIZDIMSL-UHFFFAOYSA-N 0 0 341.367 2.610 10 5 EFBERN COc1ccc(F)c(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001312627440 1324990447 /nfs/dbraw/zinc/99/04/47/1324990447.db2.gz VMKBODUSSVEEPG-UHFFFAOYSA-N 0 0 347.346 2.784 10 5 EFBERN Cc1ccc(CNC(=O)NCC2(C3(O)CCC3)CCC2)cc1[N+](=O)[O-] ZINC001313156062 1325007208 /nfs/dbraw/zinc/00/72/08/1325007208.db2.gz OJSRSOGKLNNPTH-UHFFFAOYSA-N 0 0 347.415 2.788 10 5 EFBERN C[C@H](NC(=O)N[C@H]1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC001313202069 1325008841 /nfs/dbraw/zinc/00/88/41/1325008841.db2.gz UPRBCUMGNZXYOK-FZMZJTMJSA-N 0 0 329.360 2.687 10 5 EFBERN C[C@H](NC(=O)NCc1cc(C2CC2)nn1C)c1ccccc1[N+](=O)[O-] ZINC001313238335 1325009622 /nfs/dbraw/zinc/00/96/22/1325009622.db2.gz PRCXESYXLUKHNE-NSHDSACASA-N 0 0 343.387 2.766 10 5 EFBERN CC(C)CC[C@H](CO)NC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001313351335 1325012898 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CCCC1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001325063902 1329668771 /nfs/dbraw/zinc/66/87/71/1329668771.db2.gz HPZWQNPKLPDOFN-UHFFFAOYSA-N 0 0 340.445 2.979 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCn3ccnc32)cc1[N+](=O)[O-] ZINC001325281779 1329677909 /nfs/dbraw/zinc/67/79/09/1329677909.db2.gz NTIRJEJHUAVXRE-CYBMUJFWSA-N 0 0 328.372 2.964 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001325454518 1329689450 /nfs/dbraw/zinc/68/94/50/1329689450.db2.gz PDCOPFYIRNNTOH-ZFWWWQNUSA-N 0 0 347.415 2.585 10 5 EFBERN CCOC(=O)C1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC001325758459 1329711316 /nfs/dbraw/zinc/71/13/16/1329711316.db2.gz QXPPNMIUYZPECC-UHFFFAOYSA-N 0 0 345.355 2.682 10 5 EFBERN O=C(COC(=O)[C@H]1CCC[C@H](F)C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001325919085 1329724057 /nfs/dbraw/zinc/72/40/57/1329724057.db2.gz TUQCQFNESHLBLO-UWVGGRQHSA-N 0 0 342.298 2.744 10 5 EFBERN O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nnc([C@H]3CCCO3)o2)C1 ZINC001326123209 1329733895 /nfs/dbraw/zinc/73/38/95/1329733895.db2.gz GEAFYUWRJMAPMA-OLZOCXBDSA-N 0 0 330.300 2.695 10 5 EFBERN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326745387 1330357325 /nfs/dbraw/zinc/35/73/25/1330357325.db2.gz XILWWSYALRTMAN-IRXDYDNUSA-N 0 0 345.399 2.968 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1C ZINC001327088919 1330411806 /nfs/dbraw/zinc/41/18/06/1330411806.db2.gz GJWIVUOPQKPRLR-JGPRNRPPSA-N 0 0 346.355 2.534 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001327137178 1330425923 /nfs/dbraw/zinc/42/59/23/1330425923.db2.gz LZUXMUIKDCEFOO-IACUBPJLSA-N 0 0 332.356 2.821 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001327137177 1330426458 /nfs/dbraw/zinc/42/64/58/1330426458.db2.gz LZUXMUIKDCEFOO-BNOWGMLFSA-N 0 0 332.356 2.821 10 5 EFBERN CC1(C)[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1(F)F ZINC001327588687 1330498937 /nfs/dbraw/zinc/49/89/37/1330498937.db2.gz RBNRSGGRSPKEEJ-CYBMUJFWSA-N 0 0 339.342 2.954 10 5 EFBERN O=[N+]([O-])c1nn(CN2CCC[C@H](CCF)C2)cc1Br ZINC001327699068 1330510178 /nfs/dbraw/zinc/51/01/78/1330510178.db2.gz MTUNUFNFPNWRLU-SECBINFHSA-N 0 0 335.177 2.583 10 5 EFBERN O=C(Nc1ccc(C2CCC2)cn1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001328051478 1330546909 /nfs/dbraw/zinc/54/69/09/1330546909.db2.gz QMBTUBKQFDAKDS-MRXNPFEDSA-N 0 0 327.340 2.929 10 5 EFBERN Cn1nc(C2CC2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001328140959 1330562368 /nfs/dbraw/zinc/56/23/68/1330562368.db2.gz SYOMVJBHEWVCQW-UHFFFAOYSA-N 0 0 329.360 2.570 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328264779 1330577556 /nfs/dbraw/zinc/57/75/56/1330577556.db2.gz UUXLTCBQPHPSHL-RYUDHWBXSA-N 0 0 335.404 2.713 10 5 EFBERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328264780 1330577623 /nfs/dbraw/zinc/57/76/23/1330577623.db2.gz UUXLTCBQPHPSHL-VXGBXAGGSA-N 0 0 335.404 2.713 10 5 EFBERN Cc1ccn([C@H](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001328545260 1330601169 /nfs/dbraw/zinc/60/11/69/1330601169.db2.gz LTUVSOIUCMDSOL-CYBMUJFWSA-N 0 0 328.372 2.636 10 5 EFBERN COC(=O)c1cc(C)nc(N(C)[C@H]2CC[C@H](SC)C2)c1[N+](=O)[O-] ZINC001328564924 1330602995 /nfs/dbraw/zinc/60/29/95/1330602995.db2.gz JRYDBZMZSBFELN-QWRGUYRKSA-N 0 0 339.417 2.805 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC001328656851 1330612715 /nfs/dbraw/zinc/61/27/15/1330612715.db2.gz VFLZESMBQRMLPM-GWCFXTLKSA-N 0 0 339.319 2.953 10 5 EFBERN Cc1nc(N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)ncc1[N+](=O)[O-] ZINC001328678074 1330614882 /nfs/dbraw/zinc/61/48/82/1330614882.db2.gz DKMLNSDLIGGXBH-INIZCTEOSA-N 0 0 348.790 2.835 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328778760 1330630371 /nfs/dbraw/zinc/63/03/71/1330630371.db2.gz VVOCMNLBTLFHBN-FXAINCCUSA-N 0 0 326.299 2.767 10 5 EFBERN O=C(NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001328809120 1330635899 /nfs/dbraw/zinc/63/58/99/1330635899.db2.gz ACKBDMGEEKYKCD-UHFFFAOYSA-N 0 0 348.309 2.698 10 5 EFBERN O=C(NCC[C@@H]1CC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328907810 1330645516 /nfs/dbraw/zinc/64/55/16/1330645516.db2.gz XUCDMVSTSIWQIG-GFCCVEGCSA-N 0 0 325.315 2.708 10 5 EFBERN COc1ccc(CCNC(=O)c2cccc(SC)c2[N+](=O)[O-])cn1 ZINC001329182570 1330677508 /nfs/dbraw/zinc/67/75/08/1330677508.db2.gz CLTVAAQDHYKHTB-UHFFFAOYSA-N 0 0 347.396 2.693 10 5 EFBERN COc1ccc(CCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)cn1 ZINC001329208947 1330681000 /nfs/dbraw/zinc/68/10/00/1330681000.db2.gz RRCUFZWGEDMWFZ-UHFFFAOYSA-N 0 0 332.360 2.835 10 5 EFBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3c2c(C)cncc2[N+](=O)[O-])no1 ZINC001329299458 1330691538 /nfs/dbraw/zinc/69/15/38/1330691538.db2.gz RFRZYNSLVBBWCG-YHWZYXNKSA-N 0 0 329.360 2.905 10 5 EFBERN C[C@@H]1CCn2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)nc2C1 ZINC001329306204 1330692816 /nfs/dbraw/zinc/69/28/16/1330692816.db2.gz GXAXXWPXEWRJMC-GFCCVEGCSA-N 0 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EFBERN CCCc1[nH]nc(C(=O)OC[C@@H](OC)C2CCCC2)c1[N+](=O)[O-] ZINC001333229272 1331096551 /nfs/dbraw/zinc/09/65/51/1331096551.db2.gz USDMYBZZBDUCLW-GFCCVEGCSA-N 0 0 325.365 2.632 10 5 EFBERN O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c(Br)c1 ZINC001333613781 1331181774 /nfs/dbraw/zinc/18/17/74/1331181774.db2.gz AEYOUFUDEMROLM-STQMWFEESA-N 0 0 341.205 2.750 10 5 EFBERN COC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC001334087242 1331247192 /nfs/dbraw/zinc/24/71/92/1331247192.db2.gz YYTMFXSBHBPNJO-UHFFFAOYSA-N 0 0 335.316 2.688 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC001335755746 1331398838 /nfs/dbraw/zinc/39/88/38/1331398838.db2.gz PKEZAROMKYXTPU-RGNHYFCHSA-N 0 0 330.743 2.612 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC001335755745 1331398887 /nfs/dbraw/zinc/39/88/87/1331398887.db2.gz PKEZAROMKYXTPU-LWINAJNOSA-N 0 0 330.743 2.612 10 5 EFBERN C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCC1=O ZINC001335821206 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2.665 10 5 EFBERN CO[C@]12CCC[C@@]1(COC(=O)Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC001344314311 1332440575 /nfs/dbraw/zinc/44/05/75/1332440575.db2.gz DTFJFMKFPWVZKH-ROUUACIJSA-N 0 0 349.383 2.922 10 5 EFBERN CNC(=O)C[C@H](OC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC001344328722 1332442098 /nfs/dbraw/zinc/44/20/98/1332442098.db2.gz KVBMMSQDORYLQF-ZDUSSCGKSA-N 0 0 348.380 2.999 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001344401893 1332449505 /nfs/dbraw/zinc/44/95/05/1332449505.db2.gz FVVUVQWQESUWKC-MRXNPFEDSA-N 0 0 342.351 2.896 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cc(OCc2ccccc2)ccn1 ZINC001344403386 1332450118 /nfs/dbraw/zinc/45/01/18/1332450118.db2.gz NSUKWAMEZLSKLM-AWEZNQCLSA-N 0 0 330.340 2.873 10 5 EFBERN COc1ccc(NC(=O)N2CCO[C@](C)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001344512082 1332460531 /nfs/dbraw/zinc/46/05/31/1332460531.db2.gz MLSWKPZIAGENQG-INIZCTEOSA-N 0 0 335.360 2.636 10 5 EFBERN COc1cc(C(=O)OC[C@@]23CCC[C@@H]2OCC3)c([N+](=O)[O-])cc1F 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C=Cc1ccccc1CCOC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC001346000072 1332591216 /nfs/dbraw/zinc/59/12/16/1332591216.db2.gz NSTOYPQSVOXONU-UHFFFAOYSA-N 0 0 329.356 2.919 10 5 EFBERN C[C@@H](c1nnc(N2CCC[C@@H](CCF)C2)n1CC1CC1)[N+](=O)[O-] ZINC001346079252 1332597181 /nfs/dbraw/zinc/59/71/81/1332597181.db2.gz JIXJJPCVSNOZRM-RYUDHWBXSA-N 0 0 325.388 2.602 10 5 EFBERN CC(C)n1ncc2c1[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)CCC2 ZINC001346094794 1332598590 /nfs/dbraw/zinc/59/85/90/1332598590.db2.gz SACNJTZAEXGUQF-HNNXBMFYSA-N 0 0 345.403 2.936 10 5 EFBERN C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001346106639 1332599512 /nfs/dbraw/zinc/59/95/12/1332599512.db2.gz NRGCVDFKOXOTAY-LERXQTSPSA-N 0 0 335.356 2.972 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1[S@@](=O)C(F)(F)F ZINC001346197035 1332610439 /nfs/dbraw/zinc/61/04/39/1332610439.db2.gz JLHGPGSBSNIPEG-QSIZCVBASA-N 0 0 339.291 2.526 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cc(F)cc(Br)c1F ZINC001346198184 1332610674 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LWPNQYJMNFURSX-YWEHWRMNSA-N 0 0 345.351 2.739 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001346700481 1332675319 /nfs/dbraw/zinc/67/53/19/1332675319.db2.gz AGXRKBAOTHLRSA-JLLWLGSASA-N 0 0 346.355 2.615 10 5 EFBERN O=C(OCCO[C@H]1CC1(F)F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001346753180 1332682995 /nfs/dbraw/zinc/68/29/95/1332682995.db2.gz ZCHXPQSMJBJXCP-NSHDSACASA-N 0 0 326.255 2.657 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3C[C@H]4CCC[C@@H](C3)C4O)c2c1 ZINC001347219799 1332725100 /nfs/dbraw/zinc/72/51/00/1332725100.db2.gz RLZDYYIRVWYNBV-WYPFBEBGSA-N 0 0 348.790 2.789 10 5 EFBERN C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H](C)[C@H]1O ZINC001347270005 1332730066 /nfs/dbraw/zinc/73/00/66/1332730066.db2.gz MABDEALUTUZNHT-QRJZZWFUSA-N 0 0 336.779 2.645 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)Cc1ccc(Br)c(F)c1 ZINC001347431307 1332744239 /nfs/dbraw/zinc/74/42/39/1332744239.db2.gz XGFALRQXYNJHDF-VIFPVBQESA-N 0 0 334.141 2.729 10 5 EFBERN CCc1ccc(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001347391995 1332739656 /nfs/dbraw/zinc/73/96/56/1332739656.db2.gz PGSQHWOEOIYCHZ-INIZCTEOSA-N 0 0 348.399 2.567 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001347430222 1332744264 /nfs/dbraw/zinc/74/42/64/1332744264.db2.gz KGGUXRJXSNZDQE-CQSZACIVSA-N 0 0 336.388 2.561 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC001347429052 1332744508 /nfs/dbraw/zinc/74/45/08/1332744508.db2.gz BDGGEGCMPYDKBU-MFKMUULPSA-N 0 0 340.401 2.724 10 5 EFBERN CN(CCCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)CC(F)F ZINC001347459064 1332747299 /nfs/dbraw/zinc/74/72/99/1332747299.db2.gz BERJVXYKTLNEGV-UHFFFAOYSA-N 0 0 341.314 2.820 10 5 EFBERN Cc1c(CC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC001347540841 1332754216 /nfs/dbraw/zinc/75/42/16/1332754216.db2.gz UAHBLUKKDZNHIY-SJLPKXTDSA-N 0 0 332.400 2.863 10 5 EFBERN COCC[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC001347562195 1332756243 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COc1ccccc1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001347742501 1332770421 /nfs/dbraw/zinc/77/04/21/1332770421.db2.gz JZIDZEAIBYLLCB-UHFFFAOYSA-N 0 0 332.331 2.644 10 5 EFBERN O=C(N[C@H]1CCCc2c(F)cccc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347897671 1332782843 /nfs/dbraw/zinc/78/28/43/1332782843.db2.gz OQASMRCWTLNHQU-DLBZAZTESA-N 0 0 344.342 2.961 10 5 EFBERN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001347927348 1332785864 /nfs/dbraw/zinc/78/58/64/1332785864.db2.gz AFVREDJJLOCBNI-HONMWMINSA-N 0 0 343.364 2.882 10 5 EFBERN C[C@@H]1c2sccc2CCN1c1nnc(C[N+](=O)[O-])n1CC1CC1 ZINC001348145996 1332803756 /nfs/dbraw/zinc/80/37/56/1332803756.db2.gz SVIRXBOATCNELD-SNVBAGLBSA-N 0 0 333.417 2.650 10 5 EFBERN C[C@H](c1nnc(N2CC3(CCCC3)OC[C@@H]2C)n1CC1CC1)[N+](=O)[O-] ZINC001348154300 1332805039 /nfs/dbraw/zinc/80/50/39/1332805039.db2.gz PNDNMGLGLAMHNY-QWHCGFSZSA-N 0 0 349.435 2.564 10 5 EFBERN CC(C)C1(O)CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001348243179 1332816015 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EFBERN CNc1ccc(C(=O)N2CCO[C@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001348759880 1332867643 /nfs/dbraw/zinc/86/76/43/1332867643.db2.gz UWKIAUQAVNSPGA-HNNXBMFYSA-N 0 0 335.404 2.914 10 5 EFBERN O=C(OCCC[N+](=O)[O-])[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC001348784612 1332870320 /nfs/dbraw/zinc/87/03/20/1332870320.db2.gz ANEPEWDMCFDDAH-YNEHKIRRSA-N 0 0 340.173 2.545 10 5 EFBERN COC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001348980616 1332891703 /nfs/dbraw/zinc/89/17/03/1332891703.db2.gz ZHTJFACXPQPUSB-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccn(CC(F)(F)F)n1 ZINC001349030273 1332897422 /nfs/dbraw/zinc/89/74/22/1332897422.db2.gz UIPOIDBYZMQYAD-UHFFFAOYSA-N 0 0 345.233 2.581 10 5 EFBERN O=C(NCc1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001349174610 1332915265 /nfs/dbraw/zinc/91/52/65/1332915265.db2.gz CSOYREQTRCJQQI-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN O=C(NCc1cnn2c1CCCC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349493715 1332960902 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EFBERN CNC(=O)c1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c(C)c1 ZINC001350437308 1333082358 /nfs/dbraw/zinc/08/23/58/1333082358.db2.gz ZAXINWUJGXJMAJ-UHFFFAOYSA-N 0 0 345.330 2.963 10 5 EFBERN COC(=O)c1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC001350445484 1333083474 /nfs/dbraw/zinc/08/34/74/1333083474.db2.gz ZTTNTHDKHKCNOR-YVMONPNESA-N 0 0 346.295 2.635 10 5 EFBERN C[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1CC1)[N+](=O)[O-] ZINC001350518423 1333092230 /nfs/dbraw/zinc/09/22/30/1333092230.db2.gz NZSOWDNRIJUXOC-ONGXEEELSA-N 0 0 347.341 2.805 10 5 EFBERN O=C(Nc1cccc(N2CCNC2=O)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001350519874 1333092447 /nfs/dbraw/zinc/09/24/47/1333092447.db2.gz FLRXNCVZDBXMFK-UHFFFAOYSA-N 0 0 344.302 2.516 10 5 EFBERN O=C(Nc1c(F)cccc1F)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001350581928 1333099545 /nfs/dbraw/zinc/09/95/45/1333099545.db2.gz DREIXPBEMZTYOI-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN COc1ncccc1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001350626354 1333104554 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2.615 10 5 EFBERN COC(=O)c1ccc(/C=C\C(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001351177061 1333190039 /nfs/dbraw/zinc/19/00/39/1333190039.db2.gz KXQKQMLUOIWKBG-NTMALXAHSA-N 0 0 330.296 2.651 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cccc2c1OCO2 ZINC001351284379 1333205965 /nfs/dbraw/zinc/20/59/65/1333205965.db2.gz ZRQAJRZWGPEMDF-UHFFFAOYSA-N 0 0 328.324 2.870 10 5 EFBERN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2F)COc2ccccc2O1 ZINC001351313115 1333209760 /nfs/dbraw/zinc/20/97/60/1333209760.db2.gz VSNXZHYRFPSDSC-MRXNPFEDSA-N 0 0 332.287 2.903 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2cccc(C(N)=O)c2)ccc1[N+](=O)[O-] ZINC001351366851 1333218815 /nfs/dbraw/zinc/21/88/15/1333218815.db2.gz UVDFQGSAXXZCCG-UHFFFAOYSA-N 0 0 343.339 2.733 10 5 EFBERN Cc1cnc(Cl)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC001351380987 1333221510 /nfs/dbraw/zinc/22/15/10/1333221510.db2.gz QJEAKPRPZRJBOM-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn1 ZINC001351639864 1333261834 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EFBERN CC(C)n1cc(OC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000847135183 1333346669 /nfs/dbraw/zinc/34/66/69/1333346669.db2.gz RSAOFUVCBMEZDC-UHFFFAOYSA-N 0 0 325.271 2.799 10 5 EFBERN Cc1sc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000847137185 1333347265 /nfs/dbraw/zinc/34/72/65/1333347265.db2.gz CVKORIHUHKUJRT-JTQLQIEISA-N 0 0 348.380 2.826 10 5 EFBERN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000847146655 1333355186 /nfs/dbraw/zinc/35/51/86/1333355186.db2.gz BBNCGHMDAUZIPR-LSDHHAIUSA-N 0 0 340.326 2.951 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001352035106 1333360657 /nfs/dbraw/zinc/36/06/57/1333360657.db2.gz NUPWULUBSUWNKE-HKUYNNGSSA-N 0 0 340.379 2.862 10 5 EFBERN COc1ccc(F)c(OC)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001352183926 1333417481 /nfs/dbraw/zinc/41/74/81/1333417481.db2.gz VVRLUGVLNAXNTM-UHFFFAOYSA-N 0 0 346.314 2.954 10 5 EFBERN COc1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC001352246028 1333438548 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340.339 2.738 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc3c(c2)OCO3)CC1 ZINC001352702091 1333672967 /nfs/dbraw/zinc/67/29/67/1333672967.db2.gz CVZKYAUYPBNOBO-UHFFFAOYSA-N 0 0 326.308 2.994 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(Cn3ccnn3)cc2)cc1[N+](=O)[O-] ZINC001352703428 1333674112 /nfs/dbraw/zinc/67/41/12/1333674112.db2.gz KTVJMOILPPREHK-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN CNc1nccc(C(=O)Nc2ccnn2C2CCCCC2)c1[N+](=O)[O-] ZINC000847429459 1333702775 /nfs/dbraw/zinc/70/27/75/1333702775.db2.gz NAMOMUNQEHNNGY-UHFFFAOYSA-N 0 0 344.375 2.986 10 5 EFBERN Cn1ccc2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc21 ZINC001352883893 1333783770 /nfs/dbraw/zinc/78/37/70/1333783770.db2.gz YMCAUVHIDCNXFP-UHFFFAOYSA-N 0 0 339.351 2.895 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)OCc1ccccc1 ZINC001300144300 1333798532 /nfs/dbraw/zinc/79/85/32/1333798532.db2.gz BAAUEUPXESWZMH-CYBMUJFWSA-N 0 0 342.351 2.765 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1conc1C ZINC001300165712 1333839932 /nfs/dbraw/zinc/83/99/32/1333839932.db2.gz FHUOLPHLGDWJFS-UHFFFAOYSA-N 0 0 338.707 2.755 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2cnn3c2CCCC3)c1[N+](=O)[O-] ZINC001353085165 1333916380 /nfs/dbraw/zinc/91/63/80/1333916380.db2.gz ICUGVJQOKBYTQW-UHFFFAOYSA-N 0 0 332.335 2.505 10 5 EFBERN COC(=O)c1ccc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC001353090605 1333918951 /nfs/dbraw/zinc/91/89/51/1333918951.db2.gz HHUWNPBQIDMEFU-UHFFFAOYSA-N 0 0 343.339 2.574 10 5 EFBERN CN(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C1CCCCCC1 ZINC001353161323 1333976119 /nfs/dbraw/zinc/97/61/19/1333976119.db2.gz GKKRFRZCJNZNBP-UHFFFAOYSA-N 0 0 343.387 2.970 10 5 EFBERN Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cccc1C(N)=O ZINC001353222260 1334026155 /nfs/dbraw/zinc/02/61/55/1334026155.db2.gz KRSHPUCUZNJYKE-CABCVRRESA-N 0 0 339.351 2.744 10 5 EFBERN CN(C)c1cc(F)cc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC001300246106 1334057692 /nfs/dbraw/zinc/05/76/92/1334057692.db2.gz HOUGZQWMCBVHLF-UHFFFAOYSA-N 0 0 332.335 2.851 10 5 EFBERN COc1ccnc(OC)c1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001353338693 1334092685 /nfs/dbraw/zinc/09/26/85/1334092685.db2.gz SBYBFQUATSODEV-UHFFFAOYSA-N 0 0 339.254 2.538 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001353437430 1334096696 /nfs/dbraw/zinc/09/66/96/1334096696.db2.gz PPFVUESFPKPQLQ-XLNGHYISSA-N 0 0 330.384 2.726 10 5 EFBERN C[C@@H](C(=O)Oc1cccc([N+](=O)[O-])c1)n1ccc(C(F)(F)F)n1 ZINC001354147109 1334135823 /nfs/dbraw/zinc/13/58/23/1334135823.db2.gz OIKHGJKEJSRNJG-QMMMGPOBSA-N 0 0 329.234 2.977 10 5 EFBERN C[C@H]1CCC[C@H](N(C)C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001354265300 1334201949 /nfs/dbraw/zinc/20/19/49/1334201949.db2.gz QUEOTNGOGNVYFP-JSGCOSHPSA-N 0 0 343.387 2.826 10 5 EFBERN O=C(Nc1nc2ccc(F)cn2n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354328051 1334234547 /nfs/dbraw/zinc/23/45/47/1334234547.db2.gz NTZSPBANJLGOPJ-QWHCGFSZSA-N 0 0 341.302 2.519 10 5 EFBERN O=C(Nc1nc2ccc(F)cn2n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354328072 1334234655 /nfs/dbraw/zinc/23/46/55/1334234655.db2.gz NTZSPBANJLGOPJ-STQMWFEESA-N 0 0 341.302 2.519 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2S(C)(=O)=O)c1C ZINC001354407988 1334283781 /nfs/dbraw/zinc/28/37/81/1334283781.db2.gz KYQMSFGRWHOSDR-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ncon1 ZINC000848113326 1334313567 /nfs/dbraw/zinc/31/35/67/1334313567.db2.gz IJCHGAGWPSMMAG-CFRMROPGSA-N 0 0 328.328 2.745 10 5 EFBERN C/C(=C\C(=O)N[C@@]1(C)CC(C)(C)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000848148247 1334366731 /nfs/dbraw/zinc/36/67/31/1334366731.db2.gz OMSVRJLGNCLKKD-KAMXEHQASA-N 0 0 332.356 2.599 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C)CC(C)(C)OC1=O ZINC000848148194 1334366854 /nfs/dbraw/zinc/36/68/54/1334366854.db2.gz NYYAAOKBONPUMG-QXLXQBSBSA-N 0 0 332.356 2.599 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCC3(CCO)CCCC3)c2c1 ZINC001472706593 1334372841 /nfs/dbraw/zinc/37/28/41/1334372841.db2.gz MYTQRSAGTKOJJA-UHFFFAOYSA-N 0 0 345.399 2.928 10 5 EFBERN Cc1ccc(O[C@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001472708015 1334377931 /nfs/dbraw/zinc/37/79/31/1334377931.db2.gz JCJJYNALGYJMSO-GFCCVEGCSA-N 0 0 329.356 2.882 10 5 EFBERN Cc1cnn(-c2ccc(Oc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2)c1 ZINC001472760651 1334409021 /nfs/dbraw/zinc/40/90/21/1334409021.db2.gz YYPGDJWBNUYTIB-UHFFFAOYSA-N 0 0 338.323 2.980 10 5 EFBERN C/C(=C/C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cnccn1 ZINC001354627962 1334423201 /nfs/dbraw/zinc/42/32/01/1334423201.db2.gz IWAYIRNRBNDBIO-FSBNRTBOSA-N 0 0 326.356 2.974 10 5 EFBERN Cc1ccnc([C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)c1 ZINC000848196053 1334432920 /nfs/dbraw/zinc/43/29/20/1334432920.db2.gz HKZLVIBLAKDJDF-ZDUSSCGKSA-N 0 0 326.356 2.510 10 5 EFBERN COC(=O)c1cc(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)ccn1 ZINC001472843564 1334518313 /nfs/dbraw/zinc/51/83/13/1334518313.db2.gz XNSCQADJEIFKSN-UHFFFAOYSA-N 0 0 346.343 2.571 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001300724986 1334531798 /nfs/dbraw/zinc/53/17/98/1334531798.db2.gz VGIDJZWCKNYUMV-UHFFFAOYSA-N 0 0 329.143 2.565 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC001355008041 1334648238 /nfs/dbraw/zinc/64/82/38/1334648238.db2.gz JGQFJIBFVWPCPH-UHFFFAOYSA-N 0 0 335.266 2.533 10 5 EFBERN Cc1cc(C(=O)Nc2cnc3c(C)cccn23)c(N)c([N+](=O)[O-])c1 ZINC001300784745 1334660422 /nfs/dbraw/zinc/66/04/22/1334660422.db2.gz KBWPVTWBWFFKRN-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1nc2c(o1)CCCC2 ZINC001472940362 1334677002 /nfs/dbraw/zinc/67/70/02/1334677002.db2.gz FBJVXXFEKVOLLX-UHFFFAOYSA-N 0 0 336.369 2.744 10 5 EFBERN Cc1nc(NC(=O)c2ccc(-c3cnn(C)c3)cc2)ccc1[N+](=O)[O-] ZINC001355098534 1334698446 /nfs/dbraw/zinc/69/84/46/1334698446.db2.gz AAXBWDXKUDBCJQ-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)c2cc(CN(C)C)on2)cc1[N+](=O)[O-] ZINC001355111834 1334700774 /nfs/dbraw/zinc/70/07/74/1334700774.db2.gz NKKFRRJUATUPKC-NSHDSACASA-N 0 0 333.344 2.871 10 5 EFBERN COc1cccc(CCNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001355226003 1334721218 /nfs/dbraw/zinc/72/12/18/1334721218.db2.gz WASLGKUQCRFIOR-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1coc2c1C(=O)NCCC2 ZINC001355280547 1334729279 /nfs/dbraw/zinc/72/92/79/1334729279.db2.gz MTIKZIQZGLOFBL-UHFFFAOYSA-N 0 0 343.339 2.733 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc3c2OCO3)c1C ZINC001355316663 1334737699 /nfs/dbraw/zinc/73/76/99/1334737699.db2.gz WKSCFOKSCIHVKM-UHFFFAOYSA-N 0 0 328.324 2.870 10 5 EFBERN O=C(COc1ccc(F)c(F)c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001355315387 1334737923 /nfs/dbraw/zinc/73/79/23/1334737923.db2.gz BVQXGXBBCADVBH-UHFFFAOYSA-N 0 0 336.294 2.611 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H](OC(F)F)C2)c1 ZINC000848487192 1334743184 /nfs/dbraw/zinc/74/31/84/1334743184.db2.gz PEURGYKDMBNRAL-LBPRGKRZSA-N 0 0 338.314 2.729 10 5 EFBERN CCN(CCSC)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489032 1334745659 /nfs/dbraw/zinc/74/56/59/1334745659.db2.gz INUYCMNERZDULA-OAHLLOKOSA-N 0 0 337.445 2.553 10 5 EFBERN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCCC(F)(F)C1 ZINC000848489963 1334746577 /nfs/dbraw/zinc/74/65/77/1334746577.db2.gz UCIKOUGXOSUQGF-CQSZACIVSA-N 0 0 339.342 2.599 10 5 EFBERN C[C@]1(F)CCCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490565 1334746971 /nfs/dbraw/zinc/74/69/71/1334746971.db2.gz PKFXEBFGNLIQBH-RDJZCZTQSA-N 0 0 335.379 2.692 10 5 EFBERN O=[N+]([O-])c1ccnn1CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000848495591 1334752485 /nfs/dbraw/zinc/75/24/85/1334752485.db2.gz LOCWWHLGDUXTBI-UHFFFAOYSA-N 0 0 338.371 2.572 10 5 EFBERN Cc1nn(CN(C)Cc2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-] ZINC000848503100 1334761144 /nfs/dbraw/zinc/76/11/44/1334761144.db2.gz XFRZCLDQOZEXNA-UHFFFAOYSA-N 0 0 340.286 2.511 10 5 EFBERN COc1ccc(CNC(=O)/C(C)=C\c2cccnc2)cc1[N+](=O)[O-] ZINC001355466020 1334789654 /nfs/dbraw/zinc/78/96/54/1334789654.db2.gz CAQSTQTVPNSPDX-WQLSENKSSA-N 0 0 327.340 2.718 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001355471351 1334790973 /nfs/dbraw/zinc/79/09/73/1334790973.db2.gz YDZCZRKLXMXYER-AWEZNQCLSA-N 0 0 343.314 2.937 10 5 EFBERN C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2F)COc2ccccc2O1 ZINC001355470471 1334791158 /nfs/dbraw/zinc/79/11/58/1334791158.db2.gz PFKMQJCPXVXQBC-INIZCTEOSA-N 0 0 332.287 2.903 10 5 EFBERN C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2F)COc2ccccc2O1 ZINC001355470473 1334791506 /nfs/dbraw/zinc/79/15/06/1334791506.db2.gz PFKMQJCPXVXQBC-MRXNPFEDSA-N 0 0 332.287 2.903 10 5 EFBERN Cc1cc(C(F)F)n(CC(=O)Oc2cc([N+](=O)[O-])ccc2C)n1 ZINC001355473553 1334791836 /nfs/dbraw/zinc/79/18/36/1334791836.db2.gz PFCWOTSVCMECDT-UHFFFAOYSA-N 0 0 325.271 2.951 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000848587504 1334806983 /nfs/dbraw/zinc/80/69/83/1334806983.db2.gz WWOZSSQBBLWFFG-JGPRNRPPSA-N 0 0 344.314 2.639 10 5 EFBERN CC1(C)C[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCO1 ZINC000848585258 1334807054 /nfs/dbraw/zinc/80/70/54/1334807054.db2.gz IUHWIMIISMYSIM-JTQLQIEISA-N 0 0 344.314 2.640 10 5 EFBERN COC1(C)CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848587493 1334807139 /nfs/dbraw/zinc/80/71/39/1334807139.db2.gz WOMIGEOCHDGNCS-UHFFFAOYSA-N 0 0 344.314 2.594 10 5 EFBERN O=C(N1CCc2ncccc2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585757 1334807148 /nfs/dbraw/zinc/80/71/48/1334807148.db2.gz ORQNNCLSIOXLNT-UHFFFAOYSA-N 0 0 349.293 2.546 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCO1 ZINC000848593676 1334809035 /nfs/dbraw/zinc/80/90/35/1334809035.db2.gz QQNXWXIQUCEWNS-ZYHUDNBSSA-N 0 0 344.314 2.640 10 5 EFBERN O=C(N1CC[C@]2(CC2(F)F)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848593681 1334809200 /nfs/dbraw/zinc/80/92/00/1334809200.db2.gz QQYCDQYEZCMCLY-LBPRGKRZSA-N 0 0 348.252 2.824 10 5 EFBERN COCCOc1ccccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001355531695 1334809960 /nfs/dbraw/zinc/80/99/60/1334809960.db2.gz FEIXUOYVECPYSQ-UHFFFAOYSA-N 0 0 348.330 2.940 10 5 EFBERN O=C(NCc1cccc(F)c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001355579087 1334819853 /nfs/dbraw/zinc/81/98/53/1334819853.db2.gz MFYJDTOLSZWISN-UHFFFAOYSA-N 0 0 346.314 2.825 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NC[C@@H](O)COc1cccc(C)c1 ZINC000848659541 1334828623 /nfs/dbraw/zinc/82/86/23/1334828623.db2.gz ZHNZIXOMNVCRLC-CYBMUJFWSA-N 0 0 332.356 2.764 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000848667813 1334832482 /nfs/dbraw/zinc/83/24/82/1334832482.db2.gz OOHVOFIWPIPJCT-AWEZNQCLSA-N 0 0 336.388 2.768 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000848674889 1334835875 /nfs/dbraw/zinc/83/58/75/1334835875.db2.gz KUERHPOBFAJULF-UHFFFAOYSA-N 0 0 337.376 2.882 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000848693762 1334845202 /nfs/dbraw/zinc/84/52/02/1334845202.db2.gz OQPVMPHLNWOHLB-SNVBAGLBSA-N 0 0 325.365 2.929 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(N[C@H](C3CC3)[C@@H]3CCCCO3)cc2N1 ZINC000848745878 1334872261 /nfs/dbraw/zinc/87/22/61/1334872261.db2.gz YJURIGQMYIAWET-WMLDXEAASA-N 0 0 347.371 2.685 10 5 EFBERN CNc1nccc(C(=O)OCc2cc(C(C)(C)C)on2)c1[N+](=O)[O-] ZINC000848789783 1334899425 /nfs/dbraw/zinc/89/94/25/1334899425.db2.gz FODHMKPLYNAGRV-UHFFFAOYSA-N 0 0 334.332 2.674 10 5 EFBERN O=C1O[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000848789942 1334899935 /nfs/dbraw/zinc/89/99/35/1334899935.db2.gz DYALLDVXGLGIIK-NSHDSACASA-N 0 0 328.328 2.538 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)OC2(CCCCC2)C1 ZINC000848790951 1334900427 /nfs/dbraw/zinc/90/04/27/1334900427.db2.gz IPWPGSSFGYAMGP-ZDUSSCGKSA-N 0 0 347.415 2.882 10 5 EFBERN O=C1O[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)CN1C1CC1 ZINC000848791239 1334900535 /nfs/dbraw/zinc/90/05/35/1334900535.db2.gz OVVZIWKAJUDAAU-ZDUSSCGKSA-N 0 0 328.328 2.538 10 5 EFBERN O=C1O[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)CN1C1CC1 ZINC000848794534 1334901882 /nfs/dbraw/zinc/90/18/82/1334901882.db2.gz VCUCRXHMMIVQPK-CYBMUJFWSA-N 0 0 328.328 2.538 10 5 EFBERN Cc1cc(NC[C@H]2CN(C3CC3)C(=O)O2)c2cccc([N+](=O)[O-])c2n1 ZINC000848793822 1334902749 /nfs/dbraw/zinc/90/27/49/1334902749.db2.gz NIWBAVHWZXLLCD-LBPRGKRZSA-N 0 0 342.355 2.847 10 5 EFBERN CC(C)(C)n1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000848808439 1334912099 /nfs/dbraw/zinc/91/20/99/1334912099.db2.gz CVRKTPRNEGDGHD-UHFFFAOYSA-N 0 0 331.328 2.586 10 5 EFBERN NC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001355955946 1334917135 /nfs/dbraw/zinc/91/71/35/1334917135.db2.gz GKAUPOSIKDVORG-UHFFFAOYSA-N 0 0 347.758 2.918 10 5 EFBERN Cc1cc(Cl)c(C(=O)Nc2cc(C)c(=O)n(C)c2)cc1[N+](=O)[O-] ZINC001356017855 1334932421 /nfs/dbraw/zinc/93/24/21/1334932421.db2.gz BWFWNWNMRXKHKE-UHFFFAOYSA-N 0 0 335.747 2.816 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cccnc1C(F)(F)F ZINC001473004150 1334938918 /nfs/dbraw/zinc/93/89/18/1334938918.db2.gz XCWGUWLISUEFFF-UHFFFAOYSA-N 0 0 333.653 2.872 10 5 EFBERN O=C(c1ncc2c(F)cccn21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001356244891 1335000832 /nfs/dbraw/zinc/00/08/32/1335000832.db2.gz RWNNZDXFJMSSSO-UHFFFAOYSA-N 0 0 326.287 2.585 10 5 EFBERN CN(C(=O)c1cnc(-c2ccccn2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001356275440 1335008469 /nfs/dbraw/zinc/00/84/69/1335008469.db2.gz BKVVGMAEKPKKMZ-UHFFFAOYSA-N 0 0 335.323 2.723 10 5 EFBERN Nc1nc(SCc2cc(-c3ccccc3)on2)ncc1[N+](=O)[O-] ZINC001473034113 1335038765 /nfs/dbraw/zinc/03/87/65/1335038765.db2.gz RGTQMSDRPSSPIB-UHFFFAOYSA-N 0 0 329.341 2.914 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)C(=O)NC2 ZINC001356558099 1335053020 /nfs/dbraw/zinc/05/30/20/1335053020.db2.gz LRYCMXYEIBERPL-UHFFFAOYSA-N 0 0 343.314 2.549 10 5 EFBERN CCCn1c(C)nnc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001473100007 1335177080 /nfs/dbraw/zinc/17/70/80/1335177080.db2.gz NASLKWQVQRVWNX-UHFFFAOYSA-N 0 0 326.360 2.817 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1cccc(F)c1 ZINC001357147531 1335286505 /nfs/dbraw/zinc/28/65/05/1335286505.db2.gz MBQBRWLXDAHPEC-UHFFFAOYSA-N 0 0 345.330 2.719 10 5 EFBERN C[C@]1(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC001357155040 1335286763 /nfs/dbraw/zinc/28/67/63/1335286763.db2.gz WPLLYMMHLYFAAO-MRXNPFEDSA-N 0 0 333.271 2.869 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOc2c(F)cccc21 ZINC001357199604 1335290926 /nfs/dbraw/zinc/29/09/26/1335290926.db2.gz MPXQGTAPZCCVFL-HNNXBMFYSA-N 0 0 344.342 2.959 10 5 EFBERN Cc1noc([C@@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001357233919 1335293334 /nfs/dbraw/zinc/29/33/34/1335293334.db2.gz AMMFYUFSQYZDIT-MRVPVSSYSA-N 0 0 338.751 2.750 10 5 EFBERN COC(=O)c1cc(C)cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001357236613 1335293726 /nfs/dbraw/zinc/29/37/26/1335293726.db2.gz BLPXOFYPZBJYRV-UHFFFAOYSA-N 0 0 340.335 2.893 10 5 EFBERN COc1ccn2c(C(=O)Oc3cc([N+](=O)[O-])ccc3C)cnc2c1 ZINC001357280548 1335295958 /nfs/dbraw/zinc/29/59/58/1335295958.db2.gz JXHHUESFNADMPH-UHFFFAOYSA-N 0 0 327.296 2.779 10 5 EFBERN Nc1c(C(=O)N2CCCn3nccc32)cc2ccccc2c1[N+](=O)[O-] ZINC001357387344 1335306307 /nfs/dbraw/zinc/30/63/07/1335306307.db2.gz LQFCXQRWBGYEDV-UHFFFAOYSA-N 0 0 337.339 2.577 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)ccc1C ZINC001357452573 1335308135 /nfs/dbraw/zinc/30/81/35/1335308135.db2.gz AYZVRKNDFCRELX-UHFFFAOYSA-N 0 0 344.323 2.951 10 5 EFBERN COc1ccc(NC(C)=O)c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001357596677 1335319396 /nfs/dbraw/zinc/31/93/96/1335319396.db2.gz DSCDLWGUKGDHLE-UHFFFAOYSA-N 0 0 344.327 2.518 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC001357599190 1335319843 /nfs/dbraw/zinc/31/98/43/1335319843.db2.gz MNFQTOPPVSGVJI-UHFFFAOYSA-N 0 0 325.328 2.734 10 5 EFBERN Cc1cccc(NC(=O)COC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001357749526 1335331069 /nfs/dbraw/zinc/33/10/69/1335331069.db2.gz YEEHONNPFWTWSP-UHFFFAOYSA-N 0 0 346.314 2.767 10 5 EFBERN CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001357809459 1335335238 /nfs/dbraw/zinc/33/52/38/1335335238.db2.gz FXXPNLYQAMAIAE-IUODEOHRSA-N 0 0 343.383 2.875 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC001357861199 1335340548 /nfs/dbraw/zinc/34/05/48/1335340548.db2.gz VFDWTOIUQALJQB-UHFFFAOYSA-N 0 0 341.323 2.909 10 5 EFBERN COc1ccc(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC001357995933 1335352809 /nfs/dbraw/zinc/35/28/09/1335352809.db2.gz PSOZQSPNBCPFIJ-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCCO1 ZINC001358048736 1335357903 /nfs/dbraw/zinc/35/79/03/1335357903.db2.gz JYSLEBFJTDALEV-CYBMUJFWSA-N 0 0 341.367 2.908 10 5 EFBERN C[C@@H]1CC[C@@H](OC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC001358216877 1335366822 /nfs/dbraw/zinc/36/68/22/1335366822.db2.gz HXJSXACKLSWTPL-BXUZGUMPSA-N 0 0 330.344 2.580 10 5 EFBERN Cc1cc(Cl)nc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC001358330141 1335372510 /nfs/dbraw/zinc/37/25/10/1335372510.db2.gz TWZGLHCYQGLKFM-UHFFFAOYSA-N 0 0 349.730 2.747 10 5 EFBERN C[C@@H](COc1ccc(F)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001358343814 1335373183 /nfs/dbraw/zinc/37/31/83/1335373183.db2.gz GGIVAIDABRXXNW-LBPRGKRZSA-N 0 0 332.331 2.860 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)COc2ccccc2)c([N+](=O)[O-])cc1F ZINC001358433047 1335377966 /nfs/dbraw/zinc/37/79/66/1335377966.db2.gz MUEPIGAYMAXAFQ-NSHDSACASA-N 0 0 348.330 2.940 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000861445061 1335394080 /nfs/dbraw/zinc/39/40/80/1335394080.db2.gz WIXAUFDFJYRBMB-VWYCJHECSA-N 0 0 347.245 2.551 10 5 EFBERN CC[C@H](NC(=O)/C=C\COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000866372485 1335515360 /nfs/dbraw/zinc/51/53/60/1335515360.db2.gz HFFHSBUUUQZVIQ-IMXKFXGHSA-N 0 0 348.399 2.914 10 5 EFBERN CCO[C@H](C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000870233956 1335540178 /nfs/dbraw/zinc/54/01/78/1335540178.db2.gz OOEXKKOQBMHOEB-BJJXKVORSA-N 0 0 337.372 2.949 10 5 EFBERN O=[N+]([O-])c1ccc(NC(=S)NC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000849295812 1335589527 /nfs/dbraw/zinc/58/95/27/1335589527.db2.gz KGOSEVYSTMJISC-YPMHNXCESA-N 0 0 343.355 2.696 10 5 EFBERN C[C@@H](CC(F)(F)F)CS(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000849367989 1335599636 /nfs/dbraw/zinc/59/96/36/1335599636.db2.gz MGFZLSAYXUOYGM-QMMMGPOBSA-N 0 0 327.280 2.892 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(c3ccco3)CC2)cs1 ZINC000849418792 1335610871 /nfs/dbraw/zinc/61/08/71/1335610871.db2.gz HXZXRMLKDWRYAR-UHFFFAOYSA-N 0 0 342.398 2.818 10 5 EFBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC(C)(C)F)c1 ZINC000849456610 1335621669 /nfs/dbraw/zinc/62/16/69/1335621669.db2.gz AXMQZGLFRUCPEA-UHFFFAOYSA-N 0 0 338.788 2.973 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](CCF)C2)cc([N+](=O)[O-])c1F ZINC000849463643 1335624038 /nfs/dbraw/zinc/62/40/38/1335624038.db2.gz BNUYYCLXDSCFMT-NSHDSACASA-N 0 0 348.371 2.803 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@H](CCF)C2)cc([N+](=O)[O-])c1F ZINC000849463642 1335624052 /nfs/dbraw/zinc/62/40/52/1335624052.db2.gz BNUYYCLXDSCFMT-LLVKDONJSA-N 0 0 348.371 2.803 10 5 EFBERN CSc1ccc(C(=O)OCCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000849619886 1335661993 /nfs/dbraw/zinc/66/19/93/1335661993.db2.gz DCBSHZAFKJVQDV-LLVKDONJSA-N 0 0 333.312 2.898 10 5 EFBERN O=C(OCCO[C@@H]1CC1(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000849622323 1335662581 /nfs/dbraw/zinc/66/25/81/1335662581.db2.gz ABXRFARLVCLKDZ-CYBMUJFWSA-N 0 0 342.298 2.750 10 5 EFBERN CC(C)O[C@@]1(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCOC1 ZINC000849630469 1335666742 /nfs/dbraw/zinc/66/67/42/1335666742.db2.gz TVSBYAOZNOIDDP-HNNXBMFYSA-N 0 0 343.763 2.989 10 5 EFBERN CCc1nnc([C@H](C)OC(=O)c2cc(SC)ccc2[N+](=O)[O-])[nH]1 ZINC000849646980 1335677915 /nfs/dbraw/zinc/67/79/15/1335677915.db2.gz VHSNPBWITYEKNE-QMMMGPOBSA-N 0 0 336.373 2.915 10 5 EFBERN C[C@@H](O)CCOC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000849670236 1335689362 /nfs/dbraw/zinc/68/93/62/1335689362.db2.gz BTCDAJRUHVYPTL-CHWSQXEVSA-N 0 0 336.388 2.759 10 5 EFBERN O=C(OCCO[C@@H]1CC1(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000849692645 1335700964 /nfs/dbraw/zinc/70/09/64/1335700964.db2.gz MMLKMTGICNXTMO-GFCCVEGCSA-N 0 0 327.239 2.922 10 5 EFBERN CO[C@H](COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000849718503 1335714804 /nfs/dbraw/zinc/71/48/04/1335714804.db2.gz TVJSENLNIOMBNC-MRXNPFEDSA-N 0 0 332.356 2.908 10 5 EFBERN CO[C@@H](COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000849718502 1335714948 /nfs/dbraw/zinc/71/49/48/1335714948.db2.gz TVJSENLNIOMBNC-INIZCTEOSA-N 0 0 332.356 2.908 10 5 EFBERN CC(C)O[C@]1(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CCOC1 ZINC000849739551 1335726538 /nfs/dbraw/zinc/72/65/38/1335726538.db2.gz CJCCRRCMKDKPGS-OAHLLOKOSA-N 0 0 345.298 2.614 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCO[C@H]1CC1(F)F ZINC000849755680 1335737020 /nfs/dbraw/zinc/73/70/20/1335737020.db2.gz APCSMNOXOLLXNE-KJJQSCHISA-N 0 0 327.283 2.966 10 5 EFBERN CO[C@@H](COC(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849759059 1335739874 /nfs/dbraw/zinc/73/98/74/1335739874.db2.gz BFWXNLVUTOQIRI-PWSUYJOCSA-N 0 0 341.385 2.525 10 5 EFBERN CCc1nnc([C@@H](C)OC(=O)c2cccc(SC)c2[N+](=O)[O-])[nH]1 ZINC000849759292 1335740257 /nfs/dbraw/zinc/74/02/57/1335740257.db2.gz GVDSYADQOCYFCB-MRVPVSSYSA-N 0 0 336.373 2.915 10 5 EFBERN CCc1[nH]nc(C(=O)OC[C@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000849762259 1335741407 /nfs/dbraw/zinc/74/14/07/1335741407.db2.gz KEGJHZTWBZWZQW-LBPRGKRZSA-N 0 0 325.365 2.632 10 5 EFBERN CNc1nccc(C(=O)OC[C@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000849820682 1335767935 /nfs/dbraw/zinc/76/79/35/1335767935.db2.gz GQXBZBBCQXVLIM-ZDUSSCGKSA-N 0 0 337.376 2.784 10 5 EFBERN Cc1ccn([C@H](C)CC(=O)OCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000849840523 1335773255 /nfs/dbraw/zinc/77/32/55/1335773255.db2.gz FVZLORGPYIGEIY-CYBMUJFWSA-N 0 0 333.344 2.673 10 5 EFBERN CO[C@H]1CC[C@@H](C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000849898093 1335796326 /nfs/dbraw/zinc/79/63/26/1335796326.db2.gz BTZFFGMPLAMIJT-YPMHNXCESA-N 0 0 347.327 2.503 10 5 EFBERN CC(C)(CC(F)(F)F)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000849907716 1335801778 /nfs/dbraw/zinc/80/17/78/1335801778.db2.gz GGUPIEUZVHMKPB-UHFFFAOYSA-N 0 0 348.277 2.716 10 5 EFBERN CO[C@H](COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)[C@@H]1CCOC1 ZINC000849927796 1335809600 /nfs/dbraw/zinc/80/96/00/1335809600.db2.gz CFCGMARZXAFDKF-RNFRBKRXSA-N 0 0 339.241 2.582 10 5 EFBERN COc1cc(COC(=O)[C@]23C[C@H]2COC3(C)C)c([N+](=O)[O-])cc1F ZINC000849934273 1335812723 /nfs/dbraw/zinc/81/27/23/1335812723.db2.gz VAWLVFYPFQRYRB-QFYYESIMSA-N 0 0 339.319 2.601 10 5 EFBERN CC1(C)OC[C@H]2C[C@]21C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000849938503 1335814416 /nfs/dbraw/zinc/81/44/16/1335814416.db2.gz VKWIKRIMZYWMBD-ANRSDYALSA-N 0 0 327.283 2.731 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@@H](C(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000875349024 1335838731 /nfs/dbraw/zinc/83/87/31/1335838731.db2.gz VQNSTXRAPMJRDG-HIFRSBDPSA-N 0 0 335.404 2.848 10 5 EFBERN COC(=O)c1[nH]c(C)cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001360019390 1335932905 /nfs/dbraw/zinc/93/29/05/1335932905.db2.gz MNZFHXTVZPDLFD-UHFFFAOYSA-N 0 0 335.291 2.718 10 5 EFBERN CO[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001360042508 1335933223 /nfs/dbraw/zinc/93/32/23/1335933223.db2.gz XUBSCCQWVHQLGK-MRXNPFEDSA-N 0 0 348.330 2.617 10 5 EFBERN CO[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001360042505 1335933241 /nfs/dbraw/zinc/93/32/41/1335933241.db2.gz XUBSCCQWVHQLGK-INIZCTEOSA-N 0 0 348.330 2.617 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1c1ccco1 ZINC001360310820 1335938764 /nfs/dbraw/zinc/93/87/64/1335938764.db2.gz LPPFGYGXVHVURU-CQSZACIVSA-N 0 0 334.303 2.849 10 5 EFBERN COc1ccc(N(CCc2ccccc2)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001360489604 1335941783 /nfs/dbraw/zinc/94/17/83/1335941783.db2.gz WAINPTWLIJYKNT-QZTJIDSGSA-N 0 0 340.379 2.936 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ncsc2C2CC2)cc([N+](=O)[O-])c1 ZINC001360572492 1335943785 /nfs/dbraw/zinc/94/37/85/1335943785.db2.gz KGWYFISSEWBPRA-UHFFFAOYSA-N 0 0 347.352 2.968 10 5 EFBERN CC(C)CCCCNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001360642026 1335944871 /nfs/dbraw/zinc/94/48/71/1335944871.db2.gz DYFDXCRYBSQUEX-UHFFFAOYSA-N 0 0 345.403 2.791 10 5 EFBERN C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001360662874 1335944899 /nfs/dbraw/zinc/94/48/99/1335944899.db2.gz BVMAXAHCKDDASM-CHWSQXEVSA-N 0 0 343.387 2.826 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)n1 ZINC001360659035 1335944981 /nfs/dbraw/zinc/94/49/81/1335944981.db2.gz SXWOHLBOFOCTBO-AWEZNQCLSA-N 0 0 340.383 2.697 10 5 EFBERN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001360902583 1335949662 /nfs/dbraw/zinc/94/96/62/1335949662.db2.gz PJFZZIRZAXOFQH-DMDPSCGWSA-N 0 0 330.306 2.808 10 5 EFBERN CC(C)CCCCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001360909697 1335950106 /nfs/dbraw/zinc/95/01/06/1335950106.db2.gz AHEMXDZADPQQNC-UHFFFAOYSA-N 0 0 342.417 2.554 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C)c2ncccc21 ZINC001361019359 1335952849 /nfs/dbraw/zinc/95/28/49/1335952849.db2.gz VQSKXDKFTSLOJD-UHFFFAOYSA-N 0 0 330.319 2.534 10 5 EFBERN NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001361150544 1335955324 /nfs/dbraw/zinc/95/53/24/1335955324.db2.gz JVDZLGMACGVSIW-QWHCGFSZSA-N 0 0 343.314 2.575 10 5 EFBERN NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001361150545 1335955662 /nfs/dbraw/zinc/95/56/62/1335955662.db2.gz JVDZLGMACGVSIW-STQMWFEESA-N 0 0 343.314 2.575 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(N2CCCC2)n1 ZINC001436598281 1387270136 /nfs/dbraw/zinc/27/01/36/1387270136.db2.gz SIGAILKZJYPGRM-UHFFFAOYSA-N 0 0 341.371 2.800 10 5 EFBERN Cc1nocc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001437253172 1387488779 /nfs/dbraw/zinc/48/87/79/1387488779.db2.gz OBRPRKDGAUONCJ-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN COc1cc(OCC(=O)Nc2nc(C3CC3)c(C)o2)ccc1[N+](=O)[O-] ZINC001437302054 1387530696 /nfs/dbraw/zinc/53/06/96/1387530696.db2.gz NTTNSDBKAKUGJD-UHFFFAOYSA-N 0 0 347.327 2.795 10 5 EFBERN CC(C)n1cnc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001437337425 1387559567 /nfs/dbraw/zinc/55/95/67/1387559567.db2.gz STTORBYWOLMZLC-UHFFFAOYSA-N 0 0 329.360 2.828 10 5 EFBERN CN(C)c1cc(F)cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001437350952 1387572720 /nfs/dbraw/zinc/57/27/20/1387572720.db2.gz XFQSHELZGYBLGT-UHFFFAOYSA-N 0 0 348.290 2.960 10 5 EFBERN CCNc1nnc(Sc2cc(F)c([N+](=O)[O-])cc2CO)s1 ZINC001458080693 1395403939 /nfs/dbraw/zinc/40/39/39/1395403939.db2.gz XMXAKLUSXRNGNY-UHFFFAOYSA-N 0 0 330.366 2.661 10 5 EFBERN CCOc1cc(C(=O)Nc2cc(F)ccn2)c([N+](=O)[O-])cc1OC ZINC001437465128 1387668278 /nfs/dbraw/zinc/66/82/78/1387668278.db2.gz MKMLGWFBJCFEAK-UHFFFAOYSA-N 0 0 335.291 2.789 10 5 EFBERN O=C(Nc1cc(F)ccn1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001437469333 1387671754 /nfs/dbraw/zinc/67/17/54/1387671754.db2.gz ZEVYCPNNDABKOS-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN CO[C@@H]1COCC[C@H]1CC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001437521265 1387725002 /nfs/dbraw/zinc/72/50/02/1387725002.db2.gz FKTRODMJFGNQSI-SWLSCSKDSA-N 0 0 345.355 2.523 10 5 EFBERN COc1c(F)nccc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001437523129 1387727589 /nfs/dbraw/zinc/72/75/89/1387727589.db2.gz ARHYFOGMFOOFHW-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cnc2n1CCCC2 ZINC001437528297 1387732333 /nfs/dbraw/zinc/73/23/33/1387732333.db2.gz YWKXCIJVGMUBBR-UHFFFAOYSA-N 0 0 337.339 2.928 10 5 EFBERN CC(C)Cn1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001437577484 1387789696 /nfs/dbraw/zinc/78/96/96/1387789696.db2.gz DTSPAEKJKLTGLT-UHFFFAOYSA-N 0 0 334.288 2.575 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC001437586854 1387795413 /nfs/dbraw/zinc/79/54/13/1387795413.db2.gz CHQUPZYEKKTAAK-UHFFFAOYSA-N 0 0 346.318 2.754 10 5 EFBERN CC(=O)c1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001437590818 1387798947 /nfs/dbraw/zinc/79/89/47/1387798947.db2.gz ZHJKZINIBRBANN-UHFFFAOYSA-N 0 0 336.281 2.986 10 5 EFBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCc2cc[nH]c(=O)c21 ZINC001437675281 1387925234 /nfs/dbraw/zinc/92/52/34/1387925234.db2.gz CEVUEGKITKGZSW-UHFFFAOYSA-N 0 0 333.731 2.942 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2nc(F)ccc21 ZINC001437680312 1387933872 /nfs/dbraw/zinc/93/38/72/1387933872.db2.gz VCUXUGASRAXMKU-UHFFFAOYSA-N 0 0 335.722 2.914 10 5 EFBERN COc1cccc(C(=O)Nc2cnc3c(C)cccn23)c1[N+](=O)[O-] ZINC001437686670 1387942726 /nfs/dbraw/zinc/94/27/26/1387942726.db2.gz IBIXPEGEVUDLCW-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC001437789784 1388073527 /nfs/dbraw/zinc/07/35/27/1388073527.db2.gz HKPXBDPAKXVGLY-UHFFFAOYSA-N 0 0 341.367 2.816 10 5 EFBERN COc1cc(C(=O)Nc2ccccc2NC(C)=O)ccc1[N+](=O)[O-] ZINC001437819680 1388115974 /nfs/dbraw/zinc/11/59/74/1388115974.db2.gz XAIJRUMADFQJKU-UHFFFAOYSA-N 0 0 329.312 2.814 10 5 EFBERN COC(=O)[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)CCCC(C)(C)C1 ZINC001437828440 1388121067 /nfs/dbraw/zinc/12/10/67/1388121067.db2.gz MYDJVRFIPPWYSK-QGZVFWFLSA-N 0 0 349.387 2.540 10 5 EFBERN Cn1nc(C(F)(F)F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001437910318 1388209350 /nfs/dbraw/zinc/20/93/50/1388209350.db2.gz YFBTVGSQFHJRKT-UHFFFAOYSA-N 0 0 328.250 2.528 10 5 EFBERN CCOc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001545723466 1372930066 /nfs/dbraw/zinc/93/00/66/1372930066.db2.gz ZJQRVEPERFKPTG-UHFFFAOYSA-N 0 0 329.356 2.814 10 5 EFBERN NC(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)nc2ccccc21 ZINC001437961899 1388277024 /nfs/dbraw/zinc/27/70/24/1388277024.db2.gz KAFBEZIVDRTHES-UHFFFAOYSA-N 0 0 342.336 2.556 10 5 EFBERN Nc1c(C(=O)NCC[C@@H]2CCCOC2)cc2ccccc2c1[N+](=O)[O-] ZINC001437966701 1388278324 /nfs/dbraw/zinc/27/83/24/1388278324.db2.gz JTYGHOGQRGIIGM-LBPRGKRZSA-N 0 0 343.383 2.877 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC001438141434 1388379267 /nfs/dbraw/zinc/37/92/67/1388379267.db2.gz HROAZOASMWTYIJ-YEORSEQZSA-N 0 0 331.397 2.986 10 5 EFBERN COc1c(C(=O)Nc2cccc3nsnc32)cccc1[N+](=O)[O-] ZINC001438184254 1388405783 /nfs/dbraw/zinc/40/57/83/1388405783.db2.gz GDPSMMRYJKCFQJ-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccns1 ZINC001438202139 1388411668 /nfs/dbraw/zinc/41/16/68/1388411668.db2.gz UQTFWEVQTOQYOL-SECBINFHSA-N 0 0 330.369 2.953 10 5 EFBERN COc1cc(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 ZINC001438225384 1388423818 /nfs/dbraw/zinc/42/38/18/1388423818.db2.gz AHLSTGDTOCLDBY-UHFFFAOYSA-N 0 0 335.747 2.624 10 5 EFBERN COc1cncc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC001438257254 1388454685 /nfs/dbraw/zinc/45/46/85/1388454685.db2.gz SESVGHLADJAOHW-UHFFFAOYSA-N 0 0 328.328 2.825 10 5 EFBERN COc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(F)c1 ZINC001438460129 1388625834 /nfs/dbraw/zinc/62/58/34/1388625834.db2.gz HKQFCZWPQBRZFH-UHFFFAOYSA-N 0 0 334.259 2.724 10 5 EFBERN Cc1ccc2sc(NC(=O)Cn3cc([N+](=O)[O-])cn3)nc2c1C ZINC001438476838 1388633740 /nfs/dbraw/zinc/63/37/40/1388633740.db2.gz WSXZOTQSSWLXOW-UHFFFAOYSA-N 0 0 331.357 2.657 10 5 EFBERN CN1Cc2ccccc2[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001438578968 1388679309 /nfs/dbraw/zinc/67/93/09/1388679309.db2.gz WSMJWGKSCBVPEJ-OAHLLOKOSA-N 0 0 329.331 2.650 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(C)c1 ZINC001438725270 1388767164 /nfs/dbraw/zinc/76/71/64/1388767164.db2.gz ABQWGSHAZLUXNW-LBPRGKRZSA-N 0 0 332.312 2.530 10 5 EFBERN O=C(Nc1cccc2c1NC(=O)CO2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001438784394 1388812208 /nfs/dbraw/zinc/81/22/08/1388812208.db2.gz FMFDEHJGPKBBHR-UHFFFAOYSA-N 0 0 347.714 2.831 10 5 EFBERN O=C(Nc1cccc2c1NC(=O)CO2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001438784883 1388812556 /nfs/dbraw/zinc/81/25/56/1388812556.db2.gz KWORKALJVICIKL-UHFFFAOYSA-N 0 0 347.714 2.831 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)CSC(F)(F)F ZINC001438795854 1388821070 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COc1cccc2c1OCCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001438973610 1388957940 /nfs/dbraw/zinc/95/79/40/1388957940.db2.gz OAXMNKUQDBAYNT-LLVKDONJSA-N 0 0 332.312 2.840 10 5 EFBERN C[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001439032681 1388965077 /nfs/dbraw/zinc/96/50/77/1388965077.db2.gz PCGBGIZLNJNTFU-GFCCVEGCSA-N 0 0 341.367 2.504 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ncc(Cl)s1 ZINC001439063769 1388973203 /nfs/dbraw/zinc/97/32/03/1388973203.db2.gz TZESPZOCKPKPER-UHFFFAOYSA-N 0 0 340.792 2.823 10 5 EFBERN Cc1csc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)n1 ZINC001439090057 1388989333 /nfs/dbraw/zinc/98/93/33/1388989333.db2.gz WHGZIGABXLVERP-NSHDSACASA-N 0 0 332.385 2.693 10 5 EFBERN Cc1cccc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)c1[N+](=O)[O-] ZINC001439118825 1388999536 /nfs/dbraw/zinc/99/95/36/1388999536.db2.gz RMSQPVHHECUALG-UHFFFAOYSA-N 0 0 327.296 2.680 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC001439140396 1389011416 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330.296 2.893 10 5 EFBERN CS(=O)(=O)C1(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CCC1 ZINC001440178672 1389421157 /nfs/dbraw/zinc/42/11/57/1389421157.db2.gz FXBSQJLKKJQVGI-UHFFFAOYSA-N 0 0 348.380 2.654 10 5 EFBERN Cc1ccnc2nc(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)nn21 ZINC001440188050 1389424663 /nfs/dbraw/zinc/42/46/63/1389424663.db2.gz WREBGVMTXPGJMQ-UHFFFAOYSA-N 0 0 348.322 2.746 10 5 EFBERN Cc1nccnc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001440239369 1389466181 /nfs/dbraw/zinc/46/61/81/1389466181.db2.gz SXOLNGQHEJNTSX-VIFPVBQESA-N 0 0 336.735 2.753 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1cn2ccccc2n1 ZINC001440380127 1389578902 /nfs/dbraw/zinc/57/89/02/1389578902.db2.gz BUIPLNFRPLHAQH-UHFFFAOYSA-N 0 0 342.330 2.631 10 5 EFBERN CCCN(Cc1ccc(F)cc1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001441142789 1391139775 /nfs/dbraw/zinc/13/97/75/1391139775.db2.gz ATXLADXOYUVWPT-UHFFFAOYSA-N 0 0 332.335 2.764 10 5 EFBERN C/C(=C/c1cccnc1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001441238687 1391204091 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CCCc1cc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)n(C)n1 ZINC001446808338 1391608796 /nfs/dbraw/zinc/60/87/96/1391608796.db2.gz WSKZPIKGWVZHMV-UHFFFAOYSA-N 0 0 337.767 2.769 10 5 EFBERN Cc1cc(C)c2c(c1)CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CC2 ZINC001447888678 1391792001 /nfs/dbraw/zinc/79/20/01/1391792001.db2.gz DIMIWNZRSSXQGF-UHFFFAOYSA-N 0 0 334.763 2.787 10 5 EFBERN CC[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ncc[nH]1 ZINC001448160807 1391992118 /nfs/dbraw/zinc/99/21/18/1391992118.db2.gz RBKUMXOEPGGELQ-GFCCVEGCSA-N 0 0 340.343 2.589 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OCCN3C)c1 ZINC001448193137 1392004268 /nfs/dbraw/zinc/00/42/68/1392004268.db2.gz QQANFERZYBOZTR-UHFFFAOYSA-N 0 0 327.340 2.984 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C(N)=O)c1 ZINC001449900581 1392429730 /nfs/dbraw/zinc/42/97/30/1392429730.db2.gz VWRAIGUTFATXJL-UHFFFAOYSA-N 0 0 342.355 2.766 10 5 EFBERN CC1=NO[C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001449937052 1392447378 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Nc1nccc(C(=O)NCc2ccsc2C(F)(F)F)c1[N+](=O)[O-] ZINC001454537326 1393054246 /nfs/dbraw/zinc/05/42/46/1393054246.db2.gz GXEAPKCGMUGRSA-UHFFFAOYSA-N 0 0 346.290 2.582 10 5 EFBERN C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)Cc2c[nH]nc21 ZINC001454675769 1393088734 /nfs/dbraw/zinc/08/87/34/1393088734.db2.gz LXEKVDIIBZBJIU-VIFPVBQESA-N 0 0 325.328 2.559 10 5 EFBERN Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001454902069 1394378522 /nfs/dbraw/zinc/37/85/22/1394378522.db2.gz VAOOEDZVAMLKDO-ZDUSSCGKSA-N 0 0 347.415 2.604 10 5 EFBERN O=C(NCc1cc2c([nH]c1=O)CCCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001454988192 1394499897 /nfs/dbraw/zinc/49/98/97/1394499897.db2.gz DDVKPQGGCXMHTJ-UHFFFAOYSA-N 0 0 345.330 2.643 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1noc2cc(F)ccc21 ZINC001455109279 1394557079 /nfs/dbraw/zinc/55/70/79/1394557079.db2.gz PVNNQILEDLJHHE-UHFFFAOYSA-N 0 0 347.277 2.873 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCC(=O)CC2CCCCC2)c1[N+](=O)[O-] ZINC001455125945 1394563559 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EFBERN COc1cccc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC001456487224 1394701811 /nfs/dbraw/zinc/70/18/11/1394701811.db2.gz RPHKMEYOBFJCQO-NSHDSACASA-N 0 0 330.340 2.843 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC001456542934 1394711150 /nfs/dbraw/zinc/71/11/50/1394711150.db2.gz JZHUKSCWDLVFEL-HWKANZROSA-N 0 0 349.730 2.900 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001456545251 1394712200 /nfs/dbraw/zinc/71/22/00/1394712200.db2.gz NJWKKPQIMYUEOD-SNVBAGLBSA-N 0 0 349.778 2.739 10 5 EFBERN CC[C@H](C)n1nccc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001456645389 1394741502 /nfs/dbraw/zinc/74/15/02/1394741502.db2.gz YWFAFZNQMHSLMU-JTQLQIEISA-N 0 0 346.343 2.801 10 5 EFBERN COc1ccc([C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C2CCC2)cc1 ZINC001456672850 1394758321 /nfs/dbraw/zinc/75/83/21/1394758321.db2.gz OBIGKMKXALGOOP-AWEZNQCLSA-N 0 0 330.344 2.598 10 5 EFBERN O=C(c1csc(-c2ncc[nH]2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001456721461 1394781399 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2.959 10 5 EFBERN C[S@](=O)(=NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC001457088166 1394964154 /nfs/dbraw/zinc/96/41/54/1394964154.db2.gz BQPQACGEUASVLJ-HSZRJFAPSA-N 0 0 337.332 2.613 10 5 EFBERN CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1CCc2ccccc2C1 ZINC001457157784 1395007012 /nfs/dbraw/zinc/00/70/12/1395007012.db2.gz UCNGULAOBDVBCI-LLVKDONJSA-N 0 0 334.763 2.601 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCC(F)F ZINC001457181729 1395023033 /nfs/dbraw/zinc/02/30/33/1395023033.db2.gz WYJREXMVXVZXKG-UHFFFAOYSA-N 0 0 335.694 2.592 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1OCc2ccccc21 ZINC001457208764 1395030269 /nfs/dbraw/zinc/03/02/69/1395030269.db2.gz YIOQCTIQNCTELQ-OAHLLOKOSA-N 0 0 330.315 2.664 10 5 EFBERN CNc1nccc(C(=O)Nc2cncc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001457239170 1395039508 /nfs/dbraw/zinc/03/95/08/1395039508.db2.gz USQANRFAWACEBP-UHFFFAOYSA-N 0 0 341.249 2.698 10 5 EFBERN COC(=O)/C=C\[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001457281276 1395053611 /nfs/dbraw/zinc/05/36/11/1395053611.db2.gz VFZSUEWZWMQWOB-KFOINNEUSA-N 0 0 347.154 2.749 10 5 EFBERN C[C@@H](Cc1cccs1)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001457431887 1395112097 /nfs/dbraw/zinc/11/20/97/1395112097.db2.gz ZCOLEQMMUUDCON-NSHDSACASA-N 0 0 336.417 2.678 10 5 EFBERN O=C(c1cc(Cl)ncc1F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001457580457 1395228790 /nfs/dbraw/zinc/22/87/90/1395228790.db2.gz XYMMVVOJCMFHBO-UHFFFAOYSA-N 0 0 335.722 2.981 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(n1)CCCN2 ZINC001457706657 1395300106 /nfs/dbraw/zinc/30/01/06/1395300106.db2.gz LMRGCBHEPZTSAT-UHFFFAOYSA-N 0 0 346.774 2.931 10 5 EFBERN COc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CCC2 ZINC001457735297 1395307768 /nfs/dbraw/zinc/30/77/68/1395307768.db2.gz OAFWRIXDXXGSCK-OAHLLOKOSA-N 0 0 343.339 2.511 10 5 EFBERN COCc1c(Cl)cccc1NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001457801879 1395339067 /nfs/dbraw/zinc/33/90/67/1395339067.db2.gz YQANNEOSXXSWIX-UHFFFAOYSA-N 0 0 338.751 2.538 10 5 EFBERN C[C@H](C[C@H]1CCOC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001457814994 1395344103 /nfs/dbraw/zinc/34/41/03/1395344103.db2.gz MOTJVLOIJXTCGU-VXGBXAGGSA-N 0 0 343.383 2.875 10 5 EFBERN O=C(NCc1ccc(C2CC2)cc1F)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001457860570 1395369889 /nfs/dbraw/zinc/36/98/89/1395369889.db2.gz QEEPMZBIJOCWBG-UHFFFAOYSA-N 0 0 331.303 2.642 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2c[nH]nc2C1 ZINC001457893935 1395382968 /nfs/dbraw/zinc/38/29/68/1395382968.db2.gz MKSUQHTWDZAJGK-LLVKDONJSA-N 0 0 337.339 2.610 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2c[nH]nc2C1 ZINC001457893938 1395383226 /nfs/dbraw/zinc/38/32/26/1395383226.db2.gz MKSUQHTWDZAJGK-NSHDSACASA-N 0 0 337.339 2.610 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CCCOc2ccccc21 ZINC001458044368 1395399282 /nfs/dbraw/zinc/39/92/82/1395399282.db2.gz FJDMMTRAKIECES-CQSZACIVSA-N 0 0 331.328 2.557 10 5 EFBERN COc1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1N1CCCCC1=O ZINC001458107133 1395408491 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Cn1cc([N+](=O)[O-])c(NCCc2ccccc2OC(F)(F)F)n1 ZINC001458252946 1395432701 /nfs/dbraw/zinc/43/27/01/1395432701.db2.gz MBJSAGBXXXKBEV-UHFFFAOYSA-N 0 0 330.266 2.882 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@H]1CCC2(C1)OCCO2 ZINC001458287528 1395438474 /nfs/dbraw/zinc/43/84/74/1395438474.db2.gz PEXIIWGQVLEUJN-NSHDSACASA-N 0 0 349.774 2.926 10 5 EFBERN NC(=O)c1cc(SCc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC001458335219 1395449127 /nfs/dbraw/zinc/44/91/27/1395449127.db2.gz WDTPAZNEQQVDIF-UHFFFAOYSA-N 0 0 332.337 2.715 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3nn(C)cc3Cl)c2c1 ZINC001458390720 1395457830 /nfs/dbraw/zinc/45/78/30/1395457830.db2.gz ZVJUHZWHJWHFEX-UHFFFAOYSA-N 0 0 347.762 2.573 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2cccnc2)c2ccncc21 ZINC001458420871 1395463499 /nfs/dbraw/zinc/46/34/99/1395463499.db2.gz UOTMDJCLMGFILG-AWEZNQCLSA-N 0 0 338.367 2.801 10 5 EFBERN CCOC(C)(C)C(=O)Nc1cc(CC)nc2ccc([N+](=O)[O-])cc21 ZINC001458423391 1395464278 /nfs/dbraw/zinc/46/42/78/1395464278.db2.gz PVTSDKYGTBDRLL-UHFFFAOYSA-N 0 0 331.372 2.881 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](CO)c1ccc(F)cc1 ZINC001458427669 1395465689 /nfs/dbraw/zinc/46/56/89/1395465689.db2.gz HKQZPYJZMDSREB-JTQLQIEISA-N 0 0 325.727 2.970 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3C[C@H](O)C[C@H]3c3ccccc3)c2c1 ZINC001458434836 1395466892 /nfs/dbraw/zinc/46/68/92/1395466892.db2.gz OASGJKYORLYQBF-PBHICJAKSA-N 0 0 336.351 2.850 10 5 EFBERN CC[C@H](NC(=O)c1csc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC001458432587 1395467220 /nfs/dbraw/zinc/46/72/20/1395467220.db2.gz RNUGGEFCPXCYFE-NSHDSACASA-N 0 0 349.368 2.719 10 5 EFBERN CNC(=O)c1ccc(NCc2cc(C)nc(Cl)c2)c([N+](=O)[O-])c1 ZINC001458448198 1395470888 /nfs/dbraw/zinc/47/08/88/1395470888.db2.gz KCKVYJZUPJEUOA-UHFFFAOYSA-N 0 0 334.763 2.923 10 5 EFBERN CC[C@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC001458461275 1395474127 /nfs/dbraw/zinc/47/41/27/1395474127.db2.gz QJRZYWPDTFDWCM-ZBFHGGJFSA-N 0 0 334.372 2.848 10 5 EFBERN Cc1cc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ncn1 ZINC001458475911 1395477641 /nfs/dbraw/zinc/47/76/41/1395477641.db2.gz JJFGKKVFPPIRFS-UHFFFAOYSA-N 0 0 349.350 2.685 10 5 EFBERN O=C(Nc1ccncc1F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001458480930 1395478961 /nfs/dbraw/zinc/47/89/61/1395478961.db2.gz TULWMUCVKORZMS-UHFFFAOYSA-N 0 0 329.209 2.822 10 5 EFBERN COC(=O)C[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001458485352 1395479944 /nfs/dbraw/zinc/47/99/44/1395479944.db2.gz MKKYZZBALQVJBW-LLVKDONJSA-N 0 0 347.346 2.705 10 5 EFBERN C[C@@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1ccc[nH]1 ZINC001458506604 1395484906 /nfs/dbraw/zinc/48/49/06/1395484906.db2.gz FGUGQEMOIAQFRE-GFCCVEGCSA-N 0 0 339.355 2.659 10 5 EFBERN COc1ccccc1-c1cc(CNc2c([N+](=O)[O-])ncn2C)on1 ZINC001458517857 1395486780 /nfs/dbraw/zinc/48/67/80/1395486780.db2.gz QELSGCNNVCXNRZ-UHFFFAOYSA-N 0 0 329.316 2.604 10 5 EFBERN O=[N+]([O-])c1cnccc1N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC001458526050 1395489075 /nfs/dbraw/zinc/48/90/75/1395489075.db2.gz HZKPYRNSZSTGEO-WKPIXPDZSA-N 0 0 346.184 2.924 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2ccnc(-n3cncn3)c2)c2ccncc21 ZINC001458537227 1395491621 /nfs/dbraw/zinc/49/16/21/1395491621.db2.gz ROMFCKCUBVNFEX-UHFFFAOYSA-N 0 0 347.338 2.731 10 5 EFBERN CCOC(=O)c1cc(CNc2ccc3ncccc3c2[N+](=O)[O-])on1 ZINC001458545118 1395494588 /nfs/dbraw/zinc/49/45/88/1395494588.db2.gz FPISLQGPQBKOLF-UHFFFAOYSA-N 0 0 342.311 2.920 10 5 EFBERN Cc1ccnc(Nc2cccc([C@]3(C)COC(=O)N3)c2)c1[N+](=O)[O-] ZINC001458556914 1395497528 /nfs/dbraw/zinc/49/75/28/1395497528.db2.gz QOWLHKIOTWMJFJ-INIZCTEOSA-N 0 0 328.328 2.997 10 5 EFBERN Cc1nccn1CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001458557068 1395497693 /nfs/dbraw/zinc/49/76/93/1395497693.db2.gz LUCXIIXFHHUTNL-UHFFFAOYSA-N 0 0 331.763 2.835 10 5 EFBERN CN(C[C@H](O)c1cccnc1)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001458582497 1395509296 /nfs/dbraw/zinc/50/92/96/1395509296.db2.gz LFPAFXHPZNLSIR-INIZCTEOSA-N 0 0 342.330 2.847 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc3ncccc23)n1 ZINC001458585476 1395511475 /nfs/dbraw/zinc/51/14/75/1395511475.db2.gz ZCFBXZDGJRUHLK-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN O=[N+]([O-])c1ccsc1NCc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC001458601234 1395518080 /nfs/dbraw/zinc/51/80/80/1395518080.db2.gz ZQECNPSOHAJILI-ZETCQYMHSA-N 0 0 347.322 2.985 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CCCNc3ncnc4[nH]ccc43)nc2c1 ZINC001458601386 1395518909 /nfs/dbraw/zinc/51/89/09/1395518909.db2.gz IKHWVJPPVVKFSF-UHFFFAOYSA-N 0 0 337.343 2.739 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@H](O)Cc3ccc(F)cc3)nc2c1 ZINC001458601793 1395518927 /nfs/dbraw/zinc/51/89/27/1395518927.db2.gz IJFSZCMCVXDGIA-CYBMUJFWSA-N 0 0 330.319 2.626 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)Cc2ccccc2F)c1 ZINC001458613096 1395522150 /nfs/dbraw/zinc/52/21/50/1395522150.db2.gz FJORLTWSRFYELD-CYBMUJFWSA-N 0 0 348.330 2.536 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001458630151 1395527483 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O=Cc1ccc(OCc2nnc(C(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC001458786370 1395590109 /nfs/dbraw/zinc/59/01/09/1395590109.db2.gz SQWKUSCAQHGLOV-UHFFFAOYSA-N 0 0 333.247 2.857 10 5 EFBERN O=[N+]([O-])c1ccc(CSc2nnnn2Cc2ccco2)cc1F ZINC001458902047 1395636833 /nfs/dbraw/zinc/63/68/33/1395636833.db2.gz OKUSKTGIQKADOX-UHFFFAOYSA-N 0 0 335.320 2.654 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COc1nccc(C(F)(F)F)n1 ZINC001458909221 1395640251 /nfs/dbraw/zinc/64/02/51/1395640251.db2.gz GWQMFQZALHUEBT-UHFFFAOYSA-N 0 0 329.234 2.991 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1OCCn1cnc(Br)n1 ZINC001458936192 1395648137 /nfs/dbraw/zinc/64/81/37/1395648137.db2.gz VMLNRSHZXKDWCR-UHFFFAOYSA-N 0 0 347.556 2.681 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCC2Cc3ccccc3C2)n1 ZINC001458979578 1395664777 /nfs/dbraw/zinc/66/47/77/1395664777.db2.gz FVZQPGUMFPIOFQ-UHFFFAOYSA-N 0 0 325.368 2.833 10 5 EFBERN COC(=O)c1ncccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001458987269 1395667885 /nfs/dbraw/zinc/66/78/85/1395667885.db2.gz KVQTYXYCNOUWNG-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN COC(=O)c1csc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)n1 ZINC001459020561 1395681452 /nfs/dbraw/zinc/68/14/52/1395681452.db2.gz YWLOKBAZJCNFJU-UHFFFAOYSA-N 0 0 344.352 2.750 10 5 EFBERN CCc1ncc(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)o1 ZINC001459026533 1395683093 /nfs/dbraw/zinc/68/30/93/1395683093.db2.gz JZNWQEQWYABJMS-UHFFFAOYSA-N 0 0 346.368 2.684 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cccnc1C(F)(F)F ZINC001459057281 1395693325 /nfs/dbraw/zinc/69/33/25/1395693325.db2.gz LORMETCOHDWIIJ-UHFFFAOYSA-N 0 0 339.229 2.965 10 5 EFBERN Cc1cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c2nccn2c1 ZINC001459112094 1395716134 /nfs/dbraw/zinc/71/61/34/1395716134.db2.gz ZQFBGHNVZUQZPJ-UHFFFAOYSA-N 0 0 340.339 2.920 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CSCCCO)o1 ZINC001459135077 1395727963 /nfs/dbraw/zinc/72/79/63/1395727963.db2.gz FDGLAIVXVMONIO-UHFFFAOYSA-N 0 0 329.765 2.914 10 5 EFBERN Cc1ccc(Cn2nnc3c(Cl)cccc3c2=O)cc1[N+](=O)[O-] ZINC001459141498 1395731392 /nfs/dbraw/zinc/73/13/92/1395731392.db2.gz ZUGZUSNEOUZRBN-UHFFFAOYSA-N 0 0 330.731 2.710 10 5 EFBERN Nc1ccn(CC(=O)c2ccc(-c3ccccc3)cc2)c(=O)c1[N+](=O)[O-] ZINC001459170047 1395744627 /nfs/dbraw/zinc/74/46/27/1395744627.db2.gz TUVSPNSYEIQOOT-UHFFFAOYSA-N 0 0 349.346 2.889 10 5 EFBERN CCCn1ncnc1Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001459268285 1395778643 /nfs/dbraw/zinc/77/86/43/1395778643.db2.gz BNKCYSHUCZSTQB-UHFFFAOYSA-N 0 0 347.766 2.557 10 5 EFBERN CCOCCOC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001459308744 1395792642 /nfs/dbraw/zinc/79/26/42/1395792642.db2.gz HYLADNJOVLEPOP-UHFFFAOYSA-N 0 0 326.368 2.751 10 5 EFBERN CCCN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001459485605 1395892722 /nfs/dbraw/zinc/89/27/22/1395892722.db2.gz PDBHACTVHZCREN-UHFFFAOYSA-N 0 0 341.327 2.629 10 5 EFBERN CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC001459648973 1395973759 /nfs/dbraw/zinc/97/37/59/1395973759.db2.gz FHKZFOPBCOWVEL-APHBMKBZSA-N 0 0 348.399 2.889 10 5 EFBERN CCCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC001459648980 1395974215 /nfs/dbraw/zinc/97/42/15/1395974215.db2.gz FHKZFOPBCOWVEL-UHOFOFEASA-N 0 0 348.399 2.889 10 5 EFBERN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H](C)O1 ZINC001459841951 1395986670 /nfs/dbraw/zinc/98/66/70/1395986670.db2.gz MUHTZMXIOBTOAH-AOOOYVTPSA-N 0 0 329.194 2.967 10 5 EFBERN COc1nc(C)cc(C)c1COC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001459874181 1395988782 /nfs/dbraw/zinc/98/87/82/1395988782.db2.gz FTKYERQTLNSQOR-UHFFFAOYSA-N 0 0 331.328 2.676 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1nc(C2CC2)cs1 ZINC001546112749 1395992952 /nfs/dbraw/zinc/99/29/52/1395992952.db2.gz CKYZCMBADAZQIB-UHFFFAOYSA-N 0 0 347.396 2.796 10 5 EFBERN CN=[S@](C)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC001460051336 1396001601 /nfs/dbraw/zinc/00/16/01/1396001601.db2.gz HCIHOMYFYQARKX-XMMPIXPASA-N 0 0 348.384 2.637 10 5 EFBERN O=C(OCc1ccncc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460050167 1396002008 /nfs/dbraw/zinc/00/20/08/1396002008.db2.gz QIWLXDPZYNTOTO-UHFFFAOYSA-N 0 0 342.286 2.672 10 5 EFBERN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(c1ccccc1)C1CC1 ZINC001460099121 1396004250 /nfs/dbraw/zinc/00/42/50/1396004250.db2.gz GNOLGEMURUKIPX-UHFFFAOYSA-N 0 0 349.350 2.985 10 5 EFBERN Cc1ccc(COC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001460284156 1396020061 /nfs/dbraw/zinc/02/00/61/1396020061.db2.gz FFEPWDQJAVRXBP-MRXNPFEDSA-N 0 0 329.308 2.786 10 5 EFBERN Cc1ccc(COC(=O)c2sccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC001460290788 1396020709 /nfs/dbraw/zinc/02/07/09/1396020709.db2.gz YCPPJWQIZYSSAN-UHFFFAOYSA-N 0 0 344.352 2.902 10 5 EFBERN CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001460320708 1396025906 /nfs/dbraw/zinc/02/59/06/1396025906.db2.gz KITJXKWWJYTNBR-HGMXIMQMSA-N 0 0 332.356 2.541 10 5 EFBERN Cc1nc([C@@](C)(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C2CC2)no1 ZINC001460427278 1396076039 /nfs/dbraw/zinc/07/60/39/1396076039.db2.gz ZTKUOHFJMYDRNP-KRWDZBQOSA-N 0 0 344.371 2.958 10 5 EFBERN COCc1ncc(COC(=O)c2cc(F)c([N+](=O)[O-])cc2F)s1 ZINC001460502872 1396152934 /nfs/dbraw/zinc/15/29/34/1396152934.db2.gz VASFXPSNEDKLKD-UHFFFAOYSA-N 0 0 344.295 2.833 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1CC ZINC001460752110 1396249973 /nfs/dbraw/zinc/24/99/73/1396249973.db2.gz CSFOLKUHZKDYRX-BLLLJJGKSA-N 0 0 342.342 2.847 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001460858102 1396265012 /nfs/dbraw/zinc/26/50/12/1396265012.db2.gz IKAMMEVFEFVUPS-UKRRQHHQSA-N 0 0 338.323 2.659 10 5 EFBERN Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1S(C)(=O)=O ZINC001460928346 1396269929 /nfs/dbraw/zinc/26/99/29/1396269929.db2.gz HXFCXYQVABRKEH-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN CCc1ccc2c(c1)CCN2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460927211 1396270094 /nfs/dbraw/zinc/27/00/94/1396270094.db2.gz APCPOHSBJPLBDF-INIZCTEOSA-N 0 0 342.395 2.960 10 5 EFBERN CN(Cc1ccn(C)n1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001460937973 1396270712 /nfs/dbraw/zinc/27/07/12/1396270712.db2.gz QXWORJAHERVMTD-UHFFFAOYSA-N 0 0 328.294 2.979 10 5 EFBERN CC(C)C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001461063173 1396287422 /nfs/dbraw/zinc/28/74/22/1396287422.db2.gz KUCDRRWWBXFNGQ-CYBMUJFWSA-N 0 0 344.452 2.942 10 5 EFBERN Cc1ccccc1C1=CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001546122074 1396294913 /nfs/dbraw/zinc/29/49/13/1396294913.db2.gz XRYQCRPHDRWUOM-GOSISDBHSA-N 0 0 338.363 2.862 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1Cc2cc(F)c(F)cc2C1 ZINC001461184132 1396297485 /nfs/dbraw/zinc/29/74/85/1396297485.db2.gz KAKXJJBJKCBRJJ-UHFFFAOYSA-N 0 0 344.277 2.905 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(F)cccc3c2)n1 ZINC001461420638 1396378584 /nfs/dbraw/zinc/37/85/84/1396378584.db2.gz BUVLSTGIIMAQFL-UHFFFAOYSA-N 0 0 329.291 2.751 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001461452086 1396381399 /nfs/dbraw/zinc/38/13/99/1396381399.db2.gz TZBGCIQKVPPADW-WDEREUQCSA-N 0 0 343.339 2.671 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccn(CC(F)F)n1 ZINC001461452938 1396381512 /nfs/dbraw/zinc/38/15/12/1396381512.db2.gz YNTZEGPBUQJFGO-UHFFFAOYSA-N 0 0 347.281 2.857 10 5 EFBERN COc1cc(CCC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)on1 ZINC001461450217 1396381740 /nfs/dbraw/zinc/38/17/40/1396381740.db2.gz ADSYQMMJLNNZME-UHFFFAOYSA-N 0 0 342.311 2.711 10 5 EFBERN CCOc1cc(NC(=O)c2ncc3ccccn32)ccc1[N+](=O)[O-] ZINC001461472142 1396381977 /nfs/dbraw/zinc/38/19/77/1396381977.db2.gz GEPBGZCXPNLUHK-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN Cc1cncc(/C=C/C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001461507374 1396385622 /nfs/dbraw/zinc/38/56/22/1396385622.db2.gz GFOXXBAKANPLKE-NSCUHMNNSA-N 0 0 329.268 2.825 10 5 EFBERN CC(C)(C(=O)Nc1cnc2ccnn2c1)c1ccc([N+](=O)[O-])cc1 ZINC001461551411 1396388362 /nfs/dbraw/zinc/38/83/62/1396388362.db2.gz QNFNTGHJKOUMPU-UHFFFAOYSA-N 0 0 325.328 2.554 10 5 EFBERN COc1ccnc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1F ZINC001461653461 1396398062 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341.367 2.655 10 5 EFBERN Cc1cc(F)cc(C(=O)Nc2nc3cccnc3n2C)c1[N+](=O)[O-] ZINC001466716931 1396777382 /nfs/dbraw/zinc/77/73/82/1396777382.db2.gz SYRGUQJRHIECGI-UHFFFAOYSA-N 0 0 329.291 2.576 10 5 EFBERN Cc1nnc(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n1C ZINC001466814118 1396787453 /nfs/dbraw/zinc/78/74/53/1396787453.db2.gz JDPIYLZMESATDN-UHFFFAOYSA-N 0 0 348.121 2.730 10 5 EFBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001466838832 1396789458 /nfs/dbraw/zinc/78/94/58/1396789458.db2.gz QZRJDUBVEBALIK-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN Cc1c(CNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001466894998 1396795042 /nfs/dbraw/zinc/79/50/42/1396795042.db2.gz VGVIZFIOUXBNFC-QLJPJBMISA-N 0 0 328.372 2.609 10 5 EFBERN CC(=O)SCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001467313052 1396839705 /nfs/dbraw/zinc/83/97/05/1396839705.db2.gz IWKSLJLBLHFUFL-UHFFFAOYSA-N 0 0 339.417 2.747 10 5 EFBERN Cc1cc(C)cc([C@@H](O)CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001467446326 1396856033 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O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001469264951 1397016411 /nfs/dbraw/zinc/01/64/11/1397016411.db2.gz PBYZBKUOQKEBFN-NVXWUHKLSA-N 0 0 348.305 2.866 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001469379843 1397027107 /nfs/dbraw/zinc/02/71/07/1397027107.db2.gz XNKQTYRVEPWPIM-JOYOIKCWSA-N 0 0 329.360 2.664 10 5 EFBERN CCOC(=O)[C@@H]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001469432433 1397031229 /nfs/dbraw/zinc/03/12/29/1397031229.db2.gz MIGWEHBHAMVWCM-UKRRQHHQSA-N 0 0 349.387 2.641 10 5 EFBERN CC[C@@H](NC(=O)N(C)Cc1cccc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001469431947 1397031511 /nfs/dbraw/zinc/03/15/11/1397031511.db2.gz BVKLQHDZPYJKOD-OAHLLOKOSA-N 0 0 344.371 2.988 10 5 EFBERN CC[C@@H](NC(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cccc([N+](=O)[O-])c1 ZINC001469433143 1397032273 /nfs/dbraw/zinc/03/22/73/1397032273.db2.gz WUABBMDPXALCSE-RMADRBSHSA-N 0 0 345.399 2.769 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(O)Cc1ccccc1 ZINC001469523362 1397034325 /nfs/dbraw/zinc/03/43/25/1397034325.db2.gz GNNUPRHANGXCAS-UHFFFAOYSA-N 0 0 331.328 2.704 10 5 EFBERN O=C(NC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001469515468 1397034959 /nfs/dbraw/zinc/03/49/59/1397034959.db2.gz NVFLLWWGVMMZKB-CYBMUJFWSA-N 0 0 348.362 2.998 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC001469615246 1397044613 /nfs/dbraw/zinc/04/46/13/1397044613.db2.gz KLWUIAJCSDRNCT-UHFFFAOYSA-N 0 0 338.323 2.736 10 5 EFBERN CC[C@H](NC(=O)NCCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC001469665795 1397047548 /nfs/dbraw/zinc/04/75/48/1397047548.db2.gz UPKWNDXOYJVWDI-WFASDCNBSA-N 0 0 349.387 2.688 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@H]1CO ZINC001469985275 1397063506 /nfs/dbraw/zinc/06/35/06/1397063506.db2.gz YLBCWXBFPQWYPI-LBPRGKRZSA-N 0 0 330.315 2.606 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2ccsc2C)cc1[N+](=O)[O-] ZINC001471041361 1397134820 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CN(CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001471491585 1397176528 /nfs/dbraw/zinc/17/65/28/1397176528.db2.gz XFZNKEPSQDNFGA-FLIBITNWSA-N 0 0 340.383 2.646 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCN(C)c1ccccn1 ZINC001471494871 1397177613 /nfs/dbraw/zinc/17/76/13/1397177613.db2.gz PKWMBBSMRDUENU-UHFFFAOYSA-N 0 0 346.362 2.694 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC2CCC3(COC3)CC2)cc1[N+](=O)[O-] ZINC001471516687 1397181239 /nfs/dbraw/zinc/18/12/39/1397181239.db2.gz CNMCAAKEVACEFF-UHFFFAOYSA-N 0 0 339.779 2.519 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](c2ncon2)C1 ZINC001471814678 1397210348 /nfs/dbraw/zinc/21/03/48/1397210348.db2.gz AEKIWCRPSXYCKO-GFCCVEGCSA-N 0 0 330.344 2.533 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC=CCC1 ZINC001471817377 1397211135 /nfs/dbraw/zinc/21/11/35/1397211135.db2.gz AYMNHTQKFDQXFL-GFCCVEGCSA-N 0 0 328.372 2.876 10 5 EFBERN CC(C)[C@H]1C[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471818631 1397211193 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EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnn(C2CCCC2)c1 ZINC001471958025 1397227160 /nfs/dbraw/zinc/22/71/60/1397227160.db2.gz HAUBIUQQJCHASW-UHFFFAOYSA-N 0 0 329.360 2.957 10 5 EFBERN C[S@](=O)(=NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001471988033 1397231255 /nfs/dbraw/zinc/23/12/55/1397231255.db2.gz FXHHNDHJKUYQCW-QKFKETGDSA-N 0 0 340.401 2.585 10 5 EFBERN O=C(N=[S@]1(=O)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001471988097 1397231518 /nfs/dbraw/zinc/23/15/18/1397231518.db2.gz GWDDPEDSPMCSGT-QHCPKHFHSA-N 0 0 334.328 2.957 10 5 EFBERN CCS(=O)(CC)=NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001471987020 1397231591 /nfs/dbraw/zinc/23/15/91/1397231591.db2.gz SFAYCDIVPYWJIU-UHFFFAOYSA-N 0 0 326.374 2.592 10 5 EFBERN O=C(N[C@H](c1ncccn1)C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001471990708 1397232103 /nfs/dbraw/zinc/23/21/03/1397232103.db2.gz QFNNLKVKHZJAIJ-HNNXBMFYSA-N 0 0 337.339 2.747 10 5 EFBERN Nc1ccc(C(=O)NCC[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001472072212 1397243909 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NC(=O)C[C@H]1CCCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001472718499 1397267150 /nfs/dbraw/zinc/26/71/50/1397267150.db2.gz CWKXIGOCOWDXHZ-SNVBAGLBSA-N 0 0 348.790 2.888 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2nccn2CCCc2ccccc2)n1 ZINC001472720347 1397268218 /nfs/dbraw/zinc/26/82/18/1397268218.db2.gz JHHOTJGPBNOZNZ-UHFFFAOYSA-N 0 0 340.387 2.770 10 5 EFBERN CCc1occc1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001472955090 1397272558 /nfs/dbraw/zinc/27/25/58/1397272558.db2.gz YQMHTCACIYQETQ-UHFFFAOYSA-N 0 0 343.383 2.708 10 5 EFBERN CSc1nc2ncn(Cc3ccc(C)c([N+](=O)[O-])c3)c(=O)c2s1 ZINC001472977303 1397275917 /nfs/dbraw/zinc/27/59/17/1397275917.db2.gz JUFOZLYAICJFNE-UHFFFAOYSA-N 0 0 348.409 2.840 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1OCc1ccc2oc(=O)n(C)c2c1 ZINC001472985545 1397276554 /nfs/dbraw/zinc/27/65/54/1397276554.db2.gz MBQGBFUAAUBPJN-UHFFFAOYSA-N 0 0 330.296 2.627 10 5 EFBERN C[C@]1(c2ccsc2)NC(=O)N(Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC001472984680 1397276671 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CCOCCOC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001473107361 1397283418 /nfs/dbraw/zinc/28/34/18/1397283418.db2.gz GQSATGZRQBLYDN-UHFFFAOYSA-N 0 0 349.387 2.754 10 5 EFBERN CCOC(=O)C1(NCCOc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001473239605 1397291381 /nfs/dbraw/zinc/29/13/81/1397291381.db2.gz OKXXBTMLAHBLLY-UHFFFAOYSA-N 0 0 336.388 2.829 10 5 EFBERN CC1(C)C[C@@H](O)CN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473722179 1397324760 /nfs/dbraw/zinc/32/47/60/1397324760.db2.gz MDKKMLFSQSOTKV-GFCCVEGCSA-N 0 0 343.221 2.950 10 5 EFBERN Cc1nccnc1[C@@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001473773888 1397330467 /nfs/dbraw/zinc/33/04/67/1397330467.db2.gz ZBBJTHDURYEGBF-SNVBAGLBSA-N 0 0 349.778 2.636 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@]12CCCOC2 ZINC001473900867 1397347958 /nfs/dbraw/zinc/34/79/58/1397347958.db2.gz HJIBHMGCDXIFOQ-SFHVURJKSA-N 0 0 347.415 2.877 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C1(C(C)C)CC1 ZINC001475163920 1397407661 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2.785 10 5 EFBERN CCC1(C(=O)NCC2CN(Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001494585650 1399389682 /nfs/dbraw/zinc/38/96/82/1399389682.db2.gz UIDLEIUPUCPLAF-UHFFFAOYSA-N 0 0 331.416 2.723 10 5 EFBERN O=C(NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1)C(C1CC1)C1CC1 ZINC001494616168 1399401452 /nfs/dbraw/zinc/40/14/52/1399401452.db2.gz GEYCFRPUZGGXMD-UHFFFAOYSA-N 0 0 343.427 2.579 10 5 EFBERN Cc1cccc(C(=O)N(C)CCN(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001496659515 1400906715 /nfs/dbraw/zinc/90/67/15/1400906715.db2.gz PYSLAZCQMPSIJL-UHFFFAOYSA-N 0 0 342.399 2.502 10 5 EFBERN Cc1cc(C(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001496693465 1400924535 /nfs/dbraw/zinc/92/45/35/1400924535.db2.gz UAYWVYWHNHLBEU-UHFFFAOYSA-N 0 0 348.428 2.564 10 5 EFBERN CC1(C(=O)NC/C=C/CNCc2csc([N+](=O)[O-])c2)CCCC1 ZINC001497644607 1401516935 /nfs/dbraw/zinc/51/69/35/1401516935.db2.gz OUQHUVQOLGJIHN-SNAWJCMRSA-N 0 0 337.445 2.999 10 5 EFBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H](CC)OC ZINC001498675047 1402237006 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C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)O ZINC001512235710 1413348949 /nfs/dbraw/zinc/34/89/49/1413348949.db2.gz CMQHPIKIMCJOFH-GFCCVEGCSA-N 0 0 345.403 2.613 10 5 EFBERN Nc1c(C(=O)N2CCc3ccncc32)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001556070071 1415050878 /nfs/dbraw/zinc/05/08/78/1415050878.db2.gz KOLXYXDTIHOHKW-UHFFFAOYSA-N 0 0 336.710 2.567 10 5 EFBERN CO[C@@H]1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2C1 ZINC001556174693 1415057413 /nfs/dbraw/zinc/05/74/13/1415057413.db2.gz SBSKDCCQSHMGMB-CQSZACIVSA-N 0 0 327.340 2.543 10 5 EFBERN C/C=C\C[C@H](CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001556302250 1415062892 /nfs/dbraw/zinc/06/28/92/1415062892.db2.gz JARBMPHWFTZPST-PYLYLYNFSA-N 0 0 341.367 2.714 10 5 EFBERN O=C(N[C@H](CCO)c1ccco1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001556306947 1415063352 /nfs/dbraw/zinc/06/33/52/1415063352.db2.gz NVKSLMRQFOAGNZ-QLFBSQMISA-N 0 0 330.340 2.531 10 5 EFBERN Cn1c(=O)[nH]c2ccc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])cc21 ZINC001556315911 1415064192 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/nfs/dbraw/zinc/09/40/75/1415094075.db2.gz BODOCTZGJYGUHT-UHFFFAOYSA-N 0 0 325.324 2.900 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(O)c(F)cc1F ZINC001556919671 1415094564 /nfs/dbraw/zinc/09/45/64/1415094564.db2.gz KYTPLGXFZZBIMF-UHFFFAOYSA-N 0 0 338.266 2.986 10 5 EFBERN COc1cc(C(=O)Nc2cc(O)c(F)cc2F)c([N+](=O)[O-])cc1F ZINC001556919940 1415095036 /nfs/dbraw/zinc/09/50/36/1415095036.db2.gz WWNGHRLEJSVZBB-UHFFFAOYSA-N 0 0 342.229 2.979 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001556924069 1415095886 /nfs/dbraw/zinc/09/58/86/1415095886.db2.gz NUBKIUFDBLVAHS-JTQLQIEISA-N 0 0 344.371 2.775 10 5 EFBERN CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001556933543 1415096142 /nfs/dbraw/zinc/09/61/42/1415096142.db2.gz ZTZUBJBOPUKDPW-UHFFFAOYSA-N 0 0 343.343 2.692 10 5 EFBERN CCON(Cc1ccccc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001556937325 1415096874 /nfs/dbraw/zinc/09/68/74/1415096874.db2.gz KFWMAMWVZCRCPE-UHFFFAOYSA-N 0 0 329.356 2.987 10 5 EFBERN COc1c(C(=O)Nc2ccc([S@](C)(=N)=O)cc2)cccc1[N+](=O)[O-] ZINC001556986586 1415100243 /nfs/dbraw/zinc/10/02/43/1415100243.db2.gz YULXLBTVQGBLNA-XMMPIXPASA-N 0 0 349.368 2.891 10 5 EFBERN O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001557002547 1415100727 /nfs/dbraw/zinc/10/07/27/1415100727.db2.gz ZGNNCWPMKVMOAZ-MNOVXSKESA-N 0 0 334.706 2.527 10 5 EFBERN COc1ccc(CC(=O)NCc2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC001557017112 1415101729 /nfs/dbraw/zinc/10/17/29/1415101729.db2.gz LTUSTTDJMDJXSD-UHFFFAOYSA-N 0 0 335.747 2.511 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COCc2ccccc21 ZINC001557079544 1415103806 /nfs/dbraw/zinc/10/38/06/1415103806.db2.gz ZFGXXYCZSASZGK-MRXNPFEDSA-N 0 0 327.340 2.638 10 5 EFBERN O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001557117923 1415106430 /nfs/dbraw/zinc/10/64/30/1415106430.db2.gz VAGNAHJQQVBYSC-UHFFFAOYSA-N 0 0 338.241 2.625 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)c1c(F)cccc1F ZINC001557117978 1415106524 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EFBERN Cc1n[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC001557472495 1415127961 /nfs/dbraw/zinc/12/79/61/1415127961.db2.gz XEXDBIVLQFSADS-UHFFFAOYSA-N 0 0 329.143 2.863 10 5 EFBERN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)oc1C ZINC001557552521 1415131252 /nfs/dbraw/zinc/13/12/52/1415131252.db2.gz FJUOXICECCXNSP-UHFFFAOYSA-N 0 0 327.300 2.638 10 5 EFBERN C[C@@H]1c2ccccc2OCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001557573047 1415131927 /nfs/dbraw/zinc/13/19/27/1415131927.db2.gz PKBQIIFSJLIABB-SNVBAGLBSA-N 0 0 345.330 2.912 10 5 EFBERN O=C(Nc1ccccc1-c1ncco1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001557587691 1415133052 /nfs/dbraw/zinc/13/30/52/1415133052.db2.gz XXFVATHQJJBJCQ-OAHLLOKOSA-N 0 0 339.307 2.922 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2nccn2c1 ZINC001557620456 1415134284 /nfs/dbraw/zinc/13/42/84/1415134284.db2.gz WVROJMHCVSCINL-UHFFFAOYSA-N 0 0 338.323 2.844 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2nc(F)ccc21 ZINC001557699106 1415138828 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EFBERN Cc1noc2ncc(C(=O)NCc3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC001557987431 1415153937 /nfs/dbraw/zinc/15/39/37/1415153937.db2.gz XTMJEJKCRQJJRD-UHFFFAOYSA-N 0 0 326.312 2.678 10 5 EFBERN CN1Cc2ccccc2[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557983159 1415153991 /nfs/dbraw/zinc/15/39/91/1415153991.db2.gz ZMQPFKOZARBVKF-INIZCTEOSA-N 0 0 329.331 2.650 10 5 EFBERN O=C(NCc1cc2c([nH]c1=O)CCCC2)c1cc([N+](=O)[O-])ccc1F ZINC001558012304 1415155341 /nfs/dbraw/zinc/15/53/41/1415155341.db2.gz ARFJJOFRABAXCZ-UHFFFAOYSA-N 0 0 345.330 2.643 10 5 EFBERN O=C(NCc1cc(C(F)(F)F)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC001558044255 1415157162 /nfs/dbraw/zinc/15/71/62/1415157162.db2.gz ZRULONLFDLXQCA-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2cncnc2[C@@H](C)C1 ZINC001558082026 1415158712 /nfs/dbraw/zinc/15/87/12/1415158712.db2.gz FUYCMCLGPYUVEO-JTQLQIEISA-N 0 0 344.396 2.866 10 5 EFBERN C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)Cc2cncnc21 ZINC001558081812 1415158760 /nfs/dbraw/zinc/15/87/60/1415158760.db2.gz WQGDWMVGQZAEGB-JTQLQIEISA-N 0 0 337.339 2.626 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)Cc2cncnc21 ZINC001558081664 1415158913 /nfs/dbraw/zinc/15/89/13/1415158913.db2.gz QUPYTBFHKUWXGB-SECBINFHSA-N 0 0 332.747 2.798 10 5 EFBERN C[C@@H](C(=O)NCCCN(C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC001558090413 1415159622 /nfs/dbraw/zinc/15/96/22/1415159622.db2.gz AUETXFRYTIGEOK-CQSZACIVSA-N 0 0 342.399 2.736 10 5 EFBERN O=C(NC[C@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001558090249 1415159706 /nfs/dbraw/zinc/15/97/06/1415159706.db2.gz WQXHFBPCFAMHTD-SECBINFHSA-N 0 0 347.749 2.565 10 5 EFBERN Cc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC001558130497 1415161339 /nfs/dbraw/zinc/16/13/39/1415161339.db2.gz GARHKRDJJDINDS-UHFFFAOYSA-N 0 0 334.763 2.680 10 5 EFBERN COc1nscc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001558176185 1415164517 /nfs/dbraw/zinc/16/45/17/1415164517.db2.gz VVFYNMUOAUWJOI-UHFFFAOYSA-N 0 0 336.373 2.891 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001558202950 1415165448 /nfs/dbraw/zinc/16/54/48/1415165448.db2.gz GXOREUSLWWGVMD-OAHLLOKOSA-N 0 0 348.786 2.890 10 5 EFBERN CC(C)c1cc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)[nH]n1 ZINC001558223342 1415166943 /nfs/dbraw/zinc/16/69/43/1415166943.db2.gz ZDLBGBGBYGPQMH-NSHDSACASA-N 0 0 331.376 2.789 10 5 EFBERN CCOC1CC2(C[C@H]2NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001558254843 1415168363 /nfs/dbraw/zinc/16/83/63/1415168363.db2.gz WOKXCBFDANAXPB-YAKODHLKSA-N 0 0 339.779 2.518 10 5 EFBERN O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001558326527 1415172972 /nfs/dbraw/zinc/17/29/72/1415172972.db2.gz CVTHTSLAGFMVFH-ZFWWWQNUSA-N 0 0 334.278 2.936 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1csc(-c2ccc(F)cc2)n1 ZINC001558335557 1415174073 /nfs/dbraw/zinc/17/40/73/1415174073.db2.gz HUYGSIWMRLMZKS-UHFFFAOYSA-N 0 0 333.304 2.833 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(Oc2cccnc2)cc1 ZINC001558335109 1415174226 /nfs/dbraw/zinc/17/42/26/1415174226.db2.gz AHRVTTVLULIMJT-UHFFFAOYSA-N 0 0 325.284 2.758 10 5 EFBERN CSc1ccc(C(=O)N2CCC[C@@H](c3ncon3)C2)cc1[N+](=O)[O-] ZINC001558449549 1415179903 /nfs/dbraw/zinc/17/99/03/1415179903.db2.gz MOEQEQFMWWSGEJ-LLVKDONJSA-N 0 0 348.384 2.720 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ncon3)C2)c1 ZINC001558450845 1415180791 /nfs/dbraw/zinc/18/07/91/1415180791.db2.gz YMLKVWSUKPUWNN-JTQLQIEISA-N 0 0 348.384 2.720 10 5 EFBERN CN(C)c1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC001558464601 1415182018 /nfs/dbraw/zinc/18/20/18/1415182018.db2.gz JPPPBFVIBLRHJA-UHFFFAOYSA-N 0 0 336.735 2.667 10 5 EFBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)c(C)c1OC ZINC001558487470 1415182577 /nfs/dbraw/zinc/18/25/77/1415182577.db2.gz FYHHKEOJIVFBMZ-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN Cc1nc(CC2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)no1 ZINC001558471484 1415182756 /nfs/dbraw/zinc/18/27/56/1415182756.db2.gz MVFQTROGTHGSLC-UHFFFAOYSA-N 0 0 348.334 2.520 10 5 EFBERN O=C(NCc1cccc2c1OCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001558505397 1415184568 /nfs/dbraw/zinc/18/45/68/1415184568.db2.gz RZOGXONNVNHJTB-UHFFFAOYSA-N 0 0 337.335 2.941 10 5 EFBERN COc1nscc1CN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001558564989 1415189668 /nfs/dbraw/zinc/18/96/68/1415189668.db2.gz BXGCAQMZLRLSBW-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001558626554 1415192741 /nfs/dbraw/zinc/19/27/41/1415192741.db2.gz YEGOVHYIPARMRA-INIZCTEOSA-N 0 0 346.412 2.871 10 5 EFBERN C[C@@H]1Cc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc2O1 ZINC001558617682 1415192859 /nfs/dbraw/zinc/19/28/59/1415192859.db2.gz SLMAZPVHJQQVOT-MRVPVSSYSA-N 0 0 331.303 2.892 10 5 EFBERN Cc1noc(C(F)F)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001558676122 1415193864 /nfs/dbraw/zinc/19/38/64/1415193864.db2.gz MWZGNUQBSFLTRD-UHFFFAOYSA-N 0 0 326.259 2.972 10 5 EFBERN Cc1ccc(F)c(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001558676512 1415193983 /nfs/dbraw/zinc/19/39/83/1415193983.db2.gz DNHISJUCYNXIDS-UHFFFAOYSA-N 0 0 333.319 2.950 10 5 EFBERN C[C@H](O)C(C)(C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001558686034 1415195451 /nfs/dbraw/zinc/19/54/51/1415195451.db2.gz IMHBXUYLSJLPQK-UWVGGRQHSA-N 0 0 344.795 2.539 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC001558749178 1415198692 /nfs/dbraw/zinc/19/86/92/1415198692.db2.gz FQPXZKNJRJDMCY-RHSMWYFYSA-N 0 0 346.770 2.565 10 5 EFBERN Cc1cc(NC(=O)[C@@]2(O)CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC001558808570 1415203161 /nfs/dbraw/zinc/20/31/61/1415203161.db2.gz PEDUXNXHEHHQCI-GOSISDBHSA-N 0 0 326.352 2.762 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001558814532 1415203632 /nfs/dbraw/zinc/20/36/32/1415203632.db2.gz VLUSKLKIGBNYIL-JSGCOSHPSA-N 0 0 338.791 2.818 10 5 EFBERN CN(CCc1nc2ccccc2[nH]1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC001559000853 1415217018 /nfs/dbraw/zinc/21/70/18/1415217018.db2.gz DMYAIFBGEAZTMD-UHFFFAOYSA-N 0 0 330.369 2.847 10 5 EFBERN CC(=O)N1CCc2cc(Nc3c(Cl)cncc3[N+](=O)[O-])ccc21 ZINC001559054745 1415221670 /nfs/dbraw/zinc/22/16/70/1415221670.db2.gz HAHABEAWQVZRSL-UHFFFAOYSA-N 0 0 332.747 2.718 10 5 EFBERN CCOCCCCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559074762 1415223013 /nfs/dbraw/zinc/22/30/13/1415223013.db2.gz DXICEWSVHBKVFB-UHFFFAOYSA-N 0 0 334.332 2.702 10 5 EFBERN CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1c([N+](=O)[O-])cnn1C ZINC001559136654 1415225559 /nfs/dbraw/zinc/22/55/59/1415225559.db2.gz ZJGHVHBEZHSFPK-NSHDSACASA-N 0 0 341.412 2.824 10 5 EFBERN O=c1[nH]ccc(NCCOc2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] ZINC001559138349 1415226668 /nfs/dbraw/zinc/22/66/68/1415226668.db2.gz ILBWAHQNEFVAJX-UHFFFAOYSA-N 0 0 344.249 2.600 10 5 EFBERN COc1cc(Br)cc(Nc2nn(C)cc2[N+](=O)[O-])c1 ZINC001559155964 1415227611 /nfs/dbraw/zinc/22/76/11/1415227611.db2.gz DMAQYBMWBVMAJY-UHFFFAOYSA-N 0 0 327.138 2.843 10 5 EFBERN COc1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC001559191405 1415228561 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EFBERN Cc1cc(=O)[nH]c(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 ZINC001559227524 1415231864 /nfs/dbraw/zinc/23/18/64/1415231864.db2.gz TZUFEAXMAAYNIV-UHFFFAOYSA-N 0 0 346.734 2.608 10 5 EFBERN CCOC(=O)C1=CC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001559236268 1415232272 /nfs/dbraw/zinc/23/22/72/1415232272.db2.gz CMCSLTJWOQHDJC-LBPRGKRZSA-N 0 0 345.330 2.768 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@](O)(CC)C2)cc1C ZINC001559254897 1415233857 /nfs/dbraw/zinc/23/38/57/1415233857.db2.gz AQKDYBLNZYGESD-QGZVFWFLSA-N 0 0 336.388 2.821 10 5 EFBERN CC(C)n1cc(CNc2cc(Cl)ccc2[N+](=O)[O-])c(=O)[nH]c1=O ZINC001559266308 1415234843 /nfs/dbraw/zinc/23/48/43/1415234843.db2.gz WOEKZTSEVYRENP-UHFFFAOYSA-N 0 0 338.751 2.704 10 5 EFBERN CCc1ccc(CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC001559267580 1415235108 /nfs/dbraw/zinc/23/51/08/1415235108.db2.gz WSJIEJANBLAASZ-UHFFFAOYSA-N 0 0 332.429 2.936 10 5 EFBERN CC[C@@H]1COCCN1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559272824 1415235433 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Cn1cnc([N+](=O)[O-])c1NC1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001559283409 1415236464 /nfs/dbraw/zinc/23/64/64/1415236464.db2.gz HVQWMGFXGYYNGD-UHFFFAOYSA-N 0 0 341.293 2.648 10 5 EFBERN O=[N+]([O-])c1ccc2nc(NCc3noc4c3COCC4)sc2c1 ZINC001559286555 1415236578 /nfs/dbraw/zinc/23/65/78/1415236578.db2.gz DZOSJAAENNNXFG-UHFFFAOYSA-N 0 0 332.341 2.877 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](CCO)C3CCCC3)cc2N1 ZINC001559290379 1415237030 /nfs/dbraw/zinc/23/70/30/1415237030.db2.gz MZRCBBWNTSJSGN-CYBMUJFWSA-N 0 0 333.388 2.833 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](CCO)C3CCCC3)cc2N1 ZINC001559290380 1415237061 /nfs/dbraw/zinc/23/70/61/1415237061.db2.gz MZRCBBWNTSJSGN-ZDUSSCGKSA-N 0 0 333.388 2.833 10 5 EFBERN CC(C)(C)OC(=O)NC1(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001559289869 1415237154 /nfs/dbraw/zinc/23/71/54/1415237154.db2.gz NZWKTMWQKCVPCK-UHFFFAOYSA-N 0 0 326.328 2.598 10 5 EFBERN CC(C)(C)OC(=O)NC1(CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC001559291282 1415237469 /nfs/dbraw/zinc/23/74/69/1415237469.db2.gz VVYDOEVGZTUNSU-UHFFFAOYSA-N 0 0 342.783 2.534 10 5 EFBERN Cc1nc(N[C@@H](CO)c2ccccc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001559287580 1415237614 /nfs/dbraw/zinc/23/76/14/1415237614.db2.gz WSHLEFYSRVWBLZ-NSHDSACASA-N 0 0 342.277 2.858 10 5 EFBERN Cc1cc(-n2cccn2)ccc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001559295919 1415237844 /nfs/dbraw/zinc/23/78/44/1415237844.db2.gz TUZZBPZJIBNBQT-UHFFFAOYSA-N 0 0 325.328 2.802 10 5 EFBERN CCc1noc([C@@H]2CC[C@H](Nc3c([N+](=O)[O-])nc(C)n3CC)C2)n1 ZINC001559294879 1415238065 /nfs/dbraw/zinc/23/80/65/1415238065.db2.gz DMPGILDCQBDICX-MNOVXSKESA-N 0 0 334.380 2.813 10 5 EFBERN Cc1cnc(Oc2cc3c(cc2[N+](=O)[O-])OCCO3)c([N+](=O)[O-])c1 ZINC001559301547 1415238139 /nfs/dbraw/zinc/23/81/39/1415238139.db2.gz CKVWABOFFRXSHY-UHFFFAOYSA-N 0 0 333.256 2.770 10 5 EFBERN CN(c1cccc(CNc2ccsc2[N+](=O)[O-])c1)S(C)(=O)=O ZINC001559298605 1415238280 /nfs/dbraw/zinc/23/82/80/1415238280.db2.gz AQLFTVHVKDXJED-UHFFFAOYSA-N 0 0 341.414 2.664 10 5 EFBERN CO[C@@H](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 ZINC001559311625 1415238588 /nfs/dbraw/zinc/23/85/88/1415238588.db2.gz BJCMMKHKWVNYDQ-AWEZNQCLSA-N 0 0 344.298 2.718 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001559304586 1415238661 /nfs/dbraw/zinc/23/86/61/1415238661.db2.gz ANCIBEKEIFRUJI-WDEREUQCSA-N 0 0 330.344 2.682 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(Oc2cncc(F)c2)c([N+](=O)[O-])c1 ZINC001559306356 1415238687 /nfs/dbraw/zinc/23/86/87/1415238687.db2.gz QQAGZCRKEVHJLR-UHFFFAOYSA-N 0 0 342.286 2.886 10 5 EFBERN CC(C)(C)OC(=O)N1CC2(C1)CN(c1c(F)cccc1[N+](=O)[O-])C2 ZINC001559304291 1415239107 /nfs/dbraw/zinc/23/91/07/1415239107.db2.gz RTMHDDIZYCRTOI-UHFFFAOYSA-N 0 0 337.351 2.791 10 5 EFBERN COc1ccc(-c2nc(SCc3onc(C)c3[N+](=O)[O-])n[nH]2)cc1 ZINC001559332831 1415239659 /nfs/dbraw/zinc/23/96/59/1415239659.db2.gz VBTZOUGFKKBJGU-UHFFFAOYSA-N 0 0 347.356 2.977 10 5 EFBERN O=c1c([N+](=O)[O-])cccn1COc1ccc(Br)cc1 ZINC001559368975 1415240935 /nfs/dbraw/zinc/24/09/35/1415240935.db2.gz OKWQBEGHBSZQRL-UHFFFAOYSA-N 0 0 325.118 2.556 10 5 EFBERN Cc1nn(CCOc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(=O)o1 ZINC001559363296 1415241362 /nfs/dbraw/zinc/24/13/62/1415241362.db2.gz MXHURYIRMZDLBL-UHFFFAOYSA-N 0 0 341.323 2.799 10 5 EFBERN C[C@@H]1C[C@H](Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001559366996 1415241410 /nfs/dbraw/zinc/24/14/10/1415241410.db2.gz TVJIUNYVHYWAGO-GDNZZTSVSA-N 0 0 333.344 2.615 10 5 EFBERN Cc1nn(CC(=O)NC2CCCCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC001559378008 1415242015 /nfs/dbraw/zinc/24/20/15/1415242015.db2.gz PXAJHXVDQIIBFT-UHFFFAOYSA-N 0 0 345.403 2.877 10 5 EFBERN Cc1ccc(CSc2nnc(-c3ccccn3)n2N)cc1[N+](=O)[O-] ZINC001559371420 1415242054 /nfs/dbraw/zinc/24/20/54/1415242054.db2.gz NITOOPXDVVNTCO-UHFFFAOYSA-N 0 0 342.384 2.563 10 5 EFBERN COc1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1C ZINC001559389034 1415242516 /nfs/dbraw/zinc/24/25/16/1415242516.db2.gz KSOJOVUBWDZKKT-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN COC(=O)c1ccc(OCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC001559396338 1415242523 /nfs/dbraw/zinc/24/25/23/1415242523.db2.gz HBIYCQJHPJSTGO-UHFFFAOYSA-N 0 0 331.324 2.977 10 5 EFBERN Cn1cc(COc2cc(Cl)cnc2Br)c([N+](=O)[O-])n1 ZINC001559393061 1415242686 /nfs/dbraw/zinc/24/26/86/1415242686.db2.gz KNLGBWVFTCMYQO-UHFFFAOYSA-N 0 0 347.556 2.718 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCc2noc(-c3cncc(C)c3)n2)c1 ZINC001559430122 1415245159 /nfs/dbraw/zinc/24/51/59/1415245159.db2.gz XBLJYZGKIZLJFQ-UHFFFAOYSA-N 0 0 342.311 2.936 10 5 EFBERN CCn1nc(C)c(C(=O)COc2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC001559461904 1415248084 /nfs/dbraw/zinc/24/80/84/1415248084.db2.gz XIQRFQBEASVMFS-UHFFFAOYSA-N 0 0 342.714 2.569 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnn(Cc2ccc3ccccc3n2)n1 ZINC001559473955 1415248456 /nfs/dbraw/zinc/24/84/56/1415248456.db2.gz OKGOHYXVBVSABQ-UHFFFAOYSA-N 0 0 332.323 2.845 10 5 EFBERN C[C@@H](NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cn[nH]c1 ZINC001559732150 1415254432 /nfs/dbraw/zinc/25/44/32/1415254432.db2.gz SPHGICKWDZRKKC-MRVPVSSYSA-N 0 0 348.750 2.872 10 5 EFBERN CNC(=O)CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001560087560 1415262933 /nfs/dbraw/zinc/26/29/33/1415262933.db2.gz HFBZKPLIIIQKOW-UHFFFAOYSA-N 0 0 347.802 2.996 10 5 EFBERN Cn1cc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC001560217790 1415268685 /nfs/dbraw/zinc/26/86/85/1415268685.db2.gz OIDGUQXIAFAGCC-LLVKDONJSA-N 0 0 335.795 2.756 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2ncccc2C)c1 ZINC001560221548 1415268838 /nfs/dbraw/zinc/26/88/38/1415268838.db2.gz YTRROEVDIOSGGN-LBPRGKRZSA-N 0 0 329.356 2.936 10 5 EFBERN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001560230990 1415269264 /nfs/dbraw/zinc/26/92/64/1415269264.db2.gz KNNDNXFBVMDOBH-LBPRGKRZSA-N 0 0 349.460 2.895 10 5 EFBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(S(N)(=O)=O)cc1 ZINC001560490350 1415286534 /nfs/dbraw/zinc/28/65/34/1415286534.db2.gz URZGCBYLEDVCMV-XFXZXTDPSA-N 0 0 347.396 2.758 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@]1(C)CC1(F)F ZINC001561441079 1415315988 /nfs/dbraw/zinc/31/59/88/1415315988.db2.gz NSMDXTWKTMVHNS-LBPRGKRZSA-N 0 0 349.311 2.551 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@@H](CO)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001564376385 1415376004 /nfs/dbraw/zinc/37/60/04/1415376004.db2.gz KLMVXGXKIKXVEL-DUVNUKRYSA-N 0 0 335.404 2.848 10 5 EFBERN CC[C@@H](NC(=O)N1CC[C@H](C)[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC001564377076 1415376258 /nfs/dbraw/zinc/37/62/58/1415376258.db2.gz ZMRYYEYSVNMTFU-JGGQBBKZSA-N 0 0 335.404 2.706 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@H](CO)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001564376388 1415376358 /nfs/dbraw/zinc/37/63/58/1415376358.db2.gz KLMVXGXKIKXVEL-XNRPHZJLSA-N 0 0 335.404 2.848 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@H](CO)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001564376387 1415376552 /nfs/dbraw/zinc/37/65/52/1415376552.db2.gz KLMVXGXKIKXVEL-JGGQBBKZSA-N 0 0 335.404 2.848 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C2 ZINC001564490052 1415378258 /nfs/dbraw/zinc/37/82/58/1415378258.db2.gz YLFLKJNGIBWFSC-XJKSGUPXSA-N 0 0 335.429 2.532 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CCCC12CC2 ZINC001564658889 1415381077 /nfs/dbraw/zinc/38/10/77/1415381077.db2.gz VYRXIJUCOGMNML-CYBMUJFWSA-N 0 0 329.360 2.603 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC001565214274 1415391860 /nfs/dbraw/zinc/39/18/60/1415391860.db2.gz QTRGFVMKNNDBAP-INIZCTEOSA-N 0 0 349.412 2.672 10 5 EFBERN C[C@H](NC(=O)N(C)Cc1cccc(=O)[nH]1)c1ccccc1[N+](=O)[O-] ZINC001565297180 1415392329 /nfs/dbraw/zinc/39/23/29/1415392329.db2.gz FXYCJHSAXZVFRE-NSHDSACASA-N 0 0 330.344 2.598 10 5 EFBERN CCc1[nH]ccc1C(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001565502403 1415399556 /nfs/dbraw/zinc/39/95/56/1415399556.db2.gz QYHXXUZZKUPRGJ-UHFFFAOYSA-N 0 0 348.428 2.505 10 5 EFBERN Cc1cc(C)c(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC001565501280 1415399918 /nfs/dbraw/zinc/39/99/18/1415399918.db2.gz RAEZCBOOPNIQBR-UHFFFAOYSA-N 0 0 343.383 2.763 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F ZINC001565566078 1415403730 /nfs/dbraw/zinc/40/37/30/1415403730.db2.gz HNPNYYPROUHSKO-UHFFFAOYSA-N 0 0 346.318 2.803 10 5 EFBERN Cc1ccc(N(C)CCNC(=O)c2ncoc2C(C)C)c([N+](=O)[O-])c1 ZINC001565599117 1415405993 /nfs/dbraw/zinc/40/59/93/1415405993.db2.gz HTOFUTNJGRHWAD-UHFFFAOYSA-N 0 0 346.387 2.881 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC001565602473 1415406950 /nfs/dbraw/zinc/40/69/50/1415406950.db2.gz CXMZRBOIJJZZDA-UHFFFAOYSA-N 0 0 340.339 2.704 10 5 EFBERN O=C(/C=C/C=C(Cl)Cl)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001565627743 1415407429 /nfs/dbraw/zinc/40/74/29/1415407429.db2.gz ZBGKAFZTSQPDLK-HNQUOIGGSA-N 0 0 331.155 2.965 10 5 EFBERN CC(C)(C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001565678279 1415409944 /nfs/dbraw/zinc/40/99/44/1415409944.db2.gz YALMQPWOFVILNL-UHFFFAOYSA-N 0 0 346.391 2.517 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC001565784349 1415415292 /nfs/dbraw/zinc/41/52/92/1415415292.db2.gz SQEZOBMMEBJKSB-CYBMUJFWSA-N 0 0 340.383 2.576 10 5 EFBERN CC(C)[C@@H](O)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001565785198 1415416065 /nfs/dbraw/zinc/41/60/65/1415416065.db2.gz CZGAOXBSYGZBLA-AWEZNQCLSA-N 0 0 328.796 2.704 10 5 EFBERN CC(C)[C@H](O)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001565785199 1415416258 /nfs/dbraw/zinc/41/62/58/1415416258.db2.gz CZGAOXBSYGZBLA-CQSZACIVSA-N 0 0 328.796 2.704 10 5 EFBERN CNc1ncccc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001565827214 1415422658 /nfs/dbraw/zinc/42/26/58/1415422658.db2.gz CFCXJVMGJHQUPT-UHFFFAOYSA-N 0 0 343.387 2.572 10 5 EFBERN CCc1nc[nH]c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001566060410 1415496479 /nfs/dbraw/zinc/49/64/79/1415496479.db2.gz WBCQQUJKLDAVAX-UHFFFAOYSA-N 0 0 344.371 2.564 10 5 EFBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001566182387 1415534018 /nfs/dbraw/zinc/53/40/18/1415534018.db2.gz LQNBZTWILJPXMA-UHFFFAOYSA-N 0 0 347.758 2.664 10 5 EFBERN CN1CCOc2ccc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])cc21 ZINC001566227615 1415535657 /nfs/dbraw/zinc/53/56/57/1415535657.db2.gz FGXQHRYGFIJUIK-UHFFFAOYSA-N 0 0 345.330 2.744 10 5 EFBERN COc1cccc([C@H](O)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001566338638 1415541481 /nfs/dbraw/zinc/54/14/81/1415541481.db2.gz PKLASVWNNBMVQL-MRXNPFEDSA-N 0 0 344.367 2.684 10 5 EFBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F ZINC001566340014 1415541670 /nfs/dbraw/zinc/54/16/70/1415541670.db2.gz KMGBQCXLSKDLCB-CVEARBPZSA-N 0 0 332.331 2.976 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)c1ccccc1 ZINC001566386231 1415545099 /nfs/dbraw/zinc/54/50/99/1415545099.db2.gz CMJBCTALVYBFGQ-ZDUSSCGKSA-N 0 0 332.331 2.548 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1COc2ccccc2C1=O ZINC001566425292 1415545644 /nfs/dbraw/zinc/54/56/44/1415545644.db2.gz NOUQHNDGXFUVNP-ZDUSSCGKSA-N 0 0 340.335 2.585 10 5 EFBERN COc1ccc(NC(=O)[C@H](C)OCc2ccncc2)cc1[N+](=O)[O-] ZINC001566754217 1415763625 /nfs/dbraw/zinc/76/36/25/1415763625.db2.gz KMKPNIOUAHBQRP-NSHDSACASA-N 0 0 331.328 2.542 10 5 EFBERN COc1ccc([C@@H](CO)N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001566969480 1415881966 /nfs/dbraw/zinc/88/19/66/1415881966.db2.gz LACPMQMNKTVXGT-QGZVFWFLSA-N 0 0 344.367 2.717 10 5 EFBERN CSc1ccc(O)c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001567174750 1415969787 /nfs/dbraw/zinc/96/97/87/1415969787.db2.gz MMXIWLTWDIOJFJ-UHFFFAOYSA-N 0 0 332.381 2.995 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2cc[nH]cc-2n1 ZINC001567204236 1415995075 /nfs/dbraw/zinc/99/50/75/1415995075.db2.gz HZEVLACOTXTIBN-UHFFFAOYSA-N 0 0 331.719 2.701 10 5 EFBERN O=C(CCc1cccc(O)c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001567245596 1416013026 /nfs/dbraw/zinc/01/30/26/1416013026.db2.gz FCAOGELYDBSVED-UHFFFAOYSA-N 0 0 326.312 2.748 10 5 EFBERN CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)C(=O)C2 ZINC001567245781 1416013228 /nfs/dbraw/zinc/01/32/28/1416013228.db2.gz MKNYUKSGRYFBFW-XLFHBGCDSA-N 0 0 342.355 2.805 10 5 EFBERN C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC001567364929 1416095178 /nfs/dbraw/zinc/09/51/78/1416095178.db2.gz OAIWNSMEMQINHX-NSHDSACASA-N 0 0 340.383 2.942 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1c1cccn1C ZINC001567438249 1416138052 /nfs/dbraw/zinc/13/80/52/1416138052.db2.gz DSOIZWNVLNDXSU-MRXNPFEDSA-N 0 0 347.346 2.595 10 5 EFBERN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001567670998 1416240518 /nfs/dbraw/zinc/24/05/18/1416240518.db2.gz MYTDVHOIFPEHJJ-OTYXRUKQSA-N 0 0 335.747 2.554 10 5 EFBERN CCC1(C(=O)NC2CN(Cc3ccccc3[N+](=O)[O-])C2)CCCC1 ZINC001567811266 1416289175 /nfs/dbraw/zinc/28/91/75/1416289175.db2.gz DBULYRRXPMRFLB-UHFFFAOYSA-N 0 0 331.416 2.866 10 5 EFBERN CC1(C(=O)NCC2CN(Cc3csc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001567839904 1416295165 /nfs/dbraw/zinc/29/51/65/1416295165.db2.gz AMLFTCMAQASKTB-UHFFFAOYSA-N 0 0 335.429 2.561 10 5 EFBERN CC[C@H](C)n1nccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001568236551 1416451112 /nfs/dbraw/zinc/45/11/12/1416451112.db2.gz SGNFXEDRQOIRJH-JTQLQIEISA-N 0 0 342.359 2.569 10 5 EFBERN COc1ccccc1C[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC001568385046 1416505637 /nfs/dbraw/zinc/50/56/37/1416505637.db2.gz WIDRSSURRGSXIM-NSHDSACASA-N 0 0 346.387 2.811 10 5 EFBERN COc1cc(C(=O)N[C@@H]2CCc3ccc(O)cc32)ccc1[N+](=O)[O-] ZINC001645788892 1416557974 /nfs/dbraw/zinc/55/79/74/1416557974.db2.gz BUOYDDOYQJTZQH-CQSZACIVSA-N 0 0 328.324 2.726 10 5 EFBERN CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001645894924 1416581383 /nfs/dbraw/zinc/58/13/83/1416581383.db2.gz QLHDDACHJANOOT-MRXNPFEDSA-N 0 0 345.786 2.926 10 5 EFBERN COC(=O)c1cc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c[nH]1 ZINC001645958425 1416592196 /nfs/dbraw/zinc/59/21/96/1416592196.db2.gz BNVRULPHDFSGKU-UHFFFAOYSA-N 0 0 343.339 2.693 10 5 EFBERN CN(C)c1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001646089119 1416611622 /nfs/dbraw/zinc/61/16/22/1416611622.db2.gz FWAJOZNBHWCFQS-OAHLLOKOSA-N 0 0 349.774 2.986 10 5 EFBERN COC(C)(C)[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001646165976 1416623544 /nfs/dbraw/zinc/62/35/44/1416623544.db2.gz YGCHWKKKGLOJKX-ZCFIWIBFSA-N 0 0 333.747 2.513 10 5 EFBERN Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)[nH]c2c1C(=O)CCC2 ZINC001646256228 1416638992 /nfs/dbraw/zinc/63/89/92/1416638992.db2.gz YBDPOLKZADOZIC-UHFFFAOYSA-N 0 0 342.355 2.893 10 5 EFBERN Cc1ccc(NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001646260035 1416639763 /nfs/dbraw/zinc/63/97/63/1416639763.db2.gz VNNTXGUTJNOJQN-KZULUSFZSA-N 0 0 343.383 2.979 10 5 EFBERN Cc1ccc(NCCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC001683836911 1416686129 /nfs/dbraw/zinc/68/61/29/1416686129.db2.gz WQXQBJMNQSNPTP-CYBMUJFWSA-N 0 0 343.387 2.771 10 5 EFBERN C[C@@H](NC(=O)NCCc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001684042895 1416691790 /nfs/dbraw/zinc/69/17/90/1416691790.db2.gz LWJPSZLKAJRVJF-CYBMUJFWSA-N 0 0 343.383 2.690 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](C1CC1)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001684043762 1416691822 /nfs/dbraw/zinc/69/18/22/1416691822.db2.gz YFIGJSWATVMLCO-ABAIWWIYSA-N 0 0 335.404 2.752 10 5 EFBERN C[C@@H](CNC(=O)N[C@@H](C)c1csnn1)c1ccccc1[N+](=O)[O-] ZINC001684397791 1416720621 /nfs/dbraw/zinc/72/06/21/1416720621.db2.gz VRYDZJMCJQBOAQ-UWVGGRQHSA-N 0 0 335.389 2.610 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001685447242 1416764200 /nfs/dbraw/zinc/76/42/00/1416764200.db2.gz GEQSVKFBSOQWKP-XHDPSFHLSA-N 0 0 347.371 2.633 10 5 EFBERN C[C@H](CNC(=O)N[C@H](CO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001685447365 1416764215 /nfs/dbraw/zinc/76/42/15/1416764215.db2.gz ISIDBQDVXSFPJL-IUODEOHRSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](CO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001685447364 1416764237 /nfs/dbraw/zinc/76/42/37/1416764237.db2.gz ISIDBQDVXSFPJL-DOMZBBRYSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@H](CNC(=O)NC[C@H]1CCC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC001685448303 1416764238 /nfs/dbraw/zinc/76/42/38/1416764238.db2.gz ZYNJYVYTTYGEFN-HZSPNIEDSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@@H](CNC(=O)NC(C)(C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC001685528162 1416766322 /nfs/dbraw/zinc/76/63/22/1416766322.db2.gz PUGFSARZODFCPY-LBPRGKRZSA-N 0 0 345.403 2.666 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](CCO)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC001685527207 1416766410 /nfs/dbraw/zinc/76/64/10/1416766410.db2.gz FRJKCHAYIYJOCL-GXTWGEPZSA-N 0 0 347.371 2.714 10 5 EFBERN CC[C@H](C)[C@](C)(O)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001685527996 1416766466 /nfs/dbraw/zinc/76/64/66/1416766466.db2.gz NVIPMJRUDSSVEG-IIYDPXPESA-N 0 0 337.420 2.795 10 5 EFBERN CCC(CC)[C@@H](O)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001685527826 1416766523 /nfs/dbraw/zinc/76/65/23/1416766523.db2.gz MDFLKKGQHDUIJG-WBMJQRKESA-N 0 0 337.420 2.795 10 5 EFBERN C[C@H](CNC(=O)N[C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001687733863 1416869199 /nfs/dbraw/zinc/86/91/99/1416869199.db2.gz WDBGTZPIDOUARP-CZUORRHYSA-N 0 0 343.383 2.731 10 5 EFBERN CN(CCNC(=O)c1ncoc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001689822119 1417082960 /nfs/dbraw/zinc/08/29/60/1417082960.db2.gz ICKCQHBNKGRGEZ-UHFFFAOYSA-N 0 0 346.387 2.747 10 5 EFBERN C[C@@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@H]1C ZINC001693597687 1417288046 /nfs/dbraw/zinc/28/80/46/1417288046.db2.gz KVEFPQPLENIODC-JMSVASOKSA-N 0 0 343.387 2.659 10 5 EFBERN C=C/C(C)=C/CC(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001699718702 1417460838 /nfs/dbraw/zinc/46/08/38/1417460838.db2.gz UTURCGCXQGSUQT-NTEUORMPSA-N 0 0 329.400 2.760 10 5 EFBERN CN(C(=O)C(C)(C)C(F)F)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001699719604 1417461524 /nfs/dbraw/zinc/46/15/24/1417461524.db2.gz LTHUYCOWQIYDGT-UHFFFAOYSA-N 0 0 341.358 2.529 10 5 EFBERN O=C(CCCC1CC1)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001713282507 1418452108 /nfs/dbraw/zinc/45/21/08/1418452108.db2.gz ABPMWVJNBYEGAO-HALDLXJZSA-N 0 0 349.456 2.783 10 5 EFBERN C/C(=C\C(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001716737400 1418985739 /nfs/dbraw/zinc/98/57/39/1418985739.db2.gz WJPBYBRDTCPPHX-UKTHLTGXSA-N 0 0 329.400 2.594 10 5 EFBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCOC1 ZINC000165122137 1419628707 /nfs/dbraw/zinc/62/87/07/1419628707.db2.gz ZIIOUFFOMSPMLU-SECBINFHSA-N 0 0 330.134 2.728 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC1CCS(=O)(=O)CC1 ZINC000247293577 1422264577 /nfs/dbraw/zinc/26/45/77/1422264577.db2.gz BWAQKFYSVVOIQS-UHFFFAOYSA-N 0 0 339.291 2.570 10 5 EFBERN C[C@@H]1CC[C@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000120311969 713060219 /nfs/dbraw/zinc/06/02/19/713060219.db2.gz MWZOFEGUOACPSH-MFKMUULPSA-N 0 0 330.431 2.857 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000890596052 713108855 /nfs/dbraw/zinc/10/88/55/713108855.db2.gz SQBRPMCBGZOGCF-ZJUUUORDSA-N 0 0 340.401 2.897 10 5 EFBERN CCS(=O)(=O)c1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000134448825 713266111 /nfs/dbraw/zinc/26/61/11/713266111.db2.gz XELIVSJVIOJSHW-UHFFFAOYSA-N 0 0 335.337 2.608 10 5 EFBERN C[C@H](COC(=O)CCc1cc(Br)ccc1F)[N+](=O)[O-] ZINC000813114065 713613054 /nfs/dbraw/zinc/61/30/54/713613054.db2.gz YGLASGQGDTXMEU-MRVPVSSYSA-N 0 0 334.141 2.729 10 5 EFBERN Cc1ccc(NC[C@]2(O)CCO[C@H]2C)c([N+](=O)[O-])c1Br ZINC000804673843 713394708 /nfs/dbraw/zinc/39/47/08/713394708.db2.gz LLASXPSTYCCAEA-TVQRCGJNSA-N 0 0 345.193 2.618 10 5 EFBERN COC(=O)[C@@]1(C(F)(F)F)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000804791945 713469979 /nfs/dbraw/zinc/46/99/79/713469979.db2.gz QBSUHXDAJCMPKY-CYBMUJFWSA-N 0 0 347.293 2.538 10 5 EFBERN CC(=O)c1ccc(N2C[C@H](C(F)(F)F)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000804792833 713470659 /nfs/dbraw/zinc/47/06/59/713470659.db2.gz UGYVFOYRUKWXST-ISVAXAHUSA-N 0 0 332.278 2.953 10 5 EFBERN Cc1ccccc1[C@H](O)C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000804810050 713476687 /nfs/dbraw/zinc/47/66/87/713476687.db2.gz CQZIRNNJAIGXPR-OAHLLOKOSA-N 0 0 330.388 2.587 10 5 EFBERN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C1(S(C)(=O)=O)CC1 ZINC000804814434 713478601 /nfs/dbraw/zinc/47/86/01/713478601.db2.gz VIYZRJXLVAIZMX-QMMMGPOBSA-N 0 0 341.414 2.582 10 5 EFBERN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C1(S(C)(=O)=O)CC1 ZINC000804814433 713478639 /nfs/dbraw/zinc/47/86/39/713478639.db2.gz VIYZRJXLVAIZMX-MRVPVSSYSA-N 0 0 341.414 2.582 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCC2(S(C)(=O)=O)CCCC2)c1 ZINC000804822731 713485685 /nfs/dbraw/zinc/48/56/85/713485685.db2.gz FUUWYDRLOUWNJO-UHFFFAOYSA-N 0 0 346.380 2.512 10 5 EFBERN C[C@H](COC(=O)CCCOc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110164 713542228 /nfs/dbraw/zinc/54/22/28/713542228.db2.gz UDHDZLGNSDMNJX-SNVBAGLBSA-N 0 0 346.177 2.817 10 5 EFBERN O=C(Nc1ccc(OCc2cccnc2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134088396 713885719 /nfs/dbraw/zinc/88/57/19/713885719.db2.gz OEYYCOCGRVOSOC-UHFFFAOYSA-N 0 0 339.311 2.544 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2ncccn2)C1 ZINC000924341689 713939733 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335.795 2.886 10 5 EFBERN CC(C)(C)OC(=O)NCCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000728910860 724882579 /nfs/dbraw/zinc/88/25/79/724882579.db2.gz NPOREDLSTPUKGZ-UHFFFAOYSA-N 0 0 335.364 2.569 10 5 EFBERN COC(=O)c1cc(F)ccc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000728992761 724951783 /nfs/dbraw/zinc/95/17/83/724951783.db2.gz ZPNQCGMSZCUTDL-UHFFFAOYSA-N 0 0 333.271 2.878 10 5 EFBERN CCOC(=O)c1cccc(OC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000069477646 728910453 /nfs/dbraw/zinc/91/04/53/728910453.db2.gz KPECPWWWLGWEJQ-UHFFFAOYSA-N 0 0 329.308 2.920 10 5 EFBERN CC(C)Cc1ccc(CCC(=O)OCCn2cnc([N+](=O)[O-])n2)cc1 ZINC000154808761 728921857 /nfs/dbraw/zinc/92/18/57/728921857.db2.gz DJQKASURIVXSGT-UHFFFAOYSA-N 0 0 346.387 2.561 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@@H]1CCO ZINC000930042640 728938900 /nfs/dbraw/zinc/93/89/00/728938900.db2.gz KIQWHDFZKGIHJM-GFCCVEGCSA-N 0 0 340.807 2.944 10 5 EFBERN CC(=O)Nc1ccc(CC(=O)OCc2csc([N+](=O)[O-])c2)cc1 ZINC000918904198 728941051 /nfs/dbraw/zinc/94/10/51/728941051.db2.gz OBSMYEGWCQETDB-UHFFFAOYSA-N 0 0 334.353 2.901 10 5 EFBERN C/C(=C\C(=O)NCc1ncc2c(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000909669060 725489641 /nfs/dbraw/zinc/48/96/41/725489641.db2.gz CBJMBGWWBMTNBK-FMIVXFBMSA-N 0 0 338.367 2.593 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000913598091 725627459 /nfs/dbraw/zinc/62/74/59/725627459.db2.gz WESPMGIGHRJUJP-WDEREUQCSA-N 0 0 346.412 2.944 10 5 EFBERN COC(=O)[C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000312304817 725682732 /nfs/dbraw/zinc/68/27/32/725682732.db2.gz AJSAXFJGBDODAK-SECBINFHSA-N 0 0 343.177 2.747 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)n1 ZINC000913610759 725695762 /nfs/dbraw/zinc/69/57/62/725695762.db2.gz PXYSTXHTDQPYFH-UHFFFAOYSA-N 0 0 346.774 2.895 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000913614179 725737413 /nfs/dbraw/zinc/73/74/13/725737413.db2.gz KXCQMNURUYGEBG-VMPITWQZSA-N 0 0 338.367 2.641 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(c2ncc(C3CC3)cn2)C1 ZINC000913621423 725784050 /nfs/dbraw/zinc/78/40/50/725784050.db2.gz ILNPQICDDDBXAT-UHFFFAOYSA-N 0 0 342.330 2.641 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)O1 ZINC000913653177 725795889 /nfs/dbraw/zinc/79/58/89/725795889.db2.gz PJVLWPKMEVHTBX-BFVZDQMLSA-N 0 0 326.780 2.863 10 5 EFBERN CC[C@@]1(O)CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913666469 725804404 /nfs/dbraw/zinc/80/44/04/725804404.db2.gz ZZSMYIOVLAZSGF-MRXNPFEDSA-N 0 0 340.807 2.944 10 5 EFBERN CCc1nc(C)c(CC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000913754828 725848745 /nfs/dbraw/zinc/84/87/45/725848745.db2.gz ZGACQGKFPPWNAX-UHFFFAOYSA-N 0 0 342.399 2.731 10 5 EFBERN CC1(C)C[C@@H](O)CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913762541 725852846 /nfs/dbraw/zinc/85/28/46/725852846.db2.gz XMUNJWGQNUWNOR-SECBINFHSA-N 0 0 330.743 2.620 10 5 EFBERN O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913775269 725856754 /nfs/dbraw/zinc/85/67/54/725856754.db2.gz DWCRYUVRQMIDHF-CMPLNLGQSA-N 0 0 342.754 2.932 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(C)cc(C)c1 ZINC000030493763 725864862 /nfs/dbraw/zinc/86/48/62/725864862.db2.gz IOKMLIXKXOCVKR-UHFFFAOYSA-N 0 0 337.353 2.988 10 5 EFBERN CC(C)(O)[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913816298 725874348 /nfs/dbraw/zinc/87/43/48/725874348.db2.gz GPZZOPDECCUFTO-SECBINFHSA-N 0 0 330.743 2.620 10 5 EFBERN CC(F)(F)CCCS(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000913832854 725883668 /nfs/dbraw/zinc/88/36/68/725883668.db2.gz HROUPHHGWCCWNW-UHFFFAOYSA-N 0 0 327.280 2.878 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCS1 ZINC000913933853 725958188 /nfs/dbraw/zinc/95/81/88/725958188.db2.gz UJZAQTLACNAHBK-NEPJUHHUSA-N 0 0 338.433 2.590 10 5 EFBERN C[C@H]1C[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCS1 ZINC000913933854 725958282 /nfs/dbraw/zinc/95/82/82/725958282.db2.gz UJZAQTLACNAHBK-NWDGAFQWSA-N 0 0 338.433 2.590 10 5 EFBERN CC(C)(CCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000913948415 725965962 /nfs/dbraw/zinc/96/59/62/725965962.db2.gz GKDQNLZFRPTJOG-UHFFFAOYSA-N 0 0 326.418 2.841 10 5 EFBERN C[C@@H](O)C1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900757312 726096059 /nfs/dbraw/zinc/09/60/59/726096059.db2.gz WKTYMVDLLFKSBB-MRVPVSSYSA-N 0 0 330.743 2.620 10 5 EFBERN C[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cccc1 ZINC000729246153 726158242 /nfs/dbraw/zinc/15/82/42/726158242.db2.gz PVQZBIOYIVRLEM-HNNXBMFYSA-N 0 0 342.399 2.696 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000914239818 726192559 /nfs/dbraw/zinc/19/25/59/726192559.db2.gz PMWLSZKCHHZSAL-UJDVCPFMSA-N 0 0 331.372 2.546 10 5 EFBERN CC(F)(F)CCCS(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000914269136 726207496 /nfs/dbraw/zinc/20/74/96/726207496.db2.gz CQCVQXCODYHPAZ-UHFFFAOYSA-N 0 0 327.280 2.878 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1C=CCC1 ZINC000914286564 726218465 /nfs/dbraw/zinc/21/84/65/726218465.db2.gz GZZZRGJHUJYSOC-JTQLQIEISA-N 0 0 339.189 2.982 10 5 EFBERN C[C@@H](CN1C(=O)N2CCC[C@@H]3C[C@@]32C1=O)c1ccccc1[N+](=O)[O-] ZINC000929000676 726224011 /nfs/dbraw/zinc/22/40/11/726224011.db2.gz FJHLIZOENONBHT-JKDFXYPNSA-N 0 0 329.356 2.515 10 5 EFBERN COc1ccc(CNC(=O)NC[C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000914299779 726224515 /nfs/dbraw/zinc/22/45/15/726224515.db2.gz ZPUWVXVUYFALOM-SUMWQHHRSA-N 0 0 333.388 2.983 10 5 EFBERN COc1ccc(CNC(=O)N[C@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000914300709 726225384 /nfs/dbraw/zinc/22/53/84/726225384.db2.gz ZMIAWACCWGSLFO-JQWIXIFHSA-N 0 0 339.417 2.687 10 5 EFBERN C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000729288771 726227668 /nfs/dbraw/zinc/22/76/68/726227668.db2.gz GBYAIWIRBCYJOC-OLZOCXBDSA-N 0 0 345.355 2.918 10 5 EFBERN Cc1cnc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000914325248 726236026 /nfs/dbraw/zinc/23/60/26/726236026.db2.gz FJRCVGYZAQKBHU-UHFFFAOYSA-N 0 0 328.372 2.649 10 5 EFBERN CC(C)(CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000800943338 726242448 /nfs/dbraw/zinc/24/24/48/726242448.db2.gz YJSNFPXCRCGQJE-UHFFFAOYSA-N 0 0 332.325 2.523 10 5 EFBERN Cc1c(CNS(=O)(=O)CCCC(C)(F)F)cccc1[N+](=O)[O-] ZINC000914426912 726290488 /nfs/dbraw/zinc/29/04/88/726290488.db2.gz BTSVEAWCVKLBFW-UHFFFAOYSA-N 0 0 336.360 2.758 10 5 EFBERN CO[C@H]1CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[C@@H]1C ZINC000897506807 726353751 /nfs/dbraw/zinc/35/37/51/726353751.db2.gz JAHPQLJMRSYGAT-NHYWBVRUSA-N 0 0 343.383 2.827 10 5 EFBERN C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000906802290 726800436 /nfs/dbraw/zinc/80/04/36/726800436.db2.gz BJNWYSNRRMIRQT-PEYYIBSZSA-N 0 0 336.413 2.984 10 5 EFBERN Cc1sc(C(=O)OCC(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000731071208 726801117 /nfs/dbraw/zinc/80/11/17/726801117.db2.gz QRSPPTIYKAFWTD-UHFFFAOYSA-N 0 0 335.337 2.865 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000906914686 726820054 /nfs/dbraw/zinc/82/00/54/726820054.db2.gz NLLSFEMKWWUMMA-ZNMIVQPWSA-N 0 0 334.372 2.751 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193313272 726826898 /nfs/dbraw/zinc/82/68/98/726826898.db2.gz RYRYYYZMPQICKY-UHFFFAOYSA-N 0 0 336.779 2.571 10 5 EFBERN CC(C)C[C@@H](O)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907013388 726847187 /nfs/dbraw/zinc/84/71/87/726847187.db2.gz QKRGQTHBAJXUMW-CYBMUJFWSA-N 0 0 328.796 2.704 10 5 EFBERN C[C@@H]1COCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907084013 726864236 /nfs/dbraw/zinc/86/42/36/726864236.db2.gz KYUPHBSOCMLGIP-LLVKDONJSA-N 0 0 326.780 2.818 10 5 EFBERN C[C@@H](F)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000814915053 726872292 /nfs/dbraw/zinc/87/22/92/726872292.db2.gz SWEIWUVSVWOHDE-SSDOTTSWSA-N 0 0 326.296 2.751 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC1(CO)CCCC1 ZINC000907140157 726874007 /nfs/dbraw/zinc/87/40/07/726874007.db2.gz TUBHEVISZHLNRH-UHFFFAOYSA-N 0 0 326.780 2.602 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000907170922 726876464 /nfs/dbraw/zinc/87/64/64/726876464.db2.gz KLBYCMFFTVVCHS-JKSUJKDBSA-N 0 0 346.383 2.675 10 5 EFBERN O=C(OCc1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000731520075 726885339 /nfs/dbraw/zinc/88/53/39/726885339.db2.gz XRRDFHRRMWIJMD-UHFFFAOYSA-N 0 0 342.286 2.672 10 5 EFBERN O=C(OCCOCCOc1ccccc1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000731520106 726885424 /nfs/dbraw/zinc/88/54/24/726885424.db2.gz YREQODNFKWLHJK-UHFFFAOYSA-N 0 0 349.314 2.986 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCCCCCO ZINC000907221858 726892672 /nfs/dbraw/zinc/89/26/72/726892672.db2.gz GNTLLWMXWLGGRA-UHFFFAOYSA-N 0 0 328.796 2.850 10 5 EFBERN CN(CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000731552251 726893929 /nfs/dbraw/zinc/89/39/29/726893929.db2.gz OMQQWHWGSCZZFX-UHFFFAOYSA-N 0 0 342.323 2.758 10 5 EFBERN C[C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@H]1F ZINC000907241283 726896295 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339.351 2.928 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(F)(F)F)n(C)n1 ZINC001647800720 1089882870 /nfs/dbraw/zinc/88/28/70/1089882870.db2.gz PLTNSHHUMCGNBV-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@H](CO)c2ccc(F)cc2F)cc1F ZINC001647836991 1089892628 /nfs/dbraw/zinc/89/26/28/1089892628.db2.gz CZVFZBJNOCSIIB-CQSZACIVSA-N 0 0 326.274 2.835 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cnn(C)c2Cl)c1F ZINC001647846926 1089894605 /nfs/dbraw/zinc/89/46/05/1089894605.db2.gz JCMGHPBCRTZXNV-UHFFFAOYSA-N 0 0 330.678 2.821 10 5 EFBERN O=C(Nc1ccnn1C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001647851198 1089897769 /nfs/dbraw/zinc/89/77/69/1089897769.db2.gz BVGADAPPMWVINR-UHFFFAOYSA-N 0 0 338.327 2.564 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCn3nccc3C2)c1 ZINC001647856957 1089898803 /nfs/dbraw/zinc/89/88/03/1089898803.db2.gz MUVAYBFXHKPOOU-UHFFFAOYSA-N 0 0 326.278 2.826 10 5 EFBERN CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001647877407 1089901311 /nfs/dbraw/zinc/90/13/11/1089901311.db2.gz QORWJLUEBGRVEP-CZUORRHYSA-N 0 0 347.415 2.635 10 5 EFBERN CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC001648263378 1089970750 /nfs/dbraw/zinc/97/07/50/1089970750.db2.gz BZYMGEUBUAFVJX-UWVGGRQHSA-N 0 0 348.334 2.745 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001648295956 1089973111 /nfs/dbraw/zinc/97/31/11/1089973111.db2.gz RKTRDWGEFXXNFE-VIFPVBQESA-N 0 0 331.376 2.958 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001648320734 1089980232 /nfs/dbraw/zinc/98/02/32/1089980232.db2.gz AHCMCJLKKLOOEX-IONNQARKSA-N 0 0 342.689 2.535 10 5 EFBERN CN(CCn1cnnc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001620549965 1090654025 /nfs/dbraw/zinc/65/40/25/1090654025.db2.gz YMFIJXBUQSBAHX-UHFFFAOYSA-N 0 0 330.175 2.625 10 5 EFBERN O=[N+]([O-])c1ncccc1CN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001620597876 1090891190 /nfs/dbraw/zinc/89/11/90/1090891190.db2.gz JLDFANBKIRUESH-QGZVFWFLSA-N 0 0 335.367 2.861 10 5 EFBERN CC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC001583105083 1091899931 /nfs/dbraw/zinc/89/99/31/1091899931.db2.gz VYFLOCDUIJPAKZ-DGCLKSJQSA-N 0 0 341.795 2.908 10 5 EFBERN Cc1noc(-c2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cn2)n1 ZINC001583126949 1091906770 /nfs/dbraw/zinc/90/67/70/1091906770.db2.gz KIENGSODGNOJHH-UHFFFAOYSA-N 0 0 343.274 2.740 10 5 EFBERN CCCCCCO[C@H](C)C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001583231181 1091938957 /nfs/dbraw/zinc/93/89/57/1091938957.db2.gz KSARBPRQVYUDPH-LLVKDONJSA-N 0 0 325.365 2.922 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccnn1C1CCCC1 ZINC001583230954 1091939064 /nfs/dbraw/zinc/93/90/64/1091939064.db2.gz FJICPUWTSIJDPW-UHFFFAOYSA-N 0 0 331.332 2.562 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(Cl)nc1Cl ZINC001583231379 1091939537 /nfs/dbraw/zinc/93/95/37/1091939537.db2.gz PHHJBRFAURMGMQ-UHFFFAOYSA-N 0 0 343.126 2.953 10 5 EFBERN COc1cccc([C@@H](C)C(=O)Nc2ncc([N+](=O)[O-])cc2OC)c1 ZINC001583232081 1091939549 /nfs/dbraw/zinc/93/95/49/1091939549.db2.gz XHSKSQKKRKBVQM-SNVBAGLBSA-N 0 0 331.328 2.749 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CCCN1c1ccccc1 ZINC001583231701 1091939613 /nfs/dbraw/zinc/93/96/13/1091939613.db2.gz TUSMHNDOXSRLQA-CQSZACIVSA-N 0 0 342.355 2.606 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC001583235641 1091940977 /nfs/dbraw/zinc/94/09/77/1091940977.db2.gz TYIGULMQBGSSOV-LLVKDONJSA-N 0 0 335.360 2.676 10 5 EFBERN COc1ccc(NC(=O)C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001583289155 1091952777 /nfs/dbraw/zinc/95/27/77/1091952777.db2.gz HZNJBZUMNGVLBL-LBPRGKRZSA-N 0 0 344.323 2.772 10 5 EFBERN Cc1ccc(COC(=O)c2ccc3nnn(C)c3c2)cc1[N+](=O)[O-] ZINC001583447417 1092002256 /nfs/dbraw/zinc/00/22/56/1092002256.db2.gz HOJUTVLKLQBBDW-UHFFFAOYSA-N 0 0 326.312 2.542 10 5 EFBERN COc1ccnc(OC)c1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001583446405 1092002904 /nfs/dbraw/zinc/00/29/04/1092002904.db2.gz QUCOOYPVLSYBMS-STQMWFEESA-N 0 0 343.339 2.749 10 5 EFBERN CC(C)(C)OCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001583685519 1092058011 /nfs/dbraw/zinc/05/80/11/1092058011.db2.gz VDQFYPQUJSVVPM-UHFFFAOYSA-N 0 0 331.372 2.875 10 5 EFBERN Cc1nccnc1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001583711142 1092059587 /nfs/dbraw/zinc/05/95/87/1092059587.db2.gz QGPPNHCMHHOWFQ-UHFFFAOYSA-N 0 0 340.261 2.989 10 5 EFBERN COc1ccn2c(c1)ncc2C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001583792773 1092070018 /nfs/dbraw/zinc/07/00/18/1092070018.db2.gz XZZASWHSNAPZAD-LLVKDONJSA-N 0 0 340.339 2.742 10 5 EFBERN NC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cs1 ZINC001583805091 1092070986 /nfs/dbraw/zinc/07/09/86/1092070986.db2.gz QTXZRBZBFZANMW-UHFFFAOYSA-N 0 0 345.380 2.816 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc3c2CCNC3=O)c1F ZINC001583808178 1092071307 /nfs/dbraw/zinc/07/13/07/1092071307.db2.gz FNBNFTIHNYJWCI-UHFFFAOYSA-N 0 0 343.314 2.581 10 5 EFBERN CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001583826379 1092073589 /nfs/dbraw/zinc/07/35/89/1092073589.db2.gz ZZUWIDUIMHMIRE-AWEZNQCLSA-N 0 0 335.404 2.685 10 5 EFBERN Cc1cc(C(=O)NCc2nccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC001583942282 1092089155 /nfs/dbraw/zinc/08/91/55/1092089155.db2.gz AAEWLYIWVSQCDR-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)c1F ZINC001583956930 1092090181 /nfs/dbraw/zinc/09/01/81/1092090181.db2.gz UBWAXKLOYLQZFF-UHFFFAOYSA-N 0 0 345.286 2.819 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2cncc(Cl)c2C)cc([N+](=O)[O-])c1 ZINC001583974728 1092092637 /nfs/dbraw/zinc/09/26/37/1092092637.db2.gz RBIJSGIYBVNORD-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN O=C(Nc1c(F)ccnc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001584046759 1092103313 /nfs/dbraw/zinc/10/33/13/1092103313.db2.gz MQWSXRDPUQIKDC-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)ccn1C ZINC001584158980 1092120874 /nfs/dbraw/zinc/12/08/74/1092120874.db2.gz VOMLNPNOAQRJAH-UHFFFAOYSA-N 0 0 331.328 2.671 10 5 EFBERN CC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC001584183415 1092123695 /nfs/dbraw/zinc/12/36/95/1092123695.db2.gz GHWRUKMIOIYPJI-KBPBESRZSA-N 0 0 334.372 2.936 10 5 EFBERN CC[C@@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC001584183418 1092124012 /nfs/dbraw/zinc/12/40/12/1092124012.db2.gz GHWRUKMIOIYPJI-ZIAGYGMSSA-N 0 0 334.372 2.936 10 5 EFBERN C[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001584213177 1092127593 /nfs/dbraw/zinc/12/75/93/1092127593.db2.gz OTLTWQJJNXJNJH-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN COc1nnccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001584238120 1092130609 /nfs/dbraw/zinc/13/06/09/1092130609.db2.gz LSJMCPKTYPKURB-UHFFFAOYSA-N 0 0 336.735 2.618 10 5 EFBERN O=C(NCc1ccc(F)c(Cl)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001584249521 1092131769 /nfs/dbraw/zinc/13/17/69/1092131769.db2.gz QDPPKHLIBDQEIG-AWEZNQCLSA-N 0 0 338.722 2.737 10 5 EFBERN O=C(Nc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001584331222 1092147122 /nfs/dbraw/zinc/14/71/22/1092147122.db2.gz VWUMAWYIMNUGDG-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001584348869 1092148011 /nfs/dbraw/zinc/14/80/11/1092148011.db2.gz PLEIQZLZRNZRQR-KGLIPLIRSA-N 0 0 340.383 2.947 10 5 EFBERN Cc1cc(C)c2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)ccc2n1 ZINC001584363450 1092151349 /nfs/dbraw/zinc/15/13/49/1092151349.db2.gz GUKFLOJOVRSCAJ-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2nc(C)cc(C)c2c1 ZINC001584371247 1092152986 /nfs/dbraw/zinc/15/29/86/1092152986.db2.gz KMRSPAUMIIYIGJ-UHFFFAOYSA-N 0 0 339.355 2.903 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2csc(C(C)C)n2)n1 ZINC001584412306 1092162283 /nfs/dbraw/zinc/16/22/83/1092162283.db2.gz WYWYZRWDGXKHEV-UHFFFAOYSA-N 0 0 334.401 2.851 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1NC(=O)C[C@H]1c1ccccc1 ZINC001648351950 1092206111 /nfs/dbraw/zinc/20/61/11/1092206111.db2.gz PBFQVNKKQOHEQQ-AWEZNQCLSA-N 0 0 345.742 2.867 10 5 EFBERN O=C1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)CN1 ZINC001648403628 1092212026 /nfs/dbraw/zinc/21/20/26/1092212026.db2.gz DMSIRGXSTBKZCU-MRXNPFEDSA-N 0 0 345.786 2.921 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccccc1F ZINC001584601341 1092217091 /nfs/dbraw/zinc/21/70/91/1092217091.db2.gz YJZAFZMUIXKLTH-GXTWGEPZSA-N 0 0 330.315 2.785 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC001648625401 1092239763 /nfs/dbraw/zinc/23/97/63/1092239763.db2.gz GKPZBOFGYYMUJI-UHFFFAOYSA-N 0 0 335.747 2.816 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H]2CCCO2)c1 ZINC001648617758 1092239827 /nfs/dbraw/zinc/23/98/27/1092239827.db2.gz VVUXQVUPZKVWOO-SJORKVTESA-N 0 0 348.399 2.915 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(=O)n(C)c2)c1C ZINC001648625536 1092241476 /nfs/dbraw/zinc/24/14/76/1092241476.db2.gz MBEPDRFHMNHONI-UHFFFAOYSA-N 0 0 335.747 2.816 10 5 EFBERN O=C(CN1C[C@@H](F)C[C@H]1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC001648637586 1092243328 /nfs/dbraw/zinc/24/33/28/1092243328.db2.gz ATXOOZRBUKBSOU-KWQFWETISA-N 0 0 335.257 2.508 10 5 EFBERN CN(C(=O)CN1CCO[C@@H](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001648654380 1092246996 /nfs/dbraw/zinc/24/69/96/1092246996.db2.gz OJPRSNSPETYDBO-MRXNPFEDSA-N 0 0 349.431 2.695 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001648655967 1092247980 /nfs/dbraw/zinc/24/79/80/1092247980.db2.gz FFUBPVCZUPSGEN-UHFFFAOYSA-N 0 0 348.742 2.870 10 5 EFBERN Cc1cc(C)c(CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c(C)c1 ZINC001648676830 1092250896 /nfs/dbraw/zinc/25/08/96/1092250896.db2.gz QVBMTDLDQJRWCU-UHFFFAOYSA-N 0 0 329.356 2.593 10 5 EFBERN Cc1cccnc1[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001648701575 1092256608 /nfs/dbraw/zinc/25/66/08/1092256608.db2.gz MXMBDWYWZPMWGL-GFCCVEGCSA-N 0 0 339.355 2.525 10 5 EFBERN Cc1cc(-n2cccn2)ccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001648728817 1092259070 /nfs/dbraw/zinc/25/90/70/1092259070.db2.gz LRGPGOIZVUOWQD-UHFFFAOYSA-N 0 0 326.312 2.612 10 5 EFBERN CC(C)(C(=O)Nc1ccn2nccc2n1)c1ccccc1[N+](=O)[O-] ZINC001584812449 1092293435 /nfs/dbraw/zinc/29/34/35/1092293435.db2.gz YPSCICLLKYLVID-UHFFFAOYSA-N 0 0 325.328 2.554 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC001584851238 1092308517 /nfs/dbraw/zinc/30/85/17/1092308517.db2.gz KVVDEHKEJLRKKN-UHFFFAOYSA-N 0 0 337.332 2.716 10 5 EFBERN COc1ccc(OC(=O)C[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC001584977694 1092343333 /nfs/dbraw/zinc/34/33/33/1092343333.db2.gz MKZPXWLGZFRJFO-CYBMUJFWSA-N 0 0 329.308 2.903 10 5 EFBERN O=C(c1ccnc2[nH]cnc21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001585125458 1092378048 /nfs/dbraw/zinc/37/80/48/1092378048.db2.gz LMULKQZDIDDPCH-UHFFFAOYSA-N 0 0 337.339 2.849 10 5 EFBERN CCS(=O)(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001585178274 1092392107 /nfs/dbraw/zinc/39/21/07/1092392107.db2.gz DODPRJLFJYQWAC-UHFFFAOYSA-N 0 0 348.380 2.782 10 5 EFBERN COC(=O)c1ccccc1CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001585200971 1092400303 /nfs/dbraw/zinc/40/03/03/1092400303.db2.gz UJBMBGHPPHGVAJ-UHFFFAOYSA-N 0 0 342.351 2.662 10 5 EFBERN O=C(N[C@H]1CCCC2(CC2)C1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001585248942 1092421278 /nfs/dbraw/zinc/42/12/78/1092421278.db2.gz KSORFBCIOPOJDV-ZDUSSCGKSA-N 0 0 341.371 2.628 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1coc2cc(O)ccc12 ZINC001585278257 1092430103 /nfs/dbraw/zinc/43/01/03/1092430103.db2.gz BQLVXFUKFWOCPQ-UHFFFAOYSA-N 0 0 342.307 2.855 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(F)cc1F ZINC001585380631 1092466929 /nfs/dbraw/zinc/46/69/29/1092466929.db2.gz MFVFLWKLZUHEMP-HQOGMNCSSA-N 0 0 348.305 2.736 10 5 EFBERN Cc1c(C(=O)N[C@@H](CO)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC001585379978 1092467099 /nfs/dbraw/zinc/46/70/99/1092467099.db2.gz DEHBGJORCTXBFZ-AWEZNQCLSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1c(C(=O)N[C@H](CO)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC001585379979 1092467651 /nfs/dbraw/zinc/46/76/51/1092467651.db2.gz DEHBGJORCTXBFZ-CQSZACIVSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1cc(C)c(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c(=O)o1 ZINC001585437662 1092486285 /nfs/dbraw/zinc/48/62/85/1092486285.db2.gz KMXRUHNYKHISGK-LLVKDONJSA-N 0 0 330.340 2.698 10 5 EFBERN CC(=O)c1cnccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001585448711 1092488744 /nfs/dbraw/zinc/48/87/44/1092488744.db2.gz SBTWRJGBAQSJHD-UHFFFAOYSA-N 0 0 327.340 2.792 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CCOc2c(F)ccc(F)c21 ZINC001585485392 1092500542 /nfs/dbraw/zinc/50/05/42/1092500542.db2.gz PTDRZNVFLUGTEJ-UHFFFAOYSA-N 0 0 326.280 2.974 10 5 EFBERN CC1(C(=O)NCC2=CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001279565173 1092517485 /nfs/dbraw/zinc/51/74/85/1092517485.db2.gz LGNUPNXOQAQEQU-UHFFFAOYSA-N 0 0 329.400 2.643 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1OC(F)F ZINC001585615493 1092524465 /nfs/dbraw/zinc/52/44/65/1092524465.db2.gz AAOXEYZNHJBVPP-UHFFFAOYSA-N 0 0 346.677 2.685 10 5 EFBERN CN(CC(F)(F)C(F)(F)F)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001585639173 1092531788 /nfs/dbraw/zinc/53/17/88/1092531788.db2.gz AWPLMUIFEFLFBP-UHFFFAOYSA-N 0 0 341.236 2.663 10 5 EFBERN COC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC001585643015 1092534398 /nfs/dbraw/zinc/53/43/98/1092534398.db2.gz QDPTTZJSRXHZKA-MRXNPFEDSA-N 0 0 330.340 2.721 10 5 EFBERN Cc1cc2nccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2n1 ZINC001585716634 1092556063 /nfs/dbraw/zinc/55/60/63/1092556063.db2.gz RNEZMJYKHGKEMK-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN CCn1ccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC001585739406 1092560017 /nfs/dbraw/zinc/56/00/17/1092560017.db2.gz BKXNIQKMHUBHSH-UHFFFAOYSA-N 0 0 339.149 2.826 10 5 EFBERN CC1(C)OCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001167517109 1092561759 /nfs/dbraw/zinc/56/17/59/1092561759.db2.gz FBIAZNNGTNOFKW-ZETCQYMHSA-N 0 0 345.758 2.514 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cn2c(n1)CCCC2 ZINC001585836216 1092590815 /nfs/dbraw/zinc/59/08/15/1092590815.db2.gz BVSVGEPKULJNJW-UHFFFAOYSA-N 0 0 337.339 2.928 10 5 EFBERN Cn1ncc(Cl)c1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001585837946 1092592243 /nfs/dbraw/zinc/59/22/43/1092592243.db2.gz QPXGSOXOLIGVOF-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN Cc1cc(C)c(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c(=O)o1 ZINC001585847992 1092596951 /nfs/dbraw/zinc/59/69/51/1092596951.db2.gz VRTFPJPXAJKPPG-UHFFFAOYSA-N 0 0 339.307 2.965 10 5 EFBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C(N)=O)c1 ZINC001585877584 1092607950 /nfs/dbraw/zinc/60/79/50/1092607950.db2.gz VPDNULWVNFNEBP-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN CCOc1cc(NC(=O)[C@H](NC(C)=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC001585926446 1092621862 /nfs/dbraw/zinc/62/18/62/1092621862.db2.gz FIIXUAKKVHOLSW-MRXNPFEDSA-N 0 0 349.387 2.627 10 5 EFBERN C/C(=C/C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000588502718 1092641279 /nfs/dbraw/zinc/64/12/79/1092641279.db2.gz QTESAQOQVXZSAU-SUIFULHWSA-N 0 0 332.404 2.995 10 5 EFBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001585993680 1092646926 /nfs/dbraw/zinc/64/69/26/1092646926.db2.gz PMEBCFAEPCLRRE-JSGCOSHPSA-N 0 0 341.371 2.580 10 5 EFBERN COC1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCCC1 ZINC001586044502 1092665696 /nfs/dbraw/zinc/66/56/96/1092665696.db2.gz IDALOECLFOSDPY-UHFFFAOYSA-N 0 0 346.387 2.940 10 5 EFBERN Cc1cccc(CONC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC001586074123 1092672923 /nfs/dbraw/zinc/67/29/23/1092672923.db2.gz HMMWTYOWLHSAJC-UHFFFAOYSA-N 0 0 338.323 2.708 10 5 EFBERN O=C(CC1CCCC1)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001670738443 1092690442 /nfs/dbraw/zinc/69/04/42/1092690442.db2.gz GFFLGBMVPMBQJY-UHFFFAOYSA-N 0 0 337.445 2.975 10 5 EFBERN CCCCC1(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC001586142338 1092690613 /nfs/dbraw/zinc/69/06/13/1092690613.db2.gz IGHIWUYPGFQNFW-UHFFFAOYSA-N 0 0 329.360 2.628 10 5 EFBERN Nc1ncc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001586252368 1092716699 /nfs/dbraw/zinc/71/66/99/1092716699.db2.gz IZHCAFKHILVRRG-NSHDSACASA-N 0 0 346.774 2.855 10 5 EFBERN Nc1ncc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001586252367 1092717220 /nfs/dbraw/zinc/71/72/20/1092717220.db2.gz IZHCAFKHILVRRG-LLVKDONJSA-N 0 0 346.774 2.855 10 5 EFBERN O=C(Nc1ccc2c(c1)CC(=O)N2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001586280621 1092718459 /nfs/dbraw/zinc/71/84/59/1092718459.db2.gz GVXOUPGDLJXRTF-LSDHHAIUSA-N 0 0 337.335 2.832 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc2c(C)cccn12 ZINC001586288882 1092719387 /nfs/dbraw/zinc/71/93/87/1092719387.db2.gz WWJAUTJQCNVOHL-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN COCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC001586325285 1092723924 /nfs/dbraw/zinc/72/39/24/1092723924.db2.gz ZTEXGDYYZBZGBS-UHFFFAOYSA-N 0 0 346.343 2.571 10 5 EFBERN CC(C)(C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC001586419729 1092733224 /nfs/dbraw/zinc/73/32/24/1092733224.db2.gz HTTZQWQZRNTOCG-GFCCVEGCSA-N 0 0 341.795 2.658 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1ccccc1[N+](=O)[O-] ZINC001586461140 1092735714 /nfs/dbraw/zinc/73/57/14/1092735714.db2.gz KQSPMGWZKXVDHQ-UHFFFAOYSA-N 0 0 347.302 2.544 10 5 EFBERN Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)s2)cc([N+](=O)[O-])c1 ZINC001586468070 1092736895 /nfs/dbraw/zinc/73/68/95/1092736895.db2.gz XIARGBLXEVIWCJ-UHFFFAOYSA-N 0 0 340.382 2.621 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)c(Cl)c2)n1 ZINC001586469224 1092737291 /nfs/dbraw/zinc/73/72/91/1092737291.db2.gz BIRBASPVFJTMLP-UHFFFAOYSA-N 0 0 329.143 2.565 10 5 EFBERN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001586503904 1092739748 /nfs/dbraw/zinc/73/97/48/1092739748.db2.gz GWDCMSGAPFYWDE-QWHCGFSZSA-N 0 0 341.323 2.519 10 5 EFBERN COc1cc(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC001586589863 1092744870 /nfs/dbraw/zinc/74/48/70/1092744870.db2.gz FMKAXQMVKGKMSQ-UHFFFAOYSA-N 0 0 344.367 2.893 10 5 EFBERN COC(=O)[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC001586620390 1092747002 /nfs/dbraw/zinc/74/70/02/1092747002.db2.gz SUERVIOLYAJVKC-LLVKDONJSA-N 0 0 344.298 2.651 10 5 EFBERN Cc1cc(C(=O)N[C@H]2COc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC001586629423 1092747161 /nfs/dbraw/zinc/74/71/61/1092747161.db2.gz SHWCJXSXAWXDLQ-CQSZACIVSA-N 0 0 330.315 2.776 10 5 EFBERN Cc1ncc(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])o1 ZINC001586644701 1092748268 /nfs/dbraw/zinc/74/82/68/1092748268.db2.gz VXYWFXGAKDTGAM-UHFFFAOYSA-N 0 0 328.683 2.970 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccnc(F)c1F ZINC001586660662 1092749748 /nfs/dbraw/zinc/74/97/48/1092749748.db2.gz TZMJQRKOYKMJBB-UHFFFAOYSA-N 0 0 325.296 2.999 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)n1 ZINC001586697191 1092751946 /nfs/dbraw/zinc/75/19/46/1092751946.db2.gz UUAMEBZFKKIESJ-UHFFFAOYSA-N 0 0 347.268 2.805 10 5 EFBERN Cc1noc([C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC001586722631 1092753997 /nfs/dbraw/zinc/75/39/97/1092753997.db2.gz YVIUCAIXSWVNDF-RBSFLKMASA-N 0 0 344.371 2.903 10 5 EFBERN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001586919290 1092768923 /nfs/dbraw/zinc/76/89/23/1092768923.db2.gz COGPOIBSDJCGQF-HTQZYQBOSA-N 0 0 332.813 2.718 10 5 EFBERN CNC(=O)Oc1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC001586959240 1092772765 /nfs/dbraw/zinc/77/27/65/1092772765.db2.gz NLLZQLWMOPQGRY-UHFFFAOYSA-N 0 0 346.295 2.541 10 5 EFBERN Cn1ncc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1Cl ZINC001586995541 1092774794 /nfs/dbraw/zinc/77/47/94/1092774794.db2.gz UUMDASGSHHPTEA-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN Cn1ncc(Cl)c1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001586999019 1092775016 /nfs/dbraw/zinc/77/50/16/1092775016.db2.gz IOUIQFCSYKABLG-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN O=C(CCCn1ccnc1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001586995577 1092775218 /nfs/dbraw/zinc/77/52/18/1092775218.db2.gz WJDUGWTZJOFNTI-UHFFFAOYSA-N 0 0 325.328 2.758 10 5 EFBERN O=C(Cc1ccc(F)cn1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001587001995 1092775264 /nfs/dbraw/zinc/77/52/64/1092775264.db2.gz AHKYMVKHNCDMCG-UHFFFAOYSA-N 0 0 326.287 2.858 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1nnc2ccccc2n1 ZINC001586995493 1092775517 /nfs/dbraw/zinc/77/55/17/1092775517.db2.gz RRPWCFPKHSCISX-UHFFFAOYSA-N 0 0 346.306 2.734 10 5 EFBERN Cc1cnc2c(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cnn2c1 ZINC001587038034 1092777875 /nfs/dbraw/zinc/77/78/75/1092777875.db2.gz XXYLHNUELXWHKX-GFCCVEGCSA-N 0 0 339.355 2.745 10 5 EFBERN CCOc1cc(NC(=O)[C@@H](CC2CCC2)NC(C)=O)ccc1[N+](=O)[O-] ZINC001587067490 1092778912 /nfs/dbraw/zinc/77/89/12/1092778912.db2.gz OLONHAYQCWSOCT-CQSZACIVSA-N 0 0 349.387 2.627 10 5 EFBERN CCOc1cc(NC(=O)c2ncc(OC)cc2F)ccc1[N+](=O)[O-] ZINC001587067197 1092779555 /nfs/dbraw/zinc/77/95/55/1092779555.db2.gz IMJUWNODQXFVIW-UHFFFAOYSA-N 0 0 335.291 2.789 10 5 EFBERN O=C(Nc1ncc(F)cc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001587081020 1092780121 /nfs/dbraw/zinc/78/01/21/1092780121.db2.gz TWMKJXYCQKJSMH-UHFFFAOYSA-N 0 0 339.666 2.763 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnc2nccn2c1 ZINC001587089021 1092782067 /nfs/dbraw/zinc/78/20/67/1092782067.db2.gz IBZSEYODXCIMOM-UHFFFAOYSA-N 0 0 325.328 2.815 10 5 EFBERN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1cnn(C)c1 ZINC001587128592 1092785166 /nfs/dbraw/zinc/78/51/66/1092785166.db2.gz OJLSVKZSQMQMDZ-UHFFFAOYSA-N 0 0 339.355 2.988 10 5 EFBERN Cc1cccc2c1O[C@H](C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001587143943 1092786104 /nfs/dbraw/zinc/78/61/04/1092786104.db2.gz MOUWOOGUOWANBN-AWEZNQCLSA-N 0 0 344.279 2.721 10 5 EFBERN CC(=O)c1cccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001587144859 1092786228 /nfs/dbraw/zinc/78/62/28/1092786228.db2.gz XRWSATALXUVPCF-UHFFFAOYSA-N 0 0 330.252 2.925 10 5 EFBERN COc1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1 ZINC001587179568 1092790094 /nfs/dbraw/zinc/79/00/94/1092790094.db2.gz STDNUOVNTAGIHU-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN COc1cnc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC001587260695 1092795434 /nfs/dbraw/zinc/79/54/34/1092795434.db2.gz DWVUKELPOFFUGV-UHFFFAOYSA-N 0 0 329.284 2.790 10 5 EFBERN COc1cnc(N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc1 ZINC001587268921 1092796849 /nfs/dbraw/zinc/79/68/49/1092796849.db2.gz QLIMUZRAPPHPOI-UHFFFAOYSA-N 0 0 336.735 2.632 10 5 EFBERN COc1ccnc(OC)c1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001587268739 1092797528 /nfs/dbraw/zinc/79/75/28/1092797528.db2.gz NKOKZBKSUFTEPS-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN C[C@@H](O)c1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001587328109 1092801585 /nfs/dbraw/zinc/80/15/85/1092801585.db2.gz BQZRBDVAENSOJU-LLVKDONJSA-N 0 0 332.331 2.646 10 5 EFBERN Cc1cc(OCC(=O)NCc2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC001587371078 1092806613 /nfs/dbraw/zinc/80/66/13/1092806613.db2.gz UTTCHEOWNFQQTA-UHFFFAOYSA-N 0 0 336.294 2.877 10 5 EFBERN COCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001587380326 1092807732 /nfs/dbraw/zinc/80/77/32/1092807732.db2.gz VTXLYWUQRIORFK-UHFFFAOYSA-N 0 0 345.355 2.845 10 5 EFBERN CCS[C@@H]1CCC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001587544959 1092821185 /nfs/dbraw/zinc/82/11/85/1092821185.db2.gz XUTQFHLSBUYTNC-HTQZYQBOSA-N 0 0 332.813 2.765 10 5 EFBERN Cc1cc(C(=O)Nc2cccc3c2CCN(C)C3=O)ccc1[N+](=O)[O-] ZINC001587560007 1092822459 /nfs/dbraw/zinc/82/24/59/1092822459.db2.gz IHLOCPZIIUOMKJ-UHFFFAOYSA-N 0 0 339.351 2.784 10 5 EFBERN COc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cnc1OC ZINC001587571609 1092824993 /nfs/dbraw/zinc/82/49/93/1092824993.db2.gz CYEGXYBDPAEQMD-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN CCON(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001587597059 1092827357 /nfs/dbraw/zinc/82/73/57/1092827357.db2.gz DEWWXSFGJFYDDC-UHFFFAOYSA-N 0 0 331.166 2.700 10 5 EFBERN C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC001587647090 1092835315 /nfs/dbraw/zinc/83/53/15/1092835315.db2.gz MXMAVRSEBISZSB-SSDOTTSWSA-N 0 0 338.726 2.856 10 5 EFBERN CC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1noc(C)n1 ZINC001587661195 1092839460 /nfs/dbraw/zinc/83/94/60/1092839460.db2.gz CPBSZHQQTVAADP-GFCCVEGCSA-N 0 0 348.359 2.631 10 5 EFBERN COc1cc(C(=O)Nc2cn(C)nc2-c2ccco2)ccc1[N+](=O)[O-] ZINC001587669996 1092839672 /nfs/dbraw/zinc/83/96/72/1092839672.db2.gz QYZKBPLLNCQLBO-UHFFFAOYSA-N 0 0 342.311 2.849 10 5 EFBERN Cc1ccc(NC(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)cc1[N+](=O)[O-] ZINC001587682656 1092841017 /nfs/dbraw/zinc/84/10/17/1092841017.db2.gz JZNFHTOTFFARHA-OAHLLOKOSA-N 0 0 343.339 2.626 10 5 EFBERN C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@H]1C ZINC001587740420 1092846972 /nfs/dbraw/zinc/84/69/72/1092846972.db2.gz MIAHPOWLGWLDFB-NEPJUHHUSA-N 0 0 329.356 2.779 10 5 EFBERN CC(C)c1coc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC001587739987 1092847478 /nfs/dbraw/zinc/84/74/78/1092847478.db2.gz AYROXOAFJUUHQB-CQSZACIVSA-N 0 0 344.327 2.838 10 5 EFBERN CNC(=O)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(OC)c1 ZINC001587790767 1092853617 /nfs/dbraw/zinc/85/36/17/1092853617.db2.gz FNTOTNSBDZFESG-UHFFFAOYSA-N 0 0 343.339 2.524 10 5 EFBERN Cn1nc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001587879105 1092864293 /nfs/dbraw/zinc/86/42/93/1092864293.db2.gz KPMDIGDIVOPFCE-DAXSKMNVSA-N 0 0 340.261 2.999 10 5 EFBERN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)sc1C=O ZINC001587892427 1092865282 /nfs/dbraw/zinc/86/52/82/1092865282.db2.gz DWXSBYUTUIJCAQ-UHFFFAOYSA-N 0 0 330.365 2.976 10 5 EFBERN CNc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC001587893450 1092866035 /nfs/dbraw/zinc/86/60/35/1092866035.db2.gz VBWLJHHEMIILHK-UHFFFAOYSA-N 0 0 329.331 2.974 10 5 EFBERN CN(C)c1ccc([S@](C)(=O)=NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001587913104 1092869186 /nfs/dbraw/zinc/86/91/86/1092869186.db2.gz HXOZEBTWBDLJQJ-DEOSSOPVSA-N 0 0 347.396 2.958 10 5 EFBERN CC(=O)c1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1C ZINC001587935883 1092870613 /nfs/dbraw/zinc/87/06/13/1092870613.db2.gz PEDNACRMOKWNAK-UHFFFAOYSA-N 0 0 335.341 2.580 10 5 EFBERN O=C(c1nncc2ccccc21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001587945762 1092871568 /nfs/dbraw/zinc/87/15/68/1092871568.db2.gz KMMQLZDLISLUMB-UHFFFAOYSA-N 0 0 338.298 2.880 10 5 EFBERN CC(C)(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H](O)C(F)(F)F ZINC001587970173 1092875921 /nfs/dbraw/zinc/87/59/21/1092875921.db2.gz SDQZBQGGTPQHJP-LBPRGKRZSA-N 0 0 345.277 2.508 10 5 EFBERN CCn1ncc(CNC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC001587998322 1092881297 /nfs/dbraw/zinc/88/12/97/1092881297.db2.gz SSIKFQJAHQRDPN-UHFFFAOYSA-N 0 0 331.379 2.929 10 5 EFBERN O=C(N[C@@H](Cc1cccnc1)C1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001588089994 1092890749 /nfs/dbraw/zinc/89/07/49/1092890749.db2.gz XOOPDZZXLKKUFN-HNNXBMFYSA-N 0 0 328.372 2.849 10 5 EFBERN COc1cc(CN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])ccc1O ZINC001588149944 1092897677 /nfs/dbraw/zinc/89/76/77/1092897677.db2.gz IBDMKKHNFFLIGW-UHFFFAOYSA-N 0 0 334.303 2.720 10 5 EFBERN Cc1ccc([C@H]2CCCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001588167860 1092898977 /nfs/dbraw/zinc/89/89/77/1092898977.db2.gz ITTZPIUCSJCZFN-CQSZACIVSA-N 0 0 326.356 2.858 10 5 EFBERN CC1(C)OC[C@H](/C=C\C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC001588200014 1092903151 /nfs/dbraw/zinc/90/31/51/1092903151.db2.gz ZGHZTIHHAMYDPB-QWGSZXSUSA-N 0 0 346.383 2.794 10 5 EFBERN Cc1ncc2c(n1)CC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001588232113 1092905258 /nfs/dbraw/zinc/90/52/58/1092905258.db2.gz JTILLWCXIVRJTC-LLVKDONJSA-N 0 0 346.774 2.634 10 5 EFBERN CC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC001267147025 1092907649 /nfs/dbraw/zinc/90/76/49/1092907649.db2.gz CASGUPJMBMGSTF-GJZGRUSLSA-N 0 0 325.324 2.935 10 5 EFBERN Cc1cc(F)cc(C(=O)N2Cc3cncnc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC001588243999 1092908820 /nfs/dbraw/zinc/90/88/20/1092908820.db2.gz LXTOPEFCCMYOIB-JTQLQIEISA-N 0 0 330.319 2.592 10 5 EFBERN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)Cc2cncnc21 ZINC001588243590 1092909354 /nfs/dbraw/zinc/90/93/54/1092909354.db2.gz HHZPQWQKRSQVJJ-VIFPVBQESA-N 0 0 332.747 2.798 10 5 EFBERN Cn1c(=O)c2ccccc2n1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001588307080 1092914227 /nfs/dbraw/zinc/91/42/27/1092914227.db2.gz KSOFCPZYZZVSJH-UHFFFAOYSA-N 0 0 331.715 2.590 10 5 EFBERN CCc1nc(Sc2c3cc(OC)ccc3ncc2[N+](=O)[O-])n[nH]1 ZINC001650107695 1092956043 /nfs/dbraw/zinc/95/60/43/1092956043.db2.gz PWZVYPPZJKOHME-UHFFFAOYSA-N 0 0 331.357 2.983 10 5 EFBERN CCOc1cc(CS[C@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC001307409265 1092957225 /nfs/dbraw/zinc/95/72/25/1092957225.db2.gz CXJGBJFNVALEEB-LBPRGKRZSA-N 0 0 345.442 2.804 10 5 EFBERN COc1cc(OCC(=O)Nc2cc(C)c(C)c(O)c2)ccc1[N+](=O)[O-] ZINC001589601474 1093113365 /nfs/dbraw/zinc/11/33/65/1093113365.db2.gz UYHGKNMKEMIXRS-UHFFFAOYSA-N 0 0 346.339 2.943 10 5 EFBERN CCCc1[nH]ccc1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001267210510 1093207075 /nfs/dbraw/zinc/20/70/75/1093207075.db2.gz GRANNLSXRLLSRN-UHFFFAOYSA-N 0 0 344.415 2.737 10 5 EFBERN COc1csc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001267210235 1093208736 /nfs/dbraw/zinc/20/87/36/1093208736.db2.gz CJGCBQDIJNWHON-UHFFFAOYSA-N 0 0 349.412 2.527 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000588576684 1093370219 /nfs/dbraw/zinc/37/02/19/1093370219.db2.gz USLUGEROACUCOB-LGFCBKBUSA-N 0 0 346.383 2.656 10 5 EFBERN COc1ccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1O ZINC001650668199 1093479914 /nfs/dbraw/zinc/47/99/14/1093479914.db2.gz FZKXUNDWRNEMBP-UHFFFAOYSA-N 0 0 336.275 2.709 10 5 EFBERN O=C(NCC[NH+]1CCCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001650703036 1093484969 /nfs/dbraw/zinc/48/49/69/1093484969.db2.gz XUUAJTIHYPVSHS-UHFFFAOYSA-N 0 0 341.795 2.560 10 5 EFBERN COc1ccc(Nc2c([N+](=O)[O-])cnn2C)cc1Br ZINC001650742479 1093489541 /nfs/dbraw/zinc/48/95/41/1093489541.db2.gz ANFBGGLUXLGQDS-UHFFFAOYSA-N 0 0 327.138 2.843 10 5 EFBERN O=C(N[C@H](Cc1cccnc1)C1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001650779714 1093493922 /nfs/dbraw/zinc/49/39/22/1093493922.db2.gz ZLOGBUMCVISHIR-OAHLLOKOSA-N 0 0 328.372 2.849 10 5 EFBERN O=c1ccn(-c2cc(-c3cccc(Cl)c3)ncn2)cc1[N+](=O)[O-] ZINC001650805899 1093495332 /nfs/dbraw/zinc/49/53/32/1093495332.db2.gz FBCAUNBMXKAPKT-UHFFFAOYSA-N 0 0 328.715 2.856 10 5 EFBERN COc1cc(NC[C@H](C)C(=O)OC(C)C)c([N+](=O)[O-])cc1OC ZINC001650806320 1093495656 /nfs/dbraw/zinc/49/56/56/1093495656.db2.gz SGHCFGZWPJYMDH-JTQLQIEISA-N 0 0 326.349 2.612 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)C[C@@H]3CCOC3)c2c1 ZINC001650859523 1093500957 /nfs/dbraw/zinc/50/09/57/1093500957.db2.gz LLFVSUAJYBLZFO-NEPJUHHUSA-N 0 0 331.372 2.801 10 5 EFBERN CSc1cccc(C(=O)N2Cc3cncnc3[C@H](C)C2)c1[N+](=O)[O-] ZINC001650871752 1093502986 /nfs/dbraw/zinc/50/29/86/1093502986.db2.gz LPJUMJSMPPSPLD-SNVBAGLBSA-N 0 0 344.396 2.866 10 5 EFBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCc2ccccc21 ZINC001650920948 1093509984 /nfs/dbraw/zinc/50/99/84/1093509984.db2.gz QSQBDESUKKFGDV-SFHVURJKSA-N 0 0 341.367 2.719 10 5 EFBERN CCN1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1=O ZINC001650972225 1093514438 /nfs/dbraw/zinc/51/44/38/1093514438.db2.gz ACKUSYHPCZRILJ-UHFFFAOYSA-N 0 0 332.187 2.960 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2ccc(F)cc2Br)n1 ZINC001650989526 1093515760 /nfs/dbraw/zinc/51/57/60/1093515760.db2.gz QGPOKNMHGAPQIT-UHFFFAOYSA-N 0 0 329.129 2.842 10 5 EFBERN C[C@@H]1COCC[C@@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651041677 1093520717 /nfs/dbraw/zinc/52/07/17/1093520717.db2.gz DQOVNVKGCXKAOB-GHMZBOCLSA-N 0 0 346.343 2.558 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCC[C@H]3CCOC3)c2c1 ZINC001651067196 1093522142 /nfs/dbraw/zinc/52/21/42/1093522142.db2.gz LLYQHWGWQQWRHS-NSHDSACASA-N 0 0 346.343 2.702 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1nc(-c2ccccn2)n[nH]1 ZINC001651064970 1093522396 /nfs/dbraw/zinc/52/23/96/1093522396.db2.gz VIXONOFRGREFRI-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN COc1ccc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)nn1 ZINC001651067201 1093522730 /nfs/dbraw/zinc/52/27/30/1093522730.db2.gz LYMGIIACRSAWJK-UHFFFAOYSA-N 0 0 346.734 2.602 10 5 EFBERN COc1ccc(C[C@H]2CCCN(c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC001651084693 1093525023 /nfs/dbraw/zinc/52/50/23/1093525023.db2.gz RDQUCTKIFCASCM-CQSZACIVSA-N 0 0 330.388 2.796 10 5 EFBERN CNC(=O)Oc1cccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001651090584 1093525094 /nfs/dbraw/zinc/52/50/94/1093525094.db2.gz YAEYVROLHGTKGY-UHFFFAOYSA-N 0 0 327.300 2.933 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCC3(OC)CCCC3)c2c1 ZINC001651108688 1093527021 /nfs/dbraw/zinc/52/70/21/1093527021.db2.gz HTUIQLSEDZHORL-UHFFFAOYSA-N 0 0 331.372 2.945 10 5 EFBERN CCC[C@@H](C)CCNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC001651097102 1093527040 /nfs/dbraw/zinc/52/70/40/1093527040.db2.gz DHMJIZTVCYVCNS-DGCLKSJQSA-N 0 0 339.440 2.770 10 5 EFBERN NC(=O)c1cc(N[C@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001651111994 1093528727 /nfs/dbraw/zinc/52/87/27/1093528727.db2.gz YDVVDPUROMKHSP-CQSZACIVSA-N 0 0 349.774 2.883 10 5 EFBERN Cc1ccc(C[C@H](CO)Nc2nc3ccccn3c2[N+](=O)[O-])cc1C ZINC001651124138 1093529932 /nfs/dbraw/zinc/52/99/32/1093529932.db2.gz WMWKYBKYQODSKF-OAHLLOKOSA-N 0 0 340.383 2.875 10 5 EFBERN COc1cccc2c1OCCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001651127050 1093530161 /nfs/dbraw/zinc/53/01/61/1093530161.db2.gz QXVKFGOEELACIO-LLVKDONJSA-N 0 0 331.328 2.575 10 5 EFBERN C=C/C=C\CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001651145343 1093531004 /nfs/dbraw/zinc/53/10/04/1093531004.db2.gz SGPOHSISNVCGEL-ARJAWSKDSA-N 0 0 340.177 2.802 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nc3ncccn3n2)nc1-c1ccccc1 ZINC001651155513 1093533684 /nfs/dbraw/zinc/53/36/84/1093533684.db2.gz JFSFLQSBXNDYPG-UHFFFAOYSA-N 0 0 347.338 2.707 10 5 EFBERN COc1cc(NCCCNc2cc(Cl)ccc2[N+](=O)[O-])ncn1 ZINC001651172028 1093535278 /nfs/dbraw/zinc/53/52/78/1093535278.db2.gz RVBYPERQROLYCL-UHFFFAOYSA-N 0 0 337.767 2.961 10 5 EFBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1O ZINC001651187276 1093536473 /nfs/dbraw/zinc/53/64/73/1093536473.db2.gz RMBFOGFMJQSEOT-GHMZBOCLSA-N 0 0 330.344 2.771 10 5 EFBERN CCOC(=O)c1ccnc(NCc2cccc(C(C)=O)c2)c1[N+](=O)[O-] ZINC001651198230 1093538444 /nfs/dbraw/zinc/53/84/44/1093538444.db2.gz PFFKFGUWAHGQEO-UHFFFAOYSA-N 0 0 343.339 2.981 10 5 EFBERN COc1ccc(N2C[C@@H](Nc3ccc([N+](=O)[O-])cc3F)CC2=O)cc1 ZINC001651226544 1093542304 /nfs/dbraw/zinc/54/23/04/1093542304.db2.gz DIBCBEOUFJKPQG-NSHDSACASA-N 0 0 345.330 2.960 10 5 EFBERN CCOC(=O)[C@@]1(C)CCC[C@@H]1Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC001651280423 1093549120 /nfs/dbraw/zinc/54/91/20/1093549120.db2.gz LVPDDFQEVUBGIH-HOCLYGCPSA-N 0 0 340.351 2.760 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(Sc3nnnn3-c3ccccc3)nc2c1 ZINC001651303215 1093550316 /nfs/dbraw/zinc/55/03/16/1093550316.db2.gz ICADZDROJGBASU-UHFFFAOYSA-N 0 0 339.340 2.598 10 5 EFBERN CCOC(=O)N1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001651303272 1093550690 /nfs/dbraw/zinc/55/06/90/1093550690.db2.gz KRCDSALKKZGJNT-UHFFFAOYSA-N 0 0 347.293 2.892 10 5 EFBERN CC[C@@H](OC(=O)Cc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC001267374234 1094356141 /nfs/dbraw/zinc/35/61/41/1094356141.db2.gz FSAXXUPIRHDRBR-CYBMUJFWSA-N 0 0 347.375 2.573 10 5 EFBERN CCCCS(=O)(=O)CC(=O)O[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001267374647 1094357947 /nfs/dbraw/zinc/35/79/47/1094357947.db2.gz QRMFVZGLDXTBJR-CQSZACIVSA-N 0 0 343.401 2.804 10 5 EFBERN O=C(COc1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000780353897 1094403290 /nfs/dbraw/zinc/40/32/90/1094403290.db2.gz LIOUEZCQAZJXGS-UHFFFAOYSA-N 0 0 347.108 2.557 10 5 EFBERN CCn1ncc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1C ZINC001594196185 1094422286 /nfs/dbraw/zinc/42/22/86/1094422286.db2.gz UCMIAHCASOFLGE-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN C[C@@H](NC(=O)c1nnc(-c2ccco2)o1)c1ccccc1[N+](=O)[O-] ZINC001594587481 1094431597 /nfs/dbraw/zinc/43/15/97/1094431597.db2.gz XXHVLKDUZUKIFJ-SECBINFHSA-N 0 0 328.284 2.729 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001595394616 1094465385 /nfs/dbraw/zinc/46/53/85/1094465385.db2.gz KVOYOPUOGSEWBT-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN CCc1nccn1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001595406878 1094465556 /nfs/dbraw/zinc/46/55/56/1094465556.db2.gz OGKBDNJGFJSZJF-UHFFFAOYSA-N 0 0 334.401 2.506 10 5 EFBERN Cc1ccc(CNC(=O)c2cnc3ccccc3c2O)cc1[N+](=O)[O-] ZINC001595507987 1094474353 /nfs/dbraw/zinc/47/43/53/1094474353.db2.gz ACSXCOYPFMKRIC-UHFFFAOYSA-N 0 0 337.335 2.675 10 5 EFBERN COc1cc(OC)cc([C@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC001595521662 1094475855 /nfs/dbraw/zinc/47/58/55/1094475855.db2.gz FHNBSKJKBAOSMF-NSHDSACASA-N 0 0 349.343 2.503 10 5 EFBERN CCCN1C[C@@H](C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)CC1=O ZINC001595543673 1094476671 /nfs/dbraw/zinc/47/66/71/1094476671.db2.gz NTHMBYOZRCHPAY-ZDUSSCGKSA-N 0 0 334.372 2.513 10 5 EFBERN Cn1cc(COC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c(Cl)n1 ZINC001595545517 1094476909 /nfs/dbraw/zinc/47/69/09/1094476909.db2.gz MJGNWNXIKYICSU-UHFFFAOYSA-N 0 0 331.662 2.617 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cnc2nccn2c1 ZINC001595544740 1094477044 /nfs/dbraw/zinc/47/70/44/1094477044.db2.gz XOSVWJZKSDNPSE-UHFFFAOYSA-N 0 0 326.312 2.611 10 5 EFBERN CN(C)C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001595575734 1094478148 /nfs/dbraw/zinc/47/81/48/1094478148.db2.gz VDSAKISWNYBIHO-UHFFFAOYSA-N 0 0 345.330 2.617 10 5 EFBERN COc1cc(COC(=O)[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])cc1F ZINC000785245587 1094479389 /nfs/dbraw/zinc/47/93/89/1094479389.db2.gz BXPSBZPKZNQKLJ-GFCCVEGCSA-N 0 0 327.308 2.743 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001595613612 1094479903 /nfs/dbraw/zinc/47/99/03/1094479903.db2.gz MKNNHIMFJDAIJU-CQSZACIVSA-N 0 0 340.383 2.894 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1 ZINC001595676364 1094484060 /nfs/dbraw/zinc/48/40/60/1094484060.db2.gz PICMKJHSDISVQG-UHFFFAOYSA-N 0 0 342.330 2.973 10 5 EFBERN CCCOc1cc(F)ccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001595699045 1094485073 /nfs/dbraw/zinc/48/50/73/1094485073.db2.gz ZSRHAEBOYIUZKQ-UHFFFAOYSA-N 0 0 334.307 2.752 10 5 EFBERN Cc1ccn2cnnc2c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001595733767 1094488583 /nfs/dbraw/zinc/48/85/83/1094488583.db2.gz TUSCAIFTDJLBGN-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN COc1cc(CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1O ZINC001595736226 1094490291 /nfs/dbraw/zinc/49/02/91/1094490291.db2.gz WKQKHZNBNXFMHW-UHFFFAOYSA-N 0 0 344.367 2.898 10 5 EFBERN CCn1nc(C)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001595858076 1094499258 /nfs/dbraw/zinc/49/92/58/1094499258.db2.gz VJZPRSAXUQAGLT-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cnc(Cl)cc1C(F)(F)F ZINC001595864040 1094499272 /nfs/dbraw/zinc/49/92/72/1094499272.db2.gz IZZRYEBKBKPDHG-UHFFFAOYSA-N 0 0 335.629 2.637 10 5 EFBERN CCOCc1nc([C@H](C)NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])no1 ZINC001596004049 1094508321 /nfs/dbraw/zinc/50/83/21/1094508321.db2.gz OPXAQARETALKGF-NSHDSACASA-N 0 0 348.359 2.622 10 5 EFBERN COc1cncnc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001596088384 1094512448 /nfs/dbraw/zinc/51/24/48/1094512448.db2.gz VJRSBZFVEONRDN-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC001596200778 1094519071 /nfs/dbraw/zinc/51/90/71/1094519071.db2.gz QBVFSNZMGJUCIX-UHFFFAOYSA-N 0 0 349.318 2.934 10 5 EFBERN C[C@H](OC(=O)c1ccc(Cn2ccnn2)o1)c1ccccc1[N+](=O)[O-] ZINC001596216010 1094519154 /nfs/dbraw/zinc/51/91/54/1094519154.db2.gz HUQRWSHOAFEGGY-NSHDSACASA-N 0 0 342.311 2.746 10 5 EFBERN COc1cc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc(OC)c1C ZINC001596200685 1094519181 /nfs/dbraw/zinc/51/91/81/1094519181.db2.gz MIFSYJPRPRWWLF-UHFFFAOYSA-N 0 0 347.327 2.576 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1c(F)ccc(F)c1F ZINC001596210235 1094519345 /nfs/dbraw/zinc/51/93/45/1094519345.db2.gz ITILAMMEPXVVQL-UHFFFAOYSA-N 0 0 327.218 2.668 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnccc2-c2ccc(F)cc2)n1 ZINC001596253725 1094521916 /nfs/dbraw/zinc/52/19/16/1094521916.db2.gz ZJIZNJRONLSUJD-UHFFFAOYSA-N 0 0 341.302 2.782 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1COc2ccccc21 ZINC001596243780 1094522390 /nfs/dbraw/zinc/52/23/90/1094522390.db2.gz SFHXAYWXONVAAA-NSHDSACASA-N 0 0 330.315 2.948 10 5 EFBERN COc1cc(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccn1 ZINC001596261363 1094523264 /nfs/dbraw/zinc/52/32/64/1094523264.db2.gz NUXXOFFUHFTTKL-UHFFFAOYSA-N 0 0 335.747 2.624 10 5 EFBERN O=C(Cc1cc(C(F)(F)F)ccn1)NCc1ccccc1[N+](=O)[O-] ZINC001596290857 1094524941 /nfs/dbraw/zinc/52/49/41/1094524941.db2.gz NNYAHVJNBPVFPF-UHFFFAOYSA-N 0 0 339.273 2.868 10 5 EFBERN Cn1cc(Cl)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC001596386756 1094529574 /nfs/dbraw/zinc/52/95/74/1094529574.db2.gz LFFCGHKYOXDDIH-UHFFFAOYSA-N 0 0 326.765 2.713 10 5 EFBERN CCNC(=O)c1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001596466974 1094532274 /nfs/dbraw/zinc/53/22/74/1094532274.db2.gz DFXUVUPVUGQBJS-UHFFFAOYSA-N 0 0 345.330 2.665 10 5 EFBERN CN(CCCCc1ccccc1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001596467804 1094533201 /nfs/dbraw/zinc/53/32/01/1094533201.db2.gz XUCHIQBZDILLIY-UHFFFAOYSA-N 0 0 328.372 2.667 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC(C)(C)C(=O)OC(C)(C)C ZINC001596621552 1094539062 /nfs/dbraw/zinc/53/90/62/1094539062.db2.gz WPMWLALLCFVQGB-UHFFFAOYSA-N 0 0 340.351 2.892 10 5 EFBERN COc1c(C(=O)NCc2c(C)cc(CO)cc2C)cccc1[N+](=O)[O-] ZINC001596679511 1094541599 /nfs/dbraw/zinc/54/15/99/1094541599.db2.gz USCTWGFMTURDOE-UHFFFAOYSA-N 0 0 344.367 2.643 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(c2ncon2)CC1 ZINC001596834026 1094548289 /nfs/dbraw/zinc/54/82/89/1094548289.db2.gz ZXNKISYHIGAPFL-UHFFFAOYSA-N 0 0 342.311 2.744 10 5 EFBERN C[C@@H](COCC1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001596890227 1094550961 /nfs/dbraw/zinc/55/09/61/1094550961.db2.gz XRGAMXJSFMFGHQ-LBPRGKRZSA-N 0 0 335.404 2.892 10 5 EFBERN COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001596983838 1094556721 /nfs/dbraw/zinc/55/67/21/1094556721.db2.gz WOUASYZSLMQUFN-UQSGXBNBSA-N 0 0 344.323 2.865 10 5 EFBERN C[C@H](NC(=O)c1ccnc(-c2ccccn2)n1)c1ccccc1[N+](=O)[O-] ZINC001596983311 1094557176 /nfs/dbraw/zinc/55/71/76/1094557176.db2.gz FJYMYNBCUPCOCE-LBPRGKRZSA-N 0 0 349.350 2.938 10 5 EFBERN Cc1ncc(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])o1 ZINC001597046607 1094562647 /nfs/dbraw/zinc/56/26/47/1094562647.db2.gz SZFGOIGIYIAEMS-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001597164596 1094568528 /nfs/dbraw/zinc/56/85/28/1094568528.db2.gz XVMAQARQHWHEQF-JDPNTUOHSA-N 0 0 346.383 2.845 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)c1 ZINC001597157143 1094568966 /nfs/dbraw/zinc/56/89/66/1094568966.db2.gz RLGAWVISBTVDFI-LBPRGKRZSA-N 0 0 340.335 2.667 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC001597237414 1094573043 /nfs/dbraw/zinc/57/30/43/1094573043.db2.gz JSBGZJHLTVYLJO-UHFFFAOYSA-N 0 0 336.351 2.957 10 5 EFBERN Cc1n[nH]c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1C(F)(F)F ZINC001597237505 1094573372 /nfs/dbraw/zinc/57/33/72/1094573372.db2.gz NDJHMIULRJNHNO-UHFFFAOYSA-N 0 0 342.277 2.618 10 5 EFBERN COc1ccc(NC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)cc1[N+](=O)[O-] ZINC001597260410 1094574974 /nfs/dbraw/zinc/57/49/74/1094574974.db2.gz JZCMYPMSCVMMQP-BXKDBHETSA-N 0 0 330.344 2.631 10 5 EFBERN CCc1nc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c[nH]1 ZINC001597249807 1094575060 /nfs/dbraw/zinc/57/50/60/1094575060.db2.gz BPEQWUFCMPQLSH-UHFFFAOYSA-N 0 0 342.277 2.829 10 5 EFBERN COc1ccc(NC(=O)[C@](C)(O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001597260778 1094575589 /nfs/dbraw/zinc/57/55/89/1094575589.db2.gz YABZOIZOQKQDBC-MRXNPFEDSA-N 0 0 334.303 2.589 10 5 EFBERN COc1ccc(NC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)cc1[N+](=O)[O-] ZINC001597260411 1094576423 /nfs/dbraw/zinc/57/64/23/1094576423.db2.gz JZCMYPMSCVMMQP-CABZTGNLSA-N 0 0 330.344 2.631 10 5 EFBERN COC(=O)c1cccc(CC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001597278260 1094577286 /nfs/dbraw/zinc/57/72/86/1094577286.db2.gz GUIUYONSVQKKCZ-UHFFFAOYSA-N 0 0 342.351 2.549 10 5 EFBERN O=C(NC1(c2ncon2)CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001597287777 1094577582 /nfs/dbraw/zinc/57/75/82/1094577582.db2.gz QLAOUGQENUXXBU-UONOGXRCSA-N 0 0 342.355 2.667 10 5 EFBERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001597303318 1094578083 /nfs/dbraw/zinc/57/80/83/1094578083.db2.gz FPJGHFHBGVZZTI-MRXNPFEDSA-N 0 0 338.323 2.657 10 5 EFBERN Cc1nc2c(cccc2CCNC(=O)c2cc([N+](=O)[O-])cc(C)n2)o1 ZINC001597300692 1094578161 /nfs/dbraw/zinc/57/81/61/1094578161.db2.gz MWHDCCAOSSTAIC-UHFFFAOYSA-N 0 0 340.339 2.720 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1noc2ccc(F)cc21 ZINC001597320959 1094579899 /nfs/dbraw/zinc/57/98/99/1094579899.db2.gz KAZQZLXCBOCPPN-UHFFFAOYSA-N 0 0 347.277 2.873 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC001597352339 1094582023 /nfs/dbraw/zinc/58/20/23/1094582023.db2.gz DGQBZZRBXXEIDB-LLVKDONJSA-N 0 0 342.351 2.857 10 5 EFBERN Cc1csc(C[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)n1 ZINC001597381622 1094584397 /nfs/dbraw/zinc/58/43/97/1094584397.db2.gz ZJBWHZSMJURZRE-LLVKDONJSA-N 0 0 346.412 2.647 10 5 EFBERN COC(C)(C)CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001597408732 1094586839 /nfs/dbraw/zinc/58/68/39/1094586839.db2.gz KTDRFUVRSDATLT-UHFFFAOYSA-N 0 0 331.372 2.875 10 5 EFBERN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001597447074 1094588005 /nfs/dbraw/zinc/58/80/05/1094588005.db2.gz GXIIAYVCVXMNPN-UONOGXRCSA-N 0 0 341.323 2.519 10 5 EFBERN COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001597447072 1094588254 /nfs/dbraw/zinc/58/82/54/1094588254.db2.gz GXIIAYVCVXMNPN-KBPBESRZSA-N 0 0 341.323 2.519 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H](c2ncccn2)C1 ZINC001597501833 1094593882 /nfs/dbraw/zinc/59/38/82/1094593882.db2.gz JBCKFAMNZUMSAS-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc(C2CC2)no1 ZINC001597531548 1094596152 /nfs/dbraw/zinc/59/61/52/1094596152.db2.gz AWPTTYHNFLBURK-UHFFFAOYSA-N 0 0 330.344 2.579 10 5 EFBERN CN(C)c1cc(F)c(C(=O)NCc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC001597532226 1094596781 /nfs/dbraw/zinc/59/67/81/1094596781.db2.gz IKHUMEYBZBKAAH-UHFFFAOYSA-N 0 0 348.334 2.595 10 5 EFBERN Cc1c(CC(=O)Nc2ccc3c(c2)NC(=O)C3)cccc1[N+](=O)[O-] ZINC001597549457 1094598508 /nfs/dbraw/zinc/59/85/08/1094598508.db2.gz QBGNMRCXUCVDBP-UHFFFAOYSA-N 0 0 325.324 2.579 10 5 EFBERN O=C(NCc1noc2ccccc21)c1cc(F)c([N+](=O)[O-])cc1F ZINC001597555638 1094601102 /nfs/dbraw/zinc/60/11/02/1094601102.db2.gz LLDAQKAHFJYHHM-UHFFFAOYSA-N 0 0 333.250 2.944 10 5 EFBERN O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001597617613 1094606892 /nfs/dbraw/zinc/60/68/92/1094606892.db2.gz NXKAYNYLNDZWDX-HNNXBMFYSA-N 0 0 325.324 2.798 10 5 EFBERN C[C@@H]1CC(C)(C)CN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001597630909 1094607309 /nfs/dbraw/zinc/60/73/09/1094607309.db2.gz INXYLAUBFQCQJX-IAQYHMDHSA-N 0 0 331.372 2.735 10 5 EFBERN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001597619667 1094607556 /nfs/dbraw/zinc/60/75/56/1094607556.db2.gz OFAQXJCLVQDTHW-LLVKDONJSA-N 0 0 345.311 2.759 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C/[C@H]1COC(C)(C)O1)CC2 ZINC001597625516 1094607586 /nfs/dbraw/zinc/60/75/86/1094607586.db2.gz BNGPTQGHRGCKHR-IHVVCDCBSA-N 0 0 332.356 2.500 10 5 EFBERN C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1csnn1 ZINC001597732010 1094616850 /nfs/dbraw/zinc/61/68/50/1094616850.db2.gz MXLQVPPLJJWTLL-VIFPVBQESA-N 0 0 332.341 2.705 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2cnn(C)c2n1 ZINC001597725439 1094616876 /nfs/dbraw/zinc/61/68/76/1094616876.db2.gz DUTTYOYLHUQRHU-NSHDSACASA-N 0 0 339.355 2.676 10 5 EFBERN O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001597727273 1094617446 /nfs/dbraw/zinc/61/74/46/1094617446.db2.gz RVKCJOVNBAMSBB-ZFWWWQNUSA-N 0 0 334.278 2.936 10 5 EFBERN COc1c(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)cccc1[N+](=O)[O-] ZINC001597727202 1094617819 /nfs/dbraw/zinc/61/78/19/1094617819.db2.gz QIMFZCVGZCDGAM-WFASDCNBSA-N 0 0 346.314 2.805 10 5 EFBERN CC(C)c1nc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c[nH]1 ZINC001597811987 1094628451 /nfs/dbraw/zinc/62/84/51/1094628451.db2.gz PGKKCCZVDUSRPF-UHFFFAOYSA-N 0 0 327.344 2.853 10 5 EFBERN COc1ccc(C(=O)NCc2noc3cc(F)ccc23)cc1[N+](=O)[O-] ZINC001597856652 1094632175 /nfs/dbraw/zinc/63/21/75/1094632175.db2.gz NFHSESRYKAKBDK-UHFFFAOYSA-N 0 0 345.286 2.814 10 5 EFBERN COc1c(C(=O)NCc2noc3cc(F)ccc23)cccc1[N+](=O)[O-] ZINC001597861641 1094633457 /nfs/dbraw/zinc/63/34/57/1094633457.db2.gz NZAKPSNTNMEYFK-UHFFFAOYSA-N 0 0 345.286 2.814 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1ccc2cccnc2c1 ZINC001597918671 1094639753 /nfs/dbraw/zinc/63/97/53/1094639753.db2.gz CKIZKVWOTWVGEZ-UHFFFAOYSA-N 0 0 338.323 2.728 10 5 EFBERN Cc1nn(CC(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c2ncccc12 ZINC001597924740 1094640440 /nfs/dbraw/zinc/64/04/40/1094640440.db2.gz ZPRGAMDJGHNCFM-LBPRGKRZSA-N 0 0 340.339 2.952 10 5 EFBERN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001597931712 1094642497 /nfs/dbraw/zinc/64/24/97/1094642497.db2.gz BLIWLZCBOGTIAC-WFASDCNBSA-N 0 0 340.807 2.800 10 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1094668031 /nfs/dbraw/zinc/66/80/31/1094668031.db2.gz FNLCDFWZCVFQFY-DEOSSOPVSA-N 0 0 348.336 2.621 10 5 EFBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC001598314752 1094669771 /nfs/dbraw/zinc/66/97/71/1094669771.db2.gz FHDFIPBIOOMLDP-UHFFFAOYSA-N 0 0 336.145 2.682 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001598389305 1094675518 /nfs/dbraw/zinc/67/55/18/1094675518.db2.gz QICYOARDMDFENH-UHFFFAOYSA-N 0 0 347.758 2.884 10 5 EFBERN CCC[C@H](O)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001598452419 1094680217 /nfs/dbraw/zinc/68/02/17/1094680217.db2.gz MUESKAPAYGXQQA-ZDUSSCGKSA-N 0 0 349.412 2.999 10 5 EFBERN CC1CCN(c2ccc(F)cc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001598483538 1094681795 /nfs/dbraw/zinc/68/17/95/1094681795.db2.gz NGEAXAFDGXVKMF-UHFFFAOYSA-N 0 0 347.350 2.946 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Cl)nnc2C1 ZINC000843622984 1094701204 /nfs/dbraw/zinc/70/12/04/1094701204.db2.gz QFLNOCQDLXTFQD-UHFFFAOYSA-N 0 0 332.747 2.545 10 5 EFBERN C/C(=C/C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC001125790382 1094707225 /nfs/dbraw/zinc/70/72/25/1094707225.db2.gz CZLHXPXXVYTSHE-FLIBITNWSA-N 0 0 330.296 2.773 10 5 EFBERN CCC[N@H+](CCNC(=O)c1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001481128902 1094870095 /nfs/dbraw/zinc/87/00/95/1094870095.db2.gz ZOCOPEOQJFQFLC-UHFFFAOYSA-N 0 0 342.399 2.632 10 5 EFBERN O=C(NCc1ccoc1)c1c(Br)cccc1[N+](=O)[O-] ZINC001126245812 1094917058 /nfs/dbraw/zinc/91/70/58/1094917058.db2.gz CDQYUIAAFSAAIY-UHFFFAOYSA-N 0 0 325.118 2.880 10 5 EFBERN CC(C)(CCC(=O)NCC[C@@H]1CSc2ccccc2O1)[N+](=O)[O-] ZINC000843635774 1094918056 /nfs/dbraw/zinc/91/80/56/1094918056.db2.gz FPYZTCKLIHSQAE-GFCCVEGCSA-N 0 0 338.429 2.882 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)c1 ZINC001625910209 1095017465 /nfs/dbraw/zinc/01/74/65/1095017465.db2.gz JHIJMXVJWDQYPE-CJNGLKHVSA-N 0 0 346.314 2.805 10 5 EFBERN COc1ccn2c(c1)ncc2C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001625915165 1095165249 /nfs/dbraw/zinc/16/52/49/1095165249.db2.gz DROZLPIVMAGMMO-NSHDSACASA-N 0 0 340.339 2.742 10 5 EFBERN O=C(CCC1CCCC1)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001481542447 1095211442 /nfs/dbraw/zinc/21/14/42/1095211442.db2.gz YBQQDJLBBILWJX-UHFFFAOYSA-N 0 0 331.416 2.866 10 5 EFBERN O=C(NCC1(c2cccc(Cl)c2)CCC1)c1[nH]ncc1[N+](=O)[O-] ZINC001648932661 1095231354 /nfs/dbraw/zinc/23/13/54/1095231354.db2.gz MWBPYYPSTMFAPU-UHFFFAOYSA-N 0 0 334.763 2.823 10 5 EFBERN COC(=O)c1cc(NC(=O)c2nccc3occc32)cc([N+](=O)[O-])c1 ZINC001126300077 1095266561 /nfs/dbraw/zinc/26/65/61/1095266561.db2.gz JUVQYGYGZIDIQK-UHFFFAOYSA-N 0 0 341.279 2.775 10 5 EFBERN CC1(CC(=O)NC2CN(Cc3csc([N+](=O)[O-])c3)C2)CCCC1 ZINC001481555935 1095283349 /nfs/dbraw/zinc/28/33/49/1095283349.db2.gz IYACWAVDUHYZBA-UHFFFAOYSA-N 0 0 337.445 2.927 10 5 EFBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)COc2ccccc2O1 ZINC001167839074 1095344948 /nfs/dbraw/zinc/34/49/48/1095344948.db2.gz AFVUJKYIWFORDP-QGZVFWFLSA-N 0 0 346.314 2.694 10 5 EFBERN CCc1[nH]nc(C(=O)N(C)c2cccc3cccnc32)c1[N+](=O)[O-] ZINC001625892538 1095622365 /nfs/dbraw/zinc/62/23/65/1095622365.db2.gz FZKZFQZWRCANRV-UHFFFAOYSA-N 0 0 325.328 2.705 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc2c1NC(=O)CO2 ZINC001125863942 1095652365 /nfs/dbraw/zinc/65/23/65/1095652365.db2.gz GRNODVSJAAHZFX-UHFFFAOYSA-N 0 0 347.714 2.831 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@]2(CCSC2)C1 ZINC000843627883 1095990192 /nfs/dbraw/zinc/99/01/92/1095990192.db2.gz CFMAXIYSXNJKGB-CQSZACIVSA-N 0 0 342.804 2.596 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000843629128 1096014741 /nfs/dbraw/zinc/01/47/41/1096014741.db2.gz OCQJWAOFCQSVAE-RTGRKSDTSA-N 0 0 348.424 2.733 10 5 EFBERN Cc1cccnc1C(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001268231764 1096143431 /nfs/dbraw/zinc/14/34/31/1096143431.db2.gz GSCYANGHDFQXTJ-UHFFFAOYSA-N 0 0 342.399 2.502 10 5 EFBERN Cc1cocc1C(=O)N(C)CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001268246416 1096173858 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EFBERN CSc1cccc(C(=O)N(C)C[C@H](O)c2cccnc2)c1[N+](=O)[O-] ZINC001603620989 1096568492 /nfs/dbraw/zinc/56/84/92/1096568492.db2.gz HUNVGPQHHCJWMF-ZDUSSCGKSA-N 0 0 347.396 2.517 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1SC ZINC000843711499 1096634927 /nfs/dbraw/zinc/63/49/27/1096634927.db2.gz QYEGHYFFUAJEEX-RTXFEEFZSA-N 0 0 346.355 2.512 10 5 EFBERN Cc1coc(C(=O)NC/C=C/CNCc2csc([N+](=O)[O-])c2)c1 ZINC001268579822 1097282130 /nfs/dbraw/zinc/28/21/30/1097282130.db2.gz HKDWPMNYJJMIFE-NSCUHMNNSA-N 0 0 335.385 2.634 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC001623039225 1097285475 /nfs/dbraw/zinc/28/54/75/1097285475.db2.gz BAYLQIHPECWFQH-QMMMGPOBSA-N 0 0 338.751 2.750 10 5 EFBERN Cc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)cc1[N+](=O)[O-] ZINC001626192539 1097447971 /nfs/dbraw/zinc/44/79/71/1097447971.db2.gz OYRBPAGEWWJHFS-UHFFFAOYSA-N 0 0 340.295 2.761 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc3c[nH]nc32)n1 ZINC001606843311 1097462746 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335.429 2.727 10 5 EFBERN O=C(NCC1CN(Cc2ccccc2[N+](=O)[O-])C1)C1(F)CCCCC1 ZINC001268892631 1097703411 /nfs/dbraw/zinc/70/34/11/1097703411.db2.gz YPRQXKHDCJXQKP-UHFFFAOYSA-N 0 0 349.406 2.815 10 5 EFBERN CCC(CC)CC(=O)NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001268892119 1097704118 /nfs/dbraw/zinc/70/41/18/1097704118.db2.gz OQTDIYHOORZORP-UHFFFAOYSA-N 0 0 333.432 2.969 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1CCO ZINC001141479590 1097903645 /nfs/dbraw/zinc/90/36/45/1097903645.db2.gz DAGZWPGPRMJVLN-GFCCVEGCSA-N 0 0 326.780 2.554 10 5 EFBERN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001269184334 1097929353 /nfs/dbraw/zinc/92/93/53/1097929353.db2.gz VELCGQYCSQPQTP-HNNXBMFYSA-N 0 0 349.387 2.540 10 5 EFBERN Cc1cc(C)c(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c(=O)o1 ZINC001269436311 1098136528 /nfs/dbraw/zinc/13/65/28/1098136528.db2.gz GZZXVRFKNYNYPI-UHFFFAOYSA-N 0 0 332.312 2.534 10 5 EFBERN Cc1cnc(COC(=O)c2c3c(ccc2F)OCO3)c(C)c1[N+](=O)[O-] ZINC001269436709 1098136645 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2.563 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC/C=C\c1cccnc1 ZINC001625348483 1099797924 /nfs/dbraw/zinc/79/79/24/1099797924.db2.gz FOFIKYKNTYWJPM-RQOWECAXSA-N 0 0 336.351 2.774 10 5 EFBERN CN(Cc1ccoc1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001625403298 1099805368 /nfs/dbraw/zinc/80/53/68/1099805368.db2.gz UMWOFPNPIITTJS-UHFFFAOYSA-N 0 0 326.312 2.850 10 5 EFBERN CC(C)COc1ccccc1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001625432710 1099809591 /nfs/dbraw/zinc/80/95/91/1099809591.db2.gz BTXVLTPGROYKON-UHFFFAOYSA-N 0 0 344.371 2.537 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000843681263 1099814231 /nfs/dbraw/zinc/81/42/31/1099814231.db2.gz HNVRLIIXBJJTHH-LBPRGKRZSA-N 0 0 340.351 2.750 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001625598181 1099831183 /nfs/dbraw/zinc/83/11/83/1099831183.db2.gz PRCVNIOFULIGRR-UHFFFAOYSA-N 0 0 345.286 2.819 10 5 EFBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)CCC2 ZINC001625628936 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CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC001625752904 1099849325 /nfs/dbraw/zinc/84/93/25/1099849325.db2.gz CCRULKWTPBXMKS-JTQLQIEISA-N 0 0 335.385 2.850 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N=[S@@]1(=O)CCc2ccccc21 ZINC001626315638 1099860123 /nfs/dbraw/zinc/86/01/23/1099860123.db2.gz OOVCVFQKTCVQCT-XMMPIXPASA-N 0 0 346.364 2.827 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OC2CCCC2)CC1 ZINC001626413704 1099872754 /nfs/dbraw/zinc/87/27/54/1099872754.db2.gz VAUBWCJLRUUANP-UHFFFAOYSA-N 0 0 333.388 2.741 10 5 EFBERN CCOC(=O)[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC001626435511 1099875608 /nfs/dbraw/zinc/87/56/08/1099875608.db2.gz QDYDENNZVCDAII-ZDUSSCGKSA-N 0 0 348.277 2.517 10 5 EFBERN CCOC(=O)[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC001626435510 1099875626 /nfs/dbraw/zinc/87/56/26/1099875626.db2.gz QDYDENNZVCDAII-CYBMUJFWSA-N 0 0 348.277 2.517 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)COc1ccc(F)cc1 ZINC001626444444 1099876240 /nfs/dbraw/zinc/87/62/40/1099876240.db2.gz CLEMAXLBICZZCA-NSHDSACASA-N 0 0 347.346 2.973 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2CCc3c2cccc3Cl)cc1[N+](=O)[O-] ZINC001626635052 1099900928 /nfs/dbraw/zinc/90/09/28/1099900928.db2.gz DCESRJKUAYCNTJ-GFCCVEGCSA-N 0 0 332.747 2.643 10 5 EFBERN Cc1cc(C(=O)NCCc2cccc3c2OCCO3)cc([N+](=O)[O-])c1 ZINC001626632514 1099900994 /nfs/dbraw/zinc/90/09/94/1099900994.db2.gz AWMCTKADYUUKOH-UHFFFAOYSA-N 0 0 342.351 2.647 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC001626661374 1099902011 /nfs/dbraw/zinc/90/20/11/1099902011.db2.gz VLXCRQGGUXUGSW-BMIGLBTASA-N 0 0 338.791 2.817 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCn2ncnc21 ZINC001626725197 1099909634 /nfs/dbraw/zinc/90/96/34/1099909634.db2.gz IGGGXWRANVBYJK-HNNXBMFYSA-N 0 0 343.387 2.501 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCn2ncnc21 ZINC001626725198 1099910723 /nfs/dbraw/zinc/91/07/23/1099910723.db2.gz IGGGXWRANVBYJK-OAHLLOKOSA-N 0 0 343.387 2.501 10 5 EFBERN Cc1ccc(C(F)(F)C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001626766712 1099915866 /nfs/dbraw/zinc/91/58/66/1099915866.db2.gz OBMLIQOEUNEUNC-UHFFFAOYSA-N 0 0 349.293 2.733 10 5 EFBERN CC(C)c1ncsc1C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001626766710 1099916182 /nfs/dbraw/zinc/91/61/82/1099916182.db2.gz NYIDZLBQQBCEHS-UHFFFAOYSA-N 0 0 334.357 2.526 10 5 EFBERN NC(=O)c1cc(NC(=O)c2ccc3ncsc3c2)ccc1[N+](=O)[O-] ZINC001626762462 1099916242 /nfs/dbraw/zinc/91/62/42/1099916242.db2.gz LHBYYTUVACNGGT-UHFFFAOYSA-N 0 0 342.336 2.556 10 5 EFBERN Cn1nc2c(c1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC001626825824 1099922534 /nfs/dbraw/zinc/92/25/34/1099922534.db2.gz NWWCGUYUGUYWEQ-UHFFFAOYSA-N 0 0 334.763 2.652 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1O ZINC001626853934 1099927485 /nfs/dbraw/zinc/92/74/85/1099927485.db2.gz BYJXQBSMVZLXFH-UHFFFAOYSA-N 0 0 338.266 2.986 10 5 EFBERN Cc1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001626894955 1099932870 /nfs/dbraw/zinc/93/28/70/1099932870.db2.gz NSSGKWWCOUWKOJ-UHFFFAOYSA-N 0 0 349.387 2.690 10 5 EFBERN Cc1noc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)n1 ZINC001626937742 1099939026 /nfs/dbraw/zinc/93/90/26/1099939026.db2.gz HUJKYSYSTBYBMH-ZDUSSCGKSA-N 0 0 344.371 2.690 10 5 EFBERN COc1ccnc(OC)c1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001626953353 1099940131 /nfs/dbraw/zinc/94/01/31/1099940131.db2.gz UHOBZUGPBMBEEK-NSHDSACASA-N 0 0 345.355 2.541 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC001626952888 1099940438 /nfs/dbraw/zinc/94/04/38/1099940438.db2.gz MTYOSKBGXKYRNT-GFCCVEGCSA-N 0 0 329.356 2.922 10 5 EFBERN O=C(NCc1nc2ccccc2[nH]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001626976142 1099942882 /nfs/dbraw/zinc/94/28/82/1099942882.db2.gz IBGGKKODGBOUSX-KGLIPLIRSA-N 0 0 336.351 2.891 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(COCCO)cc1 ZINC001627041465 1099950047 /nfs/dbraw/zinc/95/00/47/1099950047.db2.gz VOCHYJCQDCLSPJ-UHFFFAOYSA-N 0 0 330.340 2.664 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCC(=O)OC ZINC001627138862 1099960464 /nfs/dbraw/zinc/96/04/64/1099960464.db2.gz ABPKAJLOWQXTQG-AWEZNQCLSA-N 0 0 336.388 2.623 10 5 EFBERN CN(Cc1nnc2ccccn21)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001627143169 1099962095 /nfs/dbraw/zinc/96/20/95/1099962095.db2.gz IDSFNPCNFBMMQM-UHFFFAOYSA-N 0 0 345.746 2.563 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C ZINC001627155979 1099962134 /nfs/dbraw/zinc/96/21/34/1099962134.db2.gz VUYMLIAHCJTVOI-UHFFFAOYSA-N 0 0 343.339 2.954 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001627183722 1099966869 /nfs/dbraw/zinc/96/68/69/1099966869.db2.gz JBTJTJZYIIWJII-UHFFFAOYSA-N 0 0 331.328 2.822 10 5 EFBERN Cc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1[N+](=O)[O-] ZINC000040884317 1099969592 /nfs/dbraw/zinc/96/95/92/1099969592.db2.gz JMRQWJNXTVJAOS-LLVKDONJSA-N 0 0 334.357 2.859 10 5 EFBERN O=C(Nc1cc(-c2cccs2)[nH]n1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001627221023 1099970085 /nfs/dbraw/zinc/97/00/85/1099970085.db2.gz SUCANOLFWQLGIR-AWEZNQCLSA-N 0 0 344.352 2.719 10 5 EFBERN COCCCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001627212864 1099970182 /nfs/dbraw/zinc/97/01/82/1099970182.db2.gz OXKKZUXMVUJTFF-UHFFFAOYSA-N 0 0 333.747 2.516 10 5 EFBERN COc1cnc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)s1 ZINC001627373489 1099985944 /nfs/dbraw/zinc/98/59/44/1099985944.db2.gz SNRUFPZYQJVVAC-UHFFFAOYSA-N 0 0 329.284 2.899 10 5 EFBERN COc1cc(C(=O)N[C@H](CCO)c2ccccc2F)ccc1[N+](=O)[O-] ZINC001627371984 1099986652 /nfs/dbraw/zinc/98/66/52/1099986652.db2.gz IZQQPPISJUCLAQ-CQSZACIVSA-N 0 0 348.330 2.596 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)CCN2C ZINC001627392168 1099989091 /nfs/dbraw/zinc/98/90/91/1099989091.db2.gz YVAYNOIKYDOGSA-UHFFFAOYSA-N 0 0 326.356 2.881 10 5 EFBERN O=C(CCc1nccs1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001627581802 1100010331 /nfs/dbraw/zinc/01/03/31/1100010331.db2.gz JGKJFSZQHXSBJY-UHFFFAOYSA-N 0 0 327.312 2.579 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cncc(Cl)c1 ZINC001627586428 1100011807 /nfs/dbraw/zinc/01/18/07/1100011807.db2.gz XELJJLBURKBWPL-UHFFFAOYSA-N 0 0 327.674 2.851 10 5 EFBERN Cc1c(CC(=O)Nc2c[nH]nc2Br)cccc1[N+](=O)[O-] ZINC001627647955 1100018528 /nfs/dbraw/zinc/01/85/28/1100018528.db2.gz KVULARAZUZQNDS-UHFFFAOYSA-N 0 0 339.149 2.570 10 5 EFBERN Nc1ncc(C(=O)Nc2ccnc(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC001627806910 1100034285 /nfs/dbraw/zinc/03/42/85/1100034285.db2.gz RQQFQJWTTDQGGP-UHFFFAOYSA-N 0 0 335.323 2.886 10 5 EFBERN Cc1cc(NC(=O)c2ccc(Cn3ccnn3)cc2)cc([N+](=O)[O-])c1 ZINC001627824252 1100035424 /nfs/dbraw/zinc/03/54/24/1100035424.db2.gz FYHJUKFLGJKCCI-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1cc(NC(=O)c2cccc3c2oc(=O)n3C)cc([N+](=O)[O-])c1 ZINC001627824880 1100036113 /nfs/dbraw/zinc/03/61/13/1100036113.db2.gz UORVEMXSFWPXFB-UHFFFAOYSA-N 0 0 327.296 2.600 10 5 EFBERN Cc1ncsc1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001627941827 1100043776 /nfs/dbraw/zinc/04/37/76/1100043776.db2.gz BKOUAZNRZIMXFX-UHFFFAOYSA-N 0 0 342.380 2.880 10 5 EFBERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001627948766 1100045672 /nfs/dbraw/zinc/04/56/72/1100045672.db2.gz ZHOXORONOCHVJP-JWZBEHFJSA-N 0 0 332.400 2.972 10 5 EFBERN Cc1c(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)n[nH]c1C1CC1 ZINC001628022565 1100050723 /nfs/dbraw/zinc/05/07/23/1100050723.db2.gz ZHJNEDBRTJHLIS-UHFFFAOYSA-N 0 0 335.751 2.992 10 5 EFBERN O=C(Nc1cccc(-n2cnnc2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001628039316 1100053383 /nfs/dbraw/zinc/05/33/83/1100053383.db2.gz MZSOUKWBWFIITD-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cnn(CC(F)F)c2)c1F ZINC001628074368 1100057792 /nfs/dbraw/zinc/05/77/92/1100057792.db2.gz DQOAHCKMFXVZLJ-UHFFFAOYSA-N 0 0 346.240 2.895 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1ccc2[nH]cnc2c1 ZINC001628084169 1100060492 /nfs/dbraw/zinc/06/04/92/1100060492.db2.gz OJTIZHNZKCLQFB-UHFFFAOYSA-N 0 0 342.330 2.859 10 5 EFBERN C[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC(c2ccccc2)=NO1 ZINC001628097559 1100062448 /nfs/dbraw/zinc/06/24/48/1100062448.db2.gz GRYSDBVOGGLYFE-SFHVURJKSA-N 0 0 339.351 2.794 10 5 EFBERN CC[C@](C)(NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1nc(C)cs1 ZINC001628242287 1100080731 /nfs/dbraw/zinc/08/07/31/1100080731.db2.gz QCWWWGCGHJIUFJ-LBPRGKRZSA-N 0 0 343.796 2.791 10 5 EFBERN O=C(N[C@@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001628345361 1100090509 /nfs/dbraw/zinc/09/05/09/1100090509.db2.gz WJFGKVDXCRELSE-ZDUSSCGKSA-N 0 0 338.722 2.851 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(Nc3ccccc3)CC2)n1 ZINC001628516577 1100109518 /nfs/dbraw/zinc/10/95/18/1100109518.db2.gz ZDBFSBZUJCTFTD-UHFFFAOYSA-N 0 0 343.387 2.528 10 5 EFBERN C=CC(=O)Nc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001628523513 1100110007 /nfs/dbraw/zinc/11/00/07/1100110007.db2.gz MWDQAHWTCBRNCY-UHFFFAOYSA-N 0 0 337.335 2.922 10 5 EFBERN CC(C)(NC(=O)c1ccc2nonc2c1)c1ccccc1[N+](=O)[O-] ZINC001628641366 1100118972 /nfs/dbraw/zinc/11/89/72/1100118972.db2.gz NAYHMNRZWXUILF-UHFFFAOYSA-N 0 0 326.312 2.796 10 5 EFBERN COC(=O)c1cc(NC(=O)C(C)(C)c2nccs2)cc([N+](=O)[O-])c1 ZINC001628687054 1100124210 /nfs/dbraw/zinc/12/42/10/1100124210.db2.gz GTJIOMOAAXUXPK-UHFFFAOYSA-N 0 0 349.368 2.754 10 5 EFBERN C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC001628808759 1100137159 /nfs/dbraw/zinc/13/71/59/1100137159.db2.gz KQOJCUKFCVXFPN-IUODEOHRSA-N 0 0 340.383 2.838 10 5 EFBERN Cc1[nH][nH]c(=O)c1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001628817349 1100138684 /nfs/dbraw/zinc/13/86/84/1100138684.db2.gz YAGVVBZYDFECMP-UHFFFAOYSA-N 0 0 330.222 2.603 10 5 EFBERN O=C(Nc1cnc2c(F)cccc2c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001628829303 1100140054 /nfs/dbraw/zinc/14/00/54/1100140054.db2.gz QDMNSGYKGABYFZ-INIZCTEOSA-N 0 0 341.298 2.954 10 5 EFBERN O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001628861509 1100143082 /nfs/dbraw/zinc/14/30/82/1100143082.db2.gz UALMHTWUZGTFIL-UHFFFAOYSA-N 0 0 332.707 2.614 10 5 EFBERN CC(C)COC1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001628959068 1100152837 /nfs/dbraw/zinc/15/28/37/1100152837.db2.gz KPAIGTWRSLGZQQ-UHFFFAOYSA-N 0 0 328.315 2.570 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(NC(N)=O)cc1 ZINC001629152759 1100172528 /nfs/dbraw/zinc/17/25/28/1100172528.db2.gz JRHQNXHBJLWBJK-UHFFFAOYSA-N 0 0 342.355 2.632 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC001629191213 1100179803 /nfs/dbraw/zinc/17/98/03/1100179803.db2.gz VCXGDWGGQYWNNB-GFCCVEGCSA-N 0 0 347.758 2.953 10 5 EFBERN Nc1ccc(NC(=O)c2csc(N3CCCCC3)n2)cc1[N+](=O)[O-] ZINC001629193513 1100180060 /nfs/dbraw/zinc/18/00/60/1100180060.db2.gz HWCABFDDQNYJAT-UHFFFAOYSA-N 0 0 347.400 2.876 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001629238771 1100184836 /nfs/dbraw/zinc/18/48/36/1100184836.db2.gz UHWHCHFREVLAOE-CYBMUJFWSA-N 0 0 348.309 2.828 10 5 EFBERN CN(C[C@@H]1CCCOC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001629290239 1100191501 /nfs/dbraw/zinc/19/15/01/1100191501.db2.gz JFMKYFCKEBNOPX-LBPRGKRZSA-N 0 0 326.780 2.676 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001629348633 1100201527 /nfs/dbraw/zinc/20/15/27/1100201527.db2.gz CPXYXNJVMZZEAR-QMMMGPOBSA-N 0 0 327.344 2.907 10 5 EFBERN O=C(c1nc2cnccc2s1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001629384397 1100205701 /nfs/dbraw/zinc/20/57/01/1100205701.db2.gz NWJMYZXYUCNBCN-UHFFFAOYSA-N 0 0 326.337 2.802 10 5 EFBERN CC(C)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC001629397093 1100206146 /nfs/dbraw/zinc/20/61/46/1100206146.db2.gz DFTIDQGOPMNNLJ-JTQLQIEISA-N 0 0 337.767 2.536 10 5 EFBERN CCNC(=O)Nc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001629446396 1100211937 /nfs/dbraw/zinc/21/19/37/1100211937.db2.gz MXFFXLAJZOWTOK-UHFFFAOYSA-N 0 0 347.306 2.523 10 5 EFBERN CNc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1 ZINC001629464227 1100213022 /nfs/dbraw/zinc/21/30/22/1100213022.db2.gz UKWLLSFORICPAH-MRXNPFEDSA-N 0 0 344.396 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1100230868 /nfs/dbraw/zinc/23/08/68/1100230868.db2.gz GROSFOQBOMECCC-UXIGCNINSA-N 0 0 338.791 2.865 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c(C)s1 ZINC001629649253 1100232207 /nfs/dbraw/zinc/23/22/07/1100232207.db2.gz KYHDBZQKAFYOIV-UHFFFAOYSA-N 0 0 349.368 2.894 10 5 EFBERN COC(=O)c1c[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc21 ZINC001629687392 1100236510 /nfs/dbraw/zinc/23/65/10/1100236510.db2.gz GZVHUSWXLXIVNY-UHFFFAOYSA-N 0 0 329.268 2.708 10 5 EFBERN C[C@H](C[C@H](O)c1ccco1)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001629705720 1100237812 /nfs/dbraw/zinc/23/78/12/1100237812.db2.gz NPUNWSYFNUSIJP-MEYUZBJRSA-N 0 0 344.367 2.920 10 5 EFBERN Cc1ccc(CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C2CC2)cc1C ZINC001629755265 1100244928 /nfs/dbraw/zinc/24/49/28/1100244928.db2.gz ZUAFASFOZUWJAI-UHFFFAOYSA-N 0 0 340.383 2.994 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1ncccn1 ZINC001629866594 1100254274 /nfs/dbraw/zinc/25/42/74/1100254274.db2.gz IAUSZIBAPKQGJE-OAHLLOKOSA-N 0 0 337.339 2.843 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1ncccn1 ZINC001629866593 1100254517 /nfs/dbraw/zinc/25/45/17/1100254517.db2.gz IAUSZIBAPKQGJE-HNNXBMFYSA-N 0 0 337.339 2.843 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCCNc1ccccn1 ZINC001629879908 1100255854 /nfs/dbraw/zinc/25/58/54/1100255854.db2.gz WDRDRKVILNWGTB-UHFFFAOYSA-N 0 0 348.790 2.804 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCNc1ccccc1 ZINC001629873894 1100255926 /nfs/dbraw/zinc/25/59/26/1100255926.db2.gz GVFJLXRLTAMPAM-UHFFFAOYSA-N 0 0 331.347 2.895 10 5 EFBERN Cc1ccccc1[C@H](O)CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001629990214 1100266860 /nfs/dbraw/zinc/26/68/60/1100266860.db2.gz NZDPNWQVKRCHOK-CQSZACIVSA-N 0 0 349.774 2.602 10 5 EFBERN O=C(N[C@H]1COc2c1cccc2Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630122698 1100277446 /nfs/dbraw/zinc/27/74/46/1100277446.db2.gz HCUWNPBGCBKSOW-UONOGXRCSA-N 0 0 348.742 2.532 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001630190312 1100284708 /nfs/dbraw/zinc/28/47/08/1100284708.db2.gz FCUUMEZEFOLSCS-TZMCWYRMSA-N 0 0 334.372 2.635 10 5 EFBERN CO[C@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC001630225414 1100286542 /nfs/dbraw/zinc/28/65/42/1100286542.db2.gz NFDTVZHWVFJZBW-LBPRGKRZSA-N 0 0 328.796 2.968 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H](c2ccsc2)O1 ZINC001630238028 1100287718 /nfs/dbraw/zinc/28/77/18/1100287718.db2.gz ARZLPAZVJMXFSQ-ZUZCIYMTSA-N 0 0 347.396 2.841 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)c1cccc(C)c1 ZINC001630289916 1100289820 /nfs/dbraw/zinc/28/98/20/1100289820.db2.gz HGFWPHKDYJVAQD-OAHLLOKOSA-N 0 0 344.367 2.765 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2O)n[nH]1 ZINC001630301057 1100290991 /nfs/dbraw/zinc/29/09/91/1100290991.db2.gz XKZLBSWHRNTREY-UHFFFAOYSA-N 0 0 338.323 2.621 10 5 EFBERN Cc1ccnc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001630321307 1100293158 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Nc1c(Cl)cc(C(=O)Nc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC001630778576 1100338755 /nfs/dbraw/zinc/33/87/55/1100338755.db2.gz NWNXQMMPVXDPNM-UHFFFAOYSA-N 0 0 331.719 2.730 10 5 EFBERN Cc1cc([C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C2CC2)ccc1F ZINC001630841249 1100345312 /nfs/dbraw/zinc/34/53/12/1100345312.db2.gz FIIBNSKKIUTLJC-HNNXBMFYSA-N 0 0 344.346 2.901 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)c1ccccc1F ZINC001630877390 1100348991 /nfs/dbraw/zinc/34/89/91/1100348991.db2.gz ZDHUVJNDJPACOK-INIZCTEOSA-N 0 0 332.331 2.896 10 5 EFBERN O=C(Nc1ccc(N2CCOC2=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001630912568 1100353211 /nfs/dbraw/zinc/35/32/11/1100353211.db2.gz KVKVZTXVXCDDTD-UHFFFAOYSA-N 0 0 345.286 2.943 10 5 EFBERN Cc1cn2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2n1 ZINC001630934983 1100355315 /nfs/dbraw/zinc/35/53/15/1100355315.db2.gz DMMFFDISLAUVQC-UHFFFAOYSA-N 0 0 336.351 2.749 10 5 EFBERN Cc1cc(F)ncc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001631094005 1100369506 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EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2cccc(F)c2)c1C ZINC001631337339 1100389935 /nfs/dbraw/zinc/38/99/35/1100389935.db2.gz KGHPWGROZLLUEP-HNNXBMFYSA-N 0 0 332.331 2.814 10 5 EFBERN COc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(N)c1F ZINC001631347377 1100390214 /nfs/dbraw/zinc/39/02/14/1100390214.db2.gz SMYLRZOYHMJVPZ-UHFFFAOYSA-N 0 0 335.291 2.586 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001631371080 1100391619 /nfs/dbraw/zinc/39/16/19/1100391619.db2.gz PCFQUIJZRPGIPG-IUODEOHRSA-N 0 0 338.791 2.818 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@@H]1CC=CCC1 ZINC001631366457 1100391886 /nfs/dbraw/zinc/39/18/86/1100391886.db2.gz FCGKDNUJFCOVRS-CYBMUJFWSA-N 0 0 341.367 2.994 10 5 EFBERN C[C@@]1(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CCCc2ccccc21 ZINC001631362922 1100392183 /nfs/dbraw/zinc/39/21/83/1100392183.db2.gz VIKMXUQSPNXFFY-QGZVFWFLSA-N 0 0 326.356 2.554 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nccc3ccc(C)cc32)n1 ZINC001631571139 1100410869 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332.331 2.515 10 5 EFBERN Cn1nc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC001632260904 1100462997 /nfs/dbraw/zinc/46/29/97/1100462997.db2.gz XJGKZYFTOGDGOR-UHFFFAOYSA-N 0 0 336.311 2.610 10 5 EFBERN O=C(NCc1cccc(F)n1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001632272098 1100464143 /nfs/dbraw/zinc/46/41/43/1100464143.db2.gz SMMKSYSOSYYKDA-UHFFFAOYSA-N 0 0 327.674 2.851 10 5 EFBERN Cc1ccc(CNC(=O)c2ocnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001632370252 1100469209 /nfs/dbraw/zinc/46/92/09/1100469209.db2.gz KYKHHKMHQKOZPE-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN O=C(NCc1ncc(-c2ccccc2)o1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001632416219 1100473498 /nfs/dbraw/zinc/47/34/98/1100473498.db2.gz MRGIGXBNVPAJBA-UHFFFAOYSA-N 0 0 347.718 2.556 10 5 EFBERN CCn1c2ccc(F)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001632559433 1100484324 /nfs/dbraw/zinc/48/43/24/1100484324.db2.gz OBYQCQXBGFJYBC-UHFFFAOYSA-N 0 0 343.318 2.938 10 5 EFBERN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1-n1ccnc1 ZINC001632573196 1100485318 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325.328 2.559 10 5 EFBERN CC1(C)CCC[C@](O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001635542107 1100667227 /nfs/dbraw/zinc/66/72/27/1100667227.db2.gz RMTQUYGKRVMDFO-QGZVFWFLSA-N 0 0 335.404 2.628 10 5 EFBERN Cc1ccc(NCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])nc1 ZINC001635554617 1100667236 /nfs/dbraw/zinc/66/72/36/1100667236.db2.gz STCOFIUPAWZCQH-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN Cc1cccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1F ZINC001635617335 1100670383 /nfs/dbraw/zinc/67/03/83/1100670383.db2.gz CPLAGYCTYFQLCP-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN CCc1c(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])cnn1C(CC)CC ZINC001635707039 1100675199 /nfs/dbraw/zinc/67/51/99/1100675199.db2.gz VMJBGDCNPGJMTD-UHFFFAOYSA-N 0 0 348.407 2.858 10 5 EFBERN O=C(Nc1ccc(O)cc1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001635789155 1100680197 /nfs/dbraw/zinc/68/01/97/1100680197.db2.gz DOBRWZDBJMMMBG-UHFFFAOYSA-N 0 0 330.296 2.714 10 5 EFBERN CCCOc1ccccc1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001635888109 1100685880 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O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccc(=O)[nH]c1 ZINC001636100195 1100700609 /nfs/dbraw/zinc/70/06/09/1100700609.db2.gz YCBANFUBGHRFLI-UHFFFAOYSA-N 0 0 349.774 2.640 10 5 EFBERN COc1ccccc1-c1nnc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)s1 ZINC001636139349 1100702207 /nfs/dbraw/zinc/70/22/07/1100702207.db2.gz DNMMFGSNMZNGEU-UHFFFAOYSA-N 0 0 345.340 2.702 10 5 EFBERN Cc1cccc2ncc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])n21 ZINC001636192984 1100705554 /nfs/dbraw/zinc/70/55/54/1100705554.db2.gz DYSLWRAPKHYWEI-UHFFFAOYSA-N 0 0 338.367 2.866 10 5 EFBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H]1c1ccncc1 ZINC001636195399 1100706200 /nfs/dbraw/zinc/70/62/00/1100706200.db2.gz BFYVKXWDSTZTHG-HNNXBMFYSA-N 0 0 326.356 2.795 10 5 EFBERN CNc1nccc(C(=O)N2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC001636261378 1100709516 /nfs/dbraw/zinc/70/95/16/1100709516.db2.gz ZMVRHVBUMGEGLL-UHFFFAOYSA-N 0 0 332.747 2.888 10 5 EFBERN C[C@@H]1CCC[C@H](C)N1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001636279172 1100710386 /nfs/dbraw/zinc/71/03/86/1100710386.db2.gz FFFDELFRSWCSSO-BETUJISGSA-N 0 0 330.388 2.844 10 5 EFBERN C[C@@H]1CCC[C@@H](C)N1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001636279173 1100710654 /nfs/dbraw/zinc/71/06/54/1100710654.db2.gz FFFDELFRSWCSSO-CHWSQXEVSA-N 0 0 330.388 2.844 10 5 EFBERN CC[C@](O)(CCC(F)(F)F)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC001636313980 1100712761 /nfs/dbraw/zinc/71/27/61/1100712761.db2.gz WWVOXKAGCKJEAI-ZDUSSCGKSA-N 0 0 349.309 2.512 10 5 EFBERN CC[C@@](O)(CCC(F)(F)F)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC001636313979 1100712845 /nfs/dbraw/zinc/71/28/45/1100712845.db2.gz WWVOXKAGCKJEAI-CYBMUJFWSA-N 0 0 349.309 2.512 10 5 EFBERN C[C@@]1(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCCCO1 ZINC001636432712 1100718815 /nfs/dbraw/zinc/71/88/15/1100718815.db2.gz MMOMQMGFSDIKHW-KRWDZBQOSA-N 0 0 344.371 2.674 10 5 EFBERN CCc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1O ZINC001636465888 1100721195 /nfs/dbraw/zinc/72/11/95/1100721195.db2.gz DERGYINITDNWHZ-UHFFFAOYSA-N 0 0 330.296 2.844 10 5 EFBERN CC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001636486529 1100721736 /nfs/dbraw/zinc/72/17/36/1100721736.db2.gz VFSMGXQMXYXICC-GFCCVEGCSA-N 0 0 344.371 2.833 10 5 EFBERN CN(Cc1ncccn1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001636505177 1100722581 /nfs/dbraw/zinc/72/25/81/1100722581.db2.gz DRISOSVEWAAGEB-UHFFFAOYSA-N 0 0 340.261 2.676 10 5 EFBERN C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC001636518583 1100723261 /nfs/dbraw/zinc/72/32/61/1100723261.db2.gz DZCHIPPVBULJDH-SSDOTTSWSA-N 0 0 338.726 2.856 10 5 EFBERN C[C@@H](Cc1cccc(O)c1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001636517737 1100723309 /nfs/dbraw/zinc/72/33/09/1100723309.db2.gz YGLQYSHWFHHFCF-NSHDSACASA-N 0 0 332.331 2.729 10 5 EFBERN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])Cc2cncnc21 ZINC001636522462 1100723855 /nfs/dbraw/zinc/72/38/55/1100723855.db2.gz OSMANNJIMPRPQE-SECBINFHSA-N 0 0 332.747 2.798 10 5 EFBERN CCn1cc(N(CC(C)C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])cn1 ZINC001636619324 1100730464 /nfs/dbraw/zinc/73/04/64/1100730464.db2.gz WEHNDTMMHOXFAR-UHFFFAOYSA-N 0 0 346.391 2.551 10 5 EFBERN O=C(N[C@@H]1CCC[C@@H]1CO)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001636629432 1100731000 /nfs/dbraw/zinc/73/10/00/1100731000.db2.gz YUGZWTXFUACYJF-DGCLKSJQSA-N 0 0 347.396 2.609 10 5 EFBERN Nc1c(C(=O)NOCc2cccnc2)cc2ccccc2c1[N+](=O)[O-] ZINC001636677424 1100732894 /nfs/dbraw/zinc/73/28/94/1100732894.db2.gz PKNJJBWLBGDVHL-UHFFFAOYSA-N 0 0 338.323 2.587 10 5 EFBERN CC[C@H]1CCCc2sc(NC(=O)c3c([N+](=O)[O-])cnn3C)nc21 ZINC001636691465 1100733449 /nfs/dbraw/zinc/73/34/49/1100733449.db2.gz DEPPPCWSTHIBBT-QMMMGPOBSA-N 0 0 335.389 2.867 10 5 EFBERN Cc1ccc(NC(=O)C[C@H]2COc3ccccc3O2)c(N)c1[N+](=O)[O-] ZINC001636724107 1100734348 /nfs/dbraw/zinc/73/43/48/1100734348.db2.gz OGZMJDIPZGQYHM-NSHDSACASA-N 0 0 343.339 2.654 10 5 EFBERN COCCOc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001636724323 1100734381 /nfs/dbraw/zinc/73/43/81/1100734381.db2.gz WFTUIFFXFOUYSH-UHFFFAOYSA-N 0 0 345.355 2.763 10 5 EFBERN O=C(Nc1c[nH]nc1-c1ccccc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001636721950 1100734428 /nfs/dbraw/zinc/73/44/28/1100734428.db2.gz FVWCYMZZMZSBDV-MRXNPFEDSA-N 0 0 338.323 2.657 10 5 EFBERN O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1cc([N+](=O)[O-])c[nH]1 ZINC001636749444 1100735779 /nfs/dbraw/zinc/73/57/79/1100735779.db2.gz QSQNLFIDTLCNHB-SECBINFHSA-N 0 0 325.246 2.758 10 5 EFBERN COc1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC001636808023 1100738755 /nfs/dbraw/zinc/73/87/55/1100738755.db2.gz SPXJVLJUVUQJFS-UHFFFAOYSA-N 0 0 330.315 2.941 10 5 EFBERN C[C@H](O)C[C@H]1CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001636912742 1100745338 /nfs/dbraw/zinc/74/53/38/1100745338.db2.gz OVPWGCKTXFUUMU-WCQYABFASA-N 0 0 343.383 2.706 10 5 EFBERN O=C(NCc1ccc2nonc2c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001636982521 1100748599 /nfs/dbraw/zinc/74/85/99/1100748599.db2.gz PQRIBBOTWBRCRP-UHFFFAOYSA-N 0 0 337.295 2.542 10 5 EFBERN O=C(Nc1cccc2[nH]c(=O)[nH]c21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001636994042 1100749473 /nfs/dbraw/zinc/74/94/73/1100749473.db2.gz PYTLEIAQQWYVIM-NWDGAFQWSA-N 0 0 338.323 2.919 10 5 EFBERN Nc1c(F)cccc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001637006429 1100750263 /nfs/dbraw/zinc/75/02/63/1100750263.db2.gz KTMRUDASTYBMRV-UHFFFAOYSA-N 0 0 341.302 2.959 10 5 EFBERN Nc1ccc(C(=O)NCc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001637027562 1100752002 /nfs/dbraw/zinc/75/20/02/1100752002.db2.gz OWPCPENACFYCQF-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCOC2)CC1 ZINC001637097615 1100756670 /nfs/dbraw/zinc/75/66/70/1100756670.db2.gz PZBFXQTYTAVAQG-AWEZNQCLSA-N 0 0 348.399 2.882 10 5 EFBERN CC(C)(C)c1coc(CNC(=O)CNc2ccccc2[N+](=O)[O-])n1 ZINC001637133762 1100759849 /nfs/dbraw/zinc/75/98/49/1100759849.db2.gz GCVAXKCRNIONOV-UHFFFAOYSA-N 0 0 332.360 2.609 10 5 EFBERN COc1cccc([C@H](OC)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001637200532 1100763979 /nfs/dbraw/zinc/76/39/79/1100763979.db2.gz LWEZJVMNYYLRID-HNNXBMFYSA-N 0 0 331.328 2.512 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(CN(C)C)o1)CC2 ZINC001637288830 1100770125 /nfs/dbraw/zinc/77/01/25/1100770125.db2.gz PZLGFVSZXBGGKQ-UHFFFAOYSA-N 0 0 329.356 2.761 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)c2ncccc2C)c([N+](=O)[O-])cc1OC ZINC001637364519 1100776485 /nfs/dbraw/zinc/77/64/85/1100776485.db2.gz REYUDFUKCFVGFK-NSHDSACASA-N 0 0 345.355 2.806 10 5 EFBERN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)[C@@H](CO)c1ccccc1 ZINC001637382049 1100777149 /nfs/dbraw/zinc/77/71/49/1100777149.db2.gz FIJYXAIMDNHNOL-KRWDZBQOSA-N 0 0 339.351 2.882 10 5 EFBERN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)c1ccccc1 ZINC001637387826 1100779255 /nfs/dbraw/zinc/77/92/55/1100779255.db2.gz LSFXATVLBJVGQV-INIZCTEOSA-N 0 0 348.786 2.983 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2CSc3ccccc32)cccc1[N+](=O)[O-] ZINC001637415069 1100780974 /nfs/dbraw/zinc/78/09/74/1100780974.db2.gz ZHJPETQBKPFNQF-SNVBAGLBSA-N 0 0 329.381 2.796 10 5 EFBERN Cc1c(C(=O)NOc2ccccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001637447640 1100783479 /nfs/dbraw/zinc/78/34/79/1100783479.db2.gz XROVSXMBHVLXLJ-UHFFFAOYSA-N 0 0 349.274 2.983 10 5 EFBERN CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001637459914 1100784060 /nfs/dbraw/zinc/78/40/60/1100784060.db2.gz VUEWXWLMYABUNR-UHFFFAOYSA-N 0 0 332.316 2.890 10 5 EFBERN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N)c(OC)c1 ZINC001637483497 1100786066 /nfs/dbraw/zinc/78/60/66/1100786066.db2.gz ZKKMKDLJIHWXRO-SNVBAGLBSA-N 0 0 345.355 2.685 10 5 EFBERN O=C(Nc1ccc(OC(F)F)cn1)c1cc([N+](=O)[O-])ccc1F ZINC001637502457 1100786837 /nfs/dbraw/zinc/78/68/37/1100786837.db2.gz HXSMIARBZFGSKC-UHFFFAOYSA-N 0 0 327.218 2.983 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(C(=O)OC(C)(C)C)C1 ZINC001637525158 1100787858 /nfs/dbraw/zinc/78/78/58/1100787858.db2.gz OGKLSVJYFIRPGU-UHFFFAOYSA-N 0 0 334.372 2.625 10 5 EFBERN Cc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)nn1-c1ccccc1 ZINC001637550687 1100789666 /nfs/dbraw/zinc/78/96/66/1100789666.db2.gz RLTKCQLGWUASJT-UHFFFAOYSA-N 0 0 346.734 2.718 10 5 EFBERN Cc1nc(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)no1 ZINC001637595141 1100793052 /nfs/dbraw/zinc/79/30/52/1100793052.db2.gz XPTFAQOLFRPNSN-UHFFFAOYSA-N 0 0 332.360 2.856 10 5 EFBERN CC/C=C\CNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001637619603 1100794739 /nfs/dbraw/zinc/79/47/39/1100794739.db2.gz NYXNXFBBXDEXOP-ARJAWSKDSA-N 0 0 328.166 2.636 10 5 EFBERN COC(=O)/C=C/[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001637686819 1100799267 /nfs/dbraw/zinc/79/92/67/1100799267.db2.gz JGEMREPDDMUUHN-BSPAPZMXSA-N 0 0 334.353 2.657 10 5 EFBERN Cc1ccc(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC001637701864 1100800949 /nfs/dbraw/zinc/80/09/49/1100800949.db2.gz FLFHKWVTINZXHA-CQSZACIVSA-N 0 0 343.387 2.716 10 5 EFBERN O=C(NCc1ccccc1-c1ncc[nH]1)c1csc([N+](=O)[O-])c1 ZINC001637741226 1100802901 /nfs/dbraw/zinc/80/29/01/1100802901.db2.gz IRARRYGNWRSFFM-UHFFFAOYSA-N 0 0 328.353 2.976 10 5 EFBERN O=C(Nc1cccc(-c2ncco2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001637740420 1100803032 /nfs/dbraw/zinc/80/30/32/1100803032.db2.gz GMSVRRFXJAWRLO-HNNXBMFYSA-N 0 0 339.307 2.922 10 5 EFBERN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cn[nH]c1 ZINC001637740540 1100803256 /nfs/dbraw/zinc/80/32/56/1100803256.db2.gz KXOVWZDOLFIUQO-NSHDSACASA-N 0 0 337.339 2.871 10 5 EFBERN CCC[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C1CCC1 ZINC001637772265 1100804677 /nfs/dbraw/zinc/80/46/77/1100804677.db2.gz YWRJSAVFKSTZQT-CQSZACIVSA-N 0 0 343.387 2.874 10 5 EFBERN O=C(Nc1nc2c(s1)CCCC2=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001637841221 1100809496 /nfs/dbraw/zinc/80/94/96/1100809496.db2.gz RVGRHIQEEQUAMD-UHFFFAOYSA-N 0 0 335.316 2.962 10 5 EFBERN C[C@H](C(=O)Nc1cccc2nc[nH]c(=O)c21)c1cccc([N+](=O)[O-])c1 ZINC001637833525 1100809835 /nfs/dbraw/zinc/80/98/35/1100809835.db2.gz OCOWNIDBBMBMPQ-JTQLQIEISA-N 0 0 338.323 2.986 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CN(C)C2=O ZINC001637895395 1100815385 /nfs/dbraw/zinc/81/53/85/1100815385.db2.gz QRTGTERDOGUYKQ-UHFFFAOYSA-N 0 0 325.324 2.741 10 5 EFBERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001637925226 1100818620 /nfs/dbraw/zinc/81/86/20/1100818620.db2.gz BNJAVEDHCKUKHH-GHMZBOCLSA-N 0 0 347.396 2.652 10 5 EFBERN O=C(NC/C=C\Cl)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001638021650 1100825816 /nfs/dbraw/zinc/82/58/16/1100825816.db2.gz VGXWKSHQNRMERL-RJRFIUFISA-N 0 0 348.584 2.909 10 5 EFBERN CC(C)c1oncc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001638162663 1100839672 /nfs/dbraw/zinc/83/96/72/1100839672.db2.gz YMXBFPCENNKZDH-UHFFFAOYSA-N 0 0 329.316 2.695 10 5 EFBERN Cc1ccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c(=O)[nH]1 ZINC001638191143 1100840211 /nfs/dbraw/zinc/84/02/11/1100840211.db2.gz DROFZTBNHFJFEL-UHFFFAOYSA-N 0 0 340.698 2.631 10 5 EFBERN CNc1ccc(C(=O)N2CCC[C@H]2c2nc(C)c(C)[nH]2)cc1[N+](=O)[O-] ZINC001638206585 1100841647 /nfs/dbraw/zinc/84/16/47/1100841647.db2.gz BCYLCWUFKCSALN-AWEZNQCLSA-N 0 0 343.387 2.954 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2cc(C)no2)CC1 ZINC001638269071 1100845455 /nfs/dbraw/zinc/84/54/55/1100845455.db2.gz LEEPKDHWLVFYLZ-UHFFFAOYSA-N 0 0 331.328 2.960 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1cncc(O)c1 ZINC001638269408 1100845870 /nfs/dbraw/zinc/84/58/70/1100845870.db2.gz WLTMMJQXWNYAGB-UTCJRWHESA-N 0 0 329.312 2.746 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ncccc1OC ZINC001638269150 1100846017 /nfs/dbraw/zinc/84/60/17/1100846017.db2.gz NVCVQTRYEFWNLS-UHFFFAOYSA-N 0 0 331.328 2.578 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2n[nH]nc2cc1F ZINC001638268987 1100846058 /nfs/dbraw/zinc/84/60/58/1100846058.db2.gz JFLPOGQUHVNZQF-UHFFFAOYSA-N 0 0 345.290 2.656 10 5 EFBERN C[Si](C)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001638284233 1100846275 /nfs/dbraw/zinc/84/62/75/1100846275.db2.gz GQXZUQNPVBUDLU-UHFFFAOYSA-N 0 0 342.471 2.798 10 5 EFBERN C[C@@H](NC(=O)NCc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001638359325 1100851674 /nfs/dbraw/zinc/85/16/74/1100851674.db2.gz AHBLXEJHPAFRTJ-GFCCVEGCSA-N 0 0 329.356 2.648 10 5 EFBERN Nc1ccc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-] ZINC001638381191 1100854400 /nfs/dbraw/zinc/85/44/00/1100854400.db2.gz DUXJNNTXZZGYED-UHFFFAOYSA-N 0 0 337.238 2.751 10 5 EFBERN Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001638381077 1100854527 /nfs/dbraw/zinc/85/45/27/1100854527.db2.gz BWQUNLDNDPFLOU-MEDUHNTESA-N 0 0 329.356 2.589 10 5 EFBERN CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001638381715 1100854575 /nfs/dbraw/zinc/85/45/75/1100854575.db2.gz QUKDTFWWJUFZMI-HSZRJFAPSA-N 0 0 333.369 2.557 10 5 EFBERN O=C(NCc1cnc(Cl)cn1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001638543943 1100867033 /nfs/dbraw/zinc/86/70/33/1100867033.db2.gz CTNVUKQIGTYECC-UHFFFAOYSA-N 0 0 327.127 2.622 10 5 EFBERN O=C(NCc1cnc(Cl)cn1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001638548388 1100867195 /nfs/dbraw/zinc/86/71/95/1100867195.db2.gz CXQJNDZRGFNMRA-UHFFFAOYSA-N 0 0 345.117 2.761 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001638558261 1100868754 /nfs/dbraw/zinc/86/87/54/1100868754.db2.gz HQYDIIJYFQHWSK-ULKVUYOBSA-N 0 0 328.372 2.916 10 5 EFBERN COc1cccc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC001638611362 1100872384 /nfs/dbraw/zinc/87/23/84/1100872384.db2.gz FGQLQHQWUIDIHT-WMLDXEAASA-N 0 0 330.315 2.971 10 5 EFBERN CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001638612244 1100872391 /nfs/dbraw/zinc/87/23/91/1100872391.db2.gz AQDMMSLGMTVKMO-UHFFFAOYSA-N 0 0 331.332 2.625 10 5 EFBERN COc1ccc(C)cc1[C@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001638685431 1100879237 /nfs/dbraw/zinc/87/92/37/1100879237.db2.gz YJWGXMLHZLUHOY-QMMMGPOBSA-N 0 0 338.751 2.779 10 5 EFBERN C[C@@H](C(=O)N1CC(F)(F)OC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC001638736104 1100883552 /nfs/dbraw/zinc/88/35/52/1100883552.db2.gz AMBAXNLYIXJTEQ-MRVPVSSYSA-N 0 0 336.241 2.743 10 5 EFBERN C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001638784444 1100886544 /nfs/dbraw/zinc/88/65/44/1100886544.db2.gz ZZRWBIPVOCLRHZ-NSHDSACASA-N 0 0 345.330 2.969 10 5 EFBERN Cc1ncoc1-c1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001638791276 1100886910 /nfs/dbraw/zinc/88/69/10/1100886910.db2.gz SSLOHQKUBUUCJH-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN CCn1nncc1COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000840206158 1100893381 /nfs/dbraw/zinc/89/33/81/1100893381.db2.gz KOPRMROVHPOUSJ-UHFFFAOYSA-N 0 0 345.128 2.687 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(OC)cccc1OC ZINC001638892586 1100895964 /nfs/dbraw/zinc/89/59/64/1100895964.db2.gz OUCLRNOZWCBVBR-UHFFFAOYSA-N 0 0 345.355 2.835 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COCc1ccc(OC)cc1 ZINC001638895726 1100896476 /nfs/dbraw/zinc/89/64/76/1100896476.db2.gz CFCFCPXIMIEAJW-UHFFFAOYSA-N 0 0 345.355 2.800 10 5 EFBERN CC(=O)c1c(C)cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1C ZINC001639026384 1100905616 /nfs/dbraw/zinc/90/56/16/1100905616.db2.gz IOTHRDNMLVTHPE-UHFFFAOYSA-N 0 0 330.344 2.708 10 5 EFBERN O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1cc([N+](=O)[O-])c[nH]1 ZINC001639031878 1100906401 /nfs/dbraw/zinc/90/64/01/1100906401.db2.gz CHWIVRHMZFIXFB-UHFFFAOYSA-N 0 0 337.645 2.587 10 5 EFBERN O=C(COc1ccccc1F)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001639082878 1100910869 /nfs/dbraw/zinc/91/08/69/1100910869.db2.gz HEIXKGJEGIHZKG-UHFFFAOYSA-N 0 0 340.257 2.707 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC001639123609 1100914428 /nfs/dbraw/zinc/91/44/28/1100914428.db2.gz KHYDPMGVOCKKIZ-CYBMUJFWSA-N 0 0 334.307 2.869 10 5 EFBERN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2cnccn2)C1 ZINC001639251468 1100929096 /nfs/dbraw/zinc/92/90/96/1100929096.db2.gz NJQGLXICCABJLI-FVQBIDKESA-N 0 0 338.367 2.504 10 5 EFBERN COC(C)(C)C(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840226710 1100932441 /nfs/dbraw/zinc/93/24/41/1100932441.db2.gz BQPLFNBDNOHHNH-UHFFFAOYSA-N 0 0 332.150 2.826 10 5 EFBERN CCc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1CC ZINC001639312669 1100937750 /nfs/dbraw/zinc/93/77/50/1100937750.db2.gz DOGOKQKQPSMMIT-UHFFFAOYSA-N 0 0 330.388 2.688 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1OCCc2ccccc21 ZINC001639322518 1100938869 /nfs/dbraw/zinc/93/88/69/1100938869.db2.gz OUCUGUUVLDKZRV-QGZVFWFLSA-N 0 0 341.367 2.611 10 5 EFBERN CCOc1ccccc1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001639410144 1100945229 /nfs/dbraw/zinc/94/52/29/1100945229.db2.gz HLHPDVGILJJCTN-UHFFFAOYSA-N 0 0 329.356 2.747 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc2n(n1)CCCC2 ZINC001639432820 1100948053 /nfs/dbraw/zinc/94/80/53/1100948053.db2.gz BQMIVZIVKTYFMY-LLVKDONJSA-N 0 0 343.387 2.660 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCOc2cccc(F)c2C1 ZINC001639456009 1100952080 /nfs/dbraw/zinc/95/20/80/1100952080.db2.gz UDOSWDOWNDBJOL-UHFFFAOYSA-N 0 0 348.305 2.837 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001639470723 1100954189 /nfs/dbraw/zinc/95/41/89/1100954189.db2.gz HNCZIMBMPZJERW-UHFFFAOYSA-N 0 0 343.093 2.791 10 5 EFBERN CC(C)OC(=O)N1CCC(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC001639478137 1100954336 /nfs/dbraw/zinc/95/43/36/1100954336.db2.gz MSBFQRNUPFICNK-UHFFFAOYSA-N 0 0 347.375 2.664 10 5 EFBERN NC(=O)c1cc(Nc2ccc(O[C@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC001639513766 1100957695 /nfs/dbraw/zinc/95/76/95/1100957695.db2.gz YUNDXKSLDOMRES-AWEZNQCLSA-N 0 0 343.339 2.605 10 5 EFBERN Cc1cnc(N2CCC[C@H](NC(=O)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001639527546 1100958376 /nfs/dbraw/zinc/95/83/76/1100958376.db2.gz VWYKQEKGTGOODB-HNNXBMFYSA-N 0 0 340.383 2.697 10 5 EFBERN Cn1cc([N+](=O)[O-])c(Nc2cnn(Cc3ccc(Cl)cc3)c2)n1 ZINC001639548793 1100959955 /nfs/dbraw/zinc/95/99/55/1100959955.db2.gz SYRFVQBMEGOMMY-UHFFFAOYSA-N 0 0 332.751 2.970 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnccn1 ZINC001639567126 1100961648 /nfs/dbraw/zinc/96/16/48/1100961648.db2.gz ADIQPVOVHVKTNH-MRVPVSSYSA-N 0 0 340.261 2.895 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC=C(Cl)C1 ZINC001639626868 1100967662 /nfs/dbraw/zinc/96/76/62/1100967662.db2.gz MELKUFQHMXRVOP-UHFFFAOYSA-N 0 0 332.747 2.749 10 5 EFBERN C[C@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccccc1[N+](=O)[O-] ZINC001639633386 1100968776 /nfs/dbraw/zinc/96/87/76/1100968776.db2.gz DGXRBTAMHVKSPU-VXGBXAGGSA-N 0 0 342.399 2.976 10 5 EFBERN CCCc1n[nH]c(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001639666127 1100972397 /nfs/dbraw/zinc/97/23/97/1100972397.db2.gz LJIYSQXLMNVHCO-HBGPKNEHSA-N 0 0 332.404 2.779 10 5 EFBERN CN(CC(=O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC001639666368 1100972606 /nfs/dbraw/zinc/97/26/06/1100972606.db2.gz SGOGTGFUKAVCQN-QCUYGVNKSA-N 0 0 343.427 2.926 10 5 EFBERN O=C(N[C@H](CO)CCF)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001639694939 1100975187 /nfs/dbraw/zinc/97/51/87/1100975187.db2.gz RFSXCZWBZVTJRY-LBPRGKRZSA-N 0 0 348.330 2.837 10 5 EFBERN O=C(N[C@H](CO)CCF)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001639694935 1100975266 /nfs/dbraw/zinc/97/52/66/1100975266.db2.gz RDTPOAFMQJHVAO-AWEZNQCLSA-N 0 0 347.346 2.789 10 5 EFBERN C[C@H]1C[C@@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCO1 ZINC001639707000 1100975793 /nfs/dbraw/zinc/97/57/93/1100975793.db2.gz HVCLUGNMYYXMRI-QWRGUYRKSA-N 0 0 346.343 2.700 10 5 EFBERN CC1(CCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])OCCO1 ZINC001639761467 1100981274 /nfs/dbraw/zinc/98/12/74/1100981274.db2.gz XDKQSJSGJLEGCF-UHFFFAOYSA-N 0 0 337.763 2.783 10 5 EFBERN CC1(C)C[C@@H](O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2O1 ZINC001639789326 1100983618 /nfs/dbraw/zinc/98/36/18/1100983618.db2.gz SCTJLLYGDDFEID-CQSZACIVSA-N 0 0 343.339 2.837 10 5 EFBERN Cn1c(=O)ccc2ccc(Nc3cc(F)c([N+](=O)[O-])cc3CO)cc21 ZINC001639846128 1100988330 /nfs/dbraw/zinc/98/83/30/1100988330.db2.gz MKCAYTITCGABAK-UHFFFAOYSA-N 0 0 343.314 2.822 10 5 EFBERN COC(C)(C)c1nsc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001639849024 1100988466 /nfs/dbraw/zinc/98/84/66/1100988466.db2.gz WKBYAOMMVHACMB-UHFFFAOYSA-N 0 0 348.388 2.816 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Oc1ccc2c(c1)CC(=O)N2 ZINC001639856507 1100989789 /nfs/dbraw/zinc/98/97/89/1100989789.db2.gz ONAXKEJFYONUOG-UHFFFAOYSA-N 0 0 342.307 2.707 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCO)c1ccccc1F ZINC001639873348 1100991349 /nfs/dbraw/zinc/99/13/49/1100991349.db2.gz VBWOXJDUUNGBFN-INIZCTEOSA-N 0 0 332.331 2.896 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nc(C)cc1C(F)F ZINC001639887129 1100993126 /nfs/dbraw/zinc/99/31/26/1100993126.db2.gz YDSZBLPMXMVCNE-UHFFFAOYSA-N 0 0 339.302 2.718 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001639898274 1100993432 /nfs/dbraw/zinc/99/34/32/1100993432.db2.gz XOGJAWXAQHSWMW-UHFFFAOYSA-N 0 0 342.355 2.868 10 5 EFBERN Nc1cc(F)c(Cl)cc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001639889795 1100993900 /nfs/dbraw/zinc/99/39/00/1100993900.db2.gz FICYDTOXMDBTHS-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN Cc1cnnn1-c1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001639926930 1100996236 /nfs/dbraw/zinc/99/62/36/1100996236.db2.gz OANGPHRNNWKNRD-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN O=C(N[C@H]1CCSC2(CCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001639936324 1100996853 /nfs/dbraw/zinc/99/68/53/1100996853.db2.gz ZRYPSYAFTAZWGI-ZETCQYMHSA-N 0 0 330.797 2.519 10 5 EFBERN C=C/C=C/CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC001639962316 1100997864 /nfs/dbraw/zinc/99/78/64/1100997864.db2.gz TWMTVXXZPJOADH-AATRIKPKSA-N 0 0 345.399 2.774 10 5 EFBERN Cc1ccc(C2(CNc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c(C)c1 ZINC001639968108 1100999139 /nfs/dbraw/zinc/99/91/39/1100999139.db2.gz KUEMYCZUWOWTBT-UHFFFAOYSA-N 0 0 340.383 2.849 10 5 EFBERN Cc1ccc(NC(=O)c2cc(Br)c[nH]2)c(N)c1[N+](=O)[O-] ZINC001639992592 1101000507 /nfs/dbraw/zinc/00/05/07/1101000507.db2.gz CMCYWUSBBMJCKN-UHFFFAOYSA-N 0 0 339.149 2.828 10 5 EFBERN Cc1ccc(NC(=O)[C@H](CCCO)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001639997095 1101000757 /nfs/dbraw/zinc/00/07/57/1101000757.db2.gz AFEBSEUVDVWGAX-CQSZACIVSA-N 0 0 343.383 2.980 10 5 EFBERN Cc1ccc(NC(=O)c2cc(F)c(C=O)cc2F)c(N)c1[N+](=O)[O-] ZINC001639997592 1101001169 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EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCOc1cccc(F)c1 ZINC001640204372 1101022202 /nfs/dbraw/zinc/02/22/02/1101022202.db2.gz VGWAGDVNCRMAGW-UHFFFAOYSA-N 0 0 347.346 2.975 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1cccc([N+](=O)[O-])c1Cl ZINC001640242497 1101028034 /nfs/dbraw/zinc/02/80/34/1101028034.db2.gz OKCMBJWCIDPEJA-UHFFFAOYSA-N 0 0 334.759 2.713 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H]2CCOC23CCCC3)cc1[N+](=O)[O-] ZINC001640242453 1101028455 /nfs/dbraw/zinc/02/84/55/1101028455.db2.gz MZRZBMCHTHNELW-LBPRGKRZSA-N 0 0 339.779 2.662 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC=C(Cl)Cl ZINC001640289994 1101032194 /nfs/dbraw/zinc/03/21/94/1101032194.db2.gz SCJREIQSMFMZAD-UHFFFAOYSA-N 0 0 348.142 2.871 10 5 EFBERN CC[C@@H](C[C@H](C)O)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640303926 1101033742 /nfs/dbraw/zinc/03/37/42/1101033742.db2.gz SPUMDLYWWGUQHX-JSGCOSHPSA-N 0 0 330.388 2.744 10 5 EFBERN CNc1ccc(C(=O)NCc2nc(C(C)(C)C)co2)cc1[N+](=O)[O-] ZINC001640332099 1101035966 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EFBERN COC(=O)/C=C/c1ccc(NC2CC(CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC001640403778 1101043236 /nfs/dbraw/zinc/04/32/36/1101043236.db2.gz UVXLSUKIENYQTE-GQCTYLIASA-N 0 0 348.355 2.535 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CCCNc3cncc(Cl)n3)nc2c1 ZINC001640411970 1101045188 /nfs/dbraw/zinc/04/51/88/1101045188.db2.gz MHHKSZXHXQLCGF-UHFFFAOYSA-N 0 0 332.751 2.959 10 5 EFBERN C[C@@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC001640452915 1101048396 /nfs/dbraw/zinc/04/83/96/1101048396.db2.gz LGRJDQKPIMVPPY-MNOVXSKESA-N 0 0 335.385 2.521 10 5 EFBERN CCC(=O)c1ccc(N2CC(CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000840377658 1101048619 /nfs/dbraw/zinc/04/86/19/1101048619.db2.gz YVSWXBHWJNOQIX-UHFFFAOYSA-N 0 0 340.379 2.938 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2CC(C)(C)OC2(C)C)c1[N+](=O)[O-] ZINC001640458733 1101049135 /nfs/dbraw/zinc/04/91/35/1101049135.db2.gz IOKBGWVHYGUOOQ-SNVBAGLBSA-N 0 0 337.376 2.782 10 5 EFBERN CC(F)(F)CN1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001640461511 1101049347 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EFBERN COC(=O)c1cnc(NCC[C@@H]2CCC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001640475589 1101051497 /nfs/dbraw/zinc/05/14/97/1101051497.db2.gz RRSSXTZOFXIJRF-LBPRGKRZSA-N 0 0 337.376 2.784 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@]3(C)CCCCO3)c2c1 ZINC001640485460 1101052333 /nfs/dbraw/zinc/05/23/33/1101052333.db2.gz VCRLLQNCARVJIW-QGZVFWFLSA-N 0 0 331.372 2.945 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc2ccccn2n1 ZINC001640487216 1101052691 /nfs/dbraw/zinc/05/26/91/1101052691.db2.gz CEIHGUWJZUXMOV-UHFFFAOYSA-N 0 0 338.323 2.844 10 5 EFBERN Cc1nnc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[nH]1 ZINC001640498452 1101053698 /nfs/dbraw/zinc/05/36/98/1101053698.db2.gz BPNHFAGHKRPVTP-UHFFFAOYSA-N 0 0 340.343 2.607 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1 ZINC001640526078 1101055363 /nfs/dbraw/zinc/05/53/63/1101055363.db2.gz YSRCNZBWNULQTR-HAQNSBGRSA-N 0 0 346.391 2.754 10 5 EFBERN Cc1nocc1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001640531979 1101055975 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EFBERN CO[C@@H]([C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001640789080 1101078138 /nfs/dbraw/zinc/07/81/38/1101078138.db2.gz HAUTVROQMPGMIN-VFZGTOFNSA-N 0 0 326.780 2.720 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCc2ccc(O)cc21 ZINC001640791683 1101079394 /nfs/dbraw/zinc/07/93/94/1101079394.db2.gz CJKFEBPLYJUKQE-HNNXBMFYSA-N 0 0 330.315 2.786 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1Cc2ccc(O)cc2C1 ZINC001640835360 1101082856 /nfs/dbraw/zinc/08/28/56/1101082856.db2.gz NPQIZKBNJNXJMN-UHFFFAOYSA-N 0 0 330.315 2.915 10 5 EFBERN CC1(C)CCCC[C@@H]1COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001640834209 1101082873 /nfs/dbraw/zinc/08/28/73/1101082873.db2.gz HFRIZXWDWULMPV-LLVKDONJSA-N 0 0 342.417 2.837 10 5 EFBERN CC1(C)CCCC[C@H]1COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001640834210 1101082917 /nfs/dbraw/zinc/08/29/17/1101082917.db2.gz HFRIZXWDWULMPV-NSHDSACASA-N 0 0 342.417 2.837 10 5 EFBERN CCOC(=O)c1ncc(COc2ccc([N+](=O)[O-])cc2F)s1 ZINC001640858262 1101084489 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COc1cc(C(=O)NCc2ccc3[nH]cnc3c2)cc([N+](=O)[O-])c1C ZINC001641137105 1101105875 /nfs/dbraw/zinc/10/58/75/1101105875.db2.gz FSXJZBHPCHZENE-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN Cc1cnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC001641148672 1101107258 /nfs/dbraw/zinc/10/72/58/1101107258.db2.gz RCMAHOIJVNGKJW-SECBINFHSA-N 0 0 334.357 2.518 10 5 EFBERN Cc1cnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC001641148673 1101107361 /nfs/dbraw/zinc/10/73/61/1101107361.db2.gz RCMAHOIJVNGKJW-VIFPVBQESA-N 0 0 334.357 2.518 10 5 EFBERN CN(C)c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001641153724 1101107448 /nfs/dbraw/zinc/10/74/48/1101107448.db2.gz JIBBXWKJSCMMPE-UHFFFAOYSA-N 0 0 334.763 2.639 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc2oc(=O)[nH]c2cc1F ZINC001641162115 1101109987 /nfs/dbraw/zinc/10/99/87/1101109987.db2.gz JGZADPQFQXXSSL-UHFFFAOYSA-N 0 0 347.258 2.598 10 5 EFBERN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641164820 1101110297 /nfs/dbraw/zinc/11/02/97/1101110297.db2.gz RVSSFTMGBXNYNS-UHFFFAOYSA-N 0 0 344.718 2.681 10 5 EFBERN CCc1ccc(-c2noc(Cn3cc([N+](=O)[O-])cc(F)c3=O)n2)cc1 ZINC001641225999 1101116226 /nfs/dbraw/zinc/11/62/26/1101116226.db2.gz HMBBNZNMTDPXFR-UHFFFAOYSA-N 0 0 344.302 2.556 10 5 EFBERN C/C(=C\C(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000840536125 1101123165 /nfs/dbraw/zinc/12/31/65/1101123165.db2.gz QMLCQCPALDHLNP-XFKLGHKYSA-N 0 0 330.384 2.618 10 5 EFBERN Cc1cccc2c1NC(=O)N(/C=C/c1ccc([N+](=O)[O-])o1)S2(=O)=O ZINC001641332141 1101126392 /nfs/dbraw/zinc/12/63/92/1101126392.db2.gz MPIQAKKQSGJEJT-BQYQJAHWSA-N 0 0 349.324 2.703 10 5 EFBERN CC(=O)c1cccc(OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1F ZINC001641391398 1101131405 /nfs/dbraw/zinc/13/14/05/1101131405.db2.gz HUGIEAPHPRQANA-UHFFFAOYSA-N 0 0 346.314 2.978 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC(Cc2ccco2)C1 ZINC001641423520 1101134244 /nfs/dbraw/zinc/13/42/44/1101134244.db2.gz LGFJPHHNGCKNGY-UHFFFAOYSA-N 0 0 325.324 2.984 10 5 EFBERN CC[C@@H](O)CC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840580013 1101146963 /nfs/dbraw/zinc/14/69/63/1101146963.db2.gz REKOMXDHUPYDHQ-SECBINFHSA-N 0 0 332.150 2.562 10 5 EFBERN CC(C)(NC(=O)/C=C\[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC001641585810 1101148577 /nfs/dbraw/zinc/14/85/77/1101148577.db2.gz LJMQUDCQZKKABN-PRDAAYKISA-N 0 0 334.372 2.654 10 5 EFBERN CC(C)n1c(NC(=O)c2cc([N+](=O)[O-])cnc2N)nc2ccccc21 ZINC001641586785 1101148655 /nfs/dbraw/zinc/14/86/55/1101148655.db2.gz SLKYWXDMGZGROF-UHFFFAOYSA-N 0 0 340.343 2.755 10 5 EFBERN Cc1c(C(=O)N2Cc3ccccc3N(C)C(=O)C2)cccc1[N+](=O)[O-] ZINC001641636458 1101152990 /nfs/dbraw/zinc/15/29/90/1101152990.db2.gz UXJRUXUZEDLZAG-UHFFFAOYSA-N 0 0 339.351 2.522 10 5 EFBERN CCO/C=C\C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000840592114 1101153455 /nfs/dbraw/zinc/15/34/55/1101153455.db2.gz WJUFXBZPIQPDGC-QROTZFDESA-N 0 0 333.300 2.799 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1[C@H]1CCC(=O)N1 ZINC001641658773 1101154268 /nfs/dbraw/zinc/15/42/68/1101154268.db2.gz XDAKBBICUYPSIO-MRXNPFEDSA-N 0 0 339.351 2.727 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001641704712 1101158095 /nfs/dbraw/zinc/15/80/95/1101158095.db2.gz BSDRQESTHDYFPK-HOMQSWHASA-N 0 0 346.774 2.901 10 5 EFBERN O=C(N1Cc2ccc(O)cc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001641771977 1101163650 /nfs/dbraw/zinc/16/36/50/1101163650.db2.gz LGMBTBGQGLAEJG-UHFFFAOYSA-N 0 0 334.278 2.935 10 5 EFBERN Cc1cc(Cl)c(C(=O)N[C@@H]2CC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC001641905055 1101174817 /nfs/dbraw/zinc/17/48/17/1101174817.db2.gz ZYYRWZRHQCNTEG-BNMUBRSASA-N 0 0 344.820 2.586 10 5 EFBERN COc1cc(COC(=O)C[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000840628380 1101178003 /nfs/dbraw/zinc/17/80/03/1101178003.db2.gz SEYYMJRTNVAVJL-NSHDSACASA-N 0 0 333.344 2.574 10 5 EFBERN NC(=O)c1cc(NCCCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC001642001793 1101182021 /nfs/dbraw/zinc/18/20/21/1101182021.db2.gz FLRVAOULBJLBHT-UHFFFAOYSA-N 0 0 329.356 2.713 10 5 EFBERN Nc1ccc(NC(=O)c2ccc(OCC(F)(F)F)o2)cc1[N+](=O)[O-] ZINC001642045465 1101184801 /nfs/dbraw/zinc/18/48/01/1101184801.db2.gz QFHTXWJZFWKUTC-UHFFFAOYSA-N 0 0 345.233 2.963 10 5 EFBERN COc1cccc2c1[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC001642044585 1101185022 /nfs/dbraw/zinc/18/50/22/1101185022.db2.gz AVUYHOGOEXZWOI-GFCCVEGCSA-N 0 0 327.340 2.854 10 5 EFBERN Nc1ccc(NC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001642044924 1101185103 /nfs/dbraw/zinc/18/51/03/1101185103.db2.gz HWZQUEUVBGTGSF-AWEZNQCLSA-N 0 0 335.747 2.893 10 5 EFBERN Cc1nc2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2n1C ZINC001642044612 1101185119 /nfs/dbraw/zinc/18/51/19/1101185119.db2.gz BZQCIRDTGRWSBT-UHFFFAOYSA-N 0 0 325.328 2.624 10 5 EFBERN Nc1ccc(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC001642046346 1101185903 /nfs/dbraw/zinc/18/59/03/1101185903.db2.gz YVSLYJMVVNOQPR-CQSZACIVSA-N 0 0 343.339 2.597 10 5 EFBERN COC(=O)c1ccccc1CCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001642046066 1101186401 /nfs/dbraw/zinc/18/64/01/1101186401.db2.gz WILLATXPCPPBSB-UHFFFAOYSA-N 0 0 343.339 2.535 10 5 EFBERN Cn1c(CNc2cc(F)c([N+](=O)[O-])cc2CO)nc2ccccc21 ZINC001642068566 1101187424 /nfs/dbraw/zinc/18/74/24/1101187424.db2.gz DOTQXYDSCVKEAY-UHFFFAOYSA-N 0 0 330.319 2.725 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000840640521 1101188416 /nfs/dbraw/zinc/18/84/16/1101188416.db2.gz AATFTKBVAVRTMS-ZJUUUORDSA-N 0 0 341.747 2.881 10 5 EFBERN Cc1cccc(CC2CN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)c1 ZINC001642101781 1101189999 /nfs/dbraw/zinc/18/99/99/1101189999.db2.gz VINMQTRYOYNVOB-UHFFFAOYSA-N 0 0 334.763 2.594 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2ccc(O)cc2C1 ZINC001642105056 1101190787 /nfs/dbraw/zinc/19/07/87/1101190787.db2.gz IJZWVXPDRFCHEZ-UHFFFAOYSA-N 0 0 328.324 2.644 10 5 EFBERN COC(=O)CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001642165413 1101194818 /nfs/dbraw/zinc/19/48/18/1101194818.db2.gz HWRPZZMSKBEPNV-UHFFFAOYSA-N 0 0 335.291 2.814 10 5 EFBERN CC[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccccn1 ZINC001642212289 1101198141 /nfs/dbraw/zinc/19/81/41/1101198141.db2.gz NPSZOTNONFNMDC-JTQLQIEISA-N 0 0 343.368 2.876 10 5 EFBERN Cc1noc(COc2ccc(Oc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)n1 ZINC001642269602 1101203110 /nfs/dbraw/zinc/20/31/10/1101203110.db2.gz CFMXFTWEXAQYOD-UHFFFAOYSA-N 0 0 344.283 2.758 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)CN(c1cc(F)c([N+](=O)[O-])cc1CO)C2 ZINC001642347678 1101208521 /nfs/dbraw/zinc/20/85/21/1101208521.db2.gz HMGWSYBJYRDFHR-UHFFFAOYSA-N 0 0 333.275 2.655 10 5 EFBERN Cc1nc(N[C@@H](CC(N)=O)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC001642363229 1101208924 /nfs/dbraw/zinc/20/89/24/1101208924.db2.gz XFAYCDZNYYCRIR-LBPRGKRZSA-N 0 0 334.763 2.980 10 5 EFBERN Cc1ccc(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)nc1C ZINC001642349245 1101208951 /nfs/dbraw/zinc/20/89/51/1101208951.db2.gz HSECIKHJQYOTDU-UHFFFAOYSA-N 0 0 343.368 2.541 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CO)c(CO)c2)c1 ZINC001642412933 1101212319 /nfs/dbraw/zinc/21/23/19/1101212319.db2.gz PXGCCJYFYZZBSU-UHFFFAOYSA-N 0 0 348.380 2.554 10 5 EFBERN O=C1C[C@@H](c2cccc(Nc3cc(F)c([N+](=O)[O-])cc3CO)c2)CN1 ZINC001642471446 1101215896 /nfs/dbraw/zinc/21/58/96/1101215896.db2.gz DGAVJBDRMHQANG-LLVKDONJSA-N 0 0 345.330 2.573 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1COC2(CCCC2)O1 ZINC001642506054 1101217201 /nfs/dbraw/zinc/21/72/01/1101217201.db2.gz PNQJIOUDKNHSRL-GFCCVEGCSA-N 0 0 347.346 2.802 10 5 EFBERN CO[C@@H]1CCC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001642508970 1101218424 /nfs/dbraw/zinc/21/84/24/1101218424.db2.gz QSEUUAUJJZTNGB-ZUZCIYMTSA-N 0 0 346.343 2.700 10 5 EFBERN Cc1nc(-c2cccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])c2)cs1 ZINC001642518327 1101219949 /nfs/dbraw/zinc/21/99/49/1101219949.db2.gz RHKSFIUTICFJPZ-UHFFFAOYSA-N 0 0 343.368 2.680 10 5 EFBERN CNC(=O)[C@H](Cc1ccccc1)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001642566050 1101223711 /nfs/dbraw/zinc/22/37/11/1101223711.db2.gz WDOUTJZZQVWYRP-INIZCTEOSA-N 0 0 341.367 2.567 10 5 EFBERN O=[N+]([O-])c1ccc(Oc2ccnc(-c3nccs3)n2)cc1CO ZINC001642566063 1101224698 /nfs/dbraw/zinc/22/46/98/1101224698.db2.gz WSEOBGBMPAOGMB-UHFFFAOYSA-N 0 0 330.325 2.793 10 5 EFBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001642609006 1101226465 /nfs/dbraw/zinc/22/64/65/1101226465.db2.gz BOYMXWNHVXRALL-JTQLQIEISA-N 0 0 343.339 2.706 10 5 EFBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC001642609506 1101226536 /nfs/dbraw/zinc/22/65/36/1101226536.db2.gz UEWPTGMQWJMZIS-JTQLQIEISA-N 0 0 343.339 2.706 10 5 EFBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc(F)c1Br ZINC001642616229 1101227939 /nfs/dbraw/zinc/22/79/39/1101227939.db2.gz CRPKSQPKKAYCPR-UHFFFAOYSA-N 0 0 343.112 2.780 10 5 EFBERN CCOC1CC(O)(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001642631380 1101229190 /nfs/dbraw/zinc/22/91/90/1101229190.db2.gz HZJFHBVDFRAPIV-UHFFFAOYSA-N 0 0 334.294 2.956 10 5 EFBERN O=C(Nc1cnn2c1CCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001642628464 1101229254 /nfs/dbraw/zinc/22/92/54/1101229254.db2.gz JGLLUBIBIBFCPJ-UHFFFAOYSA-N 0 0 341.371 2.954 10 5 EFBERN C[C@@](CO)(NC(=O)c1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001642693419 1101232543 /nfs/dbraw/zinc/23/25/43/1101232543.db2.gz SJDRLUGABKDDFN-INIZCTEOSA-N 0 0 347.396 2.566 10 5 EFBERN Cc1cc(NCc2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])s1 ZINC001642689577 1101232570 /nfs/dbraw/zinc/23/25/70/1101232570.db2.gz GDSXEBBCMZDACZ-UHFFFAOYSA-N 0 0 326.399 2.980 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2cc(O)ccc2C)cc([N+](=O)[O-])c1 ZINC001642701790 1101233564 /nfs/dbraw/zinc/23/35/64/1101233564.db2.gz VQDXPAVBGHWODU-UHFFFAOYSA-N 0 0 330.296 2.648 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1ncc(C(F)(F)F)cn1 ZINC001642707058 1101234669 /nfs/dbraw/zinc/23/46/69/1101234669.db2.gz ISQITQHITICUGF-UHFFFAOYSA-N 0 0 349.272 2.986 10 5 EFBERN CCc1nnc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])[nH]1 ZINC001642723680 1101236154 /nfs/dbraw/zinc/23/61/54/1101236154.db2.gz WAGSUAPCSUFSMB-UHFFFAOYSA-N 0 0 332.751 2.511 10 5 EFBERN NC(=O)c1cc(Nc2ccc([C@@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC001642734221 1101237949 /nfs/dbraw/zinc/23/79/49/1101237949.db2.gz AVIAYQIZPFBAEF-GFCCVEGCSA-N 0 0 327.340 2.941 10 5 EFBERN O=c1cc[nH]c(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])c1 ZINC001642777677 1101241401 /nfs/dbraw/zinc/24/14/01/1101241401.db2.gz GHURETWOPWYKEY-UHFFFAOYSA-N 0 0 330.731 2.519 10 5 EFBERN Cc1cnc(NC2CN(C(=O)OCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001642787833 1101242466 /nfs/dbraw/zinc/24/24/66/1101242466.db2.gz ZZCFZGGMTJWATJ-UHFFFAOYSA-N 0 0 342.355 2.731 10 5 EFBERN CS(=O)(=O)c1ccccc1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC001642800415 1101243371 /nfs/dbraw/zinc/24/33/71/1101243371.db2.gz QCRLRWYLXKXCOV-UHFFFAOYSA-N 0 0 342.323 2.889 10 5 EFBERN C[C@@H]1[C@H](Nc2nn(C)cc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001642823297 1101244623 /nfs/dbraw/zinc/24/46/23/1101244623.db2.gz AUMARNPURJPKBF-GHMZBOCLSA-N 0 0 339.396 2.528 10 5 EFBERN CC[C@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001642819678 1101244966 /nfs/dbraw/zinc/24/49/66/1101244966.db2.gz AZLMHDASTGHLST-NEPJUHHUSA-N 0 0 341.433 2.740 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001642849112 1101248987 /nfs/dbraw/zinc/24/89/87/1101248987.db2.gz WCPCJYHLLNPWQP-NSHDSACASA-N 0 0 325.321 2.893 10 5 EFBERN O=C(N1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C12CCC(CC1)C2 ZINC001642872510 1101251673 /nfs/dbraw/zinc/25/16/73/1101251673.db2.gz PKDQNNFFYJOCSI-UHFFFAOYSA-N 0 0 343.427 2.819 10 5 EFBERN O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001642885241 1101252742 /nfs/dbraw/zinc/25/27/42/1101252742.db2.gz DCBFFWLMSKKYAK-HNNXBMFYSA-N 0 0 343.314 2.937 10 5 EFBERN COc1ccccc1NCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001642929932 1101257517 /nfs/dbraw/zinc/25/75/17/1101257517.db2.gz ZDOZVVJPWZYNRV-UHFFFAOYSA-N 0 0 329.356 2.640 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1(CO)CCCC1 ZINC001642936940 1101257581 /nfs/dbraw/zinc/25/75/81/1101257581.db2.gz RJFIYMSUZBXAJN-UHFFFAOYSA-N 0 0 342.779 2.999 10 5 EFBERN Cc1ccc(CNC(=O)c2ccc(N(C)C)c(C=O)c2)cc1[N+](=O)[O-] ZINC001642929791 1101258114 /nfs/dbraw/zinc/25/81/14/1101258114.db2.gz RWGYZNGWVLGKPE-UHFFFAOYSA-N 0 0 341.367 2.712 10 5 EFBERN COC(=O)c1cc(CNc2ccc([N+](=O)[O-])c3cccnc23)ccn1 ZINC001642997320 1101262807 /nfs/dbraw/zinc/26/28/07/1101262807.db2.gz XBGNHHJTIDYUML-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN NC(=O)c1ccnc(NCc2ccnc(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001643017436 1101263424 /nfs/dbraw/zinc/26/34/24/1101263424.db2.gz VYVZYOXIVGRTRD-UHFFFAOYSA-N 0 0 349.350 2.763 10 5 EFBERN CCOC(=O)C(CC)(CC)CNc1c([N+](=O)[O-])nc(C)n1CC ZINC001643019554 1101264029 /nfs/dbraw/zinc/26/40/29/1101264029.db2.gz NTADWPNJRAACNN-UHFFFAOYSA-N 0 0 326.397 2.901 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1NCc1nnc(C2CCOCC2)[nH]1 ZINC001643036363 1101265468 /nfs/dbraw/zinc/26/54/68/1101265468.db2.gz ILSNJOURQVHACS-UHFFFAOYSA-N 0 0 337.767 2.872 10 5 EFBERN CC1(C)C[C@H](O)CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001643063337 1101267464 /nfs/dbraw/zinc/26/74/64/1101267464.db2.gz CVVCSGQEJZVTEV-JTQLQIEISA-N 0 0 329.194 2.955 10 5 EFBERN COc1cccc(CC2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)c1 ZINC001643055749 1101267643 /nfs/dbraw/zinc/26/76/43/1101267643.db2.gz PKYBIZYJDUGTMK-UHFFFAOYSA-N 0 0 330.388 2.796 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[C@@H](O)C1CCCC1 ZINC001643082538 1101269642 /nfs/dbraw/zinc/26/96/42/1101269642.db2.gz SXUDXRBSSGYODF-QGZVFWFLSA-N 0 0 347.415 2.840 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001643102778 1101269809 /nfs/dbraw/zinc/26/98/09/1101269809.db2.gz WYZOJVAVMDLBRJ-NSHDSACASA-N 0 0 339.396 2.530 10 5 EFBERN CCOC(=O)c1ccnc(NCC[C@@H]2CC(C)(C)CO2)c1[N+](=O)[O-] ZINC001643172983 1101276617 /nfs/dbraw/zinc/27/66/17/1101276617.db2.gz ZIAIXBGEDPPCQR-LLVKDONJSA-N 0 0 337.376 2.784 10 5 EFBERN Cc1ccc(NCCN2Cc3ccccc3OCC2=O)c([N+](=O)[O-])c1 ZINC001643167747 1101277185 /nfs/dbraw/zinc/27/71/85/1101277185.db2.gz CBFVYTAXRHSRBX-UHFFFAOYSA-N 0 0 341.367 2.736 10 5 EFBERN CN(Cc1ncc(Br)cn1)c1ccc([N+](=O)[O-])cc1F ZINC001643187431 1101277664 /nfs/dbraw/zinc/27/76/64/1101277664.db2.gz ONVZWBXOHWWWIK-UHFFFAOYSA-N 0 0 341.140 2.923 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1nc2c(s1)COCC2 ZINC001643216926 1101281271 /nfs/dbraw/zinc/28/12/71/1101281271.db2.gz LLSKPZZJZACNRJ-UHFFFAOYSA-N 0 0 336.329 2.644 10 5 EFBERN Cc1cccc(C(=O)NCc2cc(C(F)(F)F)n[nH]2)c1[N+](=O)[O-] ZINC001643217882 1101281723 /nfs/dbraw/zinc/28/17/23/1101281723.db2.gz AFYJDRIUCQNWLP-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN COC(=O)c1ccnc(NCC[C@H]2CCC(C)(C)CO2)c1[N+](=O)[O-] ZINC001643247773 1101283423 /nfs/dbraw/zinc/28/34/23/1101283423.db2.gz NWQYWYOQJVEPRL-LLVKDONJSA-N 0 0 337.376 2.784 10 5 EFBERN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001643260233 1101285066 /nfs/dbraw/zinc/28/50/66/1101285066.db2.gz VFYFFPKTCUDKOE-MRXNPFEDSA-N 0 0 338.408 2.667 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCOC1CCSCC1 ZINC001643282554 1101286982 /nfs/dbraw/zinc/28/69/82/1101286982.db2.gz JLTKILBWWRFTIH-UHFFFAOYSA-N 0 0 327.362 2.827 10 5 EFBERN NS(=O)(=O)c1ccc(NC[C@@H]2CCC=CCCC2)c([N+](=O)[O-])c1 ZINC001643294588 1101288555 /nfs/dbraw/zinc/28/85/55/1101288555.db2.gz PIRYFCWZSGGDJC-GFCCVEGCSA-N 0 0 339.417 2.791 10 5 EFBERN O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001643314729 1101289515 /nfs/dbraw/zinc/28/95/15/1101289515.db2.gz RVZYQWKDIJFTQH-WBVHZDCISA-N 0 0 344.298 2.691 10 5 EFBERN CCOC(OCC)[C@H](C)Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001643327012 1101290543 /nfs/dbraw/zinc/29/05/43/1101290543.db2.gz ABBXOAQFGYYBOO-JTQLQIEISA-N 0 0 328.365 2.812 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001643319810 1101290967 /nfs/dbraw/zinc/29/09/67/1101290967.db2.gz MNKMPQVTLDMPMH-NSHDSACASA-N 0 0 339.396 2.528 10 5 EFBERN Cc1cccc(C(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC001643381962 1101293847 /nfs/dbraw/zinc/29/38/47/1101293847.db2.gz GHGSGUQHZDGNJW-ZETCQYMHSA-N 0 0 344.249 2.796 10 5 EFBERN Cc1cccc(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC001643381961 1101293899 /nfs/dbraw/zinc/29/38/99/1101293899.db2.gz GHGSGUQHZDGNJW-SSDOTTSWSA-N 0 0 344.249 2.796 10 5 EFBERN CC[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001643376668 1101294284 /nfs/dbraw/zinc/29/42/84/1101294284.db2.gz ZVLSKYVNGSGDAO-CYBMUJFWSA-N 0 0 327.340 2.568 10 5 EFBERN COc1cccc(C(=O)CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001643388148 1101295154 /nfs/dbraw/zinc/29/51/54/1101295154.db2.gz YXHGFVODSQVXKB-LBPRGKRZSA-N 0 0 342.351 2.706 10 5 EFBERN CCc1csc([C@@H](C)NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001643382729 1101295486 /nfs/dbraw/zinc/29/54/86/1101295486.db2.gz UUHYEPTZFFBJOZ-NOZJJQNGSA-N 0 0 335.385 2.525 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2cc(C)ccc2F)cc1[N+](=O)[O-] ZINC001643419391 1101297599 /nfs/dbraw/zinc/29/75/99/1101297599.db2.gz CAPOCVUXWMYDIY-UHFFFAOYSA-N 0 0 346.314 2.664 10 5 EFBERN COCC1(C2CC2)CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001643431528 1101297662 /nfs/dbraw/zinc/29/76/62/1101297662.db2.gz SNBJXGHVTMZZJB-UHFFFAOYSA-N 0 0 338.791 2.676 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001643472677 1101302175 /nfs/dbraw/zinc/30/21/75/1101302175.db2.gz KNLXCGLBUUGRRV-WBMJQRKESA-N 0 0 329.331 2.932 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cn2c(cccc2C)n1 ZINC001643509656 1101304498 /nfs/dbraw/zinc/30/44/98/1101304498.db2.gz OQZKKXPTGCQDMQ-UHFFFAOYSA-N 0 0 345.380 2.833 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1noc2c1CCCC2 ZINC001643509981 1101304663 /nfs/dbraw/zinc/30/46/63/1101304663.db2.gz ZLYRDJQRASXZDH-UHFFFAOYSA-N 0 0 336.369 2.744 10 5 EFBERN CCc1ccc(C(=O)NCCc2ccc(OC)c(O)c2)cc1[N+](=O)[O-] ZINC001651331804 1101312203 /nfs/dbraw/zinc/31/22/03/1101312203.db2.gz JWZZVYKNALBSMH-UHFFFAOYSA-N 0 0 344.367 2.844 10 5 EFBERN CCOCc1ccccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001651359914 1101315578 /nfs/dbraw/zinc/31/55/78/1101315578.db2.gz GIQNKLSEUHJQGI-UHFFFAOYSA-N 0 0 329.356 2.842 10 5 EFBERN CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])Cc2cccnc21 ZINC001651356295 1101315594 /nfs/dbraw/zinc/31/55/94/1101315594.db2.gz ZXOXOWWPDSFPOJ-UHFFFAOYSA-N 0 0 335.367 2.994 10 5 EFBERN CN(C)[C@@H](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001651400700 1101322057 /nfs/dbraw/zinc/32/20/57/1101322057.db2.gz FNCZGBJRSNEHOD-JTQLQIEISA-N 0 0 336.270 2.798 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCc1ccc(OCc2ccccn2)cc1 ZINC001651401262 1101323141 /nfs/dbraw/zinc/32/31/41/1101323141.db2.gz FVLMUSAQUVULQM-UHFFFAOYSA-N 0 0 339.355 2.914 10 5 EFBERN O=[N+]([O-])c1cc(F)c(N[C@H]2CCCN3CCSC[C@H]23)c(F)c1 ZINC001651411825 1101323610 /nfs/dbraw/zinc/32/36/10/1101323610.db2.gz LRYDIDLEDTZBFM-QWHCGFSZSA-N 0 0 329.372 2.865 10 5 EFBERN O=[N+]([O-])c1cc(F)c(N[C@@H]2CCCN3CCSC[C@H]23)c(F)c1 ZINC001651411823 1101324714 /nfs/dbraw/zinc/32/47/14/1101324714.db2.gz LRYDIDLEDTZBFM-CHWSQXEVSA-N 0 0 329.372 2.865 10 5 EFBERN CNC(=O)N[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001651418831 1101326706 /nfs/dbraw/zinc/32/67/06/1101326706.db2.gz WWRTUFZONVBHPQ-MRVPVSSYSA-N 0 0 347.202 2.799 10 5 EFBERN O=C(NCC1(CF)CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000833868224 1101327114 /nfs/dbraw/zinc/32/71/14/1101327114.db2.gz BGYIUOQKXRLPIP-UHFFFAOYSA-N 0 0 330.743 2.744 10 5 EFBERN Cc1ccc(C)c(OC2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)c1 ZINC001651427287 1101327920 /nfs/dbraw/zinc/32/79/20/1101327920.db2.gz RKOBCBSPRPGZQG-UHFFFAOYSA-N 0 0 330.388 2.993 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC001651432609 1101328332 /nfs/dbraw/zinc/32/83/32/1101328332.db2.gz WMQAOUDDJZSNPD-ZYHUDNBSSA-N 0 0 336.392 2.966 10 5 EFBERN CCOC(=O)c1ccnc(NCC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC001651468679 1101333977 /nfs/dbraw/zinc/33/39/77/1101333977.db2.gz XKGJBVVMDRLDJH-AAEUAGOBSA-N 0 0 337.376 2.520 10 5 EFBERN CC1(C)CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1c1ccccc1 ZINC001651466114 1101334449 /nfs/dbraw/zinc/33/44/49/1101334449.db2.gz SQPJBGTYRUZTFR-CYBMUJFWSA-N 0 0 327.388 2.987 10 5 EFBERN CCC[C@@H](O)CCNc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651474027 1101334944 /nfs/dbraw/zinc/33/49/44/1101334944.db2.gz WDKCIDDYOZJYLG-MRXNPFEDSA-N 0 0 344.415 2.999 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Nc2cnn(Cc3ccccn3)c2)cc1F ZINC001651472435 1101335428 /nfs/dbraw/zinc/33/54/28/1101335428.db2.gz FLCZZGNNRMGZIX-UHFFFAOYSA-N 0 0 343.318 2.610 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NC1CC(NCC(F)(F)F)C1)CCCC2 ZINC001651484372 1101336248 /nfs/dbraw/zinc/33/62/48/1101336248.db2.gz GCNIEKNSRZNXLY-UHFFFAOYSA-N 0 0 344.337 2.963 10 5 EFBERN COC(=O)/C(C)=C\COC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000748161607 1101337408 /nfs/dbraw/zinc/33/74/08/1101337408.db2.gz NEWXSNKBENTGQB-TWGQIWQCSA-N 0 0 325.342 2.593 10 5 EFBERN CC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)[C@@H](O)c1ccccc1 ZINC001651491501 1101337572 /nfs/dbraw/zinc/33/75/72/1101337572.db2.gz GOULYAHRPDCSKP-PBHICJAKSA-N 0 0 343.383 2.727 10 5 EFBERN CC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)[C@@H](O)c1ccccc1 ZINC001651491504 1101337614 /nfs/dbraw/zinc/33/76/14/1101337614.db2.gz GOULYAHRPDCSKP-YOEHRIQHSA-N 0 0 343.383 2.727 10 5 EFBERN NC(=O)C1CCC(Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001651493683 1101338817 /nfs/dbraw/zinc/33/88/17/1101338817.db2.gz ZDBAJDDUPCCFKQ-UHFFFAOYSA-N 0 0 348.790 2.674 10 5 EFBERN COC(=O)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccc(C)cc1 ZINC001651503238 1101339573 /nfs/dbraw/zinc/33/95/73/1101339573.db2.gz JIUYEZNVTOGEDF-GFCCVEGCSA-N 0 0 349.774 2.742 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC001651503980 1101339730 /nfs/dbraw/zinc/33/97/30/1101339730.db2.gz AZNBYDWOKVHUBS-SNVBAGLBSA-N 0 0 349.778 2.743 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)Cc2cccnc2)c1[N+](=O)[O-] ZINC001651507514 1101339982 /nfs/dbraw/zinc/33/99/82/1101339982.db2.gz YBWVFWAYXSOABR-SNVBAGLBSA-N 0 0 330.344 2.523 10 5 EFBERN C[C@@H](Cc1cccnc1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001651509641 1101340891 /nfs/dbraw/zinc/34/08/91/1101340891.db2.gz MUXOOHLAEIZAGA-LBPRGKRZSA-N 0 0 338.367 2.885 10 5 EFBERN COC(=O)c1ccc2c(c1)OCCN(c1ccc(F)cc1[N+](=O)[O-])C2 ZINC001651506986 1101341123 /nfs/dbraw/zinc/34/11/23/1101341123.db2.gz GVOCOBTYVUPQEK-UHFFFAOYSA-N 0 0 346.314 2.920 10 5 EFBERN O=[N+]([O-])c1ncccc1Oc1cccnc1I ZINC001651525543 1101343937 /nfs/dbraw/zinc/34/39/37/1101343937.db2.gz SBNZPMQTYVSMGU-UHFFFAOYSA-N 0 0 343.080 2.782 10 5 EFBERN O=C(CCc1ccccc1)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC001651553094 1101347368 /nfs/dbraw/zinc/34/73/68/1101347368.db2.gz VDPMHODPITURMZ-UHFFFAOYSA-N 0 0 337.335 2.507 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)c2nnc(C)o2)cc1C ZINC001651630287 1101357204 /nfs/dbraw/zinc/35/72/04/1101357204.db2.gz ROHOHFBIJGZUGY-VIFPVBQESA-N 0 0 334.332 2.944 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc2nc[nH]c(=O)c21 ZINC001651643942 1101360177 /nfs/dbraw/zinc/36/01/77/1101360177.db2.gz YFLIUQWOJZSSPX-UHFFFAOYSA-N 0 0 342.286 2.564 10 5 EFBERN Cc1c(CCC(=O)OCCSc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000784934403 1101361250 /nfs/dbraw/zinc/36/12/50/1101361250.db2.gz OMVOASQCLZBWTK-UHFFFAOYSA-N 0 0 349.412 2.905 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccc2nccnc2c1 ZINC001651661993 1101364181 /nfs/dbraw/zinc/36/41/81/1101364181.db2.gz FLJCKPGYASAGMT-UHFFFAOYSA-N 0 0 343.364 2.820 10 5 EFBERN Cc1c(C(=O)NCc2cncc(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001651677485 1101365497 /nfs/dbraw/zinc/36/54/97/1101365497.db2.gz BZGFPRVBERCHHU-UHFFFAOYSA-N 0 0 348.290 2.584 10 5 EFBERN CC(C)[C@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCO1 ZINC001651687501 1101368692 /nfs/dbraw/zinc/36/86/92/1101368692.db2.gz MKFIPGBHJXLLNW-OAHLLOKOSA-N 0 0 346.343 2.912 10 5 EFBERN C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001651748414 1101377299 /nfs/dbraw/zinc/37/72/99/1101377299.db2.gz VTKFJKAAFWMTJL-SECBINFHSA-N 0 0 334.763 2.806 10 5 EFBERN COC(=O)c1ccnc(SCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC001651784260 1101380201 /nfs/dbraw/zinc/38/02/01/1101380201.db2.gz ASTCRHPTZQXGOE-UHFFFAOYSA-N 0 0 348.336 2.797 10 5 EFBERN C/C(=C/C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC001648788154 1101381899 /nfs/dbraw/zinc/38/18/99/1101381899.db2.gz GCYZXMLCXXNNSI-QJWNTBNXSA-N 0 0 330.340 2.615 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3cc(CO)ccc3F)n2)c1 ZINC001651796405 1101381925 /nfs/dbraw/zinc/38/19/25/1101381925.db2.gz AZDQXJCZPVFGTF-UHFFFAOYSA-N 0 0 328.303 2.533 10 5 EFBERN COC(=O)c1cc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC001651789036 1101382400 /nfs/dbraw/zinc/38/24/00/1101382400.db2.gz BEAOURVVDZMXKW-UHFFFAOYSA-N 0 0 344.352 2.750 10 5 EFBERN Cc1cc(NCc2ccc(S(N)(=O)=O)c(C)c2)c([N+](=O)[O-])s1 ZINC001651809494 1101386841 /nfs/dbraw/zinc/38/68/41/1101386841.db2.gz SPGWKIJZASVKTK-UHFFFAOYSA-N 0 0 341.414 2.533 10 5 EFBERN Cn1cc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c(-c2ccccc2Cl)n1 ZINC001651835304 1101391673 /nfs/dbraw/zinc/39/16/73/1101391673.db2.gz YJBUXOBMICDKTJ-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(NCCc2ccc3c[nH]nc3c2)cc1F ZINC001651843315 1101392674 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O=c1oc2cccc([N+](=O)[O-])c2n1Cc1nnc(-c2ccccc2)o1 ZINC001651958089 1101408765 /nfs/dbraw/zinc/40/87/65/1101408765.db2.gz GHVFWNVPYXIFJG-UHFFFAOYSA-N 0 0 338.279 2.601 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCCC3(O)CCC3)c2c1 ZINC001651954598 1101409605 /nfs/dbraw/zinc/40/96/05/1101409605.db2.gz QMMBZJSVFJHZKB-UHFFFAOYSA-N 0 0 346.343 2.580 10 5 EFBERN Cc1ccc([C@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001651984054 1101412536 /nfs/dbraw/zinc/41/25/36/1101412536.db2.gz HFFRQXKKJFNOKS-BDJLRTHQSA-N 0 0 329.356 2.536 10 5 EFBERN CC[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC)C(=O)OC ZINC001651984052 1101412576 /nfs/dbraw/zinc/41/25/76/1101412576.db2.gz GYUGMRJMXAOZOL-QMMMGPOBSA-N 0 0 344.751 2.646 10 5 EFBERN CCOC(=O)c1cc(COc2ccc([N+](=O)[O-])c(F)c2F)on1 ZINC001651993598 1101415306 /nfs/dbraw/zinc/41/53/06/1101415306.db2.gz AKJPAYZHKXNZRU-UHFFFAOYSA-N 0 0 328.227 2.617 10 5 EFBERN COc1cccc2c1OCC[C@@H]2Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001651993415 1101415387 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ZLTJWXBBUKHQNM-UHFFFAOYSA-N 0 0 347.774 2.762 10 5 EFBERN COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)sn1 ZINC001652772362 1101543973 /nfs/dbraw/zinc/54/39/73/1101543973.db2.gz WPKDODZNYAMUHC-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN Cc1nsc2ncn(Cc3cc(Cl)ccc3[N+](=O)[O-])c(=O)c12 ZINC001652804142 1101548376 /nfs/dbraw/zinc/54/83/76/1101548376.db2.gz OSOAZTMLUBROQJ-UHFFFAOYSA-N 0 0 336.760 2.771 10 5 EFBERN O=C(Cn1cnc2sc([N+](=O)[O-])cc2c1=O)c1cccc(Cl)c1 ZINC001652828684 1101552248 /nfs/dbraw/zinc/55/22/48/1101552248.db2.gz XPSZUYWLTCEVSJ-UHFFFAOYSA-N 0 0 349.755 2.903 10 5 EFBERN Cc1cnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[nH]c1=O ZINC001652851697 1101556602 /nfs/dbraw/zinc/55/66/02/1101556602.db2.gz VHFMQDYSXPWNAS-UHFFFAOYSA-N 0 0 345.340 2.741 10 5 EFBERN CCc1cnc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)o1 ZINC001652922721 1101566410 /nfs/dbraw/zinc/56/64/10/1101566410.db2.gz OSMGKWQNYSRWFK-UHFFFAOYSA-N 0 0 327.300 2.788 10 5 EFBERN O=Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1F ZINC001652936587 1101567866 /nfs/dbraw/zinc/56/78/66/1101567866.db2.gz AAUYDCMPTRYPQY-UHFFFAOYSA-N 0 0 333.271 2.992 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001652957164 1101569371 /nfs/dbraw/zinc/56/93/71/1101569371.db2.gz HAGUMCPHNKPNCC-WQAKAFBOSA-N 0 0 325.315 2.509 10 5 EFBERN COc1ccccc1NC(=O)COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001652950523 1101570477 /nfs/dbraw/zinc/57/04/77/1101570477.db2.gz KONCDKDKXPVAFN-UHFFFAOYSA-N 0 0 347.283 2.529 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2coc(-c3cccc(F)c3)n2)c1=O ZINC001652997418 1101576326 /nfs/dbraw/zinc/57/63/26/1101576326.db2.gz AEOVZGLUJLEDPZ-UHFFFAOYSA-N 0 0 345.286 2.608 10 5 EFBERN O=[N+]([O-])c1ccc(Cn2cnc3nccnc32)c(Br)c1 ZINC001653021929 1101577631 /nfs/dbraw/zinc/57/76/31/1101577631.db2.gz OXVNMHQFQVKUHT-UHFFFAOYSA-N 0 0 334.133 2.545 10 5 EFBERN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1OC(F)F ZINC001653040243 1101579167 /nfs/dbraw/zinc/57/91/67/1101579167.db2.gz 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ZINC001654038960 1101673884 /nfs/dbraw/zinc/67/38/84/1101673884.db2.gz WHCCVOMRPFPWRF-JTQLQIEISA-N 0 0 342.417 2.834 10 5 EFBERN CN1c2ccccc2CN(Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC001654268120 1101700632 /nfs/dbraw/zinc/70/06/32/1101700632.db2.gz ZDEMTQAPRVOAQQ-UHFFFAOYSA-N 0 0 329.331 2.713 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(-c3ccccc3)on2)c1[N+](=O)[O-] ZINC001654336289 1101705820 /nfs/dbraw/zinc/70/58/20/1101705820.db2.gz WWUWNQRRTUTRQD-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN COC(=O)[C@](C)(NCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001654440898 1101718219 /nfs/dbraw/zinc/71/82/19/1101718219.db2.gz JLTIJPWDNNYZTP-GOSISDBHSA-N 0 0 346.358 2.954 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H]1C ZINC001654653662 1101744922 /nfs/dbraw/zinc/74/49/22/1101744922.db2.gz PAZYWVCJCODUIA-LLVKDONJSA-N 0 0 335.429 2.625 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])C(=O)c1ccc(O)cc1 ZINC001654679183 1101748632 /nfs/dbraw/zinc/74/86/32/1101748632.db2.gz YCHWAGAKXPLQTK-UHFFFAOYSA-N 0 0 337.291 2.670 10 5 EFBERN COc1ccc(Cl)cc1CN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001654945920 1101771897 /nfs/dbraw/zinc/77/18/97/1101771897.db2.gz HLDQKAUXVGGODB-UHFFFAOYSA-N 0 0 349.774 2.992 10 5 EFBERN C[C@H]1Oc2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])cc2NC1=O ZINC001654921342 1101772334 /nfs/dbraw/zinc/77/23/34/1101772334.db2.gz OILNBHFMABLFQJ-SSDOTTSWSA-N 0 0 334.719 2.528 10 5 EFBERN COc1cc(NCC(=O)NCc2ccco2)c(Cl)cc1[N+](=O)[O-] ZINC001654992038 1101774475 /nfs/dbraw/zinc/77/44/75/1101774475.db2.gz YTLMORWNIJOHCA-UHFFFAOYSA-N 0 0 339.735 2.578 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2cccc(Cn3cccn3)c2)c(F)c1 ZINC001655010812 1101777666 /nfs/dbraw/zinc/77/76/66/1101777666.db2.gz LDRUAKGBICUBQN-UHFFFAOYSA-N 0 0 327.319 2.986 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(Cc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC001655036785 1101780511 /nfs/dbraw/zinc/78/05/11/1101780511.db2.gz QLBNAAPUFNXUHO-KRWDZBQOSA-N 0 0 336.363 2.852 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3c(C)noc3C)c2c1 ZINC001655109494 1101785772 /nfs/dbraw/zinc/78/57/72/1101785772.db2.gz NNLDAKHBDUELFM-UHFFFAOYSA-N 0 0 342.355 2.833 10 5 EFBERN COC(=O)CCc1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001655112312 1101785975 /nfs/dbraw/zinc/78/59/75/1101785975.db2.gz VZQJMNZRHIKYAL-UHFFFAOYSA-N 0 0 335.747 2.914 10 5 EFBERN CC(=O)NCc1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001655125926 1101788499 /nfs/dbraw/zinc/78/84/99/1101788499.db2.gz SENATIACLAKYTF-UHFFFAOYSA-N 0 0 333.319 2.606 10 5 EFBERN COc1ccc2[nH]cc(CCNc3cc[nH]c(=O)c3[N+](=O)[O-])c2c1 ZINC001655122653 1101789195 /nfs/dbraw/zinc/78/91/95/1101789195.db2.gz KVVWWPGMTKDUOJ-UHFFFAOYSA-N 0 0 328.328 2.840 10 5 EFBERN Cc1[nH][nH]c(=O)c1CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001655149364 1101790626 /nfs/dbraw/zinc/79/06/26/1101790626.db2.gz GLZNKIQMDPRCMS-ZETCQYMHSA-N 0 0 331.159 2.826 10 5 EFBERN Cc1[nH][nH]c(=O)c1CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001655149363 1101790653 /nfs/dbraw/zinc/79/06/53/1101790653.db2.gz GLZNKIQMDPRCMS-SSDOTTSWSA-N 0 0 331.159 2.826 10 5 EFBERN COc1cc(CCNc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1O ZINC001655154526 1101790874 /nfs/dbraw/zinc/79/08/74/1101790874.db2.gz PAYRKOWMADEGML-UHFFFAOYSA-N 0 0 348.355 2.981 10 5 EFBERN COC(=O)Cc1ccc(N[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC001655179283 1101791744 /nfs/dbraw/zinc/79/17/44/1101791744.db2.gz MAELVNKQTXNICN-PBHICJAKSA-N 0 0 336.388 2.926 10 5 EFBERN O=C(N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001655177305 1101791857 /nfs/dbraw/zinc/79/18/57/1101791857.db2.gz XIOVZDBTKOXUSG-HNNXBMFYSA-N 0 0 325.368 2.994 10 5 EFBERN CC(C)(O)COc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001655170976 1101792618 /nfs/dbraw/zinc/79/26/18/1101792618.db2.gz MFLUFPFNVPTDCV-UHFFFAOYSA-N 0 0 345.355 2.587 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001655198662 1101794470 /nfs/dbraw/zinc/79/44/70/1101794470.db2.gz MILOBOJVBMEVJN-UHFFFAOYSA-N 0 0 332.751 2.970 10 5 EFBERN Cc1c(F)cccc1N(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@@H]1C ZINC001655302661 1101806691 /nfs/dbraw/zinc/80/66/91/1101806691.db2.gz GWLKQNPOGHMAOB-DYVFJYSZSA-N 0 0 348.378 2.923 10 5 EFBERN CC(C)/C=C/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000785034754 1101820460 /nfs/dbraw/zinc/82/04/60/1101820460.db2.gz SBHXNTODYRFECO-ZZXKWVIFSA-N 0 0 326.736 2.942 10 5 EFBERN CCOc1ccc(NC(=O)COC(=O)/C=C/C(C)C)c([N+](=O)[O-])c1 ZINC000785034469 1101824538 /nfs/dbraw/zinc/82/45/38/1101824538.db2.gz HKHHRIKJIQWUDG-VMPITWQZSA-N 0 0 336.344 2.687 10 5 EFBERN O=Cc1cnc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc1 ZINC001655447140 1101826536 /nfs/dbraw/zinc/82/65/36/1101826536.db2.gz FLUHQGIMJAXRID-UHFFFAOYSA-N 0 0 326.234 2.828 10 5 EFBERN Cc1cc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n(C)n1 ZINC001655452375 1101827775 /nfs/dbraw/zinc/82/77/75/1101827775.db2.gz JOYQORIODJMGPN-UHFFFAOYSA-N 0 0 332.751 2.845 10 5 EFBERN CNC(=O)C[C@@H](C)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001655483929 1101832896 /nfs/dbraw/zinc/83/28/96/1101832896.db2.gz MVZVPAFHMGJMSZ-GFCCVEGCSA-N 0 0 341.367 2.762 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCC[C@H]3CCOC3)c2c1 ZINC001655478328 1101832910 /nfs/dbraw/zinc/83/29/10/1101832910.db2.gz WNJGIVJZFFVZHD-LBPRGKRZSA-N 0 0 331.372 2.802 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCc1nnc(C2CC2)[nH]1 ZINC001655512794 1101838692 /nfs/dbraw/zinc/83/86/92/1101838692.db2.gz YEYKYJRCTNYQGG-UHFFFAOYSA-N 0 0 344.762 2.826 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NC[C@H](O)Cc3cccc(F)c3)c2c1 ZINC001655515530 1101838945 /nfs/dbraw/zinc/83/89/45/1101838945.db2.gz ACTIXKDMSYMNCS-CQSZACIVSA-N 0 0 342.330 2.693 10 5 EFBERN Cc1ccnc(NCCc2cnc3c(Cl)cnn3c2)c1[N+](=O)[O-] ZINC001655526082 1101841912 /nfs/dbraw/zinc/84/19/12/1101841912.db2.gz YZLYILNKVBGXNG-UHFFFAOYSA-N 0 0 332.751 2.649 10 5 EFBERN Cc1nc([C@@H]2CCCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001655569511 1101848716 /nfs/dbraw/zinc/84/87/16/1101848716.db2.gz RLABJCARENMGLA-HOTGVXAUSA-N 0 0 330.388 2.805 10 5 EFBERN Cc1noc(CN2CCc3nc[nH]c3C23CCCCC3)c1[N+](=O)[O-] ZINC001655578363 1101848946 /nfs/dbraw/zinc/84/89/46/1101848946.db2.gz ISHVRSFOBXJEEE-UHFFFAOYSA-N 0 0 331.376 2.832 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC001655579889 1101849782 /nfs/dbraw/zinc/84/97/82/1101849782.db2.gz ZYESXCSTTASZNU-LBPRGKRZSA-N 0 0 338.408 2.667 10 5 EFBERN Cc1c(Br)cccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001655612181 1101859995 /nfs/dbraw/zinc/85/99/95/1101859995.db2.gz LYZGASWDSHPAAJ-UHFFFAOYSA-N 0 0 338.165 2.650 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ncccc1O ZINC001655615163 1101860137 /nfs/dbraw/zinc/86/01/37/1101860137.db2.gz YFFXJEASCAOLDV-QWRGUYRKSA-N 0 0 330.344 2.771 10 5 EFBERN COC(=O)C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CC1 ZINC001655672854 1101868025 /nfs/dbraw/zinc/86/80/25/1101868025.db2.gz RFVSWWZSROKPLD-CYBMUJFWSA-N 0 0 333.388 2.870 10 5 EFBERN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001266682539 1101878497 /nfs/dbraw/zinc/87/84/97/1101878497.db2.gz IVHKRQKVTCADLU-YPMHNXCESA-N 0 0 329.360 2.579 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(CN[C@H]3CCOC34CCCC4)n2)cc1 ZINC001655823839 1101899424 /nfs/dbraw/zinc/89/94/24/1101899424.db2.gz NDEMDUDPMHBLKX-AWEZNQCLSA-N 0 0 344.371 2.836 10 5 EFBERN COC(=O)c1ccnc(Oc2ccc(C=O)c(F)c2F)c1[N+](=O)[O-] ZINC001655842532 1101900035 /nfs/dbraw/zinc/90/00/35/1101900035.db2.gz PIVSKFXJAFZNMF-UHFFFAOYSA-N 0 0 338.222 2.659 10 5 EFBERN Cc1cc(=O)[nH]c(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC001655848071 1101900250 /nfs/dbraw/zinc/90/02/50/1101900250.db2.gz NURITNWNZFSVJV-SNVBAGLBSA-N 0 0 349.778 2.743 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2c3ccccc3OC[C@H]2F)c1[N+](=O)[O-] ZINC001655842660 1101900428 /nfs/dbraw/zinc/90/04/28/1101900428.db2.gz USZDPHTUCWQPED-YPMHNXCESA-N 0 0 347.302 2.660 10 5 EFBERN COC(=O)c1cc(C)nc(NCC2(C3(O)CCC3)CCC2)c1[N+](=O)[O-] ZINC001655842814 1101900762 /nfs/dbraw/zinc/90/07/62/1101900762.db2.gz ZSZUDBQJSXPWBG-UHFFFAOYSA-N 0 0 349.387 2.582 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cc(F)ccc2OC)n1 ZINC001655845766 1101901017 /nfs/dbraw/zinc/90/10/17/1101901017.db2.gz WIHIICQJGUZFQK-UHFFFAOYSA-N 0 0 349.318 2.579 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@H](O)Cc2ccccc2F)s1 ZINC001655856868 1101902446 /nfs/dbraw/zinc/90/24/46/1101902446.db2.gz XNGYHZSWHOBIKQ-SNVBAGLBSA-N 0 0 348.359 2.754 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC4(CCC4)CO3)c2c1 ZINC001655862329 1101902867 /nfs/dbraw/zinc/90/28/67/1101902867.db2.gz SNSPHSFEAUHUIC-ZDUSSCGKSA-N 0 0 343.383 2.945 10 5 EFBERN CC(C)c1nccn1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC001655872746 1101904127 /nfs/dbraw/zinc/90/41/27/1101904127.db2.gz SDGHPVYBSWPMKE-UHFFFAOYSA-N 0 0 325.372 2.997 10 5 EFBERN C[C@@](O)(CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(F)c1 ZINC001655872242 1101904526 /nfs/dbraw/zinc/90/45/26/1101904526.db2.gz HBCFILQSSSQPSI-QGZVFWFLSA-N 0 0 342.330 2.997 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H](CO)c2ccccc2C(F)(F)F)nc1 ZINC001655884655 1101906258 /nfs/dbraw/zinc/90/62/58/1101906258.db2.gz VZGUTFFIDADZBT-NSHDSACASA-N 0 0 328.250 2.549 10 5 EFBERN Cc1ccc(NCCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])nc1 ZINC001655881376 1101906921 /nfs/dbraw/zinc/90/69/21/1101906921.db2.gz LTWVJGUYNXJCGS-UHFFFAOYSA-N 0 0 341.346 2.931 10 5 EFBERN COc1ccc(CNC(=O)c2ncccc2SC)cc1[N+](=O)[O-] ZINC001125320491 1101908416 /nfs/dbraw/zinc/90/84/16/1101908416.db2.gz SYKRGJOIDYHNRE-UHFFFAOYSA-N 0 0 333.369 2.650 10 5 EFBERN COC(=O)[C@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC001626306312 1101911094 /nfs/dbraw/zinc/91/10/94/1101911094.db2.gz XAKYSIJFZOFFHF-SNVBAGLBSA-N 0 0 343.339 2.706 10 5 EFBERN CCc1nn(C)c(NC[C@@H](CC2CCCC2)C(=O)OC)c1[N+](=O)[O-] ZINC001655935104 1101911945 /nfs/dbraw/zinc/91/19/45/1101911945.db2.gz NVRXZJQRIJSYDZ-GFCCVEGCSA-N 0 0 338.408 2.672 10 5 EFBERN COC(=O)C[C@H](Cc1ccccc1)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC001655927038 1101912656 /nfs/dbraw/zinc/91/26/56/1101912656.db2.gz GUIGGWOOERKAEG-AWEZNQCLSA-N 0 0 329.356 2.885 10 5 EFBERN Cn1c(=O)c(COc2ccc([N+](=O)[O-])cc2C=O)cc2ccccc21 ZINC001656040161 1101929127 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O=[N+]([O-])c1ccc(CS(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC001656381841 1102045526 /nfs/dbraw/zinc/04/55/26/1102045526.db2.gz JROHSIOYEAVQDQ-UHFFFAOYSA-N 0 0 328.327 2.538 10 5 EFBERN COC(=O)c1cc(C(=O)COc2ccc(C)c([N+](=O)[O-])c2)c(C)[nH]1 ZINC001656388825 1102047094 /nfs/dbraw/zinc/04/70/94/1102047094.db2.gz ADDCSGKOUKPFHG-UHFFFAOYSA-N 0 0 332.312 2.588 10 5 EFBERN COc1cnc([C@@H]2CCCN2Cc2cc(F)ccc2[N+](=O)[O-])[nH]c1=O ZINC001656410876 1102054485 /nfs/dbraw/zinc/05/44/85/1102054485.db2.gz JRZJSXFSCDPHFN-ZDUSSCGKSA-N 0 0 348.334 2.575 10 5 EFBERN COCCN(CCC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001656431589 1102073890 /nfs/dbraw/zinc/07/38/90/1102073890.db2.gz CMMVRVAWFPDHDL-UHFFFAOYSA-N 0 0 338.404 2.775 10 5 EFBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCc1cscn1 ZINC001656440701 1102081899 /nfs/dbraw/zinc/08/18/99/1102081899.db2.gz YCLOUHCCFXNSOF-UHFFFAOYSA-N 0 0 348.409 2.633 10 5 EFBERN CC(C)(C)c1ccc(OCC(=O)OCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000748108725 1102085578 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295727988 /nfs/dbraw/zinc/72/79/88/295727988.db2.gz DLRSONBOPUZMJQ-CYBMUJFWSA-N 0 0 331.303 2.773 10 5 EFBERN Cn1c(C(=O)N2CC3(CCOCC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC000360494141 282567772 /nfs/dbraw/zinc/56/77/72/282567772.db2.gz BYYQKBAFXZXWNX-UHFFFAOYSA-N 0 0 341.367 2.642 10 5 EFBERN COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1C ZINC000184352499 290918882 /nfs/dbraw/zinc/91/88/82/290918882.db2.gz HUKNTWSNMWMLCL-OAHLLOKOSA-N 0 0 345.355 2.579 10 5 EFBERN C[C@H](NC(=O)N[C@H]([C@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000458628928 299182508 /nfs/dbraw/zinc/18/25/08/299182508.db2.gz XZNPYVACGDYZKU-CXMBCZLWSA-N 0 0 347.415 2.752 10 5 EFBERN Cc1nc(C)c(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)o1 ZINC000353715889 146543971 /nfs/dbraw/zinc/54/39/71/146543971.db2.gz LONOZNHCVFKRIF-UHFFFAOYSA-N 0 0 330.344 2.704 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCCOC1 ZINC000181784924 234321848 /nfs/dbraw/zinc/32/18/48/234321848.db2.gz CIWKAKASWJPBIG-SECBINFHSA-N 0 0 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Nc1nc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)ncc1[N+](=O)[O-] ZINC000365037364 283272975 /nfs/dbraw/zinc/27/29/75/283272975.db2.gz HOXIDTOPHLQBSG-GFCCVEGCSA-N 0 0 343.391 2.598 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CCO[C@@]4(CCOC4)C3)o2)c1 ZINC000187546286 236242217 /nfs/dbraw/zinc/24/22/17/236242217.db2.gz YMAJUGSTKWKWGJ-SFHVURJKSA-N 0 0 344.367 2.846 10 5 EFBERN Cc1sc(C(=O)NCC[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000187548189 236242944 /nfs/dbraw/zinc/24/29/44/236242944.db2.gz DPSASZFXAUYEAJ-MRXNPFEDSA-N 0 0 334.397 2.992 10 5 EFBERN CO[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@H]1C ZINC000187921051 236341411 /nfs/dbraw/zinc/34/14/11/236341411.db2.gz MLIKKKXMNDHXIM-BZNIZROVSA-N 0 0 331.372 2.502 10 5 EFBERN CCN([C@@H](C)C(F)(F)F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000360361650 535400246 /nfs/dbraw/zinc/40/02/46/535400246.db2.gz MMXCNVMAZQWUIE-VIFPVBQESA-N 0 0 340.323 2.697 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000032405667 202224171 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O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 ZINC000040510744 202445826 /nfs/dbraw/zinc/44/58/26/202445826.db2.gz CVSWKHOODLRGCH-RKDXNWHRSA-N 0 0 336.266 2.808 10 5 EFBERN CC(=O)c1ccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040609108 202454253 /nfs/dbraw/zinc/45/42/53/202454253.db2.gz YUOBQCQZPXFUKO-UHFFFAOYSA-N 0 0 327.344 2.931 10 5 EFBERN Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)c2cc(F)ccc21 ZINC000041056177 202471888 /nfs/dbraw/zinc/47/18/88/202471888.db2.gz ZMJHWEUQDQSLGX-UHFFFAOYSA-N 0 0 341.298 2.838 10 5 EFBERN COC(=O)c1ccccc1N(C)c1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040597781 202454921 /nfs/dbraw/zinc/45/49/21/202454921.db2.gz AYXUZVOASQPUCR-UHFFFAOYSA-N 0 0 345.359 2.760 10 5 EFBERN Cc1cc(C)n(-c2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])n1 ZINC000040586269 202455139 /nfs/dbraw/zinc/45/51/39/202455139.db2.gz BIJDUEABQFMRCF-UHFFFAOYSA-N 0 0 336.355 2.882 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290137729 294008425 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Cc1cc(C[C@@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000158502239 239012905 /nfs/dbraw/zinc/01/29/05/239012905.db2.gz DGUGJEFTOXPOGF-LLVKDONJSA-N 0 0 345.403 2.792 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000173362001 239188048 /nfs/dbraw/zinc/18/80/48/239188048.db2.gz RCABOWXSPOMDIO-RYUDHWBXSA-N 0 0 342.417 2.803 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000297741595 201353767 /nfs/dbraw/zinc/35/37/67/201353767.db2.gz NGXAQKLGVULWCP-LLVKDONJSA-N 0 0 343.177 2.655 10 5 EFBERN CC(C)CC[C@@](C)(O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000097596938 201385860 /nfs/dbraw/zinc/38/58/60/201385860.db2.gz IBOFZXBTWODALM-OAHLLOKOSA-N 0 0 344.433 2.597 10 5 EFBERN COC(=O)/C=C\c1ccc(NCC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000097315706 201386012 /nfs/dbraw/zinc/38/60/12/201386012.db2.gz NLPVDMLAFPMLTQ-FHMRSRPSSA-N 0 0 348.277 2.506 10 5 EFBERN Cc1ccc(CN(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)o1 ZINC000154243310 201395838 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CCS[C@H]1CCCC[C@H]1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191657355 240001337 /nfs/dbraw/zinc/00/13/37/240001337.db2.gz GTWUCHGXOWNKRL-PWSUYJOCSA-N 0 0 326.422 2.605 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(OC(C)C)c2)n1 ZINC000191688188 240002260 /nfs/dbraw/zinc/00/22/60/240002260.db2.gz CBLDFSVTBDTVJS-UHFFFAOYSA-N 0 0 346.387 2.871 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCOc3c(F)cccc32)n1 ZINC000191702849 240002796 /nfs/dbraw/zinc/00/27/96/240002796.db2.gz KESRIZXFMFXFJM-GFCCVEGCSA-N 0 0 348.334 2.594 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000191719964 240002885 /nfs/dbraw/zinc/00/28/85/240002885.db2.gz VZQLOARIGOXDEB-LSDHHAIUSA-N 0 0 342.399 2.952 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-n2nccc2C)n1 ZINC000191706764 240003007 /nfs/dbraw/zinc/00/30/07/240003007.db2.gz PWSMEXHCOPATKG-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN CCCOc1ccc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])c(C)c1 ZINC000191722457 240003606 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COc1cccc(C(=O)Nc2cc(C3CC3)nc(C)n2)c1[N+](=O)[O-] ZINC000194723756 240173169 /nfs/dbraw/zinc/17/31/69/240173169.db2.gz SNPOTWWPCJYJAQ-UHFFFAOYSA-N 0 0 328.328 2.832 10 5 EFBERN Cc1csc([C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000193750312 240295415 /nfs/dbraw/zinc/29/54/15/240295415.db2.gz HXRAYZBWOJRRFZ-CYBMUJFWSA-N 0 0 348.384 2.965 10 5 EFBERN CC1(C)[C@H](O)C[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277991581 240795325 /nfs/dbraw/zinc/79/53/25/240795325.db2.gz GWPCEKSRIBAZDJ-HZPDHXFCSA-N 0 0 336.391 2.983 10 5 EFBERN O=C(NCCN1CC=CCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000357622925 242102838 /nfs/dbraw/zinc/10/28/38/242102838.db2.gz SGLIULTUMTVWMP-UHFFFAOYSA-N 0 0 347.418 2.673 10 5 EFBERN C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000356260287 296104342 /nfs/dbraw/zinc/10/43/42/296104342.db2.gz VNXXXPKOFLPCSE-PXAZEXFGSA-N 0 0 343.383 2.722 10 5 EFBERN C[C@@H](NC(=O)c1ccccc1-n1ccnn1)c1ccccc1[N+](=O)[O-] ZINC000342662614 296106110 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CCCCNC(=O)c1ccc(SCC(=O)OCC)c([N+](=O)[O-])c1 ZINC000003020004 201554609 /nfs/dbraw/zinc/55/46/09/201554609.db2.gz FTZUFXFTWYUREV-UHFFFAOYSA-N 0 0 340.401 2.780 10 5 EFBERN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000003055066 201556157 /nfs/dbraw/zinc/55/61/57/201556157.db2.gz ACFRYNDMZKBPJZ-UHFFFAOYSA-N 0 0 346.324 2.630 10 5 EFBERN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC1CCCCC1 ZINC000003237356 201561363 /nfs/dbraw/zinc/56/13/63/201561363.db2.gz JWEOGBQQDNHWJR-UHFFFAOYSA-N 0 0 340.763 2.854 10 5 EFBERN CC(=O)c1ccc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)cc1 ZINC000003896251 201582955 /nfs/dbraw/zinc/58/29/55/201582955.db2.gz UEKZETQVIKIXKE-UHFFFAOYSA-N 0 0 330.344 2.721 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000411466287 242846104 /nfs/dbraw/zinc/84/61/04/242846104.db2.gz QUXHYMCQMIUOPQ-CYBMUJFWSA-N 0 0 345.399 2.941 10 5 EFBERN O=C1OC(c2ccccc2F)=NC1=CNc1ccccc1[N+](=O)[O-] ZINC000004421101 201600707 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O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@H](C2CCC2)C1 ZINC000412445150 243317311 /nfs/dbraw/zinc/31/73/11/243317311.db2.gz MDDADVMPVBDYIC-INIZCTEOSA-N 0 0 330.340 2.982 10 5 EFBERN C[C@H](C(=O)N1CCO[C@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000412454581 243324854 /nfs/dbraw/zinc/32/48/54/243324854.db2.gz GFBMFPGDSUDNTB-ZBEGNZNMSA-N 0 0 336.363 2.865 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@@H](C2CCC2)C1 ZINC000412459645 243327116 /nfs/dbraw/zinc/32/71/16/243327116.db2.gz LZTCNPMPBXWJRN-MRXNPFEDSA-N 0 0 341.367 2.784 10 5 EFBERN COCC[C@@H](C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000412490785 243337084 /nfs/dbraw/zinc/33/70/84/243337084.db2.gz VZJZCTCYMYXBSW-SECBINFHSA-N 0 0 332.303 2.599 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412666835 243376108 /nfs/dbraw/zinc/37/61/08/243376108.db2.gz GZOIZYORLHBYQP-CYBMUJFWSA-N 0 0 326.356 2.728 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412667562 243376145 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2.615 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCc2c(cnn2C)C1 ZINC000413866130 243892117 /nfs/dbraw/zinc/89/21/17/243892117.db2.gz FLVKXLMDCDDDCR-UHFFFAOYSA-N 0 0 348.790 2.879 10 5 EFBERN CCCS(=O)(=O)[C@@H](C)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000070005845 203069426 /nfs/dbraw/zinc/06/94/26/203069426.db2.gz KMKJNBXMXHLWPC-VIFPVBQESA-N 0 0 349.792 2.505 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(C[C@@H](O)COc2ccccc2C(C)C)c1=O ZINC000414132234 244016962 /nfs/dbraw/zinc/01/69/62/244016962.db2.gz ACBDVNDEZCBLPO-OAHLLOKOSA-N 0 0 346.383 2.628 10 5 EFBERN Cc1c(NC(=O)[C@H]2CCCN2c2nccs2)cccc1[N+](=O)[O-] ZINC000071802061 203115188 /nfs/dbraw/zinc/11/51/88/203115188.db2.gz VSSIESQSUJHPCY-CYBMUJFWSA-N 0 0 332.385 2.967 10 5 EFBERN Cc1nn(C)c(C)c1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000071799853 203115718 /nfs/dbraw/zinc/11/57/18/203115718.db2.gz QWFDIMYFGCAXQL-LLVKDONJSA-N 0 0 342.399 2.856 10 5 EFBERN CCOC(=O)c1cnn(Cc2cccc([N+](=O)[O-])c2)c1C(F)F ZINC000071804123 203116041 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CCN(c1cccnc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000435644520 249392582 /nfs/dbraw/zinc/39/25/82/249392582.db2.gz IFZKMRQKSOIYMU-UHFFFAOYSA-N 0 0 335.385 2.822 10 5 EFBERN COC(=O)c1ccccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435643931 249393110 /nfs/dbraw/zinc/39/31/10/249393110.db2.gz FXZYAFHUNUXCTN-UHFFFAOYSA-N 0 0 330.296 2.642 10 5 EFBERN COc1cccc(C(=O)Nc2ccccc2N(C)C(C)=O)c1[N+](=O)[O-] ZINC000435875207 249432089 /nfs/dbraw/zinc/43/20/89/249432089.db2.gz QYNDUFXWTGGEAU-UHFFFAOYSA-N 0 0 343.339 2.838 10 5 EFBERN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccc(F)cc1 ZINC000436206830 249484583 /nfs/dbraw/zinc/48/45/83/249484583.db2.gz GVFKFMLHEBEVKD-JTQLQIEISA-N 0 0 332.335 2.685 10 5 EFBERN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000437117308 249648365 /nfs/dbraw/zinc/64/83/65/249648365.db2.gz SNFMKOOPPYDEBT-HNNXBMFYSA-N 0 0 348.378 2.656 10 5 EFBERN CCOC(=O)CN(CC(C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171206226 206672469 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CC1(C)CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000442755225 250112239 /nfs/dbraw/zinc/11/22/39/250112239.db2.gz YNNWWDHMOQYJEA-CYBMUJFWSA-N 0 0 326.418 2.983 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000442658255 250097250 /nfs/dbraw/zinc/09/72/50/250097250.db2.gz UHSJWCMDWBQHDB-JTQLQIEISA-N 0 0 347.375 2.836 10 5 EFBERN CN(CCCO)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000442994100 250149153 /nfs/dbraw/zinc/14/91/53/250149153.db2.gz PKPZONBDZWKOBK-UHFFFAOYSA-N 0 0 343.383 2.661 10 5 EFBERN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000442926778 250141184 /nfs/dbraw/zinc/14/11/84/250141184.db2.gz XGBMCTAIWBINKN-UHFFFAOYSA-N 0 0 331.206 2.779 10 5 EFBERN CCc1n[nH]c(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000443947272 250239743 /nfs/dbraw/zinc/23/97/43/250239743.db2.gz KOUQRPBKCDQJLG-MRVPVSSYSA-N 0 0 338.314 2.992 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000443780584 250223690 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O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc2ncccc21 ZINC000444642357 250322485 /nfs/dbraw/zinc/32/24/85/250322485.db2.gz WQMYBTOQIGFUKJ-UHFFFAOYSA-N 0 0 347.334 2.949 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@]4(CCCOC4)C3)nc2c1 ZINC000444653518 250324111 /nfs/dbraw/zinc/32/41/11/250324111.db2.gz UWTJECPOKFACID-KRWDZBQOSA-N 0 0 330.388 2.864 10 5 EFBERN CC(C)C(=O)Nc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444827115 250353240 /nfs/dbraw/zinc/35/32/40/250353240.db2.gz NZBKCVTXUROQSP-UHFFFAOYSA-N 0 0 344.327 2.542 10 5 EFBERN C[C@H](c1c(F)cccc1F)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444862092 250359747 /nfs/dbraw/zinc/35/97/47/250359747.db2.gz VGVOJRXHYRZEJU-MRVPVSSYSA-N 0 0 337.282 2.807 10 5 EFBERN Cc1cc(C)cc(CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000444715321 250333768 /nfs/dbraw/zinc/33/37/68/250333768.db2.gz MIPPYLIXNJOFNB-UHFFFAOYSA-N 0 0 327.384 2.943 10 5 EFBERN CC(C)(C)c1cccc2c1OCCN2CCn1cc([N+](=O)[O-])cn1 ZINC000444735462 250337801 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Cc1cc(Br)c(=O)n(Cc2csc([N+](=O)[O-])c2)c1 ZINC000447422146 250562724 /nfs/dbraw/zinc/56/27/24/250562724.db2.gz KCAPQGMWZSYTDK-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@@H](Cc4ccccc4)C3)nc2c1 ZINC000447670593 250591915 /nfs/dbraw/zinc/59/19/15/250591915.db2.gz NGYKMSCBEKPSGM-HNNXBMFYSA-N 0 0 338.367 2.919 10 5 EFBERN Cn1c(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)ccc1[N+](=O)[O-] ZINC000447717121 250598591 /nfs/dbraw/zinc/59/85/91/250598591.db2.gz UJLHUEOZIVNWGE-LBPRGKRZSA-N 0 0 345.252 2.948 10 5 EFBERN COc1ccc(C(=O)CSc2ccc([N+](=O)[O-])cn2)cc1OC ZINC000448096544 250664702 /nfs/dbraw/zinc/66/47/02/250664702.db2.gz HSROBRMSVVVSKX-UHFFFAOYSA-N 0 0 334.353 2.982 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000353934531 146592167 /nfs/dbraw/zinc/59/21/67/146592167.db2.gz YRJKBZOHXSXAGJ-UHFFFAOYSA-N 0 0 336.392 2.536 10 5 EFBERN CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000007708136 210835695 /nfs/dbraw/zinc/83/56/95/210835695.db2.gz NPHOPVNBAVRHGP-UHFFFAOYSA-N 0 0 336.369 2.819 10 5 EFBERN CCc1nc(C2(NCCOc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000174237180 207000565 /nfs/dbraw/zinc/00/05/65/207000565.db2.gz MHDFAJKLTMXABH-UHFFFAOYSA-N 0 0 346.387 2.978 10 5 EFBERN CCc1nc(C2(NCCOc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000174235093 207001231 /nfs/dbraw/zinc/00/12/31/207001231.db2.gz RNGIIUMQUIUDJJ-UHFFFAOYSA-N 0 0 346.387 2.978 10 5 EFBERN CCc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000174186624 206996337 /nfs/dbraw/zinc/99/63/37/206996337.db2.gz PEVFLTJMHCNUFQ-OAHLLOKOSA-N 0 0 328.372 2.868 10 5 EFBERN CCc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000174272847 207005593 /nfs/dbraw/zinc/00/55/93/207005593.db2.gz JRCYPEBEPYCIHX-UHFFFAOYSA-N 0 0 342.399 2.906 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000174433367 207019567 /nfs/dbraw/zinc/01/95/67/207019567.db2.gz VLUAOWRZKLDRCD-QMTHXVAHSA-N 0 0 346.362 2.999 10 5 EFBERN 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O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@](O)(C(F)(F)F)C1 ZINC000450352381 251356961 /nfs/dbraw/zinc/35/69/61/251356961.db2.gz VQEXKEDOXLZOFX-ZDUSSCGKSA-N 0 0 327.262 2.647 10 5 EFBERN CO[C@@H](C)c1noc(CN(C)c2nccc3c2cccc3[N+](=O)[O-])n1 ZINC000450362192 251360684 /nfs/dbraw/zinc/36/06/84/251360684.db2.gz FJQRGAXGZZDDFH-JTQLQIEISA-N 0 0 343.343 2.870 10 5 EFBERN CC[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(C)nn(C)c1C ZINC000450364279 251362538 /nfs/dbraw/zinc/36/25/38/251362538.db2.gz XTFDHPSLHLLCFI-GFCCVEGCSA-N 0 0 328.376 2.807 10 5 EFBERN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450376975 251365214 /nfs/dbraw/zinc/36/52/14/251365214.db2.gz ICVWMMBBKMIMRU-LBPRGKRZSA-N 0 0 344.371 2.509 10 5 EFBERN CC[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000176694670 207252161 /nfs/dbraw/zinc/25/21/61/207252161.db2.gz DSEZGDPWFVTYMH-OAHLLOKOSA-N 0 0 331.376 2.621 10 5 EFBERN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)c(F)cc1F ZINC000013015793 207274493 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2.661 10 5 EFBERN CC(=O)N1CCC[C@@H](C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176947094 207278159 /nfs/dbraw/zinc/27/81/59/207278159.db2.gz DRGBFTCHCPDDGN-IUODEOHRSA-N 0 0 334.372 2.766 10 5 EFBERN COc1cc(N[C@@H]2CCc3nnc(C(C)C)n3C2)c([N+](=O)[O-])cc1F ZINC000176964524 207279049 /nfs/dbraw/zinc/27/90/49/207279049.db2.gz DFJMFRBTYXOSGX-SNVBAGLBSA-N 0 0 349.366 2.884 10 5 EFBERN CC(C)c1ccc([C@@H](C)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000176993547 207280667 /nfs/dbraw/zinc/28/06/67/207280667.db2.gz PTGBZEXGVSNCKA-CYBMUJFWSA-N 0 0 343.383 2.757 10 5 EFBERN Cc1ccncc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000451362610 251539043 /nfs/dbraw/zinc/53/90/43/251539043.db2.gz QVJLTSRBVXINKX-UHFFFAOYSA-N 0 0 347.396 2.652 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000177126747 207296934 /nfs/dbraw/zinc/29/69/34/207296934.db2.gz DWEYOJJDHPJLBC-NSHDSACASA-N 0 0 345.321 2.612 10 5 EFBERN COc1cc(NCCC(=O)N2CCCCC2)c([N+](=O)[O-])cc1F ZINC000268122724 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JHZHDJXPQPVZBC-CQSZACIVSA-N 0 0 342.399 2.882 10 5 EFBERN COCc1nc2n(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1Cl ZINC000268383056 251871292 /nfs/dbraw/zinc/87/12/92/251871292.db2.gz KBFFFETVBVQBJK-LBPRGKRZSA-N 0 0 337.767 2.933 10 5 EFBERN Cn1c(C(=O)N2CCc3c(Cl)cc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000452314621 251847857 /nfs/dbraw/zinc/84/78/57/251847857.db2.gz SNFOJCGTJHOLAV-UHFFFAOYSA-N 0 0 337.738 2.924 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC)[C@H](O)C(F)F ZINC000452483873 251892956 /nfs/dbraw/zinc/89/29/56/251892956.db2.gz SQLUXOKGQMGWDX-XBFCOCLRSA-N 0 0 344.358 2.684 10 5 EFBERN CC[C@@H](CNc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000452468615 251888773 /nfs/dbraw/zinc/88/87/73/251888773.db2.gz LIBZPKZTPQPFDD-ZDUSSCGKSA-N 0 0 328.372 2.919 10 5 EFBERN O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452921719 252005970 /nfs/dbraw/zinc/00/59/70/252005970.db2.gz JDJYJOMYAOTKTL-NVXWUHKLSA-N 0 0 343.383 2.603 10 5 EFBERN O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452921720 252006201 /nfs/dbraw/zinc/00/62/01/252006201.db2.gz JDJYJOMYAOTKTL-RDJZCZTQSA-N 0 0 343.383 2.603 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cnn1 ZINC000452832900 251981750 /nfs/dbraw/zinc/98/17/50/251981750.db2.gz ATLWJRBDRRTAOD-CQSZACIVSA-N 0 0 326.356 2.713 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000452913367 252004395 /nfs/dbraw/zinc/00/43/95/252004395.db2.gz YOHUQXNVMKFNLB-PBHICJAKSA-N 0 0 349.431 2.964 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3cc(C)ccc3F)no2)n1 ZINC000453292630 252028858 /nfs/dbraw/zinc/02/88/58/252028858.db2.gz OMHIRQDFNYXBMY-UHFFFAOYSA-N 0 0 331.307 2.900 10 5 EFBERN Cc1c(-c2nc(C3(C)CC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000453325795 252034624 /nfs/dbraw/zinc/03/46/24/252034624.db2.gz SDURSIROBJAWJS-UHFFFAOYSA-N 0 0 326.316 2.585 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000268688227 252140462 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335.404 2.845 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000268761933 252211279 /nfs/dbraw/zinc/21/12/79/252211279.db2.gz WVZSASFOEGBECR-CQSZACIVSA-N 0 0 334.372 2.850 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000177876461 207410866 /nfs/dbraw/zinc/41/08/66/207410866.db2.gz GZQFRYFXYPRRDS-GXTWGEPZSA-N 0 0 328.372 2.855 10 5 EFBERN CC(C)[C@H]1C[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000454354530 252230022 /nfs/dbraw/zinc/23/00/22/252230022.db2.gz DQWZOISFGOTAHT-NVXWUHKLSA-N 0 0 349.431 2.888 10 5 EFBERN CC[C@H](NC(=O)c1csc(NC(C)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000177787247 207398202 /nfs/dbraw/zinc/39/82/02/207398202.db2.gz NKWNIANXOAMSGF-LBPRGKRZSA-N 0 0 348.384 2.891 10 5 EFBERN O=C(NCCCC1CCOCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000454356192 252232224 /nfs/dbraw/zinc/23/22/24/252232224.db2.gz GUDLVCNMXYKTJE-UHFFFAOYSA-N 0 0 335.404 2.643 10 5 EFBERN COc1cccc([C@H]2CN(c3ncc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000268802937 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2.895 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCO[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000185193298 285113676 /nfs/dbraw/zinc/11/36/76/285113676.db2.gz MIORNYMZVCPBED-AWEZNQCLSA-N 0 0 346.305 2.605 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3ccccc3F)cc2N1 ZINC000097221897 218998641 /nfs/dbraw/zinc/99/86/41/218998641.db2.gz TZEMTWPGTFKTBE-UHFFFAOYSA-N 0 0 331.303 2.719 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000458958447 255801213 /nfs/dbraw/zinc/80/12/13/255801213.db2.gz SZLQINSCTZNPRO-OAHLLOKOSA-N 0 0 333.388 2.836 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000189583337 533149000 /nfs/dbraw/zinc/14/90/00/533149000.db2.gz LRCCIDFTZWLNFA-JTQLQIEISA-N 0 0 340.339 2.971 10 5 EFBERN O=c1[nH]c2ccccc2c(=O)n1CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349645623 285211291 /nfs/dbraw/zinc/21/12/91/285211291.db2.gz OYSFTZRMERZKQW-UHFFFAOYSA-N 0 0 345.742 2.906 10 5 EFBERN CCc1ncc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000459049444 255814812 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EFBERN Cc1cc(OCC(=O)N2CCOCC23CCCCC3)ccc1[N+](=O)[O-] ZINC000456522896 255646178 /nfs/dbraw/zinc/64/61/78/255646178.db2.gz NDJBZDLQYHKCJS-UHFFFAOYSA-N 0 0 348.399 2.844 10 5 EFBERN CO[C@@H]([C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000456565957 255648433 /nfs/dbraw/zinc/64/84/33/255648433.db2.gz NSDCAROYRFMLCO-OQPBUACISA-N 0 0 344.314 2.740 10 5 EFBERN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000456749490 255659107 /nfs/dbraw/zinc/65/91/07/255659107.db2.gz URYRRCWOWPDBNJ-NSHDSACASA-N 0 0 345.321 2.551 10 5 EFBERN CC(C)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)nc1 ZINC000456788383 255660685 /nfs/dbraw/zinc/66/06/85/255660685.db2.gz SECSDIOOZBEIMK-UHFFFAOYSA-N 0 0 329.360 2.808 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000456881973 255665017 /nfs/dbraw/zinc/66/50/17/255665017.db2.gz OIXZUWQRORUDNQ-LRDDRELGSA-N 0 0 326.356 2.556 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160116909 533219199 /nfs/dbraw/zinc/21/91/99/533219199.db2.gz FRZGDFSJQVDNEV-UHFFFAOYSA-N 0 0 328.328 2.832 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1(CF)CCOCC1 ZINC000459989311 255948161 /nfs/dbraw/zinc/94/81/61/255948161.db2.gz KIWRMZMNEGFIBQ-UHFFFAOYSA-N 0 0 348.277 2.901 10 5 EFBERN COc1cc(CC2CN(c3ncc(C)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000467795963 256012983 /nfs/dbraw/zinc/01/29/83/256012983.db2.gz DWHMNMRARULMSU-UHFFFAOYSA-N 0 0 343.383 2.994 10 5 EFBERN CO[C@@H](C)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000468269649 256014885 /nfs/dbraw/zinc/01/48/85/256014885.db2.gz ZKLSEJTWUIJHTN-LPEHRKFASA-N 0 0 330.768 2.555 10 5 EFBERN CO[C@@H](C)[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000188359677 533352156 /nfs/dbraw/zinc/35/21/56/533352156.db2.gz PHPBRMBFERUGQP-UWVGGRQHSA-N 0 0 330.768 2.557 10 5 EFBERN COC(=O)CCCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172505066 533366692 /nfs/dbraw/zinc/36/66/92/533366692.db2.gz PNLAHQYXOIDSLO-UHFFFAOYSA-N 0 0 328.752 2.711 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(C2CC2)o1 ZINC000193995192 533404944 /nfs/dbraw/zinc/40/49/44/533404944.db2.gz GTHIJJKQUXDQPL-CSKARUKUSA-N 0 0 328.328 2.575 10 5 EFBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000363800533 533405721 /nfs/dbraw/zinc/40/57/21/533405721.db2.gz NLLFNDGPEFGDMW-ZRDIBKRKSA-N 0 0 341.371 2.522 10 5 EFBERN COCc1cnc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000344569415 285504689 /nfs/dbraw/zinc/50/46/89/285504689.db2.gz PPEKSAUHNKDYIU-UHFFFAOYSA-N 0 0 343.311 2.657 10 5 EFBERN CC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000005689485 135672245 /nfs/dbraw/zinc/67/22/45/135672245.db2.gz DSCPEROGPCHOFN-UHFFFAOYSA-N 0 0 326.356 2.519 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCOCC1 ZINC000015504973 135707712 /nfs/dbraw/zinc/70/77/12/135707712.db2.gz PVMUVGCFZMDKOF-UHFFFAOYSA-N 0 0 341.367 2.613 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@](O)(C(F)(F)F)C1 ZINC000434951755 296500356 /nfs/dbraw/zinc/50/03/56/296500356.db2.gz PHQUWJPWGYAGQU-SNVBAGLBSA-N 0 0 325.674 2.537 10 5 EFBERN CCc1nc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000107738883 141358149 /nfs/dbraw/zinc/35/81/49/141358149.db2.gz JBGKXBXVYVHJNR-UHFFFAOYSA-N 0 0 334.401 2.656 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119579728 141362651 /nfs/dbraw/zinc/36/26/51/141362651.db2.gz CGPAOKCQTMZMRG-SGTLLEGYSA-N 0 0 343.383 2.843 10 5 EFBERN COc1cccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000128537277 141369442 /nfs/dbraw/zinc/36/94/42/141369442.db2.gz NGZMRGQYCADYAH-UHFFFAOYSA-N 0 0 342.355 2.503 10 5 EFBERN NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182959224 141377858 /nfs/dbraw/zinc/37/78/58/141377858.db2.gz RICRMJDNOIEFHE-MRXNPFEDSA-N 0 0 345.786 2.660 10 5 EFBERN COc1ccc(NC(=O)CN2CCCC[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000337501634 141604345 /nfs/dbraw/zinc/60/43/45/141604345.db2.gz BQOBVZJZCNKWOI-LBPRGKRZSA-N 0 0 343.330 2.662 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000338768169 141674380 /nfs/dbraw/zinc/67/43/80/141674380.db2.gz RACHDSGZYUAIDI-CHWSQXEVSA-N 0 0 327.340 2.992 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1n1cccn1 ZINC000338836631 141683714 /nfs/dbraw/zinc/68/37/14/141683714.db2.gz BEXOIMQKKTVLNZ-WQVCFCJDSA-N 0 0 332.360 2.631 10 5 EFBERN COc1ccc(C)cc1[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354358133 146693133 /nfs/dbraw/zinc/69/31/33/146693133.db2.gz PXWCMEVJGWSPBH-NSHDSACASA-N 0 0 329.356 2.985 10 5 EFBERN Cc1cc(C(=O)Nc2ccc3c(c2F)CCNC3=O)ccc1[N+](=O)[O-] ZINC000341829739 141874536 /nfs/dbraw/zinc/87/45/36/141874536.db2.gz CALLFLOHJVPUFF-UHFFFAOYSA-N 0 0 343.314 2.581 10 5 EFBERN Cc1csc([C@@H](C)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)n1 ZINC000342059166 141912076 /nfs/dbraw/zinc/91/20/76/141912076.db2.gz HVLUEQREAAOKQS-MRVPVSSYSA-N 0 0 331.357 2.604 10 5 EFBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000342972702 141915002 /nfs/dbraw/zinc/91/50/02/141915002.db2.gz NYZCEOMNRLQKPM-MRXNPFEDSA-N 0 0 342.351 2.840 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)NCc2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000343127272 141940824 /nfs/dbraw/zinc/94/08/24/141940824.db2.gz UZMDCPZXYXFMPN-SNVBAGLBSA-N 0 0 345.359 2.724 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCC(CC(F)(F)F)CC3)nn21 ZINC000343151855 141945882 /nfs/dbraw/zinc/94/58/82/141945882.db2.gz CIGSGSWKFJPGLZ-UHFFFAOYSA-N 0 0 329.282 2.806 10 5 EFBERN NC(=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000343286107 141967695 /nfs/dbraw/zinc/96/76/95/141967695.db2.gz IASAGLHGFXOPFE-IUCAKERBSA-N 0 0 342.193 2.813 10 5 EFBERN Cc1cc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)ccc1F ZINC000343318488 141973294 /nfs/dbraw/zinc/97/32/94/141973294.db2.gz JFAZGBLLWPZNGL-CQSZACIVSA-N 0 0 333.319 2.584 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000343350451 141979173 /nfs/dbraw/zinc/97/91/73/141979173.db2.gz GDFISRZCFNPYNK-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOC[C@H]1CC(F)F ZINC000343411232 141992567 /nfs/dbraw/zinc/99/25/67/141992567.db2.gz KKHGBZHKAIAXTL-LLVKDONJSA-N 0 0 334.706 2.744 10 5 EFBERN Cc1cnc(N[C@H](C)Cn2ncc3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000343421567 141994867 /nfs/dbraw/zinc/99/48/67/141994867.db2.gz CZQXETQKLWZDLO-GFCCVEGCSA-N 0 0 339.355 2.509 10 5 EFBERN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@H](C)C1 ZINC000343467684 142003773 /nfs/dbraw/zinc/00/37/73/142003773.db2.gz ODZMCUKYVKDBPT-GFCCVEGCSA-N 0 0 335.404 2.829 10 5 EFBERN O=C(c1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344435661 142016456 /nfs/dbraw/zinc/01/64/56/142016456.db2.gz NZGKNWIQQWVGQI-UHFFFAOYSA-N 0 0 326.356 2.707 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC1(CCO)CCCCC1 ZINC000344441798 142017528 /nfs/dbraw/zinc/01/75/28/142017528.db2.gz WKKWUIXXKKNTRP-UHFFFAOYSA-N 0 0 336.388 2.565 10 5 EFBERN Cc1ccc2[nH]c(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000344453418 142019869 /nfs/dbraw/zinc/01/98/69/142019869.db2.gz FONQJPKDBUYMEI-UHFFFAOYSA-N 0 0 326.312 2.797 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000344610153 142048727 /nfs/dbraw/zinc/04/87/27/142048727.db2.gz CPVKOXNEIMMOJA-ZDUSSCGKSA-N 0 0 334.763 2.863 10 5 EFBERN C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000344630629 142052247 /nfs/dbraw/zinc/05/22/47/142052247.db2.gz WQQBSIHZFCJOME-MRXNPFEDSA-N 0 0 344.415 2.926 10 5 EFBERN O=C(NC[C@@H]1CCSC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000344648995 142055173 /nfs/dbraw/zinc/05/51/73/142055173.db2.gz UVUZGSZSDLSBLQ-QMMMGPOBSA-N 0 0 332.328 2.679 10 5 EFBERN Cc1cc(Br)ccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000344686048 142060729 /nfs/dbraw/zinc/06/07/29/142060729.db2.gz DDOPQNCQWYCIOS-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)Cc2cccs2)n1 ZINC000344691336 142061724 /nfs/dbraw/zinc/06/17/24/142061724.db2.gz GVHJVKUVUGDTNN-UHFFFAOYSA-N 0 0 346.368 2.825 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000344717501 142066314 /nfs/dbraw/zinc/06/63/14/142066314.db2.gz RATYAFLTHORHQL-UHFFFAOYSA-N 0 0 336.351 2.848 10 5 EFBERN CSc1ccc(C(=O)NCc2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000344730815 142068725 /nfs/dbraw/zinc/06/87/25/142068725.db2.gz FJVHVSNIMPWLHX-UHFFFAOYSA-N 0 0 334.357 2.507 10 5 EFBERN Cc1c(NC(=O)C(=O)N(C)C[C@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000344743349 142071376 /nfs/dbraw/zinc/07/13/76/142071376.db2.gz DYTMQUVLEGMCCW-ZDUSSCGKSA-N 0 0 331.372 2.656 10 5 EFBERN Cc1oc2ccccc2c1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000344831976 142085073 /nfs/dbraw/zinc/08/50/73/142085073.db2.gz DJHDYSZIJIBTFY-UHFFFAOYSA-N 0 0 340.339 2.599 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3OC)n1 ZINC000344894432 142094050 /nfs/dbraw/zinc/09/40/50/142094050.db2.gz OBLHYWMPRJLONF-ZDUSSCGKSA-N 0 0 346.343 2.534 10 5 EFBERN Nc1c(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000344922022 142097905 /nfs/dbraw/zinc/09/79/05/142097905.db2.gz FSQPKYFAMKVCTM-CYBMUJFWSA-N 0 0 345.330 2.960 10 5 EFBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cncc(F)c1 ZINC000344997419 142109498 /nfs/dbraw/zinc/10/94/98/142109498.db2.gz DNWDPUGLHFKBJU-SECBINFHSA-N 0 0 339.348 2.706 10 5 EFBERN CSCCCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000345009997 142111426 /nfs/dbraw/zinc/11/14/26/142111426.db2.gz ITMFZYOJLCVDAV-UHFFFAOYSA-N 0 0 325.434 2.922 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000345929043 142119154 /nfs/dbraw/zinc/11/91/54/142119154.db2.gz LKPYYAYJAXTYJG-CQSZACIVSA-N 0 0 335.404 2.736 10 5 EFBERN Cc1sccc1CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345936183 142120422 /nfs/dbraw/zinc/12/04/22/142120422.db2.gz NXSHBCXYAVGTTQ-ZDUSSCGKSA-N 0 0 346.412 2.615 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cn2cccn2)no1 ZINC000345980788 142127694 /nfs/dbraw/zinc/12/76/94/142127694.db2.gz FRUMBRROFXLXKI-ZDUSSCGKSA-N 0 0 327.344 2.959 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCCCCSC)cc1OC ZINC000346002206 142131385 /nfs/dbraw/zinc/13/13/85/142131385.db2.gz SQOJKINLDBLXKJ-UHFFFAOYSA-N 0 0 342.417 2.875 10 5 EFBERN Cc1cc(NC(=O)C2CCC(=O)CC2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346052788 142140022 /nfs/dbraw/zinc/14/00/22/142140022.db2.gz FCNRKMDIZWMSRZ-UHFFFAOYSA-N 0 0 342.355 2.787 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2cccnc2OC)no1 ZINC000346091665 142145976 /nfs/dbraw/zinc/14/59/76/142145976.db2.gz YXCITZPQLYPRGR-UHFFFAOYSA-N 0 0 328.284 2.724 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000346132746 142152001 /nfs/dbraw/zinc/15/20/01/142152001.db2.gz ANYYKRWUVBUXNK-UHFFFAOYSA-N 0 0 326.268 2.744 10 5 EFBERN CC[C@H](NC(=O)c1nccn2cc(C)nc12)c1cccc([N+](=O)[O-])c1 ZINC000346195918 142165411 /nfs/dbraw/zinc/16/54/11/142165411.db2.gz WRMQZOOKADTKEK-AWEZNQCLSA-N 0 0 339.355 2.827 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1COc2ccccc21 ZINC000346477104 142209675 /nfs/dbraw/zinc/20/96/75/142209675.db2.gz OZPIOQLBISGILH-JTQLQIEISA-N 0 0 348.305 2.708 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347421258 142213250 /nfs/dbraw/zinc/21/32/50/142213250.db2.gz XPRJTXXMODBXOA-SNVBAGLBSA-N 0 0 340.387 2.931 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3ncnc4cccc([N+](=O)[O-])c43)c2)CN1 ZINC000347425445 142214242 /nfs/dbraw/zinc/21/42/42/142214242.db2.gz DLECPTSFLWDGTL-LBPRGKRZSA-N 0 0 349.350 2.885 10 5 EFBERN Cc1ccccc1[C@H](c1noc(Cn2cnc([N+](=O)[O-])n2)n1)C(C)C ZINC000347427701 142214878 /nfs/dbraw/zinc/21/48/78/142214878.db2.gz XDIIDCFINGUFPA-CQSZACIVSA-N 0 0 342.359 2.714 10 5 EFBERN Cc1sccc1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000347491154 142225185 /nfs/dbraw/zinc/22/51/85/142225185.db2.gz UCKWBXJEPUHULX-UHFFFAOYSA-N 0 0 332.381 2.797 10 5 EFBERN Cc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC000347573170 142237819 /nfs/dbraw/zinc/23/78/19/142237819.db2.gz UCWCKMGSYYALCJ-UHFFFAOYSA-N 0 0 328.372 2.754 10 5 EFBERN COc1ncccc1N(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347574095 142238407 /nfs/dbraw/zinc/23/84/07/142238407.db2.gz PLIWPSBFQXFEMT-SNVBAGLBSA-N 0 0 333.319 2.904 10 5 EFBERN O=C(NCc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000347602236 142242875 /nfs/dbraw/zinc/24/28/75/142242875.db2.gz DHOGHRRLTSXFGW-UHFFFAOYSA-N 0 0 340.383 2.523 10 5 EFBERN COc1cc(CN[C@@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000347691449 142257803 /nfs/dbraw/zinc/25/78/03/142257803.db2.gz ZOCJYYPLKNNSOQ-OWJWWREXSA-N 0 0 348.424 2.813 10 5 EFBERN Nc1ccc(SCCn2cc([N+](=O)[O-])ccc2=O)c(Cl)c1 ZINC000347769525 142269098 /nfs/dbraw/zinc/26/90/98/142269098.db2.gz UBOINGKVVQKEJW-UHFFFAOYSA-N 0 0 325.777 2.784 10 5 EFBERN Cc1cnn(CCCCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347785353 142271793 /nfs/dbraw/zinc/27/17/93/142271793.db2.gz CRYNKBASDOAJAR-UHFFFAOYSA-N 0 0 329.404 2.723 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000347830320 142278389 /nfs/dbraw/zinc/27/83/89/142278389.db2.gz MZDJXIWGXTWRSM-WDEREUQCSA-N 0 0 345.321 2.830 10 5 EFBERN O=C1NCCc2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc21 ZINC000347854677 142282721 /nfs/dbraw/zinc/28/27/21/142282721.db2.gz CTBCDGATDCIRJB-UHFFFAOYSA-N 0 0 332.747 2.541 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000347880597 142286595 /nfs/dbraw/zinc/28/65/95/142286595.db2.gz VCRNXTLZDMNRBK-CQSZACIVSA-N 0 0 345.359 2.852 10 5 EFBERN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(C)n1 ZINC000347895251 142288950 /nfs/dbraw/zinc/28/89/50/142288950.db2.gz DOSJHISEUAXFIL-UHFFFAOYSA-N 0 0 326.356 2.806 10 5 EFBERN Cc1ccccc1OCCCN(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347925904 142294400 /nfs/dbraw/zinc/29/44/00/142294400.db2.gz MSTSEWYTOTZPLK-UHFFFAOYSA-N 0 0 341.371 2.851 10 5 EFBERN CO[C@@H]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349698132 142348685 /nfs/dbraw/zinc/34/86/85/142348685.db2.gz YNAHAUYPJSKPPF-QWHCGFSZSA-N 0 0 341.795 2.657 10 5 EFBERN Cc1ccc(CCC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000349881680 142372379 /nfs/dbraw/zinc/37/23/79/142372379.db2.gz LVRDRJGUXXAEKT-CYBMUJFWSA-N 0 0 344.371 2.537 10 5 EFBERN CCn1c(NC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cccnc21 ZINC000349918087 142378581 /nfs/dbraw/zinc/37/85/81/142378581.db2.gz UCDMXPKYDGPDSR-UHFFFAOYSA-N 0 0 325.328 2.920 10 5 EFBERN CCn1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)nc2cccnc21 ZINC000349952362 142382167 /nfs/dbraw/zinc/38/21/67/142382167.db2.gz OUHGXFQYJNUURI-UHFFFAOYSA-N 0 0 325.328 2.541 10 5 EFBERN CCn1c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])nc2cccnc21 ZINC000349989623 142387801 /nfs/dbraw/zinc/38/78/01/142387801.db2.gz CFUGBUUKCCDDAK-UHFFFAOYSA-N 0 0 341.327 2.620 10 5 EFBERN CO[C@@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000351677587 285730228 /nfs/dbraw/zinc/73/02/28/285730228.db2.gz FUXWTQIFNFBRQX-NXEZZACHSA-N 0 0 332.278 2.911 10 5 EFBERN Cn1cc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000352410184 142482413 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EFBERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000368436836 150117526 /nfs/dbraw/zinc/11/75/26/150117526.db2.gz BNJTUDOUTIJVFG-JTQLQIEISA-N 0 0 328.365 2.687 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1NCc1ccnc(-n3ccnc3)c1)CCN2 ZINC000368674703 150179846 /nfs/dbraw/zinc/17/98/46/150179846.db2.gz BYELVUTWVKFOLR-UHFFFAOYSA-N 0 0 336.355 2.756 10 5 EFBERN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H](O)C4(CC4)C3)cs2)c1 ZINC000368800114 150207476 /nfs/dbraw/zinc/20/74/76/150207476.db2.gz LGSCFYZHDIQFJH-CQSZACIVSA-N 0 0 331.397 2.675 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1[N+](=O)[O-] ZINC000369143075 150284791 /nfs/dbraw/zinc/28/47/91/150284791.db2.gz HTFYOMHHVLWYBY-MPEURRAXSA-N 0 0 332.404 2.921 10 5 EFBERN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000369546002 150382658 /nfs/dbraw/zinc/38/26/58/150382658.db2.gz MCYVPCYRURVIAZ-KRWDZBQOSA-N 0 0 329.331 2.933 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1OCCC2 ZINC000370495044 150605889 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O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000370982600 150705972 /nfs/dbraw/zinc/70/59/72/150705972.db2.gz PDWPHPHOFMWTON-MRXNPFEDSA-N 0 0 347.396 2.657 10 5 EFBERN NC(=O)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000372277260 150975503 /nfs/dbraw/zinc/97/55/03/150975503.db2.gz GNCXCRBSSPGDBB-INIZCTEOSA-N 0 0 325.368 2.617 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372468184 151012363 /nfs/dbraw/zinc/01/23/63/151012363.db2.gz CXGBSKUZPLCUPP-TXEJJXNPSA-N 0 0 331.397 2.776 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000372732779 151053482 /nfs/dbraw/zinc/05/34/82/151053482.db2.gz RPLCJHHTOAJPOQ-AWEZNQCLSA-N 0 0 345.330 2.610 10 5 EFBERN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000372808276 151065189 /nfs/dbraw/zinc/06/51/89/151065189.db2.gz SUQCQTKTRAQFLR-CYBMUJFWSA-N 0 0 344.346 2.528 10 5 EFBERN Cc1cnc(-c2cccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2)o1 ZINC000373106127 151114431 /nfs/dbraw/zinc/11/44/31/151114431.db2.gz FYSFAUOIZPUDJB-UHFFFAOYSA-N 0 0 340.295 2.911 10 5 EFBERN Cc1cc(NC(=O)[C@H]2CCCOCC2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373207841 151134308 /nfs/dbraw/zinc/13/43/08/151134308.db2.gz QHUJVCDONWIZJN-ZDUSSCGKSA-N 0 0 344.371 2.844 10 5 EFBERN C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCC1 ZINC000373272770 151144535 /nfs/dbraw/zinc/14/45/35/151144535.db2.gz VBGJUAUHRCRVEL-LBPRGKRZSA-N 0 0 335.408 2.717 10 5 EFBERN COc1cc(CN2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])cc1F ZINC000373324058 151152871 /nfs/dbraw/zinc/15/28/71/151152871.db2.gz IDUSRGSGYWZTFS-UHFFFAOYSA-N 0 0 334.351 2.845 10 5 EFBERN CCc1ccc(C(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373630441 151201390 /nfs/dbraw/zinc/20/13/90/151201390.db2.gz SLBDRZZAZDUAEY-MAUKXSAKSA-N 0 0 348.399 2.567 10 5 EFBERN CCc1ccc(C(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373630442 151201665 /nfs/dbraw/zinc/20/16/65/151201665.db2.gz SLBDRZZAZDUAEY-QAPCUYQASA-N 0 0 348.399 2.567 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000373665329 151206852 /nfs/dbraw/zinc/20/68/52/151206852.db2.gz BSYRPXWHCPZTJG-UONOGXRCSA-N 0 0 338.323 2.659 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000373731160 151217631 /nfs/dbraw/zinc/21/76/31/151217631.db2.gz QWURLNSNDHULMD-IGCXYCKISA-N 0 0 336.388 2.766 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000373731163 151218157 /nfs/dbraw/zinc/21/81/57/151218157.db2.gz QWURLNSNDHULMD-IIYDPXPESA-N 0 0 336.388 2.766 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373875668 151241348 /nfs/dbraw/zinc/24/13/48/151241348.db2.gz FPZOVEXXKHWAGE-MQMHXKEQSA-N 0 0 348.790 2.897 10 5 EFBERN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373965843 151258667 /nfs/dbraw/zinc/25/86/67/151258667.db2.gz ALGDWLVSVUUKBN-XNJGSVPQSA-N 0 0 338.379 2.892 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000373973046 151260190 /nfs/dbraw/zinc/26/01/90/151260190.db2.gz APJWEKHUGNZCNB-LBPRGKRZSA-N 0 0 345.403 2.895 10 5 EFBERN Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374016645 151268260 /nfs/dbraw/zinc/26/82/60/151268260.db2.gz FIQNNZBQTYVFRH-GLJUWKHASA-N 0 0 348.399 2.702 10 5 EFBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000374105096 151284275 /nfs/dbraw/zinc/28/42/75/151284275.db2.gz GEGOFZNKYTUSBV-BETUJISGSA-N 0 0 345.380 2.722 10 5 EFBERN C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000374107260 151285220 /nfs/dbraw/zinc/28/52/20/151285220.db2.gz NMJNFCDXGSZCBD-OCCSQVGLSA-N 0 0 340.383 2.546 10 5 EFBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000374152362 151291892 /nfs/dbraw/zinc/29/18/92/151291892.db2.gz XJXVVRMUFSCWLN-HAQNSBGRSA-N 0 0 326.356 2.556 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000374207618 151301448 /nfs/dbraw/zinc/30/14/48/151301448.db2.gz JNAPKGYVPYQMEH-LBPRGKRZSA-N 0 0 343.387 2.525 10 5 EFBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000374436886 151347540 /nfs/dbraw/zinc/34/75/40/151347540.db2.gz AHRQWLYTCWHMOU-QGZVFWFLSA-N 0 0 344.346 2.591 10 5 EFBERN O=C([C@@H]1CC12CCN(c1ccc([N+](=O)[O-])cn1)CC2)N1CCCCC1 ZINC000374527760 151363321 /nfs/dbraw/zinc/36/33/21/151363321.db2.gz RRCPOPAAZSMPNV-HNNXBMFYSA-N 0 0 344.415 2.609 10 5 EFBERN Cc1c(NC(=O)N[C@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000374549332 151367032 /nfs/dbraw/zinc/36/70/32/151367032.db2.gz FGVGKGCAXPVBEE-ZDUSSCGKSA-N 0 0 329.360 2.836 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374675881 151393597 /nfs/dbraw/zinc/39/35/97/151393597.db2.gz FCAQZYCISOGWQX-INIZCTEOSA-N 0 0 325.368 2.624 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375233520 151495915 /nfs/dbraw/zinc/49/59/15/151495915.db2.gz LJXDMIALANKMHK-INIZCTEOSA-N 0 0 335.360 2.638 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000376003426 151638903 /nfs/dbraw/zinc/63/89/03/151638903.db2.gz LMMHYCQTUSYRGN-GLJUWKHASA-N 0 0 348.399 2.702 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H](c3ccncn3)C2)s1 ZINC000376105785 151656273 /nfs/dbraw/zinc/65/62/73/151656273.db2.gz BQSYSJJISLGKCL-SNVBAGLBSA-N 0 0 342.384 2.774 10 5 EFBERN Cc1ccccc1[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000376127589 151660731 /nfs/dbraw/zinc/66/07/31/151660731.db2.gz DCKYGGHKIBYIIB-HAQNSBGRSA-N 0 0 326.356 2.755 10 5 EFBERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000377792765 151947139 /nfs/dbraw/zinc/94/71/39/151947139.db2.gz OUJRGZMYKUQCNS-LBPRGKRZSA-N 0 0 334.401 2.721 10 5 EFBERN O=C(c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000378157907 152020958 /nfs/dbraw/zinc/02/09/58/152020958.db2.gz JWVZEHJULUSZDB-UHFFFAOYSA-N 0 0 339.351 2.725 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408025893 152144597 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2.567 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000194737949 292582963 /nfs/dbraw/zinc/58/29/63/292582963.db2.gz ZRKAQEHTPJUAGZ-UHFFFAOYSA-N 0 0 328.372 2.657 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000122833942 222169105 /nfs/dbraw/zinc/16/91/05/222169105.db2.gz GCCDMJAMWANRDT-MLGOLLRUSA-N 0 0 344.371 2.523 10 5 EFBERN C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CCCCC1 ZINC000006061270 544421703 /nfs/dbraw/zinc/42/17/03/544421703.db2.gz FEDCLIMMVZQLTO-LLVKDONJSA-N 0 0 335.360 2.521 10 5 EFBERN COc1ccc(Nc2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000020249525 544429862 /nfs/dbraw/zinc/42/98/62/544429862.db2.gz BFGDVYJHWHYMGN-UHFFFAOYSA-N 0 0 331.244 2.791 10 5 EFBERN CCN(CC)C(=O)[C@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092509885 544547906 /nfs/dbraw/zinc/54/79/06/544547906.db2.gz OCVXZRZJHSWPPI-PYUISTEWSA-N 0 0 331.416 2.941 10 5 EFBERN Cc1cccc(OC[C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000053185956 292644244 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COC(=O)CC1(CC(=O)NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000187830777 265118561 /nfs/dbraw/zinc/11/85/61/265118561.db2.gz GGOHTZVEVOMQKM-UHFFFAOYSA-N 0 0 334.372 2.725 10 5 EFBERN CC(C)(NC(=O)c1cn2ccnc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000188762090 265155515 /nfs/dbraw/zinc/15/55/15/265155515.db2.gz SXEKWYGLYZASPO-UHFFFAOYSA-N 0 0 330.369 2.969 10 5 EFBERN CCN(Cc1c[nH]c2ccccc12)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000188964176 265165503 /nfs/dbraw/zinc/16/55/03/265165503.db2.gz MKVRUMARIXWQQN-UHFFFAOYSA-N 0 0 341.371 2.630 10 5 EFBERN CCOC(=O)[C@H](CC)N(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000189225566 265177584 /nfs/dbraw/zinc/17/75/84/265177584.db2.gz WSOQEJKYKQOQEI-HNNXBMFYSA-N 0 0 334.372 2.850 10 5 EFBERN CO[C@@H]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000189507853 265191300 /nfs/dbraw/zinc/19/13/00/265191300.db2.gz SFVGAUSIKTZGKF-WCBMZHEXSA-N 0 0 345.302 2.885 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(COc3cccc(F)c3)no2)n1 ZINC000191690549 265272719 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CCOC(=O)CC[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000270640801 265766642 /nfs/dbraw/zinc/76/66/42/265766642.db2.gz RRKPOHOYUXGURP-GFCCVEGCSA-N 0 0 336.388 2.720 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2cccc(Cl)c2)n1 ZINC000270773840 265802871 /nfs/dbraw/zinc/80/28/71/265802871.db2.gz ILLUKTQMZMZKIT-UHFFFAOYSA-N 0 0 336.779 2.689 10 5 EFBERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270798812 265811008 /nfs/dbraw/zinc/81/10/08/265811008.db2.gz YZDKZRYCWKVTRO-LLVKDONJSA-N 0 0 332.360 2.673 10 5 EFBERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271342948 265951177 /nfs/dbraw/zinc/95/11/77/265951177.db2.gz CTWMIXOUVFMGEJ-ZWNOBZJWSA-N 0 0 332.335 2.691 10 5 EFBERN C[C@@H](NC(=O)NC[C@](C)(O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000271600303 266019086 /nfs/dbraw/zinc/01/90/86/266019086.db2.gz AOMNTQMUZSABJW-BZNIZROVSA-N 0 0 349.412 2.924 10 5 EFBERN Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000271625255 266024524 /nfs/dbraw/zinc/02/45/24/266024524.db2.gz ASWUJYUBLFDKIY-SNVBAGLBSA-N 0 0 344.371 2.517 10 5 EFBERN CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271682824 266041037 /nfs/dbraw/zinc/04/10/37/266041037.db2.gz CFQYQGRCMDIYES-WFASDCNBSA-N 0 0 337.420 2.998 10 5 EFBERN Cc1ccc([C@@H](O)CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271687171 266042394 /nfs/dbraw/zinc/04/23/94/266042394.db2.gz PXUOGMFAUPMZGQ-DYVFJYSZSA-N 0 0 343.383 2.997 10 5 EFBERN C[C@H](NC(=O)NC[C@H]1COC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000271725040 266049941 /nfs/dbraw/zinc/04/99/41/266049941.db2.gz SERGBWZCBJUBCP-STQMWFEESA-N 0 0 349.387 2.641 10 5 EFBERN Cc1nc(C(C)(C)NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000271749777 266054252 /nfs/dbraw/zinc/05/42/52/266054252.db2.gz FJGQTJUYSPXCND-VIFPVBQESA-N 0 0 333.348 2.582 10 5 EFBERN COCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000272114820 266157610 /nfs/dbraw/zinc/15/76/10/266157610.db2.gz JBOOIIQVQBWZDB-UHFFFAOYSA-N 0 0 331.166 2.968 10 5 EFBERN CN(C[C@H]1CCCCO1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272399501 266253279 /nfs/dbraw/zinc/25/32/79/266253279.db2.gz ALTHPXKWOOOSNQ-CYBMUJFWSA-N 0 0 328.315 2.714 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000272406693 266255406 /nfs/dbraw/zinc/25/54/06/266255406.db2.gz ZZLSLTPGVQYHPQ-IOASZLSFSA-N 0 0 349.431 2.651 10 5 EFBERN Cc1cc(CN(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)no1 ZINC000272587122 266315666 /nfs/dbraw/zinc/31/56/66/266315666.db2.gz SQEGKKUHUKIPPE-UHFFFAOYSA-N 0 0 325.271 2.642 10 5 EFBERN O=C(NCC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272798036 266386008 /nfs/dbraw/zinc/38/60/08/266386008.db2.gz CRVJVOAHNURILZ-UHFFFAOYSA-N 0 0 339.779 2.883 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273521034 266513159 /nfs/dbraw/zinc/51/31/59/266513159.db2.gz RWLMZKLLJKWQLY-XHSDSOJGSA-N 0 0 340.351 2.881 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCc3ccc(F)cc32)s1 ZINC000106893559 273006718 /nfs/dbraw/zinc/00/67/18/273006718.db2.gz APADQMZSWGCECW-NSHDSACASA-N 0 0 342.373 2.761 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2cccc(N3CCOCC3)n2)c(F)c1 ZINC000274799351 266710269 /nfs/dbraw/zinc/71/02/69/266710269.db2.gz UPIHRWYSEACTNW-UHFFFAOYSA-N 0 0 332.335 2.578 10 5 EFBERN COC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)cc1 ZINC000275100183 266751327 /nfs/dbraw/zinc/75/13/27/266751327.db2.gz BZVYDIXYSKMKGP-QGZVFWFLSA-N 0 0 344.367 2.916 10 5 EFBERN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)cc1 ZINC000275100180 266751335 /nfs/dbraw/zinc/75/13/35/266751335.db2.gz BZVYDIXYSKMKGP-KRWDZBQOSA-N 0 0 344.367 2.916 10 5 EFBERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275745230 266867556 /nfs/dbraw/zinc/86/75/56/266867556.db2.gz CJUPEBBYFHQIRA-ZJUUUORDSA-N 0 0 341.795 2.590 10 5 EFBERN CCOCCOCCN(C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000276555511 267012261 /nfs/dbraw/zinc/01/22/61/267012261.db2.gz YPULFMLJZONGDD-UHFFFAOYSA-N 0 0 344.795 2.682 10 5 EFBERN COc1cc(C(=O)Nc2ccc(N(C)C)nc2)cc([N+](=O)[O-])c1C ZINC000276569970 267014956 /nfs/dbraw/zinc/01/49/56/267014956.db2.gz MXGKUEHUTJBXHT-UHFFFAOYSA-N 0 0 330.344 2.625 10 5 EFBERN CCn1cnnc1[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000276644241 267028086 /nfs/dbraw/zinc/02/80/86/267028086.db2.gz YCXBTEZYBKGPJO-LBPRGKRZSA-N 0 0 342.403 2.558 10 5 EFBERN Cc1c(NC(=O)N2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000276921352 267076991 /nfs/dbraw/zinc/07/69/91/267076991.db2.gz KUKDACOEZVWVIU-UHFFFAOYSA-N 0 0 328.328 2.594 10 5 EFBERN COc1cccc(C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000277355962 267162729 /nfs/dbraw/zinc/16/27/29/267162729.db2.gz PQVBQYDNNWURLI-QGZVFWFLSA-N 0 0 344.367 2.697 10 5 EFBERN COc1cccc(C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000277355946 267163044 /nfs/dbraw/zinc/16/30/44/267163044.db2.gz PQVBQYDNNWURLI-KRWDZBQOSA-N 0 0 344.367 2.697 10 5 EFBERN Cc1csc(N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000277373281 267166630 /nfs/dbraw/zinc/16/66/30/267166630.db2.gz CBYDAPPHXVRCOO-UHFFFAOYSA-N 0 0 344.400 2.563 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277454154 267182547 /nfs/dbraw/zinc/18/25/47/267182547.db2.gz OIZBJPLYXNDLCJ-GMSGAONNSA-N 0 0 339.701 2.783 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000277537408 267192547 /nfs/dbraw/zinc/19/25/47/267192547.db2.gz WDCBVQNJNBBNOU-VIFPVBQESA-N 0 0 338.307 2.558 10 5 EFBERN C[C@@H]1COCC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000277576030 267201697 /nfs/dbraw/zinc/20/16/97/267201697.db2.gz SXVCEBUUTZZRAI-PSASIEDQSA-N 0 0 345.302 2.743 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000277692335 267236254 /nfs/dbraw/zinc/23/62/54/267236254.db2.gz VLNBUJIGQZQWNG-SNVBAGLBSA-N 0 0 331.294 2.808 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000277692265 267236465 /nfs/dbraw/zinc/23/64/65/267236465.db2.gz ZVLSXCACKSWGPT-UHFFFAOYSA-N 0 0 345.359 2.952 10 5 EFBERN C[C@H]1COCC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000277697349 267237230 /nfs/dbraw/zinc/23/72/30/267237230.db2.gz RDSWSKHQTYITGK-XJKSGUPXSA-N 0 0 335.404 2.642 10 5 EFBERN C[C@@H]1COCC[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000277697339 267237696 /nfs/dbraw/zinc/23/76/96/267237696.db2.gz RDSWSKHQTYITGK-CJNGLKHVSA-N 0 0 335.404 2.642 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000277742900 267250454 /nfs/dbraw/zinc/25/04/54/267250454.db2.gz RBBOGKFPKUCHRX-CZUORRHYSA-N 0 0 335.404 2.940 10 5 EFBERN Cc1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277755616 267254748 /nfs/dbraw/zinc/25/47/48/267254748.db2.gz CKEIAYRZYFEOCT-WCQYABFASA-N 0 0 346.305 2.679 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCOC[C@@H]2C)cc1Cl ZINC000277815098 267271001 /nfs/dbraw/zinc/27/10/01/267271001.db2.gz YKIYJJQTVYKPMT-KWQFWETISA-N 0 0 328.752 2.872 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000277851792 267279387 /nfs/dbraw/zinc/27/93/87/267279387.db2.gz JIXZNJIHLKFFHZ-GWCFXTLKSA-N 0 0 346.305 2.679 10 5 EFBERN CCCCOC(=O)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277881805 267289327 /nfs/dbraw/zinc/28/93/27/267289327.db2.gz CPIUJJDJRMSILO-UHFFFAOYSA-N 0 0 328.752 2.630 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC([C@H](C)O)CC1 ZINC000277936768 267303480 /nfs/dbraw/zinc/30/34/80/267303480.db2.gz UVIZBGIRHJUFDE-VIFPVBQESA-N 0 0 342.779 2.632 10 5 EFBERN CC[C@@H](NC(=O)NCc1ccc(OC)cn1)c1cccc([N+](=O)[O-])c1 ZINC000277972093 267311046 /nfs/dbraw/zinc/31/10/46/267311046.db2.gz FFJHAAFQMATYCU-MRXNPFEDSA-N 0 0 344.371 2.949 10 5 EFBERN Cc1cc(N2CCC[C@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000278090959 267339944 /nfs/dbraw/zinc/33/99/44/267339944.db2.gz VNBLSOXVRUJZNL-ZDUSSCGKSA-N 0 0 333.367 2.857 10 5 EFBERN O=C(CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCCCC1 ZINC000278180533 267362250 /nfs/dbraw/zinc/36/22/50/267362250.db2.gz BMOMTHGETNHWBY-UHFFFAOYSA-N 0 0 331.376 2.676 10 5 EFBERN CC(=O)[C@H](C)CCCCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278199879 267366011 /nfs/dbraw/zinc/36/60/11/267366011.db2.gz SBQDUUYIRJJGPJ-LLVKDONJSA-N 0 0 346.387 2.873 10 5 EFBERN COC1(c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)CCOCC1 ZINC000278223011 267373092 /nfs/dbraw/zinc/37/30/92/267373092.db2.gz OYOARNWHLMJMIM-UHFFFAOYSA-N 0 0 344.327 2.778 10 5 EFBERN COCCc1cccc(OC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000278231393 267374328 /nfs/dbraw/zinc/37/43/28/267374328.db2.gz KLRLQNYMJNGHPO-HNNXBMFYSA-N 0 0 347.367 2.602 10 5 EFBERN COCCc1cccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000278247528 267379058 /nfs/dbraw/zinc/37/90/58/267379058.db2.gz MEAHWVPMUYXUOG-MRXNPFEDSA-N 0 0 347.367 2.602 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000278456177 267448082 /nfs/dbraw/zinc/44/80/82/267448082.db2.gz GSYVDZIZINCWEY-ZYHUDNBSSA-N 0 0 326.780 2.838 10 5 EFBERN COCCN(Cc1ccccn1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278480518 267453911 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294767713 /nfs/dbraw/zinc/76/77/13/294767713.db2.gz MTJRTWFUJSQAHU-LLVKDONJSA-N 0 0 347.293 2.544 10 5 EFBERN CCc1noc(C)c1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000292882916 294814685 /nfs/dbraw/zinc/81/46/85/294814685.db2.gz UXGJDWRKDAVSLA-UHFFFAOYSA-N 0 0 334.332 2.556 10 5 EFBERN COCC1(c2noc(-c3cc(C)cc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000293101479 294878039 /nfs/dbraw/zinc/87/80/39/294878039.db2.gz FZIVGRBKAZSJAI-UHFFFAOYSA-N 0 0 333.344 2.648 10 5 EFBERN COCC1(c2noc(-c3cccc([N+](=O)[O-])c3C)n2)CCOCC1 ZINC000293138240 294888870 /nfs/dbraw/zinc/88/88/70/294888870.db2.gz JTQPFCLCHGHUON-UHFFFAOYSA-N 0 0 333.344 2.648 10 5 EFBERN O=C(NC[C@H]1CCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293198936 294905371 /nfs/dbraw/zinc/90/53/71/294905371.db2.gz BXJYZTOTPAEJGO-PELKAZGASA-N 0 0 332.278 2.504 10 5 EFBERN CCc1nn(C)c(NCCc2cccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000293243270 294918889 /nfs/dbraw/zinc/91/88/89/294918889.db2.gz WHGJPYGFVZXQAM-UHFFFAOYSA-N 0 0 343.309 2.959 10 5 EFBERN CC[C@H](NC(=O)c1ccc(C(=O)OC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000293418148 294966843 /nfs/dbraw/zinc/96/68/43/294966843.db2.gz POAXMUDBTDDIOO-LBPRGKRZSA-N 0 0 331.328 2.591 10 5 EFBERN Cc1cc(F)ccc1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000293589765 295006193 /nfs/dbraw/zinc/00/61/93/295006193.db2.gz GQRSLYDGOMQHDY-UHFFFAOYSA-N 0 0 346.362 2.796 10 5 EFBERN COc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000408303151 295016870 /nfs/dbraw/zinc/01/68/70/295016870.db2.gz MLKROLSMVPIXCZ-IJLUTSLNSA-N 0 0 342.417 2.659 10 5 EFBERN Nc1nccc([C@@H]2CCCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000368546807 295030579 /nfs/dbraw/zinc/03/05/79/295030579.db2.gz XGQWQGOWVPQSKC-SNVBAGLBSA-N 0 0 333.779 2.835 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)n1 ZINC000293741579 295039587 /nfs/dbraw/zinc/03/95/87/295039587.db2.gz RLKUPVUVSJUKKI-MRVPVSSYSA-N 0 0 340.792 2.851 10 5 EFBERN CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000294082466 295108117 /nfs/dbraw/zinc/10/81/17/295108117.db2.gz ILXMAQSQLPNUFY-VHSXEESVSA-N 0 0 335.364 2.508 10 5 EFBERN COc1cc(C(=O)N2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000294109351 295112426 /nfs/dbraw/zinc/11/24/26/295112426.db2.gz MYKBCBFCZSOLOS-HTQZYQBOSA-N 0 0 330.287 2.685 10 5 EFBERN CCc1noc(C)c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294153810 295120035 /nfs/dbraw/zinc/12/00/35/295120035.db2.gz XVLPOJPLFFHNMT-UHFFFAOYSA-N 0 0 328.328 2.865 10 5 EFBERN CCc1noc(C)c1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000294183033 295124174 /nfs/dbraw/zinc/12/41/74/295124174.db2.gz ZVAYOUOCDUQPND-UHFFFAOYSA-N 0 0 332.360 2.572 10 5 EFBERN CC[C@H]1CCN1C(=O)c1ccc(C(=O)N2CC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000294199448 295127285 /nfs/dbraw/zinc/12/72/85/295127285.db2.gz XSIZFCPDXNSKMS-KBPBESRZSA-N 0 0 345.399 2.844 10 5 EFBERN NC(=O)[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])c2ccccc21 ZINC000366948227 295155560 /nfs/dbraw/zinc/15/55/60/295155560.db2.gz RJHDMYAJFFIXRL-AWEZNQCLSA-N 0 0 329.331 2.713 10 5 EFBERN CCc1ccc([C@H]2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000294444622 295168479 /nfs/dbraw/zinc/16/84/79/295168479.db2.gz HCIOQYWENRXAFM-AWEZNQCLSA-N 0 0 328.372 2.520 10 5 EFBERN C[C@]12CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]1C2(F)F ZINC000294488531 295175130 /nfs/dbraw/zinc/17/51/30/295175130.db2.gz ALLZCYJMLLMUOJ-RISCZKNCSA-N 0 0 336.298 2.588 10 5 EFBERN CC(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294530256 295181175 /nfs/dbraw/zinc/18/11/75/295181175.db2.gz LNRUAFXUYRJROS-CQSZACIVSA-N 0 0 347.415 2.561 10 5 EFBERN NC1=C([N+](=O)[O-])[C@@H](c2ccsc2)c2c(=O)oc3ccccc3c2O1 ZINC000005777029 295209627 /nfs/dbraw/zinc/20/96/27/295209627.db2.gz WLQSKLOIORJIKY-NSHDSACASA-N 0 0 342.332 2.783 10 5 EFBERN O=C(c1cncc(Cl)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000294788816 295227757 /nfs/dbraw/zinc/22/77/57/295227757.db2.gz HJVQFXKYDLGXLJ-UHFFFAOYSA-N 0 0 346.774 2.606 10 5 EFBERN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294799928 295229708 /nfs/dbraw/zinc/22/97/08/295229708.db2.gz BIUMMPVDJZCWAJ-HNNXBMFYSA-N 0 0 333.432 2.555 10 5 EFBERN Cc1nc(NCCc2cccc(C(F)(F)F)n2)ncc1[N+](=O)[O-] ZINC000294828832 295233890 /nfs/dbraw/zinc/23/38/90/295233890.db2.gz AHKRTIUKPQAXBZ-UHFFFAOYSA-N 0 0 327.266 2.762 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294879943 295240461 /nfs/dbraw/zinc/24/04/61/295240461.db2.gz OVXJIMIACNJPOJ-FUHWJXTLSA-N 0 0 341.367 2.860 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)C[C@H]1CCCC1(F)F ZINC000294899661 295242978 /nfs/dbraw/zinc/24/29/78/295242978.db2.gz AJFNHMQCFNLOME-MRVPVSSYSA-N 0 0 339.291 2.878 10 5 EFBERN C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000294901282 295243115 /nfs/dbraw/zinc/24/31/15/295243115.db2.gz JGNWKRMCDHANNI-IUODEOHRSA-N 0 0 338.379 2.950 10 5 EFBERN CC(F)(F)CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000294941300 295248737 /nfs/dbraw/zinc/24/87/37/295248737.db2.gz LNHBJHHUEPCAMM-UHFFFAOYSA-N 0 0 328.362 2.907 10 5 EFBERN CN(C(=O)CCCNC(=O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000294993079 295255297 /nfs/dbraw/zinc/25/52/97/295255297.db2.gz HTGGEZMYURYZAF-UHFFFAOYSA-N 0 0 347.396 2.829 10 5 EFBERN CC[C@H](C)[C@@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])OC ZINC000295051692 295262013 /nfs/dbraw/zinc/26/20/13/295262013.db2.gz XSURSHMKGSDPQM-JOYOIKCWSA-N 0 0 325.365 2.558 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]n1 ZINC000295104406 295268571 /nfs/dbraw/zinc/26/85/71/295268571.db2.gz ZGVYHEPNNDPLDX-SECBINFHSA-N 0 0 336.779 2.949 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000295192104 295280217 /nfs/dbraw/zinc/28/02/17/295280217.db2.gz LGUOZCCXDULBJP-GFCCVEGCSA-N 0 0 348.371 2.792 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295243475 295287123 /nfs/dbraw/zinc/28/71/23/295287123.db2.gz JJNZSPZKCJKOOK-UHFFFAOYSA-N 0 0 325.434 2.816 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000295254157 295288136 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EFBERN COc1cc(C(=O)N2CCC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000295610062 295348881 /nfs/dbraw/zinc/34/88/81/295348881.db2.gz PXCUUTJBDZUZAV-OAHLLOKOSA-N 0 0 326.324 2.576 10 5 EFBERN COc1cc(C(=O)N2CCC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000295610060 295348931 /nfs/dbraw/zinc/34/89/31/295348931.db2.gz PXCUUTJBDZUZAV-HNNXBMFYSA-N 0 0 326.324 2.576 10 5 EFBERN Cc1c(C(=O)N2CCC[C@@](C)(F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295657729 295355927 /nfs/dbraw/zinc/35/59/27/295355927.db2.gz VNEGODMMMQCWHB-CQSZACIVSA-N 0 0 325.296 2.776 10 5 EFBERN Cc1nc([N+](=O)[O-])c(Br)n1Cc1nnc(C(C)C)s1 ZINC000295656507 295355971 /nfs/dbraw/zinc/35/59/71/295355971.db2.gz DPQQHNNLURDXKJ-UHFFFAOYSA-N 0 0 346.210 2.885 10 5 EFBERN CCOCc1nc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)no1 ZINC000295662088 295356552 /nfs/dbraw/zinc/35/65/52/295356552.db2.gz ICRKHWJBHNBQEG-QMMMGPOBSA-N 0 0 332.320 2.564 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)C[C@H]1CCCC1(F)F)CC2 ZINC000295661020 295356621 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2.806 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000355935809 297391479 /nfs/dbraw/zinc/39/14/79/297391479.db2.gz FMHKXBUHSBJPQZ-WOPDTQHZSA-N 0 0 334.372 2.873 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000347901898 297499295 /nfs/dbraw/zinc/49/92/95/297499295.db2.gz VMKFOHPNAQMQLD-RISCZKNCSA-N 0 0 340.383 2.726 10 5 EFBERN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000368546235 300074714 /nfs/dbraw/zinc/07/47/14/300074714.db2.gz RGZZYFNVMBGLSU-GXTWGEPZSA-N 0 0 328.372 2.942 10 5 EFBERN C[C@H]1OCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@@H]1C ZINC000448187926 300594959 /nfs/dbraw/zinc/59/49/59/300594959.db2.gz HKOIQNSLKXGUIX-RKDXNWHRSA-N 0 0 332.278 2.863 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCS[C@H](C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416403813 301391225 /nfs/dbraw/zinc/39/12/25/301391225.db2.gz UCMMQGPANOVPHW-VXGBXAGGSA-N 0 0 344.458 2.726 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374045206 302039428 /nfs/dbraw/zinc/03/94/28/302039428.db2.gz LMEOGXPBJCEHMZ-DEYYWGMASA-N 0 0 348.399 2.702 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCCCC[C@H]2CCO)c(Br)c1 ZINC000343049150 304811857 /nfs/dbraw/zinc/81/18/57/304811857.db2.gz HSLYTPNGRYNGTA-JTQLQIEISA-N 0 0 344.209 2.884 10 5 EFBERN CCS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000134532274 310642819 /nfs/dbraw/zinc/64/28/19/310642819.db2.gz GTMNEBMQCKAYLT-UHFFFAOYSA-N 0 0 348.380 2.949 10 5 EFBERN Cc1ccc(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000135537802 310656783 /nfs/dbraw/zinc/65/67/83/310656783.db2.gz RCXAAVPZKSQOER-GFCCVEGCSA-N 0 0 346.412 2.615 10 5 EFBERN Cc1ccc(C[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000159661386 310689832 /nfs/dbraw/zinc/68/98/32/310689832.db2.gz HGBIVCSHHMHTSO-MRVPVSSYSA-N 0 0 346.455 2.936 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCc4c(Cl)cccc4C3)nn21 ZINC000159934660 310693027 /nfs/dbraw/zinc/69/30/27/310693027.db2.gz HVDIOQAWSKTVDF-UHFFFAOYSA-N 0 0 329.747 2.854 10 5 EFBERN COC[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000170742153 310737470 /nfs/dbraw/zinc/73/74/70/310737470.db2.gz XYEAKKBPASDSBD-MRXNPFEDSA-N 0 0 329.356 2.782 10 5 EFBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000171324852 310746628 /nfs/dbraw/zinc/74/66/28/310746628.db2.gz BGZPCRWOOCSPQY-CQSZACIVSA-N 0 0 330.340 2.721 10 5 EFBERN CO[C@@H](C)c1nc(C)c(C(=O)NCc2cccc([N+](=O)[O-])c2)s1 ZINC000176226969 310772149 /nfs/dbraw/zinc/77/21/49/310772149.db2.gz NAHLYGSNBLXDKX-JTQLQIEISA-N 0 0 335.385 2.997 10 5 EFBERN NC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cn1 ZINC000179097500 310781890 /nfs/dbraw/zinc/78/18/90/310781890.db2.gz RLMJIXPXKORLNV-UHFFFAOYSA-N 0 0 342.336 2.556 10 5 EFBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC000179219263 310783291 /nfs/dbraw/zinc/78/32/91/310783291.db2.gz DAQWWFLIWLCMHC-JTQLQIEISA-N 0 0 343.368 2.728 10 5 EFBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255199412 310810205 /nfs/dbraw/zinc/81/02/05/310810205.db2.gz HYNCAJFTNPKFDI-KGTBHZDVSA-N 0 0 334.372 2.797 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)[C@H](O)C(F)F ZINC000296618782 310830839 /nfs/dbraw/zinc/83/08/39/310830839.db2.gz BJLRLZZLPKDWAC-CABZTGNLSA-N 0 0 347.318 2.520 10 5 EFBERN O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000297032120 310844465 /nfs/dbraw/zinc/84/44/65/310844465.db2.gz NTJVUVNVPTZYTJ-MLGOLLRUSA-N 0 0 345.330 2.779 10 5 EFBERN C[C@@]1(F)CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000297055658 310847154 /nfs/dbraw/zinc/84/71/54/310847154.db2.gz MGDFABSLGOKHOB-GFCCVEGCSA-N 0 0 336.772 2.761 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H]1C ZINC000297170732 310861184 /nfs/dbraw/zinc/86/11/84/310861184.db2.gz SIHUIEXDCWUNNR-RQJHMYQMSA-N 0 0 339.200 2.931 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)C1CCCC1 ZINC000297723803 310924668 /nfs/dbraw/zinc/92/46/68/310924668.db2.gz BOHDWBSYMHBXCX-GFCCVEGCSA-N 0 0 333.388 2.845 10 5 EFBERN CN(C)c1cc(F)c(C(=O)NC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000298011175 310948292 /nfs/dbraw/zinc/94/82/92/310948292.db2.gz ZQESAJPIHAEEMQ-UHFFFAOYSA-N 0 0 337.273 2.871 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1CCCC1 ZINC000298063326 310953570 /nfs/dbraw/zinc/95/35/70/310953570.db2.gz IXKVIILKIZHELU-GFCCVEGCSA-N 0 0 333.388 2.845 10 5 EFBERN COC(=O)/C=C/c1ccc(Nc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000298182818 310964990 /nfs/dbraw/zinc/96/49/90/310964990.db2.gz CXLSCLMLRSUDKI-SOFGYWHQSA-N 0 0 330.344 2.875 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000298516523 310998420 /nfs/dbraw/zinc/99/84/20/310998420.db2.gz BMYARWBANWRZNM-GZBFAFLISA-N 0 0 335.404 2.815 10 5 EFBERN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1OC ZINC000298910471 311034027 /nfs/dbraw/zinc/03/40/27/311034027.db2.gz BKISXRLZSKZNPR-UHFFFAOYSA-N 0 0 333.344 2.650 10 5 EFBERN COc1ccc(N(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)C2CC2)cc1 ZINC000299530882 311093704 /nfs/dbraw/zinc/09/37/04/311093704.db2.gz QUQFPDRAFVOCJG-GFCCVEGCSA-N 0 0 344.371 2.632 10 5 EFBERN CC(=O)c1ccc(N2CCC(c3cnn(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000299567414 311097678 /nfs/dbraw/zinc/09/76/78/311097678.db2.gz GPTOXCQKTHZNPB-UHFFFAOYSA-N 0 0 328.372 2.915 10 5 EFBERN Cn1cc(C2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000299622344 311104066 /nfs/dbraw/zinc/10/40/66/311104066.db2.gz QOKXDSJRFKETIF-UHFFFAOYSA-N 0 0 331.332 2.621 10 5 EFBERN COC(=O)c1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)oc1C ZINC000299652339 311107444 /nfs/dbraw/zinc/10/74/44/311107444.db2.gz PBHVZLLUJJCGSV-UHFFFAOYSA-N 0 0 346.339 2.863 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](c1ccccc1)c1ccccn1 ZINC000301076701 311117555 /nfs/dbraw/zinc/11/75/55/311117555.db2.gz HGGAQKDWEZKOKR-INIZCTEOSA-N 0 0 349.350 2.685 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1ccc(Cl)cc1 ZINC000301100976 311119029 /nfs/dbraw/zinc/11/90/29/311119029.db2.gz HMLIAJMJDWIIMZ-UHFFFAOYSA-N 0 0 334.763 2.787 10 5 EFBERN O=[N+]([O-])c1cnc(Sc2nnnn2Cc2ccccc2)c(Cl)c1 ZINC000301249681 311126932 /nfs/dbraw/zinc/12/69/32/311126932.db2.gz AUIZZLVICRXQTB-UHFFFAOYSA-N 0 0 348.775 2.829 10 5 EFBERN C[C@@H](Cc1cccc(F)c1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301265999 311128005 /nfs/dbraw/zinc/12/80/05/311128005.db2.gz FKPZPLUHIGUOPK-NSHDSACASA-N 0 0 342.330 2.785 10 5 EFBERN O=C(c1cc(NC[C@H](O)C2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301296817 311129712 /nfs/dbraw/zinc/12/97/12/311129712.db2.gz SELNRXDVHIUGHI-KRWDZBQOSA-N 0 0 347.415 2.794 10 5 EFBERN CCOC(=O)C1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301336678 311132046 /nfs/dbraw/zinc/13/20/46/311132046.db2.gz GPWONKBUULFQRZ-UHFFFAOYSA-N 0 0 326.324 2.522 10 5 EFBERN CNc1nc(CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])cs1 ZINC000301340862 311132470 /nfs/dbraw/zinc/13/24/70/311132470.db2.gz FYZSOOIWUVBRAY-GQCTYLIASA-N 0 0 348.384 2.891 10 5 EFBERN Cc1ccc([C@@H](C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000301341908 311132589 /nfs/dbraw/zinc/13/25/89/311132589.db2.gz FIRLIFIBONDMHG-LBPRGKRZSA-N 0 0 349.412 2.766 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccccc3O)CC2)c1 ZINC000301371210 311134315 /nfs/dbraw/zinc/13/43/15/311134315.db2.gz VHIGVHVRDVEYJM-UHFFFAOYSA-N 0 0 347.346 2.775 10 5 EFBERN NC(=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301382258 311134641 /nfs/dbraw/zinc/13/46/41/311134641.db2.gz AOGQVTDVZBRJNV-IUCAKERBSA-N 0 0 329.303 2.652 10 5 EFBERN CCC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301398599 311135263 /nfs/dbraw/zinc/13/52/63/311135263.db2.gz HNBHWXUDEZMJFI-SNVBAGLBSA-N 0 0 343.330 2.691 10 5 EFBERN CCC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301398598 311135278 /nfs/dbraw/zinc/13/52/78/311135278.db2.gz HNBHWXUDEZMJFI-JTQLQIEISA-N 0 0 343.330 2.691 10 5 EFBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@@H]1c1ccccc1 ZINC000301451079 311138114 /nfs/dbraw/zinc/13/81/14/311138114.db2.gz LNHIJQOSWBXJOP-DOMZBBRYSA-N 0 0 340.383 2.719 10 5 EFBERN CC1(C)CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000301450214 311138145 /nfs/dbraw/zinc/13/81/45/311138145.db2.gz XAUJUOMIEHBECQ-UHFFFAOYSA-N 0 0 327.406 2.623 10 5 EFBERN Cc1cc(C)cc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000301466826 311138936 /nfs/dbraw/zinc/13/89/36/311138936.db2.gz QHEACSCHEAYYKX-GFCCVEGCSA-N 0 0 328.372 2.749 10 5 EFBERN Cc1cc(C)cc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000301466827 311138946 /nfs/dbraw/zinc/13/89/46/311138946.db2.gz QHEACSCHEAYYKX-LBPRGKRZSA-N 0 0 328.372 2.749 10 5 EFBERN CCS[C@H]1CC[C@@]1(O)CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301490323 311140512 /nfs/dbraw/zinc/14/05/12/311140512.db2.gz MHJSRQBPXNYRRO-GXTWGEPZSA-N 0 0 330.381 2.801 10 5 EFBERN C[C@@H]1c2ccccc2CCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301492916 311140850 /nfs/dbraw/zinc/14/08/50/311140850.db2.gz PUCYAPAJEFDIJR-GFCCVEGCSA-N 0 0 336.351 2.726 10 5 EFBERN C[C@H](Cc1cccs1)N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301497754 311141056 /nfs/dbraw/zinc/14/10/56/311141056.db2.gz VBDFTTSTCJPTRY-LLVKDONJSA-N 0 0 344.396 2.732 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ncccc3F)C2)c(Cl)c1 ZINC000301539394 311143223 /nfs/dbraw/zinc/14/32/23/311143223.db2.gz BCSFZJDCPBSMOQ-VIFPVBQESA-N 0 0 337.742 2.868 10 5 EFBERN COC(=O)c1cc(NC[C@H](O)c2ccc(F)cc2)cc(C)c1[N+](=O)[O-] ZINC000301560266 311144668 /nfs/dbraw/zinc/14/46/68/311144668.db2.gz KBUVIULBZKOCMY-HNNXBMFYSA-N 0 0 348.330 2.974 10 5 EFBERN COc1ccc(-n2cc(CNc3ccc(F)cc3[N+](=O)[O-])nn2)cc1 ZINC000301576489 311145492 /nfs/dbraw/zinc/14/54/92/311145492.db2.gz QTJUUKVPSSYVHF-UHFFFAOYSA-N 0 0 343.318 2.935 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC(OCCCO)CC2)c2ccncc21 ZINC000301600630 311147064 /nfs/dbraw/zinc/14/70/64/311147064.db2.gz IRBBAIPRGAVLHZ-UHFFFAOYSA-N 0 0 331.372 2.511 10 5 EFBERN CNC(=O)c1ccc(CN(C)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000301611751 311147809 /nfs/dbraw/zinc/14/78/09/311147809.db2.gz DYISUVAYTUSKQW-UHFFFAOYSA-N 0 0 347.346 2.739 10 5 EFBERN COc1cc(N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000301620330 311148166 /nfs/dbraw/zinc/14/81/66/311148166.db2.gz CLKPZFCJEYHTDP-NXEZZACHSA-N 0 0 346.380 2.510 10 5 EFBERN CNC(=O)c1ccc(N(C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000301625137 311148444 /nfs/dbraw/zinc/14/84/44/311148444.db2.gz PPJHEAAPRUQTNL-GFCCVEGCSA-N 0 0 343.383 2.727 10 5 EFBERN COc1cc(NC[C@H](C(C)C)N2CCOCC2)c([N+](=O)[O-])cc1F ZINC000301625880 311148458 /nfs/dbraw/zinc/14/84/58/311148458.db2.gz PYHHVUGMKCUEON-OAHLLOKOSA-N 0 0 341.383 2.511 10 5 EFBERN CNC(=O)c1ccc(N(C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000301625138 311148532 /nfs/dbraw/zinc/14/85/32/311148532.db2.gz PPJHEAAPRUQTNL-LBPRGKRZSA-N 0 0 343.383 2.727 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@H]2CCCO2)cc1Cl ZINC000301642576 311149401 /nfs/dbraw/zinc/14/94/01/311149401.db2.gz BSFHNHMRHPTJQV-SECBINFHSA-N 0 0 328.752 2.650 10 5 EFBERN COc1cc(NC[C@@H](C)CC2(C)OCCO2)c([N+](=O)[O-])cc1F ZINC000301651828 311150182 /nfs/dbraw/zinc/15/01/82/311150182.db2.gz SOYJIVYKCKJWQM-JTQLQIEISA-N 0 0 328.340 2.944 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3ccc(Cl)nc3)cc2N1 ZINC000301660446 311150662 /nfs/dbraw/zinc/15/06/62/311150662.db2.gz JSNHXEXZPIKWDH-UHFFFAOYSA-N 0 0 348.746 2.629 10 5 EFBERN Cc1nc(N[C@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000301666038 311150743 /nfs/dbraw/zinc/15/07/43/311150743.db2.gz OMIGDNZBCDWGTI-AWEZNQCLSA-N 0 0 326.356 2.906 10 5 EFBERN Nc1nc(NC[C@@H]2C[C@]23CCCc2ccccc23)ncc1[N+](=O)[O-] ZINC000301669961 311151049 /nfs/dbraw/zinc/15/10/49/311151049.db2.gz YJHSTNIZBACWKC-YVEFUNNKSA-N 0 0 325.372 2.673 10 5 EFBERN Cc1cc(NCC[C@H](C)[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301690486 311152428 /nfs/dbraw/zinc/15/24/28/311152428.db2.gz KAQLXXASNJFJKR-MCFWBGNESA-N 0 0 348.428 2.929 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)C(C)(C)C)cc1Cl ZINC000301695478 311152744 /nfs/dbraw/zinc/15/27/44/311152744.db2.gz YOBPPQDFUBRRJA-LBPRGKRZSA-N 0 0 330.768 2.854 10 5 EFBERN CCC[C@H](C)[C@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301696703 311153036 /nfs/dbraw/zinc/15/30/36/311153036.db2.gz NFDNOOGRIUBJFV-WCQYABFASA-N 0 0 341.433 2.647 10 5 EFBERN COC(=O)c1cc(NC[C@](C)(O)c2ccco2)cc(C)c1[N+](=O)[O-] ZINC000301699241 311153120 /nfs/dbraw/zinc/15/31/20/311153120.db2.gz RKSXETJVICLQKC-INIZCTEOSA-N 0 0 334.328 2.602 10 5 EFBERN O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(O)c3)C2)nc2sccn21 ZINC000301722693 311154890 /nfs/dbraw/zinc/15/48/90/311154890.db2.gz NSABDBDRSBOIGB-LBPRGKRZSA-N 0 0 346.368 2.588 10 5 EFBERN CCOC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000301749363 311156398 /nfs/dbraw/zinc/15/63/98/311156398.db2.gz HSXJGMYHKWIGGT-KRWDZBQOSA-N 0 0 329.356 2.923 10 5 EFBERN CS(=O)(=O)c1cc(N2CCCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301786691 311158262 /nfs/dbraw/zinc/15/82/62/311158262.db2.gz LQFNGTDYUALWJZ-UHFFFAOYSA-N 0 0 346.408 2.951 10 5 EFBERN O=[N+]([O-])c1cc(F)c(Sc2nnnn2-c2ccccc2)c(F)c1 ZINC000301803569 311159413 /nfs/dbraw/zinc/15/94/13/311159413.db2.gz UYVMJZUQPGRKFJ-UHFFFAOYSA-N 0 0 335.295 3.000 10 5 EFBERN CCOCc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301823172 311160744 /nfs/dbraw/zinc/16/07/44/311160744.db2.gz CIWUVRJPSQXKMW-UHFFFAOYSA-N 0 0 327.344 2.786 10 5 EFBERN CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000301825465 311160863 /nfs/dbraw/zinc/16/08/63/311160863.db2.gz MFVZDIJXKXYAHM-OAHLLOKOSA-N 0 0 331.347 2.845 10 5 EFBERN COc1cccc([C@@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301832365 311161451 /nfs/dbraw/zinc/16/14/51/311161451.db2.gz JBEBVPNWXSZKGI-AWEZNQCLSA-N 0 0 339.355 2.988 10 5 EFBERN CCOc1ccc(CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301849094 311162190 /nfs/dbraw/zinc/16/21/90/311162190.db2.gz VVTXXQVNDBGWGK-UHFFFAOYSA-N 0 0 327.344 2.673 10 5 EFBERN CN(CCOc1cccc(Cl)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301857085 311162885 /nfs/dbraw/zinc/16/28/85/311162885.db2.gz 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311728968 /nfs/dbraw/zinc/72/89/68/311728968.db2.gz XSDRFQVIDXTRAG-NSHDSACASA-N 0 0 346.309 2.735 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CC=CCC1 ZINC000343910429 311729573 /nfs/dbraw/zinc/72/95/73/311729573.db2.gz CTIXMVVFFDGJOB-LBPRGKRZSA-N 0 0 340.401 2.580 10 5 EFBERN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cscn4)no3)n2)cc1 ZINC000350545198 311805473 /nfs/dbraw/zinc/80/54/73/311805473.db2.gz NKBNKRGJRBJRQE-UHFFFAOYSA-N 0 0 340.324 2.954 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(CCn3ccc4ccccc43)no2)n1 ZINC000350598515 311811991 /nfs/dbraw/zinc/81/19/91/311811991.db2.gz QSZXPZJRTVGYLA-UHFFFAOYSA-N 0 0 338.327 2.576 10 5 EFBERN Cc1nc(C(C)C)sc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350889853 311831748 /nfs/dbraw/zinc/83/17/48/311831748.db2.gz OCDAJRTWAZDMGK-UHFFFAOYSA-N 0 0 334.361 2.934 10 5 EFBERN Cn1cc(-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)ccc1=O ZINC000350918262 311834298 /nfs/dbraw/zinc/83/42/98/311834298.db2.gz AWYCSXIMNIPOSY-UHFFFAOYSA-N 0 0 344.352 2.636 10 5 EFBERN O=C(Cc1noc(-c2ccccc2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000350982981 311840225 /nfs/dbraw/zinc/84/02/25/311840225.db2.gz KWKYXHWSVHWHBT-UHFFFAOYSA-N 0 0 338.323 2.504 10 5 EFBERN O=[N+]([O-])c1cc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)ccc1-n1cncn1 ZINC000351195637 311863273 /nfs/dbraw/zinc/86/32/73/311863273.db2.gz JHJABDDFOZXVGP-IUCAKERBSA-N 0 0 348.269 2.594 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(c3ccc(Cl)cc3)C2)n1 ZINC000412396508 311985540 /nfs/dbraw/zinc/98/55/40/311985540.db2.gz IVPXDZMZXBGUJP-UHFFFAOYSA-N 0 0 334.763 2.704 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC(c3ccccc3)(C(C)C)C2)c1[N+](=O)[O-] ZINC000412794802 312014236 /nfs/dbraw/zinc/01/42/36/312014236.db2.gz NXDKTEGXHWOQIU-UHFFFAOYSA-N 0 0 342.399 2.930 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000412938902 312039283 /nfs/dbraw/zinc/03/92/83/312039283.db2.gz PVJOTADPQPPCOL-XHSDSOJGSA-N 0 0 334.416 2.831 10 5 EFBERN C[C@@H](F)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486176 312191861 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10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000426723976 312527890 /nfs/dbraw/zinc/52/78/90/312527890.db2.gz OSGYJFIXXRTBPO-INIZCTEOSA-N 0 0 332.331 2.828 10 5 EFBERN COC(=O)c1c(C)c(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1F ZINC000426827844 312530217 /nfs/dbraw/zinc/53/02/17/312530217.db2.gz TWHNXSYVERLHGF-UHFFFAOYSA-N 0 0 347.302 2.663 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3c2c(F)ccc3F)c1 ZINC000432285101 312553749 /nfs/dbraw/zinc/55/37/49/312553749.db2.gz NCWLPFYHSBNSLZ-UHFFFAOYSA-N 0 0 340.307 2.624 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2coc3ccccc23)c1 ZINC000432300688 312554505 /nfs/dbraw/zinc/55/45/05/312554505.db2.gz GLNLNTNLEONCGJ-UHFFFAOYSA-N 0 0 346.364 2.961 10 5 EFBERN CC(C)N1C(=O)CN(c2ccnc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC000432315872 312555683 /nfs/dbraw/zinc/55/56/83/312555683.db2.gz XFUFBDCGAJSLDY-UHFFFAOYSA-N 0 0 342.399 2.979 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)Nc2nccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000432421692 312564315 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2.772 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccnc2ccnn21 ZINC000439111044 312634144 /nfs/dbraw/zinc/63/41/44/312634144.db2.gz WOOABEIQELHVOK-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN COc1cccc(CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000441249436 312641739 /nfs/dbraw/zinc/64/17/39/312641739.db2.gz OMFXLVNDBBVEDK-GFCCVEGCSA-N 0 0 344.371 2.601 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C(C)C)C1 ZINC000447168528 312671156 /nfs/dbraw/zinc/67/11/56/312671156.db2.gz SFOYVFWJYQZESF-ZDUSSCGKSA-N 0 0 326.418 2.878 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCCc2c(F)cccc21 ZINC000450570356 312710378 /nfs/dbraw/zinc/71/03/78/312710378.db2.gz ZLRLPSWAUKZDGT-CQSZACIVSA-N 0 0 330.319 2.717 10 5 EFBERN CC[C@@H]1[C@@H](CO)CCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450653008 312730931 /nfs/dbraw/zinc/73/09/31/312730931.db2.gz GFJZDTVFSFSSCH-GDBMZVCRSA-N 0 0 342.399 2.957 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC1(CF)CCOCC1 ZINC000450733714 312735101 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2.893 10 5 EFBERN Cc1cc(N2CCN(CC(F)(F)F)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450876889 312764773 /nfs/dbraw/zinc/76/47/73/312764773.db2.gz SSFKVEAEQTZUQC-JTQLQIEISA-N 0 0 332.326 2.619 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000450887819 312767269 /nfs/dbraw/zinc/76/72/69/312767269.db2.gz ZRUVQKZJOUCGSN-SFHVURJKSA-N 0 0 347.415 2.740 10 5 EFBERN O=C(c1ccc(NC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000450919371 312774554 /nfs/dbraw/zinc/77/45/54/312774554.db2.gz OCPJYYAYOGZDMQ-GJZGRUSLSA-N 0 0 345.399 2.525 10 5 EFBERN Cc1ccnc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)n1 ZINC000453242646 312884249 /nfs/dbraw/zinc/88/42/49/312884249.db2.gz WDNQSZIBIKRQKQ-UHFFFAOYSA-N 0 0 338.327 2.768 10 5 EFBERN CSc1ccc(C(=O)NC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000456053949 313017871 /nfs/dbraw/zinc/01/78/71/313017871.db2.gz UDFHCCBSPOQOQK-UHFFFAOYSA-N 0 0 328.365 2.565 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000456077940 313022075 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2.732 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000566371704 319068196 /nfs/dbraw/zinc/06/81/96/319068196.db2.gz FMTYWRLNZUHGNE-BXKDBHETSA-N 0 0 346.330 2.723 10 5 EFBERN CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000566451530 319078098 /nfs/dbraw/zinc/07/80/98/319078098.db2.gz DBABVJADZAAURP-UHFFFAOYSA-N 0 0 344.371 2.970 10 5 EFBERN Cc1ccnc([C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000566467649 319080665 /nfs/dbraw/zinc/08/06/65/319080665.db2.gz WGPZSOOWCAKIDC-CQSZACIVSA-N 0 0 341.367 2.693 10 5 EFBERN COc1ccc(C[NH2+]C2(C(=O)[O-])CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000566489371 319083330 /nfs/dbraw/zinc/08/33/30/319083330.db2.gz LFYWDGJPSOTLPL-UHFFFAOYSA-N 0 0 344.314 2.726 10 5 EFBERN CC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000566576198 319091403 /nfs/dbraw/zinc/09/14/03/319091403.db2.gz SGHSEZXBTSKEDG-UHFFFAOYSA-N 0 0 335.404 2.993 10 5 EFBERN CNc1ccc(C(=O)NC[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000566614180 319094694 /nfs/dbraw/zinc/09/46/94/319094694.db2.gz DGGYCWFSYPHYCK-LBPRGKRZSA-N 0 0 335.429 2.900 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2ccc3c(c2)N(C)CC3)c1[N+](=O)[O-] ZINC000566932100 319123433 /nfs/dbraw/zinc/12/34/33/319123433.db2.gz OXXOOFIGLGBLIL-UHFFFAOYSA-N 0 0 342.355 2.821 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NCCCOC[C@H]1CCCO1)CCCC2 ZINC000566970241 319126760 /nfs/dbraw/zinc/12/67/60/319126760.db2.gz ISGJUNPBLUSWBT-CQSZACIVSA-N 0 0 335.404 2.866 10 5 EFBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC000567859050 319219150 /nfs/dbraw/zinc/21/91/50/319219150.db2.gz SDPFTULPJBTLQF-OAHLLOKOSA-N 0 0 345.403 2.877 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@]2(CCSC2)C1 ZINC000567935923 319228005 /nfs/dbraw/zinc/22/80/05/319228005.db2.gz YEDRFFYOZUQFCQ-AWEZNQCLSA-N 0 0 342.804 2.596 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(CF)CCOCC1 ZINC000568357387 319274281 /nfs/dbraw/zinc/27/42/81/319274281.db2.gz QHVCVYDVPAEDTO-UHFFFAOYSA-N 0 0 349.362 2.501 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC ZINC000568395445 319279841 /nfs/dbraw/zinc/27/98/41/319279841.db2.gz KOPPNEKRIPWXDT-MEBBXXQBSA-N 0 0 347.371 2.784 10 5 EFBERN CC(C)(C)C1CC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000568406251 319281146 /nfs/dbraw/zinc/28/11/46/319281146.db2.gz VDSJVQVTJWLBNF-UHFFFAOYSA-N 0 0 340.445 2.881 10 5 EFBERN CSC[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568495312 319289256 /nfs/dbraw/zinc/28/92/56/319289256.db2.gz JHMPYMFGINIVJY-SNVBAGLBSA-N 0 0 336.417 2.669 10 5 EFBERN CC(C)Oc1nc(N2CC[C@@H](Oc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000569019241 319340688 /nfs/dbraw/zinc/34/06/88/319340688.db2.gz HZTFIAACJZMECQ-CQSZACIVSA-N 0 0 344.371 2.830 10 5 EFBERN Cc1ccnc([C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)c1 ZINC000569116064 319350453 /nfs/dbraw/zinc/35/04/53/319350453.db2.gz CYBUUWQGSUGLRZ-CQSZACIVSA-N 0 0 340.383 2.726 10 5 EFBERN COC(=O)c1ncccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569306927 319366712 /nfs/dbraw/zinc/36/67/12/319366712.db2.gz ZQRDFXPTXZMPIR-JTQLQIEISA-N 0 0 329.312 2.519 10 5 EFBERN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[C@H]1CCC(F)(F)C1 ZINC000570091688 319443634 /nfs/dbraw/zinc/44/36/34/319443634.db2.gz TWCFEZVHECPSMA-VIFPVBQESA-N 0 0 325.271 2.847 10 5 EFBERN CC1(C)CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC[S@@]1=O ZINC000570520640 319485294 /nfs/dbraw/zinc/48/52/94/319485294.db2.gz IPJXQQQAWHNCQU-QHCPKHFHSA-N 0 0 333.413 2.880 10 5 EFBERN CCc1cccc(CC)c1NC(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000570682821 319502771 /nfs/dbraw/zinc/50/27/71/319502771.db2.gz QRTCEMPUGQPEMN-UHFFFAOYSA-N 0 0 347.346 2.659 10 5 EFBERN O=C(NCCOCC1CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000570988086 319531760 /nfs/dbraw/zinc/53/17/60/319531760.db2.gz HLOASQOTTBMPRO-UHFFFAOYSA-N 0 0 344.314 2.743 10 5 EFBERN COC(=O)[C@H]1CC12CCN(c1nc3c(cc1[N+](=O)[O-])CCCC3)CC2 ZINC000571674133 319597150 /nfs/dbraw/zinc/59/71/50/319597150.db2.gz NEQLSAMYNYTMDY-CYBMUJFWSA-N 0 0 345.399 2.648 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](O)C1CCCCC1 ZINC000571856083 319611941 /nfs/dbraw/zinc/61/19/41/319611941.db2.gz SNCNVFKBABVWFH-KRWDZBQOSA-N 0 0 345.399 2.676 10 5 EFBERN CCC[NH+]1CCC(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000572366907 319662751 /nfs/dbraw/zinc/66/27/51/319662751.db2.gz BTAQKVJTKNNVLB-UHFFFAOYSA-N 0 0 335.404 2.756 10 5 EFBERN CC(=O)NCC[C@@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000572396908 319666597 /nfs/dbraw/zinc/66/65/97/319666597.db2.gz XZWXZQFDZXJLJC-AWEZNQCLSA-N 0 0 346.431 2.611 10 5 EFBERN COc1ncc(Cl)c(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000573478702 319770513 /nfs/dbraw/zinc/77/05/13/319770513.db2.gz QSRAFCPICBSMKH-UHFFFAOYSA-N 0 0 347.762 2.605 10 5 EFBERN Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000574013164 319820294 /nfs/dbraw/zinc/82/02/94/319820294.db2.gz NRWWKVLKWQGGPO-UHFFFAOYSA-N 0 0 325.284 2.601 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2c(OC)cccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000574531645 319871318 /nfs/dbraw/zinc/87/13/18/319871318.db2.gz TXLFISGCNHNANB-DJSGYFEHSA-N 0 0 332.360 2.631 10 5 EFBERN C/C(=C\c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000575114181 319926038 /nfs/dbraw/zinc/92/60/38/319926038.db2.gz SYHQUHQOEYKZMO-DHZHZOJOSA-N 0 0 342.355 2.650 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCN(Cc2c(C)noc2C)CC1 ZINC000576145488 319987978 /nfs/dbraw/zinc/98/79/78/319987978.db2.gz KLUUAGJRLBNTJH-UHFFFAOYSA-N 0 0 346.387 2.530 10 5 EFBERN O=[N+]([O-])c1c(N[C@@H](CCO)C2CCOCC2)ccc2ncccc21 ZINC000576276125 320000772 /nfs/dbraw/zinc/00/07/72/320000772.db2.gz AYIUCOVNEHDNIE-AWEZNQCLSA-N 0 0 331.372 2.733 10 5 EFBERN Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1C ZINC000576498206 320021377 /nfs/dbraw/zinc/02/13/77/320021377.db2.gz GAGTUQWYWAEQES-UHFFFAOYSA-N 0 0 326.356 2.696 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000577078157 320076483 /nfs/dbraw/zinc/07/64/83/320076483.db2.gz ZPJFXHHGXUQENN-ZDUSSCGKSA-N 0 0 334.294 2.887 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1nn(C)c2c1CCCC2 ZINC000577200759 320088111 /nfs/dbraw/zinc/08/81/11/320088111.db2.gz SNHCMWSBMAEWFK-LLVKDONJSA-N 0 0 340.383 2.799 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000577377931 320105192 /nfs/dbraw/zinc/10/51/92/320105192.db2.gz FVBSMIPVFBJGGQ-CMPLNLGQSA-N 0 0 325.365 2.522 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCSC3(CCOCC3)C1)CCCC2 ZINC000577503674 320117404 /nfs/dbraw/zinc/11/74/04/320117404.db2.gz KHVGNTVGTJJABN-UHFFFAOYSA-N 0 0 349.456 2.971 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC2CCC1CC2 ZINC000577687162 320132822 /nfs/dbraw/zinc/13/28/22/320132822.db2.gz NNKQGSNQKFWATP-ZUEPYMLJSA-N 0 0 333.388 2.852 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC2CCC1CC2 ZINC000577687161 320133124 /nfs/dbraw/zinc/13/31/24/320133124.db2.gz NNKQGSNQKFWATP-SEEARECTSA-N 0 0 333.388 2.852 10 5 EFBERN CCOC(=O)c1[nH]c(C)nc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577691036 320133534 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COc1ccccc1NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000026346147 323212808 /nfs/dbraw/zinc/21/28/08/323212808.db2.gz BUWIZUIQDBDJLS-UHFFFAOYSA-N 0 0 329.356 2.674 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)CO ZINC000181623698 323242115 /nfs/dbraw/zinc/24/21/15/323242115.db2.gz NNFWSYUMXSNQNX-WDEREUQCSA-N 0 0 326.418 2.842 10 5 EFBERN Cc1nn(C)c(C)c1CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000182243883 323271494 /nfs/dbraw/zinc/27/14/94/323271494.db2.gz NHEHCKWIRVCTOI-UHFFFAOYSA-N 0 0 330.388 2.616 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000182418851 323282882 /nfs/dbraw/zinc/28/28/82/323282882.db2.gz ZWDAUQRWWKTRGQ-UHFFFAOYSA-N 0 0 347.758 2.817 10 5 EFBERN Cc1csc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000184167463 323357886 /nfs/dbraw/zinc/35/78/86/323357886.db2.gz KRCRKHJTYSAGQA-LLVKDONJSA-N 0 0 346.412 2.600 10 5 EFBERN C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184199769 323359010 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10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(OC)c(OC)c3)no2)n1 ZINC000191676945 323469213 /nfs/dbraw/zinc/46/92/13/323469213.db2.gz ALGZUXGIFNGIMQ-UHFFFAOYSA-N 0 0 345.315 2.545 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000194047048 323498840 /nfs/dbraw/zinc/49/88/40/323498840.db2.gz HJANLGCVFTVGNW-UHFFFAOYSA-N 0 0 335.703 2.933 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cccc(C)c21 ZINC000194183791 323501149 /nfs/dbraw/zinc/50/11/49/323501149.db2.gz JWWLQSFNDWSBNL-UHFFFAOYSA-N 0 0 348.380 2.663 10 5 EFBERN CC1(C)OCC[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000296573317 323560000 /nfs/dbraw/zinc/56/00/00/323560000.db2.gz SMJVRSZGJLTTPV-HNNXBMFYSA-N 0 0 335.404 2.784 10 5 EFBERN CC1(C)OCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000296729301 323597948 /nfs/dbraw/zinc/59/79/48/323597948.db2.gz SSIDNUGJEYLNDR-ZDUSSCGKSA-N 0 0 341.795 2.657 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2ncccc2C)c1 ZINC000296844477 323647572 /nfs/dbraw/zinc/64/75/72/323647572.db2.gz DPPBBVCHOUCNAA-UHFFFAOYSA-N 0 0 343.383 2.734 10 5 EFBERN Cc1cc(N[C@H](C)Cn2ncc3ccccc3c2=O)ncc1[N+](=O)[O-] ZINC000301914655 323716103 /nfs/dbraw/zinc/71/61/03/323716103.db2.gz UZJJJYKNDPVHOH-GFCCVEGCSA-N 0 0 339.355 2.509 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCO[C@H](c4ccncc4)C3)nc2c1 ZINC000450798671 323800093 /nfs/dbraw/zinc/80/00/93/323800093.db2.gz RVKYXDPQEFBNAH-WBMJQRKESA-N 0 0 339.355 2.620 10 5 EFBERN CC(C)(C)C[C@@H](O)CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578945921 323844100 /nfs/dbraw/zinc/84/41/00/323844100.db2.gz HYHXUMHXXSFYTN-AWEZNQCLSA-N 0 0 347.415 2.922 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NC[C@H](O)COc1ccccc1)CCCC2 ZINC000579346995 323938623 /nfs/dbraw/zinc/93/86/23/323938623.db2.gz BHIKSSFWVFBQHL-AWEZNQCLSA-N 0 0 343.383 2.720 10 5 EFBERN Cc1cc(OCC(=O)N2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000580147953 324104693 /nfs/dbraw/zinc/10/46/93/324104693.db2.gz ORYXZQAIOHMJBD-SFHVURJKSA-N 0 0 348.399 2.701 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CCC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000580321557 324141782 /nfs/dbraw/zinc/14/17/82/324141782.db2.gz OUWCXXXUCIBSFD-CQSZACIVSA-N 0 0 330.381 2.670 10 5 EFBERN C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000580445009 324166202 /nfs/dbraw/zinc/16/62/02/324166202.db2.gz FDYIDDUEEDZKFX-LRDDRELGSA-N 0 0 343.383 2.605 10 5 EFBERN CN(CCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)c1ccccc1 ZINC000580713704 324219445 /nfs/dbraw/zinc/21/94/45/324219445.db2.gz GNVBHCYTIKWPRR-UHFFFAOYSA-N 0 0 327.384 2.772 10 5 EFBERN COC(=O)c1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)s1 ZINC000580714202 324219675 /nfs/dbraw/zinc/21/96/75/324219675.db2.gz UXMHCMAXGXXNTQ-UHFFFAOYSA-N 0 0 348.380 2.532 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)OC ZINC000580717282 324220182 /nfs/dbraw/zinc/22/01/82/324220182.db2.gz WAOLNALONMPMIF-BONVTDFDSA-N 0 0 347.371 2.784 10 5 EFBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@](C)(C(F)(F)F)O1 ZINC000580733716 324222847 /nfs/dbraw/zinc/22/28/47/324222847.db2.gz VSBKFIGHLJECNP-ZDUSSCGKSA-N 0 0 347.293 2.562 10 5 EFBERN COC(=O)[C@H](CNc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CC1 ZINC000580954861 324275039 /nfs/dbraw/zinc/27/50/39/324275039.db2.gz FDUUMCRDYPNJDX-JTQLQIEISA-N 0 0 326.324 2.744 10 5 EFBERN CC(C)C(=O)N1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000583141263 324748479 /nfs/dbraw/zinc/74/84/79/324748479.db2.gz LFWUUZJHCQTGBN-UHFFFAOYSA-N 0 0 346.431 2.928 10 5 EFBERN C[C@]1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCOC1 ZINC000583288432 324779906 /nfs/dbraw/zinc/77/99/06/324779906.db2.gz YQQLQYOHXJIVBG-KRWDZBQOSA-N 0 0 331.372 2.552 10 5 EFBERN CC1(C)CC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000583480149 324817172 /nfs/dbraw/zinc/81/71/72/324817172.db2.gz NXUJHDJXIFTWRG-OAHLLOKOSA-N 0 0 349.431 2.797 10 5 EFBERN C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)N1CCCCC1=O ZINC000583561403 324832372 /nfs/dbraw/zinc/83/23/72/324832372.db2.gz ZNRJKZYRWNTLKL-GFCCVEGCSA-N 0 0 332.404 2.682 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2cscn2)cc1C ZINC000583704552 324856880 /nfs/dbraw/zinc/85/68/80/324856880.db2.gz JZYBGVHDARYILV-JTQLQIEISA-N 0 0 341.414 2.708 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000584063741 324923634 /nfs/dbraw/zinc/92/36/34/324923634.db2.gz BHHJLELCTCKDJC-CYBMUJFWSA-N 0 0 347.396 2.558 10 5 EFBERN O=C(Nc1ccn(C2CCOCC2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000601673050 450158674 /nfs/dbraw/zinc/15/86/74/450158674.db2.gz QSPCEGCSICVWEX-UHFFFAOYSA-N 0 0 334.307 2.534 10 5 EFBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC000610282908 450181393 /nfs/dbraw/zinc/18/13/93/450181393.db2.gz MCPZRBKCHVWPLL-IFUGULHKSA-N 0 0 326.356 2.564 10 5 EFBERN CCC(=O)Nc1cccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000535046500 468292625 /nfs/dbraw/zinc/29/26/25/468292625.db2.gz DMCKAPSIISLESX-UHFFFAOYSA-N 0 0 340.343 2.598 10 5 EFBERN CNc1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1[N+](=O)[O-] ZINC000523343311 468388641 /nfs/dbraw/zinc/38/86/41/468388641.db2.gz GDCHKJIYHGVZKR-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN Cc1ccc2oc(SCCn3cc([N+](=O)[O-])ccc3=O)nc2c1 ZINC000095446257 473206202 /nfs/dbraw/zinc/20/62/02/473206202.db2.gz UURKKDUCNNWZAS-UHFFFAOYSA-N 0 0 331.353 2.998 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124040178 473207349 /nfs/dbraw/zinc/20/73/49/473207349.db2.gz TXTYXTPCOASHKQ-HNNXBMFYSA-N 0 0 335.448 2.946 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2Cl)CC1 ZINC000095408565 473199003 /nfs/dbraw/zinc/19/90/03/473199003.db2.gz LZTBNRLBIPSWII-UHFFFAOYSA-N 0 0 346.774 2.606 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCc3ccccc32)s1 ZINC000111349784 473209167 /nfs/dbraw/zinc/20/91/67/473209167.db2.gz FGIWWSDPDWLCGA-NSHDSACASA-N 0 0 338.410 2.665 10 5 EFBERN O=C(c1ccccc1OC(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095464912 473209774 /nfs/dbraw/zinc/20/97/74/473209774.db2.gz DAIGDNLGKOXPNY-UHFFFAOYSA-N 0 0 349.293 2.790 10 5 EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000111358567 473209801 /nfs/dbraw/zinc/20/98/01/473209801.db2.gz PZWBQNPXSMXOGH-NVXWUHKLSA-N 0 0 346.408 2.818 10 5 EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000111358564 473210089 /nfs/dbraw/zinc/21/00/89/473210089.db2.gz PZWBQNPXSMXOGH-WBVHZDCISA-N 0 0 346.408 2.818 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2nccs2)C1 ZINC000111415590 473211338 /nfs/dbraw/zinc/21/13/38/473211338.db2.gz TWLRIBVXCGTXHN-LBPRGKRZSA-N 0 0 334.357 2.657 10 5 EFBERN O=C(NC[C@H]1CCC[C@@H]1O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124127868 473214087 /nfs/dbraw/zinc/21/40/87/473214087.db2.gz BYDCMBOZTKEVCH-PELKAZGASA-N 0 0 332.278 2.504 10 5 EFBERN CCc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000138782964 473224218 /nfs/dbraw/zinc/22/42/18/473224218.db2.gz AQHKAUFQFZVJOG-QMMMGPOBSA-N 0 0 338.751 2.940 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000095941744 473226579 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O=[N+]([O-])c1ccccc1N1CCN(Cc2cn3ccsc3n2)CC1 ZINC000171074507 473273784 /nfs/dbraw/zinc/27/37/84/473273784.db2.gz WPZPTMPFGWWNRX-UHFFFAOYSA-N 0 0 343.412 2.626 10 5 EFBERN CC(C)c1nnc2n1CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC000190438626 473274443 /nfs/dbraw/zinc/27/44/43/473274443.db2.gz CARGDCCMISDYOR-NSHDSACASA-N 0 0 344.375 2.918 10 5 EFBERN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc([N+](=O)[O-])cn1 ZINC000531898273 468083782 /nfs/dbraw/zinc/08/37/82/468083782.db2.gz KEGUTMUKCORLEP-UHFFFAOYSA-N 0 0 345.265 2.910 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1noc(C)n1 ZINC000184938138 473278912 /nfs/dbraw/zinc/27/89/12/473278912.db2.gz CFBFVVFCOMPQGJ-CYBMUJFWSA-N 0 0 332.360 2.514 10 5 EFBERN Cc1ccc(-c2[nH]nc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2C)o1 ZINC000532914516 468152416 /nfs/dbraw/zinc/15/24/16/468152416.db2.gz YMTBNJMSZYUOJD-UHFFFAOYSA-N 0 0 327.300 2.842 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000124689252 473286702 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Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000171234919 473333975 /nfs/dbraw/zinc/33/39/75/473333975.db2.gz SSXNVQNYECTLHM-ZDUSSCGKSA-N 0 0 344.371 2.690 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000083234391 473336441 /nfs/dbraw/zinc/33/64/41/473336441.db2.gz VGXFKBINURRDSK-SFHVURJKSA-N 0 0 347.415 2.740 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1Cn1cncn1 ZINC000124977548 473336697 /nfs/dbraw/zinc/33/66/97/473336697.db2.gz RGZKGOCTHNSIAF-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)no1 ZINC000171246504 473337915 /nfs/dbraw/zinc/33/79/15/473337915.db2.gz HOAKTUWYTRLXEC-ZDUSSCGKSA-N 0 0 344.371 2.690 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162459840 473342813 /nfs/dbraw/zinc/34/28/13/473342813.db2.gz IJJKVJBQFOAMRQ-UHFFFAOYSA-N 0 0 331.376 2.618 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)n1 ZINC000611334933 469230141 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Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000057708779 472464311 /nfs/dbraw/zinc/46/43/11/472464311.db2.gz MQXLDAAGZHDWAL-OAHLLOKOSA-N 0 0 346.408 2.739 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000045807289 472467009 /nfs/dbraw/zinc/46/70/09/472467009.db2.gz LBPMOBATRPQFAR-AAEUAGOBSA-N 0 0 342.417 2.803 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H]2CCCC[C@H]21 ZINC000117616516 472472222 /nfs/dbraw/zinc/47/22/22/472472222.db2.gz VFKFBUZTPTZTJN-CABCVRRESA-N 0 0 338.791 2.961 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(CSCCO)ccn1 ZINC000154856373 472479104 /nfs/dbraw/zinc/47/91/04/472479104.db2.gz PELQSPCFUZVOBY-UHFFFAOYSA-N 0 0 347.396 2.776 10 5 EFBERN CCOC(=O)CC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000089656991 472481220 /nfs/dbraw/zinc/48/12/20/472481220.db2.gz ZTVMXWBJLKMJGI-MRVPVSSYSA-N 0 0 346.181 2.896 10 5 EFBERN CCC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000057856462 472485710 /nfs/dbraw/zinc/48/57/10/472485710.db2.gz FXSZMUVKJXCJMK-GFCCVEGCSA-N 0 0 341.433 2.649 10 5 EFBERN CCOC(=O)[C@]1(C)CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000154913904 472486074 /nfs/dbraw/zinc/48/60/74/472486074.db2.gz HCAHGIJAPWBKFK-OAHLLOKOSA-N 0 0 326.324 2.522 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000045935671 472487693 /nfs/dbraw/zinc/48/76/93/472487693.db2.gz DDZJLTAPYARWHU-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1cc(=O)n(Cc2ncc(-c3cccc(F)c3)o2)cc1[N+](=O)[O-] ZINC000128742309 472491113 /nfs/dbraw/zinc/49/11/13/472491113.db2.gz LHMDDVMJSROUPR-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000058198042 472516416 /nfs/dbraw/zinc/51/64/16/472516416.db2.gz DAJZLCYSJTVSHL-STQMWFEESA-N 0 0 336.413 2.722 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC(c2ccccc2)C1 ZINC000077393774 472519339 /nfs/dbraw/zinc/51/93/39/472519339.db2.gz BWTGNAJGOSZWEG-UHFFFAOYSA-N 0 0 332.381 2.819 10 5 EFBERN CCSCC[C@H](C)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155226656 472521763 /nfs/dbraw/zinc/52/17/63/472521763.db2.gz JFZUHMIEPTUCOY-LBPRGKRZSA-N 0 0 346.474 2.888 10 5 EFBERN CCSCC[C@@H](C)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155226555 472522463 /nfs/dbraw/zinc/52/24/63/472522463.db2.gz JFZUHMIEPTUCOY-GFCCVEGCSA-N 0 0 346.474 2.888 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000089881789 472531556 /nfs/dbraw/zinc/53/15/56/472531556.db2.gz GFJCBPYCJGDKFQ-SECBINFHSA-N 0 0 328.752 2.710 10 5 EFBERN Cc1sc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000046241653 472532189 /nfs/dbraw/zinc/53/21/89/472532189.db2.gz TUNYOTWSZDSGDC-UHFFFAOYSA-N 0 0 339.760 2.969 10 5 EFBERN C[C@H]1CC[C@@H](CO)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000119375715 472550033 /nfs/dbraw/zinc/55/00/33/472550033.db2.gz MQRNNNILOMMGIG-VHSXEESVSA-N 0 0 329.194 2.955 10 5 EFBERN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000058379156 472558470 /nfs/dbraw/zinc/55/84/70/472558470.db2.gz LUMYFCMJOCWBCW-DUVNUKRYSA-N 0 0 345.399 2.613 10 5 EFBERN Cn1ccnc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000119486997 472560622 /nfs/dbraw/zinc/56/06/22/472560622.db2.gz AEXQHWPYJAYMPX-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1CCOCC1 ZINC000119593554 472567915 /nfs/dbraw/zinc/56/79/15/472567915.db2.gz RPDUNQLFKJURQC-UHFFFAOYSA-N 0 0 329.150 2.722 10 5 EFBERN COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000058494705 472575870 /nfs/dbraw/zinc/57/58/70/472575870.db2.gz OUTFDJSDPNBLLS-UHFFFAOYSA-N 0 0 348.380 2.663 10 5 EFBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@H]2COC[C@@H]2C1 ZINC000620135385 479997303 /nfs/dbraw/zinc/99/73/03/479997303.db2.gz AVLBDKMFGIGVTA-KBPBESRZSA-N 0 0 348.402 2.790 10 5 EFBERN O=C(NCCc1nc2ccccc2[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130075316 472582614 /nfs/dbraw/zinc/58/26/14/472582614.db2.gz RQQLBUFXNZAIIN-UHFFFAOYSA-N 0 0 349.350 2.925 10 5 EFBERN Cc1noc([C@@H]2COCCN2Cc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000119838773 472589038 /nfs/dbraw/zinc/58/90/38/472589038.db2.gz HAIUTGFIBCAUEC-ZDUSSCGKSA-N 0 0 338.751 2.513 10 5 EFBERN C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)N1CCOCC1 ZINC000090070494 472589186 /nfs/dbraw/zinc/58/91/86/472589186.db2.gz QOBOXKYHMXQHMC-AWEZNQCLSA-N 0 0 342.399 2.789 10 5 EFBERN COCCOc1ncccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000102730519 472590579 /nfs/dbraw/zinc/59/05/79/472590579.db2.gz VGEIJPYOTNNKKT-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN CCOc1ccc(C(=O)NCCCCn2ccnc2C)cc1[N+](=O)[O-] ZINC000130278883 472594522 /nfs/dbraw/zinc/59/45/22/472594522.db2.gz MKENMJWATGTZDU-UHFFFAOYSA-N 0 0 346.387 2.709 10 5 EFBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCCN1c1ccccc1F ZINC000090149573 472603562 /nfs/dbraw/zinc/60/35/62/472603562.db2.gz DNLMVIPKHJHRPI-ZDUSSCGKSA-N 0 0 330.319 2.736 10 5 EFBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@H]2COC[C@H]2C1 ZINC000620137355 479998590 /nfs/dbraw/zinc/99/85/90/479998590.db2.gz JWDQRUAXZHNAMA-LSDHHAIUSA-N 0 0 348.402 2.790 10 5 EFBERN CC[C@H](NS(=O)(=O)CC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000090222771 472609757 /nfs/dbraw/zinc/60/97/57/472609757.db2.gz AJOPBPZGPIHHJT-CABCVRRESA-N 0 0 342.417 2.534 10 5 EFBERN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(O)c1 ZINC000130544402 472613098 /nfs/dbraw/zinc/61/30/98/472613098.db2.gz FSJVQNVUVOOMNO-VIFPVBQESA-N 0 0 329.312 2.804 10 5 EFBERN COc1cccc(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1O ZINC000071920129 472620142 /nfs/dbraw/zinc/62/01/42/472620142.db2.gz VQSGZOVKUSBPGM-UHFFFAOYSA-N 0 0 345.355 2.982 10 5 EFBERN CC(C)c1csc([C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)n1 ZINC000120042303 472621310 /nfs/dbraw/zinc/62/13/10/472621310.db2.gz RNWOMNGOBOGQGJ-JTQLQIEISA-N 0 0 349.416 2.918 10 5 EFBERN CC[C@H](NC(=O)CCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090466249 472622728 /nfs/dbraw/zinc/62/27/28/472622728.db2.gz VNAPVXLADVGENP-AWEZNQCLSA-N 0 0 345.355 2.575 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)NCC(C)(C)CO)cc2[N+](=O)[O-])C1 ZINC000120065652 472625430 /nfs/dbraw/zinc/62/54/30/472625430.db2.gz JRYMUGPTWWBJDB-CYBMUJFWSA-N 0 0 349.431 2.579 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSc1nncs1 ZINC000103375505 472628772 /nfs/dbraw/zinc/62/87/72/472628772.db2.gz AKWXZNOENDSFBX-QMMMGPOBSA-N 0 0 336.398 2.516 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(=Cc2ccccc2)CC1 ZINC000090551862 472635486 /nfs/dbraw/zinc/63/54/86/472635486.db2.gz ARHQQLBZYMTPPF-UHFFFAOYSA-N 0 0 339.395 2.936 10 5 EFBERN Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000072230551 472636400 /nfs/dbraw/zinc/63/64/00/472636400.db2.gz SRJFYXPEEAUFQI-JTQLQIEISA-N 0 0 331.376 2.506 10 5 EFBERN Cn1c2ccc(Cl)cc2[nH]c1=NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000060211204 472639954 /nfs/dbraw/zinc/63/99/54/472639954.db2.gz NSVXOUFFGRWDEP-UHFFFAOYSA-N 0 0 330.731 2.809 10 5 EFBERN Cc1nn(C)c2sc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)cc12 ZINC000155960912 472647124 /nfs/dbraw/zinc/64/71/24/472647124.db2.gz KRWGPJHSCFZBGL-UHFFFAOYSA-N 0 0 332.341 2.809 10 5 EFBERN COc1cc(-c2noc(Cn3c(C)ncc3[N+](=O)[O-])n2)ccc1C ZINC000120203995 472648797 /nfs/dbraw/zinc/64/87/97/472648797.db2.gz GCIOVZGPGNILIT-UHFFFAOYSA-N 0 0 329.316 2.515 10 5 EFBERN Cc1ccoc1C(=O)NCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000077995215 472650884 /nfs/dbraw/zinc/65/08/84/472650884.db2.gz KDFGIPMLAMHDOF-UHFFFAOYSA-N 0 0 338.751 2.777 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688028 472652105 /nfs/dbraw/zinc/65/21/05/472652105.db2.gz FJPAXLFUVVSFCE-ZFWWWQNUSA-N 0 0 349.387 2.641 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000120255584 472658074 /nfs/dbraw/zinc/65/80/74/472658074.db2.gz BXGSNNVMKKSDQL-HNNXBMFYSA-N 0 0 343.383 2.937 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCc2ccccc2OC)c1 ZINC000104460549 472672758 /nfs/dbraw/zinc/67/27/58/472672758.db2.gz JPFOGSKBJCAQEG-UHFFFAOYSA-N 0 0 344.367 2.927 10 5 EFBERN COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)nc1C ZINC000078232926 472678764 /nfs/dbraw/zinc/67/87/64/472678764.db2.gz MJIPGCMACXGREQ-UHFFFAOYSA-N 0 0 341.370 2.769 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000156253057 472683027 /nfs/dbraw/zinc/68/30/27/472683027.db2.gz MTGUONKHGRQUKI-UHFFFAOYSA-N 0 0 342.277 2.586 10 5 EFBERN Cc1c(CC(=O)N2CCC[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000120411574 472683693 /nfs/dbraw/zinc/68/36/93/472683693.db2.gz QSQFAYVZHDGURI-INIZCTEOSA-N 0 0 328.372 2.543 10 5 EFBERN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CCN(c2ccccc2)C1=O ZINC000078265594 472684694 /nfs/dbraw/zinc/68/46/94/472684694.db2.gz ARYQEVQCEFYZQC-AWEZNQCLSA-N 0 0 346.774 2.885 10 5 EFBERN Cc1ccc(NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)c(O)c1 ZINC000047296844 472686902 /nfs/dbraw/zinc/68/69/02/472686902.db2.gz OAWQHXPBPBXYCQ-UHFFFAOYSA-N 0 0 340.339 2.987 10 5 EFBERN O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000078293938 472688943 /nfs/dbraw/zinc/68/89/43/472688943.db2.gz LZDODFKEVULLBE-UHFFFAOYSA-N 0 0 338.319 2.854 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000061115509 472691269 /nfs/dbraw/zinc/69/12/69/472691269.db2.gz CJUIDYFQHRRGHO-UHFFFAOYSA-N 0 0 336.779 2.802 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000120465514 472693433 /nfs/dbraw/zinc/69/34/33/472693433.db2.gz WVTAAUGNCRUNEK-OAHLLOKOSA-N 0 0 348.380 2.635 10 5 EFBERN CNS(=O)(=O)c1ccc(N(C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078329802 472697442 /nfs/dbraw/zinc/69/74/42/472697442.db2.gz BKFRIBMBRMROKQ-LBPRGKRZSA-N 0 0 349.412 2.700 10 5 EFBERN CNS(=O)(=O)c1ccc(N(C)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078329806 472697615 /nfs/dbraw/zinc/69/76/15/472697615.db2.gz BKFRIBMBRMROKQ-GFCCVEGCSA-N 0 0 349.412 2.700 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)Cc2ccccc21 ZINC000078415878 472711109 /nfs/dbraw/zinc/71/11/09/472711109.db2.gz OFPVIMWCFRVRAB-UHFFFAOYSA-N 0 0 325.368 2.995 10 5 EFBERN Cc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)o1 ZINC000132280510 472726064 /nfs/dbraw/zinc/72/60/64/472726064.db2.gz QCDJJTRHVKYMSH-UHFFFAOYSA-N 0 0 342.348 2.764 10 5 EFBERN Cc1cc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000078518490 472727543 /nfs/dbraw/zinc/72/75/43/472727543.db2.gz CYBKHZYZZPTGLQ-LLVKDONJSA-N 0 0 345.321 2.798 10 5 EFBERN Cc1cc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000078518488 472728127 /nfs/dbraw/zinc/72/81/27/472728127.db2.gz CYBKHZYZZPTGLQ-NSHDSACASA-N 0 0 345.321 2.798 10 5 EFBERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000120729275 472736579 /nfs/dbraw/zinc/73/65/79/472736579.db2.gz XLVMZQQIVHSTDD-DOMZBBRYSA-N 0 0 344.371 2.537 10 5 EFBERN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCCO1 ZINC000120746882 472738962 /nfs/dbraw/zinc/73/89/62/472738962.db2.gz XQUMOGAGPKXYBU-LRDDRELGSA-N 0 0 333.388 2.836 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000072907244 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/nfs/dbraw/zinc/13/84/36/473138436.db2.gz FPQLSPGWXWBMMN-UHFFFAOYSA-N 0 0 334.353 2.933 10 5 EFBERN Cc1cc(CN2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000066696261 473139964 /nfs/dbraw/zinc/13/99/64/473139964.db2.gz KCCGRKDCQQKPIE-CQSZACIVSA-N 0 0 330.388 2.770 10 5 EFBERN CC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000052781765 473147119 /nfs/dbraw/zinc/14/71/19/473147119.db2.gz PFMLRLDVHYTQBR-LLVKDONJSA-N 0 0 328.390 2.557 10 5 EFBERN Cc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000066809975 473156494 /nfs/dbraw/zinc/15/64/94/473156494.db2.gz LSILPRLORFKYGU-QGZVFWFLSA-N 0 0 342.399 2.784 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCO[C@@H](c4ccccc4)C3)nn21 ZINC000160648194 473156833 /nfs/dbraw/zinc/15/68/33/473156833.db2.gz PLSUEVCCMUUBJY-UONOGXRCSA-N 0 0 339.355 2.970 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000123673436 473172704 /nfs/dbraw/zinc/17/27/04/473172704.db2.gz FOXHOKATKGDPHO-UHFFFAOYSA-N 0 0 331.376 2.618 10 5 EFBERN CCc1nn(C)c(NCCOc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000094156514 473182346 /nfs/dbraw/zinc/18/23/46/473182346.db2.gz WWOPVIOQZAJFOZ-UHFFFAOYSA-N 0 0 326.303 2.660 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC000111050499 473191558 /nfs/dbraw/zinc/19/15/58/473191558.db2.gz FASCLRUPKXHMCQ-WCQYABFASA-N 0 0 329.331 2.850 10 5 EFBERN CCc1ccc(C(=O)N(C)Cc2nc([C@H](C)OC)no2)cc1[N+](=O)[O-] ZINC000081382710 473193849 /nfs/dbraw/zinc/19/38/49/473193849.db2.gz ROVDEEVFDBEHNF-JTQLQIEISA-N 0 0 348.359 2.520 10 5 EFBERN O=[N+]([O-])c1ccc2nc(NCC3(O)CCSCC3)sc2c1 ZINC000095399245 473196223 /nfs/dbraw/zinc/19/62/23/473196223.db2.gz PBYJCXRWPPJGIV-UHFFFAOYSA-N 0 0 325.415 2.875 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000137339960 473203677 /nfs/dbraw/zinc/20/36/77/473203677.db2.gz YKKAPTVCPKUYDX-CMPLNLGQSA-N 0 0 331.376 2.618 10 5 EFBERN COc1cccc(N2CC[C@H](CNc3ccccn3)C2)c1[N+](=O)[O-] ZINC000185312175 473392310 /nfs/dbraw/zinc/39/23/10/473392310.db2.gz OBQNDGABTKFLCB-CYBMUJFWSA-N 0 0 328.372 2.937 10 5 EFBERN Cc1c(C(=O)Nc2cccc3c2OCC[C@H]3O)cccc1[N+](=O)[O-] ZINC000185353311 473402000 /nfs/dbraw/zinc/40/20/00/473402000.db2.gz GFCUZYYJLAPOGD-OAHLLOKOSA-N 0 0 328.324 2.971 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@@]1(CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000190885715 473419066 /nfs/dbraw/zinc/41/90/66/473419066.db2.gz XWHMYMFGMBBRND-WBVHZDCISA-N 0 0 335.404 2.992 10 5 EFBERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151196912 473424871 /nfs/dbraw/zinc/42/48/71/473424871.db2.gz BXIBUAQFRFETCX-RISCZKNCSA-N 0 0 331.376 2.518 10 5 EFBERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151196845 473425008 /nfs/dbraw/zinc/42/50/08/473425008.db2.gz BXIBUAQFRFETCX-FZMZJTMJSA-N 0 0 331.376 2.518 10 5 EFBERN CC[C@H](NC(=O)CN1CCCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000177794252 473437108 /nfs/dbraw/zinc/43/71/08/473437108.db2.gz ZZIQNOUYCMHDJC-HNNXBMFYSA-N 0 0 333.388 2.565 10 5 EFBERN CCCNC(=O)CCCC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177805015 473438871 /nfs/dbraw/zinc/43/88/71/473438871.db2.gz BYMKKXTXNNMRBB-OAHLLOKOSA-N 0 0 335.404 2.859 10 5 EFBERN CC[C@H](NC(=O)CCNC(=O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177808234 473438942 /nfs/dbraw/zinc/43/89/42/473438942.db2.gz DZZDTBOWZWSFIY-HNNXBMFYSA-N 0 0 335.404 2.715 10 5 EFBERN CC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000177803884 473439491 /nfs/dbraw/zinc/43/94/91/473439491.db2.gz UQBKDBGFZROZRE-XHDPSFHLSA-N 0 0 345.355 2.574 10 5 EFBERN CO[C@]1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1(C)C ZINC000125690843 473447376 /nfs/dbraw/zinc/44/73/76/473447376.db2.gz OVGYSHNLYXBTSE-UKRRQHHQSA-N 0 0 342.417 2.614 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000114282929 473448883 /nfs/dbraw/zinc/44/88/83/473448883.db2.gz HJJSLVLDCOOQKY-OAHLLOKOSA-N 0 0 325.368 2.928 10 5 EFBERN CC[C@H](NC(=O)C(=O)Nc1cccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000178057631 473463917 /nfs/dbraw/zinc/46/39/17/473463917.db2.gz STCVAAQXFLWOFA-AWEZNQCLSA-N 0 0 342.355 2.504 10 5 EFBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)c(Cl)c1 ZINC000163749058 473464437 /nfs/dbraw/zinc/46/44/37/473464437.db2.gz LYKPPOQOEKPHLC-SSDOTTSWSA-N 0 0 326.715 2.612 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2nnc(-c3ccccc3)s2)c1=O ZINC000125867397 473465759 /nfs/dbraw/zinc/46/57/59/473465759.db2.gz GYSGOYKFXCUXGQ-UHFFFAOYSA-N 0 0 328.353 2.632 10 5 EFBERN CC(C)N(CCc1nccs1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000151502738 473466582 /nfs/dbraw/zinc/46/65/82/473466582.db2.gz YKAXADSJUTXQDR-UHFFFAOYSA-N 0 0 348.428 2.943 10 5 EFBERN CCCN(CCc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178182548 473474072 /nfs/dbraw/zinc/47/40/72/473474072.db2.gz CNVQNXIASHHKAV-UHFFFAOYSA-N 0 0 328.372 2.667 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114483935 473475472 /nfs/dbraw/zinc/47/54/72/473475472.db2.gz IJNKQAPPQSEYKH-INIZCTEOSA-N 0 0 344.371 2.912 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cc([N+](=O)[O-])ccc1Cl ZINC000178299753 473485859 /nfs/dbraw/zinc/48/58/59/473485859.db2.gz DUPDNWBAXLVPJE-HUUCEWRRSA-N 0 0 332.743 2.636 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114615870 473487077 /nfs/dbraw/zinc/48/70/77/473487077.db2.gz AJNKFBVSMUIEOA-SFHVURJKSA-N 0 0 343.383 2.882 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178333196 473492767 /nfs/dbraw/zinc/49/27/67/473492767.db2.gz FXXLFDQNOVUDGZ-ZBFHGGJFSA-N 0 0 344.392 2.705 10 5 EFBERN Cc1nn(C)c(C)c1OCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000151833833 473498171 /nfs/dbraw/zinc/49/81/71/473498171.db2.gz SMTLYNLXJFZQNC-CYBMUJFWSA-N 0 0 347.371 2.937 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cccc(OC)c2[N+](=O)[O-])C12CCOCC2 ZINC000185735918 473501083 /nfs/dbraw/zinc/50/10/83/473501083.db2.gz UCNXYHXBQGVQQO-LSDHHAIUSA-N 0 0 336.388 2.990 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000165774426 473515580 /nfs/dbraw/zinc/51/55/80/473515580.db2.gz ADQADXLSSWZBMR-GFCCVEGCSA-N 0 0 338.360 2.992 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)c1[N+](=O)[O-] ZINC000126533267 473524664 /nfs/dbraw/zinc/52/46/64/473524664.db2.gz REMNXYCCWVTPAR-PWSUYJOCSA-N 0 0 344.371 2.565 10 5 EFBERN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000166529832 473528668 /nfs/dbraw/zinc/52/86/68/473528668.db2.gz NTVJYUVEDYDZCL-HOCLYGCPSA-N 0 0 343.431 2.956 10 5 EFBERN Cc1cnn(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000172125643 473529407 /nfs/dbraw/zinc/52/94/07/473529407.db2.gz QHGFLMRZGAGROU-UHFFFAOYSA-N 0 0 330.369 2.744 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(Cl)s2)c1 ZINC000178630179 473539563 /nfs/dbraw/zinc/53/95/63/473539563.db2.gz QPHJAZHVPATUSV-UHFFFAOYSA-N 0 0 346.817 2.929 10 5 EFBERN C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178651240 473541456 /nfs/dbraw/zinc/54/14/56/473541456.db2.gz NQEKAHDGLNRKGD-TZMCWYRMSA-N 0 0 326.418 2.841 10 5 EFBERN Cc1cc(N2CCc3ncccc3C2)nc(N2CCCC2)c1[N+](=O)[O-] ZINC000168159387 473541365 /nfs/dbraw/zinc/54/13/65/473541365.db2.gz BXGRRPFIJUHRSM-UHFFFAOYSA-N 0 0 339.399 2.856 10 5 EFBERN CCOc1ccc(OCC)c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191466380 473543520 /nfs/dbraw/zinc/54/35/20/473543520.db2.gz MDCDEGLBSWQDMX-UHFFFAOYSA-N 0 0 348.359 2.861 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C(F)(F)F)cc2)n1 ZINC000191477867 473543994 /nfs/dbraw/zinc/54/39/94/473543994.db2.gz UHTKVNBUDRBOMR-UHFFFAOYSA-N 0 0 342.277 2.760 10 5 EFBERN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000185931816 473550521 /nfs/dbraw/zinc/55/05/21/473550521.db2.gz JLXFOWJCRRJJRW-LSDHHAIUSA-N 0 0 349.387 2.691 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)C(C)C)c2)n1 ZINC000191524628 473550839 /nfs/dbraw/zinc/55/08/39/473550839.db2.gz ZQLUQNVAWHOMLS-UHFFFAOYSA-N 0 0 345.359 2.658 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2csc3ccccc23)n1 ZINC000191546427 473552665 /nfs/dbraw/zinc/55/26/65/473552665.db2.gz STRUTVRZSLISAB-UHFFFAOYSA-N 0 0 344.396 2.998 10 5 EFBERN CCc1nnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)[nH]1 ZINC000191544677 473552971 /nfs/dbraw/zinc/55/29/71/473552971.db2.gz FAHCUOFZBMAABQ-UHFFFAOYSA-N 0 0 343.387 2.604 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)F)c(F)c2)n1 ZINC000191552888 473554486 /nfs/dbraw/zinc/55/44/86/473554486.db2.gz YDSFZHSSVWOCQT-UHFFFAOYSA-N 0 0 344.249 2.804 10 5 EFBERN CCOc1cccc([C@@H](C)NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191579895 473556407 /nfs/dbraw/zinc/55/64/07/473556407.db2.gz GLOWCPMSSYLVPH-LLVKDONJSA-N 0 0 332.360 2.701 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2ccccc2F)n1 ZINC000191586923 473557778 /nfs/dbraw/zinc/55/77/78/473557778.db2.gz YITBXJCBLXIBHS-UHFFFAOYSA-N 0 0 334.351 2.658 10 5 EFBERN CCC[C@H](Cc1ccccc1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191596090 473558397 /nfs/dbraw/zinc/55/83/97/473558397.db2.gz KJTDRJMQEWVUNF-CQSZACIVSA-N 0 0 330.388 2.952 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2oc3ccccc3c2C)n1 ZINC000191617426 473560717 /nfs/dbraw/zinc/56/07/17/473560717.db2.gz UHTGPODPDFXGIA-UHFFFAOYSA-N 0 0 328.328 2.796 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)n1 ZINC000191626735 473561505 /nfs/dbraw/zinc/56/15/05/473561505.db2.gz ANVRIXAQLSSKJC-CYBMUJFWSA-N 0 0 330.388 2.823 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)n1 ZINC000191626718 473561523 /nfs/dbraw/zinc/56/15/23/473561523.db2.gz ANVRIXAQLSSKJC-ZDUSSCGKSA-N 0 0 330.388 2.823 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191624971 473561565 /nfs/dbraw/zinc/56/15/65/473561565.db2.gz MHZVRHXBYWYTQA-HUUCEWRRSA-N 0 0 342.399 2.952 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2OCC2CC2)n1 ZINC000191631574 473562347 /nfs/dbraw/zinc/56/23/47/473562347.db2.gz OIONNFDZNXNYCQ-UHFFFAOYSA-N 0 0 348.334 2.991 10 5 EFBERN COC(=O)CCN(Cc1ccccc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000178786214 473562417 /nfs/dbraw/zinc/56/24/17/473562417.db2.gz WRUOGPGEZUTBJR-UHFFFAOYSA-N 0 0 329.356 2.868 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Cl)c3)CC2)n1 ZINC000191631912 473562638 /nfs/dbraw/zinc/56/26/38/473562638.db2.gz VOMWZMOYJAELCW-UHFFFAOYSA-N 0 0 334.763 2.884 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)n1 ZINC000191636884 473562933 /nfs/dbraw/zinc/56/29/33/473562933.db2.gz VHTJFEOQCWXLFT-LBPRGKRZSA-N 0 0 343.387 2.544 10 5 EFBERN CN1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000191662743 473565086 /nfs/dbraw/zinc/56/50/86/473565086.db2.gz NXMVAXSNNAVIAC-UHFFFAOYSA-N 0 0 329.356 2.519 10 5 EFBERN CCO[C@@H]1C[C@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1(CC)CC ZINC000191655743 473565457 /nfs/dbraw/zinc/56/54/57/473565457.db2.gz DWPHPSSYJSZMTP-QWHCGFSZSA-N 0 0 338.408 2.525 10 5 EFBERN CN1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000191666034 473566751 /nfs/dbraw/zinc/56/67/51/473566751.db2.gz XQSZRICKYVIGJY-UHFFFAOYSA-N 0 0 329.356 2.519 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632582 473570258 /nfs/dbraw/zinc/57/02/58/473570258.db2.gz WQEJYSKWTLJFKM-UHFFFAOYSA-N 0 0 325.284 2.601 10 5 EFBERN CC(C)c1nnc2n1C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000178835348 473573901 /nfs/dbraw/zinc/57/39/01/473573901.db2.gz ATEXKLNAXLJLGU-SNVBAGLBSA-N 0 0 336.783 2.785 10 5 EFBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000191836592 473581173 /nfs/dbraw/zinc/58/11/73/473581173.db2.gz LJYIXAJYFJSIEN-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000191835973 473581226 /nfs/dbraw/zinc/58/12/26/473581226.db2.gz HQCVYKYNVFIRDJ-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN Cc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCO2)o1 ZINC000127277856 473595460 /nfs/dbraw/zinc/59/54/60/473595460.db2.gz OSRIZGXGLINICU-HNNXBMFYSA-N 0 0 334.303 2.849 10 5 EFBERN C[C@@H]1CCC[C@H](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000115725812 473598282 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EFBERN CC[C@@H](NC(=O)N(C)C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000186396946 473668115 /nfs/dbraw/zinc/66/81/15/473668115.db2.gz NJRZSQRGOMDWRC-NEPJUHHUSA-N 0 0 349.309 2.611 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)c1[N+](=O)[O-] ZINC000186457375 473676349 /nfs/dbraw/zinc/67/63/49/473676349.db2.gz CBZYZACHCBFOEP-VIFPVBQESA-N 0 0 348.407 2.631 10 5 EFBERN COc1ccc(F)cc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000186467977 473677970 /nfs/dbraw/zinc/67/79/70/473677970.db2.gz OMRJSVFXLMYSKK-UHFFFAOYSA-N 0 0 333.319 2.742 10 5 EFBERN CC(C)Cn1ccnc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172766608 473681745 /nfs/dbraw/zinc/68/17/45/473681745.db2.gz JAZNGNZPMKTHGY-UHFFFAOYSA-N 0 0 343.387 2.944 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](COC)c2ccccc2)c1[N+](=O)[O-] ZINC000172765631 473681863 /nfs/dbraw/zinc/68/18/63/473681863.db2.gz UALFYKFVHVCECC-AWEZNQCLSA-N 0 0 345.355 2.966 10 5 EFBERN CNC(=O)c1ccc(N[C@H](C)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC000172780800 473683806 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COc1cc(CN2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245545317 473718176 /nfs/dbraw/zinc/71/81/76/473718176.db2.gz TWRNIKWCQCJHEI-UKRRQHHQSA-N 0 0 336.388 2.755 10 5 EFBERN O=[N+]([O-])c1cccc(N2CCN(Cc3cnn4ccccc34)CC2)c1 ZINC000179860897 473743820 /nfs/dbraw/zinc/74/38/20/473743820.db2.gz ZACYMROAABBXNS-UHFFFAOYSA-N 0 0 337.383 2.565 10 5 EFBERN CCC1(CC)CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[S@]1=O ZINC000186745492 473746553 /nfs/dbraw/zinc/74/65/53/473746553.db2.gz YHNDCJNBLKUSSV-HSZRJFAPSA-N 0 0 338.429 2.667 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000186779519 473754821 /nfs/dbraw/zinc/75/48/21/473754821.db2.gz RPSSHFHJXWCOJX-UHFFFAOYSA-N 0 0 338.367 2.927 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000281589502 473775674 /nfs/dbraw/zinc/77/56/74/473775674.db2.gz XEOZTDWRIJDGRE-LBPRGKRZSA-N 0 0 338.408 2.678 10 5 EFBERN CCN(Cc1ccccn1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287849398 473775921 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Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287923083 473798423 /nfs/dbraw/zinc/79/84/23/473798423.db2.gz QIXFEUDFXMEOFH-AWEZNQCLSA-N 0 0 346.305 2.823 10 5 EFBERN O=[N+]([O-])c1c(N2CCC=C(Br)C2)nc2sccn21 ZINC000281658587 473798568 /nfs/dbraw/zinc/79/85/68/473798568.db2.gz OGVAISVFEFHYDV-UHFFFAOYSA-N 0 0 329.179 2.793 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1CCCC1 ZINC000281673148 473803077 /nfs/dbraw/zinc/80/30/77/473803077.db2.gz LXKNKRGHSMITNB-UHFFFAOYSA-N 0 0 349.387 2.629 10 5 EFBERN Cc1cc(N[C@@H]2CCC(=O)N[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000281722394 473817712 /nfs/dbraw/zinc/81/77/12/473817712.db2.gz VORJRSPPNAFNTN-PSASIEDQSA-N 0 0 342.193 2.745 10 5 EFBERN Cc1cnn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000193916827 473821127 /nfs/dbraw/zinc/82/11/27/473821127.db2.gz DRTJMAUXXRRVSX-HNNXBMFYSA-N 0 0 345.359 2.845 10 5 EFBERN CS[C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180195916 473824983 /nfs/dbraw/zinc/82/49/83/473824983.db2.gz AFFYSZKIJCVFRN-MRVPVSSYSA-N 0 0 338.838 2.586 10 5 EFBERN CCOc1cccc(CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1 ZINC000269567247 473835038 /nfs/dbraw/zinc/83/50/38/473835038.db2.gz OXJBHJNUKGALCJ-UHFFFAOYSA-N 0 0 346.387 2.813 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173451103 473843644 /nfs/dbraw/zinc/84/36/44/473843644.db2.gz DXKYXIPMMOMZAR-NSHDSACASA-N 0 0 330.388 2.615 10 5 EFBERN Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)no1 ZINC000180340932 473857280 /nfs/dbraw/zinc/85/72/80/473857280.db2.gz VSCGMYKQKDCMQC-UHFFFAOYSA-N 0 0 341.270 2.765 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194313411 473878673 /nfs/dbraw/zinc/87/86/73/473878673.db2.gz AISYUCNZDZJKSQ-NSHDSACASA-N 0 0 345.403 2.548 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173571371 473880530 /nfs/dbraw/zinc/88/05/30/473880530.db2.gz LNSFGKMMLOXLFF-MRXNPFEDSA-N 0 0 342.399 2.851 10 5 EFBERN Cc1cnn([C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000173573829 473882502 /nfs/dbraw/zinc/88/25/02/473882502.db2.gz XBNNYCAIQQIOJT-INIZCTEOSA-N 0 0 328.372 2.506 10 5 EFBERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)o1 ZINC000173614427 473889855 /nfs/dbraw/zinc/88/98/55/473889855.db2.gz XQRYMQGTWVZDAY-OCCSQVGLSA-N 0 0 346.387 2.947 10 5 EFBERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)o1 ZINC000173614448 473890296 /nfs/dbraw/zinc/89/02/96/473890296.db2.gz XQRYMQGTWVZDAY-JSGCOSHPSA-N 0 0 346.387 2.947 10 5 EFBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCCO1 ZINC000263882778 473891799 /nfs/dbraw/zinc/89/17/99/473891799.db2.gz CHQDKOOZVVXUGV-ZYHUDNBSSA-N 0 0 341.795 2.686 10 5 EFBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](c2ccco2)C1 ZINC000180579649 473911676 /nfs/dbraw/zinc/91/16/76/473911676.db2.gz YXMMDCMLGDCKRO-GXFFZTMASA-N 0 0 330.344 2.778 10 5 EFBERN COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1[N+](=O)[O-] ZINC000194543710 473915470 /nfs/dbraw/zinc/91/54/70/473915470.db2.gz BMBJKUFVBLYGAM-KBPBESRZSA-N 0 0 344.371 2.714 10 5 EFBERN CCc1cnc(CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])o1 ZINC000274710738 473930905 /nfs/dbraw/zinc/93/09/05/473930905.db2.gz XSOCKALALNFJAV-FNORWQNLSA-N 0 0 331.328 2.944 10 5 EFBERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187850076 473931177 /nfs/dbraw/zinc/93/11/77/473931177.db2.gz SSRAGFPCILYXMA-CQSZACIVSA-N 0 0 343.387 2.883 10 5 EFBERN CCOC(=O)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000194692497 473940172 /nfs/dbraw/zinc/94/01/72/473940172.db2.gz BXPARVKHCQZDHK-SNVBAGLBSA-N 0 0 326.374 2.523 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000282090643 473943150 /nfs/dbraw/zinc/94/31/50/473943150.db2.gz YJEWYYICQCOSDM-IAQYHMDHSA-N 0 0 337.376 2.882 10 5 EFBERN COC(=O)c1cc(C)nc(NCCOCCC(C)C)c1[N+](=O)[O-] ZINC000288472098 473952025 /nfs/dbraw/zinc/95/20/25/473952025.db2.gz OTFZOWUABOHECI-UHFFFAOYSA-N 0 0 325.365 2.559 10 5 EFBERN O=C(NCC1(CCO)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188016925 473956444 /nfs/dbraw/zinc/95/64/44/473956444.db2.gz HRRIHVORQUXBFV-UHFFFAOYSA-N 0 0 347.396 2.611 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000194807198 473956970 /nfs/dbraw/zinc/95/69/70/473956970.db2.gz REVFSRVHSGJQDJ-LBPRGKRZSA-N 0 0 334.372 2.707 10 5 EFBERN COC(=O)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000188041791 473959888 /nfs/dbraw/zinc/95/98/88/473959888.db2.gz NAHRNZVZIPAGMQ-RNCFNFMXSA-N 0 0 340.763 2.519 10 5 EFBERN CSc1cccc(C(=O)NCc2cccnc2N(C)C)c1[N+](=O)[O-] ZINC000188054441 473964219 /nfs/dbraw/zinc/96/42/19/473964219.db2.gz OFZCPZYKOAUDBC-UHFFFAOYSA-N 0 0 346.412 2.708 10 5 EFBERN CC(C)OC[C@@H](O)COc1ccc([N+](=O)[O-])cc1Br ZINC000270067634 473976186 /nfs/dbraw/zinc/97/61/86/473976186.db2.gz DLUYBJLUXBTPKO-SNVBAGLBSA-N 0 0 334.166 2.522 10 5 EFBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000188093582 473979830 /nfs/dbraw/zinc/97/98/30/473979830.db2.gz CQBAJPFOZRXXDB-ZDUSSCGKSA-N 0 0 327.340 2.739 10 5 EFBERN C[C@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cccnc1 ZINC000174069922 473982321 /nfs/dbraw/zinc/98/23/21/473982321.db2.gz CAJWJSVCRJYKTM-JTQLQIEISA-N 0 0 338.327 2.517 10 5 EFBERN COc1ccc(C)cc1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195163148 474020166 /nfs/dbraw/zinc/02/01/66/474020166.db2.gz IWNPQTJDDYTWOO-UHFFFAOYSA-N 0 0 329.356 2.588 10 5 EFBERN O=C(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000181294246 474022895 /nfs/dbraw/zinc/02/28/95/474022895.db2.gz KVZLYOAHBCLHDY-LJQANCHMSA-N 0 0 339.395 2.800 10 5 EFBERN CSc1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c1[N+](=O)[O-] ZINC000188243077 474032002 /nfs/dbraw/zinc/03/20/02/474032002.db2.gz HTUVZGPXAWQMEJ-CZUORRHYSA-N 0 0 344.392 2.705 10 5 EFBERN CC[C@@H](NCc1cc(=O)n2ccsc2n1)c1cccc([N+](=O)[O-])c1 ZINC000181528845 474045740 /nfs/dbraw/zinc/04/57/40/474045740.db2.gz ZVIKNXQSPMWQPY-CQSZACIVSA-N 0 0 344.396 2.905 10 5 EFBERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174475691 474048273 /nfs/dbraw/zinc/04/82/73/474048273.db2.gz NKFSZZPPOHRVTE-HNNXBMFYSA-N 0 0 348.403 2.768 10 5 EFBERN CO[C@@H](C)[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000188301111 474051092 /nfs/dbraw/zinc/05/10/92/474051092.db2.gz KHZNXGZGURFONG-KBPBESRZSA-N 0 0 349.431 2.984 10 5 EFBERN O=[N+]([O-])c1cc(-c2nc(C[C@H]3CCCO3)no2)ccc1-n1ccnc1 ZINC000264607870 474058329 /nfs/dbraw/zinc/05/83/29/474058329.db2.gz NEQLLRHLCDVQQV-GFCCVEGCSA-N 0 0 341.327 2.552 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H]1c2ccccc2NC1=O ZINC000195337146 474060183 /nfs/dbraw/zinc/06/01/83/474060183.db2.gz RIQMSELZJAJILL-LBPRGKRZSA-N 0 0 329.360 2.658 10 5 EFBERN O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000181889232 474068008 /nfs/dbraw/zinc/06/80/08/474068008.db2.gz PPXIOGPRNIJVAO-ZIAGYGMSSA-N 0 0 332.356 2.765 10 5 EFBERN CO[C@H](C)[C@H](C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000188365005 474070700 /nfs/dbraw/zinc/07/07/00/474070700.db2.gz SGCARSRETGAKLR-JGVFFNPUSA-N 0 0 331.166 2.511 10 5 EFBERN CO[C@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000188370725 474074284 /nfs/dbraw/zinc/07/42/84/474074284.db2.gz MPMQVJIJPWSBGN-JGVFFNPUSA-N 0 0 331.166 2.511 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C12CCOCC2 ZINC000613689630 480079760 /nfs/dbraw/zinc/07/97/60/480079760.db2.gz ZLRRRKDHVDPLNM-ZIAGYGMSSA-N 0 0 335.404 2.993 10 5 EFBERN O=C(c1ccccc1)N1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000195506779 474084911 /nfs/dbraw/zinc/08/49/11/474084911.db2.gz ALLXDBSXTZJJLX-UHFFFAOYSA-N 0 0 332.385 2.768 10 5 EFBERN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188405431 474085312 /nfs/dbraw/zinc/08/53/12/474085312.db2.gz XGMBWXOQXOLKFN-OAHLLOKOSA-N 0 0 348.380 2.705 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264683064 474087315 /nfs/dbraw/zinc/08/73/15/474087315.db2.gz XNTFHKJPTSUOIF-CYBMUJFWSA-N 0 0 328.372 2.558 10 5 EFBERN O=c1c(NCCCCc2ccc([N+](=O)[O-])cc2)nccn1C(F)F ZINC000288915007 474089670 /nfs/dbraw/zinc/08/96/70/474089670.db2.gz PAFRKMZIMSBVOA-UHFFFAOYSA-N 0 0 338.314 2.981 10 5 EFBERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)C1 ZINC000247227223 474092981 /nfs/dbraw/zinc/09/29/81/474092981.db2.gz RTBOWJOVVNYUBN-YNEHKIRRSA-N 0 0 346.383 2.852 10 5 EFBERN Cc1ccc(CS(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000288943884 474098773 /nfs/dbraw/zinc/09/87/73/474098773.db2.gz VCLHKNUMXKIBAR-UHFFFAOYSA-N 0 0 334.397 2.831 10 5 EFBERN CCOc1cnc(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000188452958 474099891 /nfs/dbraw/zinc/09/98/91/474099891.db2.gz BZOCGRBZQVQRQU-ZDUSSCGKSA-N 0 0 330.344 2.665 10 5 EFBERN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000270397530 474104173 /nfs/dbraw/zinc/10/41/73/474104173.db2.gz JKBJFLUSUZWOMA-PBHICJAKSA-N 0 0 334.372 2.755 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOC[C@@H]2CC(F)F)c1F ZINC000288967580 474104958 /nfs/dbraw/zinc/10/49/58/474104958.db2.gz ZOQPVIXSAOUJGM-JTQLQIEISA-N 0 0 332.278 2.539 10 5 EFBERN Cc1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000282543591 474105253 /nfs/dbraw/zinc/10/52/53/474105253.db2.gz RPXKLNZKAXZENM-SECBINFHSA-N 0 0 346.309 2.821 10 5 EFBERN Cc1cc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000174932216 474118660 /nfs/dbraw/zinc/11/86/60/474118660.db2.gz SOTZDGIVCQBKLB-LBPRGKRZSA-N 0 0 334.372 2.707 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCOc2ccccc21 ZINC000174998347 474128259 /nfs/dbraw/zinc/12/82/59/474128259.db2.gz YOCTVKPXRHAXMP-UHFFFAOYSA-N 0 0 348.380 2.799 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000175074345 474140089 /nfs/dbraw/zinc/14/00/89/474140089.db2.gz LEJSXWBBJGANKA-ZDUSSCGKSA-N 0 0 345.403 2.883 10 5 EFBERN CSCCCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175120802 474144548 /nfs/dbraw/zinc/14/45/48/474144548.db2.gz LDJUKZGNCGUVRD-UHFFFAOYSA-N 0 0 332.447 2.633 10 5 EFBERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000247434407 474146242 /nfs/dbraw/zinc/14/62/42/474146242.db2.gz NXDJGEANRLCQEF-REAQECSSSA-N 0 0 326.299 2.560 10 5 EFBERN COc1cc(CN2CCC(=O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000282690380 474156318 /nfs/dbraw/zinc/15/63/18/474156318.db2.gz AELUIUYHOWTUOJ-VIFPVBQESA-N 0 0 344.314 2.616 10 5 EFBERN CC(C)c1nnc2n1CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]2C ZINC000188769778 474189797 /nfs/dbraw/zinc/18/97/97/474189797.db2.gz JIJGBMQCOBHAON-NSHDSACASA-N 0 0 329.360 2.527 10 5 EFBERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247670177 474197979 /nfs/dbraw/zinc/19/79/79/474197979.db2.gz YLXZIKMQFIRCKA-IUIKQTSFSA-N 0 0 329.356 2.764 10 5 EFBERN CC(=O)c1ccc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])c1 ZINC000282806167 474202376 /nfs/dbraw/zinc/20/23/76/474202376.db2.gz IXDHDCOPDMCVEJ-PBHICJAKSA-N 0 0 348.399 2.777 10 5 EFBERN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)o1 ZINC000270745079 474247489 /nfs/dbraw/zinc/24/74/89/474247489.db2.gz GWJPALZHJKVLPZ-MFKMUULPSA-N 0 0 344.371 2.850 10 5 EFBERN CC(C)C(=O)NC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265549474 474251286 /nfs/dbraw/zinc/25/12/86/474251286.db2.gz QEXIKXATLJVRBQ-LLVKDONJSA-N 0 0 340.811 2.632 10 5 EFBERN NC(=O)c1ccc(CN(c2ncc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000265556890 474252653 /nfs/dbraw/zinc/25/26/53/474252653.db2.gz RNGXZLWCXHFDMD-UHFFFAOYSA-N 0 0 346.774 2.911 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000189005673 474262738 /nfs/dbraw/zinc/26/27/38/474262738.db2.gz WSYICYXJCGYUBL-AWEZNQCLSA-N 0 0 331.303 2.691 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000175631351 474268820 /nfs/dbraw/zinc/26/88/20/474268820.db2.gz RHUSXHAZSRPVCZ-CMPLNLGQSA-N 0 0 332.360 2.843 10 5 EFBERN CO[C@@H](C)c1nc(C)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000175658924 474275832 /nfs/dbraw/zinc/27/58/32/474275832.db2.gz OETAQQBOABRVHO-JTQLQIEISA-N 0 0 335.385 2.997 10 5 EFBERN O=c1ccccn1CCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000608785796 480092857 /nfs/dbraw/zinc/09/28/57/480092857.db2.gz XIQKEGFWICOXOY-UHFFFAOYSA-N 0 0 328.246 2.854 10 5 EFBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](O)C(F)(F)F ZINC000270826464 474283809 /nfs/dbraw/zinc/28/38/09/474283809.db2.gz FPPDDMQRHMWIPR-PWSUYJOCSA-N 0 0 345.277 2.508 10 5 EFBERN CC[C@@H](NC(=O)NCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000175705689 474286935 /nfs/dbraw/zinc/28/69/35/474286935.db2.gz NLFZZVMAAAXNRY-MRXNPFEDSA-N 0 0 328.372 2.983 10 5 EFBERN Cc1ccc([C@@H]2CSCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000270841345 474289414 /nfs/dbraw/zinc/28/94/14/474289414.db2.gz VPIXASWODVTKMY-AWEZNQCLSA-N 0 0 346.412 2.567 10 5 EFBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC000283073654 474293426 /nfs/dbraw/zinc/29/34/26/474293426.db2.gz KPGGOLUZCZTNDA-WFASDCNBSA-N 0 0 345.403 2.734 10 5 EFBERN C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000270855363 474296118 /nfs/dbraw/zinc/29/61/18/474296118.db2.gz YTIHOHJTIXDQSD-BONVTDFDSA-N 0 0 332.335 2.691 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183058638 474315987 /nfs/dbraw/zinc/31/59/87/474315987.db2.gz KMQQGGJNNOQKDA-CYBMUJFWSA-N 0 0 330.348 2.780 10 5 EFBERN Cc1nc([C@@H]2CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000189199887 474323663 /nfs/dbraw/zinc/32/36/63/474323663.db2.gz JXVMISZQZPISPJ-LBPRGKRZSA-N 0 0 332.385 2.800 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000248476598 474337001 /nfs/dbraw/zinc/33/70/01/474337001.db2.gz NVAWKGUMIHMFAW-BXUZGUMPSA-N 0 0 342.392 2.996 10 5 EFBERN C[C@H](COCc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175975274 474354764 /nfs/dbraw/zinc/35/47/64/474354764.db2.gz JBNIWBZCKHOVSP-CQSZACIVSA-N 0 0 343.383 2.999 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000183253570 474359988 /nfs/dbraw/zinc/35/99/88/474359988.db2.gz ARKCAUGLFXQTFR-KRWDZBQOSA-N 0 0 343.383 2.777 10 5 EFBERN CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC000283283944 474359921 /nfs/dbraw/zinc/35/99/21/474359921.db2.gz UOYPZWLLMHCXJZ-LLVKDONJSA-N 0 0 344.371 2.909 10 5 EFBERN CO[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000189346631 474367145 /nfs/dbraw/zinc/36/71/45/474367145.db2.gz AXVFJXJFVZZSGA-NORZTCDRSA-N 0 0 335.404 2.587 10 5 EFBERN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC000275952940 474370357 /nfs/dbraw/zinc/37/03/57/474370357.db2.gz QHAVMFIQMWLLCQ-KOMQPUFPSA-N 0 0 335.404 2.549 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000183367195 474376545 /nfs/dbraw/zinc/37/65/45/474376545.db2.gz AWBGZISRFVBXPR-HOTGVXAUSA-N 0 0 340.445 2.691 10 5 EFBERN COc1ccc(N(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000271037131 474378899 /nfs/dbraw/zinc/37/88/99/474378899.db2.gz QGYZVVMXJIKKAS-LLVKDONJSA-N 0 0 344.371 2.782 10 5 EFBERN C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H]1C ZINC000248623977 474382228 /nfs/dbraw/zinc/38/22/28/474382228.db2.gz DXMMPWHXZJYNRG-RYUDHWBXSA-N 0 0 349.412 2.952 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)N(Cc1ccoc1)C1CCCCC1 ZINC000265924168 474387538 /nfs/dbraw/zinc/38/75/38/474387538.db2.gz MWYLJPFHXDHQFP-UHFFFAOYSA-N 0 0 332.360 2.746 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183582568 474394515 /nfs/dbraw/zinc/39/45/15/474394515.db2.gz DDPDVLWCGXQTLK-ZDUSSCGKSA-N 0 0 344.375 2.709 10 5 EFBERN CC[C@@H](NC(=O)c1cnc([C@H](C)O)s1)c1cccc([N+](=O)[O-])c1 ZINC000283418468 474397828 /nfs/dbraw/zinc/39/78/28/474397828.db2.gz MBWAVIBYBNJGNY-JOYOIKCWSA-N 0 0 335.385 2.986 10 5 EFBERN O=C(NCc1ccn(C2CCCC2)n1)Nc1ccncc1[N+](=O)[O-] ZINC000183624357 474403119 /nfs/dbraw/zinc/40/31/19/474403119.db2.gz KCLQXSCPPGVKTB-UHFFFAOYSA-N 0 0 330.348 2.623 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1Cn1ccnc1 ZINC000176185510 474404010 /nfs/dbraw/zinc/40/40/10/474404010.db2.gz LWPCXJAFZFKQPH-GFCCVEGCSA-N 0 0 334.763 2.750 10 5 EFBERN 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CC(C)(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(O)c1 ZINC000337673685 475225848 /nfs/dbraw/zinc/22/58/48/475225848.db2.gz YUGLIIRHBKXXDP-UHFFFAOYSA-N 0 0 330.344 2.827 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cnc(C3CC3)nc2)c1 ZINC000339461665 475228700 /nfs/dbraw/zinc/22/87/00/475228700.db2.gz JLDMBIHNTOHOCY-UHFFFAOYSA-N 0 0 326.356 2.543 10 5 EFBERN O=C(NCCc1cnc(C2CC2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000339462850 475230196 /nfs/dbraw/zinc/23/01/96/475230196.db2.gz BUQZFLNNPJYJEH-UHFFFAOYSA-N 0 0 346.774 2.888 10 5 EFBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000296229363 475231258 /nfs/dbraw/zinc/23/12/58/475231258.db2.gz XETAEQIBJCDFJR-SWLSCSKDSA-N 0 0 342.417 2.709 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(cc1OC)OCO2 ZINC000352385276 475240067 /nfs/dbraw/zinc/24/00/67/475240067.db2.gz DYCIELALCYYCSD-UHFFFAOYSA-N 0 0 346.295 2.593 10 5 EFBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000357900177 475243866 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COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(CC2CC2)nc1 ZINC000341767587 475285250 /nfs/dbraw/zinc/28/52/50/475285250.db2.gz MUKHPRHWPTYCJD-UHFFFAOYSA-N 0 0 328.328 2.598 10 5 EFBERN C[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)c1ccccc1[N+](=O)[O-] ZINC000341777271 475293836 /nfs/dbraw/zinc/29/38/36/475293836.db2.gz VLTSRTFALWGJHO-GFCCVEGCSA-N 0 0 339.355 2.610 10 5 EFBERN CCCCN(Cc1ccccc1F)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357963732 475298168 /nfs/dbraw/zinc/29/81/68/475298168.db2.gz KHOSISSUJHKXBU-UHFFFAOYSA-N 0 0 334.351 2.910 10 5 EFBERN CCN1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000341782631 475298662 /nfs/dbraw/zinc/29/86/62/475298662.db2.gz IIPVWIZOUGLQAB-NSHDSACASA-N 0 0 333.388 2.699 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000339554813 475303142 /nfs/dbraw/zinc/30/31/42/475303142.db2.gz YXALTXKRUXNSJR-VKTRGTBVSA-N 0 0 347.396 2.527 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3cc(C)[nH]n3)CC2)c1 ZINC000347415864 475308914 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EFBERN CCOc1ccccc1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000341819068 475328390 /nfs/dbraw/zinc/32/83/90/475328390.db2.gz FGRMCNRRKSSAAD-UHFFFAOYSA-N 0 0 345.355 2.518 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000352472775 475328783 /nfs/dbraw/zinc/32/87/83/475328783.db2.gz KAFXNAFOBXXEJG-GHMZBOCLSA-N 0 0 342.417 2.706 10 5 EFBERN CC(C)n1ccc(=NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[nH]1 ZINC000361297793 475334914 /nfs/dbraw/zinc/33/49/14/475334914.db2.gz ANWSSKUPBSAKSL-UHFFFAOYSA-N 0 0 340.286 2.648 10 5 EFBERN Nc1nc(N[C@H]2COc3c2ccc(Cl)c3Cl)ncc1[N+](=O)[O-] ZINC000361299316 475336603 /nfs/dbraw/zinc/33/66/03/475336603.db2.gz MTPLDENYEKVSBN-ZETCQYMHSA-N 0 0 342.142 2.650 10 5 EFBERN Nc1nc(N[C@@H]2COc3c2ccc(Cl)c3Cl)ncc1[N+](=O)[O-] ZINC000361299314 475337267 /nfs/dbraw/zinc/33/72/67/475337267.db2.gz MTPLDENYEKVSBN-SSDOTTSWSA-N 0 0 342.142 2.650 10 5 EFBERN CCNc1ccc(C(=O)N2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341832954 475339301 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C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000354724601 475359849 /nfs/dbraw/zinc/35/98/49/475359849.db2.gz DQDWPJVGCLZREP-JHJVBQTASA-N 0 0 343.387 2.682 10 5 EFBERN Cc1cc2sc(NC(=O)c3nn(C)cc3[N+](=O)[O-])nc2cc1F ZINC000358048548 475361802 /nfs/dbraw/zinc/36/18/02/475361802.db2.gz OLLDTJRTEQLQBM-UHFFFAOYSA-N 0 0 335.320 2.638 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(-c3cc(-n4ccnc4)ccn3)n2)c1 ZINC000345682597 475362354 /nfs/dbraw/zinc/36/23/54/475362354.db2.gz BKTHCPUDYMPELA-UHFFFAOYSA-N 0 0 334.295 2.893 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(OC)c(F)c3)no2)n1 ZINC000345703700 475380568 /nfs/dbraw/zinc/38/05/68/475380568.db2.gz BMHWNXXRQOQATL-UHFFFAOYSA-N 0 0 347.306 2.600 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])NCCCNc1ccccc1F ZINC000345720029 475393346 /nfs/dbraw/zinc/39/33/46/475393346.db2.gz LWIKNHORRIKSOB-UHFFFAOYSA-N 0 0 346.362 2.764 10 5 EFBERN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352540171 475393526 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O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@]2(CCCOC2)C1 ZINC000368545148 476355577 /nfs/dbraw/zinc/35/55/77/476355577.db2.gz LTQDHJQFDKBFDL-KRWDZBQOSA-N 0 0 329.356 2.529 10 5 EFBERN CC[C@@H]1C[C@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000351192828 476355854 /nfs/dbraw/zinc/35/58/54/476355854.db2.gz HMEMUSCEBOPWEV-MWLCHTKSSA-N 0 0 326.316 2.739 10 5 EFBERN C[C@@H]1COCC[C@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000362714985 476363715 /nfs/dbraw/zinc/36/37/15/476363715.db2.gz GYHZYFOLISFKKA-RNFRBKRXSA-N 0 0 349.206 2.574 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000363435075 476381638 /nfs/dbraw/zinc/38/16/38/476381638.db2.gz FJXOCDVBCAHSSQ-GFCCVEGCSA-N 0 0 342.307 2.635 10 5 EFBERN CCc1cc(NC(=O)C2CCC(=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360780645 476381933 /nfs/dbraw/zinc/38/19/33/476381933.db2.gz KMIQADDITAPZLW-UHFFFAOYSA-N 0 0 341.367 2.825 10 5 EFBERN Cc1c(Cc2noc([C@H](C)c3cncnc3)n2)cccc1[N+](=O)[O-] ZINC000351257844 476383168 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2.679 10 5 EFBERN C[C@@H]1C[C@H](c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)CCO1 ZINC000357476519 476406529 /nfs/dbraw/zinc/40/65/29/476406529.db2.gz BHQJJQHQCLLYRF-RKDXNWHRSA-N 0 0 333.300 2.656 10 5 EFBERN CCCN1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)CC1=O ZINC000351321158 476409672 /nfs/dbraw/zinc/40/96/72/476409672.db2.gz YEHHQXZCDONLSX-LBPRGKRZSA-N 0 0 330.344 2.679 10 5 EFBERN CCCN1C[C@H](c2noc(-c3cc([N+](=O)[O-])ccc3C)n2)CC1=O ZINC000351319999 476409982 /nfs/dbraw/zinc/40/99/82/476409982.db2.gz XDDHXZBRCWPLQO-LLVKDONJSA-N 0 0 330.344 2.679 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000354079030 476411172 /nfs/dbraw/zinc/41/11/72/476411172.db2.gz BMCURKLCEIWBJB-AWEZNQCLSA-N 0 0 335.404 2.740 10 5 EFBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2cn(C3CCC3)nn2)n1 ZINC000351332181 476413568 /nfs/dbraw/zinc/41/35/68/476413568.db2.gz PLHJXGWBZNYHGY-UHFFFAOYSA-N 0 0 326.316 2.552 10 5 EFBERN C[C@@H]1C[C@@]2(CCO1)CN(c1ncc([N+](=O)[O-])cc1Cl)C[C@H](C)O2 ZINC000373729429 476422934 /nfs/dbraw/zinc/42/29/34/476422934.db2.gz MSLQVJWPXRDNRF-ZETOZRRWSA-N 0 0 341.795 2.806 10 5 EFBERN Cc1cccc(CN(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000362819181 476425200 /nfs/dbraw/zinc/42/52/00/476425200.db2.gz XMNAJNMYYQYWOK-UHFFFAOYSA-N 0 0 335.310 2.778 10 5 EFBERN CCc1ccc(-c2nc([C@@H]3CC(=O)N(CC)C3)no2)cc1[N+](=O)[O-] ZINC000351389113 476434803 /nfs/dbraw/zinc/43/48/03/476434803.db2.gz LCLMWBVVIKBXOF-GFCCVEGCSA-N 0 0 330.344 2.543 10 5 EFBERN CCN1C[C@@H](c2noc(-c3ccc(SC)c([N+](=O)[O-])c3)n2)CC1=O ZINC000351393008 476437010 /nfs/dbraw/zinc/43/70/10/476437010.db2.gz VYFODXMGFFRCCY-JTQLQIEISA-N 0 0 348.384 2.703 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(CCO)CCCCC1 ZINC000354120214 476440744 /nfs/dbraw/zinc/44/07/44/476440744.db2.gz SBENSOSVUPBLSG-UHFFFAOYSA-N 0 0 340.807 2.992 10 5 EFBERN C[C@@H]1C[C@]2(CCO1)CN(Cc1csc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374015535 476448480 /nfs/dbraw/zinc/44/84/80/476448480.db2.gz WBPWVEBFGKWLOT-TYNCELHUSA-N 0 0 326.418 2.815 10 5 EFBERN CCN1C[C@H](c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000351422667 476450481 /nfs/dbraw/zinc/45/04/81/476450481.db2.gz FLPWBADPECUVML-KWCYVHTRSA-N 0 0 342.355 2.585 10 5 EFBERN COCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000362870968 476455109 /nfs/dbraw/zinc/45/51/09/476455109.db2.gz AYCSYMAJASXHGX-LLVKDONJSA-N 0 0 343.767 2.517 10 5 EFBERN CCN1C[C@@H](c2noc(/C(C)=C/c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000351440591 476458880 /nfs/dbraw/zinc/45/88/80/476458880.db2.gz QHQUQERNZKMSPI-YKWSONSWSA-N 0 0 342.355 2.874 10 5 EFBERN CCN1C[C@H](c2noc(/C(C)=C/c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000351440590 476459338 /nfs/dbraw/zinc/45/93/38/476459338.db2.gz QHQUQERNZKMSPI-RUNBWSAHSA-N 0 0 342.355 2.874 10 5 EFBERN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1OCCO ZINC000360892429 476459724 /nfs/dbraw/zinc/45/97/24/476459724.db2.gz KPURSDOXHJBFRU-UHFFFAOYSA-N 0 0 334.303 2.666 10 5 EFBERN CC(C)C[C@@H](CCO)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362882963 476461323 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EFBERN Cc1nc2c(s1)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)CCC2 ZINC000374731306 476506430 /nfs/dbraw/zinc/50/64/30/476506430.db2.gz JLDFMQJJQGNZLP-LLVKDONJSA-N 0 0 332.385 2.749 10 5 EFBERN CC(C)[C@@H](O)C(C)(C)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362966098 476507045 /nfs/dbraw/zinc/50/70/45/476507045.db2.gz JOXLBVMAXPZZEM-OAHLLOKOSA-N 0 0 344.358 2.575 10 5 EFBERN O=C(c1ccoc1C(F)(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362981578 476513042 /nfs/dbraw/zinc/51/30/42/476513042.db2.gz CCVCUBUIRICZEK-UHFFFAOYSA-N 0 0 341.245 2.800 10 5 EFBERN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])no1 ZINC000374775735 476522883 /nfs/dbraw/zinc/52/28/83/476522883.db2.gz DFVOZFQNCYKWGA-SNVBAGLBSA-N 0 0 348.363 2.582 10 5 EFBERN Cc1n[nH]c(C(=O)NCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000354235302 476527765 /nfs/dbraw/zinc/52/77/65/476527765.db2.gz FMVOARVCMZIECF-UHFFFAOYSA-N 0 0 329.143 2.863 10 5 EFBERN COC(=O)c1cnc(N[C@@H](C)Cc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000357687662 476538708 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Cn1cc([C@@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)cn1 ZINC000364971854 476553889 /nfs/dbraw/zinc/55/38/89/476553889.db2.gz FYEIFRUCSHWTCG-SECBINFHSA-N 0 0 341.293 2.736 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000374850065 476554394 /nfs/dbraw/zinc/55/43/94/476554394.db2.gz JJOLOAQPYAMPRP-GFCCVEGCSA-N 0 0 345.330 2.610 10 5 EFBERN O=[N+]([O-])c1cnccc1NCCc1ccccc1OC(F)(F)F ZINC000361042168 476561259 /nfs/dbraw/zinc/56/12/59/476561259.db2.gz IVVIXYJCGKPGKR-UHFFFAOYSA-N 0 0 327.262 2.965 10 5 EFBERN CCN(C[C@H](C)OC)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000361042955 476562670 /nfs/dbraw/zinc/56/26/70/476562670.db2.gz CQWYCJFHVYEVDV-VIFPVBQESA-N 0 0 332.303 2.693 10 5 EFBERN CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000365465526 476580506 /nfs/dbraw/zinc/58/05/06/476580506.db2.gz JENSYIMYMRMBMK-RHSMWYFYSA-N 0 0 349.387 2.705 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000361071473 476581941 /nfs/dbraw/zinc/58/19/41/476581941.db2.gz APFOMEQASMTVKZ-LLVKDONJSA-N 0 0 341.375 2.873 10 5 EFBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000369912749 476587188 /nfs/dbraw/zinc/58/71/88/476587188.db2.gz OTKJGQQTKWTNMP-PHIMTYICSA-N 0 0 342.804 2.730 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@@H](c2nc[nH]n2)c2ccccc2)cc1F ZINC000374916014 476593074 /nfs/dbraw/zinc/59/30/74/476593074.db2.gz RCPXKXPHMQEETD-OAHLLOKOSA-N 0 0 327.319 2.731 10 5 EFBERN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000374929714 476600185 /nfs/dbraw/zinc/60/01/85/476600185.db2.gz QCFHXEVURFHSMK-FZMZJTMJSA-N 0 0 344.371 2.560 10 5 EFBERN COc1cc(CNc2ccccc2SCC(N)=O)ccc1[N+](=O)[O-] ZINC000352281196 476608838 /nfs/dbraw/zinc/60/88/38/476608838.db2.gz SYCKVFPBYSSHNG-UHFFFAOYSA-N 0 0 347.396 2.793 10 5 EFBERN CCc1nn(C)c(N2CCC[C@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000369972506 476612178 /nfs/dbraw/zinc/61/21/78/476612178.db2.gz GYAZZBNKXDUNRX-GOSISDBHSA-N 0 0 342.399 2.917 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C2CC2)C1 ZINC000354379639 476623385 /nfs/dbraw/zinc/62/33/85/476623385.db2.gz BZKADBUCWUVCLW-CQSZACIVSA-N 0 0 345.399 2.744 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC)C(F)(F)F ZINC000354397914 476637043 /nfs/dbraw/zinc/63/70/43/476637043.db2.gz FQEKJMRXVXMHTI-NSHDSACASA-N 0 0 347.293 2.553 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000375026948 476644649 /nfs/dbraw/zinc/64/46/49/476644649.db2.gz HHVUGPLPJJPABX-UHFFFAOYSA-N 0 0 332.743 2.592 10 5 EFBERN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cn1 ZINC000365631865 476655856 /nfs/dbraw/zinc/65/58/56/476655856.db2.gz BFIHJOVZWBJMBI-ZBFHGGJFSA-N 0 0 327.340 2.640 10 5 EFBERN O=C(C1CCC(F)(F)CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370093596 476666210 /nfs/dbraw/zinc/66/62/10/476666210.db2.gz SVOGYVYPVUWGAK-UHFFFAOYSA-N 0 0 342.346 2.780 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NCc1ccnc(-n2ccnc2)c1 ZINC000378030231 476674964 /nfs/dbraw/zinc/67/49/64/476674964.db2.gz ANKBVTKYTRZTCY-UHFFFAOYSA-N 0 0 339.355 2.934 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000375122782 476681894 /nfs/dbraw/zinc/68/18/94/476681894.db2.gz DFBWCSUKPVHXCS-CYBMUJFWSA-N 0 0 336.388 2.882 10 5 EFBERN COCC[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000370162800 476682386 /nfs/dbraw/zinc/68/23/86/476682386.db2.gz PODHSNVWMCLMGV-NSHDSACASA-N 0 0 339.367 2.595 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CCC3(C)C)n1 ZINC000421630863 476688394 /nfs/dbraw/zinc/68/83/94/476688394.db2.gz KQHMKNNFMPIEHY-UHFFFAOYSA-N 0 0 335.389 2.744 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cccc(-n2cccn2)c1 ZINC000354499870 476689162 /nfs/dbraw/zinc/68/91/62/476689162.db2.gz DKEXMTJSBWFTOY-UHFFFAOYSA-N 0 0 330.731 2.644 10 5 EFBERN Cc1c(NCC(=O)N2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000429786215 476689723 /nfs/dbraw/zinc/68/97/23/476689723.db2.gz SZTGGOPBGSTCFB-UHFFFAOYSA-N 0 0 342.193 2.700 10 5 EFBERN C/C=C/C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000413703361 476697855 /nfs/dbraw/zinc/69/78/55/476697855.db2.gz UIQDONNRTQCYMS-AJKRFXKHSA-N 0 0 346.383 2.712 10 5 EFBERN O=C(CCC(=O)N1CCC[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000456704812 476700775 /nfs/dbraw/zinc/70/07/75/476700775.db2.gz YPBCNVNHLRJOEV-SFHVURJKSA-N 0 0 346.383 2.587 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)C2CN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000354516181 476702288 /nfs/dbraw/zinc/70/22/88/476702288.db2.gz SFWSTNLTHPJEHJ-JTQLQIEISA-N 0 0 345.321 2.575 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CCOC3)C2)c1 ZINC000456708072 476702204 /nfs/dbraw/zinc/70/22/04/476702204.db2.gz GMXNFFOSKXQSNC-INIZCTEOSA-N 0 0 336.413 2.959 10 5 EFBERN CC(C)n1ncc2c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000375177132 476704084 /nfs/dbraw/zinc/70/40/84/476704084.db2.gz QFLUARKCSRLDBL-ZDUSSCGKSA-N 0 0 329.360 2.575 10 5 EFBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H]1CCc1ccccc1 ZINC000354526038 476709917 /nfs/dbraw/zinc/70/99/17/476709917.db2.gz MJTWOVFFCRBKCN-AWEZNQCLSA-N 0 0 328.372 2.945 10 5 EFBERN CC1(C2(NC(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC2)CC1 ZINC000456722692 476710058 /nfs/dbraw/zinc/71/00/58/476710058.db2.gz YVNWAWGLQHZACX-UHFFFAOYSA-N 0 0 326.356 2.843 10 5 EFBERN O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000354531779 476713095 /nfs/dbraw/zinc/71/30/95/476713095.db2.gz YBDIQWGGISRBEK-KOLCDFICSA-N 0 0 343.305 2.853 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000354533019 476714938 /nfs/dbraw/zinc/71/49/38/476714938.db2.gz MYACSOJXPKVFOR-ZDUSSCGKSA-N 0 0 333.731 2.815 10 5 EFBERN COc1ccc(NC(=O)[C@H]2CCCN2c2ncc([N+](=O)[O-])s2)cc1 ZINC000370242820 476717608 /nfs/dbraw/zinc/71/76/08/476717608.db2.gz TVOLZAIGTRDILD-GFCCVEGCSA-N 0 0 348.384 2.667 10 5 EFBERN CN(Cc1cnnn1Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000430008670 476735425 /nfs/dbraw/zinc/73/54/25/476735425.db2.gz PZMJOYMYGUJBNP-UHFFFAOYSA-N 0 0 337.383 2.867 10 5 EFBERN Cc1cc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)nc2ccccc12 ZINC000445405442 476739253 /nfs/dbraw/zinc/73/92/53/476739253.db2.gz SMDIZOQYORJTAP-UHFFFAOYSA-N 0 0 336.311 2.746 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000370289068 476741316 /nfs/dbraw/zinc/74/13/16/476741316.db2.gz PXRSWGAIUHFPOC-INIZCTEOSA-N 0 0 330.319 2.514 10 5 EFBERN O=[N+]([O-])c1c(N2CC[C@@H](c3nc(C4CC4)no3)C2)nc2sccn21 ZINC000375255561 476741361 /nfs/dbraw/zinc/74/13/61/476741361.db2.gz YEDISSIWLOHHJU-SECBINFHSA-N 0 0 346.372 2.558 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@](CO)(c3ccccc3)C2)n1 ZINC000370289565 476742019 /nfs/dbraw/zinc/74/20/19/476742019.db2.gz RWBKGDXOERQHHC-GOSISDBHSA-N 0 0 327.384 2.829 10 5 EFBERN C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1csnn1 ZINC000413815310 476744980 /nfs/dbraw/zinc/74/49/80/476744980.db2.gz QDWUULNPNNMQIO-SECBINFHSA-N 0 0 335.389 2.742 10 5 EFBERN Cc1ccc(/C=C/Cc2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1 ZINC000445577585 476751383 /nfs/dbraw/zinc/75/13/83/476751383.db2.gz TVVPFKDMKPQANA-ONEGZZNKSA-N 0 0 325.328 2.943 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\c3cnccn3)n2)c1 ZINC000445584422 476751965 /nfs/dbraw/zinc/75/19/65/476751965.db2.gz ODSMLZUVGRZAJB-DJWKRKHSSA-N 0 0 339.311 2.538 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nnc(SC)s2)c1 ZINC000445654849 476757344 /nfs/dbraw/zinc/75/73/44/476757344.db2.gz CCWYCYJMUXNCFK-UHFFFAOYSA-N 0 0 340.386 2.567 10 5 EFBERN CCC(C)(C)Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000445717782 476761684 /nfs/dbraw/zinc/76/16/84/476761684.db2.gz ITROAUKCHMHHJV-UHFFFAOYSA-N 0 0 346.387 2.815 10 5 EFBERN Cc1cc(OCC(=O)N[C@H]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000430125771 476762647 /nfs/dbraw/zinc/76/26/47/476762647.db2.gz UPBXOETWGHQYBH-INIZCTEOSA-N 0 0 340.379 2.956 10 5 EFBERN C[C@@]1(c2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000370345767 476766133 /nfs/dbraw/zinc/76/61/33/476766133.db2.gz SYMLJIIRAPJNLA-GOSISDBHSA-N 0 0 325.368 2.981 10 5 EFBERN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413859228 476767451 /nfs/dbraw/zinc/76/74/51/476767451.db2.gz MULCSQMPRDEEFO-ZIAGYGMSSA-N 0 0 336.388 2.615 10 5 EFBERN COCC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000456870911 476770604 /nfs/dbraw/zinc/77/06/04/476770604.db2.gz PMRKCHRFUBFKPI-UHFFFAOYSA-N 0 0 342.342 2.739 10 5 EFBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cncn1Cc1ccccc1)CC2 ZINC000445816427 476773271 /nfs/dbraw/zinc/77/32/71/476773271.db2.gz WDZNRYOVGMQAQM-UHFFFAOYSA-N 0 0 349.394 2.793 10 5 EFBERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000413875518 476775321 /nfs/dbraw/zinc/77/53/21/476775321.db2.gz AWHIAEPJNITGEY-SJORKVTESA-N 0 0 326.352 2.945 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@H](C3CCC3)C2)c1 ZINC000413887717 476780129 /nfs/dbraw/zinc/78/01/29/476780129.db2.gz XOCDZFMSYICJCP-QGZVFWFLSA-N 0 0 348.399 2.700 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@H](C3CCC3)C2)c1 ZINC000413887716 476780576 /nfs/dbraw/zinc/78/05/76/476780576.db2.gz XOCDZFMSYICJCP-KRWDZBQOSA-N 0 0 348.399 2.700 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCC(=O)Nc2ccccc21 ZINC000430203303 476781332 /nfs/dbraw/zinc/78/13/32/476781332.db2.gz DWSXONIOLWSYRK-UHFFFAOYSA-N 0 0 327.340 2.952 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@]2(C)CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000375326707 476781815 /nfs/dbraw/zinc/78/18/15/476781815.db2.gz LRLAJYQQIAATQL-QGZVFWFLSA-N 0 0 333.388 2.747 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC12CCCC2 ZINC000430223403 476783157 /nfs/dbraw/zinc/78/31/57/476783157.db2.gz HVCZMLTYBYAZBU-OAHLLOKOSA-N 0 0 341.367 2.971 10 5 EFBERN Cc1c(C(=O)N[C@H]2CC23CCCC3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000430225125 476784993 /nfs/dbraw/zinc/78/49/93/476784993.db2.gz XFOQTTHXEXMYEZ-AWEZNQCLSA-N 0 0 341.371 2.546 10 5 EFBERN O=C(N[C@@H]1CC12CCCC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000430243527 476791329 /nfs/dbraw/zinc/79/13/29/476791329.db2.gz UUEQUYULHUBCTD-CQSZACIVSA-N 0 0 327.340 2.911 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]3(CCSC3)C2)s1 ZINC000452056756 476799507 /nfs/dbraw/zinc/79/95/07/476799507.db2.gz UVDCZLDEWHSERF-GFCCVEGCSA-N 0 0 348.471 2.564 10 5 EFBERN CCOc1ccc(NC(=O)CN2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430278945 476801053 /nfs/dbraw/zinc/80/10/53/476801053.db2.gz RQBZLOVGNMXJGS-GFCCVEGCSA-N 0 0 333.388 2.830 10 5 EFBERN COC[C@@](C)(NC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000446031521 476809445 /nfs/dbraw/zinc/80/94/45/476809445.db2.gz MYGPVJGGBBFMSI-CYBMUJFWSA-N 0 0 334.294 2.611 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](c2ccccc2)C1 ZINC000456993433 476820638 /nfs/dbraw/zinc/82/06/38/476820638.db2.gz NWSVYQRBKFTPQW-KRWDZBQOSA-N 0 0 325.368 2.690 10 5 EFBERN CCn1ccnc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000414010968 476831961 /nfs/dbraw/zinc/83/19/61/476831961.db2.gz PJIGPXYKCGPLMA-UHFFFAOYSA-N 0 0 338.751 2.872 10 5 EFBERN Cc1c(CC(=O)N2CCN[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000457030143 476837350 /nfs/dbraw/zinc/83/73/50/476837350.db2.gz RSRZLPIWCGRBOL-QGZVFWFLSA-N 0 0 339.395 2.619 10 5 EFBERN COC[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000457048988 476845872 /nfs/dbraw/zinc/84/58/72/476845872.db2.gz URRRXVQQOKHBKO-CQSZACIVSA-N 0 0 335.404 2.672 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(=O)Cc1ccccc1 ZINC000446225732 476847633 /nfs/dbraw/zinc/84/76/33/476847633.db2.gz JFOTUQIXLIHLGS-ZDUSSCGKSA-N 0 0 326.352 2.833 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](COC)CC1 ZINC000457061669 476853556 /nfs/dbraw/zinc/85/35/56/476853556.db2.gz UDIFLDLZKKAIKB-CYBMUJFWSA-N 0 0 336.388 2.882 10 5 EFBERN CC(C)[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000446317009 476859527 /nfs/dbraw/zinc/85/95/27/476859527.db2.gz BGJATXMTAXQJBG-CQSZACIVSA-N 0 0 328.372 2.899 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000414063090 476859968 /nfs/dbraw/zinc/85/99/68/476859968.db2.gz XMDMFNLVNIDOKJ-CMPLNLGQSA-N 0 0 326.780 2.838 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000446332064 476862434 /nfs/dbraw/zinc/86/24/34/476862434.db2.gz OKZFCWKKZNCJOA-LBPRGKRZSA-N 0 0 326.780 2.790 10 5 EFBERN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000366117538 476868160 /nfs/dbraw/zinc/86/81/60/476868160.db2.gz FDNWVBNDJNCOAG-CXAGYDPISA-N 0 0 341.367 2.900 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000366122369 476871664 /nfs/dbraw/zinc/87/16/64/476871664.db2.gz ZNTGPAVXMCBJRS-SMDDNHRTSA-N 0 0 347.396 2.780 10 5 EFBERN COc1cc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)ccc1[N+](=O)[O-] ZINC000414183016 476874652 /nfs/dbraw/zinc/87/46/52/476874652.db2.gz DOZULSOXHAGPAG-MRXNPFEDSA-N 0 0 339.351 2.771 10 5 EFBERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452181233 476874866 /nfs/dbraw/zinc/87/48/66/476874866.db2.gz HWSYAEWTKXYJSN-QWHCGFSZSA-N 0 0 344.367 2.732 10 5 EFBERN Cc1nc(N2CCC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370568668 476877096 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O=C(c1ccc([N+](=O)[O-])cn1)N1CC(Cc2ccccc2Cl)C1 ZINC000370584717 476883258 /nfs/dbraw/zinc/88/32/58/476883258.db2.gz UZVVSQJVEFTDJQ-UHFFFAOYSA-N 0 0 331.759 2.958 10 5 EFBERN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OCCO)c1 ZINC000446578362 476889084 /nfs/dbraw/zinc/88/90/84/476889084.db2.gz RKSUPAIMURJPQR-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc(OCCO)c1 ZINC000446584024 476890344 /nfs/dbraw/zinc/89/03/44/476890344.db2.gz FOKFGYFBQYSKCM-UHFFFAOYSA-N 0 0 334.303 2.666 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCCOCC1 ZINC000375554348 476892654 /nfs/dbraw/zinc/89/26/54/476892654.db2.gz RZIVRDROKUOSHM-UHFFFAOYSA-N 0 0 344.165 2.612 10 5 EFBERN CC(=O)c1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)s1 ZINC000414878388 476894367 /nfs/dbraw/zinc/89/43/67/476894367.db2.gz ZNVLXBFCQGWYEP-QMMMGPOBSA-N 0 0 331.353 2.845 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1NCCCn1cc(Br)cn1 ZINC000401174603 476897563 /nfs/dbraw/zinc/89/75/63/476897563.db2.gz 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O=[N+]([O-])c1ccc(CN2CCC(Oc3cnccn3)CC2)cc1F ZINC000366994056 477289756 /nfs/dbraw/zinc/28/97/56/477289756.db2.gz GIMNWWYPCRMOKO-UHFFFAOYSA-N 0 0 332.335 2.567 10 5 EFBERN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)OC(C)(C)C ZINC000424106123 477293404 /nfs/dbraw/zinc/29/34/04/477293404.db2.gz LMYCVNNAXHIFHK-LLVKDONJSA-N 0 0 339.392 2.657 10 5 EFBERN Nc1c(C(=O)NC2CCC(C(F)F)CC2)cc(F)cc1[N+](=O)[O-] ZINC000458159121 477294114 /nfs/dbraw/zinc/29/41/14/477294114.db2.gz HQZZWBJZUWSRCL-UHFFFAOYSA-N 0 0 331.294 2.870 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])NC1CCC(C(F)F)CC1 ZINC000458168808 477300060 /nfs/dbraw/zinc/30/00/60/477300060.db2.gz RYXZNFIRKNBHID-UHFFFAOYSA-N 0 0 327.331 2.947 10 5 EFBERN O=[N+]([O-])c1ccn(CCN[C@@H](c2cc(F)ccc2F)C(F)F)n1 ZINC000434678309 477336974 /nfs/dbraw/zinc/33/69/74/477336974.db2.gz FHFSTPGQPGIDKD-LBPRGKRZSA-N 0 0 332.257 2.666 10 5 EFBERN O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458329545 477353884 /nfs/dbraw/zinc/35/38/84/477353884.db2.gz IJIOESIISBQZTD-WDSKDSINSA-N 0 0 349.231 2.749 10 5 EFBERN Cc1ccc([C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000376499467 477365555 /nfs/dbraw/zinc/36/55/55/477365555.db2.gz GDXYLIXBXCWQMF-OAHLLOKOSA-N 0 0 325.368 2.996 10 5 EFBERN CC[C@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000435824661 477376959 /nfs/dbraw/zinc/37/69/59/477376959.db2.gz HZJKNJDTLLYRQZ-ZDUSSCGKSA-N 0 0 346.387 2.835 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000371558795 477385531 /nfs/dbraw/zinc/38/55/31/477385531.db2.gz BUBIBCRTXWAYKX-OAHLLOKOSA-N 0 0 337.339 2.541 10 5 EFBERN COc1ccc2c(c1)OCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000367236990 477408268 /nfs/dbraw/zinc/40/82/68/477408268.db2.gz JNGFWYJPFACLNU-UHFFFAOYSA-N 0 0 342.351 2.947 10 5 EFBERN CC1=C[C@H](C)CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436023921 477408718 /nfs/dbraw/zinc/40/87/18/477408718.db2.gz QLPXRAAWNSSCCR-LBPRGKRZSA-N 0 0 326.356 2.819 10 5 EFBERN 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EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000600426958 478372347 /nfs/dbraw/zinc/37/23/47/478372347.db2.gz VQGGFAMUUMFLMC-CYBMUJFWSA-N 0 0 346.362 2.876 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc([C@H](C)O)c(C)n1 ZINC000521395113 478374982 /nfs/dbraw/zinc/37/49/82/478374982.db2.gz KRXXPWALYZLYMR-NSHDSACASA-N 0 0 345.355 2.750 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000600438138 478375633 /nfs/dbraw/zinc/37/56/33/478375633.db2.gz BRORUYBEPXJIBN-YWDSYVAPSA-N 0 0 336.388 2.924 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600437823 478375834 /nfs/dbraw/zinc/37/58/34/478375834.db2.gz AFLQVGDDIXYJAB-SPGKTFTMSA-N 0 0 331.372 2.547 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000600438135 478375912 /nfs/dbraw/zinc/37/59/12/478375912.db2.gz BRORUYBEPXJIBN-YMEQNVIZSA-N 0 0 336.388 2.924 10 5 EFBERN 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XXOHZYVPUIETOV-DAYGRLMNSA-N 0 0 346.383 2.535 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000594471791 478401908 /nfs/dbraw/zinc/40/19/08/478401908.db2.gz PMEJELYFZDFXMZ-UHFFFAOYSA-N 0 0 347.396 2.694 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)CCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000600531326 478403060 /nfs/dbraw/zinc/40/30/60/478403060.db2.gz AKXQSFHRHNWKHB-KRWDZBQOSA-N 0 0 334.372 2.680 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)c1csc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000600534900 478403960 /nfs/dbraw/zinc/40/39/60/478403960.db2.gz HZWXAZVIZGGUBY-INIZCTEOSA-N 0 0 348.380 2.783 10 5 EFBERN C=C/C(C)=C/CC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600533358 478404679 /nfs/dbraw/zinc/40/46/79/478404679.db2.gz FPCFHKGOTIAQTK-XLNAKTSKSA-N 0 0 332.356 2.622 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)C1=CC[C@H](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600535931 478404745 /nfs/dbraw/zinc/40/47/45/478404745.db2.gz KGDVYZUOVOJJEN-SGTLLEGYSA-N 0 0 346.383 2.846 10 5 EFBERN CCCC[C@@H](C)C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600537472 478405330 /nfs/dbraw/zinc/40/53/30/478405330.db2.gz NKLAFVXIBJVTFT-PXAZEXFGSA-N 0 0 336.388 2.926 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCc3cccnc32)c1 ZINC000594486419 478406864 /nfs/dbraw/zinc/40/68/64/478406864.db2.gz ZOPSOFPZWHMYQX-UHFFFAOYSA-N 0 0 347.396 2.748 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCCCO1 ZINC000594487167 478407019 /nfs/dbraw/zinc/40/70/19/478407019.db2.gz LECLAMMZMQAOEV-PWSUYJOCSA-N 0 0 348.446 2.591 10 5 EFBERN Cc1nc(C(F)(F)F)nn1CC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600548626 478411257 /nfs/dbraw/zinc/41/12/57/478411257.db2.gz OKVIJHMNUUQTGE-UHFFFAOYSA-N 0 0 332.213 2.536 10 5 EFBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1ccccc1OC1CC1 ZINC000600554064 478413923 /nfs/dbraw/zinc/41/39/23/478413923.db2.gz QGACYHCDMXMULG-UHFFFAOYSA-N 0 0 343.364 2.956 10 5 EFBERN CO[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000597571400 478415264 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EFBERN CN1C(=O)CC[C@H]1CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000597630132 478441185 /nfs/dbraw/zinc/44/11/85/478441185.db2.gz CQDDCAXOBRGOKB-LBPRGKRZSA-N 0 0 333.388 2.842 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)c2cnc3n2CCOC3)cc1[N+](=O)[O-] ZINC000597633368 478443111 /nfs/dbraw/zinc/44/31/11/478443111.db2.gz XWUZQTGJXFZKJD-UHFFFAOYSA-N 0 0 344.371 2.871 10 5 EFBERN CC(C)Oc1nc(N2CCC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000594574701 478444142 /nfs/dbraw/zinc/44/41/42/478444142.db2.gz HYFQIQRUYCRYAP-JTQLQIEISA-N 0 0 331.319 2.985 10 5 EFBERN CC(C)Oc1nc(N2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000594574702 478444740 /nfs/dbraw/zinc/44/47/40/478444740.db2.gz HYFQIQRUYCRYAP-SNVBAGLBSA-N 0 0 331.319 2.985 10 5 EFBERN C[C@@H](C(=O)N1NC(=O)CC12CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000597648454 478446068 /nfs/dbraw/zinc/44/60/68/478446068.db2.gz FKEOEJPXLSHPRC-GFCCVEGCSA-N 0 0 331.372 2.665 10 5 EFBERN CC(C)CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc2c1=O)C1CC1 ZINC000570801231 478449973 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478457924 /nfs/dbraw/zinc/45/79/24/478457924.db2.gz HWBLRIZBBYIXOG-GFCCVEGCSA-N 0 0 331.376 2.566 10 5 EFBERN CNC(=O)c1ccc(N2C[C@@H](C)OC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000594599763 478459298 /nfs/dbraw/zinc/45/92/98/478459298.db2.gz MTTMGAMHDYGFAB-CYBMUJFWSA-N 0 0 347.415 2.882 10 5 EFBERN CC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594599970 478459307 /nfs/dbraw/zinc/45/93/07/478459307.db2.gz KVRCFTFZQOGRFG-ONGXEEELSA-N 0 0 348.446 2.819 10 5 EFBERN COc1c(C(=O)NCc2oc(C(C)C)nc2C)cccc1[N+](=O)[O-] ZINC000597684126 478462026 /nfs/dbraw/zinc/46/20/26/478462026.db2.gz HQYMHSHLVCGARN-UHFFFAOYSA-N 0 0 333.344 2.953 10 5 EFBERN COC(=O)c1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000597689748 478465863 /nfs/dbraw/zinc/46/58/63/478465863.db2.gz WEEHMPUGTRWCGW-UHFFFAOYSA-N 0 0 346.339 2.948 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2ccc(C)nc2OC)c1 ZINC000600678112 478465877 /nfs/dbraw/zinc/46/58/77/478465877.db2.gz LTYIESXVAGQRAX-UHFFFAOYSA-N 0 0 332.312 2.672 10 5 EFBERN Cc1ccsc1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600681084 478467574 /nfs/dbraw/zinc/46/75/74/478467574.db2.gz CPUBDHMTUJHRAS-MRXNPFEDSA-N 0 0 345.380 2.932 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CC3CCC2CC3)C1=O ZINC000600690808 478471095 /nfs/dbraw/zinc/47/10/95/478471095.db2.gz LSOOOVBDJSIZDT-ICPAZYFDSA-N 0 0 343.383 2.941 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC2=CCCC2)C1=O ZINC000600689597 478471587 /nfs/dbraw/zinc/47/15/87/478471587.db2.gz HBGFIPZFPCTPPH-KRWDZBQOSA-N 0 0 329.356 2.862 10 5 EFBERN C[C@H]1CC[C@H](N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000600696731 478472948 /nfs/dbraw/zinc/47/29/48/478472948.db2.gz QUTANEHLGVSXAT-BNLOLNQZSA-N 0 0 331.372 2.941 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@@H]2CCCCS2)C1=O ZINC000600698113 478474460 /nfs/dbraw/zinc/47/44/60/478474460.db2.gz UVKGOKQSWVIVDO-XJKSGUPXSA-N 0 0 349.412 2.648 10 5 EFBERN COCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC ZINC000600706974 478477175 /nfs/dbraw/zinc/47/71/75/478477175.db2.gz HNLNESUMTJAWPX-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN CSC1(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000600704635 478477917 /nfs/dbraw/zinc/47/79/17/478477917.db2.gz MWRMDHARVSNWHJ-HNNXBMFYSA-N 0 0 349.412 2.648 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCCC2(F)F)C1=O ZINC000600713010 478481035 /nfs/dbraw/zinc/48/10/35/478481035.db2.gz LMLYTMUFUVQDHH-RISCZKNCSA-N 0 0 339.298 2.550 10 5 EFBERN O=C1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000591169426 478482970 /nfs/dbraw/zinc/48/29/70/478482970.db2.gz YEOWCZSLZRLMMU-ABAIWWIYSA-N 0 0 326.356 2.708 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000597730081 478484247 /nfs/dbraw/zinc/48/42/47/478484247.db2.gz WVDZHTHPKRRNEX-CQSZACIVSA-N 0 0 344.371 2.759 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597729683 478484745 /nfs/dbraw/zinc/48/47/45/478484745.db2.gz MWBNLZAPJQHPHT-CQSZACIVSA-N 0 0 334.763 2.878 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]2c2cn[nH]c2)c1 ZINC000597730080 478484758 /nfs/dbraw/zinc/48/47/58/478484758.db2.gz WVDZHTHPKRRNEX-AWEZNQCLSA-N 0 0 344.371 2.759 10 5 EFBERN C[C@H](C(=O)N1CCC[C@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000597729517 478484770 /nfs/dbraw/zinc/48/47/70/478484770.db2.gz KMYAARRKJWJTAA-BONVTDFDSA-N 0 0 332.335 2.924 10 5 EFBERN COc1ccc(C[N@H+](CCc2ccccc2)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000591269580 478503878 /nfs/dbraw/zinc/50/38/78/478503878.db2.gz DORKUIFIGIIOKE-UHFFFAOYSA-N 0 0 344.367 2.733 10 5 EFBERN COc1cc(CNc2cccc3c2CCN(C)C3=O)ccc1[N+](=O)[O-] ZINC000594707185 478505062 /nfs/dbraw/zinc/50/50/62/478505062.db2.gz JZGYKBWDZXRMFC-UHFFFAOYSA-N 0 0 341.367 2.844 10 5 EFBERN COC[C@@H](CNc1cc(Br)cc([N+](=O)[O-])c1C)OC ZINC000594707426 478505780 /nfs/dbraw/zinc/50/57/80/478505780.db2.gz MYMCYJHPZNNZOU-SNVBAGLBSA-N 0 0 333.182 2.739 10 5 EFBERN Cc1nn(CCC(=O)N2CC(Cc3cccs3)C2)c(C)c1[N+](=O)[O-] ZINC000600765340 478511208 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10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H]1c1ccsc1 ZINC000594746988 478527546 /nfs/dbraw/zinc/52/75/46/478527546.db2.gz AYRRACCFHADRQV-LLVKDONJSA-N 0 0 339.398 2.577 10 5 EFBERN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C2CC2)cn1 ZINC000600811041 478530201 /nfs/dbraw/zinc/53/02/01/478530201.db2.gz LSBXMQTUDJSTLD-INIZCTEOSA-N 0 0 342.355 2.583 10 5 EFBERN CC(C)(C)c1ccc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594752083 478530378 /nfs/dbraw/zinc/53/03/78/478530378.db2.gz IWUWQNZTGQXPEQ-UHFFFAOYSA-N 0 0 349.412 2.766 10 5 EFBERN C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000594752137 478530452 /nfs/dbraw/zinc/53/04/52/478530452.db2.gz KXLIQDSFUGMDPS-SECBINFHSA-N 0 0 340.323 2.603 10 5 EFBERN CCN(Cc1ccc(C)cc1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752508 478530789 /nfs/dbraw/zinc/53/07/89/478530789.db2.gz QPJOAJSLSLLYCW-UHFFFAOYSA-N 0 0 335.385 2.509 10 5 EFBERN C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000594754692 478531989 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478711099 /nfs/dbraw/zinc/71/10/99/478711099.db2.gz PNACFVMUWRVUAR-LBPRGKRZSA-N 0 0 340.351 2.580 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000564222397 478711589 /nfs/dbraw/zinc/71/15/89/478711589.db2.gz KBQGWTWPRYVMDJ-TZMCWYRMSA-N 0 0 338.404 2.909 10 5 EFBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595279615 478711593 /nfs/dbraw/zinc/71/15/93/478711593.db2.gz SFYIUKNGQVBGLS-HDICACEKSA-N 0 0 346.383 2.686 10 5 EFBERN CC(C)O[C@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601185230 478712323 /nfs/dbraw/zinc/71/23/23/478712323.db2.gz RZORPXFDQHHIFX-VIFPVBQESA-N 0 0 336.314 2.741 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000564239896 478713358 /nfs/dbraw/zinc/71/33/58/478713358.db2.gz OWHIJOPXNXRAFL-UHFFFAOYSA-N 0 0 345.355 2.913 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@H]2C(F)(F)F)c(Br)c1 ZINC000601188036 478713569 /nfs/dbraw/zinc/71/35/69/478713569.db2.gz AULYKUINYNHVIY-ZETCQYMHSA-N 0 0 326.072 2.893 10 5 EFBERN COc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)C2 ZINC000598223175 478714124 /nfs/dbraw/zinc/71/41/24/478714124.db2.gz HPSUJWASEPIWNY-UHFFFAOYSA-N 0 0 327.340 2.505 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000598222916 478714492 /nfs/dbraw/zinc/71/44/92/478714492.db2.gz DZVANMXJMDHFNW-RVKKMQEKSA-N 0 0 332.400 2.658 10 5 EFBERN C[C@]12COC[C@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000598225269 478715481 /nfs/dbraw/zinc/71/54/81/478715481.db2.gz BMWXLYGGQPLFHO-BZNIZROVSA-N 0 0 332.381 2.918 10 5 EFBERN CN(CC(=O)Nc1ccc2c(c1)CCOC2)c1ccccc1[N+](=O)[O-] ZINC000598226350 478716099 /nfs/dbraw/zinc/71/60/99/478716099.db2.gz IMODQEKIMDJRIJ-UHFFFAOYSA-N 0 0 341.367 2.742 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598228814 478716664 /nfs/dbraw/zinc/71/66/64/478716664.db2.gz HZUVVLNVLFWPMD-QGZVFWFLSA-N 0 0 344.342 2.877 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)CCOC3)c1[N+](=O)[O-] ZINC000598228631 478716926 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2.502 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)nc1 ZINC000601209121 478724231 /nfs/dbraw/zinc/72/42/31/478724231.db2.gz BWOZUNPTKREGEQ-CYZMBNFOSA-N 0 0 347.172 2.898 10 5 EFBERN COC(=O)[C@@]1(C)CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000601212727 478725904 /nfs/dbraw/zinc/72/59/04/478725904.db2.gz RSZYYOHYFGGPQL-GTNSWQLSSA-N 0 0 329.356 2.778 10 5 EFBERN COC(=O)[C@@]1(C)CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000601212018 478726606 /nfs/dbraw/zinc/72/66/06/478726606.db2.gz FACVWRGLOCEJGF-GTNSWQLSSA-N 0 0 329.356 2.778 10 5 EFBERN COC(=O)C(C)(C)CSc1ncnc2sc([N+](=O)[O-])cc21 ZINC000601212820 478726874 /nfs/dbraw/zinc/72/68/74/478726874.db2.gz PAJBLRWWRUJLDP-UHFFFAOYSA-N 0 0 327.387 2.891 10 5 EFBERN CC(C)(C)OC(=O)C1(CNc2ncccc2[N+](=O)[O-])CCOCC1 ZINC000591970356 478729154 /nfs/dbraw/zinc/72/91/54/478729154.db2.gz AXZBJKXWTSTHGF-UHFFFAOYSA-N 0 0 337.376 2.540 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3cccnc3)C2)n1 ZINC000601217118 478729093 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EFBERN COC[C@@]1(C(=O)OC(C)(C)C)CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000601227608 478734528 /nfs/dbraw/zinc/73/45/28/478734528.db2.gz GCIHAGRQVVASAB-OAHLLOKOSA-N 0 0 342.417 2.841 10 5 EFBERN C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601226496 478734645 /nfs/dbraw/zinc/73/46/45/478734645.db2.gz SWOKOZPRDKIOEA-UHIISALHSA-N 0 0 344.371 2.537 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000591988343 478734922 /nfs/dbraw/zinc/73/49/22/478734922.db2.gz RSUNBQPDRAFJCL-DTORHVGOSA-N 0 0 344.209 2.932 10 5 EFBERN CC(C)(CNc1nccc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCOC1 ZINC000591988560 478735376 /nfs/dbraw/zinc/73/53/76/478735376.db2.gz UPXOGFBTBQJXMR-KRWDZBQOSA-N 0 0 331.372 2.733 10 5 EFBERN CC(C)(CNc1nccc2c1cccc2[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000591988577 478735829 /nfs/dbraw/zinc/73/58/29/478735829.db2.gz UWVROWYBXUAQSF-QGZVFWFLSA-N 0 0 331.372 2.733 10 5 EFBERN CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CCCCN(C)C1=O ZINC000601229249 478735894 /nfs/dbraw/zinc/73/58/94/478735894.db2.gz JYTFGKSXNYZAKR-INIZCTEOSA-N 0 0 328.372 2.590 10 5 EFBERN COC[C@@]1(C(=O)OC(C)(C)C)CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000601228914 478736430 /nfs/dbraw/zinc/73/64/30/478736430.db2.gz ZRGVBXOVJJLVGQ-OAHLLOKOSA-N 0 0 342.417 2.841 10 5 EFBERN CC(C)(CNc1ccc([N+](=O)[O-])c2cccnc12)[C@@]1(O)CCOC1 ZINC000591988930 478737098 /nfs/dbraw/zinc/73/70/98/478737098.db2.gz XCILGENHWAJWKM-QGZVFWFLSA-N 0 0 331.372 2.733 10 5 EFBERN CN(c1ccnc2c1cccc2[N+](=O)[O-])[C@H]1CCCCN(C)C1=O ZINC000601229686 478737153 /nfs/dbraw/zinc/73/71/53/478737153.db2.gz XTDUSNLSRJTAEH-HNNXBMFYSA-N 0 0 328.372 2.590 10 5 EFBERN CC[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000601234584 478738541 /nfs/dbraw/zinc/73/85/41/478738541.db2.gz WOUCMNTUQOUGQQ-HNNXBMFYSA-N 0 0 342.779 2.776 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000601233022 478739397 /nfs/dbraw/zinc/73/93/97/478739397.db2.gz WSDOARJXWCSKSH-UHFFFAOYSA-N 0 0 343.387 2.729 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3C[C@@H](CO)[C@H](C(F)(F)F)C3)ccc2c1 ZINC000601237651 478740442 /nfs/dbraw/zinc/74/04/42/478740442.db2.gz JRIZHOISEPCFPZ-CMPLNLGQSA-N 0 0 341.289 2.750 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H](O)C(F)(F)F ZINC000601237265 478740524 /nfs/dbraw/zinc/74/05/24/478740524.db2.gz BBHMVFYBXZUUDN-SSDLBLMSSA-N 0 0 330.209 2.920 10 5 EFBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H](O)C(F)(F)F ZINC000601237262 478740546 /nfs/dbraw/zinc/74/05/46/478740546.db2.gz BBHMVFYBXZUUDN-ANLVUFKYSA-N 0 0 330.209 2.920 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592006201 478741737 /nfs/dbraw/zinc/74/17/37/478741737.db2.gz MIAULOQYCGNVDF-NSHDSACASA-N 0 0 340.742 2.699 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000595351054 478742039 /nfs/dbraw/zinc/74/20/39/478742039.db2.gz MINRYWWGVOQFGC-LBPRGKRZSA-N 0 0 348.371 2.727 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)c1 ZINC000595351667 478742998 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CC(C)Oc1cc(C(=O)NCC(O)(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000598289856 478747851 /nfs/dbraw/zinc/74/78/51/478747851.db2.gz SYKDNLHVQCOIEO-UHFFFAOYSA-N 0 0 348.399 2.663 10 5 EFBERN CSc1ccc(C(=O)NCC(O)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000598289354 478747874 /nfs/dbraw/zinc/74/78/74/478747874.db2.gz UMPUNCAHWAEHCE-UHFFFAOYSA-N 0 0 336.413 2.598 10 5 EFBERN COC(=O)c1cc(C2CCN(c3ccsc3[N+](=O)[O-])CC2)no1 ZINC000601252299 478747921 /nfs/dbraw/zinc/74/79/21/478747921.db2.gz VQKYXLUYGMBYSU-UHFFFAOYSA-N 0 0 337.357 2.815 10 5 EFBERN CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CC1 ZINC000595364704 478748260 /nfs/dbraw/zinc/74/82/60/478748260.db2.gz SAVVOOUACIVRSH-OAHLLOKOSA-N 0 0 349.412 2.856 10 5 EFBERN Cc1nn(C)c(N2CC[C@@H](c3ccc4cccnc4n3)C2)c1[N+](=O)[O-] ZINC000601255343 478749109 /nfs/dbraw/zinc/74/91/09/478749109.db2.gz CAGIAYMJJMDEOA-CYBMUJFWSA-N 0 0 338.371 2.574 10 5 EFBERN C[C@@H]1C[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)O1 ZINC000601258416 478751871 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EFBERN Cc1cc(OCC(=O)N2CCC(c3ccon3)CC2)ccc1[N+](=O)[O-] ZINC000598399789 478805979 /nfs/dbraw/zinc/80/59/79/478805979.db2.gz UTOLGRRAGJWTHW-UHFFFAOYSA-N 0 0 345.355 2.676 10 5 EFBERN C[C@H](NC(=O)N1C[C@]2(C)COC[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595482011 478812559 /nfs/dbraw/zinc/81/25/59/478812559.db2.gz QXPDUKNQPRDCQD-AFAVFJNCSA-N 0 0 333.388 2.724 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)C[C@@H]1CCC1(F)F)CC2 ZINC000601384933 478814319 /nfs/dbraw/zinc/81/43/19/478814319.db2.gz KDMILDYJQIODOW-NSHDSACASA-N 0 0 346.355 2.641 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(O)CCC(F)(F)CC1 ZINC000598422590 478815171 /nfs/dbraw/zinc/81/51/71/478815171.db2.gz GEUHDHAFFWISQY-UHFFFAOYSA-N 0 0 342.342 2.882 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(O)CCC(F)(F)CC1 ZINC000598423775 478817440 /nfs/dbraw/zinc/81/74/40/478817440.db2.gz VLYNEBOVPZMMPO-UHFFFAOYSA-N 0 0 328.315 2.573 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]1C(F)(F)F ZINC000595494065 478818582 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10 5 EFBERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000492108971 478826560 /nfs/dbraw/zinc/82/65/60/478826560.db2.gz QWHVQRXSKUXYHB-SNVBAGLBSA-N 0 0 341.314 2.536 10 5 EFBERN CCCC[C@@](C)(CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000592211733 478827134 /nfs/dbraw/zinc/82/71/34/478827134.db2.gz BSNOSHYZSPMAFG-HNNXBMFYSA-N 0 0 325.365 2.666 10 5 EFBERN COc1ccc(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)cc1[N+](=O)[O-] ZINC000601425433 478829305 /nfs/dbraw/zinc/82/93/05/478829305.db2.gz YQPSIMUXKGPMCV-JTQLQIEISA-N 0 0 330.344 2.635 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@@H]2CCCC2(F)F)c([N+](=O)[O-])s1 ZINC000601428622 478830193 /nfs/dbraw/zinc/83/01/93/478830193.db2.gz CEEBYYBFCROWLK-QMMMGPOBSA-N 0 0 340.373 2.678 10 5 EFBERN C[C@]12COC[C@H]1CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595517980 478830634 /nfs/dbraw/zinc/83/06/34/478830634.db2.gz HHHHARBCKSDLAK-QAPCUYQASA-N 0 0 347.415 2.595 10 5 EFBERN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601435611 478832558 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0 0 330.344 2.991 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000598468690 478838956 /nfs/dbraw/zinc/83/89/56/478838956.db2.gz GMMKUJZXNIPCQZ-CYBMUJFWSA-N 0 0 325.368 2.979 10 5 EFBERN Cc1cc(S(=O)(=O)NCC2CCC(F)CC2)c([N+](=O)[O-])s1 ZINC000601453262 478839475 /nfs/dbraw/zinc/83/94/75/478839475.db2.gz RFPILKJOKDAJAY-UHFFFAOYSA-N 0 0 336.410 2.771 10 5 EFBERN CC[C@@H]1CO[C@@H](CC)CN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601453072 478839594 /nfs/dbraw/zinc/83/95/94/478839594.db2.gz DLSYHSUXLYVOQZ-MNOVXSKESA-N 0 0 348.446 2.543 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])NC1(c2ccccc2F)CCC1 ZINC000592247798 478841059 /nfs/dbraw/zinc/84/10/59/478841059.db2.gz UDKKPZCMVKMYIW-UHFFFAOYSA-N 0 0 330.319 2.752 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595540983 478842146 /nfs/dbraw/zinc/84/21/46/478842146.db2.gz AWXNSOSKFXLPCY-AEGPPILISA-N 0 0 333.388 2.642 10 5 EFBERN Cc1cncn1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601460225 478842740 /nfs/dbraw/zinc/84/27/40/478842740.db2.gz QKEMNYNAFDFUTI-UHFFFAOYSA-N 0 0 332.335 2.716 10 5 EFBERN COC(=O)C1(N(Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)CCC1 ZINC000595542891 478842888 /nfs/dbraw/zinc/84/28/88/478842888.db2.gz XQQXACRDITWGNJ-UHFFFAOYSA-N 0 0 334.372 2.664 10 5 EFBERN COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000592256350 478843580 /nfs/dbraw/zinc/84/35/80/478843580.db2.gz YEXSCNJPDDXXQT-GMXVVIOVSA-N 0 0 347.371 3.000 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595544255 478845037 /nfs/dbraw/zinc/84/50/37/478845037.db2.gz NODXQVWJRZGKHK-GMXVVIOVSA-N 0 0 344.375 2.561 10 5 EFBERN Cc1cncc(CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000595550637 478849674 /nfs/dbraw/zinc/84/96/74/478849674.db2.gz WUQNVBVXYOGPPA-CYBMUJFWSA-N 0 0 343.387 2.605 10 5 EFBERN CC(C)(F)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601476267 478850181 /nfs/dbraw/zinc/85/01/81/478850181.db2.gz MCZFKJINIBEDSU-UHFFFAOYSA-N 0 0 344.286 2.640 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC(CCF)CC2)c(F)cc1[N+](=O)[O-] ZINC000601496609 478852115 /nfs/dbraw/zinc/85/21/15/478852115.db2.gz GYZKJKJQBXRLTN-UHFFFAOYSA-N 0 0 348.371 2.803 10 5 EFBERN Cc1scc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000601497872 478852186 /nfs/dbraw/zinc/85/21/86/478852186.db2.gz FMFLPRWRSVRPCF-UHFFFAOYSA-N 0 0 340.426 2.893 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CCC(CCF)CC2)c1[N+](=O)[O-] ZINC000601497060 478852293 /nfs/dbraw/zinc/85/22/93/478852293.db2.gz OHGSBMRVMAFSJX-UHFFFAOYSA-N 0 0 344.408 2.972 10 5 EFBERN CO[C@H](C)c1nc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cs1 ZINC000583440148 478853376 /nfs/dbraw/zinc/85/33/76/478853376.db2.gz MVCKUJNRYBXAQP-SNVBAGLBSA-N 0 0 349.412 2.848 10 5 EFBERN O=[N+]([O-])c1cc(F)c(CN2CCO[C@@]3(CCSC3)C2)c(F)c1 ZINC000564916381 478858099 /nfs/dbraw/zinc/85/80/99/478858099.db2.gz BGGIMTFCPOXMHM-AWEZNQCLSA-N 0 0 330.356 2.581 10 5 EFBERN C[C@H](CC1CCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000601511232 478859719 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COC(=O)C[C@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000595578436 478866308 /nfs/dbraw/zinc/86/63/08/478866308.db2.gz CNVDZZATOVWKIE-WCQYABFASA-N 0 0 349.387 2.544 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ccn1Cc1noc2c1CCCC2 ZINC000592357548 478866906 /nfs/dbraw/zinc/86/69/06/478866906.db2.gz TZXUOQLCSMJRML-UHFFFAOYSA-N 0 0 325.324 2.825 10 5 EFBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000598505726 478867067 /nfs/dbraw/zinc/86/70/67/478867067.db2.gz CJTWJJNFSISYPU-BXKDBHETSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000598505728 478867073 /nfs/dbraw/zinc/86/70/73/478867073.db2.gz CJTWJJNFSISYPU-JOYOIKCWSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](CC(F)(F)F)O1 ZINC000598506979 478868282 /nfs/dbraw/zinc/86/82/82/478868282.db2.gz IQUFSNPXPRYLBV-HTQZYQBOSA-N 0 0 338.307 2.838 10 5 EFBERN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000598508464 478869891 /nfs/dbraw/zinc/86/98/91/478869891.db2.gz QPDQUGMFBCTORI-VHSXEESVSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@@]1(C2CCCCC2)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601540008 478871114 /nfs/dbraw/zinc/87/11/14/478871114.db2.gz NNGFITQRGFCJLF-HNNXBMFYSA-N 0 0 339.417 2.723 10 5 EFBERN CCc1ccc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598511466 478872068 /nfs/dbraw/zinc/87/20/68/478872068.db2.gz OXLVKNACFQLXTI-LBPRGKRZSA-N 0 0 346.305 2.951 10 5 EFBERN Cc1ccncc1CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000595587697 478872151 /nfs/dbraw/zinc/87/21/51/478872151.db2.gz JWKYJQLKQCEQMT-UHFFFAOYSA-N 0 0 328.372 2.649 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(C2CC2)CC1 ZINC000583538979 478872418 /nfs/dbraw/zinc/87/24/18/478872418.db2.gz HVQLREDMDFDKOC-UHFFFAOYSA-N 0 0 328.372 2.860 10 5 EFBERN COC(=O)c1cccc(Cl)c1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000505581730 478874968 /nfs/dbraw/zinc/87/49/68/478874968.db2.gz LGWMFQWWMJSBLR-UHFFFAOYSA-N 0 0 336.731 2.553 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCCC1CCOCC1 ZINC000592382582 478876541 /nfs/dbraw/zinc/87/65/41/478876541.db2.gz QEBPBQMLCHWMQC-UHFFFAOYSA-N 0 0 342.417 2.852 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601557442 478876863 /nfs/dbraw/zinc/87/68/63/478876863.db2.gz AVRHYGJHEXEGAB-IAGOWNOFSA-N 0 0 347.415 2.784 10 5 EFBERN CCn1nc(C)c(CN(C)C(=O)NCc2ccccc2[N+](=O)[O-])c1C ZINC000601557263 478876997 /nfs/dbraw/zinc/87/69/97/478876997.db2.gz YTDOWPLUWABJSC-UHFFFAOYSA-N 0 0 345.403 2.770 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@]2(CCSC2)C1 ZINC000565009549 478881515 /nfs/dbraw/zinc/88/15/15/478881515.db2.gz KBBRDQQTYXQREP-INIZCTEOSA-N 0 0 348.380 2.689 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601567105 478883538 /nfs/dbraw/zinc/88/35/38/478883538.db2.gz QKWRMNVWVIUNHN-CVEARBPZSA-N 0 0 333.388 2.742 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598539305 478885710 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2.849 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601590582 478895378 /nfs/dbraw/zinc/89/53/78/478895378.db2.gz GVXFXFFYEXFFES-GBIKHYSHSA-N 0 0 341.795 2.656 10 5 EFBERN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000545203720 478896930 /nfs/dbraw/zinc/89/69/30/478896930.db2.gz DCRNHJIBOSZGRX-BBRMVZONSA-N 0 0 327.340 2.640 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@](C)(C(F)F)O1 ZINC000598564590 478898094 /nfs/dbraw/zinc/89/80/94/478898094.db2.gz MYZGMFSJENYFGY-XLKFXECMSA-N 0 0 332.278 2.619 10 5 EFBERN CNc1c(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598565868 478898128 /nfs/dbraw/zinc/89/81/28/478898128.db2.gz SKGSOBVJGBPCGE-RFAUZJTJSA-N 0 0 343.330 2.521 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc([N+](=O)[O-])c1 ZINC000598564082 478898275 /nfs/dbraw/zinc/89/82/75/478898275.db2.gz JDVMQCOKLBQCSM-ZUZCIYMTSA-N 0 0 328.315 2.788 10 5 EFBERN 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328.315 2.788 10 5 EFBERN CC(C)(C(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000598573137 478903635 /nfs/dbraw/zinc/90/36/35/478903635.db2.gz PCSWTYDEQFKSJQ-MRXNPFEDSA-N 0 0 342.342 2.755 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000598573351 478903648 /nfs/dbraw/zinc/90/36/48/478903648.db2.gz QRZIMILGGKNLGN-ZUZCIYMTSA-N 0 0 328.315 2.788 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCO2 ZINC000598575560 478904485 /nfs/dbraw/zinc/90/44/85/478904485.db2.gz JHTSZQZMPULSHH-NSHDSACASA-N 0 0 327.340 2.806 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000545239707 478905672 /nfs/dbraw/zinc/90/56/72/478905672.db2.gz ANXIOJUWMRJXDS-GJZGRUSLSA-N 0 0 335.404 2.533 10 5 EFBERN CCn1ccnc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601611278 478906036 /nfs/dbraw/zinc/90/60/36/478906036.db2.gz OQRYCRIVQYUKCZ-UHFFFAOYSA-N 0 0 328.372 2.549 10 5 EFBERN CON1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)CC1 ZINC000601617869 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10 5 EFBERN O=c1[nH]c(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc2ccccc21 ZINC000572795242 478921745 /nfs/dbraw/zinc/92/17/45/478921745.db2.gz UXDKYOGTGPECDB-UHFFFAOYSA-N 0 0 349.350 2.801 10 5 EFBERN CCO[C@@H](CCNc1nccc(C(=O)OC)c1[N+](=O)[O-])C(C)C ZINC000598602431 478922529 /nfs/dbraw/zinc/92/25/29/478922529.db2.gz NYGUSRAAJTUIGA-LBPRGKRZSA-N 0 0 325.365 2.640 10 5 EFBERN COC(=O)c1ccnc(N[C@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000598605465 478923173 /nfs/dbraw/zinc/92/31/73/478923173.db2.gz ATVNZMHXBZCVBS-ZDUSSCGKSA-N 0 0 328.328 2.735 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1[N+](=O)[O-] ZINC000598607302 478923338 /nfs/dbraw/zinc/92/33/38/478923338.db2.gz JHLDSSYZQUKWEO-RBSFLKMASA-N 0 0 339.351 2.774 10 5 EFBERN COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595672173 478926241 /nfs/dbraw/zinc/92/62/41/478926241.db2.gz DPFNYNWKPMNCGD-QGZVFWFLSA-N 0 0 344.367 2.950 10 5 EFBERN CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598612780 478926371 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2.788 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[C@@H]1CC1(F)F ZINC000598620633 478930116 /nfs/dbraw/zinc/93/01/16/478930116.db2.gz DAVFTBPRGYABGF-SSDOTTSWSA-N 0 0 340.735 2.572 10 5 EFBERN C[C@@H](CO)C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601655836 478931247 /nfs/dbraw/zinc/93/12/47/478931247.db2.gz UEPRRGXNVHQRAD-AWEZNQCLSA-N 0 0 346.427 2.884 10 5 EFBERN Cc1cc(S(=O)(=O)NCC[C@@H]2CC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000598624544 478931377 /nfs/dbraw/zinc/93/13/77/478931377.db2.gz ITNMZVWTRKGJQA-SNVBAGLBSA-N 0 0 334.344 2.535 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CC2(F)F)c(Cl)c1 ZINC000598622573 478932109 /nfs/dbraw/zinc/93/21/09/478932109.db2.gz PXOQFPWOCLCMAT-SSDOTTSWSA-N 0 0 340.735 2.572 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC3(CCC3)OC[C@@H]2C)c1 ZINC000595680521 478932727 /nfs/dbraw/zinc/93/27/27/478932727.db2.gz IFKKPFWEQNOESG-LBPRGKRZSA-N 0 0 334.372 2.525 10 5 EFBERN COC(=O)c1ccnc(N[C@@H](C2CC2)[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000598630872 478933926 /nfs/dbraw/zinc/93/39/26/478933926.db2.gz NFFJURNRQUFBRZ-STQMWFEESA-N 0 0 335.360 2.536 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595688083 478937837 /nfs/dbraw/zinc/93/78/37/478937837.db2.gz GHXSGZOGEQLMLW-INIZCTEOSA-N 0 0 349.431 2.984 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@@H]1CC1(F)F ZINC000598638770 478939014 /nfs/dbraw/zinc/93/90/14/478939014.db2.gz PEIPMUCXJBLZEW-CYBMUJFWSA-N 0 0 341.358 2.884 10 5 EFBERN Cc1nnc(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)s1 ZINC000601672790 478943914 /nfs/dbraw/zinc/94/39/14/478943914.db2.gz HNGCMZSVSIZOEB-UHFFFAOYSA-N 0 0 346.412 2.835 10 5 EFBERN O=C(N1CCO[C@@H](CCF)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601684751 478950685 /nfs/dbraw/zinc/95/06/85/478950685.db2.gz OFJOVOPYJIAFQV-HNNXBMFYSA-N 0 0 336.363 2.604 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)F ZINC000601687358 478952853 /nfs/dbraw/zinc/95/28/53/478952853.db2.gz BZSYNXDNLZTPGB-UHFFFAOYSA-N 0 0 330.381 2.811 10 5 EFBERN 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COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601877301 479052938 /nfs/dbraw/zinc/05/29/38/479052938.db2.gz NIVUNUYFPDUBGE-GOEBONIOSA-N 0 0 334.372 2.681 10 5 EFBERN COc1cccc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000601876907 479052974 /nfs/dbraw/zinc/05/29/74/479052974.db2.gz LRUNXBOJVQNVBU-ZFWWWQNUSA-N 0 0 334.372 2.681 10 5 EFBERN COc1cccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000601876905 479053015 /nfs/dbraw/zinc/05/30/15/479053015.db2.gz LRUNXBOJVQNVBU-HIFRSBDPSA-N 0 0 334.372 2.681 10 5 EFBERN COc1cc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000601880216 479053474 /nfs/dbraw/zinc/05/34/74/479053474.db2.gz BEBIVKUBDCXVTD-ZBFHGGJFSA-N 0 0 334.372 2.681 10 5 EFBERN COc1ccc(CC(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601880689 479054677 /nfs/dbraw/zinc/05/46/77/479054677.db2.gz CZNMJPXHXXTSSH-AEFFLSMTSA-N 0 0 348.399 2.610 10 5 EFBERN C[C@@H]1OCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C(F)(F)F ZINC000595893598 479055818 /nfs/dbraw/zinc/05/58/18/479055818.db2.gz STFZLTCEBWWKNT-GWCFXTLKSA-N 0 0 334.294 2.625 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000601885294 479057184 /nfs/dbraw/zinc/05/71/84/479057184.db2.gz LXJTWKLUNGMFAQ-HZPDHXFCSA-N 0 0 334.372 2.681 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000601885291 479057686 /nfs/dbraw/zinc/05/76/86/479057686.db2.gz LXJTWKLUNGMFAQ-HOTGVXAUSA-N 0 0 334.372 2.681 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)OC ZINC000592822547 479059694 /nfs/dbraw/zinc/05/96/94/479059694.db2.gz QOMJPWXPGNYIMB-MFKMUULPSA-N 0 0 347.371 2.784 10 5 EFBERN CC(C)(C)OC(=O)c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598861611 479060145 /nfs/dbraw/zinc/06/01/45/479060145.db2.gz VKYNDEHSIWRHAF-UHFFFAOYSA-N 0 0 344.327 2.592 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000592827162 479061175 /nfs/dbraw/zinc/06/11/75/479061175.db2.gz SXSLHEKWOQJNNT-SNVBAGLBSA-N 0 0 329.360 2.668 10 5 EFBERN CC(C)(C(=O)N1CCC[C@@H](C2CCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000601892684 479061572 /nfs/dbraw/zinc/06/15/72/479061572.db2.gz GVRZRLHTICSMAB-CQSZACIVSA-N 0 0 334.420 2.955 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][nH]cc1C1CC1 ZINC000592828195 479062674 /nfs/dbraw/zinc/06/26/74/479062674.db2.gz LYPJHKXDKYACGI-SECBINFHSA-N 0 0 332.385 2.737 10 5 EFBERN Cc1ccc(CN(CC2CC2)C(=O)c2cccc([N+](=O)[O-])c2N)cn1 ZINC000592832692 479064300 /nfs/dbraw/zinc/06/43/00/479064300.db2.gz VEJVYRAABSROSG-UHFFFAOYSA-N 0 0 340.383 2.933 10 5 EFBERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000598873294 479066986 /nfs/dbraw/zinc/06/69/86/479066986.db2.gz XQAJZFXZXDJCJR-GOEBONIOSA-N 0 0 342.399 2.778 10 5 EFBERN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@](C)(C(F)F)O1 ZINC000595913378 479067774 /nfs/dbraw/zinc/06/77/74/479067774.db2.gz DBKUOSOZCQSDSW-PSLIRLAXSA-N 0 0 340.330 2.716 10 5 EFBERN CCOc1cc(CN2CCO[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595913989 479068380 /nfs/dbraw/zinc/06/83/80/479068380.db2.gz CCENUDTYKYAEGH-HNNXBMFYSA-N 0 0 330.331 2.850 10 5 EFBERN Cc1cc(OCC(=O)N2CC(C)(CC(F)F)C2)ccc1[N+](=O)[O-] ZINC000592841475 479069175 /nfs/dbraw/zinc/06/91/75/479069175.db2.gz UCETVSXCDNRTJZ-UHFFFAOYSA-N 0 0 328.315 2.786 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCSCc1cn(-c2ccccc2)nn1 ZINC000601917918 479070299 /nfs/dbraw/zinc/07/02/99/479070299.db2.gz UFPUVIBLVLZBQD-UHFFFAOYSA-N 0 0 344.400 2.614 10 5 EFBERN CCCc1nccnc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000598878990 479070563 /nfs/dbraw/zinc/07/05/63/479070563.db2.gz YMBPYPDJNVIJLR-UHFFFAOYSA-N 0 0 330.344 2.527 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000592854119 479073145 /nfs/dbraw/zinc/07/31/45/479073145.db2.gz NRGBVBZBQPGTPC-QGZVFWFLSA-N 0 0 346.387 2.656 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592854971 479073669 /nfs/dbraw/zinc/07/36/69/479073669.db2.gz QAQRBIBVBYLRJP-OAHLLOKOSA-N 0 0 326.418 2.744 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592855319 479074970 /nfs/dbraw/zinc/07/49/70/479074970.db2.gz SQZJXQMGJGUWDI-QGZVFWFLSA-N 0 0 347.371 2.520 10 5 EFBERN CC[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000592855664 479075030 /nfs/dbraw/zinc/07/50/30/479075030.db2.gz JFWIVTFMJBFXAE-QMMMGPOBSA-N 0 0 348.277 2.543 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C(F)F)C2CCCCC2)n1 ZINC000598891909 479075838 /nfs/dbraw/zinc/07/58/38/479075838.db2.gz HCGMJLYDMUJOSJ-NSHDSACASA-N 0 0 330.335 2.755 10 5 EFBERN CCN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000601929165 479077249 /nfs/dbraw/zinc/07/72/49/479077249.db2.gz YNLHMHGUGLLTJJ-UHFFFAOYSA-N 0 0 348.277 2.587 10 5 EFBERN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)OC ZINC000592864608 479078597 /nfs/dbraw/zinc/07/85/97/479078597.db2.gz YTAOZKWLWRJMDH-MRVPVSSYSA-N 0 0 348.277 2.543 10 5 EFBERN CC[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)OC ZINC000592866893 479079792 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Cc1cc(C)c([N+](=O)[O-])c(N2Cc3cnn(C)c3CC(C)(C)C2)n1 ZINC000596001833 479091443 /nfs/dbraw/zinc/09/14/43/479091443.db2.gz YEOUJDPANOULGT-UHFFFAOYSA-N 0 0 329.404 2.929 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCc2n[nH]cc2C1 ZINC000596003462 479091982 /nfs/dbraw/zinc/09/19/82/479091982.db2.gz RNJWUHUZDAWSMY-UHFFFAOYSA-N 0 0 329.360 2.915 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000596004043 479092507 /nfs/dbraw/zinc/09/25/07/479092507.db2.gz ACZHDNKGQOSZEU-UHFFFAOYSA-N 0 0 344.371 2.551 10 5 EFBERN CN1Cc2ccccc2[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000598939488 479092752 /nfs/dbraw/zinc/09/27/52/479092752.db2.gz KDZMCGAKFZDCSP-FUHWJXTLSA-N 0 0 337.379 2.885 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000596004078 479092756 /nfs/dbraw/zinc/09/27/56/479092756.db2.gz AGSHTLVLTNYEDO-UHFFFAOYSA-N 0 0 328.372 2.851 10 5 EFBERN Cn1ncc2c1CC(C)(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000596005118 479092855 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EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000598947583 479096656 /nfs/dbraw/zinc/09/66/56/479096656.db2.gz OASDOJWQMICGEX-LLVKDONJSA-N 0 0 346.412 2.648 10 5 EFBERN COc1cc(CN2Cc3ccccc3N(C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000598946497 479096754 /nfs/dbraw/zinc/09/67/54/479096754.db2.gz HJEYAQNXAFAQML-UHFFFAOYSA-N 0 0 341.367 2.582 10 5 EFBERN COc1cc(CN2Cc3ccccc3NC(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000598948458 479096876 /nfs/dbraw/zinc/09/68/76/479096876.db2.gz GGKPFNZRHMFKAO-GFCCVEGCSA-N 0 0 341.367 2.946 10 5 EFBERN COc1cc(CN2Cc3ccccc3NC(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000598948459 479096946 /nfs/dbraw/zinc/09/69/46/479096946.db2.gz GGKPFNZRHMFKAO-LBPRGKRZSA-N 0 0 341.367 2.946 10 5 EFBERN C[C@@H]1C(=O)Nc2ccccc2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000598949647 479097620 /nfs/dbraw/zinc/09/76/20/479097620.db2.gz LFPSNKZINBJAHV-CYBMUJFWSA-N 0 0 325.368 2.980 10 5 EFBERN C[C@@H](C(=O)NC[C@H]1CCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000598950957 479098254 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0 0 332.360 2.741 10 5 EFBERN COc1ccc(CC(=O)Nc2n[nH]c(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000592949826 479106409 /nfs/dbraw/zinc/10/64/09/479106409.db2.gz HSCZZGHQFOGZFQ-UHFFFAOYSA-N 0 0 332.360 2.940 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000598967096 479106789 /nfs/dbraw/zinc/10/67/89/479106789.db2.gz NQJFQOZOPLIDRO-FRRDWIJNSA-N 0 0 333.388 2.839 10 5 EFBERN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000592951029 479107428 /nfs/dbraw/zinc/10/74/28/479107428.db2.gz VOHWOBWETSXPRV-RISCZKNCSA-N 0 0 333.388 2.984 10 5 EFBERN Cc1nn(CCC(=O)Nc2n[nH]c(C(C)C)c2C)c(C)c1[N+](=O)[O-] ZINC000592951048 479108043 /nfs/dbraw/zinc/10/80/43/479108043.db2.gz XBEAFIMIBKQHGG-UHFFFAOYSA-N 0 0 334.380 2.592 10 5 EFBERN COc1cc(CCNC(=O)[C@H]2CCCC23CC3)c([N+](=O)[O-])cc1OC ZINC000598984801 479113186 /nfs/dbraw/zinc/11/31/86/479113186.db2.gz BVTZJVIVVKJMPS-CYBMUJFWSA-N 0 0 348.399 2.851 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC12CC2 ZINC000598985269 479114912 /nfs/dbraw/zinc/11/49/12/479114912.db2.gz LUJXIXJUWVLJGS-CYBMUJFWSA-N 0 0 333.388 2.853 10 5 EFBERN Cn1ncc(C(F)(F)F)c1CNCc1ccc([N+](=O)[O-])cc1F ZINC000598989703 479116287 /nfs/dbraw/zinc/11/62/87/479116287.db2.gz QXMXDDQFPFZMBQ-UHFFFAOYSA-N 0 0 332.257 2.776 10 5 EFBERN CC(C)(C)C(F)(F)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596070629 479119781 /nfs/dbraw/zinc/11/97/81/479119781.db2.gz QPNZOSOUXDMLTI-LLVKDONJSA-N 0 0 332.347 2.606 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599001877 479121676 /nfs/dbraw/zinc/12/16/76/479121676.db2.gz YCRZLHUGBLKWGZ-HZUKXOBISA-N 0 0 333.388 2.831 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](CO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000599000558 479121868 /nfs/dbraw/zinc/12/18/68/479121868.db2.gz MQYUFHGUUGFPDC-MGPQQGTHSA-N 0 0 335.404 2.767 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599002428 479122095 /nfs/dbraw/zinc/12/20/95/479122095.db2.gz ZONJCBZLVXEOLP-WBVHZDCISA-N 0 0 329.356 2.624 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596075714 479123515 /nfs/dbraw/zinc/12/35/15/479123515.db2.gz ORZRRUAOUMFHNI-RKDXNWHRSA-N 0 0 328.752 2.648 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596075950 479123854 /nfs/dbraw/zinc/12/38/54/479123854.db2.gz KTDYWRBFTFSLKG-UHFFFAOYSA-N 0 0 328.752 2.650 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)Cn2ccnc2)ccc1[N+](=O)[O-] ZINC000596077812 479124790 /nfs/dbraw/zinc/12/47/90/479124790.db2.gz BSOQEEUZSWBUFX-VIFPVBQESA-N 0 0 338.751 2.732 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CCO)c2ccccc2)c1 ZINC000593019751 479128620 /nfs/dbraw/zinc/12/86/20/479128620.db2.gz JYSPOOZTVHIXEV-INIZCTEOSA-N 0 0 344.367 2.595 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccccn2)C2CC2)c1 ZINC000593021303 479129221 /nfs/dbraw/zinc/12/92/21/479129221.db2.gz XAHPNDXEIQLZGO-UHFFFAOYSA-N 0 0 341.367 2.941 10 5 EFBERN COC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000593022489 479130062 /nfs/dbraw/zinc/13/00/62/479130062.db2.gz HEEKULLGWUDFQN-CQSZACIVSA-N 0 0 348.355 2.760 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2nc(C)cs2)c1 ZINC000593023779 479130736 /nfs/dbraw/zinc/13/07/36/479130736.db2.gz ARMVIHPTNDMBSQ-JTQLQIEISA-N 0 0 335.385 2.997 10 5 EFBERN CC(C)(C)C[C@@H]1CCCN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596096134 479136053 /nfs/dbraw/zinc/13/60/53/479136053.db2.gz BVAKKDLNZCDURX-LBPRGKRZSA-N 0 0 341.433 2.647 10 5 EFBERN C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])CN1CCOCC1 ZINC000599047309 479137924 /nfs/dbraw/zinc/13/79/24/479137924.db2.gz SXDZVRMOWZAXHM-ZDUSSCGKSA-N 0 0 330.388 2.523 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCO[C@H](C(F)(F)F)C1 ZINC000599047333 479138067 /nfs/dbraw/zinc/13/80/67/479138067.db2.gz UDJRFDXNMBGVNR-LBPRGKRZSA-N 0 0 327.262 2.911 10 5 EFBERN COc1cc(NCCCc2nc(C)no2)c(Cl)cc1[N+](=O)[O-] ZINC000596104627 479140793 /nfs/dbraw/zinc/14/07/93/479140793.db2.gz JHQYQANSORKFHD-UHFFFAOYSA-N 0 0 326.740 2.993 10 5 EFBERN CCOCCO[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599059177 479142252 /nfs/dbraw/zinc/14/22/52/479142252.db2.gz OLSTYFNNZRDAER-AWEZNQCLSA-N 0 0 331.372 2.775 10 5 EFBERN Nc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)nc1[N+](=O)[O-] ZINC000596109836 479143513 /nfs/dbraw/zinc/14/35/13/479143513.db2.gz FDSUMDDGFWMGKZ-GFCCVEGCSA-N 0 0 328.328 2.642 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCn3c(CC4CC4)nnc3C2)c(Cl)c1 ZINC000593053811 479145143 /nfs/dbraw/zinc/14/51/43/479145143.db2.gz NOGVDUMZHJGSAA-UHFFFAOYSA-N 0 0 347.806 2.808 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@H]2CCCCS2(=O)=O)ccc2cnccc21 ZINC000599065776 479146188 /nfs/dbraw/zinc/14/61/88/479146188.db2.gz NHGQTRIDCFSQJY-LBPRGKRZSA-N 0 0 335.385 2.522 10 5 EFBERN COC(=O)CSCCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596113392 479146102 /nfs/dbraw/zinc/14/61/02/479146102.db2.gz BAGSRUXYRNDDGL-UHFFFAOYSA-N 0 0 334.781 2.575 10 5 EFBERN CC(C)OC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599067464 479146975 /nfs/dbraw/zinc/14/69/75/479146975.db2.gz DWZKPEQFCRRXRL-AWEZNQCLSA-N 0 0 331.372 2.773 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCn2c(CC3CC3)nnc2C1 ZINC000593057878 479148615 /nfs/dbraw/zinc/14/86/15/479148615.db2.gz DIKHYHZCYUVGFI-GFCCVEGCSA-N 0 0 327.388 2.716 10 5 EFBERN CC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599070470 479148729 /nfs/dbraw/zinc/14/87/29/479148729.db2.gz IKJMIOBRRAWWAT-RDTXWAMCSA-N 0 0 343.383 2.917 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596119248 479149765 /nfs/dbraw/zinc/14/97/65/479149765.db2.gz MFVWBZFUSXECKN-JTQLQIEISA-N 0 0 341.795 2.789 10 5 EFBERN O=C1N=NC([C@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)O1 ZINC000599074407 479151061 /nfs/dbraw/zinc/15/10/61/479151061.db2.gz LPNTYAROADRAOO-NSHDSACASA-N 0 0 341.327 2.616 10 5 EFBERN COCCn1cc(CNc2ccc3cnccc3c2[N+](=O)[O-])cn1 ZINC000599073617 479151349 /nfs/dbraw/zinc/15/13/49/479151349.db2.gz FXIARKGIHDTAKI-UHFFFAOYSA-N 0 0 327.344 2.598 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCO[C@@]2(CCCOC2)C1 ZINC000599080525 479152383 /nfs/dbraw/zinc/15/23/83/479152383.db2.gz HTMCOVGTHRNKRY-KRWDZBQOSA-N 0 0 329.356 2.529 10 5 EFBERN CC[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596128346 479154234 /nfs/dbraw/zinc/15/42/34/479154234.db2.gz ILWMKRVEEHIZBC-SECBINFHSA-N 0 0 328.752 2.650 10 5 EFBERN CC(C)(CCNc1ccc2cnccc2c1[N+](=O)[O-])S(C)(=O)=O ZINC000599086610 479156131 /nfs/dbraw/zinc/15/61/31/479156131.db2.gz PTZFZFMADUOWKW-UHFFFAOYSA-N 0 0 337.401 2.768 10 5 EFBERN COc1cc(N[C@@H]2CCC[C@@H](C(N)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596134152 479156680 /nfs/dbraw/zinc/15/66/80/479156680.db2.gz LVWUQYNFIGUIKN-RKDXNWHRSA-N 0 0 327.768 2.713 10 5 EFBERN COc1cc(NC[C@@H](C)CN2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596135070 479157260 /nfs/dbraw/zinc/15/72/60/479157260.db2.gz QINMFVIQWJLYGE-LLVKDONJSA-N 0 0 343.811 2.637 10 5 EFBERN CCn1nnc(C)c1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000599091080 479158112 /nfs/dbraw/zinc/15/81/12/479158112.db2.gz WKZFTIRTGCZLEE-UHFFFAOYSA-N 0 0 340.181 2.889 10 5 EFBERN CS(=O)(=O)CC1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCC1 ZINC000599090096 479158428 /nfs/dbraw/zinc/15/84/28/479158428.db2.gz JBYSOSAPJFSIER-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN O=[N+]([O-])c1c(NCc2cc3n(n2)CCCO3)ccc2cnccc21 ZINC000599097260 479160600 /nfs/dbraw/zinc/16/06/00/479160600.db2.gz CNPUPFJFIFLASH-UHFFFAOYSA-N 0 0 325.328 2.734 10 5 EFBERN CCO[C@H](C)c1nc(CN(C)c2ccc(N)c([N+](=O)[O-])n2)cs1 ZINC000596139417 479160741 /nfs/dbraw/zinc/16/07/41/479160741.db2.gz UHTRVMSOEGTWAV-SECBINFHSA-N 0 0 337.405 2.762 10 5 EFBERN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000596140399 479160759 /nfs/dbraw/zinc/16/07/59/479160759.db2.gz HVZXCPHCIWWOSS-YGRLFVJLSA-N 0 0 332.335 2.678 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596142290 479161391 /nfs/dbraw/zinc/16/13/91/479161391.db2.gz SFUWKLLTYGOTSD-DTWKUNHWSA-N 0 0 328.752 2.872 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)CC[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000596143083 479161789 /nfs/dbraw/zinc/16/17/89/479161789.db2.gz WRVQEPWAEIGLLE-CWMRNNLJSA-N 0 0 348.808 2.604 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)n1 ZINC000599108642 479163649 /nfs/dbraw/zinc/16/36/49/479163649.db2.gz OYVSQPYXKJQTKG-KGLIPLIRSA-N 0 0 331.376 2.672 10 5 EFBERN CCS(=O)(=O)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599110077 479163707 /nfs/dbraw/zinc/16/37/07/479163707.db2.gz FMBCDHDGMHFIAZ-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(C)COc2ccccc2O1 ZINC000599115561 479166142 /nfs/dbraw/zinc/16/61/42/479166142.db2.gz CMJCMZJKQIFTQH-MRXNPFEDSA-N 0 0 332.360 2.762 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@H](n2cccn2)C(F)(F)F)nc2sccn21 ZINC000599117088 479166902 /nfs/dbraw/zinc/16/69/02/479166902.db2.gz KUAAWALYANFOMX-SSDOTTSWSA-N 0 0 346.294 2.716 10 5 EFBERN Cn1cc([C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C(C)(C)C)cn1 ZINC000596155416 479167761 /nfs/dbraw/zinc/16/77/61/479167761.db2.gz JUIBXNRJUSZUOH-CQSZACIVSA-N 0 0 331.376 2.627 10 5 EFBERN CCC[C@@H](C)[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000584532822 479168348 /nfs/dbraw/zinc/16/83/48/479168348.db2.gz HZBLGGIVHJZIEJ-MFKMUULPSA-N 0 0 325.365 2.522 10 5 EFBERN Cn1ncc(C(F)(F)F)c1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599123715 479168902 /nfs/dbraw/zinc/16/89/02/479168902.db2.gz FZLPJBAMYNRYDP-UHFFFAOYSA-N 0 0 341.293 2.927 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)OCC23CCC3)c1 ZINC000593092063 479168940 /nfs/dbraw/zinc/16/89/40/479168940.db2.gz MFLWULRDGDYRLP-LBPRGKRZSA-N 0 0 334.372 2.525 10 5 EFBERN CCC(=O)N1CC[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596159200 479171615 /nfs/dbraw/zinc/17/16/15/479171615.db2.gz DPTHJTJJGXNTRE-SECBINFHSA-N 0 0 327.768 2.680 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000584540056 479171943 /nfs/dbraw/zinc/17/19/43/479171943.db2.gz MJXQAPOWSPFMPE-ZDUSSCGKSA-N 0 0 348.403 2.696 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CC(F)F)c1 ZINC000599133125 479173073 /nfs/dbraw/zinc/17/30/73/479173073.db2.gz BHELKMMKMIYPAA-LLVKDONJSA-N 0 0 343.330 2.523 10 5 EFBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596167113 479176091 /nfs/dbraw/zinc/17/60/91/479176091.db2.gz DHSAKHDBJFWMHM-DIFFPNOSSA-N 0 0 341.367 2.522 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000596169382 479177208 /nfs/dbraw/zinc/17/72/08/479177208.db2.gz IIBAHFNEMXWSDJ-ZJUUUORDSA-N 0 0 342.779 2.632 10 5 EFBERN Cc1cc(NCC2(OCCO)CCC(F)(F)CC2)ncc1[N+](=O)[O-] ZINC000599140276 479177394 /nfs/dbraw/zinc/17/73/94/479177394.db2.gz ZIAFIAFLUCCDLC-UHFFFAOYSA-N 0 0 345.346 2.667 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2cc(F)ccc2C1 ZINC000599139848 479177923 /nfs/dbraw/zinc/17/79/23/479177923.db2.gz RBDXPAVBAUNMDD-CQSZACIVSA-N 0 0 344.342 2.644 10 5 EFBERN COC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C1CC1 ZINC000596171066 479178594 /nfs/dbraw/zinc/17/85/94/479178594.db2.gz DXNUGESEFIXQFS-SNVBAGLBSA-N 0 0 328.752 2.872 10 5 EFBERN Cc1cc(N[C@]23C[C@H]2COC3(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599143442 479178870 /nfs/dbraw/zinc/17/88/70/479178870.db2.gz RBUHBKVGMIZLNJ-SCLBCKFNSA-N 0 0 340.383 2.762 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC3(CC(F)C3)C2)ccc1[N+](=O)[O-] ZINC000596171543 479178803 /nfs/dbraw/zinc/17/88/03/479178803.db2.gz FEXZZRNQSKOJQL-UHFFFAOYSA-N 0 0 328.727 2.973 10 5 EFBERN C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccncc1 ZINC000599143857 479179316 /nfs/dbraw/zinc/17/93/16/479179316.db2.gz HKBPCUOFRBAHQK-NSHDSACASA-N 0 0 325.328 2.705 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC3(C2)CCCO3)nc1OCc1ccccc1 ZINC000599144603 479180549 /nfs/dbraw/zinc/18/05/49/479180549.db2.gz KODDUAMDKPTROL-UHFFFAOYSA-N 0 0 341.367 2.938 10 5 EFBERN CCc1cc(N2CC3(C2)CCCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599145636 479180637 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CS(=O)(=O)c1cc(Nc2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000584636891 479196828 /nfs/dbraw/zinc/19/68/28/479196828.db2.gz XYPDYHVATAUGCW-UHFFFAOYSA-N 0 0 327.749 2.790 10 5 EFBERN CC(C)NC(=O)c1ccc(N[C@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000599180529 479198065 /nfs/dbraw/zinc/19/80/65/479198065.db2.gz LDYDJMSRXDKHQX-CZUORRHYSA-N 0 0 333.388 2.712 10 5 EFBERN O=C(c1cc(N[C@H]2CO[C@H](C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599180915 479198472 /nfs/dbraw/zinc/19/84/72/479198472.db2.gz ODSBAVUXYJBFNQ-PBHICJAKSA-N 0 0 345.399 2.810 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000596207132 479199881 /nfs/dbraw/zinc/19/98/81/479199881.db2.gz BPHXJMRKFDSKIZ-ZJUUUORDSA-N 0 0 342.779 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596209343 479201344 /nfs/dbraw/zinc/20/13/44/479201344.db2.gz SORZGOBGSCIISY-DTWKUNHWSA-N 0 0 328.752 2.872 10 5 EFBERN COC(=O)[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])Cc2ccccc21 ZINC000599188858 479202805 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CC(C)N(CCc1nccs1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596219625 479207249 /nfs/dbraw/zinc/20/72/49/479207249.db2.gz TYPICGIHTQVZSK-UHFFFAOYSA-N 0 0 334.401 2.608 10 5 EFBERN COC(=O)c1c(Cl)c(NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000596221381 479208177 /nfs/dbraw/zinc/20/81/77/479208177.db2.gz BRWLMPJRUIIEGV-UHFFFAOYSA-N 0 0 339.779 2.709 10 5 EFBERN COc1cc(N2CC(n3nc(C)nc3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596221193 479208299 /nfs/dbraw/zinc/20/82/99/479208299.db2.gz BVQQRGDWKBPPHF-UHFFFAOYSA-N 0 0 337.767 2.526 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[C@@H](OC)C1 ZINC000599205062 479208550 /nfs/dbraw/zinc/20/85/50/479208550.db2.gz BSJQUDZQEOHQDO-WAAGHKOSSA-N 0 0 328.752 2.872 10 5 EFBERN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602160256 479208952 /nfs/dbraw/zinc/20/89/52/479208952.db2.gz MIMXWERREBCVFK-FVQBIDKESA-N 0 0 340.383 2.828 10 5 EFBERN O=C1[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CCN1C1CCC1 ZINC000599206886 479209272 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CCN(C[C@H](C)OC)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596239885 479217489 /nfs/dbraw/zinc/21/74/89/479217489.db2.gz NOMGXPALYTXRSN-VIFPVBQESA-N 0 0 330.768 2.896 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCC2CCN(CC(F)F)CC2)n1 ZINC000596237862 479218395 /nfs/dbraw/zinc/21/83/95/479218395.db2.gz BVJKSQQLWKBECX-UHFFFAOYSA-N 0 0 328.363 2.996 10 5 EFBERN CCN(c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)[C@@H]1CCOC1 ZINC000596242213 479219121 /nfs/dbraw/zinc/21/91/21/479219121.db2.gz RKTJYBFOHHVPMS-SECBINFHSA-N 0 0 328.752 2.650 10 5 EFBERN Cn1cc(C2=CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)cn1 ZINC000602178919 479221333 /nfs/dbraw/zinc/22/13/33/479221333.db2.gz MRCSJERFUIHYLV-UHFFFAOYSA-N 0 0 346.774 2.911 10 5 EFBERN COc1ccc(NC(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593177846 479221621 /nfs/dbraw/zinc/22/16/21/479221621.db2.gz AYACTUSPNIRQEV-CYBMUJFWSA-N 0 0 327.287 2.866 10 5 EFBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C(C)(C)O ZINC000596247506 479222367 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CCc1noc(CSCc2cc(C(=O)OC)ccc2[N+](=O)[O-])n1 ZINC000593186979 479228490 /nfs/dbraw/zinc/22/84/90/479228490.db2.gz BVYORCJNPUQNMV-UHFFFAOYSA-N 0 0 337.357 2.760 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000596259564 479228719 /nfs/dbraw/zinc/22/87/19/479228719.db2.gz WMKODBQNKKSRLZ-BXUZGUMPSA-N 0 0 334.763 2.792 10 5 EFBERN CO[C@H](Cn1cc([N+](=O)[O-])cc(Br)c1=O)C1CCCC1 ZINC000596265326 479231027 /nfs/dbraw/zinc/23/10/27/479231027.db2.gz JIEYEOVMYKOOJD-GFCCVEGCSA-N 0 0 345.193 2.724 10 5 EFBERN CO[C@@H](Cn1cc([N+](=O)[O-])cc(Br)c1=O)C1CCCC1 ZINC000596265327 479231238 /nfs/dbraw/zinc/23/12/38/479231238.db2.gz JIEYEOVMYKOOJD-LBPRGKRZSA-N 0 0 345.193 2.724 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000596270645 479232887 /nfs/dbraw/zinc/23/28/87/479232887.db2.gz MPDMQCNMCJJESD-SKDRFNHKSA-N 0 0 340.763 2.650 10 5 EFBERN COc1cc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596273775 479233777 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O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@]2(CCSC2)C1 ZINC000584776712 479239210 /nfs/dbraw/zinc/23/92/10/479239210.db2.gz FNOIATDTNIFUMG-MRXNPFEDSA-N 0 0 331.397 2.855 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)N[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593204004 479239312 /nfs/dbraw/zinc/23/93/12/479239312.db2.gz DYCIHBAHPGRZQW-NSHDSACASA-N 0 0 327.356 2.734 10 5 EFBERN NC(=O)c1cc(N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000596295669 479242768 /nfs/dbraw/zinc/24/27/68/479242768.db2.gz BTKGBJDAEAVHCC-CABZTGNLSA-N 0 0 347.293 2.606 10 5 EFBERN CCCCNC(=O)C1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000584790176 479244683 /nfs/dbraw/zinc/24/46/83/479244683.db2.gz JDIDIOPCMXPUKK-UHFFFAOYSA-N 0 0 335.404 2.736 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(c3cccc(F)c3)C2)n1 ZINC000593218522 479245461 /nfs/dbraw/zinc/24/54/61/479245461.db2.gz UYCAPDYKVRZROJ-KRWDZBQOSA-N 0 0 346.362 2.754 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000593219689 479245659 /nfs/dbraw/zinc/24/56/59/479245659.db2.gz MJJXEJWCEZYIMK-BXUZGUMPSA-N 0 0 334.372 2.930 10 5 EFBERN CCc1cc(CCCn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)on1 ZINC000596303372 479247102 /nfs/dbraw/zinc/24/71/02/479247102.db2.gz ABFGWRILGLZTEP-UHFFFAOYSA-N 0 0 331.372 2.819 10 5 EFBERN COC1CC(CCNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000596309560 479247959 /nfs/dbraw/zinc/24/79/59/479247959.db2.gz VOGJTUBPUGCXMW-UHFFFAOYSA-N 0 0 344.209 2.710 10 5 EFBERN CCOC(=O)Cc1ccc(NCCC2CC(OC)C2)c([N+](=O)[O-])c1 ZINC000596308671 479248153 /nfs/dbraw/zinc/24/81/53/479248153.db2.gz KFQZWTAYILACNE-UHFFFAOYSA-N 0 0 336.388 2.927 10 5 EFBERN CCOC(=O)CCC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000610978271 479249141 /nfs/dbraw/zinc/24/91/41/479249141.db2.gz FIGFPPSNIGIISN-UHFFFAOYSA-N 0 0 348.399 2.719 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000596313894 479250776 /nfs/dbraw/zinc/25/07/76/479250776.db2.gz UWKSIOIUTQVIHI-NSHDSACASA-N 0 0 330.344 2.777 10 5 EFBERN CO[C@@H](CNc1cc(C)nc2c1cccc2[N+](=O)[O-])[C@H]1CCOC1 ZINC000596315190 479250951 /nfs/dbraw/zinc/25/09/51/479250951.db2.gz ATXHCZJGCXYDJV-LRDDRELGSA-N 0 0 331.372 2.915 10 5 EFBERN CC(=O)NCc1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000596316451 479251230 /nfs/dbraw/zinc/25/12/30/479251230.db2.gz HKGQRPZZPMMIQS-UHFFFAOYSA-N 0 0 340.383 2.811 10 5 EFBERN CS(=O)(=O)CC1(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000596317611 479251413 /nfs/dbraw/zinc/25/14/13/479251413.db2.gz OKIAIAVJBXOKBP-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CCOC1 ZINC000596317052 479251785 /nfs/dbraw/zinc/25/17/85/479251785.db2.gz HEROSSBWTLAJIV-ZBFHGGJFSA-N 0 0 343.383 2.542 10 5 EFBERN O=[N+]([O-])c1ccccc1Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000596316979 479251831 /nfs/dbraw/zinc/25/18/31/479251831.db2.gz KSFXRECAHGIJID-UHFFFAOYSA-N 0 0 347.396 2.874 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)C2CCC2)nc1-c1ccc(F)cc1 ZINC000596323396 479254155 /nfs/dbraw/zinc/25/41/55/479254155.db2.gz KWUUWVCDDUHQJZ-AWEZNQCLSA-N 0 0 331.347 2.791 10 5 EFBERN Cc1cc(F)ccc1C[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596327694 479254595 /nfs/dbraw/zinc/25/45/95/479254595.db2.gz KPHRIWXKKJQFDE-JTQLQIEISA-N 0 0 332.335 2.579 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2ccc(C(C)(C)C)cc2=O)c1 ZINC000593237184 479254748 /nfs/dbraw/zinc/25/47/48/479254748.db2.gz ITXMQWOTCZEHKW-UHFFFAOYSA-N 0 0 344.367 2.889 10 5 EFBERN CC[C@H](COCC1CC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596327117 479254865 /nfs/dbraw/zinc/25/48/65/479254865.db2.gz NZZZVNFRCGAMKX-SNVBAGLBSA-N 0 0 348.446 2.677 10 5 EFBERN COC[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C1CCOCC1 ZINC000596329721 479255710 /nfs/dbraw/zinc/25/57/10/479255710.db2.gz LNTPDKFJGJTURE-MRXNPFEDSA-N 0 0 331.372 2.997 10 5 EFBERN COC[C@H](CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)OC ZINC000596328205 479256450 /nfs/dbraw/zinc/25/64/50/479256450.db2.gz JSLLQKQXYHJQFN-ZDUSSCGKSA-N 0 0 337.401 2.604 10 5 EFBERN Cc1cc(F)ccc1C[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596327695 479256722 /nfs/dbraw/zinc/25/67/22/479256722.db2.gz KPHRIWXKKJQFDE-SNVBAGLBSA-N 0 0 332.335 2.579 10 5 EFBERN C[C@@]1(C2CC2)CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000596336476 479258666 /nfs/dbraw/zinc/25/86/66/479258666.db2.gz XJGMSZBOZKBSTF-ZDUSSCGKSA-N 0 0 342.193 2.758 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC1CCC(O)CC1 ZINC000596357662 479264459 /nfs/dbraw/zinc/26/44/59/479264459.db2.gz PGNXFGGVTYFLBM-UHFFFAOYSA-N 0 0 349.431 2.768 10 5 EFBERN COCCC1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000596356975 479264723 /nfs/dbraw/zinc/26/47/23/479264723.db2.gz MYDVWDZETWEFIJ-UHFFFAOYSA-N 0 0 328.372 2.833 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000596365848 479266859 /nfs/dbraw/zinc/26/68/59/479266859.db2.gz GWPLCCXTTDGEMD-VMGRFDJRSA-N 0 0 345.399 2.543 10 5 EFBERN C[S@](=O)[C@H]1CCC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000596365436 479267301 /nfs/dbraw/zinc/26/73/01/479267301.db2.gz IGDYZASLCYSSIN-PSVOKBTDSA-N 0 0 337.445 2.970 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596366382 479268079 /nfs/dbraw/zinc/26/80/79/479268079.db2.gz KNGMKHQCSJKGRZ-GLXFQSAKSA-N 0 0 330.331 2.851 10 5 EFBERN CCOc1cc(N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000596367120 479268147 /nfs/dbraw/zinc/26/81/47/479268147.db2.gz GAJYWEGKVTXCNQ-NWANDNLSSA-N 0 0 338.404 2.972 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596369303 479269449 /nfs/dbraw/zinc/26/94/49/479269449.db2.gz OTEFANPAKFALRN-MVWJERBFSA-N 0 0 329.784 2.621 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC000593277503 479271417 /nfs/dbraw/zinc/27/14/17/479271417.db2.gz VPDIPMKACSHGHT-UHFFFAOYSA-N 0 0 346.362 2.953 10 5 EFBERN Cc1cc(OCC(=O)N[C@@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593279491 479272939 /nfs/dbraw/zinc/27/29/39/479272939.db2.gz HDUPHHBTNNWRRH-SFHVURJKSA-N 0 0 348.399 2.603 10 5 EFBERN Cc1c(CC(=O)N[C@@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593278803 479273301 /nfs/dbraw/zinc/27/33/01/479273301.db2.gz ACHVBRYIFBDNAR-SFHVURJKSA-N 0 0 332.400 2.767 10 5 EFBERN C[C@H](C(=O)NCc1cc2n(n1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000603144029 479273259 /nfs/dbraw/zinc/27/32/59/479273259.db2.gz UUIHCTKVBHFJIR-NSHDSACASA-N 0 0 346.362 2.687 10 5 EFBERN CCNc1ccc(C(=O)N[C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593280392 479273972 /nfs/dbraw/zinc/27/39/72/479273972.db2.gz ILAKXTJDUHJKPU-KRWDZBQOSA-N 0 0 347.415 2.962 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](C1CC1)C1CCOCC1 ZINC000593279650 479274198 /nfs/dbraw/zinc/27/41/98/479274198.db2.gz UCXVTGCZGKNQNF-GOSISDBHSA-N 0 0 332.400 2.849 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593279961 479274492 /nfs/dbraw/zinc/27/44/92/479274492.db2.gz OCNJTWVYCWDPDP-QGZVFWFLSA-N 0 0 348.399 2.929 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC3(CC(F)C3)C2)cc1OC ZINC000611077403 479278059 /nfs/dbraw/zinc/27/80/59/479278059.db2.gz RYAVIIMIPCLLHN-UHFFFAOYSA-N 0 0 338.335 2.576 10 5 EFBERN CO[C@H](CSCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000596398937 479278661 /nfs/dbraw/zinc/27/86/61/479278661.db2.gz UNZMECBDDMZIMN-IUODEOHRSA-N 0 0 327.402 2.758 10 5 EFBERN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593292792 479279779 /nfs/dbraw/zinc/27/97/79/479279779.db2.gz BRNBTZGFOOEJEM-OAHLLOKOSA-N 0 0 347.415 2.836 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCC(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000611085634 479279802 /nfs/dbraw/zinc/27/98/02/479279802.db2.gz KKEXZYZELKXOIN-UHFFFAOYSA-N 0 0 343.387 2.856 10 5 EFBERN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCOC1 ZINC000593294753 479280475 /nfs/dbraw/zinc/28/04/75/479280475.db2.gz IMKDWVWQROFSTN-LLVKDONJSA-N 0 0 344.314 2.837 10 5 EFBERN CCC(NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000599395924 479283588 /nfs/dbraw/zinc/28/35/88/479283588.db2.gz MMBWXJNWHPGJJM-UHFFFAOYSA-N 0 0 338.429 2.983 10 5 EFBERN O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@]2(CO)CCOC2)cs1 ZINC000599397902 479283592 /nfs/dbraw/zinc/28/35/92/479283592.db2.gz QWIVLGWQIFRWIN-KRWDZBQOSA-N 0 0 348.424 2.810 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)ccc1[N+](=O)[O-] ZINC000599405255 479286083 /nfs/dbraw/zinc/28/60/83/479286083.db2.gz ZJTBKHCGTHBRPU-NEPJUHHUSA-N 0 0 342.442 2.562 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)n1 ZINC000593307143 479287099 /nfs/dbraw/zinc/28/70/99/479287099.db2.gz KKAMUYQDGLLNJU-CYBMUJFWSA-N 0 0 346.362 2.705 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596420710 479288191 /nfs/dbraw/zinc/28/81/91/479288191.db2.gz ZRPOXERVDNBDII-DYVFJYSZSA-N 0 0 343.383 2.559 10 5 EFBERN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC2(CCC2)O1 ZINC000574452235 479290281 /nfs/dbraw/zinc/29/02/81/479290281.db2.gz CKESLBSXOTWHMV-GFCCVEGCSA-N 0 0 343.387 2.538 10 5 EFBERN CO[C@]1(CO)CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596429111 479291282 /nfs/dbraw/zinc/29/12/82/479291282.db2.gz JGRABCUOTGYEDI-CYBMUJFWSA-N 0 0 334.294 2.591 10 5 EFBERN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593317536 479291400 /nfs/dbraw/zinc/29/14/00/479291400.db2.gz QLYIAKNKJNYMEA-CYBMUJFWSA-N 0 0 333.388 2.567 10 5 EFBERN CO[C@]1(CO)CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000596428380 479291814 /nfs/dbraw/zinc/29/18/14/479291814.db2.gz FOYXGOLOTBSFPP-QGZVFWFLSA-N 0 0 338.404 2.750 10 5 EFBERN COc1cc(NCCN2C[C@@H](C)OC[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428766 479292172 /nfs/dbraw/zinc/29/21/72/479292172.db2.gz HSLDHONWAREAJK-WDEREUQCSA-N 0 0 343.811 2.778 10 5 EFBERN COc1cc(C(=O)N2C[C@H](C)OCC23CCC3)cc([N+](=O)[O-])c1C ZINC000593319524 479292364 /nfs/dbraw/zinc/29/23/64/479292364.db2.gz MFMUPBVZYXZSBW-NSHDSACASA-N 0 0 334.372 2.695 10 5 EFBERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593319001 479292652 /nfs/dbraw/zinc/29/26/52/479292652.db2.gz IBVNTCRBEBAKRN-UHOFOFEASA-N 0 0 330.384 2.868 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H](O)C(F)(F)C3)n2)cc1 ZINC000596433026 479293438 /nfs/dbraw/zinc/29/34/38/479293438.db2.gz RDQQZLREPNPSLB-LBPRGKRZSA-N 0 0 341.339 2.925 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593321794 479293940 /nfs/dbraw/zinc/29/39/40/479293940.db2.gz YTIFUYKHLFPHJR-CQSZACIVSA-N 0 0 325.315 2.578 10 5 EFBERN CCOC(=O)c1cc(N2CC3(CCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596435499 479294038 /nfs/dbraw/zinc/29/40/38/479294038.db2.gz FYEYFLVXAOYJEH-LBPRGKRZSA-N 0 0 334.372 2.919 10 5 EFBERN O=[N+]([O-])c1cc(N2CC[C@@H](O)C(F)(F)C2)ccc1C(F)(F)F ZINC000596434282 479294855 /nfs/dbraw/zinc/29/48/55/479294855.db2.gz VJROKZKGPALVOQ-SNVBAGLBSA-N 0 0 326.221 2.820 10 5 EFBERN CC(C)NC(=O)c1ccc(N2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000596444915 479296771 /nfs/dbraw/zinc/29/67/71/479296771.db2.gz YHVBVDBMMFGAQX-HDICACEKSA-N 0 0 347.415 2.596 10 5 EFBERN O=[N+]([O-])c1cnc(NCCO[C@@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000596446963 479297963 /nfs/dbraw/zinc/29/79/63/479297963.db2.gz JDUUAGAVJPBSHO-MRVPVSSYSA-N 0 0 327.209 2.845 10 5 EFBERN O=[N+]([O-])c1cnc(NCCO[C@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000596446964 479297580 /nfs/dbraw/zinc/29/75/80/479297580.db2.gz JDUUAGAVJPBSHO-QMMMGPOBSA-N 0 0 327.209 2.845 10 5 EFBERN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ncnn21 ZINC000596445936 479297611 /nfs/dbraw/zinc/29/76/11/479297611.db2.gz AYQJTXVBGPVVMQ-CPCISQLKSA-N 0 0 336.739 2.667 10 5 EFBERN Cc1c(Br)c(N2C[C@@H](C)C(=O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000596448121 479297928 /nfs/dbraw/zinc/29/79/28/479297928.db2.gz VMLQEGKDDNSQGJ-HTQZYQBOSA-N 0 0 342.193 2.722 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCO[C@H]1CC1(F)F ZINC000596445969 479298277 /nfs/dbraw/zinc/29/82/77/479298277.db2.gz BEACZTBETUJCRF-LBPRGKRZSA-N 0 0 330.287 2.526 10 5 EFBERN COC(=O)c1cc(NCCO[C@@H]2CC2(F)F)cc(C)c1[N+](=O)[O-] ZINC000596446028 479298325 /nfs/dbraw/zinc/29/83/25/479298325.db2.gz CFHNTYFNUJIBAM-LLVKDONJSA-N 0 0 330.287 2.526 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ncnn21 ZINC000596445947 479298465 /nfs/dbraw/zinc/29/84/65/479298465.db2.gz AYQJTXVBGPVVMQ-RDDDGLTNSA-N 0 0 336.739 2.667 10 5 EFBERN O=[N+]([O-])c1ccc(NCCO[C@@H]2CC2(F)F)nc1-c1ccccc1 ZINC000596448572 479299154 /nfs/dbraw/zinc/29/91/54/479299154.db2.gz VAJIIDPXRSTNGR-CYBMUJFWSA-N 0 0 335.310 2.915 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000596450277 479299919 /nfs/dbraw/zinc/29/99/19/479299919.db2.gz UHTPTJKZRFTSRN-UHFFFAOYSA-N 0 0 338.408 2.667 10 5 EFBERN CC[C@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596453138 479300355 /nfs/dbraw/zinc/30/03/55/479300355.db2.gz GTJICCXEHZTUJD-INIZCTEOSA-N 0 0 347.415 2.896 10 5 EFBERN COc1ccc(S(=O)(=O)NCC[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000599446844 479300497 /nfs/dbraw/zinc/30/04/97/479300497.db2.gz ZCKDPSIABOZPIH-LBPRGKRZSA-N 0 0 340.401 2.628 10 5 EFBERN CCC(F)(F)C(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000599444799 479300714 /nfs/dbraw/zinc/30/07/14/479300714.db2.gz FNZANAXNTIBMNE-UHFFFAOYSA-N 0 0 336.360 2.945 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]1CC=CCC1 ZINC000599445179 479300979 /nfs/dbraw/zinc/30/09/79/479300979.db2.gz LQTZKMSIGZYVPN-GFCCVEGCSA-N 0 0 340.401 2.628 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000596455140 479301546 /nfs/dbraw/zinc/30/15/46/479301546.db2.gz IKYKCMBQXIHSDL-UHFFFAOYSA-N 0 0 327.384 2.909 10 5 EFBERN CC[C@@H](NC(=O)NC[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596456155 479301769 /nfs/dbraw/zinc/30/17/69/479301769.db2.gz ZFVODJDBWHABTD-CZUORRHYSA-N 0 0 335.404 2.754 10 5 EFBERN CC[C@H](NC(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596454692 479301997 /nfs/dbraw/zinc/30/19/97/479301997.db2.gz NZBBETRCNSMJLL-SHUKQUCYSA-N 0 0 335.404 2.704 10 5 EFBERN CCOC(=O)c1cc(N2CCC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596460811 479303910 /nfs/dbraw/zinc/30/39/10/479303910.db2.gz BJNNONYQJVIPBT-KRWDZBQOSA-N 0 0 334.372 2.513 10 5 EFBERN O=C(CN1CC2(C1)CC(F)(F)C2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611180690 479305028 /nfs/dbraw/zinc/30/50/28/479305028.db2.gz PMLSQIIVVMCALG-UHFFFAOYSA-N 0 0 345.733 2.918 10 5 EFBERN COc1ccc(OCCN2CC3(C2)CC(F)(F)C3)c([N+](=O)[O-])c1 ZINC000611180351 479305370 /nfs/dbraw/zinc/30/53/70/479305370.db2.gz FIMCEAQJXGZNTF-UHFFFAOYSA-N 0 0 328.315 2.713 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000596465282 479305974 /nfs/dbraw/zinc/30/59/74/479305974.db2.gz LJVPEFCRYTYMOC-UWVGGRQHSA-N 0 0 332.809 2.934 10 5 EFBERN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CS1(=O)=O ZINC000596467016 479306632 /nfs/dbraw/zinc/30/66/32/479306632.db2.gz VFNJUNSMJOTDNT-QWRGUYRKSA-N 0 0 335.385 2.521 10 5 EFBERN COc1cc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596466574 479306647 /nfs/dbraw/zinc/30/66/47/479306647.db2.gz RVFGAGYNSIIELO-IUCAKERBSA-N 0 0 348.808 2.634 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CS1(=O)=O ZINC000596467384 479306945 /nfs/dbraw/zinc/30/69/45/479306945.db2.gz XODYLDKCIWGWSI-GHMZBOCLSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@@H]1CC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CS1(=O)=O ZINC000596467385 479307266 /nfs/dbraw/zinc/30/72/66/479307266.db2.gz XODYLDKCIWGWSI-MNOVXSKESA-N 0 0 335.385 2.521 10 5 EFBERN O=C(NCCO[C@@H]1CC1(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596468132 479308296 /nfs/dbraw/zinc/30/82/96/479308296.db2.gz ZYIVOKBPVHGXQH-SNVBAGLBSA-N 0 0 335.694 2.794 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000596469982 479309179 /nfs/dbraw/zinc/30/91/79/479309179.db2.gz QNWUAVIKNJJTDW-FTJFQDGESA-N 0 0 331.372 2.605 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000596474275 479309677 /nfs/dbraw/zinc/30/96/77/479309677.db2.gz MIGMQOZYPFKKJD-UTLUCORTSA-N 0 0 330.431 2.908 10 5 EFBERN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000596476230 479310868 /nfs/dbraw/zinc/31/08/68/479310868.db2.gz YHGOMXZXIKQTLR-CZUORRHYSA-N 0 0 343.387 2.861 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H](O)C12CCC2 ZINC000596478427 479311558 /nfs/dbraw/zinc/31/15/58/479311558.db2.gz MLKULJAAFILHGN-NEPJUHHUSA-N 0 0 325.752 2.673 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@@H]3COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000596481624 479311982 /nfs/dbraw/zinc/31/19/82/479311982.db2.gz YUOJLRBUFUDARU-PSLIRLAXSA-N 0 0 340.763 2.508 10 5 EFBERN Cc1cc(N2CC[C@@]3(O)C[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000596482744 479312209 /nfs/dbraw/zinc/31/22/09/479312209.db2.gz VKOJFIHLLNLDRC-TVQRCGJNSA-N 0 0 327.178 2.627 10 5 EFBERN Cc1cc(N2C[C@H]3COC[C@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596483058 479313453 /nfs/dbraw/zinc/31/34/53/479313453.db2.gz OELQEXCWOABFOO-KSSFIOAISA-N 0 0 340.383 2.833 10 5 EFBERN COC(=O)c1occc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596487128 479314309 /nfs/dbraw/zinc/31/43/09/479314309.db2.gz WLWQHUMIHQGQGU-UHFFFAOYSA-N 0 0 331.328 2.860 10 5 EFBERN Cn1cc(C[C@H]2CCC[C@@H]2Nc2ccc([N+](=O)[O-])c(N)c2F)cn1 ZINC000596487229 479314350 /nfs/dbraw/zinc/31/43/50/479314350.db2.gz FOVYPDPYFRJDDL-NEPJUHHUSA-N 0 0 333.367 2.873 10 5 EFBERN COCc1ccnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000593370127 479315152 /nfs/dbraw/zinc/31/51/52/479315152.db2.gz YTTONTREYOSJGI-UHFFFAOYSA-N 0 0 342.355 2.963 10 5 EFBERN COC(=O)C[C@@H](CNc1cc(OC)c([N+](=O)[O-])cc1F)C1CC1 ZINC000596493526 479316248 /nfs/dbraw/zinc/31/62/48/479316248.db2.gz SXJAWEMXVPGUAE-JTQLQIEISA-N 0 0 326.324 2.744 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC3(CC3)CC2)cc1 ZINC000599508246 479316843 /nfs/dbraw/zinc/31/68/43/479316843.db2.gz RDCOVRCQHALVDZ-UHFFFAOYSA-N 0 0 338.429 2.733 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C12CCC2 ZINC000596495894 479317239 /nfs/dbraw/zinc/31/72/39/479317239.db2.gz YHPFWPZBHCOCPC-NEPJUHHUSA-N 0 0 345.403 2.598 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CC3)CC2)c(F)c1 ZINC000599510239 479317570 /nfs/dbraw/zinc/31/75/70/479317570.db2.gz VDFXZKWSZFXPIB-UHFFFAOYSA-N 0 0 328.365 2.689 10 5 EFBERN COc1ccc(CC(=O)Nc2ccnc(SC)c2)cc1[N+](=O)[O-] ZINC000611231222 479317775 /nfs/dbraw/zinc/31/77/75/479317775.db2.gz KYIZORJOSBORHI-UHFFFAOYSA-N 0 0 333.369 2.902 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000611233973 479318368 /nfs/dbraw/zinc/31/83/68/479318368.db2.gz PYLHXNGAZQCMCA-KBPBESRZSA-N 0 0 328.372 2.785 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000596501431 479318630 /nfs/dbraw/zinc/31/86/30/479318630.db2.gz DZKQLYSNCGLJGP-LLVKDONJSA-N 0 0 333.266 2.780 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000596500683 479318704 /nfs/dbraw/zinc/31/87/04/479318704.db2.gz DXAVAJFYWIOZCM-YMTOWFKASA-N 0 0 329.303 2.871 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000596502608 479319580 /nfs/dbraw/zinc/31/95/80/479319580.db2.gz SLXSXZMJERSCQW-ZDUSSCGKSA-N 0 0 333.266 2.622 10 5 EFBERN CSc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000611238471 479319545 /nfs/dbraw/zinc/31/95/45/479319545.db2.gz NFBASPIHIDRXPY-UHFFFAOYSA-N 0 0 329.341 2.840 10 5 EFBERN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1CC1CCC1 ZINC000596502129 479319741 /nfs/dbraw/zinc/31/97/41/479319741.db2.gz HFBOPCIZSYOUJQ-AWEZNQCLSA-N 0 0 335.408 2.546 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC23CC3)c(F)c1 ZINC000599521976 479320658 /nfs/dbraw/zinc/32/06/58/479320658.db2.gz XEBPBGQELILTOY-JTQLQIEISA-N 0 0 328.365 2.593 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000585753372 479321017 /nfs/dbraw/zinc/32/10/17/479321017.db2.gz YEKQVXDEGBCMIZ-LLVKDONJSA-N 0 0 345.399 2.842 10 5 EFBERN O=C([C@H]1CCCC12CC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599531051 479322072 /nfs/dbraw/zinc/32/20/72/479322072.db2.gz GEMWQSBAMIKOCO-GXTWGEPZSA-N 0 0 330.388 2.583 10 5 EFBERN C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000599531077 479322697 /nfs/dbraw/zinc/32/26/97/479322697.db2.gz HGDAWICHFQGTOR-VHSXEESVSA-N 0 0 346.309 2.591 10 5 EFBERN O=C(c1cc(N[C@@H]2C[C@H](O)C23CCC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596511364 479323106 /nfs/dbraw/zinc/32/31/06/479323106.db2.gz PHXAPIAEACEZMP-CVEARBPZSA-N 0 0 345.399 2.546 10 5 EFBERN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCC(F)CC1 ZINC000596513636 479323178 /nfs/dbraw/zinc/32/31/78/479323178.db2.gz AQEVUWPSMCDHCX-WHXUTIOJSA-N 0 0 334.351 2.994 10 5 EFBERN CC1(C)[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1(F)F ZINC000596512620 479323693 /nfs/dbraw/zinc/32/36/93/479323693.db2.gz IANDZDLJZDCOFI-MRVPVSSYSA-N 0 0 336.136 2.877 10 5 EFBERN Cc1c(Br)c(N[C@H]2C[C@@H](O)C23CCC3)ncc1[N+](=O)[O-] ZINC000596515502 479324334 /nfs/dbraw/zinc/32/43/34/479324334.db2.gz YVQQIDJCUOKKHD-VHSXEESVSA-N 0 0 342.193 2.776 10 5 EFBERN Cc1ccc(CN2CCN(C(=O)CC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000611254172 479324853 /nfs/dbraw/zinc/32/48/53/479324853.db2.gz CETMYHLYUVQLIN-UHFFFAOYSA-N 0 0 333.432 2.984 10 5 EFBERN CCS(=O)(=O)C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596520139 479325797 /nfs/dbraw/zinc/32/57/97/479325797.db2.gz CUMAPOBZIQMXOT-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN CC(C)(C)N1C[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])CC1=O ZINC000596519882 479325992 /nfs/dbraw/zinc/32/59/92/479325992.db2.gz MSCIXQINUQXYMV-GFCCVEGCSA-N 0 0 342.399 2.624 10 5 EFBERN CCS(=O)(=O)C1(CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000596521163 479326006 /nfs/dbraw/zinc/32/60/06/479326006.db2.gz LTTWCQBDOSSTHT-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN CCS(=O)(=O)C1(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596520929 479326087 /nfs/dbraw/zinc/32/60/87/479326087.db2.gz LJRCSCWASIJZKV-UHFFFAOYSA-N 0 0 334.344 2.912 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000611256380 479326604 /nfs/dbraw/zinc/32/66/04/479326604.db2.gz ZPRZPBWPMNKXSN-UHFFFAOYSA-N 0 0 341.367 2.775 10 5 EFBERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599544083 479326714 /nfs/dbraw/zinc/32/67/14/479326714.db2.gz ACJRLWZSAOAWEV-MRXNPFEDSA-N 0 0 348.330 2.989 10 5 EFBERN Cc1ccccc1CC1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000596522246 479326840 /nfs/dbraw/zinc/32/68/40/479326840.db2.gz ZJLARIOAESVXOZ-UHFFFAOYSA-N 0 0 327.384 2.657 10 5 EFBERN O=C1CCCN1C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000596525630 479328069 /nfs/dbraw/zinc/32/80/69/479328069.db2.gz RXMFHTIGCRVGFL-ZDUSSCGKSA-N 0 0 340.383 2.592 10 5 EFBERN Cc1nccc([C@@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000611262800 479328647 /nfs/dbraw/zinc/32/86/47/479328647.db2.gz ASTSXOHTDMYYLA-CYBMUJFWSA-N 0 0 328.372 2.778 10 5 EFBERN Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596528164 479328809 /nfs/dbraw/zinc/32/88/09/479328809.db2.gz MESVWVSZIQTXTH-CABCVRRESA-N 0 0 340.383 2.833 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2COC[C@@H]2C1 ZINC000596527309 479329262 /nfs/dbraw/zinc/32/92/62/479329262.db2.gz INVNLSBFEINKFG-UWVGGRQHSA-N 0 0 327.178 2.830 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3CCC(c4ccon4)CC3)c2c1 ZINC000596530682 479330012 /nfs/dbraw/zinc/33/00/12/479330012.db2.gz TUEKQLZXZQYQRT-UHFFFAOYSA-N 0 0 325.328 2.910 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552926 479331384 /nfs/dbraw/zinc/33/13/84/479331384.db2.gz KTERIODNSZQNMK-XQQFMLRXSA-N 0 0 335.429 2.892 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000596536006 479332250 /nfs/dbraw/zinc/33/22/50/479332250.db2.gz PMPOZWJAPOSYLN-CQSZACIVSA-N 0 0 346.431 2.610 10 5 EFBERN O=C1N(CCNc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000596535474 479332266 /nfs/dbraw/zinc/33/22/66/479332266.db2.gz RISOUDAGIFZTSA-LBPRGKRZSA-N 0 0 338.795 2.950 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000596535322 479332543 /nfs/dbraw/zinc/33/25/43/479332543.db2.gz APADPNMAWATDEC-ZDUSSCGKSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596537326 479333287 /nfs/dbraw/zinc/33/32/87/479333287.db2.gz ISJBZUSRIVTVDO-ZDUSSCGKSA-N 0 0 342.399 2.884 10 5 EFBERN C[C@@H](NC(=O)NCC1(O)CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000596539532 479333344 /nfs/dbraw/zinc/33/33/44/479333344.db2.gz DAYZMMKRUDVESZ-UIORMTCPSA-N 0 0 335.404 2.896 10 5 EFBERN CN(C[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596541296 479334752 /nfs/dbraw/zinc/33/47/52/479334752.db2.gz DGOPHVMIJSGFHU-ZDUSSCGKSA-N 0 0 325.368 2.860 10 5 EFBERN Cc1nccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000585810095 479334764 /nfs/dbraw/zinc/33/47/64/479334764.db2.gz ITVWYZMZCIZPHH-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CCOC1(C)C ZINC000596546719 479335198 /nfs/dbraw/zinc/33/51/98/479335198.db2.gz ULUDUVFNFDYEGW-LLVKDONJSA-N 0 0 331.372 2.801 10 5 EFBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](CC(F)(F)F)O1 ZINC000596553051 479337292 /nfs/dbraw/zinc/33/72/92/479337292.db2.gz DDPROUBJJVQUKS-YUMQZZPRSA-N 0 0 337.273 2.862 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000596555625 479337439 /nfs/dbraw/zinc/33/74/39/479337439.db2.gz RNIAVKQICDORMZ-PSASIEDQSA-N 0 0 336.314 2.666 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N1CCO[C@H](CC(F)(F)F)C1 ZINC000596556350 479338260 /nfs/dbraw/zinc/33/82/60/479338260.db2.gz BFFVWAGOJSIPCQ-SSDOTTSWSA-N 0 0 325.674 2.801 10 5 EFBERN Cc1nn(C)c(Oc2cc(CO)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596559914 479338829 /nfs/dbraw/zinc/33/88/29/479338829.db2.gz RPLAWDSHWKCKRH-UHFFFAOYSA-N 0 0 331.250 2.940 10 5 EFBERN CC(C)Oc1nc(N2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596558265 479339413 /nfs/dbraw/zinc/33/94/13/479339413.db2.gz PNYBOIAHABGHIJ-JTQLQIEISA-N 0 0 349.309 2.935 10 5 EFBERN COC(=O)c1cnc([C@@H]2CCCN(c3cccnc3[N+](=O)[O-])C2)s1 ZINC000596568917 479343612 /nfs/dbraw/zinc/34/36/12/479343612.db2.gz FVOHHRBNHPNOJZ-SNVBAGLBSA-N 0 0 348.384 2.617 10 5 EFBERN COC(=O)c1cnc([C@H]2CCCN(c3cccnc3[N+](=O)[O-])C2)s1 ZINC000596568916 479343699 /nfs/dbraw/zinc/34/36/99/479343699.db2.gz FVOHHRBNHPNOJZ-JTQLQIEISA-N 0 0 348.384 2.617 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000596573243 479344220 /nfs/dbraw/zinc/34/42/20/479344220.db2.gz JZKBENJDNZTLTN-BJOHPYRUSA-N 0 0 344.314 2.630 10 5 EFBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc2c(c1)CCCO2 ZINC000596572175 479344243 /nfs/dbraw/zinc/34/42/43/479344243.db2.gz CNURLNWWWWRSFZ-NSHDSACASA-N 0 0 339.355 2.558 10 5 EFBERN C[C@@]1(C(F)F)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CCO1 ZINC000596571939 479344523 /nfs/dbraw/zinc/34/45/23/479344523.db2.gz BJNXYJSACAHOKF-HNNXBMFYSA-N 0 0 327.331 2.729 10 5 EFBERN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000596576101 479345230 /nfs/dbraw/zinc/34/52/30/479345230.db2.gz ZXZBUFSGGXVUEZ-BJOHPYRUSA-N 0 0 338.314 2.787 10 5 EFBERN Cc1nn(C)c(NC[C@@H](C(=O)OC(C)(C)C)C2CCC2)c1[N+](=O)[O-] ZINC000596574183 479345331 /nfs/dbraw/zinc/34/53/31/479345331.db2.gz FAMLRHGJBMCGNA-GFCCVEGCSA-N 0 0 338.408 2.807 10 5 EFBERN Cc1nn(C)c(NC[C@H](C(=O)OC(C)(C)C)C2CCC2)c1[N+](=O)[O-] ZINC000596574184 479345401 /nfs/dbraw/zinc/34/54/01/479345401.db2.gz FAMLRHGJBMCGNA-LBPRGKRZSA-N 0 0 338.408 2.807 10 5 EFBERN Cc1ccn([C@@H](C)Cc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)n1 ZINC000596581546 479347578 /nfs/dbraw/zinc/34/75/78/479347578.db2.gz ZLRPCMPLPMLDGM-JTQLQIEISA-N 0 0 328.332 2.536 10 5 EFBERN COc1cc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000586776985 479350088 /nfs/dbraw/zinc/35/00/88/479350088.db2.gz BGUJIGRBNMZMGP-TVQRCGJNSA-N 0 0 334.294 2.755 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@H](C(F)(F)F)C1 ZINC000593460262 479350906 /nfs/dbraw/zinc/35/09/06/479350906.db2.gz BEDGODRLJSFNJM-ZDUSSCGKSA-N 0 0 327.262 2.911 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H](C)[C@H]3CCCO3)n2)c1 ZINC000596591537 479351697 /nfs/dbraw/zinc/35/16/97/479351697.db2.gz JPPFLKBRFAHNKI-XHDPSFHLSA-N 0 0 347.371 2.935 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)CC(F)(F)F)n2)n1C ZINC000596595093 479352899 /nfs/dbraw/zinc/35/28/99/479352899.db2.gz YFIJJKGBIVITID-UHFFFAOYSA-N 0 0 333.270 2.917 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCOCC2(CCOCC2)C1 ZINC000574818609 479353798 /nfs/dbraw/zinc/35/37/98/479353798.db2.gz QWTAAPNEAQYOIM-UHFFFAOYSA-N 0 0 343.383 2.776 10 5 EFBERN COc1cc(CN2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596597609 479354205 /nfs/dbraw/zinc/35/42/05/479354205.db2.gz UTYPDNAWRMJHHF-UHFFFAOYSA-N 0 0 330.388 2.911 10 5 EFBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593466605 479354412 /nfs/dbraw/zinc/35/44/12/479354412.db2.gz ZHURZDVRPPXLBO-GDLVEWKHSA-N 0 0 326.356 2.564 10 5 EFBERN CC(=O)N1CCC[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593469153 479355775 /nfs/dbraw/zinc/35/57/75/479355775.db2.gz MJYBXSGZEYDXNN-CYBMUJFWSA-N 0 0 328.372 2.813 10 5 EFBERN C[C@@H]1OCC[C@]12CN(c1ccnc3cc([N+](=O)[O-])ccc31)C[C@@H](C)O2 ZINC000593469522 479355863 /nfs/dbraw/zinc/35/58/63/479355863.db2.gz OMUHHSGBDGRUOY-VBHSOAQHSA-N 0 0 343.383 2.916 10 5 EFBERN CC1(C)CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCOC2)O1 ZINC000593471454 479356507 /nfs/dbraw/zinc/35/65/07/479356507.db2.gz YIRAXYHPADTURH-GOSISDBHSA-N 0 0 343.383 2.917 10 5 EFBERN CC[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@]2(CCOC2)O1 ZINC000593471394 479356824 /nfs/dbraw/zinc/35/68/24/479356824.db2.gz XFSMZTUYBMFGIL-KDOFPFPSSA-N 0 0 343.383 2.917 10 5 EFBERN CC[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)S1(=O)=O ZINC000593473545 479357705 /nfs/dbraw/zinc/35/77/05/479357705.db2.gz SBWCFJFBZYKEIJ-AAEUAGOBSA-N 0 0 349.412 2.545 10 5 EFBERN O=C([C@@H]1C[C@H]1C1CCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593475456 479358781 /nfs/dbraw/zinc/35/87/81/479358781.db2.gz FTTUIIQFRWPBCB-CWRNSKLLSA-N 0 0 344.415 2.829 10 5 EFBERN CS(=O)(=O)C1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000593475677 479358792 /nfs/dbraw/zinc/35/87/92/479358792.db2.gz MLYAZEONSYJLIN-UHFFFAOYSA-N 0 0 349.412 2.912 10 5 EFBERN COc1ccc(Cl)c(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000593479293 479359304 /nfs/dbraw/zinc/35/93/04/479359304.db2.gz AAXSHFHVWDMKBG-UHFFFAOYSA-N 0 0 348.790 2.978 10 5 EFBERN CC(C)(C)N1CC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1=O ZINC000593477806 479359940 /nfs/dbraw/zinc/35/99/40/479359940.db2.gz HNFHADCCWWLUCS-AWEZNQCLSA-N 0 0 328.372 2.954 10 5 EFBERN CC(C)(CCNc1ccnc2cc([N+](=O)[O-])ccc21)S(C)(=O)=O ZINC000593480854 479360505 /nfs/dbraw/zinc/36/05/05/479360505.db2.gz XXQQMKDMVOFFMT-UHFFFAOYSA-N 0 0 337.401 2.768 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000596618886 479360480 /nfs/dbraw/zinc/36/04/80/479360480.db2.gz DMQRGZWAURPNMV-NWDGAFQWSA-N 0 0 348.277 2.517 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000593483527 479361235 /nfs/dbraw/zinc/36/12/35/479361235.db2.gz ZIQLBEGEINGFAH-XPTSAGLGSA-N 0 0 341.289 2.893 10 5 EFBERN Cc1nc(-c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)[nH]c1C ZINC000596620928 479361518 /nfs/dbraw/zinc/36/15/18/479361518.db2.gz JEIYCMMEUSBKNK-UHFFFAOYSA-N 0 0 328.332 2.621 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(c2ccc(OC)cn2)CC1 ZINC000593482371 479361704 /nfs/dbraw/zinc/36/17/04/479361704.db2.gz XBGLMWWXRXWGAO-UHFFFAOYSA-N 0 0 345.403 2.907 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(C(C)(C)c2ccc(C)cn2)no1 ZINC000596620225 479361749 /nfs/dbraw/zinc/36/17/49/479361749.db2.gz NILFINUEVALPBT-UHFFFAOYSA-N 0 0 342.359 2.560 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC(C3(O)CC3)CC2)cc1OC(F)F ZINC000593482816 479361752 /nfs/dbraw/zinc/36/17/52/479361752.db2.gz USHFUVFLBXEOBQ-UHFFFAOYSA-N 0 0 328.315 2.938 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000593483526 479361764 /nfs/dbraw/zinc/36/17/64/479361764.db2.gz ZIQLBEGEINGFAH-OTYXRUKQSA-N 0 0 341.289 2.893 10 5 EFBERN C[C@H](NC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1ccccc1[N+](=O)[O-] ZINC000611375990 479361803 /nfs/dbraw/zinc/36/18/03/479361803.db2.gz SRTPICSYOVLSLC-STQMWFEESA-N 0 0 343.387 2.968 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632446 479361874 /nfs/dbraw/zinc/36/18/74/479361874.db2.gz NXKWQAVGCDITFQ-BHVCSQLQSA-N 0 0 328.821 2.734 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)c1 ZINC000599633121 479362326 /nfs/dbraw/zinc/36/23/26/479362326.db2.gz ADBSFTLATANPQE-RRMDADRESA-N 0 0 328.821 2.734 10 5 EFBERN O=c1ccc([C@@H]2CCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)n[nH]1 ZINC000599640870 479364385 /nfs/dbraw/zinc/36/43/85/479364385.db2.gz ICHSMQKJUFNMIJ-AWEZNQCLSA-N 0 0 336.298 2.706 10 5 EFBERN CC[C@@H](OCCNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000593489930 479364496 /nfs/dbraw/zinc/36/44/96/479364496.db2.gz YVCPJMVDDYYYMS-OAHLLOKOSA-N 0 0 344.371 2.669 10 5 EFBERN Cc1c(NC(=O)c2ccnn2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000596630304 479364650 /nfs/dbraw/zinc/36/46/50/479364650.db2.gz JRSJJULEUOTDDJ-UHFFFAOYSA-N 0 0 330.344 2.704 10 5 EFBERN COC(=O)[C@](C)(NC[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000599647300 479367197 /nfs/dbraw/zinc/36/71/97/479367197.db2.gz CGNNITRJOBIWTG-WMLDXEAASA-N 0 0 336.388 2.530 10 5 EFBERN COC(=O)[C@@](C)(NC[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000599647301 479367457 /nfs/dbraw/zinc/36/74/57/479367457.db2.gz CGNNITRJOBIWTG-YOEHRIQHSA-N 0 0 336.388 2.530 10 5 EFBERN COC(=O)[C@](C)(NCc1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000599647257 479367600 /nfs/dbraw/zinc/36/76/00/479367600.db2.gz BJOPUTJTFFAJAA-OAHLLOKOSA-N 0 0 335.385 2.538 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3CCC(Cn4cnnc4)CC3)ccc2c1 ZINC000593501064 479367883 /nfs/dbraw/zinc/36/78/83/479367883.db2.gz UXGABPKLSVANDZ-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN C[C@H]1C[C@@H]1c1noc(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000593500616 479368341 /nfs/dbraw/zinc/36/83/41/479368341.db2.gz DVJRYBQDYGEJCS-FZMZJTMJSA-N 0 0 343.387 2.955 10 5 EFBERN CC(=O)c1cc(N2CCN(C(=O)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000587137540 479369356 /nfs/dbraw/zinc/36/93/56/479369356.db2.gz RIGANVAZEAMONY-UHFFFAOYSA-N 0 0 347.415 2.882 10 5 EFBERN C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593505186 479369572 /nfs/dbraw/zinc/36/95/72/479369572.db2.gz UKSBZLFCFHIZAU-GFCCVEGCSA-N 0 0 325.368 2.860 10 5 EFBERN COC(=O)[C@](C)(NC[C@@H](CC(C)C)OC)c1cccc([N+](=O)[O-])c1 ZINC000599650275 479369809 /nfs/dbraw/zinc/36/98/09/479369809.db2.gz HDBBVIBDFQOWOT-NVXWUHKLSA-N 0 0 338.404 2.634 10 5 EFBERN COc1ccc([C@@H](C)N(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587127627 479370036 /nfs/dbraw/zinc/37/00/36/479370036.db2.gz BBIYTVZFFIUYOE-LLVKDONJSA-N 0 0 331.372 2.875 10 5 EFBERN Cc1cccc(C)c1OCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587257365 479370366 /nfs/dbraw/zinc/37/03/66/479370366.db2.gz FXPFDUPQHKNXRU-UHFFFAOYSA-N 0 0 331.372 2.777 10 5 EFBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)N(C)c1ccccc1 ZINC000587216399 479370889 /nfs/dbraw/zinc/37/08/89/479370889.db2.gz OMIUKXLHGVJTCF-GFCCVEGCSA-N 0 0 330.388 2.606 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(Cl)c(OCCO)c2)c1 ZINC000596647103 479371362 /nfs/dbraw/zinc/37/13/62/479371362.db2.gz AILDOIKVIVSTBP-UHFFFAOYSA-N 0 0 337.759 2.821 10 5 EFBERN Nc1cc(NCc2ccccc2N2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000587405454 479371753 /nfs/dbraw/zinc/37/17/53/479371753.db2.gz QZEWRDJXKLLFKI-UHFFFAOYSA-N 0 0 342.399 2.882 10 5 EFBERN COC(=O)[C@](C)(NCCc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000599653993 479371842 /nfs/dbraw/zinc/37/18/42/479371842.db2.gz PVFXANAIAYRDIW-MRXNPFEDSA-N 0 0 349.412 2.580 10 5 EFBERN Cc1sc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000587416100 479371862 /nfs/dbraw/zinc/37/18/62/479371862.db2.gz NHLJLYYWGKKTII-WKEGUHRASA-N 0 0 338.307 2.757 10 5 EFBERN CN(CCCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000587425621 479371947 /nfs/dbraw/zinc/37/19/47/479371947.db2.gz OOJSCLFAQQHCCZ-UHFFFAOYSA-N 0 0 344.415 2.998 10 5 EFBERN CC(=O)c1ccc(N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)c([N+](=O)[O-])c1 ZINC000603401162 479371932 /nfs/dbraw/zinc/37/19/32/479371932.db2.gz ZZXJQGKVUABCLI-DLBZAZTESA-N 0 0 347.415 2.709 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000587425016 479371960 /nfs/dbraw/zinc/37/19/60/479371960.db2.gz ADIOVZPSKGHRTE-SKDRFNHKSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000587416216 479372002 /nfs/dbraw/zinc/37/20/02/479372002.db2.gz SKXRDTLNEXRLPS-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN C[C@H](C(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000587416349 479372046 /nfs/dbraw/zinc/37/20/46/479372046.db2.gz YNKYTDWZTMGTFR-KWBADKCTSA-N 0 0 346.305 2.877 10 5 EFBERN Cc1cc(C)cc(OCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587446690 479372541 /nfs/dbraw/zinc/37/25/41/479372541.db2.gz SAKFULOJDBKOJX-UHFFFAOYSA-N 0 0 331.372 2.777 10 5 EFBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)COCc1ccccc1 ZINC000587439236 479372836 /nfs/dbraw/zinc/37/28/36/479372836.db2.gz JTHQKUWPJARFOO-CYBMUJFWSA-N 0 0 345.399 2.934 10 5 EFBERN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCc2ccc(F)cc21 ZINC000593518916 479375299 /nfs/dbraw/zinc/37/52/99/479375299.db2.gz VWPPJLTZNWMXGD-NSHDSACASA-N 0 0 341.346 2.943 10 5 EFBERN COc1cc(N[C@H]2CCCc3c2ccc(=O)n3C)c(F)cc1[N+](=O)[O-] ZINC000593519961 479375508 /nfs/dbraw/zinc/37/55/08/479375508.db2.gz KAEHBZGTYQGRHX-LBPRGKRZSA-N 0 0 347.346 2.931 10 5 EFBERN Nc1cc(NC[C@@H]2CCc3ccccc3N2)cc(CO)c1[N+](=O)[O-] ZINC000587862069 479376298 /nfs/dbraw/zinc/37/62/98/479376298.db2.gz CLEKSDLKZHGTAF-ZDUSSCGKSA-N 0 0 328.372 2.508 10 5 EFBERN COC(=O)[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593520556 479376386 /nfs/dbraw/zinc/37/63/86/479376386.db2.gz AGQBHYXYDJIGCJ-UONOGXRCSA-N 0 0 341.367 2.778 10 5 EFBERN Nc1cc(N2CC[C@@H](c3cccc(F)c3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587881914 479377129 /nfs/dbraw/zinc/37/71/29/479377129.db2.gz JDDNUNAXYPFEQO-GFCCVEGCSA-N 0 0 331.347 2.802 10 5 EFBERN COCc1cc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)ccc1F ZINC000587973255 479377826 /nfs/dbraw/zinc/37/78/26/479377826.db2.gz ZSBPIUSKGVWBPV-UHFFFAOYSA-N 0 0 335.335 2.567 10 5 EFBERN COC(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599663473 479378110 /nfs/dbraw/zinc/37/81/10/479378110.db2.gz ZXLCPIFJLGTLEK-ZNMIVQPWSA-N 0 0 348.399 2.637 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)nc1 ZINC000593529276 479378230 /nfs/dbraw/zinc/37/82/30/479378230.db2.gz BCHVDWUIDYJXPF-CQSZACIVSA-N 0 0 333.369 2.516 10 5 EFBERN CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593532590 479379007 /nfs/dbraw/zinc/37/90/07/479379007.db2.gz XWRYXLNGXFSAOC-OAHLLOKOSA-N 0 0 349.412 2.708 10 5 EFBERN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000596664742 479379251 /nfs/dbraw/zinc/37/92/51/479379251.db2.gz DJHZYTIDTHKERK-AWEZNQCLSA-N 0 0 342.399 2.977 10 5 EFBERN C[C@@H]1CO[C@H](c2ccccc2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587992502 479379728 /nfs/dbraw/zinc/37/97/28/479379728.db2.gz SBNLEOLMLWCOKF-PXAZEXFGSA-N 0 0 343.383 2.636 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCC[C@@H]1CCCC[C@@H]1O ZINC000593537994 479380980 /nfs/dbraw/zinc/38/09/80/479380980.db2.gz KFORQMYTZGLDNL-LRDDRELGSA-N 0 0 338.379 2.724 10 5 EFBERN CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@@H]1CCCCO1 ZINC000587996717 479381101 /nfs/dbraw/zinc/38/11/01/479381101.db2.gz KEAAJCMGUXYNHR-AWEZNQCLSA-N 0 0 346.387 2.673 10 5 EFBERN Nc1cc(N2CCc3c(F)cc(F)cc3C2)cc(CO)c1[N+](=O)[O-] ZINC000588001627 479381716 /nfs/dbraw/zinc/38/17/16/479381716.db2.gz RAKJMWSXHFEAQG-UHFFFAOYSA-N 0 0 335.310 2.510 10 5 EFBERN Nc1cc(NCc2ccn(C3CCCC3)n2)cc(CO)c1[N+](=O)[O-] ZINC000588002797 479382287 /nfs/dbraw/zinc/38/22/87/479382287.db2.gz NDJBTFSKIFZQOB-UHFFFAOYSA-N 0 0 331.376 2.593 10 5 EFBERN Nc1cc(N2CCc3c4ccccc4[nH]c3C2)cc(CO)c1[N+](=O)[O-] ZINC000588008325 479382809 /nfs/dbraw/zinc/38/28/09/479382809.db2.gz AWNYAVWXIOFPKI-UHFFFAOYSA-N 0 0 338.367 2.713 10 5 EFBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc([S@@](C)=O)cc1 ZINC000588006962 479383055 /nfs/dbraw/zinc/38/30/55/479383055.db2.gz PBWZXUMIQSQDIL-CCGUKBGLSA-N 0 0 349.412 2.580 10 5 EFBERN Cc1cc(N2CCN(C(=O)C(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444578 479382887 /nfs/dbraw/zinc/38/28/87/479382887.db2.gz BDLDRDORNNAGGX-UHFFFAOYSA-N 0 0 342.399 2.756 10 5 EFBERN Nc1cc(N2CCS[C@@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588005103 479383004 /nfs/dbraw/zinc/38/30/04/479383004.db2.gz MKTKZKLJLQEPSR-MRXNPFEDSA-N 0 0 345.424 2.964 10 5 EFBERN CCC(CC)[C@@H](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)OC ZINC000588004535 479383012 /nfs/dbraw/zinc/38/30/12/479383012.db2.gz MSHICPGWTNSDTO-OAHLLOKOSA-N 0 0 325.409 2.923 10 5 EFBERN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc([S@@](C)=O)cc1 ZINC000588006964 479383283 /nfs/dbraw/zinc/38/32/83/479383283.db2.gz PBWZXUMIQSQDIL-VKTRGTBVSA-N 0 0 349.412 2.580 10 5 EFBERN CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588012667 479383644 /nfs/dbraw/zinc/38/36/44/479383644.db2.gz XICWAGMTYNVRST-QGHHPUGFSA-N 0 0 349.362 2.997 10 5 EFBERN Nc1cc(N2CC[C@@H](COc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588014013 479383818 /nfs/dbraw/zinc/38/38/18/479383818.db2.gz GEPVHXKXUYKPCF-CYBMUJFWSA-N 0 0 343.383 2.575 10 5 EFBERN C[C@H]1CC[C@@H](C(F)(F)F)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588014063 479384090 /nfs/dbraw/zinc/38/40/90/479384090.db2.gz NXCROQRMHUXXRH-WCBMZHEXSA-N 0 0 333.310 2.837 10 5 EFBERN CCCCCn1cc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)n1 ZINC000588009656 479384144 /nfs/dbraw/zinc/38/41/44/479384144.db2.gz LGWZYEBOWOQGGH-UHFFFAOYSA-N 0 0 347.419 2.977 10 5 EFBERN CC(C)(C)OC(=O)CCCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588012140 479384209 /nfs/dbraw/zinc/38/42/09/479384209.db2.gz YEEQOTGLISAFRL-UHFFFAOYSA-N 0 0 339.392 2.593 10 5 EFBERN CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588012664 479384236 /nfs/dbraw/zinc/38/42/36/479384236.db2.gz XICWAGMTYNVRST-BMLIUANNSA-N 0 0 349.362 2.997 10 5 EFBERN Cc1ccc(C2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)cn1 ZINC000588015263 479384578 /nfs/dbraw/zinc/38/45/78/479384578.db2.gz ZXEBGFQILUEFSR-UHFFFAOYSA-N 0 0 342.399 2.757 10 5 EFBERN C[C@@H]1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2)C1 ZINC000588014756 479384775 /nfs/dbraw/zinc/38/47/75/479384775.db2.gz YIPGPPBASXMRBW-XIKOKIGWSA-N 0 0 344.415 2.802 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](OC(F)F)C1 ZINC000588014455 479384994 /nfs/dbraw/zinc/38/49/94/479384994.db2.gz LMZAQNZYTVURRQ-SNVBAGLBSA-N 0 0 344.314 2.898 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(O)CCCC(C)(C)C2)n1 ZINC000588027466 479385548 /nfs/dbraw/zinc/38/55/48/479385548.db2.gz CUWORNCIUJYFNL-MRXNPFEDSA-N 0 0 337.376 2.520 10 5 EFBERN CCC[C@H]1[C@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553428 479386269 /nfs/dbraw/zinc/38/62/69/479386269.db2.gz XHTMUFGTWDKOQP-YPMHNXCESA-N 0 0 327.406 2.579 10 5 EFBERN Nc1cc(NC[C@@H]2CCC3(CCCCC3)O2)cc(CO)c1[N+](=O)[O-] ZINC000588031720 479386381 /nfs/dbraw/zinc/38/63/81/479386381.db2.gz NWCDJPUKRNUPMH-AWEZNQCLSA-N 0 0 335.404 2.963 10 5 EFBERN Nc1cc(NCCc2cccc3[nH]ccc32)cc(CO)c1[N+](=O)[O-] ZINC000588042554 479387286 /nfs/dbraw/zinc/38/72/86/479387286.db2.gz NEESDBHCVJHQMZ-UHFFFAOYSA-N 0 0 326.356 2.805 10 5 EFBERN C[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593567275 479389071 /nfs/dbraw/zinc/38/90/71/479389071.db2.gz BHSLXWDCEZJWLS-BZNIZROVSA-N 0 0 347.396 2.592 10 5 EFBERN O=C(Nc1cnc2c(c1)COCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000611480184 479390200 /nfs/dbraw/zinc/39/02/00/479390200.db2.gz LNPNRGSNILPDPV-UHFFFAOYSA-N 0 0 338.323 2.796 10 5 EFBERN C[C@H](C(=O)N[C@H]1COc2ccc(F)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000575034927 479390648 /nfs/dbraw/zinc/39/06/48/479390648.db2.gz INQXXVJMBYXFEP-XHDPSFHLSA-N 0 0 344.342 2.957 10 5 EFBERN COC[C@@]1(C)CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000599693000 479393906 /nfs/dbraw/zinc/39/39/06/479393906.db2.gz NBOKONQZFGLCBL-QGZVFWFLSA-N 0 0 338.404 2.619 10 5 EFBERN C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1F ZINC000611496936 479396890 /nfs/dbraw/zinc/39/68/90/479396890.db2.gz FWUQHWNNUPCVQJ-WCBMZHEXSA-N 0 0 336.772 2.617 10 5 EFBERN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000611502717 479397090 /nfs/dbraw/zinc/39/70/90/479397090.db2.gz XFUYPCQCDHBCTD-MDZLAQPJSA-N 0 0 339.367 2.610 10 5 EFBERN C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611502630 479397664 /nfs/dbraw/zinc/39/76/64/479397664.db2.gz WMDGGFCSDVWPSO-KOLCDFICSA-N 0 0 329.759 2.867 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC2(F)F)c(Cl)c1 ZINC000588144365 479397772 /nfs/dbraw/zinc/39/77/72/479397772.db2.gz GONABUSXGRUNTM-SNVBAGLBSA-N 0 0 340.735 2.714 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144329 479398287 /nfs/dbraw/zinc/39/82/87/479398287.db2.gz FAXOCAZIFBQMER-LBPRGKRZSA-N 0 0 334.344 2.678 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](F)C2)cc1OC ZINC000611505408 479398476 /nfs/dbraw/zinc/39/84/76/479398476.db2.gz FLXPJOXFGZIRFF-ZYHUDNBSSA-N 0 0 340.351 2.822 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](F)C2)cc([N+](=O)[O-])c1 ZINC000611505925 479398819 /nfs/dbraw/zinc/39/88/19/479398819.db2.gz FXUGXUZRYQGYPK-HZMBPMFUSA-N 0 0 338.335 2.592 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1F ZINC000611506897 479399193 /nfs/dbraw/zinc/39/91/93/479399193.db2.gz SYDVTJCEBCRUGD-BXUZGUMPSA-N 0 0 332.335 2.601 10 5 EFBERN C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1F ZINC000611506199 479399460 /nfs/dbraw/zinc/39/94/60/479399460.db2.gz IFSGQGWSPAMGNE-RYUDHWBXSA-N 0 0 332.335 2.601 10 5 EFBERN C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1F ZINC000611507296 479399498 /nfs/dbraw/zinc/39/94/98/479399498.db2.gz ZZICVRCIUJISLP-YPMHNXCESA-N 0 0 347.346 2.728 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1F ZINC000611506584 479399678 /nfs/dbraw/zinc/39/96/78/479399678.db2.gz OURNFFSAUOYLPT-RNCFNFMXSA-N 0 0 333.319 2.669 10 5 EFBERN COc1cc(Cn2cnc3sc(C)cc3c2=O)ccc1[N+](=O)[O-] ZINC000611509494 479400702 /nfs/dbraw/zinc/40/07/02/479400702.db2.gz YQAPPRVJBBSUQY-UHFFFAOYSA-N 0 0 331.353 2.732 10 5 EFBERN CCOC(=O)c1cc(C(=O)N[C@H]2CCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000588180609 479403799 /nfs/dbraw/zinc/40/37/99/479403799.db2.gz DXXFIZADBYAZJK-LBPRGKRZSA-N 0 0 342.298 2.689 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000575125318 479407306 /nfs/dbraw/zinc/40/73/06/479407306.db2.gz AFLPDHWRIQAZIO-GZBFAFLISA-N 0 0 348.399 2.716 10 5 EFBERN CC1(C)CCC[C@@](O)(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593640827 479410817 /nfs/dbraw/zinc/41/08/17/479410817.db2.gz RJMAYAUQNMHLLO-KRWDZBQOSA-N 0 0 338.379 2.724 10 5 EFBERN C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593651377 479413243 /nfs/dbraw/zinc/41/32/43/479413243.db2.gz POHLOGCVKZXSRX-ZDUSSCGKSA-N 0 0 346.408 2.945 10 5 EFBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC(C)(C)C ZINC000575179519 479415405 /nfs/dbraw/zinc/41/54/05/479415405.db2.gz TWTLWLMIMDUIGW-CYBMUJFWSA-N 0 0 347.371 2.926 10 5 EFBERN COc1ccc(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000611560782 479415632 /nfs/dbraw/zinc/41/56/32/479415632.db2.gz VJROTROUEHQNJV-MRXNPFEDSA-N 0 0 339.355 2.933 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC12CCCC2 ZINC000593661031 479415720 /nfs/dbraw/zinc/41/57/20/479415720.db2.gz GPOHZOPPQKYNAF-UHFFFAOYSA-N 0 0 331.372 2.695 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593666200 479416642 /nfs/dbraw/zinc/41/66/42/479416642.db2.gz RNVSIBFGYCNZAO-ZDUSSCGKSA-N 0 0 346.355 2.631 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593667503 479417064 /nfs/dbraw/zinc/41/70/64/479417064.db2.gz WUJCGGQRHYEEHZ-ZDUSSCGKSA-N 0 0 346.355 2.577 10 5 EFBERN CCn1cc([C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000588587913 479422124 /nfs/dbraw/zinc/42/21/24/479422124.db2.gz DBDRJHLIEZODCC-LZCIBIBXSA-N 0 0 342.399 2.898 10 5 EFBERN CC(C)(NC(=O)NCCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000596774304 479422424 /nfs/dbraw/zinc/42/24/24/479422424.db2.gz SADJYVVHODRHFR-LBPRGKRZSA-N 0 0 343.330 2.553 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](OC(F)F)C1 ZINC000611579053 479423611 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EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000596787717 479427273 /nfs/dbraw/zinc/42/72/73/479427273.db2.gz KGGHVJPPYFMOOE-ONGXEEELSA-N 0 0 330.348 2.631 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599801828 479429250 /nfs/dbraw/zinc/42/92/50/479429250.db2.gz XLAKGESBOGJTJG-ZYPMPIKKSA-N 0 0 342.783 2.764 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cccc(O)c3)CC2)n1 ZINC000611615655 479429606 /nfs/dbraw/zinc/42/96/06/479429606.db2.gz VTALFXSKRSNGEB-UHFFFAOYSA-N 0 0 328.372 2.639 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000611615672 479430022 /nfs/dbraw/zinc/43/00/22/479430022.db2.gz BFFHNVDMIDGEAL-UHFFFAOYSA-N 0 0 344.371 2.916 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(O)c3)C2)n1 ZINC000611617081 479430657 /nfs/dbraw/zinc/43/06/57/479430657.db2.gz BUQOMBSMXACAEM-OAHLLOKOSA-N 0 0 329.356 2.890 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1 ZINC000611616380 479430691 /nfs/dbraw/zinc/43/06/91/479430691.db2.gz ZJPBQYNSCSITOY-CQSZACIVSA-N 0 0 348.447 2.984 10 5 EFBERN CCN(CC)C(=O)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616974 479431016 /nfs/dbraw/zinc/43/10/16/479431016.db2.gz ZCGWLCMQJUTALX-UHFFFAOYSA-N 0 0 334.420 2.691 10 5 EFBERN C[C@@H]1COCC[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599825934 479440008 /nfs/dbraw/zinc/44/00/08/479440008.db2.gz SRSRRPXVSHBFLS-PSASIEDQSA-N 0 0 343.177 2.512 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000596818037 479440356 /nfs/dbraw/zinc/44/03/56/479440356.db2.gz YINMAXGREVGXRM-HNNXBMFYSA-N 0 0 339.355 2.566 10 5 EFBERN C[C@@H](O)C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829764 479442039 /nfs/dbraw/zinc/44/20/39/479442039.db2.gz LFFYPDFSYFDYFU-WDEREUQCSA-N 0 0 332.360 2.672 10 5 EFBERN C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829763 479442622 /nfs/dbraw/zinc/44/26/22/479442622.db2.gz LFFYPDFSYFDYFU-QWRGUYRKSA-N 0 0 332.360 2.672 10 5 EFBERN C[C@@H](O)C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831577 479443684 /nfs/dbraw/zinc/44/36/84/479443684.db2.gz OXMMXRJLFKGWHY-VXGBXAGGSA-N 0 0 344.371 2.910 10 5 EFBERN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596826186 479443833 /nfs/dbraw/zinc/44/38/33/479443833.db2.gz XSPUSENCCQQADR-CQSZACIVSA-N 0 0 334.372 2.579 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000588816148 479443979 /nfs/dbraw/zinc/44/39/79/479443979.db2.gz LYBOGPZRDDLPGW-KBPBESRZSA-N 0 0 341.770 2.507 10 5 EFBERN C[C@@H]1OCC[C@]1(C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832529 479444187 /nfs/dbraw/zinc/44/41/87/479444187.db2.gz FGPCIEHYVHAGTC-QFYYESIMSA-N 0 0 330.344 2.832 10 5 EFBERN CC(C)c1ccc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000588816540 479444391 /nfs/dbraw/zinc/44/43/91/479444391.db2.gz WQALVOZAHPNLMF-HZPDHXFCSA-N 0 0 349.406 2.977 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCOC[C@@H]1C1CC1 ZINC000599833755 479444440 /nfs/dbraw/zinc/44/44/40/479444440.db2.gz YDNJBLJMYMFEBX-MRXNPFEDSA-N 0 0 342.355 2.786 10 5 EFBERN CN(CC1(O)CCC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832749 479444618 /nfs/dbraw/zinc/44/46/18/479444618.db2.gz IZMMVLYGINWGHA-UHFFFAOYSA-N 0 0 330.344 2.522 10 5 EFBERN CC[C@]1(O)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832931 479444767 /nfs/dbraw/zinc/44/47/67/479444767.db2.gz NQTZZQBXTDNDPL-INIZCTEOSA-N 0 0 330.344 2.522 10 5 EFBERN Nc1cc(NCc2nc(-c3cccs3)c[nH]2)cc(CO)c1[N+](=O)[O-] ZINC000588834470 479445460 /nfs/dbraw/zinc/44/54/60/479445460.db2.gz DNDZMBZZZNFPNX-UHFFFAOYSA-N 0 0 345.384 2.733 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@]2(CNc3ccccc32)C1 ZINC000588832720 479445581 /nfs/dbraw/zinc/44/55/81/479445581.db2.gz YAGRERCMPNSFNT-QGZVFWFLSA-N 0 0 327.388 2.693 10 5 EFBERN CCOC(=O)CCC1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000588823967 479445638 /nfs/dbraw/zinc/44/56/38/479445638.db2.gz PJYNACLIVVQMIU-UHFFFAOYSA-N 0 0 338.408 2.679 10 5 EFBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@]1(C)CO ZINC000599834993 479445694 /nfs/dbraw/zinc/44/56/94/479445694.db2.gz RIBRNFFDCXWMPF-APPDUMDISA-N 0 0 344.371 2.625 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H](C)C1O ZINC000599834907 479446095 /nfs/dbraw/zinc/44/60/95/479446095.db2.gz OVGSRJNEWMKNGS-GHMZBOCLSA-N 0 0 344.371 2.624 10 5 EFBERN CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CO1 ZINC000599835359 479446936 /nfs/dbraw/zinc/44/69/36/479446936.db2.gz UVGMHUDBYITYGR-SNVBAGLBSA-N 0 0 330.344 2.832 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H](CO)CC1CCC1 ZINC000599836209 479447031 /nfs/dbraw/zinc/44/70/31/479447031.db2.gz PZLMJBJOBMCNKZ-LBPRGKRZSA-N 0 0 344.371 2.816 10 5 EFBERN COCC1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC000599835770 479447105 /nfs/dbraw/zinc/44/71/05/479447105.db2.gz OEOFZGWXZPTXSK-UHFFFAOYSA-N 0 0 330.344 2.834 10 5 EFBERN C[C@H]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)O1 ZINC000599838593 479448036 /nfs/dbraw/zinc/44/80/36/479448036.db2.gz LBHUGEXDKPIUBF-QWRGUYRKSA-N 0 0 330.344 2.832 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@H](CO)c3ccc(Cl)cc3)nc2c1 ZINC000588847638 479449158 /nfs/dbraw/zinc/44/91/58/479449158.db2.gz QXPHRUYFHFLFMU-LLVKDONJSA-N 0 0 346.774 2.734 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(O)CCC(F)(F)CC1 ZINC000596840988 479450161 /nfs/dbraw/zinc/45/01/61/479450161.db2.gz CCBCLOFWCQAABG-UHFFFAOYSA-N 0 0 343.330 2.965 10 5 EFBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC000593757266 479450220 /nfs/dbraw/zinc/45/02/20/479450220.db2.gz PHJSHVDNEWWVEA-AWEZNQCLSA-N 0 0 335.314 2.626 10 5 EFBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC12CCCC2 ZINC000593758164 479450292 /nfs/dbraw/zinc/45/02/92/479450292.db2.gz SASXQPGOFNZYGH-UHFFFAOYSA-N 0 0 326.356 2.939 10 5 EFBERN C[C@H](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599840888 479450276 /nfs/dbraw/zinc/45/02/76/479450276.db2.gz VAGYNQVJSJSXHV-NSHDSACASA-N 0 0 332.360 2.673 10 5 EFBERN O=C1[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CCN1c1ccccc1 ZINC000611707362 479451266 /nfs/dbraw/zinc/45/12/66/479451266.db2.gz OOQFXISFCRZVLP-INIZCTEOSA-N 0 0 349.350 2.755 10 5 EFBERN Cc1ccc(S(=O)(=O)NCc2ccc(Cl)o2)cc1[N+](=O)[O-] ZINC000603912480 479451527 /nfs/dbraw/zinc/45/15/27/479451527.db2.gz AWJHGFAXCWXHEB-UHFFFAOYSA-N 0 0 330.749 2.628 10 5 EFBERN COC(=O)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000596843129 479451515 /nfs/dbraw/zinc/45/15/15/479451515.db2.gz PYJQQGRHBRKRMH-GFCCVEGCSA-N 0 0 335.360 2.614 10 5 EFBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC)[C@H]1CCCOC1 ZINC000593761442 479451746 /nfs/dbraw/zinc/45/17/46/479451746.db2.gz NTGLEUXAFYDAJV-HNNXBMFYSA-N 0 0 345.403 2.879 10 5 EFBERN C[C@@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000588887062 479451907 /nfs/dbraw/zinc/45/19/07/479451907.db2.gz NMQXRANCUHCROF-NSHDSACASA-N 0 0 330.388 2.964 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCN(CC(F)(F)F)C3)c2c1 ZINC000611708190 479453140 /nfs/dbraw/zinc/45/31/40/479453140.db2.gz LBLRHCBSEVCJFQ-SECBINFHSA-N 0 0 341.293 2.587 10 5 EFBERN CSc1cccc(C(=O)N2CCC(C3(O)CC3)CC2)c1[N+](=O)[O-] ZINC000593769781 479454259 /nfs/dbraw/zinc/45/42/59/479454259.db2.gz NATGKCOXRXPJPB-UHFFFAOYSA-N 0 0 336.413 2.694 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C2(O)CC2)CC1 ZINC000593771240 479454377 /nfs/dbraw/zinc/45/43/77/479454377.db2.gz XKLFLOIGEXWFPY-OAHLLOKOSA-N 0 0 346.427 2.927 10 5 EFBERN Cc1ccc(C(=O)NC[C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593771961 479454673 /nfs/dbraw/zinc/45/46/73/479454673.db2.gz GFGNNCQJDBSWOI-LJQANCHMSA-N 0 0 340.379 2.510 10 5 EFBERN COc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cnc1OC ZINC000599849529 479454835 /nfs/dbraw/zinc/45/48/35/479454835.db2.gz HZSDANIIDVMGFK-UHFFFAOYSA-N 0 0 346.343 2.637 10 5 EFBERN COC(=O)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000603936827 479455492 /nfs/dbraw/zinc/45/54/92/479455492.db2.gz VWTKIRZZURTVOH-JTQLQIEISA-N 0 0 326.374 2.523 10 5 EFBERN Cc1c(C(=O)NC[C@@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000593772027 479455557 /nfs/dbraw/zinc/45/55/57/479455557.db2.gz IQSCNRLWTINIDS-LJQANCHMSA-N 0 0 340.379 2.510 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cnc(C2CC2)nc1 ZINC000588920842 479457974 /nfs/dbraw/zinc/45/79/74/479457974.db2.gz ZVZSXTUBXRICPA-UHFFFAOYSA-N 0 0 334.282 2.722 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000618470544 479458626 /nfs/dbraw/zinc/45/86/26/479458626.db2.gz PGZWMVUYOZHMQN-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN CCc1n[nH]c(C(=O)NCCO[C@H](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000593787229 479459506 /nfs/dbraw/zinc/45/95/06/479459506.db2.gz PJXIHCOTGBPQPQ-CQSZACIVSA-N 0 0 346.387 2.778 10 5 EFBERN Cc1noc(C)c1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000588937058 479462179 /nfs/dbraw/zinc/46/21/79/479462179.db2.gz VXCMMXSJKDPIOD-UHFFFAOYSA-N 0 0 325.271 2.683 10 5 EFBERN COC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC(F)(F)CC1 ZINC000596867398 479462932 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CC(C)(C)OC(=O)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596895350 479476736 /nfs/dbraw/zinc/47/67/36/479476736.db2.gz FVRHWQMTOHRQIP-HNNXBMFYSA-N 0 0 348.399 2.621 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@@H]1c1ccccc1 ZINC000596895771 479476922 /nfs/dbraw/zinc/47/69/22/479476922.db2.gz IJZBVWGBAGWTGL-MSOLQXFVSA-N 0 0 340.379 2.684 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000599945747 479478106 /nfs/dbraw/zinc/47/81/06/479478106.db2.gz MWVVRKRNRJWVPH-PXDYOCJYSA-N 0 0 345.399 2.794 10 5 EFBERN C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000589104118 479478115 /nfs/dbraw/zinc/47/81/15/479478115.db2.gz RGNUVOKBEHTGHL-SNVBAGLBSA-N 0 0 344.762 2.819 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CC(=O)OC)C1CC1 ZINC000596912168 479483543 /nfs/dbraw/zinc/48/35/43/479483543.db2.gz COMZTFBEVVURLN-CYBMUJFWSA-N 0 0 349.387 2.868 10 5 EFBERN Cc1c(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)oc2c1cccc2C ZINC000593850235 479484412 /nfs/dbraw/zinc/48/44/12/479484412.db2.gz RLVNPLPBWBBKRW-UHFFFAOYSA-N 0 0 342.355 2.964 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000611800155 479486801 /nfs/dbraw/zinc/48/68/01/479486801.db2.gz QTHPMIVAXVYCAV-MRXNPFEDSA-N 0 0 340.383 2.764 10 5 EFBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]1C1CC1 ZINC000599981965 479486795 /nfs/dbraw/zinc/48/67/95/479486795.db2.gz HVBWGPZNJGFGGZ-JTQLQIEISA-N 0 0 325.162 2.982 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599992261 479489879 /nfs/dbraw/zinc/48/98/79/479489879.db2.gz KCGRHWNRAZNEID-HZSPNIEDSA-N 0 0 345.399 2.703 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC000575866443 479490340 /nfs/dbraw/zinc/49/03/40/479490340.db2.gz RKUGKKITVBYZFP-GMSGAONNSA-N 0 0 344.165 2.656 10 5 EFBERN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nccn1C ZINC000596930724 479492284 /nfs/dbraw/zinc/49/22/84/479492284.db2.gz DQBNCFUNMCEOLB-LBPRGKRZSA-N 0 0 343.387 2.764 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C(=O)NCC2CC=CC2)cc1[N+](=O)[O-] ZINC000600010467 479493950 /nfs/dbraw/zinc/49/39/50/479493950.db2.gz JANWKMJEDPDSMW-UHFFFAOYSA-N 0 0 345.399 2.913 10 5 EFBERN Cc1c(NC(=O)C(=O)NCC[C@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000600044223 479501295 /nfs/dbraw/zinc/50/12/95/479501295.db2.gz QTLNKYUMXMNFCN-ZDUSSCGKSA-N 0 0 331.372 2.704 10 5 EFBERN CCn1nnc(C)c1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600050777 479503453 /nfs/dbraw/zinc/50/34/53/479503453.db2.gz OIZLJBUZGHWWHG-UHFFFAOYSA-N 0 0 331.376 2.568 10 5 EFBERN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C(F)(F)F)O1 ZINC000618584837 479505371 /nfs/dbraw/zinc/50/53/71/479505371.db2.gz QYFSWKQMTGUIKI-WRWORJQWSA-N 0 0 330.266 2.627 10 5 EFBERN COC(=O)C(C)(C)[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618585252 479505409 /nfs/dbraw/zinc/50/54/09/479505409.db2.gz UEETZBIMOHUSSS-NSHDSACASA-N 0 0 346.387 2.887 10 5 EFBERN CC(C)(C)c1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)no1 ZINC000589252779 479506226 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Cc1cn2c(n1)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000611892975 479516777 /nfs/dbraw/zinc/51/67/77/479516777.db2.gz JNWHIHUAFWYJGA-UHFFFAOYSA-N 0 0 326.312 2.502 10 5 EFBERN COc1ccc(N2C(=O)N[C@H](C3CCCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000593950185 479517422 /nfs/dbraw/zinc/51/74/22/479517422.db2.gz DDVDVZCQGLMAQI-OAHLLOKOSA-N 0 0 347.371 2.999 10 5 EFBERN O=C(C[C@H]1OCc2ccccc21)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000593976557 479530642 /nfs/dbraw/zinc/53/06/42/479530642.db2.gz RGDPVQTWNNLQRN-QGZVFWFLSA-N 0 0 342.351 2.751 10 5 EFBERN Cc1cccc2c1OC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000589485632 479532044 /nfs/dbraw/zinc/53/20/44/479532044.db2.gz QMMNIPDPGIMNAW-AWEZNQCLSA-N 0 0 326.352 2.945 10 5 EFBERN O=C(C[C@@H]1OCc2ccccc21)NCCc1ccccc1[N+](=O)[O-] ZINC000593986064 479532937 /nfs/dbraw/zinc/53/29/37/479532937.db2.gz SHHUQBRUICPSBN-KRWDZBQOSA-N 0 0 326.352 2.915 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2cnc(C)s2)c1 ZINC000589497366 479533269 /nfs/dbraw/zinc/53/32/69/479533269.db2.gz QPZIOQHVMZZNCA-UHFFFAOYSA-N 0 0 335.385 2.778 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCOCC3(CCCC3)C2)c1 ZINC000589510767 479535008 /nfs/dbraw/zinc/53/50/08/479535008.db2.gz PTIJSRKRKJOHKU-UHFFFAOYSA-N 0 0 348.399 2.774 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000589510476 479535210 /nfs/dbraw/zinc/53/52/10/479535210.db2.gz FSTNMXPPUDBSCA-LBPRGKRZSA-N 0 0 344.314 2.585 10 5 EFBERN CCn1ccc(CN(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000589514010 479535823 /nfs/dbraw/zinc/53/58/23/479535823.db2.gz XCCHOPDRCCXPHD-UHFFFAOYSA-N 0 0 331.372 2.835 10 5 EFBERN Cc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)[nH]1 ZINC000589530254 479537028 /nfs/dbraw/zinc/53/70/28/479537028.db2.gz NQPWRZWJOAGAGB-UHFFFAOYSA-N 0 0 326.356 2.994 10 5 EFBERN Cc1csc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000604546555 479537695 /nfs/dbraw/zinc/53/76/95/479537695.db2.gz DYYVBGVMZQJOFZ-UHFFFAOYSA-N 0 0 330.369 2.814 10 5 EFBERN C[C@H](O)C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000589584889 479541549 /nfs/dbraw/zinc/54/15/49/479541549.db2.gz PYZAKTNCHLPUQC-JSGCOSHPSA-N 0 0 345.399 2.636 10 5 EFBERN O=C(NC1CC1)c1ccc(N2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000589599248 479544145 /nfs/dbraw/zinc/54/41/45/479544145.db2.gz AJMZCPILUNRRRZ-SNVBAGLBSA-N 0 0 325.315 2.578 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000614937042 479552095 /nfs/dbraw/zinc/55/20/95/479552095.db2.gz AYEYCTHXJJZUNM-CYBMUJFWSA-N 0 0 345.359 2.669 10 5 EFBERN CNc1nccc(C(=O)NCc2ccccc2CC(C)C)c1[N+](=O)[O-] ZINC000600163965 479555705 /nfs/dbraw/zinc/55/57/05/479555705.db2.gz DSTZIXVCKHRRHI-UHFFFAOYSA-N 0 0 342.399 2.582 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000576184141 479558686 /nfs/dbraw/zinc/55/86/86/479558686.db2.gz XPNAXGCVYXDXRH-JTQLQIEISA-N 0 0 332.360 2.695 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000589690223 479559799 /nfs/dbraw/zinc/55/97/99/479559799.db2.gz QRFXUPDINPHWNW-INIZCTEOSA-N 0 0 348.378 2.971 10 5 EFBERN C[C@@]12COC[C@@H]1CN(C(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)C2 ZINC000618712949 479561739 /nfs/dbraw/zinc/56/17/39/479561739.db2.gz OCMMJVMFMLYWGR-LHSJRXKWSA-N 0 0 348.402 2.790 10 5 EFBERN Cc1cc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000600176214 479562920 /nfs/dbraw/zinc/56/29/20/479562920.db2.gz DFVLXBBPJASGPG-GFCCVEGCSA-N 0 0 342.277 2.633 10 5 EFBERN Cc1cccc(C(=O)NC[C@@]2(C)COc3ccccc3O2)c1[N+](=O)[O-] ZINC000600176464 479563011 /nfs/dbraw/zinc/56/30/11/479563011.db2.gz MBMZFLRMIOMVQW-SFHVURJKSA-N 0 0 342.351 2.863 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000600175844 479563706 /nfs/dbraw/zinc/56/37/06/479563706.db2.gz DMKLMDWLJDHGLO-INIZCTEOSA-N 0 0 326.352 2.775 10 5 EFBERN Cc1cc(C(=O)NC[C@]2(C)COc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000600175890 479563743 /nfs/dbraw/zinc/56/37/43/479563743.db2.gz JUKXVDJAECNZQR-GOSISDBHSA-N 0 0 342.351 2.863 10 5 EFBERN Cc1c(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000600178282 479565138 /nfs/dbraw/zinc/56/51/38/479565138.db2.gz NKVMEEHRMHPWKX-GFCCVEGCSA-N 0 0 342.277 2.633 10 5 EFBERN Cc1ccc(C(=O)NC[C@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000600177901 479565276 /nfs/dbraw/zinc/56/52/76/479565276.db2.gz VBDUWRXPKZGTRL-GOSISDBHSA-N 0 0 342.351 2.863 10 5 EFBERN Nc1c(NC(=O)NCCC[C@H]2CCOC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597089550 479566194 /nfs/dbraw/zinc/56/61/94/479566194.db2.gz BUUOPKYALXCFDH-VIFPVBQESA-N 0 0 342.783 2.769 10 5 EFBERN C[C@@H]1C[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H](C)O1 ZINC000597089626 479566204 /nfs/dbraw/zinc/56/62/04/479566204.db2.gz CNZHWLYGJKNHJS-IWSPIJDZSA-N 0 0 342.783 2.765 10 5 EFBERN Nc1c(NC(=O)NCCC[C@@H]2CCOC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597089549 479566288 /nfs/dbraw/zinc/56/62/88/479566288.db2.gz BUUOPKYALXCFDH-SECBINFHSA-N 0 0 342.783 2.769 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000600178839 479566230 /nfs/dbraw/zinc/56/62/30/479566230.db2.gz RCJCWPHVGLJELV-GFCCVEGCSA-N 0 0 342.277 2.633 10 5 EFBERN COCC1(CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597090142 479566338 /nfs/dbraw/zinc/56/63/38/479566338.db2.gz HMYNPMNASFPQQA-UHFFFAOYSA-N 0 0 342.783 2.769 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000600179954 479566507 /nfs/dbraw/zinc/56/65/07/479566507.db2.gz XTCCRAIHIOLENN-NSHDSACASA-N 0 0 342.277 2.633 10 5 EFBERN Cc1ccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000600179944 479566572 /nfs/dbraw/zinc/56/65/72/479566572.db2.gz XQJSHVBPKLYRRA-LBPRGKRZSA-N 0 0 342.277 2.633 10 5 EFBERN Nc1c(NC(=O)NC[C@@H]2CCCC[C@H]2O)cc(Cl)cc1[N+](=O)[O-] ZINC000597089515 479566960 /nfs/dbraw/zinc/56/69/60/479566960.db2.gz BMIJGKBLQQHZMC-QPUJVOFHSA-N 0 0 342.783 2.503 10 5 EFBERN CC1(C)CCC[C@@](O)(CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000614980123 479567033 /nfs/dbraw/zinc/56/70/33/479567033.db2.gz BNAACZVAMQLZHP-KRWDZBQOSA-N 0 0 330.388 2.703 10 5 EFBERN C[C@]1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1(F)F ZINC000597091302 479567324 /nfs/dbraw/zinc/56/73/24/479567324.db2.gz CYDYYVXRKKKWFI-LLVKDONJSA-N 0 0 334.710 2.997 10 5 EFBERN CO[C@H]([C@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CC1 ZINC000597091258 479567357 /nfs/dbraw/zinc/56/73/57/479567357.db2.gz ZTLPYJPGBNYFHD-WPPNPWJKSA-N 0 0 342.783 2.765 10 5 EFBERN COC1([C@@H](C)NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1 ZINC000597090828 479567552 /nfs/dbraw/zinc/56/75/52/479567552.db2.gz SIDKENWMBJWEFG-MRVPVSSYSA-N 0 0 342.783 2.910 10 5 EFBERN CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CCCOC1 ZINC000597090345 479567968 /nfs/dbraw/zinc/56/79/68/479567968.db2.gz KHDUOWSNFQOZHT-JTQLQIEISA-N 0 0 342.783 2.863 10 5 EFBERN CO[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000597090549 479568052 /nfs/dbraw/zinc/56/80/52/479568052.db2.gz NJEYSDWIACJDFZ-PELKAZGASA-N 0 0 342.783 2.719 10 5 EFBERN COCCC1(C)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597092418 479568539 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Cc1nc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc(C2CC2)n1 ZINC000159861757 534463471 /nfs/dbraw/zinc/46/34/71/534463471.db2.gz FVTLDHSPFLWRFV-UHFFFAOYSA-N 0 0 328.328 2.588 10 5 EFBERN Cc1nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1 ZINC000160290356 534463125 /nfs/dbraw/zinc/46/31/25/534463125.db2.gz JEWKHDBRMNZJFF-UHFFFAOYSA-N 0 0 328.328 2.588 10 5 EFBERN CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1 ZINC000194171617 520312401 /nfs/dbraw/zinc/31/24/01/520312401.db2.gz WNICTWCTKCRFIP-INIZCTEOSA-N 0 0 329.356 2.806 10 5 EFBERN CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccc21 ZINC000154866652 520557199 /nfs/dbraw/zinc/55/71/99/520557199.db2.gz VVNBFWMHQXVNSS-AWEZNQCLSA-N 0 0 326.356 2.923 10 5 EFBERN CCOc1ccc(C(=O)N2CCCC[C@H]2c2ncon2)cc1[N+](=O)[O-] ZINC000123749431 520896992 /nfs/dbraw/zinc/89/69/92/520896992.db2.gz CAEUDRLEKCLCDP-LBPRGKRZSA-N 0 0 346.343 2.744 10 5 EFBERN CCOc1ccc(C(=O)NCCCNc2ccccn2)cc1[N+](=O)[O-] ZINC000118724423 520910023 /nfs/dbraw/zinc/91/00/23/520910023.db2.gz 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COc1cc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000152721412 522141880 /nfs/dbraw/zinc/14/18/80/522141880.db2.gz VVKQNENGSNESPS-RISCZKNCSA-N 0 0 342.351 2.898 10 5 EFBERN COc1cc(C(=O)Nc2ncc(C(C)=O)s2)cc([N+](=O)[O-])c1C ZINC000191884243 522162646 /nfs/dbraw/zinc/16/26/46/522162646.db2.gz JSZZSFIENMPOKW-UHFFFAOYSA-N 0 0 335.341 2.823 10 5 EFBERN CC[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000120413996 522359142 /nfs/dbraw/zinc/35/91/42/522359142.db2.gz LEAWDKVHTZQXIW-NSHDSACASA-N 0 0 348.384 2.566 10 5 EFBERN CN(C)c1noc([C@H]2CCCN(c3cccc(F)c3[N+](=O)[O-])C2)n1 ZINC000193510729 522401336 /nfs/dbraw/zinc/40/13/36/522401336.db2.gz CTUVOMWDNKOCAJ-JTQLQIEISA-N 0 0 335.339 2.567 10 5 EFBERN COc1cc(CSCc2nnnn2C(C)C)c([N+](=O)[O-])cc1F ZINC000184049437 522500796 /nfs/dbraw/zinc/50/07/96/522500796.db2.gz KKKVGLZWERTMSU-UHFFFAOYSA-N 0 0 341.368 2.743 10 5 EFBERN CCc1nn(C)c(N2CCC(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000193569761 522667903 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CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000098117460 523312124 /nfs/dbraw/zinc/31/21/24/523312124.db2.gz WQNMQNXNDVRRFQ-UHFFFAOYSA-N 0 0 330.362 2.616 10 5 EFBERN CCn1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1=O ZINC000120433846 523431374 /nfs/dbraw/zinc/43/13/74/523431374.db2.gz FCWKAJLYTPAXNV-UHFFFAOYSA-N 0 0 326.312 2.510 10 5 EFBERN CC(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)cc1 ZINC000355722703 534721068 /nfs/dbraw/zinc/72/10/68/534721068.db2.gz QZRMATGRQFCWLE-UHFFFAOYSA-N 0 0 327.300 2.609 10 5 EFBERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000073473053 523805240 /nfs/dbraw/zinc/80/52/40/523805240.db2.gz TZUFWMDYQKPPBV-VWYCJHECSA-N 0 0 338.385 2.603 10 5 EFBERN CN(C(=O)CCc1nc(C(C)(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000075518019 523812409 /nfs/dbraw/zinc/81/24/09/523812409.db2.gz XFIXUDKFXGZXAG-UHFFFAOYSA-N 0 0 332.360 2.871 10 5 EFBERN CO[C@H](C)[C@H](C)Nc1nc(N[C@@H](C)[C@H](C)OC)c([N+](=O)[O-])s1 ZINC000191901702 523900792 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EFBERN Cc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064242196 524398327 /nfs/dbraw/zinc/39/83/27/524398327.db2.gz NEJZWYLAPDUEKK-UHFFFAOYSA-N 0 0 326.399 2.785 10 5 EFBERN Cc1ccc(CN(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000175062830 524399142 /nfs/dbraw/zinc/39/91/42/524399142.db2.gz YZTBHAQDJSOXJD-UHFFFAOYSA-N 0 0 338.385 2.934 10 5 EFBERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)c1 ZINC000182915102 524474854 /nfs/dbraw/zinc/47/48/54/524474854.db2.gz SFKYTPJTGUOZPZ-ZDUSSCGKSA-N 0 0 341.367 2.942 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](c2ccco2)C1 ZINC000180579593 524483982 /nfs/dbraw/zinc/48/39/82/524483982.db2.gz YXMMDCMLGDCKRO-MFKMUULPSA-N 0 0 330.344 2.778 10 5 EFBERN COc1ccc(OC)c(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000121023235 524812595 /nfs/dbraw/zinc/81/25/95/524812595.db2.gz CPEUWIZEKSVGNK-UHFFFAOYSA-N 0 0 330.340 2.818 10 5 EFBERN COc1ccc(OC)c([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180602725 524884665 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EFBERN Cc1ccc([C@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000119966601 525875783 /nfs/dbraw/zinc/87/57/83/525875783.db2.gz KTVLVJCCLHMYQD-CYBMUJFWSA-N 0 0 341.367 2.762 10 5 EFBERN Cc1c(OC(=O)[C@H]2CCCN2c2nccs2)cccc1[N+](=O)[O-] ZINC000194204009 525881012 /nfs/dbraw/zinc/88/10/12/525881012.db2.gz WGQUCZIMWXOACI-GFCCVEGCSA-N 0 0 333.369 2.934 10 5 EFBERN CSc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066001662 526004508 /nfs/dbraw/zinc/00/45/08/526004508.db2.gz NSKNGILOFGCGLT-UHFFFAOYSA-N 0 0 344.439 2.857 10 5 EFBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000119251405 526020623 /nfs/dbraw/zinc/02/06/23/526020623.db2.gz MGPAQDYLMWLASR-ZBEGNZNMSA-N 0 0 341.367 2.641 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000074630764 526073832 /nfs/dbraw/zinc/07/38/32/526073832.db2.gz YNUHFHPILBXNBA-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067890994 526078898 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O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135792156 526608000 /nfs/dbraw/zinc/60/80/00/526608000.db2.gz FZRYOECMCCMDPF-OAHLLOKOSA-N 0 0 347.758 2.937 10 5 EFBERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181231070 526627522 /nfs/dbraw/zinc/62/75/22/526627522.db2.gz KNMWSMXWMIGMPF-ZIAGYGMSSA-N 0 0 340.335 2.857 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135683527 526629197 /nfs/dbraw/zinc/62/91/97/526629197.db2.gz FFGUMCFVPFQPBF-CYBMUJFWSA-N 0 0 347.758 2.937 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN2CCC1CC2 ZINC000188835992 526637363 /nfs/dbraw/zinc/63/73/63/526637363.db2.gz IHVGYUGJQZSFTR-UHFFFAOYSA-N 0 0 331.397 2.730 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000076249103 526718177 /nfs/dbraw/zinc/71/81/77/526718177.db2.gz OKHHMFZXDCTUPY-WDEREUQCSA-N 0 0 342.442 2.783 10 5 EFBERN CN(Cc1ccc2ccccc2c1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000356443557 536473912 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O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000178720214 526978530 /nfs/dbraw/zinc/97/85/30/526978530.db2.gz NJXKLJQCHVKPMN-CABCVRRESA-N 0 0 332.743 2.636 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2ncon2)c1 ZINC000101525417 526979003 /nfs/dbraw/zinc/97/90/03/526979003.db2.gz ATVJJGMKORRTDY-UHFFFAOYSA-N 0 0 340.295 2.662 10 5 EFBERN NC(=O)[C@@H]1Cc2ccccc2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000119761826 526983112 /nfs/dbraw/zinc/98/31/12/526983112.db2.gz HEKULHXCERYSSD-YXOJNZSOSA-N 0 0 337.379 2.520 10 5 EFBERN NC(=O)[C@H]1CCC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000150908379 527006764 /nfs/dbraw/zinc/00/67/64/527006764.db2.gz YMGKAEGALAAEPK-WPRPVWTQSA-N 0 0 342.193 2.813 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCC[C@@H]3CCCC[C@H]3O)cc2N1 ZINC000154522718 527013275 /nfs/dbraw/zinc/01/32/75/527013275.db2.gz QYQKINDQSIABTO-XHDPSFHLSA-N 0 0 349.387 2.669 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(C2CCOCC2)CC1 ZINC000156879784 527244250 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CC(=O)c1ccc(NCc2nnc(C3CCC3)n2C)c([N+](=O)[O-])c1 ZINC000132842455 527317683 /nfs/dbraw/zinc/31/76/83/527317683.db2.gz JVXPRFKLEKLXOH-UHFFFAOYSA-N 0 0 329.360 2.806 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCC2CCCC2)cc1 ZINC000183468600 527346774 /nfs/dbraw/zinc/34/67/74/527346774.db2.gz BGEZWTDEORZGHZ-UHFFFAOYSA-N 0 0 326.418 2.637 10 5 EFBERN O=[N+]([O-])c1ccc(CCSc2nnnn2-c2ccccc2)cc1 ZINC000042126178 527347077 /nfs/dbraw/zinc/34/70/77/527347077.db2.gz YZTGXQWIUKQEAT-UHFFFAOYSA-N 0 0 327.369 2.905 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCOC[C@]23CCOC3)c(C(F)(F)F)c1 ZINC000193719935 527349672 /nfs/dbraw/zinc/34/96/72/527349672.db2.gz XZQRJKFSLCJEFD-CQSZACIVSA-N 0 0 346.305 2.605 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC[C@@H](Oc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000194011939 527349682 /nfs/dbraw/zinc/34/96/82/527349682.db2.gz OVWFBDHGDRDHPT-OAHLLOKOSA-N 0 0 344.327 2.551 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177451240 527357210 /nfs/dbraw/zinc/35/72/10/527357210.db2.gz KCUJUEDTXYUGLN-INIZCTEOSA-N 0 0 338.379 2.894 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2=CCCC2)c2ncccc12 ZINC000185872318 527375162 /nfs/dbraw/zinc/37/51/62/527375162.db2.gz LJPQGKDSQCEZDD-UHFFFAOYSA-N 0 0 347.396 2.922 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)s1 ZINC000064245091 527375193 /nfs/dbraw/zinc/37/51/93/527375193.db2.gz NBXOTBMGNTXVRD-NSHDSACASA-N 0 0 339.398 2.577 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2Cl)s1 ZINC000064240806 527377103 /nfs/dbraw/zinc/37/71/03/527377103.db2.gz RFMJKLWRQUYQDC-UHFFFAOYSA-N 0 0 332.790 2.788 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCCc3occc32)c1 ZINC000151590142 527387710 /nfs/dbraw/zinc/38/77/10/527387710.db2.gz XBMAYPSQBBVETN-AWEZNQCLSA-N 0 0 336.369 2.685 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000153667694 527387762 /nfs/dbraw/zinc/38/77/62/527387762.db2.gz MIMKUOBXPXIYTN-RDJZCZTQSA-N 0 0 346.408 2.818 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2nccs2)c1 ZINC000074909594 527392237 /nfs/dbraw/zinc/39/22/37/527392237.db2.gz VFEDXJGURVIBGV-GFCCVEGCSA-N 0 0 339.398 2.577 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H](c3ccccc3)[C@@H]3CCCO3)nn21 ZINC000179296383 527412478 /nfs/dbraw/zinc/41/24/78/527412478.db2.gz JIVJLKNRWMQXHL-SUMWQHHRSA-N 0 0 339.355 2.970 10 5 EFBERN Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000119594323 527418966 /nfs/dbraw/zinc/41/89/66/527418966.db2.gz AYSPGWYYCJGSSF-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN O=C(NC/C=C/c1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181235907 527468510 /nfs/dbraw/zinc/46/85/10/527468510.db2.gz BQNFQLVSALABNU-QPJJXVBHSA-N 0 0 326.308 2.767 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCOC[C@H]1CCCO1 ZINC000186335524 527500202 /nfs/dbraw/zinc/50/02/02/527500202.db2.gz LYZDBANOUMEHQD-BHEFUSTPSA-N 0 0 348.399 2.700 10 5 EFBERN Nc1ccc([N+](=O)[O-])c(N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000193492744 527501572 /nfs/dbraw/zinc/50/15/72/527501572.db2.gz UCSCTMPKYSGXON-JTQLQIEISA-N 0 0 348.309 2.673 10 5 EFBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000183310514 527527210 /nfs/dbraw/zinc/52/72/10/527527210.db2.gz MOFQPFINDXQNSG-JATZPVMKSA-N 0 0 328.372 2.777 10 5 EFBERN Nc1nccc([C@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000192757326 527567676 /nfs/dbraw/zinc/56/76/76/527567676.db2.gz CHAQXQJYNVEKCV-VIFPVBQESA-N 0 0 335.314 2.629 10 5 EFBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccco2)C1 ZINC000176735269 527627677 /nfs/dbraw/zinc/62/76/77/527627677.db2.gz GSYDXLYGKWYCSK-MOEXGYKKSA-N 0 0 328.324 2.801 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000077839471 527655048 /nfs/dbraw/zinc/65/50/48/527655048.db2.gz DBIMVDCJWQYSGW-RDJZCZTQSA-N 0 0 349.431 2.768 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184382060 527661850 /nfs/dbraw/zinc/66/18/50/527661850.db2.gz TZIMXRATJTUIPK-OAHLLOKOSA-N 0 0 343.387 2.505 10 5 EFBERN CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C12CCOCC2 ZINC000187135718 527932481 /nfs/dbraw/zinc/93/24/81/527932481.db2.gz WOLCDPUPGCKZOZ-JKSUJKDBSA-N 0 0 348.399 2.607 10 5 EFBERN CCOc1cc(N2C[C@H](OC)C[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000190086450 528314245 /nfs/dbraw/zinc/31/42/45/528314245.db2.gz XODHNPVFJKOFTQ-TZMCWYRMSA-N 0 0 348.359 2.651 10 5 EFBERN CCC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000183649877 528994335 /nfs/dbraw/zinc/99/43/35/528994335.db2.gz PCIGZBWJAFUIRU-SNVBAGLBSA-N 0 0 328.390 2.897 10 5 EFBERN CC1(C)CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000189640458 529023566 /nfs/dbraw/zinc/02/35/66/529023566.db2.gz UJAMUQXMINKOSV-JTQLQIEISA-N 0 0 344.314 2.884 10 5 EFBERN CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[S@@]1=O ZINC000183877274 529074661 /nfs/dbraw/zinc/07/46/61/529074661.db2.gz YGWUEBQNQIXLST-JOCHJYFZSA-N 0 0 344.458 2.728 10 5 EFBERN CCS[C@@H]1CCC[C@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191654499 529216605 /nfs/dbraw/zinc/21/66/05/529216605.db2.gz LURQJKVMDOJIIC-WDEREUQCSA-N 0 0 326.422 2.605 10 5 EFBERN CC(C)CC[C@@](C)(O)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362869233 534934176 /nfs/dbraw/zinc/93/41/76/534934176.db2.gz UMRDNUQSHZUPPO-MRXNPFEDSA-N 0 0 344.358 2.719 10 5 EFBERN CC(C)(C)c1noc(CCC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000358901308 534935391 /nfs/dbraw/zinc/93/53/91/534935391.db2.gz JABYACSLWQNUCC-UHFFFAOYSA-N 0 0 346.387 2.567 10 5 EFBERN CC(C)Oc1c(F)cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1F ZINC000343495591 534939839 /nfs/dbraw/zinc/93/98/39/534939839.db2.gz GSUIHAIPLMNRGO-UHFFFAOYSA-N 0 0 340.286 2.646 10 5 EFBERN CC(C)Oc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1C(N)=O ZINC000433973281 534963685 /nfs/dbraw/zinc/96/36/85/534963685.db2.gz WIHKNDCVDKZPOE-UHFFFAOYSA-N 0 0 343.339 2.733 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C(=O)NCC2(C)CC2)cc1[N+](=O)[O-] ZINC000342323783 535117719 /nfs/dbraw/zinc/11/77/19/535117719.db2.gz MWBBJYRGTJCKSM-UHFFFAOYSA-N 0 0 333.388 2.747 10 5 EFBERN CC(C)CO[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342524415 535209425 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CCc1cc(CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])on1 ZINC000741243319 1269427334 /nfs/dbraw/zinc/42/73/34/1269427334.db2.gz WQDIDPYEQSTYEW-ALCCZGGFSA-N 0 0 331.328 2.944 10 5 EFBERN COC(=O)/C=C\c1ccc(SCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000742413719 1270039049 /nfs/dbraw/zinc/03/90/49/1270039049.db2.gz ZERHBMPYTXELFE-ALCCZGGFSA-N 0 0 339.369 2.825 10 5 EFBERN COC[C@@](C)(NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000742899138 1270302072 /nfs/dbraw/zinc/30/20/72/1270302072.db2.gz HIJLDKMYSZEOSD-DMTLFAOVSA-N 0 0 332.278 2.692 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1F ZINC000742998187 1270352616 /nfs/dbraw/zinc/35/26/16/1270352616.db2.gz KLWUHFNVOHLWCV-UHFFFAOYSA-N 0 0 332.287 2.838 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000825460752 1278558200 /nfs/dbraw/zinc/55/82/00/1278558200.db2.gz HZVLXMNPAMIFQR-UHFFFAOYSA-N 0 0 348.790 2.948 10 5 EFBERN CC(=O)NCc1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)s1 ZINC000743134998 1270434772 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2.902 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ncc(C3CCOCC3)s2)n1 ZINC001129006646 1272962525 /nfs/dbraw/zinc/96/25/25/1272962525.db2.gz GAHMECUMKPWPOG-UHFFFAOYSA-N 0 0 348.384 2.901 10 5 EFBERN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC001129018532 1273082004 /nfs/dbraw/zinc/08/20/04/1273082004.db2.gz UEHKSHUWELHXBD-UHFFFAOYSA-N 0 0 348.290 2.633 10 5 EFBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ncc(Cl)cn1 ZINC001169726234 1273105492 /nfs/dbraw/zinc/10/54/92/1273105492.db2.gz PJWLKUQIXVIKBO-UHFFFAOYSA-N 0 0 345.117 2.761 10 5 EFBERN Nc1cc(NCCCOc2ccccc2F)cc(CO)c1[N+](=O)[O-] ZINC000804337221 1273106423 /nfs/dbraw/zinc/10/64/23/1273106423.db2.gz XIIFOIZZUMQQEQ-UHFFFAOYSA-N 0 0 335.335 2.689 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cc2ccccc2s1 ZINC001129344601 1273152107 /nfs/dbraw/zinc/15/21/07/1273152107.db2.gz CNXACOGWPBINKO-UHFFFAOYSA-N 0 0 330.369 2.631 10 5 EFBERN C[C@H](OC(=O)c1cc[nH]c1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000792423307 1278773119 /nfs/dbraw/zinc/77/31/19/1278773119.db2.gz LKUUCPBJLIIBOL-JTQLQIEISA-N 0 0 343.339 2.984 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC001129069204 1273608562 /nfs/dbraw/zinc/60/85/62/1273608562.db2.gz UGEIABOMGPEBSC-CQSZACIVSA-N 0 0 346.362 2.999 10 5 EFBERN CC(=O)c1nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc1C ZINC001129103472 1273711251 /nfs/dbraw/zinc/71/12/51/1273711251.db2.gz ZEGIWYOXYABOMU-UHFFFAOYSA-N 0 0 335.341 2.580 10 5 EFBERN CC[NH+]1CCC(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844207309 1278810070 /nfs/dbraw/zinc/81/00/70/1278810070.db2.gz GYUGTPCCBSTHPA-XQRVVYSFSA-N 0 0 333.388 2.836 10 5 EFBERN O=C(c1ccc2nccn2c1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129108540 1273765813 /nfs/dbraw/zinc/76/58/13/1273765813.db2.gz QWAOIAMQAJCTKD-UHFFFAOYSA-N 0 0 326.287 2.585 10 5 EFBERN O=C(c1ccc2cccnc2n1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001129106802 1273819587 /nfs/dbraw/zinc/81/95/87/1273819587.db2.gz BCMBUPLKZOTJPO-UHFFFAOYSA-N 0 0 338.298 2.880 10 5 EFBERN O=C(N[C@H]1CCn2ccnc21)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001129128794 1273884932 /nfs/dbraw/zinc/88/49/32/1273884932.db2.gz OJWYTMAQVLHYHH-NSHDSACASA-N 0 0 328.353 2.881 10 5 EFBERN Cc1noc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cn2)n1 ZINC001129132926 1273946216 /nfs/dbraw/zinc/94/62/16/1273946216.db2.gz YNJHLYPINIWKIU-UHFFFAOYSA-N 0 0 339.311 2.909 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000804370134 1274232366 /nfs/dbraw/zinc/23/23/66/1274232366.db2.gz IYHPIZZQWDKEGB-RDDDGLTNSA-N 0 0 336.241 2.526 10 5 EFBERN CN(CCc1nc(-c2ccccc2)no1)Cc1cccnc1[N+](=O)[O-] ZINC001170217603 1278892565 /nfs/dbraw/zinc/89/25/65/1278892565.db2.gz QWTPJXSHJYMBKX-UHFFFAOYSA-N 0 0 339.355 2.714 10 5 EFBERN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000792576664 1278923919 /nfs/dbraw/zinc/92/39/19/1278923919.db2.gz XHSNRZJMOMUAGM-HOCLYGCPSA-N 0 0 329.356 2.622 10 5 EFBERN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000792576665 1278924473 /nfs/dbraw/zinc/92/44/73/1278924473.db2.gz XHSNRZJMOMUAGM-ZBFHGGJFSA-N 0 0 329.356 2.622 10 5 EFBERN Cc1sc(C(=O)NCC(F)(F)Br)cc1[N+](=O)[O-] ZINC000805237252 1280791894 /nfs/dbraw/zinc/79/18/94/1280791894.db2.gz VSOIOCYSUVGSLP-UHFFFAOYSA-N 0 0 329.122 2.682 10 5 EFBERN Cc1[nH]nc(C(C)C)c1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000786341208 1275360985 /nfs/dbraw/zinc/36/09/85/1275360985.db2.gz FCTLYDHMSSEQMC-UHFFFAOYSA-N 0 0 333.344 2.986 10 5 EFBERN COc1cc(COC(=O)[C@@H](C)c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000786320855 1275369562 /nfs/dbraw/zinc/36/95/62/1275369562.db2.gz YMAWGRNEHHHKRP-VIFPVBQESA-N 0 0 333.344 2.790 10 5 EFBERN Cc1ccc(COC(=O)c2cnn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC001129246440 1275488436 /nfs/dbraw/zinc/48/84/36/1275488436.db2.gz MXHZJBGXLTYROA-UHFFFAOYSA-N 0 0 338.323 2.841 10 5 EFBERN CC[C@H](C)C(=O)COC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000786786198 1275528225 /nfs/dbraw/zinc/52/82/25/1275528225.db2.gz RASDBPVMECYIHC-NSHDSACASA-N 0 0 346.339 2.680 10 5 EFBERN O=[N+]([O-])c1ccc(Br)cc1N1C[C@H](O)CC(F)(F)C1 ZINC000786829061 1275534976 /nfs/dbraw/zinc/53/49/76/1275534976.db2.gz XIBNHKMCTTWYLU-MRVPVSSYSA-N 0 0 337.120 2.564 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1nc2ccccc2[nH]1 ZINC000786874559 1275563030 /nfs/dbraw/zinc/56/30/30/1275563030.db2.gz RXRQWYFMFMSMJK-ZDUSSCGKSA-N 0 0 339.355 2.934 10 5 EFBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786880128 1275581178 /nfs/dbraw/zinc/58/11/78/1275581178.db2.gz LRBIGFDAMJFVLA-OAHLLOKOSA-N 0 0 327.340 2.657 10 5 EFBERN O=[N+]([O-])c1ccccc1OS(=O)(=O)CC1Cc2ccccc2C1 ZINC000786934694 1275598132 /nfs/dbraw/zinc/59/81/32/1275598132.db2.gz QGJURMSQIMBMJB-UHFFFAOYSA-N 0 0 333.365 2.718 10 5 EFBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOCC1 ZINC000787109900 1275652401 /nfs/dbraw/zinc/65/24/01/1275652401.db2.gz FIMHZBADSOPDOI-GFCCVEGCSA-N 0 0 347.327 2.505 10 5 EFBERN Cc1nc(F)ccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000787179646 1275706823 /nfs/dbraw/zinc/70/68/23/1275706823.db2.gz ZRNSGFRDXIWNTO-ZDUSSCGKSA-N 0 0 331.351 2.519 10 5 EFBERN Cc1cc(F)ccc1[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787251929 1275722644 /nfs/dbraw/zinc/72/26/44/1275722644.db2.gz HTXJOZWVRQNNDR-SFHVURJKSA-N 0 0 346.358 2.839 10 5 EFBERN COCCN(Cc1ccnn1C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787332630 1275746340 /nfs/dbraw/zinc/74/63/40/1275746340.db2.gz SLEFJBJBFOGRTC-UHFFFAOYSA-N 0 0 338.795 2.630 10 5 EFBERN CO[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000787462762 1275786328 /nfs/dbraw/zinc/78/63/28/1275786328.db2.gz GWKJYIJHYSSOQW-SNVBAGLBSA-N 0 0 340.685 2.945 10 5 EFBERN CCc1n[nH]c(C(=O)NC[C@H](C)c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000746700895 1275837463 /nfs/dbraw/zinc/83/74/63/1275837463.db2.gz CDQDPIWQQZDPPL-VIFPVBQESA-N 0 0 343.343 2.555 10 5 EFBERN CC(C)(COCC(F)F)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000787852551 1275943688 /nfs/dbraw/zinc/94/36/88/1275943688.db2.gz VKCKZIXYWDKYRY-UHFFFAOYSA-N 0 0 331.315 2.988 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnn(CC(F)(F)F)c1 ZINC000787884477 1275955364 /nfs/dbraw/zinc/95/53/64/1275955364.db2.gz AQHYNANYXJMLEV-UHFFFAOYSA-N 0 0 332.213 2.745 10 5 EFBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc([N+](=O)[O-])c1Br ZINC000787929799 1275975771 /nfs/dbraw/zinc/97/57/71/1275975771.db2.gz UBUWLAQQEINYNG-JDICNCQASA-N 0 0 325.162 2.886 10 5 EFBERN CO[C@@H](CCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000787975967 1275993965 /nfs/dbraw/zinc/99/39/65/1275993965.db2.gz WHKYAWACLGSLSA-JTQLQIEISA-N 0 0 342.220 2.570 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(N(C)C)c1 ZINC000788031735 1276011816 /nfs/dbraw/zinc/01/18/16/1276011816.db2.gz HLOKOPGPFZNBME-UHFFFAOYSA-N 0 0 336.369 2.737 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1c(C)cccc1Cl ZINC000788081751 1276032914 /nfs/dbraw/zinc/03/29/14/1276032914.db2.gz SQLLYHTZCSVHQF-UHFFFAOYSA-N 0 0 337.763 2.847 10 5 EFBERN CCn1nccc1CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000788390921 1276145780 /nfs/dbraw/zinc/14/57/80/1276145780.db2.gz CVUOMEHZPQJVOT-LLVKDONJSA-N 0 0 335.335 2.840 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000844440301 1279008690 /nfs/dbraw/zinc/00/86/90/1279008690.db2.gz REDNUQLPELLLBC-HNNXBMFYSA-N 0 0 339.342 2.963 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844440306 1279008853 /nfs/dbraw/zinc/00/88/53/1279008853.db2.gz REDNUQLPELLLBC-OAHLLOKOSA-N 0 0 339.342 2.963 10 5 EFBERN NC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001135984759 1276287813 /nfs/dbraw/zinc/28/78/13/1276287813.db2.gz LPICXDPJRGENIL-LSDHHAIUSA-N 0 0 340.339 2.828 10 5 EFBERN C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001136026909 1276333414 /nfs/dbraw/zinc/33/34/14/1276333414.db2.gz NHVYKXDELQCPCZ-MEDUHNTESA-N 0 0 332.331 2.987 10 5 EFBERN CC(=O)NCCCCCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000922914724 1276337943 /nfs/dbraw/zinc/33/79/43/1276337943.db2.gz CCSLURGTTZOWJF-UHFFFAOYSA-N 0 0 348.399 2.866 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCOc1ccccc1F ZINC001136043730 1276359426 /nfs/dbraw/zinc/35/94/26/1276359426.db2.gz LRAOTIKDDMHDCH-UHFFFAOYSA-N 0 0 333.319 2.515 10 5 EFBERN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)OCC(F)(F)F ZINC000788919139 1276400984 /nfs/dbraw/zinc/40/09/84/1276400984.db2.gz FSOLVTRWGQYOIG-UHFFFAOYSA-N 0 0 347.201 2.603 10 5 EFBERN Cn1nccc1[C@@H]1COCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844466201 1279023223 /nfs/dbraw/zinc/02/32/23/1279023223.db2.gz YYVXQDYGDDMUEW-HNNXBMFYSA-N 0 0 336.779 2.555 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cc(-c3ccccc3)no2)n1 ZINC001136147393 1276526242 /nfs/dbraw/zinc/52/62/42/1276526242.db2.gz AJBZRRQFFKQDQM-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN CNc1nccc(C(=O)NCc2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC001136178504 1276570849 /nfs/dbraw/zinc/57/08/49/1276570849.db2.gz XTXZHLBFJYMAFI-UHFFFAOYSA-N 0 0 338.726 2.754 10 5 EFBERN COc1cc(COC(=O)[C@H]2CCC(=O)c3cccn32)ccc1[N+](=O)[O-] ZINC000789238410 1276585343 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EFBERN CCOC(=O)[C@H](CC)[C@H](C)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000789463633 1276742343 /nfs/dbraw/zinc/74/23/43/1276742343.db2.gz RSUGRZFLZRRYDY-TVQRCGJNSA-N 0 0 327.308 2.869 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CSC[C@H](C)CS(C)(=O)=O ZINC000871709769 1287239558 /nfs/dbraw/zinc/23/95/58/1287239558.db2.gz GXGYBFFYASBPSK-JTQLQIEISA-N 0 0 333.431 2.517 10 5 EFBERN COc1ccc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000819448782 1276772733 /nfs/dbraw/zinc/77/27/33/1276772733.db2.gz DQZZKMWJKZBXCR-CQSZACIVSA-N 0 0 348.355 2.766 10 5 EFBERN Cc1nn(C)c(Cl)c1CN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000819546376 1276810578 /nfs/dbraw/zinc/81/05/78/1276810578.db2.gz MKMPULXJFLAAHZ-UHFFFAOYSA-N 0 0 336.779 2.871 10 5 EFBERN COC(=O)[C@@H](Cc1ccc(F)cc1)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000789578599 1276828375 /nfs/dbraw/zinc/82/83/75/1276828375.db2.gz QRHQHCMOZZYKJI-MRXNPFEDSA-N 0 0 346.358 2.916 10 5 EFBERN COCCC1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000819566276 1276844516 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/nfs/dbraw/zinc/28/39/83/1280283983.db2.gz ZTRKQYBKIWLJRJ-QLJPJBMISA-N 0 0 349.362 2.733 10 5 EFBERN C[C@@H](C[C@@H](O)c1cccs1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000804566531 1280287922 /nfs/dbraw/zinc/28/79/22/1280287922.db2.gz UBAMRLPKOLRRHB-TVQRCGJNSA-N 0 0 337.401 2.655 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C(C)(C)C)co1 ZINC001134949694 1287411684 /nfs/dbraw/zinc/41/16/84/1287411684.db2.gz UAONHCQHEFYSJC-UHFFFAOYSA-N 0 0 333.344 2.819 10 5 EFBERN CCOC(=O)CN(C)c1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804576615 1280299060 /nfs/dbraw/zinc/29/90/60/1280299060.db2.gz AGAUCGLIVKEYTP-UHFFFAOYSA-N 0 0 331.166 2.665 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@]2(CC2(F)F)C1 ZINC000846582890 1280302855 /nfs/dbraw/zinc/30/28/55/1280302855.db2.gz FFCSPTXZUGBBRC-AWEZNQCLSA-N 0 0 328.290 2.924 10 5 EFBERN C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052499 1287413340 /nfs/dbraw/zinc/41/33/40/1287413340.db2.gz SNUBTJLOIBBWMU-DXCKQFNASA-N 0 0 348.374 2.869 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H](Cc2ccncc2)C1 ZINC000804609213 1280310812 /nfs/dbraw/zinc/31/08/12/1280310812.db2.gz SDBIMRTXQASRCU-CYBMUJFWSA-N 0 0 328.328 2.967 10 5 EFBERN C[C@H](Nc1ccc(N(C)CCO)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054823 1287413404 /nfs/dbraw/zinc/41/34/04/1287413404.db2.gz BYDHEEUFESJFBE-NSHDSACASA-N 0 0 334.351 2.731 10 5 EFBERN Cc1ccc(NCC(F)(F)CO)c([N+](=O)[O-])c1Br ZINC000804619258 1280318802 /nfs/dbraw/zinc/31/88/02/1280318802.db2.gz DABKERMXDVGVGS-UHFFFAOYSA-N 0 0 325.109 2.705 10 5 EFBERN CO[C@@]1(CNc2ccc(C)c(Br)c2[N+](=O)[O-])CCOC1 ZINC000804615763 1280331324 /nfs/dbraw/zinc/33/13/24/1280331324.db2.gz AJSJIOQKXAHIKL-CYBMUJFWSA-N 0 0 345.193 2.883 10 5 EFBERN CC(=O)c1ccc2c(c1)CN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC001129778846 1280344538 /nfs/dbraw/zinc/34/45/38/1280344538.db2.gz BOPQINCVRDIZID-UHFFFAOYSA-N 0 0 340.335 2.719 10 5 EFBERN CSc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Cl ZINC001129862918 1280356622 /nfs/dbraw/zinc/35/66/22/1280356622.db2.gz JKJZCXBQNXDAIK-UHFFFAOYSA-N 0 0 326.765 2.956 10 5 EFBERN CCOC(=O)N1CC[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872064355 1287417232 /nfs/dbraw/zinc/41/72/32/1287417232.db2.gz YCYADNODMIPSMZ-MNOVXSKESA-N 0 0 325.340 2.615 10 5 EFBERN COC(=O)c1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC001129892669 1280364034 /nfs/dbraw/zinc/36/40/34/1280364034.db2.gz GSJSSRLYLPVBDR-UHFFFAOYSA-N 0 0 334.353 2.681 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](O)COc2ccccc2)c1 ZINC000747209503 1280364901 /nfs/dbraw/zinc/36/49/01/1280364901.db2.gz JEPFSQGGJSYVNS-NSHDSACASA-N 0 0 336.319 2.594 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000747212014 1280368943 /nfs/dbraw/zinc/36/89/43/1280368943.db2.gz XZOWCYULNFSORC-LLVKDONJSA-N 0 0 347.350 2.613 10 5 EFBERN CCOC(=O)N1CC[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872064352 1287417984 /nfs/dbraw/zinc/41/79/84/1287417984.db2.gz YCYADNODMIPSMZ-GHMZBOCLSA-N 0 0 325.340 2.615 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC2CCC(NC(C)=O)CC2)c1 ZINC000747214774 1280379352 /nfs/dbraw/zinc/37/93/52/1280379352.db2.gz DREGVXASOKORAG-UHFFFAOYSA-N 0 0 325.340 2.602 10 5 EFBERN C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069966 1287419921 /nfs/dbraw/zinc/41/99/21/1287419921.db2.gz AQYUBSBZCBGAQC-LLVKDONJSA-N 0 0 344.408 2.742 10 5 EFBERN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073521 1287420820 /nfs/dbraw/zinc/42/08/20/1287420820.db2.gz QHSQALIFBWHXRS-VXGBXAGGSA-N 0 0 325.384 2.937 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872099713 1287427910 /nfs/dbraw/zinc/42/79/10/1287427910.db2.gz QMVKHTWFZKDTIZ-RCBQFDQVSA-N 0 0 336.388 2.508 10 5 EFBERN CCN1C[C@@H](CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)OC1=O ZINC000846819015 1280551547 /nfs/dbraw/zinc/55/15/47/1280551547.db2.gz ZAVVTUMHEWWMBT-GFCCVEGCSA-N 0 0 327.768 2.521 10 5 EFBERN C[C@@H](OC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1nncn1C ZINC000805532597 1280587281 /nfs/dbraw/zinc/58/72/81/1280587281.db2.gz SAQHPBJUMBUOPS-SSDOTTSWSA-N 0 0 344.249 2.660 10 5 EFBERN C[C@H](OC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1nncn1C ZINC000805532598 1280587792 /nfs/dbraw/zinc/58/77/92/1280587792.db2.gz SAQHPBJUMBUOPS-ZETCQYMHSA-N 0 0 344.249 2.660 10 5 EFBERN CC(=CC(=O)OCC(=O)c1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000805528767 1280607243 /nfs/dbraw/zinc/60/72/43/1280607243.db2.gz OWJBKGGDDCWYBD-POHAHGRESA-N 0 0 332.337 2.881 10 5 EFBERN COC(=O)c1ccc(OC(=O)c2ccn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000846967854 1280666715 /nfs/dbraw/zinc/66/67/15/1280666715.db2.gz LYTJNEWETQXFGI-UHFFFAOYSA-N 0 0 347.327 2.552 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N(CCO)C1CCSCC1 ZINC000846989645 1280677940 /nfs/dbraw/zinc/67/79/40/1280677940.db2.gz TZHLNRQXDRRUII-UHFFFAOYSA-N 0 0 344.820 2.578 10 5 EFBERN CCOC(CN(CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OCC ZINC000846976588 1280691949 /nfs/dbraw/zinc/69/19/49/1280691949.db2.gz QGANOWCBTDDQBJ-UHFFFAOYSA-N 0 0 336.392 2.692 10 5 EFBERN Cc1nocc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001130356788 1280754350 /nfs/dbraw/zinc/75/43/50/1280754350.db2.gz CQPVFTZNYTZCEE-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN CC(C)(C(=O)Nc1ccn2nccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001130391112 1280805396 /nfs/dbraw/zinc/80/53/96/1280805396.db2.gz OEHMAXHIEJYION-UHFFFAOYSA-N 0 0 325.328 2.554 10 5 EFBERN O=C(Cc1ccc(F)cn1)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000805896787 1280855285 /nfs/dbraw/zinc/85/52/85/1280855285.db2.gz LUXBSPWLMXATQW-KGLIPLIRSA-N 0 0 348.334 2.595 10 5 EFBERN O=C(OCCc1ccccc1[N+](=O)[O-])C1CCN(CC(F)F)CC1 ZINC000805897848 1280855447 /nfs/dbraw/zinc/85/54/47/1280855447.db2.gz TWRZJPIGRPQBKQ-UHFFFAOYSA-N 0 0 342.342 2.658 10 5 EFBERN Cc1oc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nc1C1CC1 ZINC001130432570 1280873009 /nfs/dbraw/zinc/87/30/09/1280873009.db2.gz BICMOSUQVADCNA-UHFFFAOYSA-N 0 0 345.311 2.792 10 5 EFBERN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168281 1287456163 /nfs/dbraw/zinc/45/61/63/1287456163.db2.gz RAANPSYLZSYBMQ-LSJOCFKGSA-N 0 0 332.278 2.851 10 5 EFBERN COc1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)sc21 ZINC001130453865 1280920148 /nfs/dbraw/zinc/92/01/48/1280920148.db2.gz YQRMEEKCMHORGK-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN Cc1cc(Cl)c(OC(=O)CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000806014671 1280929940 /nfs/dbraw/zinc/92/99/40/1280929940.db2.gz CSIPUINYAKAFRY-UHFFFAOYSA-N 0 0 327.699 2.888 10 5 EFBERN COc1c(C)cccc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001130492247 1280943002 /nfs/dbraw/zinc/94/30/02/1280943002.db2.gz DZWGZHOODVTFIA-UHFFFAOYSA-N 0 0 332.331 2.910 10 5 EFBERN COc1ccc(CC(=O)OC[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000806051228 1280958542 /nfs/dbraw/zinc/95/85/42/1280958542.db2.gz YHHNGKJTIKCEAK-GFCCVEGCSA-N 0 0 325.386 2.832 10 5 EFBERN C[C@@]1(C(F)(F)F)CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC001175513184 1287461915 /nfs/dbraw/zinc/46/19/15/1287461915.db2.gz QRSWVENHXDHJHD-ZDUSSCGKSA-N 0 0 334.294 2.627 10 5 EFBERN Cn1cc([C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000747307280 1280991511 /nfs/dbraw/zinc/99/15/11/1280991511.db2.gz SQHQXNXGKDHDNL-AWEZNQCLSA-N 0 0 334.351 2.985 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000825587895 1287469400 /nfs/dbraw/zinc/46/94/00/1287469400.db2.gz DBAGRYLQUDOVHB-KBPBESRZSA-N 0 0 348.399 2.786 10 5 EFBERN O=C(Nc1cnc2ccccn12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001130651819 1281073487 /nfs/dbraw/zinc/07/34/87/1281073487.db2.gz WBUDHXLBGQUVTK-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN COC[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001130657779 1281084663 /nfs/dbraw/zinc/08/46/63/1281084663.db2.gz WFBOMBPTUDOTQD-AWEZNQCLSA-N 0 0 348.330 2.860 10 5 EFBERN CO[C@@H]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000815383609 1287472491 /nfs/dbraw/zinc/47/24/91/1287472491.db2.gz UTKCCTMPTNJEEZ-GXTWGEPZSA-N 0 0 338.316 2.751 10 5 EFBERN CO[C@H]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000815383611 1287472606 /nfs/dbraw/zinc/47/26/06/1287472606.db2.gz UTKCCTMPTNJEEZ-OCCSQVGLSA-N 0 0 338.316 2.751 10 5 EFBERN CO[C@H](C)CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)C ZINC001147205013 1281117066 /nfs/dbraw/zinc/11/70/66/1281117066.db2.gz SQINEXKARVKULQ-SECBINFHSA-N 0 0 329.784 2.716 10 5 EFBERN COc1cccc(OC)c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001130712051 1281126184 /nfs/dbraw/zinc/12/61/84/1281126184.db2.gz DIROSGNFOMRQMC-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN CC(C)CC[C@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001147384338 1281161248 /nfs/dbraw/zinc/16/12/48/1281161248.db2.gz IAEFWYFWCLKKAZ-GFCCVEGCSA-N 0 0 328.796 2.704 10 5 EFBERN COCC1(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC001130761192 1281163955 /nfs/dbraw/zinc/16/39/55/1281163955.db2.gz JMNPJCSWTFOHCM-UHFFFAOYSA-N 0 0 345.355 2.525 10 5 EFBERN C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)Cc2cncnc21 ZINC001175593226 1287479631 /nfs/dbraw/zinc/47/96/31/1287479631.db2.gz JCAGPLYIJAOWNN-JTQLQIEISA-N 0 0 337.339 2.626 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)n1 ZINC001147588624 1281214167 /nfs/dbraw/zinc/21/41/67/1281214167.db2.gz OKPFJOFKSCJJHC-CJNGLKHVSA-N 0 0 333.388 2.720 10 5 EFBERN CC(C)n1cc2cc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])ccc2n1 ZINC001147682496 1281234227 /nfs/dbraw/zinc/23/42/27/1281234227.db2.gz BTJWQSVGTDXHMC-UHFFFAOYSA-N 0 0 340.343 2.755 10 5 EFBERN Cc1cc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000807230090 1281255237 /nfs/dbraw/zinc/25/52/37/1281255237.db2.gz BOYRRNJVMIQZBA-WAYWQWQTSA-N 0 0 349.387 2.714 10 5 EFBERN C[C@@H](C(=O)Nc1cnc2ccnn2c1)c1ccc([N+](=O)[O-])cc1F ZINC001130939672 1281312052 /nfs/dbraw/zinc/31/20/52/1281312052.db2.gz XLSPQDXOQBNQHH-SECBINFHSA-N 0 0 329.291 2.519 10 5 EFBERN CCc1cc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC001130956579 1281321252 /nfs/dbraw/zinc/32/12/52/1281321252.db2.gz CLXUMXLQLUXSEA-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN Cc1nc2ccnn2cc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130954966 1281333588 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EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1c2c(ccc1F)OCO2 ZINC001132821943 1284331325 /nfs/dbraw/zinc/33/13/25/1284331325.db2.gz LZWPQADSBCAQJO-UHFFFAOYSA-N 0 0 348.286 2.870 10 5 EFBERN CC1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000811498302 1284354413 /nfs/dbraw/zinc/35/44/13/1284354413.db2.gz QOVJNKSMTRZEDH-UHFFFAOYSA-N 0 0 332.141 2.651 10 5 EFBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@H](O)c1ccccc1 ZINC000811536356 1284378936 /nfs/dbraw/zinc/37/89/36/1284378936.db2.gz MFEHONNBHAGPDK-GTNSWQLSSA-N 0 0 339.351 2.928 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CNc2cccc3c2COC3=O)c1 ZINC000811507493 1284384586 /nfs/dbraw/zinc/38/45/86/1284384586.db2.gz DSRKZIOQESCFQV-UHFFFAOYSA-N 0 0 342.307 2.664 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCc2cc(F)c(F)cc2C1 ZINC001132877567 1284412287 /nfs/dbraw/zinc/41/22/87/1284412287.db2.gz VVYJQEOKAFMCBL-UHFFFAOYSA-N 0 0 348.305 2.837 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1cccc2cnccc21 ZINC001132962724 1284513781 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CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)nc1 ZINC001132996238 1284618839 /nfs/dbraw/zinc/61/88/39/1284618839.db2.gz FTJONZLDEUQZGU-UHFFFAOYSA-N 0 0 329.312 2.576 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2ccccn2)c(OC(F)F)c1 ZINC000811828224 1284658158 /nfs/dbraw/zinc/65/81/58/1284658158.db2.gz AKMYYDOEMVRJRL-LBPRGKRZSA-N 0 0 325.271 2.737 10 5 EFBERN C[C@@H](NC(=O)Cc1cn2cc(F)ccc2n1)c1ccccc1[N+](=O)[O-] ZINC001133117775 1284824927 /nfs/dbraw/zinc/82/49/27/1284824927.db2.gz WVTWVSCBUGUPKR-LLVKDONJSA-N 0 0 342.330 2.802 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(-c3ccccn3)n2)c1 ZINC001133134588 1284848150 /nfs/dbraw/zinc/84/81/50/1284848150.db2.gz RQKWTQWMBYJAIL-UHFFFAOYSA-N 0 0 349.350 2.685 10 5 EFBERN CC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000815757492 1287743402 /nfs/dbraw/zinc/74/34/02/1287743402.db2.gz LFHPJIRKDFNEGO-GFCCVEGCSA-N 0 0 333.388 2.842 10 5 EFBERN O=C(NCc1ncc(Cl)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001133153182 1284882114 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CC(C)(CCc1noc(-c2csc(-c3ncccn3)n2)n1)[N+](=O)[O-] ZINC000812813705 1285428317 /nfs/dbraw/zinc/42/83/17/1285428317.db2.gz AUFHCSBXMWEYRK-UHFFFAOYSA-N 0 0 346.372 2.638 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001133475519 1285470753 /nfs/dbraw/zinc/47/07/53/1285470753.db2.gz HODMUSLPGRPYKN-SUMWQHHRSA-N 0 0 330.315 2.725 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccccc2n1C ZINC001133478917 1285477964 /nfs/dbraw/zinc/47/79/64/1285477964.db2.gz MRFMYXDGBVCTCG-UHFFFAOYSA-N 0 0 326.312 2.742 10 5 EFBERN Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC001133521177 1285538681 /nfs/dbraw/zinc/53/86/81/1285538681.db2.gz VNMYFYJXRPWTPW-ZDUSSCGKSA-N 0 0 349.387 2.642 10 5 EFBERN Cc1nc(C(C)C)oc1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001171461454 1285558852 /nfs/dbraw/zinc/55/88/52/1285558852.db2.gz JZURRGSQKYYCHU-QGZVFWFLSA-N 0 0 347.371 2.652 10 5 EFBERN COc1cc(C(=O)Nc2cc(O)ccc2C)c([N+](=O)[O-])cc1OC ZINC001171479078 1285593669 /nfs/dbraw/zinc/59/36/69/1285593669.db2.gz PCIQKICAHYBUQA-UHFFFAOYSA-N 0 0 332.312 2.878 10 5 EFBERN C[C@H](COC(=O)C1(c2cc(F)cc(Br)c2)CC1)[N+](=O)[O-] ZINC000813105502 1285646559 /nfs/dbraw/zinc/64/65/59/1285646559.db2.gz NIWYICBBZPPAPH-MRVPVSSYSA-N 0 0 346.152 2.828 10 5 EFBERN C[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000813101908 1285651906 /nfs/dbraw/zinc/65/19/06/1285651906.db2.gz LFMNCEAHHNWJQY-LSDHHAIUSA-N 0 0 334.416 2.538 10 5 EFBERN C[C@H](COC(=O)COc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-] ZINC000813101638 1285652509 /nfs/dbraw/zinc/65/25/09/1285652509.db2.gz FZODWTPPCDCHSR-CQSZACIVSA-N 0 0 345.351 2.853 10 5 EFBERN COC[C@H](C)[C@@H](C)C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000813087943 1285665205 /nfs/dbraw/zinc/66/52/05/1285665205.db2.gz FEDSJFROLAJZLC-WOSRLPQWSA-N 0 0 336.388 2.635 10 5 EFBERN CCCc1c(C(=O)OC[C@H](C)[N+](=O)[O-])cnn1-c1ccccc1C ZINC000813110016 1285681922 /nfs/dbraw/zinc/68/19/22/1285681922.db2.gz YUBOJMISVYGXKI-ZDUSSCGKSA-N 0 0 331.372 2.955 10 5 EFBERN C[C@@H](COC(=O)C(C)(C)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109525 1285682655 /nfs/dbraw/zinc/68/26/55/1285682655.db2.gz KPFIBBAXKQVWOG-VIFPVBQESA-N 0 0 330.178 2.935 10 5 EFBERN C[C@H](COC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)[N+](=O)[O-] ZINC000813110771 1285683176 /nfs/dbraw/zinc/68/31/76/1285683176.db2.gz IYCLRJOFGXOVOF-ZCFIWIBFSA-N 0 0 341.213 2.711 10 5 EFBERN C[C@H](COC(=O)[C@H](c1ccccc1)N1CCc2ccccc21)[N+](=O)[O-] ZINC000813111350 1285683926 /nfs/dbraw/zinc/68/39/26/1285683926.db2.gz RONCQGVGJQJOHY-KDOFPFPSSA-N 0 0 340.379 2.999 10 5 EFBERN C[C@@H](COC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)[N+](=O)[O-] ZINC000813111348 1285684437 /nfs/dbraw/zinc/68/44/37/1285684437.db2.gz RONCQGVGJQJOHY-KBXCAEBGSA-N 0 0 340.379 2.999 10 5 EFBERN CCCN(CCC)C(=O)c1cccc(C(=O)OC[C@@H](C)[N+](=O)[O-])c1 ZINC000813114665 1285685255 /nfs/dbraw/zinc/68/52/55/1285685255.db2.gz FLSICVLGDZJYTL-CYBMUJFWSA-N 0 0 336.388 2.771 10 5 EFBERN COc1ccc(C(=O)CCC(=O)OC[C@@H](C)[N+](=O)[O-])c(Cl)c1 ZINC000813115781 1285685689 /nfs/dbraw/zinc/68/56/89/1285685689.db2.gz ZNCDSWBWHRHGQX-SECBINFHSA-N 0 0 329.736 2.520 10 5 EFBERN CCO[C@H](CC)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173901 1285703718 /nfs/dbraw/zinc/70/37/18/1285703718.db2.gz LTYFQZQKKGCTPN-JKSUJKDBSA-N 0 0 336.388 2.527 10 5 EFBERN CSCCCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173982 1285703985 /nfs/dbraw/zinc/70/39/85/1285703985.db2.gz NLEQQDXXLVXETG-HNNXBMFYSA-N 0 0 338.429 2.856 10 5 EFBERN CC[C@@H]1CC[C@@H](C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000813173887 1285704009 /nfs/dbraw/zinc/70/40/09/1285704009.db2.gz LXPULRQPRRKYED-IKGGRYGDSA-N 0 0 348.399 2.670 10 5 EFBERN O=C(CC[C@H]1CCCO1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173490 1285704741 /nfs/dbraw/zinc/70/47/41/1285704741.db2.gz COXHMVIABJJWNK-SJORKVTESA-N 0 0 348.399 2.672 10 5 EFBERN COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1C ZINC000813184385 1285717056 /nfs/dbraw/zinc/71/70/56/1285717056.db2.gz GWVOLUZGCJBICP-UHFFFAOYSA-N 0 0 345.142 2.896 10 5 EFBERN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001133654463 1285735293 /nfs/dbraw/zinc/73/52/93/1285735293.db2.gz KKGGNNJDZJIGTA-LLVKDONJSA-N 0 0 329.312 2.923 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC001133685710 1285780080 /nfs/dbraw/zinc/78/00/80/1285780080.db2.gz AKKDLPVCQOMLIV-UHFFFAOYSA-N 0 0 327.340 2.539 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001133686161 1285780811 /nfs/dbraw/zinc/78/08/11/1285780811.db2.gz VFTMNCMKZRAZTL-LBPRGKRZSA-N 0 0 341.367 2.721 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001133686160 1285780825 /nfs/dbraw/zinc/78/08/25/1285780825.db2.gz VFTMNCMKZRAZTL-GFCCVEGCSA-N 0 0 341.367 2.721 10 5 EFBERN O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1c(F)cccc1[N+](=O)[O-] ZINC001133706223 1285808679 /nfs/dbraw/zinc/80/86/79/1285808679.db2.gz ICJCCUAZKRGGPK-NHYWBVRUSA-N 0 0 334.278 2.936 10 5 EFBERN CC1(C)[C@H](O)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813316710 1285810944 /nfs/dbraw/zinc/81/09/44/1285810944.db2.gz QFVSNJOYCRDAJC-SNVBAGLBSA-N 0 0 333.171 2.887 10 5 EFBERN CCn1cc(Cl)c(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC001133729193 1285844240 /nfs/dbraw/zinc/84/42/40/1285844240.db2.gz QOOWLMIGGKSGEQ-UHFFFAOYSA-N 0 0 342.714 2.865 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nn1cnc2ccccc21 ZINC000813394862 1285876118 /nfs/dbraw/zinc/87/61/18/1285876118.db2.gz MQDBUQXUFOODEX-UHFFFAOYSA-N 0 0 332.266 2.536 10 5 EFBERN Cc1ccc(CNC(=O)C[C@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001171890032 1285879453 /nfs/dbraw/zinc/87/94/53/1285879453.db2.gz CNCDIVPDUKMHOR-INIZCTEOSA-N 0 0 332.331 2.782 10 5 EFBERN Cc1ccc(CNC(=O)c2cc3cc[nH]c(=O)c3s2)cc1[N+](=O)[O-] ZINC001171891689 1285881886 /nfs/dbraw/zinc/88/18/86/1285881886.db2.gz YSGSLMLSVUOAAV-UHFFFAOYSA-N 0 0 343.364 2.736 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CC1(Cl)Cl ZINC000813406144 1285888091 /nfs/dbraw/zinc/88/80/91/1285888091.db2.gz URCIUTAKBOQSBO-LURJTMIESA-N 0 0 339.125 2.726 10 5 EFBERN O=C(Nc1cncc(Cl)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001133792212 1285945657 /nfs/dbraw/zinc/94/56/57/1285945657.db2.gz VZBLIOWOSKZCPO-AWEZNQCLSA-N 0 0 346.730 2.775 10 5 EFBERN COc1ccccc1[C@H](O)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000813585629 1286001623 /nfs/dbraw/zinc/00/16/23/1286001623.db2.gz QAOOKVBUSAAZNQ-MRXNPFEDSA-N 0 0 339.351 2.719 10 5 EFBERN CN(Cc1cccc(C(N)=O)c1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000813587584 1286002812 /nfs/dbraw/zinc/00/28/12/1286002812.db2.gz JJIQNEUGNJLGRR-UHFFFAOYSA-N 0 0 336.351 2.878 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1nnc(-c2ccccc2)[nH]1 ZINC000813590531 1286003223 /nfs/dbraw/zinc/00/32/23/1286003223.db2.gz TZXWHAFDJPFNCS-UHFFFAOYSA-N 0 0 346.350 2.962 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1COC2(CCCC2)O1 ZINC000813599661 1286017082 /nfs/dbraw/zinc/01/70/82/1286017082.db2.gz WEFDEVJELKKNOY-GFCCVEGCSA-N 0 0 329.356 2.663 10 5 EFBERN O=C(Nc1n[nH]c(-c2ccco2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001133907288 1286091222 /nfs/dbraw/zinc/09/12/22/1286091222.db2.gz SCEKWFVQDSNROV-UHFFFAOYSA-N 0 0 333.691 2.879 10 5 EFBERN CC(C)(NC(=O)NCc1cccnc1F)c1ccccc1[N+](=O)[O-] ZINC000813742013 1286103879 /nfs/dbraw/zinc/10/38/79/1286103879.db2.gz WYQDSGWPXGEGOU-UHFFFAOYSA-N 0 0 332.335 2.863 10 5 EFBERN CC(C)(C(=O)OCCC[C@H]1CCCCC1=O)n1cc([N+](=O)[O-])cn1 ZINC000813959412 1286206460 /nfs/dbraw/zinc/20/64/60/1286206460.db2.gz HKTRIOUVJZMMNM-GFCCVEGCSA-N 0 0 337.376 2.609 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](c1ccccc1)C(F)F ZINC000813975632 1286227553 /nfs/dbraw/zinc/22/75/53/1286227553.db2.gz YKPCADAPEDAOPL-ZDUSSCGKSA-N 0 0 325.271 2.649 10 5 EFBERN COC(=O)[C@@H](CCSC)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000814022134 1286244071 /nfs/dbraw/zinc/24/40/71/1286244071.db2.gz LFRRXCYWFKFZCT-LLVKDONJSA-N 0 0 347.776 2.700 10 5 EFBERN CCc1ccc(C(=O)O[C@H](CCSC)C(=O)OC)cc1[N+](=O)[O-] ZINC000814023502 1286244988 /nfs/dbraw/zinc/24/49/88/1286244988.db2.gz YGQMEVWGXQBZQA-CYBMUJFWSA-N 0 0 341.385 2.609 10 5 EFBERN COC(=O)[C@@H](CCSC)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000814026901 1286246261 /nfs/dbraw/zinc/24/62/61/1286246261.db2.gz BTZOARYEGVISNW-GXFFZTMASA-N 0 0 341.385 2.536 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000814035513 1286253434 /nfs/dbraw/zinc/25/34/34/1286253434.db2.gz OKKFOYMQXKJHSP-VIFPVBQESA-N 0 0 343.261 2.713 10 5 EFBERN Cc1ccc(-c2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC001134027601 1286257369 /nfs/dbraw/zinc/25/73/69/1286257369.db2.gz GIHKNXOCLILABO-UHFFFAOYSA-N 0 0 337.339 2.800 10 5 EFBERN COCCSCCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000814009928 1286258432 /nfs/dbraw/zinc/25/84/32/1286258432.db2.gz ODMNXQDTMFYWLN-SNVBAGLBSA-N 0 0 331.365 2.760 10 5 EFBERN COCCSCCOC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000814008210 1286258566 /nfs/dbraw/zinc/25/85/66/1286258566.db2.gz BWGWJEINJDJZHY-VAWYXSNFSA-N 0 0 325.386 2.921 10 5 EFBERN COCCSCCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000814010037 1286261276 /nfs/dbraw/zinc/26/12/76/1286261276.db2.gz RKYIWZVXKGXHBN-UHFFFAOYSA-N 0 0 327.402 2.795 10 5 EFBERN Cc1ccc(O[C@H](C)C(=O)O[C@H](C)C[N+](=O)[O-])c(Br)c1 ZINC000814037783 1286268706 /nfs/dbraw/zinc/26/87/06/1286268706.db2.gz GMUZYXPVVRUZOJ-NXEZZACHSA-N 0 0 346.177 2.733 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)CCCc1cccc(Br)c1 ZINC000814040550 1286271725 /nfs/dbraw/zinc/27/17/25/1286271725.db2.gz ISYXFRMHOIOLJU-JTQLQIEISA-N 0 0 330.178 2.980 10 5 EFBERN Cc1ccc(/C=C/C(=O)O[C@H](C)C[N+](=O)[O-])c(Br)c1 ZINC000814043792 1286272993 /nfs/dbraw/zinc/27/29/93/1286272993.db2.gz JMNOFCGNBCPIDC-BRAIEQGRSA-N 0 0 328.162 2.979 10 5 EFBERN COc1ccc(C(=O)CC(C)(C)CC(=O)O[C@H](C)C[N+](=O)[O-])cc1 ZINC000814042618 1286273224 /nfs/dbraw/zinc/27/32/24/1286273224.db2.gz YHCVGDOHVDNCPI-GFCCVEGCSA-N 0 0 337.372 2.893 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)C1(c2cccc(Br)c2)CC1 ZINC000814043630 1286273364 /nfs/dbraw/zinc/27/33/64/1286273364.db2.gz ZHMKWPNWOPVITC-SECBINFHSA-N 0 0 328.162 2.689 10 5 EFBERN CCOc1cc2c(cc1/C=C\C(=O)O[C@H](C)C[N+](=O)[O-])O[C@H](C)C2 ZINC000814042974 1286273418 /nfs/dbraw/zinc/27/34/18/1286273418.db2.gz RFZDYVXCQUOBJZ-GKKDLHFNSA-N 0 0 335.356 2.630 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000814044321 1286274621 /nfs/dbraw/zinc/27/46/21/1286274621.db2.gz CWCXJEKMOOPRIR-VIFPVBQESA-N 0 0 343.261 2.713 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000814047078 1286276515 /nfs/dbraw/zinc/27/65/15/1286276515.db2.gz RCWVOXJUFVRCLG-MRVPVSSYSA-N 0 0 345.327 2.559 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001134048546 1286276549 /nfs/dbraw/zinc/27/65/49/1286276549.db2.gz JMDDBTURQFXQRZ-UHFFFAOYSA-N 0 0 345.330 2.679 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)CCCc1ccccc1Br ZINC000814048812 1286276616 /nfs/dbraw/zinc/27/66/16/1286276616.db2.gz WXAVWGCZSIPEEZ-SNVBAGLBSA-N 0 0 330.178 2.980 10 5 EFBERN CCc1nc(C)c(COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)o1 ZINC000814069982 1286284805 /nfs/dbraw/zinc/28/48/05/1286284805.db2.gz DMHMUVACPGNSDG-UHFFFAOYSA-N 0 0 348.311 2.582 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001134089777 1286328231 /nfs/dbraw/zinc/32/82/31/1286328231.db2.gz QNLBJOOKIHVFKC-UHFFFAOYSA-N 0 0 339.760 2.922 10 5 EFBERN CCOC(=O)[C@@](C)(NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001134107197 1286341625 /nfs/dbraw/zinc/34/16/25/1286341625.db2.gz JQEVUCCZXWUDIW-CYBMUJFWSA-N 0 0 348.277 2.517 10 5 EFBERN Cc1cccc([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001134133826 1286360698 /nfs/dbraw/zinc/36/06/98/1286360698.db2.gz USKHRXLSUKYHEA-NSHDSACASA-N 0 0 327.340 2.744 10 5 EFBERN Cc1cccc(C2(C(=O)Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)c1 ZINC001134133500 1286360897 /nfs/dbraw/zinc/36/08/97/1286360897.db2.gz OEBAQUGOEZFWPF-UHFFFAOYSA-N 0 0 339.351 2.672 10 5 EFBERN COC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001134140554 1286391042 /nfs/dbraw/zinc/39/10/42/1286391042.db2.gz AZMRZQWEFMDQAZ-CQSZACIVSA-N 0 0 340.335 2.587 10 5 EFBERN CC1(C)C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCS1 ZINC001134188126 1286434180 /nfs/dbraw/zinc/43/41/80/1286434180.db2.gz MMTIMJTZZLCYIQ-VIFPVBQESA-N 0 0 334.401 2.875 10 5 EFBERN Cc1cc(=O)[nH]c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000814261607 1286449481 /nfs/dbraw/zinc/44/94/81/1286449481.db2.gz CICLNLWFVODSJC-UHFFFAOYSA-N 0 0 335.747 2.929 10 5 EFBERN CCC[C@H](C)C(=O)NCCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000814263361 1286450102 /nfs/dbraw/zinc/45/01/02/1286450102.db2.gz BWBMKKZKHIZXDG-JTQLQIEISA-N 0 0 327.356 2.707 10 5 EFBERN COc1cccc(F)c1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC001134267678 1286513336 /nfs/dbraw/zinc/51/33/36/1286513336.db2.gz CUSLYYSEXABPKK-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN COc1cc(C(=O)N2CCN(C)C[C@H]2CC(C)C)cc([N+](=O)[O-])c1C ZINC001134280498 1286527481 /nfs/dbraw/zinc/52/74/81/1286527481.db2.gz ZKCZFOOPNUEBOH-OAHLLOKOSA-N 0 0 349.431 2.714 10 5 EFBERN C[C@]12CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001134315139 1286556535 /nfs/dbraw/zinc/55/65/35/1286556535.db2.gz CNSYLXSPQJIWIC-URLYELCFSA-N 0 0 330.384 2.868 10 5 EFBERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000828589841 1286558314 /nfs/dbraw/zinc/55/83/14/1286558314.db2.gz LBAAZSCWHRQDKQ-GHMZBOCLSA-N 0 0 349.391 2.956 10 5 EFBERN NC(=O)c1cc(NC(=O)C(F)(F)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001134357996 1286590723 /nfs/dbraw/zinc/59/07/23/1286590723.db2.gz IEZDGUNUEFTTEI-UHFFFAOYSA-N 0 0 349.293 2.510 10 5 EFBERN C[C@@H]1C[C@H](COC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCO1 ZINC000814484169 1286653588 /nfs/dbraw/zinc/65/35/88/1286653588.db2.gz VGBOFGOGKRYJBH-GHMZBOCLSA-N 0 0 340.351 2.772 10 5 EFBERN C[C@H]1C[C@H](COC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCO1 ZINC000814484175 1286653655 /nfs/dbraw/zinc/65/36/55/1286653655.db2.gz VGBOFGOGKRYJBH-WDEREUQCSA-N 0 0 340.351 2.772 10 5 EFBERN CC(C)[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC001134486305 1286782927 /nfs/dbraw/zinc/78/29/27/1286782927.db2.gz UDCCRWZCDFRXEM-KRWDZBQOSA-N 0 0 345.403 2.644 10 5 EFBERN CCc1c(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cnn1CC ZINC001134502961 1286798830 /nfs/dbraw/zinc/79/88/30/1286798830.db2.gz XWKZONITNYJSNV-LBPRGKRZSA-N 0 0 330.388 2.907 10 5 EFBERN COc1cc(C(=O)NCCCOc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC001134646458 1287009373 /nfs/dbraw/zinc/00/93/73/1287009373.db2.gz PSTCGGZIDJEDFO-UHFFFAOYSA-N 0 0 348.330 2.941 10 5 EFBERN O=C(N[C@H](c1ccncc1)C1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001134646862 1287009421 /nfs/dbraw/zinc/00/94/21/1287009421.db2.gz XOPDGPPRPPBETP-HNNXBMFYSA-N 0 0 337.339 2.747 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC001134666104 1287039155 /nfs/dbraw/zinc/03/91/55/1287039155.db2.gz OUPZFYWIPKWORM-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN Cc1noc(CCCC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001179398067 1289121268 /nfs/dbraw/zinc/12/12/68/1289121268.db2.gz DFVQNRXQTBBWJJ-LLVKDONJSA-N 0 0 332.360 2.529 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001134684792 1287044840 /nfs/dbraw/zinc/04/48/40/1287044840.db2.gz IAMVLLBSEQVYCO-UHFFFAOYSA-N 0 0 345.311 2.542 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000871416963 1287047645 /nfs/dbraw/zinc/04/76/45/1287047645.db2.gz UDIMDEXKUBOJST-MRXNPFEDSA-N 0 0 338.367 2.615 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@](C)(C(F)(F)F)C1 ZINC000871437427 1287068716 /nfs/dbraw/zinc/06/87/16/1287068716.db2.gz JPGGLHSMKVYAEO-ZDUSSCGKSA-N 0 0 332.278 2.697 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 ZINC000871440855 1287072729 /nfs/dbraw/zinc/07/27/29/1287072729.db2.gz HJPONDRKLNDYCQ-CYBMUJFWSA-N 0 0 332.278 2.697 10 5 EFBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000871470958 1287094095 /nfs/dbraw/zinc/09/40/95/1287094095.db2.gz AGWXHGXPAWTNOC-HNNXBMFYSA-N 0 0 334.372 2.542 10 5 EFBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000871474661 1287097997 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EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CCC12CCOCC2 ZINC000871590005 1287164550 /nfs/dbraw/zinc/16/45/50/1287164550.db2.gz ZLDOZFUHNZOMDB-CYBMUJFWSA-N 0 0 336.363 2.599 10 5 EFBERN Cc1cncc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC001174753993 1287170167 /nfs/dbraw/zinc/17/01/67/1287170167.db2.gz KXDQPEOFPCYAQL-HNNXBMFYSA-N 0 0 344.346 2.997 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)c1cc(C)ccc1Cl ZINC000871636952 1287184435 /nfs/dbraw/zinc/18/44/35/1287184435.db2.gz WZXXZQLTNWXKDD-UHFFFAOYSA-N 0 0 343.792 2.535 10 5 EFBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000871649604 1287191092 /nfs/dbraw/zinc/19/10/92/1287191092.db2.gz IEMYROJBHASXQD-UTLUCORTSA-N 0 0 330.182 2.820 10 5 EFBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@@H]1CC2(CCC2)CO1 ZINC000871649037 1287191308 /nfs/dbraw/zinc/19/13/08/1287191308.db2.gz CDDORNORGUAJER-VIFPVBQESA-N 0 0 330.182 2.821 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871651687 1287192523 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EFBERN CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000822857502 1289140529 /nfs/dbraw/zinc/14/05/29/1289140529.db2.gz ZYCFQDWQOVZGHD-UHFFFAOYSA-N 0 0 349.387 2.658 10 5 EFBERN Cc1cc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c(N)c([N+](=O)[O-])c1 ZINC001179444528 1289140899 /nfs/dbraw/zinc/14/08/99/1289140899.db2.gz HJJSMBJYLRFJRM-WKZPIUISSA-N 0 0 329.400 2.994 10 5 EFBERN Cc1nnc(N2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC001176287135 1287924878 /nfs/dbraw/zinc/92/48/78/1287924878.db2.gz CZBSVDMOMUABKI-LLVKDONJSA-N 0 0 333.417 2.638 10 5 EFBERN CN(Cc1ccccc1Cl)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001135421630 1288020637 /nfs/dbraw/zinc/02/06/37/1288020637.db2.gz OJNPQYYHOZBGPA-OAHLLOKOSA-N 0 0 334.759 2.940 10 5 EFBERN COc1cc(C(=O)OCc2nc(OC)c(C)cc2C)ccc1[N+](=O)[O-] ZINC000816326586 1288069930 /nfs/dbraw/zinc/06/99/30/1288069930.db2.gz BUUPBHHGNCJBKE-UHFFFAOYSA-N 0 0 346.339 2.981 10 5 EFBERN CN(Cc1ccc(C(N)=O)cc1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001135591442 1288169020 /nfs/dbraw/zinc/16/90/20/1288169020.db2.gz PKNWIOXRARZLLH-UHFFFAOYSA-N 0 0 347.758 2.619 10 5 EFBERN Cc1cccnc1[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001176899214 1288183436 /nfs/dbraw/zinc/18/34/36/1288183436.db2.gz WUSJCCWXHPPDSY-ZDUSSCGKSA-N 0 0 328.372 2.896 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1[N+](=O)[O-] ZINC001176952151 1288192701 /nfs/dbraw/zinc/19/27/01/1288192701.db2.gz LOUVLJLLEAFKKJ-FWDPORAESA-N 0 0 339.779 2.518 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001135673981 1288258157 /nfs/dbraw/zinc/25/81/57/1288258157.db2.gz HXBFXNXGMOMBPA-UHFFFAOYSA-N 0 0 327.218 2.967 10 5 EFBERN CCC(C)(C)NC(=O)COC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000830360725 1288302106 /nfs/dbraw/zinc/30/21/06/1288302106.db2.gz SLNBJQYDPVFVTI-UHFFFAOYSA-N 0 0 326.324 2.504 10 5 EFBERN CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC001177253612 1288352012 /nfs/dbraw/zinc/35/20/12/1288352012.db2.gz ZETIEWNRIYJXMJ-JKSUJKDBSA-N 0 0 332.331 2.976 10 5 EFBERN CCc1nnc(COC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])s1 ZINC000830368890 1288385903 /nfs/dbraw/zinc/38/59/03/1288385903.db2.gz CXHLIEQZQYTSDP-UHFFFAOYSA-N 0 0 325.321 2.813 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000817038720 1288386587 /nfs/dbraw/zinc/38/65/87/1288386587.db2.gz CLLSLTCARSWKDS-UHFFFAOYSA-N 0 0 344.327 2.872 10 5 EFBERN Cn1cc(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000817038248 1288388004 /nfs/dbraw/zinc/38/80/04/1288388004.db2.gz COWPIIKXYYVRSG-UHFFFAOYSA-N 0 0 336.779 2.576 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC(C)(C)OC1=O ZINC000817071214 1288401361 /nfs/dbraw/zinc/40/13/61/1288401361.db2.gz ZOEXSPWZNIUQJB-CFRMROPGSA-N 0 0 332.356 2.551 10 5 EFBERN O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001177470277 1288433838 /nfs/dbraw/zinc/43/38/38/1288433838.db2.gz FSCYJHHPFHRZMA-UHFFFAOYSA-N 0 0 329.143 2.597 10 5 EFBERN COc1ccc(NC(=O)COC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000817205066 1288469724 /nfs/dbraw/zinc/46/97/24/1288469724.db2.gz HLTGZMXEDCXLNH-TUAOUCFPSA-N 0 0 348.355 2.521 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001177601623 1288487931 /nfs/dbraw/zinc/48/79/31/1288487931.db2.gz ABDSMZXHJXXGQM-IAQYHMDHSA-N 0 0 326.356 2.795 10 5 EFBERN COC(=O)c1ccccc1CCn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001165735579 1312672411 /nfs/dbraw/zinc/67/24/11/1312672411.db2.gz NQYOMEZWHUCXGP-UHFFFAOYSA-N 0 0 340.339 2.677 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1c[nH]nc1C(F)(F)F ZINC001177790653 1288547787 /nfs/dbraw/zinc/54/77/87/1288547787.db2.gz UXASZGZEWXJXLM-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC12CCSCC2 ZINC000817459903 1288602723 /nfs/dbraw/zinc/60/27/23/1288602723.db2.gz IAEWZBNJOVYGPU-LBPRGKRZSA-N 0 0 349.456 2.924 10 5 EFBERN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001177939461 1288606088 /nfs/dbraw/zinc/60/60/88/1288606088.db2.gz RAPFNFSPUGSZSE-HZMBPMFUSA-N 0 0 340.351 2.832 10 5 EFBERN COCCN(CCF)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000852482725 1299719646 /nfs/dbraw/zinc/71/96/46/1299719646.db2.gz MBVQDAKZWRPAFW-LLVKDONJSA-N 0 0 338.339 2.624 10 5 EFBERN Cn1cnc2cc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)ccc21 ZINC001178000924 1288617377 /nfs/dbraw/zinc/61/73/77/1288617377.db2.gz BJHHGXFCQXMZOJ-UHFFFAOYSA-N 0 0 349.350 2.893 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2cc(C(F)F)on2)c1[N+](=O)[O-] ZINC001178011091 1288621079 /nfs/dbraw/zinc/62/10/79/1288621079.db2.gz PFRPFPMNLXAZHT-UHFFFAOYSA-N 0 0 329.234 2.898 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc(C(F)F)on1 ZINC001178011464 1288621964 /nfs/dbraw/zinc/62/19/64/1288621964.db2.gz TXHALUKBYRHXGC-UHFFFAOYSA-N 0 0 340.286 2.639 10 5 EFBERN O=C(NCc1ccc(Cl)s1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001135937777 1288644868 /nfs/dbraw/zinc/64/48/68/1288644868.db2.gz ZZAUXAMTFWMANQ-LBPRGKRZSA-N 0 0 326.761 2.660 10 5 EFBERN CN1C(=O)N(c2ccc([N+](=O)[O-])c3ccncc32)C(=O)C12CCCC2 ZINC000864566410 1302977952 /nfs/dbraw/zinc/97/79/52/1302977952.db2.gz RVMMWNKDXFTROP-UHFFFAOYSA-N 0 0 340.339 2.854 10 5 EFBERN CC(C)CN1CC(=O)N(c2ccc([N+](=O)[O-])c3ccncc32)C1=O ZINC000864566880 1302978442 /nfs/dbraw/zinc/97/84/42/1302978442.db2.gz VHYOXPHIUYVJCV-UHFFFAOYSA-N 0 0 328.328 2.568 10 5 EFBERN C[C@](O)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001178260511 1288733021 /nfs/dbraw/zinc/73/30/21/1288733021.db2.gz LHPZFEDUFUCOQH-INIZCTEOSA-N 0 0 336.294 2.511 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)c1cccc(F)c1 ZINC001178261120 1288733443 /nfs/dbraw/zinc/73/34/43/1288733443.db2.gz RPNMDFHAGKPKHD-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN CC(C)(C(=O)N1CCC(c2ncon2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001178358821 1288764067 /nfs/dbraw/zinc/76/40/67/1288764067.db2.gz PJTFOIFAZBOYRP-UHFFFAOYSA-N 0 0 344.371 2.662 10 5 EFBERN Cc1nn(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1Br ZINC000821664131 1288771594 /nfs/dbraw/zinc/77/15/94/1288771594.db2.gz FKJIIQJFUHYPHS-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN CC(C)CN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001178498593 1288790306 /nfs/dbraw/zinc/79/03/06/1288790306.db2.gz BAKGLHKXWQSBPU-UHFFFAOYSA-N 0 0 328.372 2.870 10 5 EFBERN CCn1c(SCCOC(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001165788988 1312681525 /nfs/dbraw/zinc/68/15/25/1312681525.db2.gz HRPPWGASVYAWQO-UHFFFAOYSA-N 0 0 336.373 2.528 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](c2cnccn2)C1 ZINC001178841880 1288939114 /nfs/dbraw/zinc/93/91/14/1288939114.db2.gz WWTOGAJXDSEGPW-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN COc1ccc(CC(=O)NC2CC(Cl)(Cl)C2)cc1[N+](=O)[O-] ZINC001178869666 1288950505 /nfs/dbraw/zinc/95/05/05/1288950505.db2.gz HYKXDRCSOZBQBB-UHFFFAOYSA-N 0 0 333.171 2.598 10 5 EFBERN C[C@@H]1CC[C@@H](O)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000823114311 1289213572 /nfs/dbraw/zinc/21/35/72/1289213572.db2.gz USZCJYGEPKCGHI-GHMZBOCLSA-N 0 0 326.780 2.553 10 5 EFBERN COc1ccc2c(c1)ncn(Cc1ccc(F)cc1[N+](=O)[O-])c2=O ZINC001165878916 1312696515 /nfs/dbraw/zinc/69/65/15/1312696515.db2.gz XOIPFOKIWVAGRS-UHFFFAOYSA-N 0 0 329.287 2.501 10 5 EFBERN CCCc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)n[nH]1 ZINC000823230833 1289248412 /nfs/dbraw/zinc/24/84/12/1289248412.db2.gz RFLVQKNRPBHHBG-UHFFFAOYSA-N 0 0 349.322 2.620 10 5 EFBERN COc1ccccc1OCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001136697640 1289256196 /nfs/dbraw/zinc/25/61/96/1289256196.db2.gz YYXHPXHCYRGVPR-UHFFFAOYSA-N 0 0 348.330 2.941 10 5 EFBERN Cc1ccc(NC(=O)c2cn(C3CC3)c(C)cc2=O)c(N)c1[N+](=O)[O-] ZINC001179879332 1289303153 /nfs/dbraw/zinc/30/31/53/1289303153.db2.gz JTOJQMUSQVOZQK-UHFFFAOYSA-N 0 0 342.355 2.543 10 5 EFBERN COC(=O)c1cnc([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000823456871 1289305758 /nfs/dbraw/zinc/30/57/58/1289305758.db2.gz TVYARENZSLTRRU-MRVPVSSYSA-N 0 0 339.348 2.828 10 5 EFBERN O=C(N[C@@H](CO)C(F)(F)F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001179904200 1289327940 /nfs/dbraw/zinc/32/79/40/1289327940.db2.gz FYNAXUDXTMJUIJ-ZETCQYMHSA-N 0 0 347.076 2.555 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cnn(CC(F)(F)F)c1 ZINC001136750121 1289384360 /nfs/dbraw/zinc/38/43/60/1289384360.db2.gz KOYOKWGDBZBHAD-UHFFFAOYSA-N 0 0 346.240 2.674 10 5 EFBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3nccn3CC(F)F)c2)c1 ZINC001165926247 1312705519 /nfs/dbraw/zinc/70/55/19/1312705519.db2.gz SISBRJLNBNVBHU-UHFFFAOYSA-N 0 0 333.298 2.968 10 5 EFBERN O=[N+]([O-])c1cccc(-c2cnn(Cc3cccnc3[N+](=O)[O-])c2)c1 ZINC001165926332 1312705833 /nfs/dbraw/zinc/70/58/33/1312705833.db2.gz UTPBVCYGWBFPOF-UHFFFAOYSA-N 0 0 325.284 2.810 10 5 EFBERN C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC001136772418 1289425200 /nfs/dbraw/zinc/42/52/00/1289425200.db2.gz BEEJLBVQCGRMAS-JTQLQIEISA-N 0 0 343.836 2.503 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000825633149 1289434448 /nfs/dbraw/zinc/43/44/48/1289434448.db2.gz BPVMGDZKGUSNOA-WZNJSSNCSA-N 0 0 330.384 2.787 10 5 EFBERN CC(=O)C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000872935687 1289475482 /nfs/dbraw/zinc/47/54/82/1289475482.db2.gz NUZUUCGIALSDBH-UHFFFAOYSA-N 0 0 339.779 2.759 10 5 EFBERN Nc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000823951090 1289487689 /nfs/dbraw/zinc/48/76/89/1289487689.db2.gz PALNOXFMGPWBQQ-QMMMGPOBSA-N 0 0 332.282 2.983 10 5 EFBERN Nc1ccc(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000823962227 1289491096 /nfs/dbraw/zinc/49/10/96/1289491096.db2.gz POLMLCCBDVPDFT-MRXNPFEDSA-N 0 0 348.403 2.990 10 5 EFBERN CC(C)[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000823927039 1289494531 /nfs/dbraw/zinc/49/45/31/1289494531.db2.gz LMLQIGGKMOWYSU-HNNXBMFYSA-N 0 0 348.403 2.652 10 5 EFBERN Nc1ccc(NC(=O)N2CC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000823945765 1289496405 /nfs/dbraw/zinc/49/64/05/1289496405.db2.gz WHJJDKMJOGDJAR-NSHDSACASA-N 0 0 327.344 2.593 10 5 EFBERN Cc1c2cc(F)ccc2oc1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136805904 1289509768 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Cn1cc([N+](=O)[O-])c(C(=O)Oc2cnc3ccc(Cl)cc3c2)n1 ZINC000794425544 1294180489 /nfs/dbraw/zinc/18/04/89/1294180489.db2.gz BUJSLKQSSXLFNJ-UHFFFAOYSA-N 0 0 332.703 2.749 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccc(O)cc2C1 ZINC001196274610 1294188587 /nfs/dbraw/zinc/18/85/87/1294188587.db2.gz IGWFYPYYCLRTFY-LLVKDONJSA-N 0 0 327.340 2.643 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(C)c2c(c1)CCCN2 ZINC000923688394 1294198990 /nfs/dbraw/zinc/19/89/90/1294198990.db2.gz HLXTXPZAPZPYHB-UHFFFAOYSA-N 0 0 344.371 2.623 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000884697431 1294222779 /nfs/dbraw/zinc/22/27/79/1294222779.db2.gz ZFVHNQADKVCYPV-WHCBVINPSA-N 0 0 334.372 2.936 10 5 EFBERN CCOc1cc(OS(=O)(=O)C2(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000867184242 1294294891 /nfs/dbraw/zinc/29/48/91/1294294891.db2.gz UNVHPRXJTFYMNW-UHFFFAOYSA-N 0 0 329.374 2.891 10 5 EFBERN C/C(=C\C(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000885199671 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347.415 2.557 10 5 EFBERN C[C@H](c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000903810477 1313239879 /nfs/dbraw/zinc/23/98/79/1313239879.db2.gz BUYKBKQPCCXXMD-SMDDNHRTSA-N 0 0 332.360 2.897 10 5 EFBERN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001296265511 1322875904 /nfs/dbraw/zinc/87/59/04/1322875904.db2.gz RVGGKBSBOXCQPF-WDSKDSINSA-N 0 0 340.689 2.774 10 5 EFBERN CCc1onc(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000776166805 1296795961 /nfs/dbraw/zinc/79/59/61/1296795961.db2.gz LNRUACIWZGNRMB-SNVBAGLBSA-N 0 0 347.327 2.638 10 5 EFBERN COc1ccc([S@](C)(=O)=NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000925970627 1296893650 /nfs/dbraw/zinc/89/36/50/1296893650.db2.gz WOGCKHPOHFMARN-QFIPXVFZSA-N 0 0 328.390 2.514 10 5 EFBERN O=C(NCCC1(c2ccccc2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000927544614 1297028640 /nfs/dbraw/zinc/02/86/40/1297028640.db2.gz XKOXOCAACOVFOV-QGZVFWFLSA-N 0 0 340.379 2.866 10 5 EFBERN 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/nfs/dbraw/zinc/57/49/26/1303574926.db2.gz RZYDDUKHZWVJMU-MRXNPFEDSA-N 0 0 329.356 2.885 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000866235991 1303575802 /nfs/dbraw/zinc/57/58/02/1303575802.db2.gz QPGPZNYNBWWNQE-HNNXBMFYSA-N 0 0 346.387 2.706 10 5 EFBERN CC[C@@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000866300501 1303594200 /nfs/dbraw/zinc/59/42/00/1303594200.db2.gz AYEUVTZENDMBTJ-RYUDHWBXSA-N 0 0 341.383 2.532 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@@H](O)C1CCCC1 ZINC000866303590 1303594696 /nfs/dbraw/zinc/59/46/96/1303594696.db2.gz UQZGTCHCTUNFNE-SECBINFHSA-N 0 0 336.314 2.700 10 5 EFBERN CC(C)(C)OCCS(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000866618108 1303712707 /nfs/dbraw/zinc/71/27/07/1303712707.db2.gz VOUYRKRTWXQPFD-UHFFFAOYSA-N 0 0 337.781 2.772 10 5 EFBERN COC1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000866620313 1303714362 /nfs/dbraw/zinc/71/43/62/1303714362.db2.gz ZQLKZQBJMQJCBZ-UHFFFAOYSA-N 0 0 335.765 2.526 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC(C(F)F)C1 ZINC000866701358 1303754942 /nfs/dbraw/zinc/75/49/42/1303754942.db2.gz OODHBEDWDUUECM-UHFFFAOYSA-N 0 0 349.131 2.623 10 5 EFBERN Cc1cc(S(=O)(=O)NCCSC(C)(C)C)c([N+](=O)[O-])s1 ZINC000866718895 1303765532 /nfs/dbraw/zinc/76/55/32/1303765532.db2.gz QBJDNAFHFQUGMU-UHFFFAOYSA-N 0 0 338.476 2.775 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C2CC2)cc1F ZINC000866730837 1303770438 /nfs/dbraw/zinc/77/04/38/1303770438.db2.gz CYDNSKLITRPNPG-LBPRGKRZSA-N 0 0 328.365 2.605 10 5 EFBERN CCOC(=O)/C(=C/c1ccc(F)nc1C)c1ccc([N+](=O)[O-])cn1 ZINC000794951168 1303783285 /nfs/dbraw/zinc/78/32/85/1303783285.db2.gz XKDWUMKFVADDAW-MDWZMJQESA-N 0 0 331.303 2.936 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCC[C@H]1CCCC[C@H]1O ZINC000866792092 1303795423 /nfs/dbraw/zinc/79/54/23/1303795423.db2.gz SZMQJADDHQPBBZ-IUODEOHRSA-N 0 0 338.379 2.724 10 5 EFBERN CCc1ccc(OS(=O)(=O)C[C@@H]2CCC2(F)F)c([N+](=O)[O-])c1 ZINC000866797909 1303798047 /nfs/dbraw/zinc/79/80/47/1303798047.db2.gz WPQKLJRQJFKREP-JTQLQIEISA-N 0 0 335.328 2.911 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCSC2)c1C ZINC000867575787 1303864241 /nfs/dbraw/zinc/86/42/41/1303864241.db2.gz XJULFPDKCRFREU-LBPRGKRZSA-N 0 0 344.458 2.633 10 5 EFBERN CCN(C(=O)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000867602833 1303875486 /nfs/dbraw/zinc/87/54/86/1303875486.db2.gz JDCVMYSMZZOAMY-UHFFFAOYSA-N 0 0 347.415 2.557 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCCS1 ZINC000867660029 1303895612 /nfs/dbraw/zinc/89/56/12/1303895612.db2.gz JXPWVYDGVVOXHH-JTQLQIEISA-N 0 0 348.421 2.606 10 5 EFBERN Cc1c(CNC(=O)C[C@@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000867734580 1303929720 /nfs/dbraw/zinc/92/97/20/1303929720.db2.gz VPKDAJBACUIVQW-HNNXBMFYSA-N 0 0 326.352 2.913 10 5 EFBERN Cc1c(CNC(=O)c2cccn(C(C)(C)C)c2=O)cccc1[N+](=O)[O-] ZINC000867735021 1303930428 /nfs/dbraw/zinc/93/04/28/1303930428.db2.gz XRLNNRUCWNBSEZ-UHFFFAOYSA-N 0 0 343.383 2.750 10 5 EFBERN Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000867894532 1304007382 /nfs/dbraw/zinc/00/73/82/1304007382.db2.gz FGDOVWRENCBFBL-INIZCTEOSA-N 0 0 347.396 2.824 10 5 EFBERN COc1ccccc1CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867956056 1304043553 /nfs/dbraw/zinc/04/35/53/1304043553.db2.gz LISVBPOZPPXAGW-UHFFFAOYSA-N 0 0 343.383 2.954 10 5 EFBERN C[C@](N)(C(=O)N(CCC1CC1)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867987549 1304061342 /nfs/dbraw/zinc/06/13/42/1304061342.db2.gz NGUPPDXBBIFUKH-GOSISDBHSA-N 0 0 331.416 2.807 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000868042687 1304091601 /nfs/dbraw/zinc/09/16/01/1304091601.db2.gz SLBPRNFARXFACA-OAHLLOKOSA-N 0 0 341.367 2.706 10 5 EFBERN CCc1nc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000868224392 1304196068 /nfs/dbraw/zinc/19/60/68/1304196068.db2.gz HOICCOMKRACRHA-UHFFFAOYSA-N 0 0 334.401 2.922 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000868313300 1304237603 /nfs/dbraw/zinc/23/76/03/1304237603.db2.gz ZXSRGEJUZGRZDR-IMJJTQAJSA-N 0 0 347.415 2.906 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2CSC[C@H]2C1 ZINC000868317943 1304240464 /nfs/dbraw/zinc/24/04/64/1304240464.db2.gz WCXMFUSBWSFGEH-UONOGXRCSA-N 0 0 335.429 2.532 10 5 EFBERN CCc1cnc(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000868323406 1304243662 /nfs/dbraw/zinc/24/36/62/1304243662.db2.gz JESFVXZSBKXDNP-UHFFFAOYSA-N 0 0 348.428 2.964 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000868437382 1304296026 /nfs/dbraw/zinc/29/60/26/1304296026.db2.gz NNOLWHWWALFRNT-FVQBIDKESA-N 0 0 345.399 2.660 10 5 EFBERN C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000868475806 1304313085 /nfs/dbraw/zinc/31/30/85/1304313085.db2.gz CAZCRCCOTDEWHI-TUKIKUTGSA-N 0 0 333.388 2.770 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000868475805 1304313191 /nfs/dbraw/zinc/31/31/91/1304313191.db2.gz CAZCRCCOTDEWHI-BYCMXARLSA-N 0 0 333.388 2.770 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C ZINC000868575780 1304362704 /nfs/dbraw/zinc/36/27/04/1304362704.db2.gz FJGBSOQKOPCUHG-RKDXNWHRSA-N 0 0 327.178 2.767 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000868753352 1304455246 /nfs/dbraw/zinc/45/52/46/1304455246.db2.gz YRXHXGRWJSKGIH-CYBMUJFWSA-N 0 0 328.372 2.729 10 5 EFBERN CCOC(CN(CC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)OCC ZINC000868766397 1304463438 /nfs/dbraw/zinc/46/34/38/1304463438.db2.gz GHOJTIPQQCESRZ-FMIVXFBMSA-N 0 0 336.388 2.856 10 5 EFBERN CCOC(CN(CC)C(=O)c1cc(F)ccc1[N+](=O)[O-])OCC ZINC000868770494 1304465896 /nfs/dbraw/zinc/46/58/96/1304465896.db2.gz JRYQOEYXNUXUIH-UHFFFAOYSA-N 0 0 328.340 2.595 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000868996964 1304568221 /nfs/dbraw/zinc/56/82/21/1304568221.db2.gz XQIYHCBLFJSLHK-NVXWUHKLSA-N 0 0 347.415 2.908 10 5 EFBERN Cc1ccc(CNC(=O)N(C)CCc2nccs2)cc1[N+](=O)[O-] ZINC000869052877 1304591866 /nfs/dbraw/zinc/59/18/66/1304591866.db2.gz FXOLDFIVIZEWQT-UHFFFAOYSA-N 0 0 334.401 2.744 10 5 EFBERN Cn1ncc(C2CCC2)c1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869279315 1304694576 /nfs/dbraw/zinc/69/45/76/1304694576.db2.gz BYYQYYLJCNOFDY-UHFFFAOYSA-N 0 0 346.362 2.594 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000869282877 1304696459 /nfs/dbraw/zinc/69/64/59/1304696459.db2.gz GCLAVZTZQHQVMW-GHMZBOCLSA-N 0 0 339.189 2.768 10 5 EFBERN CC(C)(C)OC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000869307716 1304710090 /nfs/dbraw/zinc/71/00/90/1304710090.db2.gz VBHJZGOIUKYNRT-LLVKDONJSA-N 0 0 327.358 2.933 10 5 EFBERN O=C(O[C@H]1CCN(C2CCC2)C1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000869313322 1304713847 /nfs/dbraw/zinc/71/38/47/1304713847.db2.gz ALGWTCLOIKDKAQ-ZDUSSCGKSA-N 0 0 338.747 2.558 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC2(CO1)CCOCC2 ZINC000869316252 1304714575 /nfs/dbraw/zinc/71/45/75/1304714575.db2.gz NYUXIZWZVDIIEV-GIZXNFQBSA-N 0 0 347.367 2.737 10 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1304926974 /nfs/dbraw/zinc/92/69/74/1304926974.db2.gz WGRRPQZXRQXXRH-UHFFFAOYSA-N 0 0 342.298 2.536 10 5 EFBERN CC(C)(CCC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000869712099 1304927723 /nfs/dbraw/zinc/92/77/23/1304927723.db2.gz VEDXSDAVDBPHMS-GFCCVEGCSA-N 0 0 348.321 2.691 10 5 EFBERN O=C(COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1nccs1 ZINC000869810253 1304980699 /nfs/dbraw/zinc/98/06/99/1304980699.db2.gz GRPVTWSSXVPXHY-UHFFFAOYSA-N 0 0 346.364 2.899 10 5 EFBERN Cc1ncc(COC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000869810541 1304981486 /nfs/dbraw/zinc/98/14/86/1304981486.db2.gz IMRKZHAQZOAOPA-UHFFFAOYSA-N 0 0 327.340 2.858 10 5 EFBERN Cn1cncc1CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811007 1304981647 /nfs/dbraw/zinc/98/16/47/1304981647.db2.gz MUCAYVKSQDSRSC-UHFFFAOYSA-N 0 0 329.356 2.536 10 5 EFBERN CCC(C)(C)NC(=O)COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810792 1304981843 /nfs/dbraw/zinc/98/18/43/1304981843.db2.gz GNQORHIMHSKQMW-UHFFFAOYSA-N 0 0 348.399 2.865 10 5 EFBERN CC1(C)[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1O ZINC000869830644 1304994164 /nfs/dbraw/zinc/99/41/64/1304994164.db2.gz LDNQWUKYFOCYPG-YUTCNCBUSA-N 0 0 338.791 2.870 10 5 EFBERN CO[C@H]1CCn2cc(C(=O)O[C@@H](C)c3ccccc3[N+](=O)[O-])nc2C1 ZINC000869841337 1304998714 /nfs/dbraw/zinc/99/87/14/1304998714.db2.gz OPUUJXHMROWRCE-RYUDHWBXSA-N 0 0 345.355 2.671 10 5 EFBERN CCO[C@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000869875617 1305016854 /nfs/dbraw/zinc/01/68/54/1305016854.db2.gz MJKLJHANJDNPOU-HNNXBMFYSA-N 0 0 341.335 2.609 10 5 EFBERN CCO[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000869875618 1305016904 /nfs/dbraw/zinc/01/69/04/1305016904.db2.gz MJKLJHANJDNPOU-OAHLLOKOSA-N 0 0 341.335 2.609 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000869890818 1305024681 /nfs/dbraw/zinc/02/46/81/1305024681.db2.gz GCRLCGUCVZMZJT-KLHWPWHYSA-N 0 0 336.319 2.508 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000869891418 1305025234 /nfs/dbraw/zinc/02/52/34/1305025234.db2.gz KRLPCPDPVYGTTF-FMKGYKFTSA-N 0 0 332.356 2.677 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000869893694 1305025803 /nfs/dbraw/zinc/02/58/03/1305025803.db2.gz LUOLKZUVKXSJFX-OLRMPSLUSA-N 0 0 332.356 2.677 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000869894750 1305026639 /nfs/dbraw/zinc/02/66/39/1305026639.db2.gz XGPXKXSIGXKUJZ-NUGNTBJXSA-N 0 0 336.319 2.508 10 5 EFBERN O=C(N[C@H](CCc1ccccc1)c1ccccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869897812 1305029640 /nfs/dbraw/zinc/02/96/40/1305029640.db2.gz FABPZCNVZIPHCM-DJIMGWMZSA-N 0 0 325.368 2.537 10 5 EFBERN CCOC1CC2(C[C@@H]2C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000869931232 1305044393 /nfs/dbraw/zinc/04/43/93/1305044393.db2.gz GICNFAUYJNZQKP-UIORMTCPSA-N 0 0 335.356 2.722 10 5 EFBERN CCOC1CC2(C[C@@H]2C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000869934531 1305046057 /nfs/dbraw/zinc/04/60/57/1305046057.db2.gz LQSBBLZRIREDOZ-XOYHFGRZSA-N 0 0 333.340 2.526 10 5 EFBERN CCO[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000869949064 1305052230 /nfs/dbraw/zinc/05/22/30/1305052230.db2.gz KKSRHBRXBKMDTH-YGRLFVJLSA-N 0 0 343.763 2.733 10 5 EFBERN CCO[C@@H]1COCC[C@@H]1CC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000869958713 1305057398 /nfs/dbraw/zinc/05/73/98/1305057398.db2.gz INBNIYIZBOMNNH-IAQYHMDHSA-N 0 0 341.335 2.609 10 5 EFBERN Cc1c(COC(=O)c2cccn(C3CC3)c2=O)cccc1[N+](=O)[O-] ZINC000869993574 1305077263 /nfs/dbraw/zinc/07/72/63/1305077263.db2.gz VXCDFVRLUBTSII-UHFFFAOYSA-N 0 0 328.324 2.757 10 5 EFBERN COc1ccc(C(=O)CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000870227169 1305214239 /nfs/dbraw/zinc/21/42/39/1305214239.db2.gz NQUVGBSQPCTLJD-VXGBXAGGSA-N 0 0 334.372 2.585 10 5 EFBERN CC(=O)N1CCC[C@@H]1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000870440921 1305320415 /nfs/dbraw/zinc/32/04/15/1305320415.db2.gz RAOKUTDPZBPRHB-MRXNPFEDSA-N 0 0 346.383 2.571 10 5 EFBERN CC(C)(COC(=O)C(C)(C)c1cccc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000870467944 1305339390 /nfs/dbraw/zinc/33/93/90/1305339390.db2.gz MKQFRPAUANWKEB-UHFFFAOYSA-N 0 0 334.294 2.977 10 5 EFBERN O=C(OCCOC(F)(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000870491743 1305355974 /nfs/dbraw/zinc/35/59/74/1305355974.db2.gz OZUJYAGVBFQCLP-UHFFFAOYSA-N 0 0 345.176 2.889 10 5 EFBERN CCC(=O)c1ccc(N(C)Cc2cnc(N(C)C)nc2)c([N+](=O)[O-])c1 ZINC000795124932 1305392926 /nfs/dbraw/zinc/39/29/26/1305392926.db2.gz HTVDVFWGEGTOTF-UHFFFAOYSA-N 0 0 343.387 2.680 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC(O)(c3ccc(Cl)cc3)C2)n1 ZINC000795138794 1305428390 /nfs/dbraw/zinc/42/83/90/1305428390.db2.gz DHVKSKVCVMANMX-UHFFFAOYSA-N 0 0 333.775 2.968 10 5 EFBERN COc1cc(N2CC(O)(c3ccc(F)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000795137494 1305463825 /nfs/dbraw/zinc/46/38/25/1305463825.db2.gz PHJVJWOFEGLWTM-UHFFFAOYSA-N 0 0 336.294 2.589 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000870646448 1305465120 /nfs/dbraw/zinc/46/51/20/1305465120.db2.gz YDORFAQFCQQACD-PLSXKVAHSA-N 0 0 340.326 2.881 10 5 EFBERN C/C(=C\C(=O)N1CCO[C@H](C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000870646045 1305465444 /nfs/dbraw/zinc/46/54/44/1305465444.db2.gz QDDABPXDKHRSLO-VNDWYCCKSA-N 0 0 340.326 2.881 10 5 EFBERN CO[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000870714798 1305523920 /nfs/dbraw/zinc/52/39/20/1305523920.db2.gz KKBXPRFGSCYOSD-MFKMUULPSA-N 0 0 326.780 2.817 10 5 EFBERN CO[C@H]1CC[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000870714787 1305523705 /nfs/dbraw/zinc/52/37/05/1305523705.db2.gz KKBXPRFGSCYOSD-GWCFXTLKSA-N 0 0 326.780 2.817 10 5 EFBERN CO[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000870714793 1305523770 /nfs/dbraw/zinc/52/37/70/1305523770.db2.gz KKBXPRFGSCYOSD-GXFFZTMASA-N 0 0 326.780 2.817 10 5 EFBERN COC(=O)C12CCC(CC1)N2C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000870735079 1305542716 /nfs/dbraw/zinc/54/27/16/1305542716.db2.gz LHRDGXJHSDIPPE-VAWYXSNFSA-N 0 0 344.367 2.695 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)OCc1ccc(CC(F)(F)F)cc1 ZINC000870805752 1305596000 /nfs/dbraw/zinc/59/60/00/1305596000.db2.gz LXPJMPNSVJRJKJ-UHFFFAOYSA-N 0 0 343.261 2.640 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@H]1C[C@H](OCC(F)(F)F)C1 ZINC000870817807 1305603319 /nfs/dbraw/zinc/60/33/19/1305603319.db2.gz IUXGCVLHGULLAF-HAQNSBGRSA-N 0 0 333.262 2.790 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1C[C@H](OCC(F)(F)F)C1 ZINC000870823228 1305606504 /nfs/dbraw/zinc/60/65/04/1305606504.db2.gz KBLLTIKFYJUOMM-MGCOHNPYSA-N 0 0 349.261 2.870 10 5 EFBERN Cc1ccc(OCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1C ZINC000870826559 1305608670 /nfs/dbraw/zinc/60/86/70/1305608670.db2.gz FZAJULFCBVMDPL-UHFFFAOYSA-N 0 0 345.355 2.734 10 5 EFBERN CCc1cccc(OCC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870826995 1305608935 /nfs/dbraw/zinc/60/89/35/1305608935.db2.gz ROAFQSIPOBRUHC-UHFFFAOYSA-N 0 0 345.355 2.679 10 5 EFBERN COc1ccc(/C=C/C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870826721 1305609639 /nfs/dbraw/zinc/60/96/39/1305609639.db2.gz LMZUGBLCQHVWAC-QPJJXVBHSA-N 0 0 343.339 2.760 10 5 EFBERN COc1ccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000870827604 1305610194 /nfs/dbraw/zinc/61/01/94/1305610194.db2.gz BTGZUHKUAMRWFQ-UHFFFAOYSA-N 0 0 331.328 2.669 10 5 EFBERN C[C@H](Oc1cccc(F)c1)C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829390 1305611670 /nfs/dbraw/zinc/61/16/70/1305611670.db2.gz KLDYIRCSDZLTQC-VLRKGOCCSA-N 0 0 349.318 2.645 10 5 EFBERN Cc1ccc(O[C@H](C)C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000870829396 1305612043 /nfs/dbraw/zinc/61/20/43/1305612043.db2.gz KNFJXCFDPNUXIK-VEAWUBTESA-N 0 0 345.355 2.814 10 5 EFBERN C[C@@H]1CCCC[C@@H]1OCC(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870829575 1305612156 /nfs/dbraw/zinc/61/21/56/1305612156.db2.gz NHVCPEZIYMNLFV-DGLGBPBLSA-N 0 0 337.376 2.633 10 5 EFBERN COCc1sccc1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870831539 1305612990 /nfs/dbraw/zinc/61/29/90/1305612990.db2.gz WDIPTSIOBRXWCL-UHFFFAOYSA-N 0 0 337.357 2.560 10 5 EFBERN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000870831163 1305613860 /nfs/dbraw/zinc/61/38/60/1305613860.db2.gz QABRVYXVWLRMPG-AXAJEFMBSA-N 0 0 339.351 2.624 10 5 EFBERN O=C(NCC[C@@H]1CCCS1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000871033586 1305756855 /nfs/dbraw/zinc/75/68/55/1305756855.db2.gz CMQXWKKHXKSADO-VIFPVBQESA-N 0 0 338.414 2.615 10 5 EFBERN O=C(NCC[C@H]1CCCS1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000871039280 1305760540 /nfs/dbraw/zinc/76/05/40/1305760540.db2.gz YOCRVWSVFFWJDQ-CYBMUJFWSA-N 0 0 346.412 2.796 10 5 EFBERN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC000871047823 1305766367 /nfs/dbraw/zinc/76/63/67/1305766367.db2.gz HTLHTESRXNEYRM-QWHCGFSZSA-N 0 0 345.428 2.580 10 5 EFBERN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC000871047825 1305766608 /nfs/dbraw/zinc/76/66/08/1305766608.db2.gz HTLHTESRXNEYRM-STQMWFEESA-N 0 0 345.428 2.580 10 5 EFBERN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](OC)CC[C@@H]1C ZINC000871062869 1305779510 /nfs/dbraw/zinc/77/95/10/1305779510.db2.gz RONCGXWTPWCYJF-SWLSCSKDSA-N 0 0 345.403 2.877 10 5 EFBERN Cc1ccc(C[C@@]2(C)CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000871079030 1305793877 /nfs/dbraw/zinc/79/38/77/1305793877.db2.gz BKDQMZCFNOAMPJ-QGZVFWFLSA-N 0 0 328.372 2.864 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NOCCCC(F)(F)F ZINC000871215752 1305899818 /nfs/dbraw/zinc/89/98/18/1305899818.db2.gz GDNMKWISQHTZGK-UHFFFAOYSA-N 0 0 342.220 2.806 10 5 EFBERN CNc1ccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000871284973 1305957554 /nfs/dbraw/zinc/95/75/54/1305957554.db2.gz DIGQXLHLDNJMKO-BBRMVZONSA-N 0 0 333.388 2.572 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000871298601 1305972652 /nfs/dbraw/zinc/97/26/52/1305972652.db2.gz OEJIKNJWRAWXEU-MAUKXSAKSA-N 0 0 332.400 2.849 10 5 EFBERN COc1c(C(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000871308010 1305983229 /nfs/dbraw/zinc/98/32/29/1305983229.db2.gz RXXQGNOETPVBED-WFASDCNBSA-N 0 0 334.372 2.538 10 5 EFBERN CNc1nccc(C(=O)N2CCC[C@@H](OC3CCC3)CC2)c1[N+](=O)[O-] ZINC000871326440 1305996091 /nfs/dbraw/zinc/99/60/91/1305996091.db2.gz PGUHLFQWDTZCRL-CYBMUJFWSA-N 0 0 348.403 2.595 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871334233 1306000668 /nfs/dbraw/zinc/00/06/68/1306000668.db2.gz OZRBBGQQXDJKRB-HNNXBMFYSA-N 0 0 347.415 2.957 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)c2ccc(F)cc2N1 ZINC000748815389 1314135481 /nfs/dbraw/zinc/13/54/81/1314135481.db2.gz DRACZBFTUVNVJJ-OAHLLOKOSA-N 0 0 331.303 2.987 10 5 EFBERN CC(=O)CCC(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000800387568 1307780974 /nfs/dbraw/zinc/78/09/74/1307780974.db2.gz SIGHTPXVICKMPZ-UHFFFAOYSA-N 0 0 349.261 2.905 10 5 EFBERN COc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000800591595 1308150577 /nfs/dbraw/zinc/15/05/77/1308150577.db2.gz MPRJUBOOOSLWMJ-UHFFFAOYSA-N 0 0 331.328 2.755 10 5 EFBERN Cc1c(NC(=O)C(=O)N[C@@H]2CC3CCC2CC3)c(F)ccc1[N+](=O)[O-] ZINC000800617677 1308169975 /nfs/dbraw/zinc/16/99/75/1308169975.db2.gz OWEPYTRRDOCYTP-GCZXYKMCSA-N 0 0 349.362 2.676 10 5 EFBERN CC(C)(C)N1CCC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000900771964 1308660353 /nfs/dbraw/zinc/66/03/53/1308660353.db2.gz VZDRXEFOIBXJQU-CYBMUJFWSA-N 0 0 345.399 2.521 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C(F)(F)F ZINC000800999068 1308804669 /nfs/dbraw/zinc/80/46/69/1308804669.db2.gz QIOWYYHJVTZIJV-UHFFFAOYSA-N 0 0 333.310 2.979 10 5 EFBERN C/C(=C\C(=O)N[C@@H]1CCCc2nn(C)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000801098781 1309104888 /nfs/dbraw/zinc/10/48/88/1309104888.db2.gz WUEJYAJKFPWHTN-YBHKSSGVSA-N 0 0 340.383 2.925 10 5 EFBERN COCCO[C@H]1CCCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000801168106 1309300583 /nfs/dbraw/zinc/30/05/83/1309300583.db2.gz MBACASUHKKLIKG-AINHQSCGSA-N 0 0 348.399 2.652 10 5 EFBERN COCCO[C@H]1CCCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000801169165 1309305926 /nfs/dbraw/zinc/30/59/26/1309305926.db2.gz ONLFLLIFFGPLGN-VSOYFRJCSA-N 0 0 348.399 2.652 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901241223 1309951843 /nfs/dbraw/zinc/95/18/43/1309951843.db2.gz UKZKKTXBIYYPIB-MRVPVSSYSA-N 0 0 346.742 2.849 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H]2C[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000801480749 1310303778 /nfs/dbraw/zinc/30/37/78/1310303778.db2.gz WHIXMEHNTBOPQT-UTLUCORTSA-N 0 0 342.298 2.675 10 5 EFBERN CCOC(=O)Cc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901397908 1310340513 /nfs/dbraw/zinc/34/05/13/1310340513.db2.gz HBBYEJQJMOSANI-UHFFFAOYSA-N 0 0 345.355 2.956 10 5 EFBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000801554948 1310517658 /nfs/dbraw/zinc/51/76/58/1310517658.db2.gz BEUDPDUNDJVEBR-OAHLLOKOSA-N 0 0 345.330 2.742 10 5 EFBERN CCOc1cccc(CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000801567191 1310537339 /nfs/dbraw/zinc/53/73/39/1310537339.db2.gz IMFMWMJSTVBWKV-UHFFFAOYSA-N 0 0 343.383 2.632 10 5 EFBERN CC1(C)SC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000801757224 1310867944 /nfs/dbraw/zinc/86/79/44/1310867944.db2.gz MNBAYHRHWLOFSV-LLVKDONJSA-N 0 0 329.809 2.941 10 5 EFBERN CC1(C)SC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000801777827 1310895964 /nfs/dbraw/zinc/89/59/64/1310895964.db2.gz BDYOVZJGFPLJOJ-LLVKDONJSA-N 0 0 332.784 2.940 10 5 EFBERN CCC[C@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OCC ZINC000801834540 1311007623 /nfs/dbraw/zinc/00/76/23/1311007623.db2.gz RMDDCMUTMQOJFB-AWEZNQCLSA-N 0 0 334.328 2.965 10 5 EFBERN O=C(Nc1cc(Cl)[nH]n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000749392941 1311028641 /nfs/dbraw/zinc/02/86/41/1311028641.db2.gz OFSMZCXYFXRCFG-UHFFFAOYSA-N 0 0 335.751 2.824 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000801869281 1311037747 /nfs/dbraw/zinc/03/77/47/1311037747.db2.gz ZIIVJSFWVGQYNG-UHFFFAOYSA-N 0 0 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COc1cc([N+](=O)[O-])cnc1NC(=O)Cn1c(C)cc2ccccc21 ZINC001288214048 1321618299 /nfs/dbraw/zinc/61/82/99/1321618299.db2.gz ZBZXNZQOGMFQSH-UHFFFAOYSA-N 0 0 340.339 2.900 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cccnc1C(F)(F)F ZINC001288215696 1321619135 /nfs/dbraw/zinc/61/91/35/1321619135.db2.gz FMWBINSLTWZAGM-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN COCc1ccc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1F ZINC001288215697 1321619211 /nfs/dbraw/zinc/61/92/11/1321619211.db2.gz FMXJYUWPTLUAKZ-UHFFFAOYSA-N 0 0 335.291 2.536 10 5 EFBERN CCCn1ncc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)c1C1CC1 ZINC001288216208 1321620245 /nfs/dbraw/zinc/62/02/45/1321620245.db2.gz OXVGFZROQLWHLN-UHFFFAOYSA-N 0 0 345.359 2.735 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001288318590 1321641281 /nfs/dbraw/zinc/64/12/81/1321641281.db2.gz RTUIHOSEJQKVEI-UHFFFAOYSA-N 0 0 349.368 2.981 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001288405335 1321661026 /nfs/dbraw/zinc/66/10/26/1321661026.db2.gz RQVUDYCIZNEIBO-WMLDXEAASA-N 0 0 331.372 2.640 10 5 EFBERN Cc1c(C(=O)NC[C@]2(C)CC2(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001288404859 1321661317 /nfs/dbraw/zinc/66/13/17/1321661317.db2.gz PCZJHBCZZRZERZ-KRWDZBQOSA-N 0 0 343.387 2.650 10 5 EFBERN COc1ccc(C(=O)NCc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC001288534961 1321704843 /nfs/dbraw/zinc/70/48/43/1321704843.db2.gz HBOUYAZFQIJQID-UHFFFAOYSA-N 0 0 327.749 2.643 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)c1[N+](=O)[O-] ZINC001288608350 1321719364 /nfs/dbraw/zinc/71/93/64/1321719364.db2.gz ODKZJRJKAPHDEE-UHFFFAOYSA-N 0 0 345.286 2.819 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N=[S@@]1(=O)CCc2ccccc21 ZINC001289030219 1321798380 /nfs/dbraw/zinc/79/83/80/1321798380.db2.gz VPKKCMXYCMCLJF-HSZRJFAPSA-N 0 0 330.365 2.747 10 5 EFBERN CC(C)[S@@](C)(=O)=NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001289098681 1321799560 /nfs/dbraw/zinc/79/95/60/1321799560.db2.gz BYZCVTYSIWMYIK-HSZRJFAPSA-N 0 0 335.385 2.977 10 5 EFBERN CC(C)[S@](C)(=O)=NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001289098683 1321800296 /nfs/dbraw/zinc/80/02/96/1321800296.db2.gz BYZCVTYSIWMYIK-QHCPKHFHSA-N 0 0 335.385 2.977 10 5 EFBERN NC1=CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001289122234 1321800684 /nfs/dbraw/zinc/80/06/84/1321800684.db2.gz HWDNQCQWEWZMJY-UHFFFAOYSA-N 0 0 342.380 2.507 10 5 EFBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C)c1OC ZINC001289167345 1321801474 /nfs/dbraw/zinc/80/14/74/1321801474.db2.gz SGFDDYYUNSQMNN-UHFFFAOYSA-N 0 0 345.355 2.554 10 5 EFBERN CCOc1ccc(C(=O)N2CCN(C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001289202937 1321802700 /nfs/dbraw/zinc/80/27/00/1321802700.db2.gz BWJFAQVGOQLUGG-OAHLLOKOSA-N 0 0 349.431 2.796 10 5 EFBERN C/C(=C/C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccs1 ZINC001289258464 1321809454 /nfs/dbraw/zinc/80/94/54/1321809454.db2.gz RGUYDJNKFJMZKU-CLFYSBASSA-N 0 0 331.353 2.797 10 5 EFBERN NC(=O)c1cc(NC(=O)/C=C/SCc2ccco2)ccc1[N+](=O)[O-] ZINC001289256728 1321809620 /nfs/dbraw/zinc/80/96/20/1321809620.db2.gz YZMQSCRFFOJKDW-FNORWQNLSA-N 0 0 347.352 2.672 10 5 EFBERN NC(=O)c1cc(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC001289257599 1321809983 /nfs/dbraw/zinc/80/99/83/1321809983.db2.gz CBACLHGMMLSPNK-GFCCVEGCSA-N 0 0 345.742 2.626 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC001289464760 1321818250 /nfs/dbraw/zinc/81/82/50/1321818250.db2.gz VQIGGHNQRHMEJE-UHFFFAOYSA-N 0 0 331.328 2.822 10 5 EFBERN CCc1noc([C@@H]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC001289489941 1321818474 /nfs/dbraw/zinc/81/84/74/1321818474.db2.gz DNUWYDLSYUAENA-NEPJUHHUSA-N 0 0 330.344 2.606 10 5 EFBERN COc1ccc(CSCC(=O)Nc2cncnc2C)cc1[N+](=O)[O-] ZINC001289526200 1321819475 /nfs/dbraw/zinc/81/94/75/1321819475.db2.gz XZZWSSQPHDBKNG-UHFFFAOYSA-N 0 0 348.384 2.574 10 5 EFBERN CC(C)(C)c1coc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC001289649659 1321822216 /nfs/dbraw/zinc/82/22/16/1321822216.db2.gz BJJPVHGGTMSKHE-UHFFFAOYSA-N 0 0 346.387 2.999 10 5 EFBERN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001289785550 1321827637 /nfs/dbraw/zinc/82/76/37/1321827637.db2.gz WQYCBDVMHCFZKO-OAHLLOKOSA-N 0 0 339.351 2.992 10 5 EFBERN O=C(NCc1ccncc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001290089655 1321876628 /nfs/dbraw/zinc/87/66/28/1321876628.db2.gz IZKPZHRRPWJQQE-UHFFFAOYSA-N 0 0 325.246 2.939 10 5 EFBERN COc1ccc(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001290097537 1321877024 /nfs/dbraw/zinc/87/70/24/1321877024.db2.gz FOSMGWPPECYEFI-UHFFFAOYSA-N 0 0 332.331 2.644 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCc1ccco1 ZINC001290108847 1321878473 /nfs/dbraw/zinc/87/84/73/1321878473.db2.gz XHQNJQDKONVFRH-UHFFFAOYSA-N 0 0 339.145 2.809 10 5 EFBERN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001290334782 1321899227 /nfs/dbraw/zinc/89/92/27/1321899227.db2.gz OPYSTFYGARPAPN-OLZOCXBDSA-N 0 0 338.323 2.919 10 5 EFBERN Nc1ncc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC001290352106 1321900576 /nfs/dbraw/zinc/90/05/76/1321900576.db2.gz DYQSABALEPJMLD-UHFFFAOYSA-N 0 0 342.330 2.641 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccn2nccc2n1 ZINC001290651031 1321939790 /nfs/dbraw/zinc/93/97/90/1321939790.db2.gz LWMOOFIYXKDIBO-UHFFFAOYSA-N 0 0 345.746 2.563 10 5 EFBERN Cc1cccc(C)c1OCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001290976724 1321973825 /nfs/dbraw/zinc/97/38/25/1321973825.db2.gz HQXZJBHWZFYWRZ-UHFFFAOYSA-N 0 0 329.356 2.603 10 5 EFBERN C[C@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C)C1 ZINC001291214952 1321978052 /nfs/dbraw/zinc/97/80/52/1321978052.db2.gz HAAOERRDJUAXFA-ZOWXZIJZSA-N 0 0 343.387 2.659 10 5 EFBERN C[C@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C)C1 ZINC001291214951 1321978102 /nfs/dbraw/zinc/97/81/02/1321978102.db2.gz HAAOERRDJUAXFA-YWPYICTPSA-N 0 0 343.387 2.659 10 5 EFBERN Cc1cc(OC(C)C)ccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001291787896 1322011819 /nfs/dbraw/zinc/01/18/19/1322011819.db2.gz GJZSPFVGOUTBFJ-UHFFFAOYSA-N 0 0 330.344 2.920 10 5 EFBERN COc1ccc(CNC(=O)c2nc3cnccc3s2)cc1[N+](=O)[O-] ZINC001291857129 1322020215 /nfs/dbraw/zinc/02/02/15/1322020215.db2.gz CUGULTHJJQHQAV-UHFFFAOYSA-N 0 0 344.352 2.538 10 5 EFBERN CN(CCc1ccncc1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001292012922 1322030060 /nfs/dbraw/zinc/03/00/60/1322030060.db2.gz GTUDLWJXEZVYEI-UHFFFAOYSA-N 0 0 334.763 2.540 10 5 EFBERN CC(C)Oc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c(F)c1 ZINC001292330822 1322055265 /nfs/dbraw/zinc/05/52/65/1322055265.db2.gz REXVQPMYMAGHIP-UHFFFAOYSA-N 0 0 334.307 2.751 10 5 EFBERN COc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3N)CC2)cc1 ZINC001292871819 1322140647 /nfs/dbraw/zinc/14/06/47/1322140647.db2.gz MMYCFPOWSSDEEH-UHFFFAOYSA-N 0 0 327.340 2.605 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H](C)c2cnccn2)c([N+](=O)[O-])c1 ZINC001307153821 1322149734 /nfs/dbraw/zinc/14/97/34/1322149734.db2.gz NPOIYUKJRSKYAD-VLWUPBBWSA-N 0 0 328.328 2.744 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H](C)c2cnccn2)c([N+](=O)[O-])c1 ZINC001307153819 1322149973 /nfs/dbraw/zinc/14/99/73/1322149973.db2.gz NPOIYUKJRSKYAD-DUMNWFOQSA-N 0 0 328.328 2.744 10 5 EFBERN COc1cc(C(=O)NCCCNc2ccccc2)c([N+](=O)[O-])cc1F ZINC001293000383 1322169510 /nfs/dbraw/zinc/16/95/10/1322169510.db2.gz GVGFRQLJJKBZGW-UHFFFAOYSA-N 0 0 347.346 2.975 10 5 EFBERN C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001293165329 1322201591 /nfs/dbraw/zinc/20/15/91/1322201591.db2.gz PAWOXGYBTLPFMX-XVKPBYJWSA-N 0 0 342.193 2.858 10 5 EFBERN O=C(NCCc1cc2ccccc2o1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001293716887 1322334357 /nfs/dbraw/zinc/33/43/57/1322334357.db2.gz CSKFKCIAALYHBV-QGZVFWFLSA-N 0 0 340.335 2.733 10 5 EFBERN CCc1nc2c(nccc2C(=O)N2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC001293831857 1322365066 /nfs/dbraw/zinc/36/50/66/1322365066.db2.gz RVJTVGFGEOPOSU-UHFFFAOYSA-N 0 0 337.339 2.631 10 5 EFBERN O=C(NCCc1nc2cc(F)ccc2[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC001293999502 1322392042 /nfs/dbraw/zinc/39/20/42/1322392042.db2.gz DBVIYVZVBRPCDN-UHFFFAOYSA-N 0 0 346.293 2.722 10 5 EFBERN O=C(N1CC[C@@H]2[C@H](C1)C2(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001294144843 1322417314 /nfs/dbraw/zinc/41/73/14/1322417314.db2.gz CWJNXIBXRPZMHF-MNOVXSKESA-N 0 0 332.253 2.800 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001294243741 1322437945 /nfs/dbraw/zinc/43/79/45/1322437945.db2.gz NIAZZFVQUFRELV-UHFFFAOYSA-N 0 0 346.412 2.785 10 5 EFBERN C[C@H](O)c1ccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC001294265646 1322441711 /nfs/dbraw/zinc/44/17/11/1322441711.db2.gz PKSXDYKFHPVWKZ-VIFPVBQESA-N 0 0 349.774 2.814 10 5 EFBERN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Oc1ccccc1F ZINC001294377901 1322468320 /nfs/dbraw/zinc/46/83/20/1322468320.db2.gz MDTWQEVZPPVIKJ-LBPRGKRZSA-N 0 0 347.346 2.904 10 5 EFBERN O=C(c1c2nc[nH]c2ccc1F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294549805 1322511845 /nfs/dbraw/zinc/51/18/45/1322511845.db2.gz CGTLYJYKCAAPRE-UHFFFAOYSA-N 0 0 340.314 2.809 10 5 EFBERN O=C(N[C@@H]1CCCc2c[nH]nc21)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001294644375 1322539977 /nfs/dbraw/zinc/53/99/77/1322539977.db2.gz VZIXFTLVZSZWAS-SNVBAGLBSA-N 0 0 338.726 2.918 10 5 EFBERN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001294745869 1322552358 /nfs/dbraw/zinc/55/23/58/1322552358.db2.gz OHOXNBGZJHHOLP-HNNXBMFYSA-N 0 0 327.340 2.603 10 5 EFBERN O=C(Nc1ccc(OCCO)cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001294861047 1322583071 /nfs/dbraw/zinc/58/30/71/1322583071.db2.gz YQHFTNZLQNKQQO-DLBZAZTESA-N 0 0 342.351 2.708 10 5 EFBERN CCC[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001295084340 1322631487 /nfs/dbraw/zinc/63/14/87/1322631487.db2.gz HRJHJQIXSXDSEN-LBPRGKRZSA-N 0 0 326.780 2.818 10 5 EFBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CCCO1 ZINC001295096165 1322633098 /nfs/dbraw/zinc/63/30/98/1322633098.db2.gz FSSYEVYWRHNJNX-QGZVFWFLSA-N 0 0 345.403 2.879 10 5 EFBERN C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC001295252884 1322664345 /nfs/dbraw/zinc/66/43/45/1322664345.db2.gz CSIUUNOYWIZQTE-BJOHPYRUSA-N 0 0 336.294 2.784 10 5 EFBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)CC ZINC001295428728 1322698461 /nfs/dbraw/zinc/69/84/61/1322698461.db2.gz GAFCMJQVAPLIOL-KRWDZBQOSA-N 0 0 347.419 2.861 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001295526775 1322718258 /nfs/dbraw/zinc/71/82/58/1322718258.db2.gz UORFIRZDCWCZLK-UHFFFAOYSA-N 0 0 344.342 2.838 10 5 EFBERN Nc1c(C(=O)NCCCCCCO)cc2ccccc2c1[N+](=O)[O-] ZINC001295590556 1322730124 /nfs/dbraw/zinc/73/01/24/1322730124.db2.gz OUHXXLGIWLXUAY-UHFFFAOYSA-N 0 0 331.372 2.613 10 5 EFBERN C[C@H](c1ccccc1)N(CCO)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001295715024 1322757456 /nfs/dbraw/zinc/75/74/56/1322757456.db2.gz APGIYZWMOMGIFG-CQSZACIVSA-N 0 0 344.367 2.556 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCc2ccc(Cl)cc2C1 ZINC001295862877 1322795775 /nfs/dbraw/zinc/79/57/75/1322795775.db2.gz RSPVYDMXENCOOK-UHFFFAOYSA-N 0 0 341.154 2.823 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001319992331 1329051555 /nfs/dbraw/zinc/05/15/55/1329051555.db2.gz HEKCFFFSCVHQQF-JTQLQIEISA-N 0 0 338.360 2.914 10 5 EFBERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001296067837 1322848076 /nfs/dbraw/zinc/84/80/76/1322848076.db2.gz HJNBBNPERUJHIX-MRXNPFEDSA-N 0 0 330.315 2.664 10 5 EFBERN CCC1(CC)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCS1 ZINC001296113473 1322854447 /nfs/dbraw/zinc/85/44/47/1322854447.db2.gz MYLDINSEDIZSMT-UHFFFAOYSA-N 0 0 332.813 2.719 10 5 EFBERN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001296158422 1322860474 /nfs/dbraw/zinc/86/04/74/1322860474.db2.gz SXUNVEZKRPCJTM-WPRPVWTQSA-N 0 0 335.751 2.590 10 5 EFBERN Cc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1Br ZINC001296765133 1323007615 /nfs/dbraw/zinc/00/76/15/1323007615.db2.gz HKYDTNFONZMOOI-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cccc(N)n2)cc1C ZINC001307218983 1323027908 /nfs/dbraw/zinc/02/79/08/1323027908.db2.gz RHKLGTZUQKSHDA-UHFFFAOYSA-N 0 0 330.344 2.669 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(C=O)c1 ZINC001296876526 1323043485 /nfs/dbraw/zinc/04/34/85/1323043485.db2.gz OLXBWKGNUYCNOV-UHFFFAOYSA-N 0 0 330.315 2.861 10 5 EFBERN O=C(N[C@@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC001296892710 1323049378 /nfs/dbraw/zinc/04/93/78/1323049378.db2.gz QWXJJKJPCWZOMZ-LLVKDONJSA-N 0 0 326.780 2.919 10 5 EFBERN Cc1cc(C)cc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001296933328 1323061381 /nfs/dbraw/zinc/06/13/81/1323061381.db2.gz SCBTXEGLJFACTF-MRXNPFEDSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc3c(c2)CC(=O)N3)c1C ZINC001297251057 1323136305 /nfs/dbraw/zinc/13/63/05/1323136305.db2.gz RGKIFRGNAMNBGN-UHFFFAOYSA-N 0 0 326.308 2.925 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)c2cccc3c2CCCN3)n1 ZINC001297303648 1323155418 /nfs/dbraw/zinc/15/54/18/1323155418.db2.gz ZOJURBQBNSVFDG-UHFFFAOYSA-N 0 0 326.356 2.933 10 5 EFBERN CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC001297450231 1323221557 /nfs/dbraw/zinc/22/15/57/1323221557.db2.gz DSKLJZORHJUYNA-BDAKNGLRSA-N 0 0 335.339 2.857 10 5 EFBERN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC001297450239 1323221617 /nfs/dbraw/zinc/22/16/17/1323221617.db2.gz DSKLJZORHJUYNA-RKDXNWHRSA-N 0 0 335.339 2.857 10 5 EFBERN Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1C1CC1 ZINC001297682231 1323317020 /nfs/dbraw/zinc/31/70/20/1323317020.db2.gz CTJBOWSNLDNCGL-UONOGXRCSA-N 0 0 327.344 2.572 10 5 EFBERN Cc1nc2c(cccc2NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC001297833458 1323355096 /nfs/dbraw/zinc/35/50/96/1323355096.db2.gz TVHGJRTUOUNCKH-OAHLLOKOSA-N 0 0 327.296 2.717 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(C(F)(F)F)c1 ZINC001298123337 1323440127 /nfs/dbraw/zinc/44/01/27/1323440127.db2.gz PBYVWCAOUGXOCS-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](CO)c1ccccc1 ZINC001298373294 1323508042 /nfs/dbraw/zinc/50/80/42/1323508042.db2.gz NJSHTZCLUNBINT-MRXNPFEDSA-N 0 0 339.351 2.882 10 5 EFBERN COc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1Cl ZINC001298385645 1323508873 /nfs/dbraw/zinc/50/88/73/1323508873.db2.gz RZGBKDSUVATJHF-UHFFFAOYSA-N 0 0 349.774 2.812 10 5 EFBERN COc1cc(C(=O)N2CCC=C(c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC001298438017 1323528885 /nfs/dbraw/zinc/52/88/85/1323528885.db2.gz OESNYOFDGZQFJG-UHFFFAOYSA-N 0 0 339.351 2.928 10 5 EFBERN Nc1ncc(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001298514235 1323557272 /nfs/dbraw/zinc/55/72/72/1323557272.db2.gz WLCMUTDTKPRBPS-UKRRQHHQSA-N 0 0 340.383 2.886 10 5 EFBERN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298611026 1323575223 /nfs/dbraw/zinc/57/52/23/1323575223.db2.gz YBKFRRNCWFKYBY-VIFPVBQESA-N 0 0 336.735 2.728 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](CO)C1CCCCC1 ZINC001298615510 1323576250 /nfs/dbraw/zinc/57/62/50/1323576250.db2.gz DWYIGEPPHNKKHF-CYBMUJFWSA-N 0 0 338.379 2.961 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC001298702099 1323592222 /nfs/dbraw/zinc/59/22/22/1323592222.db2.gz ARJZOIHONZGEOR-UHFFFAOYSA-N 0 0 349.350 2.519 10 5 EFBERN CC(C)[C@@]1(CO)CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001298715643 1323595295 /nfs/dbraw/zinc/59/52/95/1323595295.db2.gz XXVQGXDIMXOSKB-INIZCTEOSA-N 0 0 340.807 2.658 10 5 EFBERN CCOC(=O)C(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC001298823872 1323615746 /nfs/dbraw/zinc/61/57/46/1323615746.db2.gz IWNYVODLBGGRSH-UHFFFAOYSA-N 0 0 338.360 2.911 10 5 EFBERN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001298830990 1323618157 /nfs/dbraw/zinc/61/81/57/1323618157.db2.gz IPJVEWQGTJQTQD-QFYYESIMSA-N 0 0 330.315 2.915 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCc2[nH]cnc2C1 ZINC001298841292 1323619381 /nfs/dbraw/zinc/61/93/81/1323619381.db2.gz NDMIQBNZAUFVOC-JTQLQIEISA-N 0 0 348.790 2.578 10 5 EFBERN Cc1nc(-c2ccnc(NC(=O)c3ccc([N+](=O)[O-])cc3C)c2)n[nH]1 ZINC001299002937 1323662167 /nfs/dbraw/zinc/66/21/67/1323662167.db2.gz LNSOCTRRQAAKKZ-UHFFFAOYSA-N 0 0 338.327 2.644 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC001299858795 1323710105 /nfs/dbraw/zinc/71/01/05/1323710105.db2.gz MUEMGCQMHZPHON-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN COc1ccc(C(=O)N[C@@H](CCO)c2ccccc2F)cc1[N+](=O)[O-] ZINC001299854543 1323710191 /nfs/dbraw/zinc/71/01/91/1323710191.db2.gz DAEJYIADSRMPDC-AWEZNQCLSA-N 0 0 348.330 2.596 10 5 EFBERN O=C(Nc1ccc2nc(C(F)(F)F)oc2c1)c1n[nH]cc1[N+](=O)[O-] ZINC001299883681 1323711051 /nfs/dbraw/zinc/71/10/51/1323711051.db2.gz FKTZKCFXECXGQQ-UHFFFAOYSA-N 0 0 341.205 2.730 10 5 EFBERN O=C(C[C@H]1Cc2ccccc2O1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933045 1323713085 /nfs/dbraw/zinc/71/30/85/1323713085.db2.gz GRZRVMIISFENPB-GFCCVEGCSA-N 0 0 348.305 2.883 10 5 EFBERN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001299947952 1323714331 /nfs/dbraw/zinc/71/43/31/1323714331.db2.gz NUMRQPPFDZZDLI-IPYPFGDCSA-N 0 0 342.355 2.912 10 5 EFBERN CN(CCNC(=O)c1occ2c1CCC2)Cc1cccc([N+](=O)[O-])c1 ZINC001492358669 1324450741 /nfs/dbraw/zinc/45/07/41/1324450741.db2.gz AWZMVFZBHDJGIJ-UHFFFAOYSA-N 0 0 343.383 2.538 10 5 EFBERN C[C@@H]1CCC[C@@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)O1 ZINC001300961611 1324516153 /nfs/dbraw/zinc/51/61/53/1324516153.db2.gz ARKWFEOUFSNHLT-SCZZXKLOSA-N 0 0 327.768 2.518 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc[nH]n1 ZINC001301213046 1324529264 /nfs/dbraw/zinc/52/92/64/1324529264.db2.gz LCVABYUFXOOWLM-ZFWWWQNUSA-N 0 0 343.387 2.645 10 5 EFBERN COCCCn1c(C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001301627211 1324553654 /nfs/dbraw/zinc/55/36/54/1324553654.db2.gz DJXSCWXOEUEHIG-UHFFFAOYSA-N 0 0 345.403 2.700 10 5 EFBERN COCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1C ZINC001301683715 1324555745 /nfs/dbraw/zinc/55/57/45/1324555745.db2.gz FWEDPKWYRMLAHJ-BXUZGUMPSA-N 0 0 331.376 2.517 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN(C)c1ccccn1 ZINC001302974987 1324590275 /nfs/dbraw/zinc/59/02/75/1324590275.db2.gz MFPQQVQJAPZARR-UHFFFAOYSA-N 0 0 328.372 2.555 10 5 EFBERN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC[C@@H]1C=CCC1 ZINC001303273786 1324601307 /nfs/dbraw/zinc/60/13/07/1324601307.db2.gz ODFNHJTXVYEDPI-CYBMUJFWSA-N 0 0 346.387 2.579 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1(CCO)CCCCC1 ZINC001303313943 1324601704 /nfs/dbraw/zinc/60/17/04/1324601704.db2.gz KDPUOTRJGGQRAN-UHFFFAOYSA-N 0 0 340.807 2.992 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001303458039 1324605098 /nfs/dbraw/zinc/60/50/98/1324605098.db2.gz XWALVSSDBBVANB-UHFFFAOYSA-N 0 0 343.170 2.608 10 5 EFBERN CNc1ccc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)cc1[N+](=O)[O-] ZINC001303553993 1324610987 /nfs/dbraw/zinc/61/09/87/1324610987.db2.gz VUYIWIKMQODBRL-LRDDRELGSA-N 0 0 345.330 2.838 10 5 EFBERN COc1ccccc1-c1nc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cs1 ZINC001303573588 1324612890 /nfs/dbraw/zinc/61/28/90/1324612890.db2.gz SKKQYNXMOTZEQH-UHFFFAOYSA-N 0 0 345.340 2.702 10 5 EFBERN CC(C)[S@](C)(=O)=NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001303909717 1324626511 /nfs/dbraw/zinc/62/65/11/1324626511.db2.gz PGEVOWPTXBGJOF-QFIPXVFZSA-N 0 0 326.374 2.591 10 5 EFBERN C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)c1ccccc1[N+](=O)[O-] ZINC001304192669 1324644813 /nfs/dbraw/zinc/64/48/13/1324644813.db2.gz DTLZAUDMPSGMJZ-NSHDSACASA-N 0 0 341.367 2.718 10 5 EFBERN Cc1noc2ncc(C(=O)NC[C@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC001304193899 1324645091 /nfs/dbraw/zinc/64/50/91/1324645091.db2.gz ZVVWJPYKTQJKBN-JTQLQIEISA-N 0 0 340.339 2.973 10 5 EFBERN CC1(C)C[C@@H](O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2O1 ZINC001304256077 1324647231 /nfs/dbraw/zinc/64/72/31/1324647231.db2.gz LAVWQFNYNGCGDX-GFCCVEGCSA-N 0 0 331.328 2.770 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(OC(C)C)cn2)c(N)c1[N+](=O)[O-] ZINC001304500285 1324652240 /nfs/dbraw/zinc/65/22/40/1324652240.db2.gz JEXJPQUKEJXPNZ-UHFFFAOYSA-N 0 0 330.344 2.920 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2COc3cc(F)ccc3C2)c(N)c1[N+](=O)[O-] ZINC001304498003 1324652284 /nfs/dbraw/zinc/65/22/84/1324652284.db2.gz KQTGXVQEZAGRCX-NSHDSACASA-N 0 0 345.330 2.814 10 5 EFBERN Cc1ccc(NC(=O)c2cc3cc[nH]c(=O)c3s2)c(N)c1[N+](=O)[O-] ZINC001304499219 1324652725 /nfs/dbraw/zinc/65/27/25/1324652725.db2.gz XYZITAYJLWUADS-UHFFFAOYSA-N 0 0 344.352 2.641 10 5 EFBERN CC(C)(C)c1coc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC001304904563 1324667027 /nfs/dbraw/zinc/66/70/27/1324667027.db2.gz JXINGTAMMPOQFJ-UHFFFAOYSA-N 0 0 336.323 2.532 10 5 EFBERN O=C(NCC(F)(F)C1(O)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001305147665 1324673514 /nfs/dbraw/zinc/67/35/14/1324673514.db2.gz ZDIMIAQYIGWELE-UHFFFAOYSA-N 0 0 328.315 2.655 10 5 EFBERN Cc1cccnc1[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001305318888 1324680473 /nfs/dbraw/zinc/68/04/73/1324680473.db2.gz KWPTUFPUODYZRI-JTQLQIEISA-N 0 0 329.312 2.518 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001305370677 1324681545 /nfs/dbraw/zinc/68/15/45/1324681545.db2.gz MLAKCUBABAXXOJ-UHFFFAOYSA-N 0 0 340.343 2.615 10 5 EFBERN COC(=O)c1ccnc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001306585542 1324714178 /nfs/dbraw/zinc/71/41/78/1324714178.db2.gz LGVJRLQDSWMBOH-KBPBESRZSA-N 0 0 341.323 2.519 10 5 EFBERN COC(=O)c1ccnc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001306585543 1324714895 /nfs/dbraw/zinc/71/48/95/1324714895.db2.gz LGVJRLQDSWMBOH-KGLIPLIRSA-N 0 0 341.323 2.519 10 5 EFBERN O=C(NC[C@@H](O)c1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001306670821 1324717780 /nfs/dbraw/zinc/71/77/80/1324717780.db2.gz DOJLISVGACTGAK-CQSZACIVSA-N 0 0 338.722 2.851 10 5 EFBERN CCc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CCO2 ZINC001306824335 1324723247 /nfs/dbraw/zinc/72/32/47/1324723247.db2.gz WHWABEJFFLYPKT-CQSZACIVSA-N 0 0 343.339 2.511 10 5 EFBERN COC(=O)c1cc(CNc2ncc([N+](=O)[O-])cc2F)ccc1OC ZINC001306924931 1324731672 /nfs/dbraw/zinc/73/16/72/1324731672.db2.gz PSRUIRYNIRYJTP-UHFFFAOYSA-N 0 0 335.291 2.536 10 5 EFBERN CCOCCOC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001306934106 1324732787 /nfs/dbraw/zinc/73/27/87/1324732787.db2.gz FRCJAQWIBGFPEX-UHFFFAOYSA-N 0 0 329.784 2.665 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](c4ccncn4)C3)c21 ZINC001306937583 1324733696 /nfs/dbraw/zinc/73/36/96/1324733696.db2.gz PYUYDSUKHYQYPX-LBPRGKRZSA-N 0 0 336.355 2.712 10 5 EFBERN Cc1ccc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])cn1 ZINC001306934375 1324734238 /nfs/dbraw/zinc/73/42/38/1324734238.db2.gz QYACZFZIWYYRHF-UHFFFAOYSA-N 0 0 339.311 2.789 10 5 EFBERN COC(=O)CCCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001306947846 1324734614 /nfs/dbraw/zinc/73/46/14/1324734614.db2.gz WIJJMDSQWLPNPO-UHFFFAOYSA-N 0 0 337.763 2.974 10 5 EFBERN CO[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])C(F)(F)F ZINC001306965315 1324735415 /nfs/dbraw/zinc/73/54/15/1324735415.db2.gz UCBNARBIBZFUFR-LLVKDONJSA-N 0 0 333.241 2.693 10 5 EFBERN Cc1nc(N2CCC[C@@H](NC(=O)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001306977780 1324736616 /nfs/dbraw/zinc/73/66/16/1324736616.db2.gz GIOLJNXLGBHWDO-OAHLLOKOSA-N 0 0 340.383 2.697 10 5 EFBERN COC[C@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001306974624 1324737057 /nfs/dbraw/zinc/73/70/57/1324737057.db2.gz MIHOSITVIKXLRS-JTQLQIEISA-N 0 0 332.316 2.524 10 5 EFBERN C[C@@H](O)C[C@@H]1CCCN1c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307073712 1324739738 /nfs/dbraw/zinc/73/97/38/1324739738.db2.gz ZTPVASOKIMOQLP-MNOVXSKESA-N 0 0 346.343 2.791 10 5 EFBERN C[C@@H](O)C[C@H]1CCCN1c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307073709 1324739898 /nfs/dbraw/zinc/73/98/98/1324739898.db2.gz ZTPVASOKIMOQLP-GHMZBOCLSA-N 0 0 346.343 2.791 10 5 EFBERN COc1cccc(Cl)c1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307095831 1324741075 /nfs/dbraw/zinc/74/10/75/1324741075.db2.gz KCUGADKAAQNORH-UHFFFAOYSA-N 0 0 335.747 2.968 10 5 EFBERN O=[N+]([O-])c1ccc(Oc2c(Cl)cncc2[N+](=O)[O-])cc1CO ZINC001307095020 1324741467 /nfs/dbraw/zinc/74/14/67/1324741467.db2.gz CLXQUEIPUWJREM-UHFFFAOYSA-N 0 0 325.664 2.836 10 5 EFBERN Nc1nc(Cl)c(N)c(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001307123256 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Cc1cc(F)cc(C(=O)Nc2cncc(OC(C)C)n2)c1[N+](=O)[O-] ZINC000847139358 1333349196 /nfs/dbraw/zinc/34/91/96/1333349196.db2.gz AMYVVYOVLDGWEV-UHFFFAOYSA-N 0 0 334.307 2.872 10 5 EFBERN O=C(OCCc1ccncn1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001352019234 1333355180 /nfs/dbraw/zinc/35/51/80/1333355180.db2.gz CLRUWZOIBWBEHA-UHFFFAOYSA-N 0 0 327.340 2.592 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cccnc21 ZINC000847147884 1333355789 /nfs/dbraw/zinc/35/57/89/1333355789.db2.gz LZFYKYDMZBUTOF-UHFFFAOYSA-N 0 0 326.356 2.649 10 5 EFBERN Cc1cc(Cl)c(C(=O)Nc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC001352030006 1333359443 /nfs/dbraw/zinc/35/94/43/1333359443.db2.gz XGYATUFRYRZGNM-UHFFFAOYSA-N 0 0 347.758 2.837 10 5 EFBERN C/C(=C/C(=O)N(C)[C@H](C)c1nc(C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000847211989 1333413573 /nfs/dbraw/zinc/41/35/73/1333413573.db2.gz PSIINBWKJMIXMY-DWOQACPDSA-N 0 0 330.344 2.909 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC000847212351 1333414113 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CNC(=O)Cc1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001352542630 1333589635 /nfs/dbraw/zinc/58/96/35/1333589635.db2.gz HLUPCIDUFOVVSA-UHFFFAOYSA-N 0 0 345.330 2.583 10 5 EFBERN Cc1cccc(N(C)C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c1 ZINC001352567703 1333604030 /nfs/dbraw/zinc/60/40/30/1333604030.db2.gz INDYRCOMASSVNS-UHFFFAOYSA-N 0 0 337.339 2.761 10 5 EFBERN COC(=O)c1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC001352634306 1333645170 /nfs/dbraw/zinc/64/51/70/1333645170.db2.gz HNYLCIVATNJBMI-DAXSKMNVSA-N 0 0 334.259 2.765 10 5 EFBERN CCc1ncoc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001352657670 1333655528 /nfs/dbraw/zinc/65/55/28/1333655528.db2.gz LDGROMUHYOPSBR-UHFFFAOYSA-N 0 0 327.300 2.583 10 5 EFBERN Cc1ccc(-c2cc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])n[nH]2)s1 ZINC001300086565 1333672015 /nfs/dbraw/zinc/67/20/15/1333672015.db2.gz FRAHKIRVCMPMFS-UHFFFAOYSA-N 0 0 344.356 2.584 10 5 EFBERN COC(=O)c1coc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001352701847 1333672932 /nfs/dbraw/zinc/67/29/32/1333672932.db2.gz ANHFZIKBOGXBDH-GQCTYLIASA-N 0 0 346.295 2.635 10 5 EFBERN COc1cccc([C@@H](OC)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001352703564 1333674117 /nfs/dbraw/zinc/67/41/17/1333674117.db2.gz MEIVAGGSOMXYRG-MRXNPFEDSA-N 0 0 346.339 2.938 10 5 EFBERN COc1ccc(NC(=O)[C@@H]2Cc3cccc(C)c3O2)c([N+](=O)[O-])c1 ZINC001352705140 1333674775 /nfs/dbraw/zinc/67/47/75/1333674775.db2.gz YLKADSLRYOZRGF-HNNXBMFYSA-N 0 0 328.324 2.854 10 5 EFBERN Cc1nn(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ncccc12 ZINC001352713825 1333677240 /nfs/dbraw/zinc/67/72/40/1333677240.db2.gz BVNBSGMEHALCHJ-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN CCOC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001352725940 1333682966 /nfs/dbraw/zinc/68/29/66/1333682966.db2.gz YICLSRVOXDBFNG-UHFFFAOYSA-N 0 0 329.312 2.727 10 5 EFBERN COc1c(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC001300254618 1334073018 /nfs/dbraw/zinc/07/30/18/1334073018.db2.gz YCQVBNFLFNUFHC-BMIGLBTASA-N 0 0 348.330 2.594 10 5 EFBERN Cc1nn(CC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c2ncccc12 ZINC001353338753 1334092675 /nfs/dbraw/zinc/09/26/75/1334092675.db2.gz SKPOUSHRQIKVOE-UHFFFAOYSA-N 0 0 347.281 2.565 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2CCCc3nc(C)sc32)c1[N+](=O)[O-] ZINC000847691220 1334094973 /nfs/dbraw/zinc/09/49/73/1334094973.db2.gz DHRYYFBPOCGJPI-LLVKDONJSA-N 0 0 347.400 2.604 10 5 EFBERN C[C@H](OCc1ccc(F)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001354113288 1334124346 /nfs/dbraw/zinc/12/43/46/1334124346.db2.gz COLFDACLGCYMNF-LBPRGKRZSA-N 0 0 332.331 2.955 10 5 EFBERN O=C(NC[C@@H]1COc2ccccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001354174955 1334147739 /nfs/dbraw/zinc/14/77/39/1334147739.db2.gz SKRRMJZWOKPYKL-LLVKDONJSA-N 0 0 330.315 2.715 10 5 EFBERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001354337020 1334240244 /nfs/dbraw/zinc/24/02/44/1334240244.db2.gz RESKBCWKVVTGLY-CYBMUJFWSA-N 0 0 346.387 2.831 10 5 EFBERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001354337022 1334240378 /nfs/dbraw/zinc/24/03/78/1334240378.db2.gz RESKBCWKVVTGLY-ZDUSSCGKSA-N 0 0 346.387 2.831 10 5 EFBERN O=[N+]([O-])c1cnc(NCCNc2ccccn2)c(C(F)(F)F)c1 ZINC001472642912 1334290929 /nfs/dbraw/zinc/29/09/29/1334290929.db2.gz NULSUGKTHWZIQI-UHFFFAOYSA-N 0 0 327.266 2.928 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C)CC(C)(C)OC1=O ZINC000848148193 1334366786 /nfs/dbraw/zinc/36/67/86/1334366786.db2.gz NYYAAOKBONPUMG-KAMXEHQASA-N 0 0 332.356 2.599 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C)CC(C)(C)OC1=O ZINC000848148188 1334367203 /nfs/dbraw/zinc/36/72/03/1334367203.db2.gz NYYAAOKBONPUMG-CCCPALQASA-N 0 0 332.356 2.599 10 5 EFBERN COC(=O)/C=C/c1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001354623393 1334420389 /nfs/dbraw/zinc/42/03/89/1334420389.db2.gz GWLIJGSJRSHGRG-DJYGCBNOSA-N 0 0 344.323 2.865 10 5 EFBERN CC(C)(CCC(=O)N1CC(O)(c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000848258712 1334529385 /nfs/dbraw/zinc/52/93/85/1334529385.db2.gz DSJGMGUGUNVWCH-UHFFFAOYSA-N 0 0 342.395 2.705 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H](O)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001472901453 1334614818 /nfs/dbraw/zinc/61/48/18/1334614818.db2.gz MGQAHTICVRRDNJ-HNNXBMFYSA-N 0 0 341.371 2.639 10 5 EFBERN CC(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC001354996001 1334638025 /nfs/dbraw/zinc/63/80/25/1334638025.db2.gz WFWUWCFMYMHGHI-UHFFFAOYSA-N 0 0 327.340 2.895 10 5 EFBERN O=C(CCc1nnc(C(F)F)o1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001355003522 1334645827 /nfs/dbraw/zinc/64/58/27/1334645827.db2.gz IOMTUWUUSLXUSU-UHFFFAOYSA-N 0 0 330.222 2.626 10 5 EFBERN Cc1c(NC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)cccc1[N+](=O)[O-] ZINC001355015931 1334654871 /nfs/dbraw/zinc/65/48/71/1334654871.db2.gz NVIMHMZGBMQROM-XIKOKIGWSA-N 0 0 337.335 2.752 10 5 EFBERN Cc1c(NC(=O)CCc2nnc(C(F)F)o2)cccc1[N+](=O)[O-] ZINC001355015496 1334655157 /nfs/dbraw/zinc/65/51/57/1334655157.db2.gz JCXUCZDYBXLFJI-UHFFFAOYSA-N 0 0 326.259 2.795 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)s1 ZINC001355022761 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325.390 2.816 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC001439641579 1389328745 /nfs/dbraw/zinc/32/87/45/1389328745.db2.gz JYBFITJBXMMRSH-GFCCVEGCSA-N 0 0 342.779 2.956 10 5 EFBERN Cc1noc(C[C@@H]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)n1 ZINC001439712551 1389329911 /nfs/dbraw/zinc/32/99/11/1389329911.db2.gz ZSKPDVHNGCTCDT-ZDUSSCGKSA-N 0 0 344.371 2.690 10 5 EFBERN Cc1cc(NC(=O)CCS(=O)(=O)C2CCCC2)cc([N+](=O)[O-])c1 ZINC001440116864 1389393384 /nfs/dbraw/zinc/39/33/84/1389393384.db2.gz RILFDCJETNXHNT-UHFFFAOYSA-N 0 0 340.401 2.589 10 5 EFBERN Cc1cc(NC(=O)c2ccc(N3CCCC3)nn2)cc([N+](=O)[O-])c1 ZINC001440140821 1389407839 /nfs/dbraw/zinc/40/78/39/1389407839.db2.gz WRZQICHGAYOYQS-UHFFFAOYSA-N 0 0 327.344 2.546 10 5 EFBERN CCn1c(=O)[nH]c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC001440569380 1389754740 /nfs/dbraw/zinc/75/47/40/1389754740.db2.gz NDNSXNDXXWNUPC-UHFFFAOYSA-N 0 0 326.312 2.922 10 5 EFBERN CNc1nccc(C(=O)N(C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC001440841623 1389940629 /nfs/dbraw/zinc/94/06/29/1389940629.db2.gz HWBCDMJEKWIOQX-UHFFFAOYSA-N 0 0 336.298 2.582 10 5 EFBERN CC(=O)Nc1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC001441014748 1391033485 /nfs/dbraw/zinc/03/34/85/1391033485.db2.gz JFWHCWXOXPIUDF-INIZCTEOSA-N 0 0 343.339 2.534 10 5 EFBERN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001441088905 1391081884 /nfs/dbraw/zinc/08/18/84/1391081884.db2.gz MZCNLAUXJMQIIM-UHFFFAOYSA-N 0 0 339.149 2.747 10 5 EFBERN C[C@@]1(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCc2ccccc21 ZINC001446688658 1391584029 /nfs/dbraw/zinc/58/40/29/1391584029.db2.gz VEVLIQRUEIGAFW-QGZVFWFLSA-N 0 0 327.340 2.677 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC001446795607 1391604450 /nfs/dbraw/zinc/60/44/50/1391604450.db2.gz SCKXATGQVXCJFJ-UHFFFAOYSA-N 0 0 349.778 2.504 10 5 EFBERN Cc1[nH]c(=O)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001546000383 1391768264 /nfs/dbraw/zinc/76/82/64/1391768264.db2.gz MKNOUWPKEWIEKT-UHFFFAOYSA-N 0 0 327.340 2.809 10 5 EFBERN CC(C)(O)c1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001448003325 1391891301 /nfs/dbraw/zinc/89/13/01/1391891301.db2.gz DWXHHXXGNGPJGN-UHFFFAOYSA-N 0 0 332.331 2.891 10 5 EFBERN CC[C@H]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)[C@H]1C ZINC001448028360 1391903840 /nfs/dbraw/zinc/90/38/40/1391903840.db2.gz TZARFDDLLXMDEA-ONGXEEELSA-N 0 0 337.351 2.953 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2[nH]cnc2c1F ZINC001448229631 1392038099 /nfs/dbraw/zinc/03/80/99/1392038099.db2.gz NNXUUNPMFQXOPQ-UHFFFAOYSA-N 0 0 342.330 2.925 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2n[nH]nc21 ZINC001450717522 1392713992 /nfs/dbraw/zinc/71/39/92/1392713992.db2.gz ULBYMQMPCSFCAF-UHFFFAOYSA-N 0 0 327.300 2.517 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1COc2ccccc21 ZINC001450750902 1392731321 /nfs/dbraw/zinc/73/13/21/1392731321.db2.gz GGRORLAPSGHOKT-LBPRGKRZSA-N 0 0 330.315 2.569 10 5 EFBERN C[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)n1ccc(C(F)(F)F)n1 ZINC001450769513 1392741149 /nfs/dbraw/zinc/74/11/49/1392741149.db2.gz MORVELJPALTQIG-SSDOTTSWSA-N 0 0 343.265 2.592 10 5 EFBERN CN1CC[C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c2ccccc21 ZINC001450772567 1392743480 /nfs/dbraw/zinc/74/34/80/1392743480.db2.gz VJQUVEYYCZZWFS-CYBMUJFWSA-N 0 0 326.356 2.739 10 5 EFBERN CN1CC[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c2ccccc21 ZINC001450772571 1392743672 /nfs/dbraw/zinc/74/36/72/1392743672.db2.gz VJQUVEYYCZZWFS-ZDUSSCGKSA-N 0 0 326.356 2.739 10 5 EFBERN C[C@@]1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC(c2ccccc2)=NO1 ZINC001450773737 1392744282 /nfs/dbraw/zinc/74/42/82/1392744282.db2.gz WQTFKSYRXHSBJE-KRWDZBQOSA-N 0 0 340.339 2.699 10 5 EFBERN COc1ccc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1O ZINC001450841273 1392779386 /nfs/dbraw/zinc/77/93/86/1392779386.db2.gz FTVXOXCAMMFTDU-UHFFFAOYSA-N 0 0 330.340 2.856 10 5 EFBERN CNc1ccc(C(=O)NCC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC001451933636 1392855178 /nfs/dbraw/zinc/85/51/78/1392855178.db2.gz DRCUHEHUENPHIW-UHFFFAOYSA-N 0 0 349.293 2.527 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCc1cccc2c1OCO2 ZINC001452181800 1392892735 /nfs/dbraw/zinc/89/27/35/1392892735.db2.gz JBWZGSKHDUPKCP-UHFFFAOYSA-N 0 0 343.339 2.937 10 5 EFBERN COc1ncccc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001454442457 1393027756 /nfs/dbraw/zinc/02/77/56/1393027756.db2.gz WFDWTSRPPPHCMK-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001454624033 1393075722 /nfs/dbraw/zinc/07/57/22/1393075722.db2.gz AKUFZSNZGOXIGP-GFCCVEGCSA-N 0 0 345.742 2.541 10 5 EFBERN C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)Cc2c[nH]nc21 ZINC001454675760 1393089031 /nfs/dbraw/zinc/08/90/31/1393089031.db2.gz LXEKVDIIBZBJIU-SECBINFHSA-N 0 0 325.328 2.559 10 5 EFBERN Cc1ccc(CNC(=O)c2cc3c([nH]c2=O)CCCC3)cc1[N+](=O)[O-] ZINC001454898179 1394369361 /nfs/dbraw/zinc/36/93/61/1394369361.db2.gz CFEWIKPRTHOHRY-UHFFFAOYSA-N 0 0 341.367 2.813 10 5 EFBERN Cc1ccc(CNC(=O)CCOc2ccc(C=O)cc2)cc1[N+](=O)[O-] ZINC001454898687 1394371324 /nfs/dbraw/zinc/37/13/24/1394371324.db2.gz HMLJTNOYCJXLCC-UHFFFAOYSA-N 0 0 342.351 2.801 10 5 EFBERN Cc1cc(C(=O)NCc2cc3c([nH]c2=O)CCCC3)cc([N+](=O)[O-])c1 ZINC001454991517 1394502095 /nfs/dbraw/zinc/50/20/95/1394502095.db2.gz PWZFRGARBRDFCT-UHFFFAOYSA-N 0 0 341.367 2.813 10 5 EFBERN COc1cc(C(=O)NCc2cc3cnccc3o2)cc([N+](=O)[O-])c1C ZINC001455062340 1394540893 /nfs/dbraw/zinc/54/08/93/1394540893.db2.gz HCXPQUUUDVWEAY-UHFFFAOYSA-N 0 0 341.323 2.983 10 5 EFBERN Cc1cc(OCC(=O)NCC(=O)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC001455127912 1394563145 /nfs/dbraw/zinc/56/31/45/1394563145.db2.gz WKXVBMSJZWHIJY-UHFFFAOYSA-N 0 0 348.399 2.938 10 5 EFBERN Cc1c[nH]c(C2(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CCC2)n1 ZINC001455138557 1394565740 /nfs/dbraw/zinc/56/57/40/1394565740.db2.gz WFDQBRPXOOZAOQ-UHFFFAOYSA-N 0 0 339.355 2.917 10 5 EFBERN CCc1ccc(C(=O)N2Cc3cncnc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC001455141619 1394566974 /nfs/dbraw/zinc/56/69/74/1394566974.db2.gz QVZJYXKQSWMLJK-LLVKDONJSA-N 0 0 326.356 2.707 10 5 EFBERN O=C(NC[C@H]1C[C@H](O)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455410484 1394598493 /nfs/dbraw/zinc/59/84/93/1394598493.db2.gz WJBKGZBMRBGTQE-NNUKFRKNSA-N 0 0 341.367 2.839 10 5 EFBERN CCCCO[C@@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455676191 1394637525 /nfs/dbraw/zinc/63/75/25/1394637525.db2.gz GCFYPIRXVCTLCP-LBPRGKRZSA-N 0 0 348.403 2.725 10 5 EFBERN C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001455678229 1394639659 /nfs/dbraw/zinc/63/96/59/1394639659.db2.gz VADYOTDWVSMBES-SECBINFHSA-N 0 0 334.763 2.806 10 5 EFBERN COc1ccc(NC(=O)c2ccc3c(c2)nc[nH]c3=O)cc1[N+](=O)[O-] ZINC001546082188 1394686054 /nfs/dbraw/zinc/68/60/54/1394686054.db2.gz JJFVUSONOTYAKL-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC001456518467 1394705622 /nfs/dbraw/zinc/70/56/22/1394705622.db2.gz ZQDKZRDZMRRCOM-ZANVPECISA-N 0 0 341.795 2.501 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(C(N)=O)o1 ZINC001456542935 1394710477 /nfs/dbraw/zinc/71/04/77/1394710477.db2.gz JZHUKSCWDLVFEL-HYXAFXHYSA-N 0 0 349.730 2.900 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(N3CCCC3)nc2)c(N)c1[N+](=O)[O-] ZINC001456739914 1394785784 /nfs/dbraw/zinc/78/57/84/1394785784.db2.gz FKUFCRFDZGGKLF-UHFFFAOYSA-N 0 0 341.371 2.733 10 5 EFBERN CCSCc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)no1 ZINC001456751973 1394790909 /nfs/dbraw/zinc/79/09/09/1394790909.db2.gz SSGPDRBVEXLRGT-UHFFFAOYSA-N 0 0 336.373 2.979 10 5 EFBERN Cc1ccc(NC(=O)[C@](C)(O)c2ccc(Cl)cc2)c(N)c1[N+](=O)[O-] ZINC001456751074 1394790925 /nfs/dbraw/zinc/79/09/25/1394790925.db2.gz QIBCXJVHUFQCQK-MRXNPFEDSA-N 0 0 349.774 2.985 10 5 EFBERN O=C(N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC001456932029 1394871165 /nfs/dbraw/zinc/87/11/65/1394871165.db2.gz FECGLQFQMLZDAR-HAQNSBGRSA-N 0 0 342.355 2.547 10 5 EFBERN O=C(NCC(F)(F)C1(O)CCCCC1)c1csc([N+](=O)[O-])c1 ZINC001457053451 1394944954 /nfs/dbraw/zinc/94/49/54/1394944954.db2.gz SXQAWDFVOKXOIE-UHFFFAOYSA-N 0 0 334.344 2.717 10 5 EFBERN CCNc1ccc(C(=O)N[C@@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC001457075730 1394957145 /nfs/dbraw/zinc/95/71/45/1394957145.db2.gz SZUGNSBUBTXATH-LBPRGKRZSA-N 0 0 328.372 2.783 10 5 EFBERN Cn1nc(-c2ccncc2)cc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001457164400 1395012184 /nfs/dbraw/zinc/01/21/84/1395012184.db2.gz PUFPPDJZMLNNMO-UHFFFAOYSA-N 0 0 349.350 2.546 10 5 EFBERN Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc([N+](=O)[O-])c1 ZINC001457197778 1395027110 /nfs/dbraw/zinc/02/71/10/1395027110.db2.gz GJXDPGCGTLVSLU-UHFFFAOYSA-N 0 0 349.368 2.527 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001457197008 1395027507 /nfs/dbraw/zinc/02/75/07/1395027507.db2.gz YMCCCSOCUVJFSU-TXEJJXNPSA-N 0 0 349.387 2.689 10 5 EFBERN Cc1nc(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)ccc1[N+](=O)[O-] ZINC001457289101 1395055903 /nfs/dbraw/zinc/05/59/03/1395055903.db2.gz KXAHUZSAGUQNCN-JTQLQIEISA-N 0 0 344.302 2.502 10 5 EFBERN Nc1c(C(=O)Nc2cc(Cl)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC001457407436 1395100735 /nfs/dbraw/zinc/10/07/35/1395100735.db2.gz PPEVJEQTSRZNSY-UHFFFAOYSA-N 0 0 349.730 2.854 10 5 EFBERN Cc1ccc2nc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cn2c1 ZINC001457570097 1395224890 /nfs/dbraw/zinc/22/48/90/1395224890.db2.gz BAHNEZFIUDMJJA-UHFFFAOYSA-N 0 0 336.351 2.749 10 5 EFBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1cnn(C2CC2)c1 ZINC001457903555 1395382766 /nfs/dbraw/zinc/38/27/66/1395382766.db2.gz HVQNYIVFOMTNNC-UHFFFAOYSA-N 0 0 338.327 2.769 10 5 EFBERN Cn1ccnc1-c1csc(NC(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001457913631 1395384806 /nfs/dbraw/zinc/38/48/06/1395384806.db2.gz TUDFPQQDJMWUDS-UHFFFAOYSA-N 0 0 347.331 2.843 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H](CO)Cc1ccco1 ZINC001458084737 1395405449 /nfs/dbraw/zinc/40/54/49/1395405449.db2.gz TZOPEDRKIVOKBP-NSHDSACASA-N 0 0 345.330 2.560 10 5 EFBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccncc1N1CCCC1 ZINC001458117362 1395409731 /nfs/dbraw/zinc/40/97/31/1395409731.db2.gz KEWYDNMCLPJBHI-UHFFFAOYSA-N 0 0 331.303 2.948 10 5 EFBERN CN(CCc1ccc(Br)cc1)c1c([N+](=O)[O-])cnn1C ZINC001458164198 1395417403 /nfs/dbraw/zinc/41/74/03/1395417403.db2.gz CFAVFLWZISGANB-UHFFFAOYSA-N 0 0 339.193 2.770 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2nncn2C(C)C)cc1C ZINC001458176584 1395420738 /nfs/dbraw/zinc/42/07/38/1395420738.db2.gz APRKSKGUZVCKKY-UHFFFAOYSA-N 0 0 347.375 2.864 10 5 EFBERN COc1ccccc1COC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458266247 1395434356 /nfs/dbraw/zinc/43/43/56/1395434356.db2.gz PSKGGQBEHHHQON-UHFFFAOYSA-N 0 0 346.387 2.523 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCOCC(F)F)cc1C ZINC001458320664 1395445623 /nfs/dbraw/zinc/44/56/23/1395445623.db2.gz HBGMWNBLHIREOM-UHFFFAOYSA-N 0 0 332.303 2.774 10 5 EFBERN O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccnn1 ZINC001458319898 1395445852 /nfs/dbraw/zinc/44/58/52/1395445852.db2.gz OIXIVCQYYYTIEP-INIZCTEOSA-N 0 0 336.307 2.726 10 5 EFBERN Cc1nc(NCCOc2ccc(F)c(Cl)c2)ncc1[N+](=O)[O-] ZINC001458387650 1395458123 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C[C@@H](Sc1nc2c(cnn2C)c(=O)[nH]1)c1ccccc1[N+](=O)[O-] ZINC001459181915 1395747181 /nfs/dbraw/zinc/74/71/81/1395747181.db2.gz DOTZHJYPXPWXIE-MRVPVSSYSA-N 0 0 331.357 2.830 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2csc(-c3ccccc3)n2)c1=O ZINC001459212955 1395757702 /nfs/dbraw/zinc/75/77/02/1395757702.db2.gz VLCFUEBMCXZZDI-UHFFFAOYSA-N 0 0 343.364 2.937 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1C(=O)c2ccccc2[C@H](C)C1=O ZINC001459233556 1395763586 /nfs/dbraw/zinc/76/35/86/1395763586.db2.gz XSRVTKJGVLGMCS-NSHDSACASA-N 0 0 340.335 2.890 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(-c2ccccc2)ns1 ZINC001459294022 1395789988 /nfs/dbraw/zinc/78/99/88/1395789988.db2.gz DOCNMVSNKPDYIA-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC001459300622 1395790884 /nfs/dbraw/zinc/79/08/84/1395790884.db2.gz RTJMFNVGZCRDFH-UHFFFAOYSA-N 0 0 344.249 2.522 10 5 EFBERN CN(C(=O)c1cnc2c(F)cccc2c1)c1ccc([N+](=O)[O-])nc1 ZINC001459474922 1395886128 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Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC001460930584 1396269960 /nfs/dbraw/zinc/26/99/60/1396269960.db2.gz GCPWBEKMZDARIF-HNNXBMFYSA-N 0 0 340.339 2.502 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@@]23CCOC3)o1 ZINC001460961840 1396274940 /nfs/dbraw/zinc/27/49/40/1396274940.db2.gz TXGTUEPGOVBNCM-KRWDZBQOSA-N 0 0 344.371 2.790 10 5 EFBERN Cn1cncc1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001460961469 1396275009 /nfs/dbraw/zinc/27/50/09/1396275009.db2.gz FQAZXQKPNSNOJS-UHFFFAOYSA-N 0 0 341.371 2.849 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001461029627 1396283728 /nfs/dbraw/zinc/28/37/28/1396283728.db2.gz ICONJZAVXFYBPS-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN CN(CC(=O)N1CCSC[C@H]1C1CCC1)c1ccccc1[N+](=O)[O-] ZINC001461033566 1396285016 /nfs/dbraw/zinc/28/50/16/1396285016.db2.gz NXBQGTIWBVFKMV-INIZCTEOSA-N 0 0 349.456 2.775 10 5 EFBERN CCOc1ccc(C(=O)Nc2nccc(SC)n2)cc1[N+](=O)[O-] ZINC001461334146 1396369810 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O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1c1cccc(F)c1 ZINC001461598099 1396393904 /nfs/dbraw/zinc/39/39/04/1396393904.db2.gz NZCDWYLWYCHABX-INIZCTEOSA-N 0 0 330.315 2.948 10 5 EFBERN COc1cc(C(=O)Nc2cccc3c2OCC3)c([N+](=O)[O-])cc1OC ZINC001461600866 1396393973 /nfs/dbraw/zinc/39/39/73/1396393973.db2.gz NPZQYPQMGOIVDP-UHFFFAOYSA-N 0 0 344.323 2.799 10 5 EFBERN COc1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cnc1OC ZINC001461642533 1396397185 /nfs/dbraw/zinc/39/71/85/1396397185.db2.gz SDDFHCSKPQUJMF-UHFFFAOYSA-N 0 0 331.328 2.876 10 5 EFBERN O=C(COCc1ccccn1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001461702272 1396400647 /nfs/dbraw/zinc/40/06/47/1396400647.db2.gz ATKCELBPPMMLRI-UHFFFAOYSA-N 0 0 338.323 2.693 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnc(Oc2ccccc2)nc1 ZINC001461890250 1396410469 /nfs/dbraw/zinc/41/04/69/1396410469.db2.gz SIWXFYBMSRMKOD-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN Nc1c(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001462015547 1396415779 /nfs/dbraw/zinc/41/57/79/1396415779.db2.gz ZPMADSRZOQWLSK-SWLSCSKDSA-N 0 0 341.367 2.628 10 5 EFBERN Cn1c(=O)c2ccccc2n1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001462210145 1396427386 /nfs/dbraw/zinc/42/73/86/1396427386.db2.gz UMMYPIKWHNUZRX-UHFFFAOYSA-N 0 0 339.351 2.866 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(-c3cccnc3)on2)cc1[N+](=O)[O-] ZINC001462253385 1396429601 /nfs/dbraw/zinc/42/96/01/1396429601.db2.gz RHAZMCVHEMZADH-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN COC(=O)c1ccc(CC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001462254284 1396429833 /nfs/dbraw/zinc/42/98/33/1396429833.db2.gz ZXRYZGZJZUNRDF-UHFFFAOYSA-N 0 0 342.351 2.549 10 5 EFBERN Nc1c(C(=O)NCCc2ccns2)cc2ccccc2c1[N+](=O)[O-] ZINC001462486974 1396437964 /nfs/dbraw/zinc/43/79/64/1396437964.db2.gz OMVMSSODBYMQAD-UHFFFAOYSA-N 0 0 342.380 2.759 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001462534977 1396441213 /nfs/dbraw/zinc/44/12/13/1396441213.db2.gz UWUPZLCDRVUWAS-QGZVFWFLSA-N 0 0 328.372 2.947 10 5 EFBERN Cc1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)ccc1[N+](=O)[O-] ZINC001462636397 1396445758 /nfs/dbraw/zinc/44/57/58/1396445758.db2.gz ZAHQGMBENFBTAI-UHFFFAOYSA-N 0 0 327.296 2.680 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001462661840 1396446460 /nfs/dbraw/zinc/44/64/60/1396446460.db2.gz MXRXYNVUJRBLMH-UHFFFAOYSA-N 0 0 331.347 2.924 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001462734656 1396449838 /nfs/dbraw/zinc/44/98/38/1396449838.db2.gz WCOZJTAEZKUCAY-UHFFFAOYSA-N 0 0 327.340 2.539 10 5 EFBERN Cc1c(CC(=O)Nc2ccccc2-n2nccn2)cccc1[N+](=O)[O-] ZINC001462742457 1396451355 /nfs/dbraw/zinc/45/13/55/1396451355.db2.gz WUWAQNXTDCFVEE-UHFFFAOYSA-N 0 0 337.339 2.665 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)no1 ZINC001462764068 1396452203 /nfs/dbraw/zinc/45/22/03/1396452203.db2.gz MYKFAAMCKNZEIQ-JTQLQIEISA-N 0 0 336.735 2.569 10 5 EFBERN Cc1cc(OCC(=O)N=[S@@](C)(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC001462868471 1396456084 /nfs/dbraw/zinc/45/60/84/1396456084.db2.gz DIQXEWIJYSVMAZ-DEOSSOPVSA-N 0 0 348.380 2.966 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N=[S@](C)(=O)c2ccc(F)cc2)n1 ZINC001462873734 1396457118 /nfs/dbraw/zinc/45/71/18/1396457118.db2.gz KYKWSWOCRCLLSA-HSZRJFAPSA-N 0 0 337.332 2.734 10 5 EFBERN O=C(N[C@H]1CCCC2(CC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001463028856 1396467534 /nfs/dbraw/zinc/46/75/34/1396467534.db2.gz XIUWJSFVSQWBLX-ZDUSSCGKSA-N 0 0 341.371 2.628 10 5 EFBERN NC(=O)c1cc(NC(=O)C2(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC001463028874 1396468222 /nfs/dbraw/zinc/46/82/22/1396468222.db2.gz WIPBPJZCYBMXFG-UHFFFAOYSA-N 0 0 343.314 2.503 10 5 EFBERN C[C@H](CC(N)=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001463087612 1396471835 /nfs/dbraw/zinc/47/18/35/1396471835.db2.gz QEENFAMILONZBU-SNVBAGLBSA-N 0 0 345.330 2.965 10 5 EFBERN C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001463090562 1396473002 /nfs/dbraw/zinc/47/30/02/1396473002.db2.gz PPBYPRCORKENBP-RISCZKNCSA-N 0 0 345.355 2.968 10 5 EFBERN COc1cc(C(=O)Nc2ccnn2C2CCC2)c([N+](=O)[O-])cc1OC ZINC001463240831 1396479338 /nfs/dbraw/zinc/47/93/38/1396479338.db2.gz BXTFIGFTQZGMIM-UHFFFAOYSA-N 0 0 346.343 2.786 10 5 EFBERN CC(C)Oc1cnccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001463296449 1396483471 /nfs/dbraw/zinc/48/34/71/1396483471.db2.gz POOQLYCHXZKPOS-UHFFFAOYSA-N 0 0 344.371 2.640 10 5 EFBERN O=C(Nc1ccnc(-n2cccn2)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001463379437 1396488393 /nfs/dbraw/zinc/48/83/93/1396488393.db2.gz GVYLKCCFTRRLCB-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN O=C(Nc1cnc(F)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001463390972 1396488898 /nfs/dbraw/zinc/48/88/98/1396488898.db2.gz CXRAGEKDXJRKRO-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CCN2C ZINC001463390049 1396488927 /nfs/dbraw/zinc/48/89/27/1396488927.db2.gz KXEIOAZCKIHDMQ-YVMONPNESA-N 0 0 338.367 2.794 10 5 EFBERN COC(=O)c1ccc(C)c2c1CCCN2C(=O)c1ccc([N+](=O)[O-])o1 ZINC001463396103 1396489749 /nfs/dbraw/zinc/48/97/49/1396489749.db2.gz REPBIYKDSFFVFO-UHFFFAOYSA-N 0 0 344.323 2.876 10 5 EFBERN CC(=O)NCc1ccc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001463409011 1396490641 /nfs/dbraw/zinc/49/06/41/1396490641.db2.gz RDXWDYAUQGWRAR-UHFFFAOYSA-N 0 0 327.340 2.792 10 5 EFBERN COC(=O)c1ccc(/C=C/C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)o1 ZINC001463411104 1396490760 /nfs/dbraw/zinc/49/07/60/1396490760.db2.gz FSCBTHHDNXWSPP-GQCTYLIASA-N 0 0 330.296 2.935 10 5 EFBERN CC(C)(F)c1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)no1 ZINC001463522886 1396498269 /nfs/dbraw/zinc/49/82/69/1396498269.db2.gz AZCMLMCCXGGVJM-UHFFFAOYSA-N 0 0 347.306 2.776 10 5 EFBERN Cc1nnc2n1CCN(C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])[C@H]2C ZINC001463521651 1396498612 /nfs/dbraw/zinc/49/86/12/1396498612.db2.gz XSOSLQZZBJDWND-VIFPVBQESA-N 0 0 349.778 2.674 10 5 EFBERN CC(=O)Nc1ccc(OC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001463778924 1396519655 /nfs/dbraw/zinc/51/96/55/1396519655.db2.gz DFSILFNEOGTZBF-UHFFFAOYSA-N 0 0 332.287 2.840 10 5 EFBERN Cc1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001463850231 1396525141 /nfs/dbraw/zinc/52/51/41/1396525141.db2.gz ZRQYHMWMZQCFDK-RHNCMZPLSA-N 0 0 326.352 2.934 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2ccccc2s1 ZINC001463895616 1396529512 /nfs/dbraw/zinc/52/95/12/1396529512.db2.gz SOYKIRDTLMXDAU-UHFFFAOYSA-N 0 0 328.353 2.717 10 5 EFBERN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001464017694 1396538848 /nfs/dbraw/zinc/53/88/48/1396538848.db2.gz VRDAVZWVXJQQGY-JTQLQIEISA-N 0 0 342.355 2.626 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(C=O)cc1F ZINC001464048953 1396541981 /nfs/dbraw/zinc/54/19/81/1396541981.db2.gz ZDNNKZWVSAHTIK-UHFFFAOYSA-N 0 0 334.278 2.958 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)n1 ZINC001464080261 1396544475 /nfs/dbraw/zinc/54/44/75/1396544475.db2.gz XSXCHYQJPLERCN-UHFFFAOYSA-N 0 0 339.311 2.646 10 5 EFBERN C[C@@H](Cc1ccco1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001464096233 1396546129 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O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCc2cc(OC(F)F)ccc21 ZINC001464446719 1396575828 /nfs/dbraw/zinc/57/58/28/1396575828.db2.gz MQADSBHVALLLDX-UHFFFAOYSA-N 0 0 338.270 2.512 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc2[nH]cnc2c1 ZINC001464464541 1396578742 /nfs/dbraw/zinc/57/87/42/1396578742.db2.gz JAZOWESKPOERFW-UHFFFAOYSA-N 0 0 339.355 2.917 10 5 EFBERN Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(N)c1Cl ZINC001464906562 1396630170 /nfs/dbraw/zinc/63/01/70/1396630170.db2.gz JDTDMQDOOAXHQF-UHFFFAOYSA-N 0 0 349.774 2.948 10 5 EFBERN COC(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001464969728 1396636539 /nfs/dbraw/zinc/63/65/39/1396636539.db2.gz FZLIEFVIZHBNBI-UHFFFAOYSA-N 0 0 343.339 2.535 10 5 EFBERN C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001464991464 1396637786 /nfs/dbraw/zinc/63/77/86/1396637786.db2.gz KDNPGLQRDNUMPH-MRVPVSSYSA-N 0 0 349.416 2.817 10 5 EFBERN CNc1ccc(C(=O)N(C)CC(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC001464994964 1396639245 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345.540 2.986 10 5 EFBERN CCC(CC)[C@H](O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465855503 1396717100 /nfs/dbraw/zinc/71/71/00/1396717100.db2.gz FKCXREXBFOSIEJ-OAHLLOKOSA-N 0 0 345.399 2.857 10 5 EFBERN CSc1cc(C)ccc1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001466021950 1396732025 /nfs/dbraw/zinc/73/20/25/1396732025.db2.gz HNZVEJVDPXIECJ-INIZCTEOSA-N 0 0 346.408 2.975 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CCO)c1ccccc1 ZINC001466029712 1396732550 /nfs/dbraw/zinc/73/25/50/1396732550.db2.gz HTRILFFMUFLBEA-OAHLLOKOSA-N 0 0 332.331 2.896 10 5 EFBERN Cc1nc([C@@H](C)NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)no1 ZINC001466191616 1396743664 /nfs/dbraw/zinc/74/36/64/1396743664.db2.gz DREYDGIGUWUOIH-RXMQYKEDSA-N 0 0 328.687 2.570 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1cccc(O)c1 ZINC001466354500 1396750418 /nfs/dbraw/zinc/75/04/18/1396750418.db2.gz IWJSPOHCSMMDNJ-UHFFFAOYSA-N 0 0 330.340 2.558 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccnn1CC1CCC1 ZINC001466637504 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EFBERN CCOc1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)n1 ZINC001468657915 1396977577 /nfs/dbraw/zinc/97/75/77/1396977577.db2.gz DYDSEXKPFJBLQM-UHFFFAOYSA-N 0 0 345.355 2.968 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](O)c1cccc(OC)c1 ZINC001468657952 1396977627 /nfs/dbraw/zinc/97/76/27/1396977627.db2.gz FGBJYTHCYOMBLZ-INIZCTEOSA-N 0 0 346.339 2.674 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2Cc3ccccc3CO2)cc1[N+](=O)[O-] ZINC001468683235 1396978982 /nfs/dbraw/zinc/97/89/82/1396978982.db2.gz CODFEVRIVDCPKE-UHFFFAOYSA-N 0 0 333.731 2.918 10 5 EFBERN Nc1ccc(NC(=O)[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001468693183 1396980087 /nfs/dbraw/zinc/98/00/87/1396980087.db2.gz GKLUSLHSBUBXFP-NSHDSACASA-N 0 0 344.346 2.781 10 5 EFBERN Nc1ccc(NC(=O)c2ccccc2NC(=O)C2CC2)cc1[N+](=O)[O-] ZINC001468693275 1396980411 /nfs/dbraw/zinc/98/04/11/1396980411.db2.gz HOQXPFQIJLDRJA-UHFFFAOYSA-N 0 0 340.339 2.778 10 5 EFBERN C[S@](=N)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001468914003 1396991075 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ZINC001471557550 1397183539 /nfs/dbraw/zinc/18/35/39/1397183539.db2.gz QYUPRCKANGIWRV-JTQLQIEISA-N 0 0 332.385 2.572 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cc(O)ccc1Cl ZINC001471580912 1397185432 /nfs/dbraw/zinc/18/54/32/1397185432.db2.gz ZPNWSICITLNSSX-UHFFFAOYSA-N 0 0 338.722 2.952 10 5 EFBERN Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(O)c1C ZINC001471604134 1397187931 /nfs/dbraw/zinc/18/79/31/1397187931.db2.gz FEOSLACOVPAAGQ-UHFFFAOYSA-N 0 0 330.296 2.898 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001471785551 1397206218 /nfs/dbraw/zinc/20/62/18/1397206218.db2.gz GCTPVACUJQCRSW-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2cnccc2s1 ZINC001471795959 1397208680 /nfs/dbraw/zinc/20/86/80/1397208680.db2.gz VIDBSHYSZFFJQA-UHFFFAOYSA-N 0 0 328.353 2.838 10 5 EFBERN C[C@@H](NC(=O)c1cccc(NC(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC001471800149 1397209108 /nfs/dbraw/zinc/20/91/08/1397209108.db2.gz CCTNFJAIBUKQGC-SNVBAGLBSA-N 0 0 328.328 2.576 10 5 EFBERN CCCOc1nc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471841722 1397214689 /nfs/dbraw/zinc/21/46/89/1397214689.db2.gz VJRMLLQDCRNPPE-UHFFFAOYSA-N 0 0 341.327 2.907 10 5 EFBERN O=C(NCc1cc(C(F)F)on1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001471904034 1397221371 /nfs/dbraw/zinc/22/13/71/1397221371.db2.gz KESKSQDMBQQKBX-UHFFFAOYSA-N 0 0 336.254 2.932 10 5 EFBERN Cc1nc(C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)CC2)[nH]c1C ZINC001471911167 1397222233 /nfs/dbraw/zinc/22/22/33/1397222233.db2.gz IOZNLFALQFOLQC-UHFFFAOYSA-N 0 0 343.387 2.658 10 5 EFBERN CC(C)[S@@](C)(=O)=NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001471987682 1397231388 /nfs/dbraw/zinc/23/13/88/1397231388.db2.gz ADUJYSMAGYNWRN-HSZRJFAPSA-N 0 0 336.373 2.631 10 5 EFBERN O=C(N[C@@H](c1ncccn1)C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001471990709 1397232040 /nfs/dbraw/zinc/23/20/40/1397232040.db2.gz QFNNLKVKHZJAIJ-OAHLLOKOSA-N 0 0 337.339 2.747 10 5 EFBERN Cc1nc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC001471991772 1397232141 /nfs/dbraw/zinc/23/21/41/1397232141.db2.gz OXXZTFNOWFJEHA-UHFFFAOYSA-N 0 0 344.371 2.690 10 5 EFBERN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c[nH]1 ZINC001472021368 1397235376 /nfs/dbraw/zinc/23/53/76/1397235376.db2.gz USAFFNUFHYXKNR-UHFFFAOYSA-N 0 0 342.277 2.829 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCSC(C)(C)C2)c1[N+](=O)[O-] ZINC001472087788 1397245359 /nfs/dbraw/zinc/24/53/59/1397245359.db2.gz HDGGTBMQMWEIBF-SECBINFHSA-N 0 0 326.422 2.845 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C(=O)OC(C)C)n[nH]1 ZINC001472093839 1397246534 /nfs/dbraw/zinc/24/65/34/1397246534.db2.gz YXPJIXZUUZFPKV-UHFFFAOYSA-N 0 0 346.343 2.752 10 5 EFBERN O=C(CCC(=O)N1CCc2ncccc21)c1cccc([N+](=O)[O-])c1 ZINC001472095206 1397247022 /nfs/dbraw/zinc/24/70/22/1397247022.db2.gz IYHSCESVWDJNDE-UHFFFAOYSA-N 0 0 325.324 2.542 10 5 EFBERN CC(C)(NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ncon1 ZINC001472097862 1397248058 /nfs/dbraw/zinc/24/80/58/1397248058.db2.gz MYWRWISBGWVFFZ-UHFFFAOYSA-N 0 0 348.362 2.729 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)NCc2[nH]cc(C)c(=O)c2C)cc1Cl ZINC001472123988 1397252840 /nfs/dbraw/zinc/25/28/40/1397252840.db2.gz KGGJPYXVXQRLLZ-UHFFFAOYSA-N 0 0 349.774 2.792 10 5 EFBERN CN(Cc1ccc(C(N)=O)cc1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001472641871 1397264836 /nfs/dbraw/zinc/26/48/36/1397264836.db2.gz BHBSKRXJIIEYRP-UHFFFAOYSA-N 0 0 336.351 2.878 10 5 EFBERN CCCOc1ccnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC001472637992 1397265234 /nfs/dbraw/zinc/26/52/34/1397265234.db2.gz GHUOJOJTLMJRNW-UHFFFAOYSA-N 0 0 343.387 2.500 10 5 EFBERN CCn1c(Sc2ncc([N+](=O)[O-])cc2F)nnc1-c1ccncc1 ZINC001472648125 1397265505 /nfs/dbraw/zinc/26/55/05/1397265505.db2.gz WGQDPWJNSMUXMC-UHFFFAOYSA-N 0 0 346.347 2.954 10 5 EFBERN NC(=O)c1cc(Oc2ccc(Br)nc2)ccc1[N+](=O)[O-] ZINC001472720716 1397268394 /nfs/dbraw/zinc/26/83/94/1397268394.db2.gz TYNAQDIYLRSFOR-UHFFFAOYSA-N 0 0 338.117 2.644 10 5 EFBERN C[C@@]1(CO)CCCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001472738382 1397268719 /nfs/dbraw/zinc/26/87/19/1397268719.db2.gz NVPCFKXOQQVPPF-MRXNPFEDSA-N 0 0 346.343 2.650 10 5 EFBERN C[C@@H](CC(=O)OCc1ccccc1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001472732788 1397268911 /nfs/dbraw/zinc/26/89/11/1397268911.db2.gz VBMVCTQMJXLTPA-NSHDSACASA-N 0 0 349.774 2.999 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)c2noc(C)n2)cc1C ZINC001472738911 1397268916 /nfs/dbraw/zinc/26/89/16/1397268916.db2.gz JFQVRFOUFIKEFZ-VIFPVBQESA-N 0 0 334.332 2.944 10 5 EFBERN Cc1csc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001472956315 1397272898 /nfs/dbraw/zinc/27/28/98/1397272898.db2.gz RMWBVRLJVNAONF-UHFFFAOYSA-N 0 0 345.424 2.923 10 5 EFBERN CC1(C)CCC[C@@H](Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC001472984327 1397276582 /nfs/dbraw/zinc/27/65/82/1397276582.db2.gz KLRMVGGMKXKZQT-ZDUSSCGKSA-N 0 0 333.344 2.759 10 5 EFBERN CS(=O)(=O)c1ccc(COc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC001473007128 1397277333 /nfs/dbraw/zinc/27/73/33/1397277333.db2.gz IRJWXNPQZUQQGP-UHFFFAOYSA-N 0 0 331.733 2.824 10 5 EFBERN NC(=O)[C@@H](Cc1ccccc1)SCCOc1ccc([N+](=O)[O-])cc1 ZINC001473065913 1397280371 /nfs/dbraw/zinc/28/03/71/1397280371.db2.gz NSAMPRBFWGQWNT-MRXNPFEDSA-N 0 0 346.408 2.803 10 5 EFBERN COC(=O)c1nn(CCc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC001473079480 1397280838 /nfs/dbraw/zinc/28/08/38/1397280838.db2.gz ZPSANADAZWPBMW-UHFFFAOYSA-N 0 0 325.324 2.974 10 5 EFBERN CN(Cc1cn[nH]c1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001473260231 1397292775 /nfs/dbraw/zinc/29/27/75/1397292775.db2.gz UGJSAIDUBRYNDY-UHFFFAOYSA-N 0 0 348.750 2.653 10 5 EFBERN O=C(CN1Cc2cc(F)c(F)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC001473587959 1397312216 /nfs/dbraw/zinc/31/22/16/1397312216.db2.gz PNNQRGOLFGXDMZ-UHFFFAOYSA-N 0 0 333.294 2.827 10 5 EFBERN CC1(C)C[C@H](O)CN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473722180 1397325187 /nfs/dbraw/zinc/32/51/87/1397325187.db2.gz MDKKMLFSQSOTKV-LBPRGKRZSA-N 0 0 343.221 2.950 10 5 EFBERN CCCc1occc1C(=O)NCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC001478262193 1397571215 /nfs/dbraw/zinc/57/12/15/1397571215.db2.gz NDZVGOCWHVFAES-UHFFFAOYSA-N 0 0 346.387 2.710 10 5 EFBERN Cc1ccc(CNC(=O)NCC2(O)CCC(C)CC2)cc1[N+](=O)[O-] ZINC001479124425 1397612368 /nfs/dbraw/zinc/61/23/68/1397612368.db2.gz OSFHRHZANATUPR-UHFFFAOYSA-N 0 0 335.404 2.644 10 5 EFBERN C[C@@H](NC(=O)N1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1[N+](=O)[O-] ZINC001479212764 1397619664 /nfs/dbraw/zinc/61/96/64/1397619664.db2.gz CTJZJAYLDRRGRS-JLLWLGSASA-N 0 0 325.315 2.952 10 5 EFBERN C[C@@H](NC(=O)N[C@H](CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001479296605 1397669381 /nfs/dbraw/zinc/66/93/81/1397669381.db2.gz GHKQDOSLAGYKCL-MLGOLLRUSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@H](NC(=O)N1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001479304284 1397673615 /nfs/dbraw/zinc/67/36/15/1397673615.db2.gz DGXGNUYMTNEYIU-BIMULSAOSA-N 0 0 325.315 2.952 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1ncccn1)C1CC1 ZINC001479391979 1397712002 /nfs/dbraw/zinc/71/20/02/1397712002.db2.gz MICWWCUPPNNBCD-HNNXBMFYSA-N 0 0 341.371 2.678 10 5 EFBERN CCC[C@H](C)[C@H](CO)NC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001479445763 1397727132 /nfs/dbraw/zinc/72/71/32/1397727132.db2.gz ITHFXQFPOXGNKT-YDHLFZDLSA-N 0 0 337.420 2.795 10 5 EFBERN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001479551359 1397754923 /nfs/dbraw/zinc/75/49/23/1397754923.db2.gz PINFUJCPTABHTC-RBSFLKMASA-N 0 0 344.415 2.615 10 5 EFBERN O=C(CCCC1CC1)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001494585945 1399389386 /nfs/dbraw/zinc/38/93/86/1399389386.db2.gz WJRDUVUHSPVQTN-UHFFFAOYSA-N 0 0 331.416 2.723 10 5 EFBERN CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(CF)CCC1 ZINC001496784719 1400981989 /nfs/dbraw/zinc/98/19/89/1400981989.db2.gz AIAHOACSRATTAV-UHFFFAOYSA-N 0 0 337.395 2.625 10 5 EFBERN O=C(/C=C/c1ccco1)NC/C=C/CNCc1csc([N+](=O)[O-])c1 ZINC001497520074 1401433246 /nfs/dbraw/zinc/43/32/46/1401433246.db2.gz ZRIAFIUDHQGNOX-DJKAJFNQSA-N 0 0 347.396 2.725 10 5 EFBERN O=C(/C=C\c1ccco1)NC/C=C/CNCc1csc([N+](=O)[O-])c1 ZINC001497520075 1401433607 /nfs/dbraw/zinc/43/36/07/1401433607.db2.gz ZRIAFIUDHQGNOX-NRUGGMJCSA-N 0 0 347.396 2.725 10 5 EFBERN O=C(NC/C=C/CNCc1csc([N+](=O)[O-])c1)C1C=CC=CC=C1 ZINC001497589893 1401477731 /nfs/dbraw/zinc/47/77/31/1401477731.db2.gz CVYMEBOXYWPPAO-AATRIKPKSA-N 0 0 345.424 2.717 10 5 EFBERN CCCCOCCn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001500619357 1403254455 /nfs/dbraw/zinc/25/44/55/1403254455.db2.gz POBAAFMQWRGWOO-UHFFFAOYSA-N 0 0 347.419 2.948 10 5 EFBERN Nc1ncc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC001546325048 1412878603 /nfs/dbraw/zinc/87/86/03/1412878603.db2.gz IXRSVVHMCAJJOA-UHFFFAOYSA-N 0 0 346.774 2.687 10 5 EFBERN CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001556066163 1415051338 /nfs/dbraw/zinc/05/13/38/1415051338.db2.gz CROCLOAOIHIVLA-UHFFFAOYSA-N 0 0 328.368 2.937 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncnc2ccsc21 ZINC001556084283 1415052574 /nfs/dbraw/zinc/05/25/74/1415052574.db2.gz JLZRRIBNANAWLI-UHFFFAOYSA-N 0 0 340.324 2.728 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1nccc2cccnc21 ZINC001556084380 1415052795 /nfs/dbraw/zinc/05/27/95/1415052795.db2.gz MTXYNWWRXRJHLS-UHFFFAOYSA-N 0 0 334.295 2.667 10 5 EFBERN CC[C@@H]1Cc2ccccc2CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001556111150 1415053964 /nfs/dbraw/zinc/05/39/64/1415053964.db2.gz OOTQFTZMGJJGFV-CQSZACIVSA-N 0 0 326.356 2.549 10 5 EFBERN Cc1noc(C2(C)CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC001556160901 1415057139 /nfs/dbraw/zinc/05/71/39/1415057139.db2.gz VAEWYMUOHJTIOB-UHFFFAOYSA-N 0 0 348.334 2.619 10 5 EFBERN CSc1c(F)cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1F ZINC001556173935 1415057634 /nfs/dbraw/zinc/05/76/34/1415057634.db2.gz SYYLBHHGEHDWMP-UHFFFAOYSA-N 0 0 340.311 2.824 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CCC(C)(C)C ZINC001556363892 1415066299 /nfs/dbraw/zinc/06/62/99/1415066299.db2.gz YNAOLIICOMJSBI-LLVKDONJSA-N 0 0 326.368 2.959 10 5 EFBERN O=C(NCc1nccn1-c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC001556380229 1415066744 /nfs/dbraw/zinc/06/67/44/1415066744.db2.gz BCOBRZTZHZEMCJ-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(CF)cc1 ZINC001556395291 1415067107 /nfs/dbraw/zinc/06/71/07/1415067107.db2.gz SRANITLPKBHOQZ-UHFFFAOYSA-N 0 0 328.303 2.871 10 5 EFBERN CC(C)(C)CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC001556391946 1415067118 /nfs/dbraw/zinc/06/71/18/1415067118.db2.gz ZUPYJEOCWSBERA-LLVKDONJSA-N 0 0 341.795 2.658 10 5 EFBERN CC[C@@H](C)[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC001556395006 1415067127 /nfs/dbraw/zinc/06/71/27/1415067127.db2.gz KFAYEFIEIYRNIZ-CLZZGJSISA-N 0 0 328.678 2.678 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccncc1C(F)(F)F ZINC001556410346 1415068671 /nfs/dbraw/zinc/06/86/71/1415068671.db2.gz JDDIFLWGYGEJAG-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN COc1cc(SC)ccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001556429100 1415069087 /nfs/dbraw/zinc/06/90/87/1415069087.db2.gz WSYAEFVYHRLABJ-UHFFFAOYSA-N 0 0 342.764 2.954 10 5 EFBERN COc1cc(C(=O)Nc2cccc(C3OCCO3)c2)ccc1[N+](=O)[O-] ZINC001556488621 1415072771 /nfs/dbraw/zinc/07/27/71/1415072771.db2.gz JCYIXOCLNIBWKS-UHFFFAOYSA-N 0 0 344.323 2.901 10 5 EFBERN CC[C@@H](C)N(CC(=O)OC)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001556569531 1415075959 /nfs/dbraw/zinc/07/59/59/1415075959.db2.gz BYTNXSXHKLNNHT-SNVBAGLBSA-N 0 0 342.779 2.591 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC001556652810 1415080708 /nfs/dbraw/zinc/08/07/08/1415080708.db2.gz QCAMTJBDXATGFX-HOCLYGCPSA-N 0 0 341.367 2.948 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCn2ncnc21 ZINC001556690594 1415081727 /nfs/dbraw/zinc/08/17/27/1415081727.db2.gz JPEADMATNIWPCE-LBPRGKRZSA-N 0 0 344.375 2.523 10 5 EFBERN COc1cccc(C(=O)N2CC(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001556746201 1415086639 /nfs/dbraw/zinc/08/66/39/1415086639.db2.gz SDJDMPCZFRZIBO-UHFFFAOYSA-N 0 0 330.315 2.982 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC/C=C/c1cccnc1 ZINC001556826390 1415090258 /nfs/dbraw/zinc/09/02/58/1415090258.db2.gz IXFFAERFDGZLHQ-GQCTYLIASA-N 0 0 327.340 2.588 10 5 EFBERN COc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(C)c1OC ZINC001556894462 1415094049 /nfs/dbraw/zinc/09/40/49/1415094049.db2.gz IOQUCXFHJDGLEY-UHFFFAOYSA-N 0 0 331.328 2.755 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001556924760 1415095888 /nfs/dbraw/zinc/09/58/88/1415095888.db2.gz FRNMIOJYXKOPQL-ZCFIWIBFSA-N 0 0 337.767 2.661 10 5 EFBERN CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccn1 ZINC001556929824 1415096674 /nfs/dbraw/zinc/09/66/74/1415096674.db2.gz FRBVYCXIPFBJOA-LBPRGKRZSA-N 0 0 343.339 2.642 10 5 EFBERN COCc1cc(O)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001556982513 1415099227 /nfs/dbraw/zinc/09/92/27/1415099227.db2.gz OOQDOBKGQJBVMN-UHFFFAOYSA-N 0 0 330.340 2.936 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC001556984863 1415099336 /nfs/dbraw/zinc/09/93/36/1415099336.db2.gz DIACOYNSAVHYMU-DEOSSOPVSA-N 0 0 349.368 2.891 10 5 EFBERN COc1c(C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)cccc1[N+](=O)[O-] ZINC001556986585 1415100105 /nfs/dbraw/zinc/10/01/05/1415100105.db2.gz YULXLBTVQGBLNA-DEOSSOPVSA-N 0 0 349.368 2.891 10 5 EFBERN CC[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC001557036896 1415102283 /nfs/dbraw/zinc/10/22/83/1415102283.db2.gz PMXBYWRMAYJMCL-DOMZBBRYSA-N 0 0 328.796 2.702 10 5 EFBERN COC1([C@H](C)NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCC1 ZINC001557044430 1415102963 /nfs/dbraw/zinc/10/29/63/1415102963.db2.gz OYVAECQZJYTGQF-QMMMGPOBSA-N 0 0 327.768 2.518 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC001557085220 1415104080 /nfs/dbraw/zinc/10/40/80/1415104080.db2.gz FQJFCZVMMOGVDM-HNNXBMFYSA-N 0 0 329.356 2.577 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(CO)ccn1 ZINC001557117009 1415106342 /nfs/dbraw/zinc/10/63/42/1415106342.db2.gz DEJCEUDREBAFMX-SNVBAGLBSA-N 0 0 333.369 2.601 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001557127567 1415106907 /nfs/dbraw/zinc/10/69/07/1415106907.db2.gz QUYUHJSMUYYVRP-HOCLYGCPSA-N 0 0 333.294 2.683 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001557128998 1415107116 /nfs/dbraw/zinc/10/71/16/1415107116.db2.gz REGZPICSYVFDLB-WBVHZDCISA-N 0 0 330.315 2.727 10 5 EFBERN O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001557129298 1415107217 /nfs/dbraw/zinc/10/72/17/1415107217.db2.gz WELTUJQZLCDOKI-GOEBONIOSA-N 0 0 345.286 2.870 10 5 EFBERN CCc1csc([C@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC001557139977 1415107579 /nfs/dbraw/zinc/10/75/79/1415107579.db2.gz XUMLJYFNXHZIIT-QMMMGPOBSA-N 0 0 349.368 2.833 10 5 EFBERN Cc1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1 ZINC001557136932 1415107793 /nfs/dbraw/zinc/10/77/93/1415107793.db2.gz DMGZZYLKVOHKHQ-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN CCc1csc([C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1 ZINC001557138673 1415107837 /nfs/dbraw/zinc/10/78/37/1415107837.db2.gz AQNSUJBEWZVETC-SECBINFHSA-N 0 0 334.401 2.995 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001557189966 1415111296 /nfs/dbraw/zinc/11/12/96/1415111296.db2.gz RKZIJEICXKKLCV-VXGBXAGGSA-N 0 0 329.331 2.850 10 5 EFBERN Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001557195109 1415111346 /nfs/dbraw/zinc/11/13/46/1415111346.db2.gz QCPPWXJXPNIRSQ-BZNIZROVSA-N 0 0 332.331 2.894 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2c(c1)CCOC2 ZINC001557207345 1415112121 /nfs/dbraw/zinc/11/21/21/1415112121.db2.gz BYFCGNSNTWOOSI-UHFFFAOYSA-N 0 0 348.305 2.876 10 5 EFBERN O=C(Nc1ccc(CO)cc1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001557225691 1415113927 /nfs/dbraw/zinc/11/39/27/1415113927.db2.gz YTEVQDOPZRVRCA-UHFFFAOYSA-N 0 0 338.323 2.525 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001557271262 1415116342 /nfs/dbraw/zinc/11/63/42/1415116342.db2.gz POCSCLPKTLTUAH-GAJTVXKRSA-N 0 0 342.754 2.614 10 5 EFBERN CCN1[C@H](C)CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001557270412 1415116401 /nfs/dbraw/zinc/11/64/01/1415116401.db2.gz JARGMRVQMRGVML-TXEJJXNPSA-N 0 0 341.358 2.628 10 5 EFBERN Cc1ccc2ccnc(NC(=O)CCn3cc([N+](=O)[O-])cn3)c2c1 ZINC001557280690 1415117499 /nfs/dbraw/zinc/11/74/99/1415117499.db2.gz SUTYLUWVGFZCQU-UHFFFAOYSA-N 0 0 325.328 2.677 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001557308377 1415119796 /nfs/dbraw/zinc/11/97/96/1415119796.db2.gz MDZXDGQYYDRVKB-JTQLQIEISA-N 0 0 348.305 2.684 10 5 EFBERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1CC2CCC1CC2 ZINC001557324616 1415120382 /nfs/dbraw/zinc/12/03/82/1415120382.db2.gz UUPZJMUMHTWSGX-SEZDTBSWSA-N 0 0 326.784 2.916 10 5 EFBERN O=C(Nc1cc2oc(=O)[nH]c2cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001557436204 1415125561 /nfs/dbraw/zinc/12/55/61/1415125561.db2.gz BPQIGIMNGCTFIK-UHFFFAOYSA-N 0 0 335.222 2.972 10 5 EFBERN COc1cc(C(=O)N[C@H]2CCc3ccc(O)cc32)c([N+](=O)[O-])cc1F ZINC001557554700 1415131188 /nfs/dbraw/zinc/13/11/88/1415131188.db2.gz MSUGGJARKVRIKN-AWEZNQCLSA-N 0 0 346.314 2.865 10 5 EFBERN Cc1cccc2c1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)CO2 ZINC001557621044 1415134482 /nfs/dbraw/zinc/13/44/82/1415134482.db2.gz ZJCUPAPKINQSDC-NSHDSACASA-N 0 0 330.315 2.776 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001557653834 1415136627 /nfs/dbraw/zinc/13/66/27/1415136627.db2.gz QORIGBJEFOIWSV-UHFFFAOYSA-N 0 0 339.273 2.838 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCOc2cc(F)ccc2C1 ZINC001557771998 1415144167 /nfs/dbraw/zinc/14/41/67/1415144167.db2.gz NDSFTCVOJALSBD-UHFFFAOYSA-N 0 0 330.315 2.698 10 5 EFBERN C[C@H]1Cc2cnccc2N1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001557841797 1415147439 /nfs/dbraw/zinc/14/74/39/1415147439.db2.gz NUDUYMDCZKROKX-LBPRGKRZSA-N 0 0 349.350 2.767 10 5 EFBERN CN1Cc2ccccc2[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557983162 1415153927 /nfs/dbraw/zinc/15/39/27/1415153927.db2.gz ZMQPFKOZARBVKF-MRXNPFEDSA-N 0 0 329.331 2.650 10 5 EFBERN C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)Cc2cncnc21 ZINC001558081813 1415158910 /nfs/dbraw/zinc/15/89/10/1415158910.db2.gz WQGDWMVGQZAEGB-SNVBAGLBSA-N 0 0 337.339 2.626 10 5 EFBERN CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](CO)c1ccccc1 ZINC001558098907 1415160288 /nfs/dbraw/zinc/16/02/88/1415160288.db2.gz OVNUQVUJJUWKII-INIZCTEOSA-N 0 0 332.331 2.930 10 5 EFBERN COc1ccc(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1O ZINC001558205139 1415166167 /nfs/dbraw/zinc/16/61/67/1415166167.db2.gz USRKZSRJIVUVHM-UHFFFAOYSA-N 0 0 330.340 2.590 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001558223617 1415166764 /nfs/dbraw/zinc/16/67/64/1415166764.db2.gz QVJJDFQPVQYVOW-JTQLQIEISA-N 0 0 334.763 2.767 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc2nc[nH]c(=O)c21 ZINC001558284641 1415169494 /nfs/dbraw/zinc/16/94/94/1415169494.db2.gz CVZWJAUTCUFOHY-UHFFFAOYSA-N 0 0 342.286 2.943 10 5 EFBERN O=C(Nc1cccc2nc[nH]c(=O)c21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001558287080 1415170064 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2.892 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ncon3)C2)c1 ZINC001558450847 1415180738 /nfs/dbraw/zinc/18/07/38/1415180738.db2.gz YMLKVWSUKPUWNN-SNVBAGLBSA-N 0 0 348.384 2.720 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N=[S@@]1(=O)CCc2ccccc21 ZINC001558468106 1415182108 /nfs/dbraw/zinc/18/21/08/1415182108.db2.gz DWBDDZGMCKOCDH-XMMPIXPASA-N 0 0 345.380 2.617 10 5 EFBERN Cc1cc(F)c(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c(F)c1 ZINC001558510794 1415184152 /nfs/dbraw/zinc/18/41/52/1415184152.db2.gz BTTSXUDAFBUBEL-UHFFFAOYSA-N 0 0 339.273 2.833 10 5 EFBERN O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC001558520372 1415184735 /nfs/dbraw/zinc/18/47/35/1415184735.db2.gz JFVSPFAKCOHPDU-UHFFFAOYSA-N 0 0 338.241 2.625 10 5 EFBERN Cc1cc(C(=O)NCCc2c(F)cc(O)cc2F)cc([N+](=O)[O-])c1 ZINC001558515818 1415184944 /nfs/dbraw/zinc/18/49/44/1415184944.db2.gz KQGJVHQZWLXYPB-UHFFFAOYSA-N 0 0 336.294 2.860 10 5 EFBERN COc1nscc1CN(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001558565967 1415189655 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338.791 2.818 10 5 EFBERN CCC1(CC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])COC1 ZINC001558939094 1415212871 /nfs/dbraw/zinc/21/28/71/1415212871.db2.gz HWHAVUZHVJZAIJ-UHFFFAOYSA-N 0 0 335.404 2.638 10 5 EFBERN O=C(NCc1csc(=O)[nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001558946920 1415212910 /nfs/dbraw/zinc/21/29/10/1415212910.db2.gz XDZCWZRXORCTEL-UHFFFAOYSA-N 0 0 347.274 2.706 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(c2ccc(Cl)cc2)C1 ZINC001558982433 1415215386 /nfs/dbraw/zinc/21/53/86/1415215386.db2.gz ZGZSZPMBESPLOW-UHFFFAOYSA-N 0 0 333.731 2.588 10 5 EFBERN O=C(NCCCc1cccc(Cl)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001558973692 1415215845 /nfs/dbraw/zinc/21/58/45/1415215845.db2.gz BQIVLKUDMWVBSD-UHFFFAOYSA-N 0 0 335.747 2.711 10 5 EFBERN O=C(Nc1ccc2ccc(Cl)nc2n1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001559020787 1415218590 /nfs/dbraw/zinc/21/85/90/1415218590.db2.gz RQARBYFFPXKUKG-UHFFFAOYSA-N 0 0 345.702 2.544 10 5 EFBERN O=C1OCCN1c1cccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001559064914 1415222304 /nfs/dbraw/zinc/22/23/04/1415222304.db2.gz GEQCCJSCTNVNLG-UHFFFAOYSA-N 0 0 347.302 2.926 10 5 EFBERN Cc1nc(N[C@@H](c2nccn2C)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001559058081 1415222386 /nfs/dbraw/zinc/22/23/86/1415222386.db2.gz YKDLLPBGGFVAFX-CQSZACIVSA-N 0 0 342.334 2.767 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H](O)c1cccc(F)c1 ZINC001559085175 1415223603 /nfs/dbraw/zinc/22/36/03/1415223603.db2.gz BAWXYFBVPUGKAP-INIZCTEOSA-N 0 0 345.305 2.989 10 5 EFBERN CCOc1cc2c(cc1OCC)CN(c1nn(C)cc1[N+](=O)[O-])CC2 ZINC001559088709 1415223815 /nfs/dbraw/zinc/22/38/15/1415223815.db2.gz KVAQMKRWKYCRMV-UHFFFAOYSA-N 0 0 346.387 2.688 10 5 EFBERN CN(C[C@H]1CCCOC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559108303 1415224023 /nfs/dbraw/zinc/22/40/23/1415224023.db2.gz HYZFCCDXCHCMAR-LLVKDONJSA-N 0 0 346.343 2.914 10 5 EFBERN CCCOc1ccnc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)n1 ZINC001559102063 1415224348 /nfs/dbraw/zinc/22/43/48/1415224348.db2.gz FDXYCLUIJORSLV-UHFFFAOYSA-N 0 0 333.300 2.753 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NC[C@@H](O)c1ccccc1Cl ZINC001559110473 1415224528 /nfs/dbraw/zinc/22/45/28/1415224528.db2.gz CPZKNMOICXCAGU-GFCCVEGCSA-N 0 0 328.155 2.864 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@](C)(O)CSC)cc1C ZINC001559115389 1415224976 /nfs/dbraw/zinc/22/49/76/1415224976.db2.gz VQCAEYXEGQFYHS-OAHLLOKOSA-N 0 0 342.417 2.606 10 5 EFBERN NC(=O)C[C@@H]1CCCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001559128081 1415225580 /nfs/dbraw/zinc/22/55/80/1415225580.db2.gz HPJDDGDRADNAHU-JTQLQIEISA-N 0 0 348.790 2.888 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCc1nc2cc(F)ccc2[nH]1 ZINC001559128268 1415225931 /nfs/dbraw/zinc/22/59/31/1415225931.db2.gz OFGUBESSFIPBIV-UHFFFAOYSA-N 0 0 335.726 2.735 10 5 EFBERN CN(CC1(O)CCCC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559147239 1415226424 /nfs/dbraw/zinc/22/64/24/1415226424.db2.gz MHYAYFCROJBXEI-UHFFFAOYSA-N 0 0 346.343 2.793 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3cccc(F)n3)c2c1 ZINC001559145271 1415226450 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CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccnc(Cl)c1 ZINC001559209568 1415230081 /nfs/dbraw/zinc/23/00/81/1415230081.db2.gz GDAXCAAIKULKAS-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(SCC(N)=O)c([N+](=O)[O-])c2)cc1 ZINC001559211904 1415230276 /nfs/dbraw/zinc/23/02/76/1415230276.db2.gz UBMWLCLLMCABMQ-UHFFFAOYSA-N 0 0 345.380 2.733 10 5 EFBERN COC(=O)Cc1ccccc1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001559222470 1415230890 /nfs/dbraw/zinc/23/08/90/1415230890.db2.gz BCMKSPRBQJTXMB-UHFFFAOYSA-N 0 0 345.311 2.831 10 5 EFBERN CCC(CC)(CNc1c([N+](=O)[O-])cnn1C)C(=O)OC(C)(C)C ZINC001559217933 1415230918 /nfs/dbraw/zinc/23/09/18/1415230918.db2.gz DIDGQCBPUKQSER-UHFFFAOYSA-N 0 0 326.397 2.888 10 5 EFBERN C[C@@H](O)[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1F ZINC001559227745 1415231395 /nfs/dbraw/zinc/23/13/95/1415231395.db2.gz BSDYTXUINIYKFX-YGRLFVJLSA-N 0 0 330.319 2.916 10 5 EFBERN COc1ncc(CCNc2ccc3cnccc3c2[N+](=O)[O-])cn1 ZINC001559248673 1415233458 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O=C1CN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)CN1 ZINC001559286021 1415236300 /nfs/dbraw/zinc/23/63/00/1415236300.db2.gz KDWRNOZJDXZYEE-OAHLLOKOSA-N 0 0 331.759 2.926 10 5 EFBERN CS(C)(=O)=NCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001559284086 1415236396 /nfs/dbraw/zinc/23/63/96/1415236396.db2.gz MVLFRVSIJXDOFU-UHFFFAOYSA-N 0 0 325.312 2.753 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1cccc(CO)c1 ZINC001559279952 1415236410 /nfs/dbraw/zinc/23/64/10/1415236410.db2.gz KTYXHZKGAQVQCV-UHFFFAOYSA-N 0 0 339.394 2.642 10 5 EFBERN CCc1c[nH]c(CNc2ccc(C=CC(=O)OC)cc2[N+](=O)[O-])n1 ZINC001559278989 1415236453 /nfs/dbraw/zinc/23/64/53/1415236453.db2.gz ZOJMEGUGKGEYQL-ALCCZGGFSA-N 0 0 330.344 2.679 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CCCC[C@@H]3O)c2c1 ZINC001559292518 1415237034 /nfs/dbraw/zinc/23/70/34/1415237034.db2.gz VIQRHKRYINAHFM-SJCJKPOMSA-N 0 0 345.399 2.927 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@H](c3cnccn3)C1)CCCC2 ZINC001559287982 1415237046 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347.396 2.714 10 5 EFBERN CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CO1 ZINC001559295390 1415238102 /nfs/dbraw/zinc/23/81/02/1415238102.db2.gz WAYCOQMNVGXSJM-SECBINFHSA-N 0 0 344.755 2.606 10 5 EFBERN COC(=O)c1ccc2cc(CCNc3ncc([N+](=O)[O-])cn3)oc2c1 ZINC001559300291 1415238291 /nfs/dbraw/zinc/23/82/91/1415238291.db2.gz KAWBFMVCODPYKH-UHFFFAOYSA-N 0 0 342.311 2.572 10 5 EFBERN COCCNc1nnc(SCc2ccc([N+](=O)[O-])c(F)c2)s1 ZINC001559317606 1415239638 /nfs/dbraw/zinc/23/96/38/1415239638.db2.gz HFRPQSYRQGWJFL-UHFFFAOYSA-N 0 0 344.393 2.936 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@H]1COc2ccccc2O1 ZINC001559337526 1415239721 /nfs/dbraw/zinc/23/97/21/1415239721.db2.gz NDXYDIOEAGQLEI-CYBMUJFWSA-N 0 0 349.364 2.517 10 5 EFBERN Cc1cncc(-c2nc(COc3ccc(C=O)cc3[N+](=O)[O-])no2)c1 ZINC001559322225 1415239752 /nfs/dbraw/zinc/23/97/52/1415239752.db2.gz ZAQUQAGKRZDJFF-UHFFFAOYSA-N 0 0 340.295 2.740 10 5 EFBERN CC(=O)c1cccc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001559366825 1415241168 /nfs/dbraw/zinc/24/11/68/1415241168.db2.gz MLVNBIFFYHPHDY-UHFFFAOYSA-N 0 0 339.307 2.662 10 5 EFBERN CS(=O)(=O)c1cccc(OCc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001559360432 1415241404 /nfs/dbraw/zinc/24/14/04/1415241404.db2.gz QEXNYZLSDWPCII-UHFFFAOYSA-N 0 0 325.317 2.716 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC001559370811 1415241779 /nfs/dbraw/zinc/24/17/79/1415241779.db2.gz NPYGZTPKQOLTSA-UHFFFAOYSA-N 0 0 342.315 2.572 10 5 EFBERN CC(C)OCc1noc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC001559370664 1415241958 /nfs/dbraw/zinc/24/19/58/1415241958.db2.gz IRXJUDUKFNIAMN-UHFFFAOYSA-N 0 0 343.343 2.815 10 5 EFBERN COC(=O)c1cncc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c1 ZINC001559394104 1415242466 /nfs/dbraw/zinc/24/24/66/1415242466.db2.gz QJKUADGYOASLQI-UHFFFAOYSA-N 0 0 338.323 2.688 10 5 EFBERN COc1cc(COc2c(Br)cccc2[N+](=O)[O-])on1 ZINC001559384265 1415242876 /nfs/dbraw/zinc/24/28/76/1415242876.db2.gz DBOHUYYXFQKGQT-UHFFFAOYSA-N 0 0 329.106 2.933 10 5 EFBERN O=[N+]([O-])c1cn(Cc2ccc([N+](=O)[O-])cc2)nc1-c1ccc(F)cn1 ZINC001559417845 1415243870 /nfs/dbraw/zinc/24/38/70/1415243870.db2.gz JVBDEZMKHJHFPT-UHFFFAOYSA-N 0 0 343.274 2.949 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1)c1ccccc1 ZINC001559418011 1415243931 /nfs/dbraw/zinc/24/39/31/1415243931.db2.gz RJSMVWMAXFOWCJ-UHFFFAOYSA-N 0 0 326.287 2.875 10 5 EFBERN COC(=O)c1coc(C(=O)COc2ccc([N+](=O)[O-])c(F)c2F)c1 ZINC001559414561 1415244003 /nfs/dbraw/zinc/24/40/03/1415244003.db2.gz HYUYWAXWLVAZHL-UHFFFAOYSA-N 0 0 341.222 2.514 10 5 EFBERN COc1ccc(OCCOc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001559437885 1415245835 /nfs/dbraw/zinc/24/58/35/1415245835.db2.gz KEHYBUFVMFZOSY-UHFFFAOYSA-N 0 0 334.284 2.969 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2csc(Br)c2)c1=O ZINC001559449516 1415246572 /nfs/dbraw/zinc/24/65/72/1415246572.db2.gz WYZBQBZSSWARHB-UHFFFAOYSA-N 0 0 345.174 2.637 10 5 EFBERN Cc1nc(Cl)n(Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC001559467914 1415247837 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CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@@]1(C)CC1(F)F ZINC001561441078 1415315880 /nfs/dbraw/zinc/31/58/80/1415315880.db2.gz NSMDXTWKTMVHNS-GFCCVEGCSA-N 0 0 349.311 2.551 10 5 EFBERN CC[C@@H](NC(=O)N1CC[C@@H](C)[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC001564377075 1415376292 /nfs/dbraw/zinc/37/62/92/1415376292.db2.gz ZMRYYEYSVNMTFU-IVMMDQJWSA-N 0 0 335.404 2.706 10 5 EFBERN CC1(C)CC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001564378395 1415376556 /nfs/dbraw/zinc/37/65/56/1415376556.db2.gz JNFGGJWXCYTQMU-GFCCVEGCSA-N 0 0 333.388 2.946 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001564529701 1415378728 /nfs/dbraw/zinc/37/87/28/1415378728.db2.gz LSNAPRSAPLAQOQ-ZJUUUORDSA-N 0 0 349.416 2.919 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001564529699 1415378864 /nfs/dbraw/zinc/37/88/64/1415378864.db2.gz LSNAPRSAPLAQOQ-UWVGGRQHSA-N 0 0 349.416 2.919 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC001565214551 1415391799 /nfs/dbraw/zinc/39/17/99/1415391799.db2.gz XBIJKXFDUUWKAH-NSHDSACASA-N 0 0 346.391 2.705 10 5 EFBERN CNc1cc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001565342726 1415394619 /nfs/dbraw/zinc/39/46/19/1415394619.db2.gz MNWCHAMWZHCCBS-NSHDSACASA-N 0 0 329.360 2.592 10 5 EFBERN C[C@H](CNC(=O)NC[C@]1(O)CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001565410767 1415395268 /nfs/dbraw/zinc/39/52/68/1415395268.db2.gz AMXZRISKZRZITG-PBFPGSCMSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@H](CNC(=O)NC[C@]1(O)CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001565410766 1415395603 /nfs/dbraw/zinc/39/56/03/1415395603.db2.gz AMXZRISKZRZITG-IIYDPXPESA-N 0 0 335.404 2.549 10 5 EFBERN C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC001565584356 1415405171 /nfs/dbraw/zinc/40/51/71/1415405171.db2.gz STOQUUKAMKSTFK-UHFFFAOYSA-N 0 0 335.404 2.637 10 5 EFBERN CC(C)(NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC001565738920 1415413174 /nfs/dbraw/zinc/41/31/74/1415413174.db2.gz OBUFLXCZCIAWLQ-UHFFFAOYSA-N 0 0 326.715 2.776 10 5 EFBERN CCc1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n(C)n1 ZINC001565760140 1415413928 /nfs/dbraw/zinc/41/39/28/1415413928.db2.gz VSUOQKJGGMMELV-UHFFFAOYSA-N 0 0 326.715 2.936 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCc2c1cccc2O ZINC001565755692 1415413954 /nfs/dbraw/zinc/41/39/54/1415413954.db2.gz YFVOOJHHTXXWEB-AWEZNQCLSA-N 0 0 330.315 2.786 10 5 EFBERN COC(=O)c1cc(NC(=O)c2c(C)cccc2O)cc([N+](=O)[O-])c1 ZINC001565986506 1415471010 /nfs/dbraw/zinc/47/10/10/1415471010.db2.gz ZNCPYQJTJRKKAF-UHFFFAOYSA-N 0 0 330.296 2.648 10 5 EFBERN CC(C)COC1CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001566133543 1415531297 /nfs/dbraw/zinc/53/12/97/1415531297.db2.gz KOFDGTKZKZNMBY-UHFFFAOYSA-N 0 0 343.383 2.827 10 5 EFBERN O=C(Nc1c(F)cccc1NC1CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566196512 1415534686 /nfs/dbraw/zinc/53/46/86/1415534686.db2.gz DNNGKDJAZOFCAV-UHFFFAOYSA-N 0 0 339.714 2.937 10 5 EFBERN CCCCCn1nc(C)cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566214687 1415535382 /nfs/dbraw/zinc/53/53/82/1415535382.db2.gz PNDKNDUQQWUDEI-UHFFFAOYSA-N 0 0 340.771 2.919 10 5 EFBERN O=C(NCC1(CCO)CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001566298004 1415538949 /nfs/dbraw/zinc/53/89/49/1415538949.db2.gz VWRLUXNRZVNASM-UHFFFAOYSA-N 0 0 326.780 2.921 10 5 EFBERN O=C(NC[C@H](O)C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001566332256 1415541074 /nfs/dbraw/zinc/54/10/74/1415541074.db2.gz AQLYSRLXGGMTFE-ZDUSSCGKSA-N 0 0 326.780 2.919 10 5 EFBERN COc1cccc([C@H](O)CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001566336641 1415541507 /nfs/dbraw/zinc/54/15/07/1415541507.db2.gz BWWJSZTZOPJYFY-OAHLLOKOSA-N 0 0 348.330 2.514 10 5 EFBERN COc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1CO ZINC001566372726 1415543579 /nfs/dbraw/zinc/54/35/79/1415543579.db2.gz HKQUIFZELMKNTM-HOTGVXAUSA-N 0 0 342.351 2.838 10 5 EFBERN CC(C)(C)C(=O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001566423852 1415546101 /nfs/dbraw/zinc/54/61/01/1415546101.db2.gz YNJIEZLXDWFKAU-UHFFFAOYSA-N 0 0 329.356 2.675 10 5 EFBERN CCOC(=O)CC[C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001566472949 1415569331 /nfs/dbraw/zinc/56/93/31/1415569331.db2.gz VVZTVFSIOKXSER-JTQLQIEISA-N 0 0 342.779 2.639 10 5 EFBERN COc1ccc(NC(=O)c2c[nH]nc2-c2ccco2)cc1[N+](=O)[O-] ZINC001566754000 1415762477 /nfs/dbraw/zinc/76/24/77/1415762477.db2.gz GGYVSWNJBABMRD-UHFFFAOYSA-N 0 0 328.284 2.839 10 5 EFBERN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC001566971446 1415883632 /nfs/dbraw/zinc/88/36/32/1415883632.db2.gz SVLWPLISLFJIRR-LLVKDONJSA-N 0 0 329.234 2.771 10 5 EFBERN CC(C)=C(C)CC(=O)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001566974621 1415884051 /nfs/dbraw/zinc/88/40/51/1415884051.db2.gz NJLYVNIRLVDHMH-HALDLXJZSA-N 0 0 349.456 2.949 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cnn2ccccc12 ZINC001587299225 1416026435 /nfs/dbraw/zinc/02/64/35/1416026435.db2.gz FLADTKYODJTXPD-UHFFFAOYSA-N 0 0 328.353 2.973 10 5 EFBERN Cc1ccc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001567316026 1416068263 /nfs/dbraw/zinc/06/82/63/1416068263.db2.gz IZQUTPZXVNKMQS-UHFFFAOYSA-N 0 0 327.384 2.765 10 5 EFBERN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001567377520 1416103058 /nfs/dbraw/zinc/10/30/58/1416103058.db2.gz KYDOFOOMYVYIGQ-ZBEGNZNMSA-N 0 0 326.356 2.795 10 5 EFBERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001567377518 1416103175 /nfs/dbraw/zinc/10/31/75/1416103175.db2.gz KYDOFOOMYVYIGQ-BZNIZROVSA-N 0 0 326.356 2.795 10 5 EFBERN O=C(NCc1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])s1 ZINC001567424983 1416132605 /nfs/dbraw/zinc/13/26/05/1416132605.db2.gz RGMXMHOVAWQUCT-UHFFFAOYSA-N 0 0 330.325 2.636 10 5 EFBERN Cc1cc(F)cc(C(=O)NC[Si](C)(C)c2ccccc2)c1[N+](=O)[O-] ZINC001567429489 1416134633 /nfs/dbraw/zinc/13/46/33/1416134633.db2.gz XTOWONCKFIYGST-UHFFFAOYSA-N 0 0 346.434 2.927 10 5 EFBERN CO[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC001567618546 1416212701 /nfs/dbraw/zinc/21/27/01/1416212701.db2.gz KHICQXMQAZJTRA-KRWDZBQOSA-N 0 0 348.399 2.780 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001567768600 1416277357 /nfs/dbraw/zinc/27/73/57/1416277357.db2.gz WLHMHHZMNADOSJ-HIFRSBDPSA-N 0 0 340.383 2.713 10 5 EFBERN O=C(CCC1CCCC1)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001567782079 1416283560 /nfs/dbraw/zinc/28/35/60/1416283560.db2.gz RAWQFYYGHZEBKE-UHFFFAOYSA-N 0 0 331.416 2.866 10 5 EFBERN CCCCC1(C(=O)NC2CN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001567805816 1416287737 /nfs/dbraw/zinc/28/77/37/1416287737.db2.gz NATYZJXMORUKBF-UHFFFAOYSA-N 0 0 331.416 2.866 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H]2C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC001568074199 1416397355 /nfs/dbraw/zinc/39/73/55/1416397355.db2.gz GZVICMJBDVRONU-PWSUYJOCSA-N 0 0 332.747 2.511 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC001568326848 1416477597 /nfs/dbraw/zinc/47/75/97/1416477597.db2.gz TUFIYKXFBULEJW-AWEZNQCLSA-N 0 0 348.330 2.596 10 5 EFBERN O=C(Cc1nnc(C2CC2)[nH]1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001645958701 1416592323 /nfs/dbraw/zinc/59/23/23/1416592323.db2.gz DCDWBAWLJICBAU-UHFFFAOYSA-N 0 0 341.371 2.502 10 5 EFBERN Cc1nc(C)c(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH]1 ZINC001646075093 1416609204 /nfs/dbraw/zinc/60/92/04/1416609204.db2.gz UUJPPSIFXQGTRP-UHFFFAOYSA-N 0 0 346.390 2.951 10 5 EFBERN CC[S@@](C)(=O)=NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001646112140 1416614650 /nfs/dbraw/zinc/61/46/50/1416614650.db2.gz CVPZSFHJFVWTFR-HSZRJFAPSA-N 0 0 328.393 2.939 10 5 EFBERN C[S@@](=O)(=NC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC001646119139 1416616026 /nfs/dbraw/zinc/61/60/26/1416616026.db2.gz MCSWTFDIKGDBJE-QFIPXVFZSA-N 0 0 325.390 2.748 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC001646123718 1416616218 /nfs/dbraw/zinc/61/62/18/1416616218.db2.gz MKEFWVCPJQMQEA-CQSZACIVSA-N 0 0 332.278 2.539 10 5 EFBERN CCOc1ccc(C(=O)NCCNc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC001646254505 1416639000 /nfs/dbraw/zinc/63/90/00/1416639000.db2.gz AGONEJKDVKYNIE-UHFFFAOYSA-N 0 0 344.371 2.539 10 5 EFBERN COc1cccc(OCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001646259513 1416639470 /nfs/dbraw/zinc/63/94/70/1416639470.db2.gz NXIQTFIHPUJXGB-UHFFFAOYSA-N 0 0 345.355 2.902 10 5 EFBERN Cc1ccc(NC(=O)c2cccnc2NC(C)C)c(N)c1[N+](=O)[O-] ZINC001646260255 1416639504 /nfs/dbraw/zinc/63/95/04/1416639504.db2.gz YOFJBCRHPFFNBO-UHFFFAOYSA-N 0 0 329.360 2.953 10 5 EFBERN Cc1noc([C@H](C)N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001684042101 1416691312 /nfs/dbraw/zinc/69/13/12/1416691312.db2.gz ANROSSCVIOIOFI-ZJUUUORDSA-N 0 0 333.348 2.750 10 5 EFBERN C[C@@H](NC(=O)N[C@H](C1CC1)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001684043763 1416691809 /nfs/dbraw/zinc/69/18/09/1416691809.db2.gz YFIGJSWATVMLCO-IAQYHMDHSA-N 0 0 335.404 2.752 10 5 EFBERN Cc1noc(C(C)(C)NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001684398196 1416720610 /nfs/dbraw/zinc/72/06/10/1416720610.db2.gz ZSBGJOSLTLZDAN-SNVBAGLBSA-N 0 0 347.375 2.624 10 5 EFBERN O=C(NCc1noc2ccccc12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001685133236 1416746409 /nfs/dbraw/zinc/74/64/09/1416746409.db2.gz ZQNGERMMICMFAR-UHFFFAOYSA-N 0 0 338.323 2.961 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1CCCC2(C1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC001685148967 1416751242 /nfs/dbraw/zinc/75/12/42/1416751242.db2.gz NGWJGYUCMUMNFR-TZMCWYRMSA-N 0 0 349.387 2.641 10 5 EFBERN Cc1noc(C(C)(C)NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001685240066 1416754948 /nfs/dbraw/zinc/75/49/48/1416754948.db2.gz VTPNJKFECTZQDF-SECBINFHSA-N 0 0 333.348 2.582 10 5 EFBERN Cc1cscc1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001686985756 1416826536 /nfs/dbraw/zinc/82/65/36/1416826536.db2.gz SGNFIYRUKXZKGY-UHFFFAOYSA-N 0 0 345.424 2.923 10 5 EFBERN CN(CCNC(=O)c1ccsc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC001689822381 1417082362 /nfs/dbraw/zinc/08/23/62/1417082362.db2.gz OPRWWSVRXHUUBJ-UHFFFAOYSA-N 0 0 340.792 2.571 10 5 EFBERN CN(CCNC(=O)c1ccc(F)s1)c1ccc([N+](=O)[O-])cc1F ZINC001690126947 1417160188 /nfs/dbraw/zinc/16/01/88/1417160188.db2.gz NTSGTHIUAACISY-UHFFFAOYSA-N 0 0 341.339 2.801 10 5 EFBERN CCc1nc(C)c(C(=O)NCCN(C)c2ccccc2[N+](=O)[O-])s1 ZINC001690127121 1417160246 /nfs/dbraw/zinc/16/02/46/1417160246.db2.gz CQZKWFLHDVOUTG-UHFFFAOYSA-N 0 0 348.428 2.788 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)c2ncoc2C(C)C)c1 ZINC001690130110 1417161418 /nfs/dbraw/zinc/16/14/18/1417161418.db2.gz ZZHDARDXWOIXFI-UHFFFAOYSA-N 0 0 346.387 2.881 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2ncoc2C(C)C)ccc1[N+](=O)[O-] ZINC001690129728 1417161435 /nfs/dbraw/zinc/16/14/35/1417161435.db2.gz JQJYJANREGQHLV-UHFFFAOYSA-N 0 0 346.387 2.881 10 5 EFBERN CN(CCNC(=O)C(C)(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC001690213292 1417174556 /nfs/dbraw/zinc/17/45/56/1417174556.db2.gz SUMIUPBXXKBOHJ-UHFFFAOYSA-N 0 0 348.325 2.521 10 5 EFBERN CCOCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@H]1C[C@H]1C ZINC001696412866 1417293956 /nfs/dbraw/zinc/29/39/56/1417293956.db2.gz JEFJFPPEPIVOTC-DOMZBBRYSA-N 0 0 345.403 2.907 10 5 EFBERN CN(CCN(C)C(=O)CC(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001698994462 1417362280 /nfs/dbraw/zinc/36/22/80/1417362280.db2.gz MBKRTCYVKLJPLH-UHFFFAOYSA-N 0 0 329.347 2.530 10 5 EFBERN CCCC1(C(=O)N(C)C2CN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001699719551 1417461557 /nfs/dbraw/zinc/46/15/57/1417461557.db2.gz JXETWBYWKKQMRX-UHFFFAOYSA-N 0 0 337.445 2.879 10 5 EFBERN Cc1coc(C)c1C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001716680042 1418956716 /nfs/dbraw/zinc/95/67/16/1418956716.db2.gz KGBGZNBBAODXJY-UHFFFAOYSA-N 0 0 349.412 2.918 10 5 EFBERN C/C(=C/C(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001716737399 1418985579 /nfs/dbraw/zinc/98/55/79/1418985579.db2.gz WJPBYBRDTCPPHX-LCYFTJDESA-N 0 0 329.400 2.594 10 5 EFBERN CN(C(=O)/C=C\C(C)(C)C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001723741432 1424572440 /nfs/dbraw/zinc/57/24/40/1424572440.db2.gz HXSCDAZJYYPJJL-WAYWQWQTSA-N 0 0 337.445 2.901 10 5 EFBERN CN(C(=O)C(C)(C)C(F)F)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001723794395 1424580722 /nfs/dbraw/zinc/58/07/22/1424580722.db2.gz GPMLUMGWKLUIIE-UHFFFAOYSA-N 0 0 341.358 2.529 10 5 EFBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSCC1 ZINC001728112011 1426311846 /nfs/dbraw/zinc/31/18/46/1426311846.db2.gz BPZGMWXRSVYMKF-UHFFFAOYSA-N 0 0 333.417 2.817 10 5 EFBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(O)CCC1 ZINC001728269344 1426313185 /nfs/dbraw/zinc/31/31/85/1426313185.db2.gz GQFLAZXSOSMTEZ-UHFFFAOYSA-N 0 0 345.403 2.615 10 5 EFBERN O=C(Cn1cc(-c2ccccc2)nn1)OCc1ccc([N+](=O)[O-])cc1 ZINC000134636313 713292286 /nfs/dbraw/zinc/29/22/86/713292286.db2.gz XRRJIJYPMOJRBA-UHFFFAOYSA-N 0 0 338.323 2.597 10 5 EFBERN Cc1ccc(N2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1Br ZINC000804677074 713399350 /nfs/dbraw/zinc/39/93/50/713399350.db2.gz HQJFRZWRAMTFDM-JTQLQIEISA-N 0 0 329.194 2.873 10 5 EFBERN CC(C)(C)[C@H](O)C[C@@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804704791 713438533 /nfs/dbraw/zinc/43/85/33/713438533.db2.gz BDKYEEARWZGADJ-TVQRCGJNSA-N 0 0 339.417 2.774 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCCCC[C@H]3CCO)cc2N1 ZINC000804709141 713442697 /nfs/dbraw/zinc/44/26/97/713442697.db2.gz XAOLPCUFKZOZOH-ZDUSSCGKSA-N 0 0 333.388 2.611 10 5 EFBERN Cc1cc(N2CCO[C@]3(CCCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000804767957 713464137 /nfs/dbraw/zinc/46/41/37/713464137.db2.gz JQAQVGFVIYPTKF-OAHLLOKOSA-N 0 0 326.780 2.942 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCCOC3)C2)c(OC(F)F)c1 ZINC000804768383 713464176 /nfs/dbraw/zinc/46/41/76/713464176.db2.gz ZLQQJPNFZGGJBG-OAHLLOKOSA-N 0 0 344.314 2.582 10 5 EFBERN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)OCc1cccnc1[N+](=O)[O-] ZINC000924325558 713517962 /nfs/dbraw/zinc/51/79/62/713517962.db2.gz ZATCLLOUCNSLKJ-WDEREUQCSA-N 0 0 348.277 2.923 10 5 EFBERN C[C@H](COC(=O)C(C)(C)c1cccc(Br)c1)[N+](=O)[O-] ZINC000813104487 713522619 /nfs/dbraw/zinc/52/26/19/713522619.db2.gz NFJNSMQGCTWFCX-SECBINFHSA-N 0 0 330.178 2.935 10 5 EFBERN Cc1nc(SC(F)F)sc1CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813106410 713530300 /nfs/dbraw/zinc/53/03/00/713530300.db2.gz COTNSVHEBHREGX-YFKPBYRVSA-N 0 0 326.346 2.517 10 5 EFBERN C[C@@H](COC(=O)C1(c2ccc(Br)cc2)CC1)[N+](=O)[O-] ZINC000813111607 713551620 /nfs/dbraw/zinc/55/16/20/713551620.db2.gz VSKRANKCVKRLAY-VIFPVBQESA-N 0 0 328.162 2.689 10 5 EFBERN O=C1OC(c2cccnc2)=N/C1=C\c1cc([N+](=O)[O-])c(F)cc1F ZINC000255061269 713555632 /nfs/dbraw/zinc/55/56/32/713555632.db2.gz OTGOTHGNRYNKDD-QCDXTXTGSA-N 0 0 331.234 2.613 10 5 EFBERN C[C@]1(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000177244270 717956113 /nfs/dbraw/zinc/95/61/13/717956113.db2.gz LUAHJMPEFQJFBX-MRXNPFEDSA-N 0 0 331.328 2.506 10 5 EFBERN O=C(NCc1cscn1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000050408699 714324059 /nfs/dbraw/zinc/32/40/59/714324059.db2.gz OPOAVFNTQMRJSV-UHFFFAOYSA-N 0 0 346.412 2.972 10 5 EFBERN C[C@H](NC(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccn1 ZINC000096879167 714515212 /nfs/dbraw/zinc/51/52/12/714515212.db2.gz URGMWSUVYZJLTF-GZTOBOFZSA-N 0 0 341.323 2.609 10 5 EFBERN CC1CCN(C(=O)/C=C\c2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000096911699 714533321 /nfs/dbraw/zinc/53/33/21/714533321.db2.gz BJVCFHFPDPYGCY-IHWYPQMZSA-N 0 0 332.356 2.733 10 5 EFBERN C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000003383694 714568380 /nfs/dbraw/zinc/56/83/80/714568380.db2.gz WERJVMKRRQEKCR-NSHDSACASA-N 0 0 346.314 2.768 10 5 EFBERN CN1C[C@@H](CCNc2cc(Br)ccc2[N+](=O)[O-])CC1=O ZINC000723396609 714605076 /nfs/dbraw/zinc/60/50/76/714605076.db2.gz ISUBQMFRYOJLGT-VIFPVBQESA-N 0 0 342.193 2.638 10 5 EFBERN CC(C)(C)c1noc(CCC(=O)OCc2cccc([N+](=O)[O-])c2)n1 ZINC000051166884 714739115 /nfs/dbraw/zinc/73/91/15/714739115.db2.gz QBURBURJIIHNFT-UHFFFAOYSA-N 0 0 333.344 2.951 10 5 EFBERN CC(=O)c1c(F)cncc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000891451249 714753708 /nfs/dbraw/zinc/75/37/08/714753708.db2.gz PJGPSEREIXIMGR-UHFFFAOYSA-N 0 0 344.346 2.658 10 5 EFBERN COc1ccc(COC(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000924360630 714785051 /nfs/dbraw/zinc/78/50/51/714785051.db2.gz PZBDLQGLUHQAMR-HIFRSBDPSA-N 0 0 335.356 2.994 10 5 EFBERN C/C(=C/C(=O)N1CCC(=O)C[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000891798581 715025571 /nfs/dbraw/zinc/02/55/71/715025571.db2.gz BLBRIVHULAKMLD-XSLBHYSZSA-N 0 0 328.368 2.968 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(=O)C[C@H]1C1CC1 ZINC000891808164 715032207 /nfs/dbraw/zinc/03/22/07/715032207.db2.gz KSYLLSNBJJQNHU-BBWFWOEESA-N 0 0 328.368 2.668 10 5 EFBERN CO[C@H]1CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000724141473 715194638 /nfs/dbraw/zinc/19/46/38/715194638.db2.gz JJKFZKWUDJYKBM-ONGXEEELSA-N 0 0 343.177 2.607 10 5 EFBERN O=[N+]([O-])c1nn(C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1Br ZINC000721500760 715198972 /nfs/dbraw/zinc/19/89/72/715198972.db2.gz GWHLMPQGKBSUEH-CAHLUQPWSA-N 0 0 344.087 2.664 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC000924058683 715252320 /nfs/dbraw/zinc/25/23/20/715252320.db2.gz QALXWANUJIEODK-IUODEOHRSA-N 0 0 346.383 2.908 10 5 EFBERN C[C@H](OC(=O)[C@H]1CCCN(C2CC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000924059874 715275171 /nfs/dbraw/zinc/27/51/71/715275171.db2.gz WOPNVTFDWQQBES-FZMZJTMJSA-N 0 0 332.356 2.600 10 5 EFBERN C[C@H](OC(=O)[C@@]1(C)C=CCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000924408372 715280348 /nfs/dbraw/zinc/28/03/48/715280348.db2.gz KOBUPEHEJCAHTQ-QFYYESIMSA-N 0 0 336.319 2.960 10 5 EFBERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000263560538 715293813 /nfs/dbraw/zinc/29/38/13/715293813.db2.gz REELMSLOISZZDK-LBPRGKRZSA-N 0 0 341.795 2.624 10 5 EFBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000120029981 715398514 /nfs/dbraw/zinc/39/85/14/715398514.db2.gz KSHVPPIYITWOMK-NSHDSACASA-N 0 0 329.356 2.586 10 5 EFBERN CCCCO[C@H]1C[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000176653399 715402243 /nfs/dbraw/zinc/40/22/43/715402243.db2.gz LWFIRYRGPXKTOZ-UONOGXRCSA-N 0 0 339.392 2.708 10 5 EFBERN CCCCO[C@@H]1C[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000176653352 715406006 /nfs/dbraw/zinc/40/60/06/715406006.db2.gz LWFIRYRGPXKTOZ-KGLIPLIRSA-N 0 0 339.392 2.708 10 5 EFBERN O=C(Nc1cnc(C2CC2)nc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124543791 715434865 /nfs/dbraw/zinc/43/48/65/715434865.db2.gz BBMCYRCDTTVQRL-UHFFFAOYSA-N 0 0 339.355 2.852 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@H]1C1OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000893449048 715518843 /nfs/dbraw/zinc/51/88/43/715518843.db2.gz CSLIHMGKUQAFEU-GJZGRUSLSA-N 0 0 349.387 2.593 10 5 EFBERN COC[C@H](COC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000893457498 715598837 /nfs/dbraw/zinc/59/88/37/715598837.db2.gz ZTDHLBIBAWLDTR-LLVKDONJSA-N 0 0 329.324 2.575 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000313070275 715652123 /nfs/dbraw/zinc/65/21/23/715652123.db2.gz YUAZUMPEJWEISZ-LLVKDONJSA-N 0 0 343.177 2.512 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724594995 715727765 /nfs/dbraw/zinc/72/77/65/715727765.db2.gz QYNOOBQVMPFMAM-DVYJOKAKSA-N 0 0 343.177 2.573 10 5 EFBERN Cc1nn(CCC(=O)OC[C@H](C)[C@H]2CCCCO2)c(C)c1[N+](=O)[O-] ZINC000893503012 716199384 /nfs/dbraw/zinc/19/93/84/716199384.db2.gz DWNFOCZEZDWWKC-SMDDNHRTSA-N 0 0 339.392 2.547 10 5 EFBERN Cc1cc(N[C@H]2CC23CC(O)C3)c(Br)cc1[N+](=O)[O-] ZINC000724918313 716391707 /nfs/dbraw/zinc/39/17/07/716391707.db2.gz ROAAWNWIWRGALK-CXJYDNQRSA-N 0 0 327.178 2.991 10 5 EFBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@@H](c2nccs2)C1 ZINC000893523039 716523563 /nfs/dbraw/zinc/52/35/63/716523563.db2.gz AMRYXEQUVBALQK-MRVPVSSYSA-N 0 0 339.323 2.959 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](c2nccs2)C1 ZINC000893525448 716570403 /nfs/dbraw/zinc/57/04/03/716570403.db2.gz OUSALUXGEYRJPT-GFCCVEGCSA-N 0 0 347.396 2.836 10 5 EFBERN C[C@@H](C(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000176822211 716702448 /nfs/dbraw/zinc/70/24/48/716702448.db2.gz IDHKMJZFHUJXEZ-VIFPVBQESA-N 0 0 325.321 2.669 10 5 EFBERN COc1cc(C(=O)O[C@@H]2CCn3c(C)cnc32)c([N+](=O)[O-])cc1F ZINC000893530417 716740929 /nfs/dbraw/zinc/74/09/29/716740929.db2.gz XNJWWZDGKUIXCG-GFCCVEGCSA-N 0 0 335.291 2.549 10 5 EFBERN Cc1ccc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1[N+](=O)[O-] ZINC000176940983 717157337 /nfs/dbraw/zinc/15/73/37/717157337.db2.gz AMUBRBHIWALLTO-DOMZBBRYSA-N 0 0 346.383 2.908 10 5 EFBERN COc1ccc2c(c1)ncn(Cc1cc(F)ccc1[N+](=O)[O-])c2=O ZINC000179638934 717823453 /nfs/dbraw/zinc/82/34/53/717823453.db2.gz BRRWYTBPCMHEAM-UHFFFAOYSA-N 0 0 329.287 2.501 10 5 EFBERN CC1(C)CC[C@@H](OC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1=O ZINC000840572543 718081511 /nfs/dbraw/zinc/08/15/11/718081511.db2.gz JRVPQSYOSMNTEZ-GFCCVEGCSA-N 0 0 327.283 2.716 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000066518643 718241452 /nfs/dbraw/zinc/24/14/52/718241452.db2.gz BNPYCXODQRBRFI-ZIAGYGMSSA-N 0 0 333.319 2.586 10 5 EFBERN C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000066546505 718246830 /nfs/dbraw/zinc/24/68/30/718246830.db2.gz AKMHHNDQCHBXTM-SNVBAGLBSA-N 0 0 334.328 2.625 10 5 EFBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@@]12CCO[C@H]1CCCC2 ZINC000924218920 718592966 /nfs/dbraw/zinc/59/29/66/718592966.db2.gz FJLANFLVLDAXSR-RDJZCZTQSA-N 0 0 335.356 2.866 10 5 EFBERN O=C(Cn1ncc2ccccc21)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000107096725 718750310 /nfs/dbraw/zinc/75/03/10/718750310.db2.gz WRVAASZIAFDVII-UHFFFAOYSA-N 0 0 332.266 2.861 10 5 EFBERN CC[S@](C)(=O)=NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000925819410 719000332 /nfs/dbraw/zinc/00/03/32/719000332.db2.gz HDUOKWUCAPFEMC-IBGZPJMESA-N 0 0 349.206 2.544 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2ncccn2)CCC1 ZINC000893656995 719178072 /nfs/dbraw/zinc/17/80/72/719178072.db2.gz ARUXMMPNOJNARC-UHFFFAOYSA-N 0 0 346.774 2.776 10 5 EFBERN CC(=O)N1CCC[C@@H](COC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000892859209 719243860 /nfs/dbraw/zinc/24/38/60/719243860.db2.gz CBJMSNKZVDLKLP-CQSZACIVSA-N 0 0 334.372 2.627 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119730297 719478707 /nfs/dbraw/zinc/47/87/07/719478707.db2.gz SZGZQTCFSRPTEA-NSHDSACASA-N 0 0 348.446 2.626 10 5 EFBERN CC(=O)NCCCCCOC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000924240493 719717512 /nfs/dbraw/zinc/71/75/12/719717512.db2.gz SGEKTDLWJGUNBA-UHFFFAOYSA-N 0 0 342.779 2.640 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)CCOCc2ccccc2)n1 ZINC000893701292 719719326 /nfs/dbraw/zinc/71/93/26/719719326.db2.gz DXDNOXYCUYMTRF-ZDUSSCGKSA-N 0 0 347.371 2.963 10 5 EFBERN O=C(COC(=O)C[C@@H]1CC=CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000924243428 719798585 /nfs/dbraw/zinc/79/85/85/719798585.db2.gz DDVIEFAZTSDYAW-LLVKDONJSA-N 0 0 336.319 2.962 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000021628801 724630706 /nfs/dbraw/zinc/63/07/06/724630706.db2.gz CMMIXEFQUVESLM-IXPVHAAZSA-N 0 0 349.387 2.538 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2c3ccccc3CC[C@H]2F)n1 ZINC000893726697 720063416 /nfs/dbraw/zinc/06/34/16/720063416.db2.gz XIPXOMBOPGTTCE-DOMZBBRYSA-N 0 0 333.319 2.994 10 5 EFBERN C[C@H]1[C@@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930623116 720129831 /nfs/dbraw/zinc/12/98/31/720129831.db2.gz BXAYITUICGOMNJ-ZANVPECISA-N 0 0 329.194 2.703 10 5 EFBERN CCNc1ccc(C(=O)N[C@@H](CC)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000893868031 720132595 /nfs/dbraw/zinc/13/25/95/720132595.db2.gz YODPUJPHYKSRTE-KBPBESRZSA-N 0 0 335.404 2.962 10 5 EFBERN CCN1CC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000893871903 720135699 /nfs/dbraw/zinc/13/56/99/720135699.db2.gz IIVNRDAYGOWNHM-SECBINFHSA-N 0 0 332.187 2.726 10 5 EFBERN C[C@@H]1Cn2nccc2N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000893900377 720145840 /nfs/dbraw/zinc/14/58/40/720145840.db2.gz FUPOESLRLZBCIT-NSHDSACASA-N 0 0 332.385 2.566 10 5 EFBERN C[C@H]1Cn2nccc2N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000893905575 720149716 /nfs/dbraw/zinc/14/97/16/720149716.db2.gz QRZRFLYYXQGCNK-LLVKDONJSA-N 0 0 341.371 2.662 10 5 EFBERN C[C@@H]1Cn2nccc2N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000893888323 720150833 /nfs/dbraw/zinc/15/08/33/720150833.db2.gz ZLLCEASCUSTSQR-NSHDSACASA-N 0 0 346.362 2.891 10 5 EFBERN C[C@@H]1Cn2nccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000893889679 720151736 /nfs/dbraw/zinc/15/17/36/720151736.db2.gz DBNMCLPTIFMUGF-JTQLQIEISA-N 0 0 334.763 2.670 10 5 EFBERN CCNc1ccc(C(=O)NC[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000893909529 720155576 /nfs/dbraw/zinc/15/55/76/720155576.db2.gz AITVTZNROZKBNO-CYBMUJFWSA-N 0 0 333.388 2.858 10 5 EFBERN COC(=O)[C@H]1[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC000893946355 720178517 /nfs/dbraw/zinc/17/85/17/720178517.db2.gz ZKZRIZACGDBQKM-UONOGXRCSA-N 0 0 340.326 2.614 10 5 EFBERN COCC1(COC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCOCC1 ZINC000893247255 720231864 /nfs/dbraw/zinc/23/18/64/720231864.db2.gz GRXILNCKMVTCRG-UHFFFAOYSA-N 0 0 337.372 2.812 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(F)F ZINC000894055498 720254305 /nfs/dbraw/zinc/25/43/05/720254305.db2.gz XTSQBCTYAGNFEH-JTQLQIEISA-N 0 0 327.331 2.969 10 5 EFBERN O=C(NC[C@@H]1CC=CCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000312256419 720337213 /nfs/dbraw/zinc/33/72/13/720337213.db2.gz LHBSTISDRNSAPD-SECBINFHSA-N 0 0 340.177 2.838 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC3(CCC3)CO2)c1 ZINC000924119528 720411432 /nfs/dbraw/zinc/41/14/32/720411432.db2.gz GYBQAQBSILBARA-CQSZACIVSA-N 0 0 348.399 2.748 10 5 EFBERN CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCOC1 ZINC000312498938 720546525 /nfs/dbraw/zinc/54/65/25/720546525.db2.gz DRPWRWCYBFTDMW-SECBINFHSA-N 0 0 343.177 2.608 10 5 EFBERN CC1(C)CC[C@@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])OC1 ZINC000893333245 720704715 /nfs/dbraw/zinc/70/47/15/720704715.db2.gz UYOFPHVOZGFPMU-VIFPVBQESA-N 0 0 328.315 2.808 10 5 EFBERN C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000123103679 720710899 /nfs/dbraw/zinc/71/08/99/720710899.db2.gz SOILQRSQZOEMIV-MRVPVSSYSA-N 0 0 327.768 2.738 10 5 EFBERN COCC(C)(C)CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000840593973 720826841 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Cc1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)ccc1[N+](=O)[O-] ZINC000894650705 722808623 /nfs/dbraw/zinc/80/86/23/722808623.db2.gz AHQISXWRPPCYDW-SCGCMHLBSA-N 0 0 348.399 2.606 10 5 EFBERN Cc1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1[N+](=O)[O-] ZINC000894651284 722808801 /nfs/dbraw/zinc/80/88/01/722808801.db2.gz FZAZZDONESPKCV-WZTLGTBRSA-N 0 0 348.399 2.606 10 5 EFBERN CSc1cccc(C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000894703621 722822959 /nfs/dbraw/zinc/82/29/59/722822959.db2.gz KMWHNTRELNPPCH-DGCLKSJQSA-N 0 0 336.413 2.958 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894713747 722824095 /nfs/dbraw/zinc/82/40/95/722824095.db2.gz QEOHIYOTAWYHIQ-MLGOLLRUSA-N 0 0 341.367 2.784 10 5 EFBERN CSc1ccc(C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894736376 722831109 /nfs/dbraw/zinc/83/11/09/722831109.db2.gz ZHJRKKLVEYGDTB-TZMCWYRMSA-N 0 0 336.413 2.958 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000894802651 722851367 /nfs/dbraw/zinc/85/13/67/722851367.db2.gz GAYUCFVUOFPRLB-CQSZACIVSA-N 0 0 338.335 2.586 10 5 EFBERN COC(=O)C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000894805415 722852812 /nfs/dbraw/zinc/85/28/12/722852812.db2.gz COJVHAZBCSACAB-MLGOLLRUSA-N 0 0 348.399 2.936 10 5 EFBERN O=C(Nc1ccc2c(c1)OCC(=O)N2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154494734 728776782 /nfs/dbraw/zinc/77/67/82/728776782.db2.gz MCIFBKDRZJRYNS-UHFFFAOYSA-N 0 0 347.714 2.831 10 5 EFBERN CO[C@]1(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CCSC1 ZINC000928500144 723091811 /nfs/dbraw/zinc/09/18/11/723091811.db2.gz SFNIRHDAGYFCIO-INIZCTEOSA-N 0 0 338.429 2.772 10 5 EFBERN CO[C@]1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000928504235 723132268 /nfs/dbraw/zinc/13/22/68/723132268.db2.gz FRLWOSPCYUUDMX-AWEZNQCLSA-N 0 0 344.820 2.809 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000896220560 723199273 /nfs/dbraw/zinc/19/92/73/723199273.db2.gz RKMVESBIBIWAGG-WMLDXEAASA-N 0 0 345.399 2.662 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CC(C)(C)CC(F)(F)F)n1 ZINC000896242482 723217676 /nfs/dbraw/zinc/21/76/76/723217676.db2.gz OUAMULFCTVAEKZ-UHFFFAOYSA-N 0 0 333.270 2.899 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(CCC[S@@](C)=O)no1 ZINC000896372217 723273043 /nfs/dbraw/zinc/27/30/43/723273043.db2.gz JMRUWEGFZLZPDA-ZXEGGCGDSA-N 0 0 335.385 2.849 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(CCC[S@@](C)=O)no1 ZINC000896372214 723273105 /nfs/dbraw/zinc/27/31/05/723273105.db2.gz JMRUWEGFZLZPDA-BREAQWACSA-N 0 0 335.385 2.849 10 5 EFBERN O=c1c([N+](=O)[O-])cc2c(n1C[C@@H]1CC[C@H](C(F)(F)F)O1)CCCC2 ZINC000917914211 728807129 /nfs/dbraw/zinc/80/71/29/728807129.db2.gz JBCZSTUGIDYXGL-GXFFZTMASA-N 0 0 346.305 2.745 10 5 EFBERN O=[N+]([O-])c1cn(C[C@H]2CC[C@H](C(F)(F)F)O2)c(Br)n1 ZINC000918087246 728833643 /nfs/dbraw/zinc/83/36/43/728833643.db2.gz MYMOEURMHVPOFP-PHDIDXHHSA-N 0 0 344.087 2.664 10 5 EFBERN O=[N+]([O-])c1cn(C[C@H]2CCC3(CCC3)CO2)c(Br)n1 ZINC000918085950 728832978 /nfs/dbraw/zinc/83/29/78/728832978.db2.gz BQDGUFDYEPDGPE-SECBINFHSA-N 0 0 330.182 2.903 10 5 EFBERN O=C([C@@H]1CCC=CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000909545442 723583005 /nfs/dbraw/zinc/58/30/05/723583005.db2.gz GSIBJLSSMMHJDD-OAHLLOKOSA-N 0 0 344.415 2.775 10 5 EFBERN CCC(=O)N1CSC[C@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000728167175 723818528 /nfs/dbraw/zinc/81/85/28/723818528.db2.gz NONXQODQHOGPDE-MFKMUULPSA-N 0 0 338.385 2.511 10 5 EFBERN O=[N+]([O-])c1ccc(OCCSC[C@@H]2CCC3(COC3)O2)cc1 ZINC000918160211 728847803 /nfs/dbraw/zinc/84/78/03/728847803.db2.gz XLIVCWNWRCJRMZ-AWEZNQCLSA-N 0 0 325.386 2.655 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1CCc2ccccc21 ZINC000728201374 723845895 /nfs/dbraw/zinc/84/58/95/723845895.db2.gz IAKUTQNXVZSVOW-ZDUSSCGKSA-N 0 0 337.379 2.935 10 5 EFBERN COc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000728202153 723846103 /nfs/dbraw/zinc/84/61/03/723846103.db2.gz SXGDXLOSJJTNIS-LBPRGKRZSA-N 0 0 341.367 2.993 10 5 EFBERN CCC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000727183978 723851681 /nfs/dbraw/zinc/85/16/81/723851681.db2.gz VXPGHXADSKSDEC-LBPRGKRZSA-N 0 0 334.372 2.967 10 5 EFBERN O=C(NC1CCC=CCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000895223811 723889871 /nfs/dbraw/zinc/88/98/71/723889871.db2.gz WLVNBGHPWPHYFN-UHFFFAOYSA-N 0 0 332.356 2.985 10 5 EFBERN Cc1cccc(Cc2noc(C(C)(C)n3cc([N+](=O)[O-])cn3)n2)c1F ZINC000896950033 723910020 /nfs/dbraw/zinc/91/00/20/723910020.db2.gz CUWZFHRNYLWBME-UHFFFAOYSA-N 0 0 345.334 2.996 10 5 EFBERN C[C@H](CNC(=O)N[C@@H]1CCO[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897049343 723965271 /nfs/dbraw/zinc/96/52/71/723965271.db2.gz CXCNNPLMRGCTFZ-XFJVYGCCSA-N 0 0 333.388 2.565 10 5 EFBERN C[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(CO)C1)c1ccccc1[N+](=O)[O-] ZINC000897056877 723971102 /nfs/dbraw/zinc/97/11/02/723971102.db2.gz YXPBOBWEAFDPAE-SUNYJGFJSA-N 0 0 347.415 2.502 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000895298008 724004508 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O=C(CCC(=O)N1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001620708424 1091228866 /nfs/dbraw/zinc/22/88/66/1091228866.db2.gz WKOAXYYHECSYQZ-OLZOCXBDSA-N 0 0 338.310 2.671 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cc2n(n1)CCCC2 ZINC001583031110 1091879561 /nfs/dbraw/zinc/87/95/61/1091879561.db2.gz NTAWZORGOIGVPC-UHFFFAOYSA-N 0 0 348.790 2.640 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2c[nH]cn2)cc1 ZINC001583088038 1091897106 /nfs/dbraw/zinc/89/71/06/1091897106.db2.gz ROCFMJOJZMVDTK-UHFFFAOYSA-N 0 0 336.351 2.957 10 5 EFBERN CC(C)c1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC001583087228 1091897143 /nfs/dbraw/zinc/89/71/43/1091897143.db2.gz AOMKHHWCRXDSJM-UHFFFAOYSA-N 0 0 329.356 2.791 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCOC3=O)cc2)n1 ZINC001583107061 1091899732 /nfs/dbraw/zinc/89/97/32/1091899732.db2.gz DDJXYZGFMFJXPH-UHFFFAOYSA-N 0 0 342.311 2.507 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccnc(C(F)(F)F)c1 ZINC001583136322 1091907219 /nfs/dbraw/zinc/90/72/19/1091907219.db2.gz ZLPBPFRKTVCSLL-UHFFFAOYSA-N 0 0 339.273 2.868 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1 ZINC001583153711 1091913144 /nfs/dbraw/zinc/91/31/44/1091913144.db2.gz FCEGZIPOIDYKNH-SUMWQHHRSA-N 0 0 341.367 2.900 10 5 EFBERN Cc1ccc(-n2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC001583204302 1091931408 /nfs/dbraw/zinc/93/14/08/1091931408.db2.gz NYAQMFQOUYNCJE-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN COc1ccc(NC(=O)c2ncnc3ccsc32)cc1[N+](=O)[O-] ZINC001583289860 1091952807 /nfs/dbraw/zinc/95/28/07/1091952807.db2.gz TXDGCUOJISHKDK-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(C)o1 ZINC001583290058 1091952913 /nfs/dbraw/zinc/95/29/13/1091952913.db2.gz WXQLTLQSMBNJET-UHFFFAOYSA-N 0 0 334.284 2.544 10 5 EFBERN O=C(c1cccc2nccn21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001583361066 1091977625 /nfs/dbraw/zinc/97/76/25/1091977625.db2.gz PXOWDBZBKPXKPR-UHFFFAOYSA-N 0 0 326.287 2.585 10 5 EFBERN Cc1nn(C)c2ncc(C(=O)OCc3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC001583448228 1092004174 /nfs/dbraw/zinc/00/41/74/1092004174.db2.gz YTBUGXFWJDGQRC-UHFFFAOYSA-N 0 0 340.339 2.850 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1cn2ccsc2n1 ZINC001583453056 1092005360 /nfs/dbraw/zinc/00/53/60/1092005360.db2.gz ZUBQOFSXIFZVAU-UHFFFAOYSA-N 0 0 348.359 2.692 10 5 EFBERN O=C(NCCc1ccns1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001583481153 1092012154 /nfs/dbraw/zinc/01/21/54/1092012154.db2.gz FROISOQIVPOXNQ-UHFFFAOYSA-N 0 0 328.353 2.572 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001583628165 1092051486 /nfs/dbraw/zinc/05/14/86/1092051486.db2.gz CNUPWHHZWYPRSS-QGZVFWFLSA-N 0 0 328.372 2.947 10 5 EFBERN Nc1nccc(C(=O)Nc2cc(C(F)F)ccc2F)c1[N+](=O)[O-] ZINC001583677952 1092056885 /nfs/dbraw/zinc/05/68/85/1092056885.db2.gz GPSCEKGRJUNLQT-UHFFFAOYSA-N 0 0 326.234 2.901 10 5 EFBERN O=C(NCCC[C@@H]1C=CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001583731731 1092062113 /nfs/dbraw/zinc/06/21/13/1092062113.db2.gz CKNJLPJIVFKJSI-CYBMUJFWSA-N 0 0 341.371 2.652 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(C)C3=O)c1 ZINC001583729733 1092062761 /nfs/dbraw/zinc/06/27/61/1092062761.db2.gz LZPKVMCSTUTOMJ-UHFFFAOYSA-N 0 0 325.324 2.741 10 5 EFBERN C[C@@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1ccccc1[N+](=O)[O-] ZINC001583792525 1092070067 /nfs/dbraw/zinc/07/00/67/1092070067.db2.gz QVSJZZZBPHCBEY-GFCCVEGCSA-N 0 0 349.350 2.938 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC001583804973 1092071585 /nfs/dbraw/zinc/07/15/85/1092071585.db2.gz LWLHAMQSBKDUAH-UHFFFAOYSA-N 0 0 331.309 2.754 10 5 EFBERN CCc1cc(NC(=O)[C@@H](C)[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC001583815423 1092072488 /nfs/dbraw/zinc/07/24/88/1092072488.db2.gz OYOOMVGLHVBHSH-APPDUMDISA-N 0 0 343.383 2.881 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCc2cccnc21 ZINC001583833478 1092074090 /nfs/dbraw/zinc/07/40/90/1092074090.db2.gz ZKIJTCKRSWLVGK-UHFFFAOYSA-N 0 0 348.156 2.955 10 5 EFBERN CC(C)(NC(=O)Cc1cnn2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001583854769 1092077989 /nfs/dbraw/zinc/07/79/89/1092077989.db2.gz CEKWZUFGZFVSJU-UHFFFAOYSA-N 0 0 338.367 2.837 10 5 EFBERN C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC001583948423 1092088652 /nfs/dbraw/zinc/08/86/52/1092088652.db2.gz NJFLOKVCFVLMKN-BXUZGUMPSA-N 0 0 340.807 2.800 10 5 EFBERN CC[C@H](OC(=O)c1noc2c1COCC2)c1cccc([N+](=O)[O-])c1 ZINC001583949601 1092089345 /nfs/dbraw/zinc/08/93/45/1092089345.db2.gz GREQSAXTBYFIDS-ZDUSSCGKSA-N 0 0 332.312 2.964 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)cn1 ZINC001583998520 1092095485 /nfs/dbraw/zinc/09/54/85/1092095485.db2.gz CFTSAMMXBWHVEU-UHFFFAOYSA-N 0 0 336.351 2.753 10 5 EFBERN CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001584212486 1092127904 /nfs/dbraw/zinc/12/79/04/1092127904.db2.gz BRAXYFRCOPHISH-GFCCVEGCSA-N 0 0 341.367 2.973 10 5 EFBERN COc1ccccc1OCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001584294490 1092139941 /nfs/dbraw/zinc/13/99/41/1092139941.db2.gz IJTDMCCTSIIJLP-LBPRGKRZSA-N 0 0 330.340 2.860 10 5 EFBERN CCNc1ccc(C(=O)Nc2ccn3ccnc3c2)cc1[N+](=O)[O-] ZINC001584330967 1092146495 /nfs/dbraw/zinc/14/64/95/1092146495.db2.gz RUBKKPGBRNJHAJ-UHFFFAOYSA-N 0 0 325.328 2.927 10 5 EFBERN C[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H](C)C(C)(C)C ZINC001584365511 1092150983 /nfs/dbraw/zinc/15/09/83/1092150983.db2.gz HCUZBODMLALTOG-ZIAGYGMSSA-N 0 0 348.447 2.957 10 5 EFBERN C[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H](C)C(C)(C)C ZINC001584365508 1092151400 /nfs/dbraw/zinc/15/14/00/1092151400.db2.gz HCUZBODMLALTOG-KBPBESRZSA-N 0 0 348.447 2.957 10 5 EFBERN CC(C)c1nc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)cs1 ZINC001584412345 1092163035 /nfs/dbraw/zinc/16/30/35/1092163035.db2.gz ZFUSQXLAUHKNNL-UHFFFAOYSA-N 0 0 334.401 2.729 10 5 EFBERN Cc1ccc(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)nc1 ZINC001584417755 1092167135 /nfs/dbraw/zinc/16/71/35/1092167135.db2.gz IHNIECPUQDJOHL-UHFFFAOYSA-N 0 0 338.367 2.612 10 5 EFBERN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001584452272 1092177295 /nfs/dbraw/zinc/17/72/95/1092177295.db2.gz XAFCANGTKVWSCI-WOSRLPQWSA-N 0 0 340.383 2.947 10 5 EFBERN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001584450140 1092177400 /nfs/dbraw/zinc/17/74/00/1092177400.db2.gz AHTJIHMFQROPEO-OGHNNQOOSA-N 0 0 340.383 2.947 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2ccc3c(c2)ncn3C)c1[N+](=O)[O-] ZINC001584457135 1092178123 /nfs/dbraw/zinc/17/81/23/1092178123.db2.gz TWLFPSHEADKQEO-UHFFFAOYSA-N 0 0 342.330 2.859 10 5 EFBERN C[C@H](C(=O)Nc1cnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001584530821 1092192090 /nfs/dbraw/zinc/19/20/90/1092192090.db2.gz LUYCKZIENXXWSE-LBPRGKRZSA-N 0 0 337.339 2.918 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CCC(c4ncccn4)CC3)nc2c1 ZINC001648374826 1092208095 /nfs/dbraw/zinc/20/80/95/1092208095.db2.gz TUBSQEDZDOQFPU-UHFFFAOYSA-N 0 0 339.355 2.906 10 5 EFBERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001584589371 1092211238 /nfs/dbraw/zinc/21/12/38/1092211238.db2.gz JCLSBCYJDZLMBG-BXUZGUMPSA-N 0 0 349.387 2.580 10 5 EFBERN COc1nscc1CN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001648429964 1092215418 /nfs/dbraw/zinc/21/54/18/1092215418.db2.gz YWVGFCHWYHZWRI-UHFFFAOYSA-N 0 0 341.364 2.840 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@@H](c2ncccc2C)C(C)(C)C)c1[N+](=O)[O-] ZINC001648480849 1092223020 /nfs/dbraw/zinc/22/30/20/1092223020.db2.gz IQCJXXUDXVVGBD-AWEZNQCLSA-N 0 0 331.376 2.847 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001648486327 1092223461 /nfs/dbraw/zinc/22/34/61/1092223461.db2.gz JDUJDUOLEWNFQX-UHFFFAOYSA-N 0 0 334.759 2.713 10 5 EFBERN O=C(NCc1ccccc1SC(F)(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC001648516194 1092226268 /nfs/dbraw/zinc/22/62/68/1092226268.db2.gz YPNVOQLUTPPSJX-UHFFFAOYSA-N 0 0 346.290 2.860 10 5 EFBERN CC1(C)CO[C@@H](CC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001648531152 1092231135 /nfs/dbraw/zinc/23/11/35/1092231135.db2.gz OOOKYHZBUJZKKW-LBPRGKRZSA-N 0 0 345.359 2.524 10 5 EFBERN Cc1c(CCC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cnn1C ZINC001584644828 1092231240 /nfs/dbraw/zinc/23/12/40/1092231240.db2.gz OEROBFRZYHIVCS-UHFFFAOYSA-N 0 0 339.355 2.756 10 5 EFBERN O=C(NCC[C@@H](O)C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001648571103 1092234105 /nfs/dbraw/zinc/23/41/05/1092234105.db2.gz BSIBFBFCOLVWIN-CQSZACIVSA-N 0 0 347.396 2.609 10 5 EFBERN CC(=O)c1cc(F)ccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001584670965 1092241026 /nfs/dbraw/zinc/24/10/26/1092241026.db2.gz BFCOIIUKMKWVMX-UHFFFAOYSA-N 0 0 346.270 2.918 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)nnn3C)c1C ZINC001584672605 1092242119 /nfs/dbraw/zinc/24/21/19/1092242119.db2.gz XISONYNVPIEFSM-UHFFFAOYSA-N 0 0 325.328 2.746 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2ccoc2C2CC2)cc1[N+](=O)[O-] ZINC001648658883 1092247992 /nfs/dbraw/zinc/24/79/92/1092247992.db2.gz NWPNAFQFWFPEEI-UHFFFAOYSA-N 0 0 344.323 2.687 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC001648656279 1092248029 /nfs/dbraw/zinc/24/80/29/1092248029.db2.gz MSVIZTDAZJFKBS-UHFFFAOYSA-N 0 0 346.314 2.664 10 5 EFBERN CCCc1occc1C(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001648658600 1092248309 /nfs/dbraw/zinc/24/83/09/1092248309.db2.gz BIIWBWTXOBMBGI-UHFFFAOYSA-N 0 0 346.339 2.762 10 5 EFBERN CCc1ccc(C(=O)N[C@H](C[C@H](C)CC)C(=O)OC)cc1[N+](=O)[O-] ZINC001584757412 1092273003 /nfs/dbraw/zinc/27/30/03/1092273003.db2.gz HWOLGVMNSDUYPA-BXUZGUMPSA-N 0 0 336.388 2.865 10 5 EFBERN O=C(Nc1nccc2cc[nH]c21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001584832274 1092300614 /nfs/dbraw/zinc/30/06/14/1092300614.db2.gz CDSJPULWWMJTHJ-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001584964010 1092338811 /nfs/dbraw/zinc/33/88/11/1092338811.db2.gz BAZLRMXXJGUKPM-UHFFFAOYSA-N 0 0 327.340 2.871 10 5 EFBERN O=C(NCc1nc2ccccc2[nH]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001584962977 1092339816 /nfs/dbraw/zinc/33/98/16/1092339816.db2.gz USRKWLQXUJPSCI-UONOGXRCSA-N 0 0 336.351 2.891 10 5 EFBERN COc1ccc(OC(=O)c2cc(C(F)(F)F)nn2C)cc1[N+](=O)[O-] ZINC001584977661 1092343103 /nfs/dbraw/zinc/34/31/03/1092343103.db2.gz LUGHAINGIYDIDH-UHFFFAOYSA-N 0 0 345.233 2.575 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC001584973927 1092343358 /nfs/dbraw/zinc/34/33/58/1092343358.db2.gz TYRYIYXGKAYJCM-MRXNPFEDSA-N 0 0 327.340 2.759 10 5 EFBERN COC(=O)c1ncccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001584993044 1092348327 /nfs/dbraw/zinc/34/83/27/1092348327.db2.gz SIWFQSLISCFLMW-STQMWFEESA-N 0 0 341.323 2.519 10 5 EFBERN Cc1cc(C(F)F)n(CC(=O)NCc2cccc([N+](=O)[O-])c2C)n1 ZINC001585015898 1092352064 /nfs/dbraw/zinc/35/20/64/1092352064.db2.gz OSAPOTRKFPBYSY-UHFFFAOYSA-N 0 0 338.314 2.662 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(OC2COC2)cc1 ZINC001585040190 1092356886 /nfs/dbraw/zinc/35/68/86/1092356886.db2.gz KJXUWDKFGJAXRF-UHFFFAOYSA-N 0 0 346.314 2.693 10 5 EFBERN CC(C)(C(=O)Nc1nsc2ccccc21)n1cc([N+](=O)[O-])cn1 ZINC001585095464 1092367901 /nfs/dbraw/zinc/36/79/01/1092367901.db2.gz LQDUOOFEWHSGFO-UHFFFAOYSA-N 0 0 331.357 2.775 10 5 EFBERN COC(OC)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001585117504 1092375625 /nfs/dbraw/zinc/37/56/25/1092375625.db2.gz DDCLIOCOXHYEHG-OAHLLOKOSA-N 0 0 330.340 2.685 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2ncccn2)cc1[N+](=O)[O-] ZINC001585120349 1092377921 /nfs/dbraw/zinc/37/79/21/1092377921.db2.gz PUWZMOLQMPPFIT-LLVKDONJSA-N 0 0 347.762 2.598 10 5 EFBERN Cc1nocc1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001585127457 1092378948 /nfs/dbraw/zinc/37/89/48/1092378948.db2.gz UHPNAJPLNARNDA-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN Cc1nocc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001585126853 1092379535 /nfs/dbraw/zinc/37/95/35/1092379535.db2.gz NHVRQNZDPWAWIX-UHFFFAOYSA-N 0 0 340.133 2.835 10 5 EFBERN CCNc1ccc(C(=O)NCc2c(C)noc2CC)cc1[N+](=O)[O-] ZINC001585166789 1092388692 /nfs/dbraw/zinc/38/86/92/1092388692.db2.gz JKCGFBCDIIEZNV-UHFFFAOYSA-N 0 0 332.360 2.815 10 5 EFBERN Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001585248934 1092421292 /nfs/dbraw/zinc/42/12/92/1092421292.db2.gz KKVUTVZKTUGVJE-GFCCVEGCSA-N 0 0 341.367 2.819 10 5 EFBERN NC(=O)c1cc(NC(=O)/C=C\Sc2ccccc2)ccc1[N+](=O)[O-] ZINC001585249708 1092421309 /nfs/dbraw/zinc/42/13/09/1092421309.db2.gz WUSKMTGTRVVLJJ-HJWRWDBZSA-N 0 0 343.364 2.938 10 5 EFBERN Cc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)sc1C=O ZINC001585279794 1092431866 /nfs/dbraw/zinc/43/18/66/1092431866.db2.gz RFDKKIJZGRBRHY-UHFFFAOYSA-N 0 0 334.353 2.586 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2-c2cccc(F)c2)n1 ZINC001585290882 1092436059 /nfs/dbraw/zinc/43/60/59/1092436059.db2.gz IKGDYHJQZNALAA-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001585314578 1092442255 /nfs/dbraw/zinc/44/22/55/1092442255.db2.gz IMFUDGXMSCJJPD-ZDUSSCGKSA-N 0 0 340.339 2.635 10 5 EFBERN Cc1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C)n2)[nH]c1C ZINC001649369179 1092444357 /nfs/dbraw/zinc/44/43/57/1092444357.db2.gz DXKQZVXVXBMFLC-AWEZNQCLSA-N 0 0 329.360 2.615 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)c1ccc(F)cc1F ZINC001585381458 1092467221 /nfs/dbraw/zinc/46/72/21/1092467221.db2.gz YFVMPSPKIWSHGK-HNNXBMFYSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1noc(C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3C)C2)n1 ZINC001585420233 1092479935 /nfs/dbraw/zinc/47/99/35/1092479935.db2.gz NLRQFIHNTFCQRU-ZDUSSCGKSA-N 0 0 344.371 2.690 10 5 EFBERN Cc1noc(C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3C)C2)n1 ZINC001585420232 1092480040 /nfs/dbraw/zinc/48/00/40/1092480040.db2.gz NLRQFIHNTFCQRU-CYBMUJFWSA-N 0 0 344.371 2.690 10 5 EFBERN CCNc1ccc(C(=O)Nc2nccc(SC)n2)cc1[N+](=O)[O-] ZINC001585437727 1092486608 /nfs/dbraw/zinc/48/66/08/1092486608.db2.gz BKVAFTMUYSPJJE-UHFFFAOYSA-N 0 0 333.373 2.791 10 5 EFBERN Cc1cccc2nc(CCNC(=O)c3c(F)cccc3[N+](=O)[O-])cn21 ZINC001585537195 1092515376 /nfs/dbraw/zinc/51/53/76/1092515376.db2.gz JYHRQCSOUWNDCP-UHFFFAOYSA-N 0 0 342.330 2.663 10 5 EFBERN COc1ccc2cccc(CC(=O)Nc3c([N+](=O)[O-])cnn3C)c2c1 ZINC001585616496 1092524237 /nfs/dbraw/zinc/52/42/37/1092524237.db2.gz GMBKRAOIERIZPT-UHFFFAOYSA-N 0 0 340.339 2.671 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001585617514 1092524275 /nfs/dbraw/zinc/52/42/75/1092524275.db2.gz QZZKWUHPXMZJSP-UHFFFAOYSA-N 0 0 334.763 2.943 10 5 EFBERN Cc1ccc(C(=O)Nc2ccc3c(c2)CCN(C)C3=O)cc1[N+](=O)[O-] ZINC001585630307 1092526140 /nfs/dbraw/zinc/52/61/40/1092526140.db2.gz HDGKAEPSUGYSJT-UHFFFAOYSA-N 0 0 339.351 2.784 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001585763769 1092566287 /nfs/dbraw/zinc/56/62/87/1092566287.db2.gz PTAUEZSXJAIODW-PXAZEXFGSA-N 0 0 346.408 2.925 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001585770210 1092566824 /nfs/dbraw/zinc/56/68/24/1092566824.db2.gz ZJWFXKFMTRIBAL-MGPLVRAMSA-N 0 0 336.351 2.929 10 5 EFBERN CNC(=O)Oc1cccc(OC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC001585781767 1092570661 /nfs/dbraw/zinc/57/06/61/1092570661.db2.gz RAIKCKOYXHLPHB-UHFFFAOYSA-N 0 0 330.296 2.841 10 5 EFBERN COC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCCC1 ZINC001585816259 1092583120 /nfs/dbraw/zinc/58/31/20/1092583120.db2.gz NUBKNLVSJNNIKS-UHFFFAOYSA-N 0 0 334.372 2.757 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ncnc2sccc21 ZINC001585833686 1092589873 /nfs/dbraw/zinc/58/98/73/1092589873.db2.gz PGTFVCKJLYQOQC-UHFFFAOYSA-N 0 0 342.380 2.914 10 5 EFBERN O=C(CCOC[C@H]1CCCO1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585836595 1092591460 /nfs/dbraw/zinc/59/14/60/1092591460.db2.gz FLLVJHRYYNPLLK-CQSZACIVSA-N 0 0 345.355 2.667 10 5 EFBERN C/C(=C/C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)c1cnccn1 ZINC001585841264 1092593194 /nfs/dbraw/zinc/59/31/94/1092593194.db2.gz GIWYGYNXISWCRF-FLIBITNWSA-N 0 0 335.323 2.975 10 5 EFBERN O=C(CCCn1cccn1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585842181 1092593708 /nfs/dbraw/zinc/59/37/08/1092593708.db2.gz SYBXLXHBWLTFBV-UHFFFAOYSA-N 0 0 325.328 2.758 10 5 EFBERN CCOCCO[C@@H](C)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585842094 1092594071 /nfs/dbraw/zinc/59/40/71/1092594071.db2.gz RDORNOYAZTZROC-NSHDSACASA-N 0 0 333.344 2.523 10 5 EFBERN Cc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1 ZINC001585875753 1092606617 /nfs/dbraw/zinc/60/66/17/1092606617.db2.gz DONJMMOARQETFX-UITAMQMPSA-N 0 0 325.324 2.654 10 5 EFBERN CCOc1cc(NC(=O)c2csc3cncn32)ccc1[N+](=O)[O-] ZINC001585926725 1092623374 /nfs/dbraw/zinc/62/33/74/1092623374.db2.gz LYWNEOJBTHTWLP-UHFFFAOYSA-N 0 0 332.341 2.955 10 5 EFBERN CCOc1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC001585926922 1092623434 /nfs/dbraw/zinc/62/34/34/1092623434.db2.gz OZBPKHRZKGLUJN-MRXNPFEDSA-N 0 0 328.324 2.936 10 5 EFBERN CCNc1ccc(C(=O)Nc2ccnc(F)c2OC)cc1[N+](=O)[O-] ZINC001585971901 1092636395 /nfs/dbraw/zinc/63/63/95/1092636395.db2.gz CUBYATNVMVISST-UHFFFAOYSA-N 0 0 334.307 2.822 10 5 EFBERN Cc1ccc(-c2cc(NC(=O)CNc3ccccc3[N+](=O)[O-])[nH]n2)o1 ZINC001143435841 1092636471 /nfs/dbraw/zinc/63/64/71/1092636471.db2.gz VJNIRQLPGCLBOG-UHFFFAOYSA-N 0 0 341.327 2.937 10 5 EFBERN COc1c(F)nccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001585972548 1092637158 /nfs/dbraw/zinc/63/71/58/1092637158.db2.gz ZNDRWWVZPWDJBY-UHFFFAOYSA-N 0 0 344.302 2.731 10 5 EFBERN CN(C(=O)c1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])nc1 ZINC001585981333 1092641738 /nfs/dbraw/zinc/64/17/38/1092641738.db2.gz ICORSIXKOYIYKU-UHFFFAOYSA-N 0 0 326.234 2.680 10 5 EFBERN Cc1cncc(CCC(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001586033703 1092661620 /nfs/dbraw/zinc/66/16/20/1092661620.db2.gz CPGWZVWTEDMZKX-UHFFFAOYSA-N 0 0 331.284 2.745 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCc2cc[nH]c(=O)c21 ZINC001586061586 1092670508 /nfs/dbraw/zinc/67/05/08/1092670508.db2.gz NKMWWVPYHCRGAL-UHFFFAOYSA-N 0 0 333.731 2.942 10 5 EFBERN CC(C)(CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC001586085898 1092678044 /nfs/dbraw/zinc/67/80/44/1092678044.db2.gz DYGFEPMIMNRTEQ-UHFFFAOYSA-N 0 0 328.372 2.571 10 5 EFBERN COC(=O)c1c(C)cc(NC(=O)c2ccccc2[N+](=O)[O-])nc1C ZINC001586206025 1092709905 /nfs/dbraw/zinc/70/99/05/1092709905.db2.gz HYSDCRGCWZTZML-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C2 ZINC001586219724 1092711551 /nfs/dbraw/zinc/71/15/51/1092711551.db2.gz YWKIUBHXZNBGLS-UHFFFAOYSA-N 0 0 342.355 2.678 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001586289131 1092719272 /nfs/dbraw/zinc/71/92/72/1092719272.db2.gz KBRQFTQHDZMZJC-BXUZGUMPSA-N 0 0 333.344 2.907 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1noc2c1CCCC2 ZINC001586372450 1092728337 /nfs/dbraw/zinc/72/83/37/1092728337.db2.gz FRRFAPCUVQYZIY-UHFFFAOYSA-N 0 0 331.328 2.869 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001586436955 1092734471 /nfs/dbraw/zinc/73/44/71/1092734471.db2.gz WLKUOMOORIACBV-GJZGRUSLSA-N 0 0 344.371 2.645 10 5 EFBERN C=CC(=O)NCc1ccc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001586463633 1092735402 /nfs/dbraw/zinc/73/54/02/1092735402.db2.gz DRQZDQAKFDAHMR-UHFFFAOYSA-N 0 0 339.351 2.958 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC001586530621 1092742472 /nfs/dbraw/zinc/74/24/72/1092742472.db2.gz TWEOKKHDJNIBCD-UHFFFAOYSA-N 0 0 329.331 2.778 10 5 EFBERN CCOC(=O)c1cc(C(=O)OCc2cnsc2)cc([N+](=O)[O-])c1 ZINC001586582288 1092745059 /nfs/dbraw/zinc/74/50/59/1092745059.db2.gz ZTTNGSWVRVMDQW-UHFFFAOYSA-N 0 0 336.325 2.585 10 5 EFBERN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)s1 ZINC001586627326 1092747242 /nfs/dbraw/zinc/74/72/42/1092747242.db2.gz QNUWHYSKPGEONQ-SECBINFHSA-N 0 0 349.416 2.733 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cn(C)nc2C(F)F)c1F ZINC001586691397 1092751737 /nfs/dbraw/zinc/75/17/37/1092751737.db2.gz JSZUFADSGUSHEG-UHFFFAOYSA-N 0 0 328.250 2.966 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cn(-c2ccccc2)nn1 ZINC001586687144 1092751825 /nfs/dbraw/zinc/75/18/25/1092751825.db2.gz DMUVSIZJIHZHTE-FLIBITNWSA-N 0 0 335.323 2.827 10 5 EFBERN COc1cccc(C(=O)Nc2cn(C)nc2C(F)F)c1[N+](=O)[O-] ZINC001586691565 1092752114 /nfs/dbraw/zinc/75/21/14/1092752114.db2.gz MBYLSZHPZJKGOL-UHFFFAOYSA-N 0 0 326.259 2.527 10 5 EFBERN C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721123 1092754332 /nfs/dbraw/zinc/75/43/32/1092754332.db2.gz UCBPDGQJJVVWBM-LLVKDONJSA-N 0 0 339.355 2.694 10 5 EFBERN COc1ccc(F)c(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC001586780347 1092758284 /nfs/dbraw/zinc/75/82/84/1092758284.db2.gz CEIDJGVSNQXACA-UHFFFAOYSA-N 0 0 347.346 2.861 10 5 EFBERN CCCOc1ccnc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC001586877612 1092764799 /nfs/dbraw/zinc/76/47/99/1092764799.db2.gz JGQQQTRWLKWWTH-UHFFFAOYSA-N 0 0 330.344 2.663 10 5 EFBERN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)cc1 ZINC001586882439 1092765227 /nfs/dbraw/zinc/76/52/27/1092765227.db2.gz PGRJFVABXRYPKP-OAHLLOKOSA-N 0 0 349.774 2.948 10 5 EFBERN CC[C@H](O)CCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001586894754 1092767781 /nfs/dbraw/zinc/76/77/81/1092767781.db2.gz POGVXERBWHYZKY-LBPRGKRZSA-N 0 0 331.372 2.611 10 5 EFBERN COc1c(F)nccc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001586998992 1092775510 /nfs/dbraw/zinc/77/55/10/1092775510.db2.gz HUDSWEWEWSKVJB-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN COC(=O)c1coc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001586994652 1092775598 /nfs/dbraw/zinc/77/55/98/1092775598.db2.gz CBAWTOJAEMVFBS-UHFFFAOYSA-N 0 0 341.279 2.775 10 5 EFBERN CC(=O)Nc1cccnc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001587037834 1092777390 /nfs/dbraw/zinc/77/73/90/1092777390.db2.gz RYWVHWJPWNLHCZ-NSHDSACASA-N 0 0 342.355 2.748 10 5 EFBERN CC(=O)Nc1cccnc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001587037833 1092778177 /nfs/dbraw/zinc/77/81/77/1092778177.db2.gz RYWVHWJPWNLHCZ-LLVKDONJSA-N 0 0 342.355 2.748 10 5 EFBERN NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001587102216 1092782909 /nfs/dbraw/zinc/78/29/09/1092782909.db2.gz PPJOWAWZBBAMHQ-UHFFFAOYSA-N 0 0 333.731 2.528 10 5 EFBERN Cc1cccc(COCC(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001587148519 1092786881 /nfs/dbraw/zinc/78/68/81/1092786881.db2.gz RQFZWJYDFBYPGA-UHFFFAOYSA-N 0 0 346.295 2.934 10 5 EFBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(C(F)(F)F)n1 ZINC001587228714 1092792124 /nfs/dbraw/zinc/79/21/24/1092792124.db2.gz HFOQRQYGCXEUNK-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1cccnc1 ZINC001587255121 1092795526 /nfs/dbraw/zinc/79/55/26/1092795526.db2.gz LJVPWAYLWKZUSK-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2CCSc3ccccc32)cc1[N+](=O)[O-] ZINC001587284873 1092798473 /nfs/dbraw/zinc/79/84/73/1092798473.db2.gz HUGWXTGZYPPQRI-LLVKDONJSA-N 0 0 330.369 2.539 10 5 EFBERN C[C@](CO)(NC(=O)c1coc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001587295839 1092799864 /nfs/dbraw/zinc/79/98/64/1092799864.db2.gz ACVUGGCNQHUPMT-GOSISDBHSA-N 0 0 340.335 2.979 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC001587348055 1092804630 /nfs/dbraw/zinc/80/46/30/1092804630.db2.gz JFZUOAFKOYEGEV-UHFFFAOYSA-N 0 0 328.250 2.528 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC001587423742 1092810848 /nfs/dbraw/zinc/81/08/48/1092810848.db2.gz ISPHCPRUUSNFPQ-UHFFFAOYSA-N 0 0 328.284 2.613 10 5 EFBERN COc1c(C(=O)Nc2ccc3c(c2)COC(=O)N3)cccc1[N+](=O)[O-] ZINC001587423050 1092811137 /nfs/dbraw/zinc/81/11/37/1092811137.db2.gz ASWQZFRYCBASHO-UHFFFAOYSA-N 0 0 343.295 2.918 10 5 EFBERN O=C(NCCc1ccoc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001587457848 1092813136 /nfs/dbraw/zinc/81/31/36/1092813136.db2.gz GEXTYZBEYVIHLQ-UHFFFAOYSA-N 0 0 326.255 2.762 10 5 EFBERN COc1cc(C(=O)Nc2nccc(C3CC3)n2)c([N+](=O)[O-])cc1F ZINC001587519781 1092817651 /nfs/dbraw/zinc/81/76/51/1092817651.db2.gz HMNPJNJVPWEXRD-UHFFFAOYSA-N 0 0 332.291 2.662 10 5 EFBERN CCS[C@H]1CCC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001587544962 1092820640 /nfs/dbraw/zinc/82/06/40/1092820640.db2.gz XUTQFHLSBUYTNC-SFYZADRCSA-N 0 0 332.813 2.765 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c2ccccc12 ZINC001587555144 1092821760 /nfs/dbraw/zinc/82/17/60/1092821760.db2.gz IHJLZEFCHOGKGM-UHFFFAOYSA-N 0 0 338.367 2.762 10 5 EFBERN Cc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001587559842 1092822966 /nfs/dbraw/zinc/82/29/66/1092822966.db2.gz KXTZFVRVBDVNFX-UHFFFAOYSA-N 0 0 347.302 2.809 10 5 EFBERN COc1ccc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])c2ccccc12 ZINC001587630757 1092832282 /nfs/dbraw/zinc/83/22/82/1092832282.db2.gz PSSCYQVIYVFTKU-UHFFFAOYSA-N 0 0 340.339 2.900 10 5 EFBERN CCC1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)COC1 ZINC001587639575 1092834049 /nfs/dbraw/zinc/83/40/49/1092834049.db2.gz LYZPSTLTWYWSOY-UHFFFAOYSA-N 0 0 332.278 2.770 10 5 EFBERN C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001587649060 1092836867 /nfs/dbraw/zinc/83/68/67/1092836867.db2.gz CYCCZZUGYKMFSS-QGZVFWFLSA-N 0 0 348.786 2.972 10 5 EFBERN CC(C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ncccn1 ZINC001587659606 1092839532 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EFBERN CN(CCNC(=O)/C=C/c1ccco1)Cc1csc([N+](=O)[O-])c1 ZINC001267183124 1093108897 /nfs/dbraw/zinc/10/88/97/1093108897.db2.gz GMAABAYZYNPHBZ-SNAWJCMRSA-N 0 0 335.385 2.511 10 5 EFBERN COC(=O)[C@@H]1CCC[C@H](OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588554712 1093142602 /nfs/dbraw/zinc/14/26/02/1093142602.db2.gz FIOZWSLIYTVNPT-FHGUCWBTSA-N 0 0 333.340 2.883 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000843615332 1093197675 /nfs/dbraw/zinc/19/76/75/1093197675.db2.gz GSZKZMDDGAKXEX-QYMJWVLRSA-N 0 0 345.399 2.514 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CCOc2c(F)cccc21 ZINC001267227953 1093278702 /nfs/dbraw/zinc/27/87/02/1093278702.db2.gz HYISXCDUZFOJPA-ZDUSSCGKSA-N 0 0 349.318 2.696 10 5 EFBERN CC/C=C(/C)C(=O)NCCN(CC)Cc1csc([N+](=O)[O-])c1 ZINC001267238417 1093321317 /nfs/dbraw/zinc/32/13/17/1093321317.db2.gz NADUFLRNGAOOFS-SDQBBNPISA-N 0 0 325.434 2.951 10 5 EFBERN C/C(=C\C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000843616541 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O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001650953837 1093512905 /nfs/dbraw/zinc/51/29/05/1093512905.db2.gz ZAJWZGGILBOHRB-UONOGXRCSA-N 0 0 341.367 2.837 10 5 EFBERN Cc1nc(Sc2n[nH]c(Cc3ccccc3)n2)ncc1[N+](=O)[O-] ZINC001651002408 1093516899 /nfs/dbraw/zinc/51/68/99/1093516899.db2.gz UJQDZXQGHPVMDA-UHFFFAOYSA-N 0 0 328.357 2.553 10 5 EFBERN O=c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n[nH]1 ZINC001651084734 1093524889 /nfs/dbraw/zinc/52/48/89/1093524889.db2.gz SFSXSHIBORQEMR-UHFFFAOYSA-N 0 0 341.302 2.904 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCc2nc[nH]c2C1 ZINC001651109649 1093528089 /nfs/dbraw/zinc/52/80/89/1093528089.db2.gz YHGZZJVBZDVDDX-SNVBAGLBSA-N 0 0 337.339 2.610 10 5 EFBERN CC(C)(C)CC(=O)NCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001651109430 1093528346 /nfs/dbraw/zinc/52/83/46/1093528346.db2.gz OXVOMULHWKDZGK-UHFFFAOYSA-N 0 0 344.371 2.634 10 5 EFBERN Cc1csc(NCCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])n1 ZINC001651128950 1093530321 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COc1nscc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001651233323 1093543821 /nfs/dbraw/zinc/54/38/21/1093543821.db2.gz LRCHPIHUFWNZAF-ZETCQYMHSA-N 0 0 325.321 2.941 10 5 EFBERN CCn1ncc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC001651295643 1093550918 /nfs/dbraw/zinc/55/09/18/1093550918.db2.gz SXRCNAXBODJREK-UHFFFAOYSA-N 0 0 347.331 2.599 10 5 EFBERN CC(F)(F)CC(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001267332499 1093599938 /nfs/dbraw/zinc/59/99/38/1093599938.db2.gz NMXGWGGSNLZWMQ-UHFFFAOYSA-N 0 0 347.387 2.782 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC ZINC000843617926 1093627770 /nfs/dbraw/zinc/62/77/70/1093627770.db2.gz HSJBYHRLFIKNPR-SKDRFNHKSA-N 0 0 342.779 2.956 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC ZINC000843618620 1094342491 /nfs/dbraw/zinc/34/24/91/1094342491.db2.gz KQHMPWSHUQFSIN-BXKDBHETSA-N 0 0 342.779 2.956 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC ZINC000843618621 1094345180 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EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2nccnc21 ZINC001597541008 1094598741 /nfs/dbraw/zinc/59/87/41/1094598741.db2.gz GFKAVCMHLVCRHZ-UHFFFAOYSA-N 0 0 338.323 2.946 10 5 EFBERN O=C(NCc1nc2c([nH]1)CCCC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001597584590 1094603326 /nfs/dbraw/zinc/60/33/26/1094603326.db2.gz GSSBLJCXLSPKJK-KBPBESRZSA-N 0 0 340.383 2.617 10 5 EFBERN C[C@@H](NC(=O)Cc1cn2cc(F)ccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001597620369 1094607421 /nfs/dbraw/zinc/60/74/21/1094607421.db2.gz WSSPGBICDVMLOF-LLVKDONJSA-N 0 0 342.330 2.802 10 5 EFBERN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)C1(O)CCCCC1 ZINC001620977461 1094611045 /nfs/dbraw/zinc/61/10/45/1094611045.db2.gz REAQAPRDLVXKGG-UHFFFAOYSA-N 0 0 340.326 2.768 10 5 EFBERN Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001597665207 1094611911 /nfs/dbraw/zinc/61/19/11/1094611911.db2.gz ZVKZGZNOELFDSF-MRVPVSSYSA-N 0 0 347.249 2.836 10 5 EFBERN C[C@H](NC(=O)c1sccc1-n1ccnn1)c1ccc([N+](=O)[O-])cc1 ZINC001597736819 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CCCc1n[nH]c(C(=O)N2CCC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC001631101520 1100370794 /nfs/dbraw/zinc/37/07/94/1100370794.db2.gz CEHZYJQIQBROGA-ZDUSSCGKSA-N 0 0 343.387 2.685 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2NC(=O)C1 ZINC001631124369 1100371793 /nfs/dbraw/zinc/37/17/93/1100371793.db2.gz FDKKSKCLCIPWFT-UHFFFAOYSA-N 0 0 339.351 2.806 10 5 EFBERN Cc1cccc2nc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])n(C)c21 ZINC001631226084 1100380961 /nfs/dbraw/zinc/38/09/61/1100380961.db2.gz JNUAENQBEFBKON-UHFFFAOYSA-N 0 0 342.330 2.859 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(CO)cc1 ZINC001631217738 1100381596 /nfs/dbraw/zinc/38/15/96/1100381596.db2.gz ZCCJMYIIBFXBJU-UHFFFAOYSA-N 0 0 325.324 2.750 10 5 EFBERN CC(C)N(CCc1ccccc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001631327729 1100388313 /nfs/dbraw/zinc/38/83/13/1100388313.db2.gz FUFOQPDPQCXDOG-UHFFFAOYSA-N 0 0 329.356 2.789 10 5 EFBERN C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CCCOC1 ZINC001631336112 1100389431 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2.796 10 5 EFBERN Cc1cccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001631461179 1100400640 /nfs/dbraw/zinc/40/06/40/1100400640.db2.gz RJEBFQVDTRTLQZ-INIZCTEOSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1ccc(CO)cc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001631504602 1100405002 /nfs/dbraw/zinc/40/50/02/1100405002.db2.gz IEOKTESTPVPTDD-UHFFFAOYSA-N 0 0 342.351 2.997 10 5 EFBERN C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001631500580 1100405253 /nfs/dbraw/zinc/40/52/53/1100405253.db2.gz LFTQIOAUYOKQBK-LLVKDONJSA-N 0 0 329.356 2.634 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001631523670 1100407500 /nfs/dbraw/zinc/40/75/00/1100407500.db2.gz MVUASDLSPYCWLT-UHFFFAOYSA-N 0 0 331.303 2.702 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C)c1OC ZINC001631592500 1100412144 /nfs/dbraw/zinc/41/21/44/1100412144.db2.gz NMHQAAKFLRUSOO-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN O=C(Nc1ccc(F)cc1NC1CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001631700847 1100420350 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EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC001631990507 1100445063 /nfs/dbraw/zinc/44/50/63/1100445063.db2.gz VRFNRSMOGYGSDA-MGPLVRAMSA-N 0 0 348.330 2.594 10 5 EFBERN O=C(Nc1cnn2c1CCCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001631987426 1100445270 /nfs/dbraw/zinc/44/52/70/1100445270.db2.gz UVMIEMQEYIKRKU-UHFFFAOYSA-N 0 0 325.328 2.861 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC001631990509 1100446359 /nfs/dbraw/zinc/44/63/59/1100446359.db2.gz VRFNRSMOGYGSDA-QLJPJBMISA-N 0 0 348.330 2.594 10 5 EFBERN Nc1ncc(C(=O)Nc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC001632053594 1100450542 /nfs/dbraw/zinc/45/05/42/1100450542.db2.gz ASRBAAHSTOWNFD-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN CNc1c(C(=O)N2Cc3cccc(OC)c3C2)cccc1[N+](=O)[O-] ZINC001632187963 1100458755 /nfs/dbraw/zinc/45/87/55/1100458755.db2.gz VVTBYUHZJIJHMD-UHFFFAOYSA-N 0 0 327.340 2.801 10 5 EFBERN CCc1c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1CC ZINC001632260527 1100463036 /nfs/dbraw/zinc/46/30/36/1100463036.db2.gz ONEWZZFPTQZYRX-UHFFFAOYSA-N 0 0 328.332 2.502 10 5 EFBERN Cc1cc(C(=O)N[C@H]2COc3c2ccc(C)c3C)c(N)c([N+](=O)[O-])c1 ZINC000729534122 1100467812 /nfs/dbraw/zinc/46/78/12/1100467812.db2.gz YZPGXMUOIULAHQ-AWEZNQCLSA-N 0 0 341.367 2.966 10 5 EFBERN CNc1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001632364078 1100468326 /nfs/dbraw/zinc/46/83/26/1100468326.db2.gz NSVJBUAOLQJRKN-UHFFFAOYSA-N 0 0 344.327 2.783 10 5 EFBERN CNc1cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC001632371899 1100469612 /nfs/dbraw/zinc/46/96/12/1100469612.db2.gz UKAYAKXQHHNHPS-UHFFFAOYSA-N 0 0 334.763 2.923 10 5 EFBERN Cc1ccc(CNC(=O)c2ccc3c(c2)CCN3C)cc1[N+](=O)[O-] ZINC001632368936 1100469665 /nfs/dbraw/zinc/46/96/65/1100469665.db2.gz DLBFWBLJZNVUSW-UHFFFAOYSA-N 0 0 325.368 2.826 10 5 EFBERN COc1ccccc1[C@H](C)N(OC)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001632412351 1100473290 /nfs/dbraw/zinc/47/32/90/1100473290.db2.gz HNFTWWSRZCNKAI-NSHDSACASA-N 0 0 345.355 2.950 10 5 EFBERN COc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC001632438259 1100474381 /nfs/dbraw/zinc/47/43/81/1100474381.db2.gz PWOZUBDCNAIQPA-UHFFFAOYSA-N 0 0 346.343 2.620 10 5 EFBERN Cc1cc(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)c(N)c([N+](=O)[O-])c1 ZINC001632454080 1100475195 /nfs/dbraw/zinc/47/51/95/1100475195.db2.gz FUYZUVNQPRSBFO-UHFFFAOYSA-N 0 0 338.323 2.579 10 5 EFBERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001632459784 1100476216 /nfs/dbraw/zinc/47/62/16/1100476216.db2.gz UOWQXYJVJZTACY-LSDHHAIUSA-N 0 0 335.404 2.717 10 5 EFBERN COc1ccc(NC(=O)c2ocnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001632510568 1100479550 /nfs/dbraw/zinc/47/95/50/1100479550.db2.gz GFPRKEFLLRXZKK-UHFFFAOYSA-N 0 0 331.206 2.863 10 5 EFBERN O=C(NCc1cc2c([nH]c1=O)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC001632538614 1100482104 /nfs/dbraw/zinc/48/21/04/1100482104.db2.gz QLBOBCZUJBLRFT-UHFFFAOYSA-N 0 0 345.330 2.643 10 5 EFBERN C/C=C/C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC ZINC001632616233 1100489016 /nfs/dbraw/zinc/48/90/16/1100489016.db2.gz VNEXGPUIILLXLU-TZNOJPMFSA-N 0 0 340.763 2.876 10 5 EFBERN CCn1c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)nc2cc(C)ccc21 ZINC001632715984 1100495137 /nfs/dbraw/zinc/49/51/37/1100495137.db2.gz ULIGQBGHEPCKNU-UHFFFAOYSA-N 0 0 348.750 2.902 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1cc(F)ccc1O)CC2 ZINC001632740410 1100498289 /nfs/dbraw/zinc/49/82/89/1100498289.db2.gz WLBADDQFRZOLMX-UHFFFAOYSA-N 0 0 330.315 2.880 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(O)cc(OC)c1 ZINC001632751156 1100498358 /nfs/dbraw/zinc/49/83/58/1100498358.db2.gz WWKCRRXCEKMYCO-UHFFFAOYSA-N 0 0 332.312 2.960 10 5 EFBERN COc1ccc2c(c1NC(=O)c1ccc([N+](=O)[O-])cc1N)CCC2 ZINC001632906822 1100508630 /nfs/dbraw/zinc/50/86/30/1100508630.db2.gz YRLAAOVNJMSPFY-UHFFFAOYSA-N 0 0 327.340 2.927 10 5 EFBERN CCc1nc2c(nccc2C(=O)NCc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC001632976381 1100511534 /nfs/dbraw/zinc/51/15/34/1100511534.db2.gz BQNHWYLDQXWCRX-UHFFFAOYSA-N 0 0 339.355 2.667 10 5 EFBERN O=C(NCc1cccc(C(F)F)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001632983662 1100513082 /nfs/dbraw/zinc/51/30/82/1100513082.db2.gz BVDMVTXBAUCKAW-AWEZNQCLSA-N 0 0 336.294 2.882 10 5 EFBERN C/C(=C/c1cccnc1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001633006716 1100515079 /nfs/dbraw/zinc/51/50/79/1100515079.db2.gz RAYAWXKAWWNFNJ-LCYFTJDESA-N 0 0 339.351 2.683 10 5 EFBERN C[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2cncnc21 ZINC001633009026 1100515690 /nfs/dbraw/zinc/51/56/90/1100515690.db2.gz UMKOLARJPNCJAC-JTQLQIEISA-N 0 0 346.774 2.727 10 5 EFBERN CN(CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccn1 ZINC001633060938 1100519042 /nfs/dbraw/zinc/51/90/42/1100519042.db2.gz UOLBARWWZJGBRI-UHFFFAOYSA-N 0 0 348.790 2.900 10 5 EFBERN O=C(NCc1ccns1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001633068540 1100519866 /nfs/dbraw/zinc/51/98/66/1100519866.db2.gz PHLGFNPPRNJAAM-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cnn2cccc(Cl)c12 ZINC001633260457 1100531624 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EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)Cc1noc(C2CC2)n1 ZINC001626407752 1100544069 /nfs/dbraw/zinc/54/40/69/1100544069.db2.gz BTHUIYNJMKKHCO-UHFFFAOYSA-N 0 0 334.307 2.575 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1c[nH]c(C(=O)N2CCCC2)c1 ZINC001633483199 1100544717 /nfs/dbraw/zinc/54/47/17/1100544717.db2.gz RTWYESLBMIANDC-UHFFFAOYSA-N 0 0 342.355 2.720 10 5 EFBERN CCn1ncc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC001633728233 1100561298 /nfs/dbraw/zinc/56/12/98/1100561298.db2.gz DIVASLRVQWUQTA-UHFFFAOYSA-N 0 0 347.331 2.897 10 5 EFBERN CCn1ncc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1C ZINC001633729520 1100561530 /nfs/dbraw/zinc/56/15/30/1100561530.db2.gz WEUHJGHFYQQWSM-UHFFFAOYSA-N 0 0 340.343 2.762 10 5 EFBERN Cc1cccnc1[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(C)C ZINC001633843945 1100569442 /nfs/dbraw/zinc/56/94/42/1100569442.db2.gz ZADDBQUAMULDTG-JTQLQIEISA-N 0 0 337.767 2.802 10 5 EFBERN Cc1cnccc1/C=C\C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001634130246 1100586651 /nfs/dbraw/zinc/58/66/51/1100586651.db2.gz XQAIGTKGWYGMSA-UQCOIBPSSA-N 0 0 339.351 2.601 10 5 EFBERN CC(=Cc1ccncc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634186784 1100589267 /nfs/dbraw/zinc/58/92/67/1100589267.db2.gz HWPYCDOODXNZAQ-FLIBITNWSA-N 0 0 337.339 2.586 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnc2[nH]ccc2c1 ZINC001634303502 1100598167 /nfs/dbraw/zinc/59/81/67/1100598167.db2.gz GRSULDDQEMSEOM-UHFFFAOYSA-N 0 0 325.328 2.863 10 5 EFBERN O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])s1 ZINC001634347405 1100601294 /nfs/dbraw/zinc/60/12/94/1100601294.db2.gz UDKNZYRYRCDHQF-LLVKDONJSA-N 0 0 331.353 2.860 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cnoc2C(C)C)cc([N+](=O)[O-])c1 ZINC001634348396 1100602429 /nfs/dbraw/zinc/60/24/29/1100602429.db2.gz YKNRLNLQNGKSOS-UHFFFAOYSA-N 0 0 333.300 2.745 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@H](Cc2ccccc2)C1 ZINC001634355820 1100602598 /nfs/dbraw/zinc/60/25/98/1100602598.db2.gz OACKKBJQLKKDGX-LLVKDONJSA-N 0 0 334.763 2.676 10 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/nfs/dbraw/zinc/61/86/24/1100618624.db2.gz QFNOBONEENBNPS-SUMWQHHRSA-N 0 0 341.367 2.827 10 5 EFBERN Cc1cc2sc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])nc2cc1F ZINC001634614429 1100618970 /nfs/dbraw/zinc/61/89/70/1100618970.db2.gz JPXNCLNYRCHBMY-UHFFFAOYSA-N 0 0 347.331 2.882 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001634728357 1100626250 /nfs/dbraw/zinc/62/62/50/1100626250.db2.gz BWKQDEQCSDJKHW-WDEREUQCSA-N 0 0 326.299 2.721 10 5 EFBERN CCNC(=O)Nc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001635145930 1100645928 /nfs/dbraw/zinc/64/59/28/1100645928.db2.gz ADUCOCZJYTUKKV-UHFFFAOYSA-N 0 0 336.279 2.721 10 5 EFBERN Cc1nnc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1C1CC1 ZINC001635140326 1100646184 /nfs/dbraw/zinc/64/61/84/1100646184.db2.gz FXUYZWPISDUEPC-UHFFFAOYSA-N 0 0 333.323 2.540 10 5 EFBERN C[C@]1(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCCC[C@@H]1O ZINC001635200089 1100648868 /nfs/dbraw/zinc/64/88/68/1100648868.db2.gz QVOKPDWZNCWBOX-SWLSCSKDSA-N 0 0 341.795 2.501 10 5 EFBERN Cc1cc(CO)cc(C)c1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001635212122 1100649419 /nfs/dbraw/zinc/64/94/19/1100649419.db2.gz BYTQDSDVGDXFDN-UHFFFAOYSA-N 0 0 332.331 2.773 10 5 EFBERN CC(C)(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nccs1 ZINC001635282295 1100653211 /nfs/dbraw/zinc/65/32/11/1100653211.db2.gz RPKAJLIEOXIUCT-UHFFFAOYSA-N 0 0 345.384 2.522 10 5 EFBERN O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001635385817 1100659427 /nfs/dbraw/zinc/65/94/27/1100659427.db2.gz ZIODFMXNXVRUAL-UHFFFAOYSA-N 0 0 341.298 2.505 10 5 EFBERN COc1ccc(C(=O)CNC(=O)[C@H](F)c2ccccc2)cc1[N+](=O)[O-] ZINC001635396234 1100659846 /nfs/dbraw/zinc/65/98/46/1100659846.db2.gz PEXRBLHWTNUGBF-MRXNPFEDSA-N 0 0 346.314 2.613 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)n1 ZINC001635482723 1100663817 /nfs/dbraw/zinc/66/38/17/1100663817.db2.gz NUXJJOWSDALRPW-WPUCRFQZSA-N 0 0 347.415 2.700 10 5 EFBERN C/C=C/C=C/C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001635506116 1100665493 /nfs/dbraw/zinc/66/54/93/1100665493.db2.gz ZZTDAIDPQYHNHJ-WJPDYIDTSA-N 0 0 341.371 2.589 10 5 EFBERN COc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c(C)c1OC ZINC001635538650 1100666247 /nfs/dbraw/zinc/66/62/47/1100666247.db2.gz KSBSFZFYVQEVRB-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN CC1(C)CCC[C@@](O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001635542106 1100667052 /nfs/dbraw/zinc/66/70/52/1100667052.db2.gz RMTQUYGKRVMDFO-KRWDZBQOSA-N 0 0 335.404 2.628 10 5 EFBERN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CSC1 ZINC001635549550 1100667263 /nfs/dbraw/zinc/66/72/63/1100667263.db2.gz KTSXHIYVMUASKH-UHFFFAOYSA-N 0 0 349.334 2.647 10 5 EFBERN CCn1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])c(C(C)C)n1 ZINC001635569041 1100667889 /nfs/dbraw/zinc/66/78/89/1100667889.db2.gz YZJTXVQXSFLCNZ-UHFFFAOYSA-N 0 0 330.388 2.907 10 5 EFBERN Cc1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(O)c1C ZINC001635619822 1100670470 /nfs/dbraw/zinc/67/04/70/1100670470.db2.gz UQRFYTBARSJOQU-GOSISDBHSA-N 0 0 344.367 2.555 10 5 EFBERN O=C(Cc1ccnc(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001635681248 1100674515 /nfs/dbraw/zinc/67/45/15/1100674515.db2.gz JMRQLOVDWHXIKF-UHFFFAOYSA-N 0 0 329.331 2.863 10 5 EFBERN CCc1onc(C)c1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001635712652 1100675685 /nfs/dbraw/zinc/67/56/85/1100675685.db2.gz DCWXXRVSZVQGPT-UHFFFAOYSA-N 0 0 347.371 2.847 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](c2cnccn2)C1 ZINC001635791203 1100680222 /nfs/dbraw/zinc/68/02/22/1100680222.db2.gz AMVZICSWRDWTTC-NSHDSACASA-N 0 0 338.323 2.761 10 5 EFBERN CC(C)(C(=O)N1CC[C@H](c2ncccn2)C1)c1ccccc1[N+](=O)[O-] ZINC001635804578 1100681377 /nfs/dbraw/zinc/68/13/77/1100681377.db2.gz VIGHGAWOKOXIIC-ZDUSSCGKSA-N 0 0 340.383 2.679 10 5 EFBERN CCCc1cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC001635926190 1100687779 /nfs/dbraw/zinc/68/77/79/1100687779.db2.gz NITOKMHQKAGWEL-UHFFFAOYSA-N 0 0 329.356 2.886 10 5 EFBERN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001635921707 1100687828 /nfs/dbraw/zinc/68/78/28/1100687828.db2.gz XOOOXAAPMBOCKL-OAHLLOKOSA-N 0 0 343.383 2.507 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(C(F)(F)F)n[nH]2)cc1[N+](=O)[O-] ZINC001635925923 1100688162 /nfs/dbraw/zinc/68/81/62/1100688162.db2.gz IPWHLNYDOJJBDJ-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cn2cccnc2n1 ZINC001635986923 1100691021 /nfs/dbraw/zinc/69/10/21/1100691021.db2.gz NDWIFTBNQINBNA-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCc2ccc(O)cc2C1 ZINC001636027399 1100694716 /nfs/dbraw/zinc/69/47/16/1100694716.db2.gz YCHTUBNGGOLSEC-UHFFFAOYSA-N 0 0 330.315 2.567 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001636147350 1100703127 /nfs/dbraw/zinc/70/31/27/1100703127.db2.gz UFKONPYTMMIPGQ-UHFFFAOYSA-N 0 0 330.315 2.732 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2C[C@@H](CO)c3ccccc32)cc1[N+](=O)[O-] ZINC001636169656 1100703634 /nfs/dbraw/zinc/70/36/34/1100703634.db2.gz DEDRJTISIBEHKY-JTQLQIEISA-N 0 0 347.758 2.567 10 5 EFBERN COc1cccc(O)c1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001636247548 1100709137 /nfs/dbraw/zinc/70/91/37/1100709137.db2.gz VMVIBOCULPTTCR-UHFFFAOYSA-N 0 0 336.731 2.892 10 5 EFBERN C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001636283766 1100711328 /nfs/dbraw/zinc/71/13/28/1100711328.db2.gz BBPZBJRBBOLQJI-ZDUSSCGKSA-N 0 0 347.415 2.511 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC001636298568 1100712067 /nfs/dbraw/zinc/71/20/67/1100712067.db2.gz UCVYTFUGYSXAGC-LLVKDONJSA-N 0 0 348.790 2.578 10 5 EFBERN Cc1ncc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)s1 ZINC000050708489 1100717992 /nfs/dbraw/zinc/71/79/92/1100717992.db2.gz IZZWSPZSNKZDQJ-UHFFFAOYSA-N 0 0 326.765 2.525 10 5 EFBERN CCc1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1O ZINC001636467467 1100720916 /nfs/dbraw/zinc/72/09/16/1100720916.db2.gz SAEGFAFPLRFXQM-UHFFFAOYSA-N 0 0 332.360 2.705 10 5 EFBERN Nc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001636542896 1100724790 /nfs/dbraw/zinc/72/47/90/1100724790.db2.gz UNVUFUWPOUUITI-HNNXBMFYSA-N 0 0 325.368 2.854 10 5 EFBERN CCCCCN(CCO)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636553656 1100725474 /nfs/dbraw/zinc/72/54/74/1100725474.db2.gz GRKOTTQGJPWBQY-UHFFFAOYSA-N 0 0 328.796 2.802 10 5 EFBERN CC(C)(C(=O)Nc1nccc2ccccc21)n1cc([N+](=O)[O-])cn1 ZINC001636544806 1100725604 /nfs/dbraw/zinc/72/56/04/1100725604.db2.gz SAMPJHGCISBGCS-UHFFFAOYSA-N 0 0 325.328 2.713 10 5 EFBERN Nc1c(C(=O)N2CCC[C@@H](CCO)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001636643435 1100731060 /nfs/dbraw/zinc/73/10/60/1100731060.db2.gz FTFZQEQOKYSRHX-LBPRGKRZSA-N 0 0 343.383 2.565 10 5 EFBERN Cc1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)c(N)c1[N+](=O)[O-] ZINC001636724094 1100734161 /nfs/dbraw/zinc/73/41/61/1100734161.db2.gz NVHSHTVCEPDHEC-UHFFFAOYSA-N 0 0 333.731 2.960 10 5 EFBERN Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001636723783 1100734275 /nfs/dbraw/zinc/73/42/75/1100734275.db2.gz AXKGCZGISGXJSY-PXAZEXFGSA-N 0 0 343.383 2.897 10 5 EFBERN Cc1ccc(NC(=O)Cc2noc3ccccc23)c(N)c1[N+](=O)[O-] ZINC001636724233 1100734363 /nfs/dbraw/zinc/73/43/63/1100734363.db2.gz STMGTJIHAVEJRY-UHFFFAOYSA-N 0 0 326.312 2.808 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2)c(N)c1[N+](=O)[O-] ZINC001636729092 1100734753 /nfs/dbraw/zinc/73/47/53/1100734753.db2.gz MTUVSSIRJZUXKD-ZDUSSCGKSA-N 0 0 340.383 2.950 10 5 EFBERN O=C(Nc1ccc(N2CCCC2=O)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC001636731714 1100735119 /nfs/dbraw/zinc/73/51/19/1100735119.db2.gz XZQFJNDUSHODBG-UHFFFAOYSA-N 0 0 344.302 2.508 10 5 EFBERN COc1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1C ZINC001636730833 1100735315 /nfs/dbraw/zinc/73/53/15/1100735315.db2.gz NBNOGIDDKHXRPG-INIZCTEOSA-N 0 0 346.339 2.593 10 5 EFBERN Cn1cccc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001636817922 1100739255 /nfs/dbraw/zinc/73/92/55/1100739255.db2.gz GPCPJYHWXHSBBP-UHFFFAOYSA-N 0 0 338.161 2.626 10 5 EFBERN CNc1ccc(C(=O)NCc2cc(F)cnc2Cl)cc1[N+](=O)[O-] ZINC001636819623 1100739443 /nfs/dbraw/zinc/73/94/43/1100739443.db2.gz MDHVLEDCDJFECV-UHFFFAOYSA-N 0 0 338.726 2.754 10 5 EFBERN COc1cccc(C(=O)NCc2nc3ccccc3o2)c1[N+](=O)[O-] ZINC001636829253 1100740180 /nfs/dbraw/zinc/74/01/80/1100740180.db2.gz VPYUSPBRBKGONR-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN COc1ccc2c(=O)[nH]n(C(=O)c3cc([N+](=O)[O-])c(F)cc3C)c2c1 ZINC001636906294 1100744371 /nfs/dbraw/zinc/74/43/71/1100744371.db2.gz ZUMBREOICOYCFA-UHFFFAOYSA-N 0 0 345.286 2.795 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccncc1)C1CC1 ZINC001636971231 1100747707 /nfs/dbraw/zinc/74/77/07/1100747707.db2.gz OTCRKCWCSNZIJP-OAHLLOKOSA-N 0 0 330.319 2.592 10 5 EFBERN CCn1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(C)n1 ZINC001637003203 1100750069 /nfs/dbraw/zinc/75/00/69/1100750069.db2.gz GIKHBODYYYXDRF-UHFFFAOYSA-N 0 0 340.343 2.762 10 5 EFBERN CCCn1ncc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1C1CC1 ZINC001637112719 1100757720 /nfs/dbraw/zinc/75/77/20/1100757720.db2.gz UBZKIHFBUBWOPI-UHFFFAOYSA-N 0 0 338.755 2.708 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](O)CCc1ccccc1 ZINC001637103569 1100757921 /nfs/dbraw/zinc/75/79/21/1100757921.db2.gz MLJNYANOZYUCBR-INIZCTEOSA-N 0 0 344.367 2.926 10 5 EFBERN O=C(Nc1cccc2n[nH]nc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001637131782 1100759592 /nfs/dbraw/zinc/75/95/92/1100759592.db2.gz KOXJFCNTAKTEER-UHFFFAOYSA-N 0 0 334.295 2.667 10 5 EFBERN CN(C)c1ccc2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)ccc2c1 ZINC001637163963 1100762578 /nfs/dbraw/zinc/76/25/78/1100762578.db2.gz LIBIBRHIBYZCTQ-UHFFFAOYSA-N 0 0 339.355 2.649 10 5 EFBERN COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C2 ZINC001637201580 1100764028 /nfs/dbraw/zinc/76/40/28/1100764028.db2.gz XMBGCVQLDBKVQB-CYBMUJFWSA-N 0 0 341.367 2.929 10 5 EFBERN COc1cccc(CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1OC ZINC001637197020 1100764131 /nfs/dbraw/zinc/76/41/31/1100764131.db2.gz WYRBNMQMTCOZBH-UHFFFAOYSA-N 0 0 345.355 2.766 10 5 EFBERN COc1ccc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)nc1 ZINC001637245108 1100767269 /nfs/dbraw/zinc/76/72/69/1100767269.db2.gz BOAGOANOJDKVNT-CQSZACIVSA-N 0 0 342.355 2.558 10 5 EFBERN C[C@H](Cc1cccnc1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001637241784 1100767370 /nfs/dbraw/zinc/76/73/70/1100767370.db2.gz DAOJGDXFCOWFOY-SECBINFHSA-N 0 0 334.763 2.586 10 5 EFBERN COc1ccc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)nc1 ZINC001637245107 1100767510 /nfs/dbraw/zinc/76/75/10/1100767510.db2.gz BOAGOANOJDKVNT-AWEZNQCLSA-N 0 0 342.355 2.558 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1C[C@@H](CO)c2ccccc21 ZINC001637278191 1100769142 /nfs/dbraw/zinc/76/91/42/1100769142.db2.gz IOYNWOSUCWYLMX-JTQLQIEISA-N 0 0 332.743 2.985 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC001637277190 1100769604 /nfs/dbraw/zinc/76/96/04/1100769604.db2.gz MXPMLPLRAATZRL-HAQNSBGRSA-N 0 0 334.372 2.753 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001637391544 1100779124 /nfs/dbraw/zinc/77/91/24/1100779124.db2.gz OUELMBPCWDOYHQ-UHFFFAOYSA-N 0 0 325.328 2.746 10 5 EFBERN CC1(C)CO[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001637481331 1100785649 /nfs/dbraw/zinc/78/56/49/1100785649.db2.gz VEFHGHIIBYPUPA-ZDUSSCGKSA-N 0 0 344.371 2.530 10 5 EFBERN CC(C)(C)c1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])s1 ZINC001637551278 1100789533 /nfs/dbraw/zinc/78/95/33/1100789533.db2.gz ABSUBEHATHOFHN-UHFFFAOYSA-N 0 0 334.401 2.861 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(=O)C[C@H]1c1ccccc1 ZINC001637598985 1100793818 /nfs/dbraw/zinc/79/38/18/1100793818.db2.gz COLOACQWWMJAHD-KRWDZBQOSA-N 0 0 339.351 2.723 10 5 EFBERN Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001637702206 1100800855 /nfs/dbraw/zinc/80/08/55/1100800855.db2.gz QSALNSJRXACOQW-NEPJUHHUSA-N 0 0 325.315 2.700 10 5 EFBERN C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C(F)(F)F)C1 ZINC001637819416 1100807948 /nfs/dbraw/zinc/80/79/48/1100807948.db2.gz FWXSFXCPRSXFHC-ICCXJUOJSA-N 0 0 346.305 2.818 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc2nc[nH]c(=O)c21 ZINC001637833050 1100809767 /nfs/dbraw/zinc/80/97/67/1100809767.db2.gz IIDMMHGXHZECAG-UHFFFAOYSA-N 0 0 342.286 2.943 10 5 EFBERN CC[C@@H](C)n1nccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001637907279 1100815944 /nfs/dbraw/zinc/81/59/44/1100815944.db2.gz XIEUGGQVCOUDQV-SECBINFHSA-N 0 0 328.332 2.891 10 5 EFBERN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001637940515 1100819451 /nfs/dbraw/zinc/81/94/51/1100819451.db2.gz AKRNGUGREQPEFK-SNVBAGLBSA-N 0 0 344.346 2.915 10 5 EFBERN CNc1ccc(C(=O)NCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC001637986295 1100822722 /nfs/dbraw/zinc/82/27/22/1100822722.db2.gz NUVHGSXISAUTKW-UHFFFAOYSA-N 0 0 326.312 2.708 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1nc2ccccc2o1 ZINC001637986620 1100823323 /nfs/dbraw/zinc/82/33/23/1100823323.db2.gz SKGKNKLJANSECQ-UHFFFAOYSA-N 0 0 345.286 2.570 10 5 EFBERN Cc1ccc(CC(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC001638001590 1100824928 /nfs/dbraw/zinc/82/49/28/1100824928.db2.gz SNKGCHXUKLUTKR-UHFFFAOYSA-N 0 0 342.355 2.664 10 5 EFBERN C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001637996935 1100825175 /nfs/dbraw/zinc/82/51/75/1100825175.db2.gz DACIOFMTVBGGQU-SNVBAGLBSA-N 0 0 339.355 2.634 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001638043465 1100826875 /nfs/dbraw/zinc/82/68/75/1100826875.db2.gz FXCIPQVTUWAGGO-VBNZEHGJSA-N 0 0 332.404 2.885 10 5 EFBERN COc1ccc(-c2cncc(C(=O)Nc3cc([N+](=O)[O-])n[nH]3)c2)cc1 ZINC001638123168 1100835361 /nfs/dbraw/zinc/83/53/61/1100835361.db2.gz MIMGIVYVWOTJDK-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc2c1OCC[C@H]2O ZINC001638172974 1100839155 /nfs/dbraw/zinc/83/91/55/1100839155.db2.gz NGWHLOXVUDLOHU-CQSZACIVSA-N 0 0 346.314 2.731 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1OCCc2sccc21 ZINC001638282949 1100846452 /nfs/dbraw/zinc/84/64/52/1100846452.db2.gz JJOMLPBXZDJVSK-RFAUZJTJSA-N 0 0 347.396 2.671 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1OCCc2sccc21 ZINC001638282948 1100846618 /nfs/dbraw/zinc/84/66/18/1100846618.db2.gz JJOMLPBXZDJVSK-PSLIRLAXSA-N 0 0 347.396 2.671 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001638356786 1100851137 /nfs/dbraw/zinc/85/11/37/1100851137.db2.gz IGNHQWVMQQYEAA-MLGOLLRUSA-N 0 0 335.404 2.896 10 5 EFBERN CC(C)[C@H](O)C1(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001638357184 1100851285 /nfs/dbraw/zinc/85/12/85/1100851285.db2.gz MGOGLWHMQPCXML-DOMZBBRYSA-N 0 0 335.404 2.752 10 5 EFBERN C[C@@H](NC(=O)N(C)Cc1cccc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001638360335 1100851364 /nfs/dbraw/zinc/85/13/64/1100851364.db2.gz RMGWRTGGRNUMMT-LLVKDONJSA-N 0 0 330.344 2.598 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001638358697 1100851661 /nfs/dbraw/zinc/85/16/61/1100851661.db2.gz ZEYHHAJTXJXGTD-BZNIZROVSA-N 0 0 347.346 2.828 10 5 EFBERN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001638375198 1100853368 /nfs/dbraw/zinc/85/33/68/1100853368.db2.gz ZSIOZGZIKVDXAP-UWVGGRQHSA-N 0 0 328.390 2.754 10 5 EFBERN CC[C@@](O)(CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001638381888 1100854041 /nfs/dbraw/zinc/85/40/41/1100854041.db2.gz UVKWBOSNVLRTLB-QGZVFWFLSA-N 0 0 329.356 2.803 10 5 EFBERN CC[C@](O)(CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001638381887 1100854222 /nfs/dbraw/zinc/85/42/22/1100854222.db2.gz UVKWBOSNVLRTLB-KRWDZBQOSA-N 0 0 329.356 2.803 10 5 EFBERN CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c2ccccc21 ZINC001638464704 1100862166 /nfs/dbraw/zinc/86/21/66/1100862166.db2.gz XSOFWDGFEGQNCE-AWEZNQCLSA-N 0 0 327.340 2.848 10 5 EFBERN CN(C[C@@](C)(O)c1ccccc1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001638538674 1100866663 /nfs/dbraw/zinc/86/66/63/1100866663.db2.gz PPMYNRLVBROCPS-QGZVFWFLSA-N 0 0 332.331 2.714 10 5 EFBERN CN(C[C@](C)(O)c1ccccc1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001638538673 1100866766 /nfs/dbraw/zinc/86/67/66/1100866766.db2.gz PPMYNRLVBROCPS-KRWDZBQOSA-N 0 0 332.331 2.714 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001638559283 1100868658 /nfs/dbraw/zinc/86/86/58/1100868658.db2.gz LIGYBISWXVIZAI-JTQLQIEISA-N 0 0 341.371 2.767 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)c1c(F)cccc1F ZINC001638558337 1100869284 /nfs/dbraw/zinc/86/92/84/1100869284.db2.gz FLPBDCBUGMJQHO-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1Cc2cccc(O)c2C1 ZINC001638577293 1100870637 /nfs/dbraw/zinc/87/06/37/1100870637.db2.gz JYDJNJCCQAGIGT-LBPRGKRZSA-N 0 0 346.770 2.780 10 5 EFBERN O=C(c1cc2c(o1)CCCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001638638300 1100875078 /nfs/dbraw/zinc/87/50/78/1100875078.db2.gz FWPXTCTWXRBHKD-UHFFFAOYSA-N 0 0 342.351 2.970 10 5 EFBERN Cc1csc(NCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC001638680943 1100877310 /nfs/dbraw/zinc/87/73/10/1100877310.db2.gz CUUQBCQBYFPYBB-UHFFFAOYSA-N 0 0 345.384 2.683 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1noc(C(F)(F)F)n1 ZINC001638687128 1100878731 /nfs/dbraw/zinc/87/87/31/1100878731.db2.gz SONDJYDYOQGKIV-RXMQYKEDSA-N 0 0 348.212 2.627 10 5 EFBERN O=C(Oc1ccc2c(c1)NC(=O)CC2)c1cc([N+](=O)[O-])ccc1F ZINC001638704377 1100879854 /nfs/dbraw/zinc/87/98/54/1100879854.db2.gz XDBKOJJLPDXFEL-UHFFFAOYSA-N 0 0 330.271 2.838 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001638707185 1100879917 /nfs/dbraw/zinc/87/99/17/1100879917.db2.gz FDEGTQSUKDSIMM-XJKSGUPXSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H](CNC(=O)N[C@H](CO)CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC001638708187 1100880184 /nfs/dbraw/zinc/88/01/84/1100880184.db2.gz XIAJOTIGLVSIBW-OCCSQVGLSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ncc[nH]1 ZINC001638723714 1100881279 /nfs/dbraw/zinc/88/12/79/1100881279.db2.gz DZASTTAMOJJWQF-VIFPVBQESA-N 0 0 343.368 2.932 10 5 EFBERN C[C@](O)(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001638727002 1100882404 /nfs/dbraw/zinc/88/24/04/1100882404.db2.gz KIXLCQTYVXVDMW-INIZCTEOSA-N 0 0 336.294 2.511 10 5 EFBERN C[C@@](O)(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001638727003 1100882531 /nfs/dbraw/zinc/88/25/31/1100882531.db2.gz KIXLCQTYVXVDMW-MRXNPFEDSA-N 0 0 336.294 2.511 10 5 EFBERN CC[C@@H](C)C[C@H](CO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001638746083 1100883459 /nfs/dbraw/zinc/88/34/59/1100883459.db2.gz CMCDYWIKGOWDND-DGCLKSJQSA-N 0 0 345.399 2.857 10 5 EFBERN O=C(Nc1nc2cc3c(cc2[nH]1)OCO3)c1cc(F)ccc1[N+](=O)[O-] ZINC001638836207 1100888946 /nfs/dbraw/zinc/88/89/46/1100888946.db2.gz GLCDYGFIEUANNB-UHFFFAOYSA-N 0 0 344.258 2.591 10 5 EFBERN C[C@H](C(=O)N1CCC(Cc2ncon2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001638838988 1100890468 /nfs/dbraw/zinc/89/04/68/1100890468.db2.gz ANXCWGNCRPQILY-LBPRGKRZSA-N 0 0 344.371 2.563 10 5 EFBERN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1C[NH+](C)C ZINC001638849112 1100891694 /nfs/dbraw/zinc/89/16/94/1100891694.db2.gz VKIJXCZFJLMYLG-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN CC1(C)CCC[C@@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000840207285 1100898654 /nfs/dbraw/zinc/89/86/54/1100898654.db2.gz URMJMMIBBBHDJV-CQSZACIVSA-N 0 0 345.355 2.636 10 5 EFBERN COCc1cc(O)ccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001638911330 1100898774 /nfs/dbraw/zinc/89/87/74/1100898774.db2.gz IXLKJPUTEHMKHF-UHFFFAOYSA-N 0 0 332.312 2.708 10 5 EFBERN CC(C)[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC001638936321 1100900650 /nfs/dbraw/zinc/90/06/50/1100900650.db2.gz JEGJXMLWSWXGIX-AWEZNQCLSA-N 0 0 342.399 2.817 10 5 EFBERN CC(C)CN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001638948758 1100901521 /nfs/dbraw/zinc/90/15/21/1100901521.db2.gz BKTLHTOTCBXPOW-UHFFFAOYSA-N 0 0 328.372 2.870 10 5 EFBERN O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001638975798 1100902912 /nfs/dbraw/zinc/90/29/12/1100902912.db2.gz WZPOSBNSQZBBKN-MJHDQNEOSA-N 0 0 345.380 2.749 10 5 EFBERN Nc1ncc(C(=O)NC2(Cc3cccc(F)c3)CCC2)cc1[N+](=O)[O-] ZINC001639070882 1100909612 /nfs/dbraw/zinc/90/96/12/1100909612.db2.gz PVCKKHDIHBPXGH-UHFFFAOYSA-N 0 0 344.346 2.606 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-c2cnco2)cc1 ZINC001639096490 1100912319 /nfs/dbraw/zinc/91/23/19/1100912319.db2.gz CHLPQHCXCSLACN-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(Cl)c1 ZINC001639124542 1100916038 /nfs/dbraw/zinc/91/60/38/1100916038.db2.gz VUQJZVDZTLGOST-UHFFFAOYSA-N 0 0 335.747 2.972 10 5 EFBERN Cc1ccc(C(=O)Nc2c[nH]nc2Br)cc1[N+](=O)[O-] ZINC001639152224 1100920177 /nfs/dbraw/zinc/92/01/77/1100920177.db2.gz FLJMLSARYQJTFO-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN NC(=O)OC[C@H](Cc1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC001639194535 1100923539 /nfs/dbraw/zinc/92/35/39/1100923539.db2.gz SFHCFPFUBANBOJ-LBPRGKRZSA-N 0 0 349.368 2.507 10 5 EFBERN CCOc1nc(NCCNc2ccccc2[N+](=O)[O-])ncc1Cl ZINC001639200687 1100923923 /nfs/dbraw/zinc/92/39/23/1100923923.db2.gz LGSXHWVVRCDISX-UHFFFAOYSA-N 0 0 337.767 2.961 10 5 EFBERN NC(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC001639194534 1100924238 /nfs/dbraw/zinc/92/42/38/1100924238.db2.gz SFHCFPFUBANBOJ-GFCCVEGCSA-N 0 0 349.368 2.507 10 5 EFBERN COc1ccc(CC(=O)O[C@H]2CCCC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000840223581 1100927137 /nfs/dbraw/zinc/92/71/37/1100927137.db2.gz WONDWZGPOJIPOX-AWEZNQCLSA-N 0 0 335.356 2.837 10 5 EFBERN COc1cccc(SC)c1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001639358459 1100942326 /nfs/dbraw/zinc/94/23/26/1100942326.db2.gz PSNIJQXMOPZAIQ-UHFFFAOYSA-N 0 0 334.357 2.555 10 5 EFBERN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1nn(C)cc1[N+](=O)[O-] ZINC001639368741 1100942495 /nfs/dbraw/zinc/94/24/95/1100942495.db2.gz ZWZBUSJCHRZLPE-GDBMZVCRSA-N 0 0 330.388 2.932 10 5 EFBERN O=C(N[C@H](Cc1ccccc1)c1ncon1)c1csc([N+](=O)[O-])c1 ZINC001639394303 1100944242 /nfs/dbraw/zinc/94/42/42/1100944242.db2.gz RQNTYZDYWUOZOV-GFCCVEGCSA-N 0 0 344.352 2.753 10 5 EFBERN C[C@H](C(=O)Nc1cnc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001639404294 1100945202 /nfs/dbraw/zinc/94/52/02/1100945202.db2.gz LJCOQOVJEAMSFY-QMMMGPOBSA-N 0 0 329.291 2.747 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC001639432821 1100947758 /nfs/dbraw/zinc/94/77/58/1100947758.db2.gz BQMIVZIVKTYFMY-NSHDSACASA-N 0 0 343.387 2.660 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1nccc2ccc(C)cc21 ZINC001639450386 1100950786 /nfs/dbraw/zinc/95/07/86/1100950786.db2.gz ZVBGEHWUFVUJEW-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN Cc1ccc([C@H](O)CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])o1 ZINC001639516224 1100957016 /nfs/dbraw/zinc/95/70/16/1100957016.db2.gz GQDHOEGVZHGLTI-CQSZACIVSA-N 0 0 331.303 2.751 10 5 EFBERN C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Oc1cccc(F)c1 ZINC001639539609 1100959774 /nfs/dbraw/zinc/95/97/74/1100959774.db2.gz NMSGHDYGXRUJRU-SNVBAGLBSA-N 0 0 333.319 2.712 10 5 EFBERN C[C@@H]1CN=C(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)S1 ZINC001639571480 1100961901 /nfs/dbraw/zinc/96/19/01/1100961901.db2.gz KHYNHOMHEMGOMG-MRVPVSSYSA-N 0 0 348.409 2.939 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cc(CO)ccn1 ZINC001639605062 1100966079 /nfs/dbraw/zinc/96/60/79/1100966079.db2.gz LUUWPUKTZDDHOX-UHFFFAOYSA-N 0 0 335.747 2.707 10 5 EFBERN Cc1ccc([S@@](C)(=O)=NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001639628468 1100968660 /nfs/dbraw/zinc/96/86/60/1100968660.db2.gz FISOCWUZLQKACJ-HSZRJFAPSA-N 0 0 333.369 2.783 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C(F)F)no2)c1 ZINC001639633073 1100968756 /nfs/dbraw/zinc/96/87/56/1100968756.db2.gz QOAMGYMDJPAMSU-UHFFFAOYSA-N 0 0 344.299 2.567 10 5 EFBERN CC1(C)CC[C@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)OC1 ZINC001639637726 1100969159 /nfs/dbraw/zinc/96/91/59/1100969159.db2.gz DWOVEIMVHFZUPB-LLVKDONJSA-N 0 0 339.367 2.641 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2cnccc2c1 ZINC001639664028 1100971635 /nfs/dbraw/zinc/97/16/35/1100971635.db2.gz YLTOYVPJCUBTGH-UHFFFAOYSA-N 0 0 347.334 2.949 10 5 EFBERN O=C(CCCc1nccs1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001639663241 1100971725 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346.770 2.954 10 5 EFBERN Cc1ccc(O)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC001639735676 1100979333 /nfs/dbraw/zinc/97/93/33/1100979333.db2.gz FRGWGMMZOYDGRV-UHFFFAOYSA-N 0 0 339.311 2.646 10 5 EFBERN CN(C[C@H]1CCCO1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001639745464 1100979374 /nfs/dbraw/zinc/97/93/74/1100979374.db2.gz LOTQHGQFWGYXFS-LLVKDONJSA-N 0 0 332.316 2.666 10 5 EFBERN CC(C)c1nnc([C@@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[nH]1 ZINC001639737820 1100980268 /nfs/dbraw/zinc/98/02/68/1100980268.db2.gz HYKYGYSIEKVOND-ZCFIWIBFSA-N 0 0 347.301 2.762 10 5 EFBERN CCC1(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCCCC1 ZINC001639749150 1100981104 /nfs/dbraw/zinc/98/11/04/1100981104.db2.gz CJASOMMVORCLMS-UHFFFAOYSA-N 0 0 349.435 2.994 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1C[C@H](O)Cc2ccccc21 ZINC001639762006 1100982540 /nfs/dbraw/zinc/98/25/40/1100982540.db2.gz MPNCDKUQWBFNGW-LLVKDONJSA-N 0 0 332.743 2.812 10 5 EFBERN CCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 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Cc1noc2ncc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)cc12 ZINC001639993347 1101000517 /nfs/dbraw/zinc/00/05/17/1101000517.db2.gz SHOSATPMMRIFIG-UHFFFAOYSA-N 0 0 327.300 2.582 10 5 EFBERN Cc1ccc(NC(=O)c2cc(-c3ccccn3)no2)c(N)c1[N+](=O)[O-] ZINC001639997184 1101000570 /nfs/dbraw/zinc/00/05/70/1101000570.db2.gz DEOCAHJVRNESCF-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN CN1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3F)ccc2C1=O ZINC001639999933 1101001483 /nfs/dbraw/zinc/00/14/83/1101001483.db2.gz PHMDXBDDFWSZCT-UHFFFAOYSA-N 0 0 343.314 2.614 10 5 EFBERN Cc1ccc(NC(=O)c2cccc3c2CCOC3)c(N)c1[N+](=O)[O-] ZINC001640000790 1101001590 /nfs/dbraw/zinc/00/15/90/1101001590.db2.gz IVFDMAXFFLYCPM-UHFFFAOYSA-N 0 0 327.340 2.810 10 5 EFBERN Cc1ccc(NC(=O)c2cncc(OC(C)C)c2)c(N)c1[N+](=O)[O-] ZINC001639997669 1101001923 /nfs/dbraw/zinc/00/19/23/1101001923.db2.gz YHUIBHPRKOIBCJ-UHFFFAOYSA-N 0 0 330.344 2.920 10 5 EFBERN CNC(=O)c1ccc(Sc2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC001640018183 1101006328 /nfs/dbraw/zinc/00/63/28/1101006328.db2.gz GRARWZRQIIYQTJ-UHFFFAOYSA-N 0 0 328.353 2.982 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]cc1C(=O)OC(C)(C)C ZINC001640029513 1101007533 /nfs/dbraw/zinc/00/75/33/1101007533.db2.gz HIWJCMUDPGGKDE-UHFFFAOYSA-N 0 0 346.343 2.834 10 5 EFBERN O=C(NCc1ccc(-c2cccs2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC001640047911 1101008729 /nfs/dbraw/zinc/00/87/29/1101008729.db2.gz MFFHQBJBHPCKQT-UHFFFAOYSA-N 0 0 328.353 2.976 10 5 EFBERN Nc1c(C(=O)NCc2ccc(-c3cnco3)cc2)cccc1[N+](=O)[O-] ZINC001640051004 1101009173 /nfs/dbraw/zinc/00/91/73/1101009173.db2.gz HEFQPAOQWSNKDN-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(-c2nncnn2)cc1 ZINC001640104995 1101014792 /nfs/dbraw/zinc/01/47/92/1101014792.db2.gz BJPIPXGNASZUET-UHFFFAOYSA-N 0 0 326.291 2.593 10 5 EFBERN CNC(=O)c1ccc(N[C@H](c2ccccc2F)[C@H](C)O)c([N+](=O)[O-])c1 ZINC001640116117 1101015769 /nfs/dbraw/zinc/01/57/69/1101015769.db2.gz GERAFEKVRLZNQI-QFYYESIMSA-N 0 0 347.346 2.628 10 5 EFBERN O=c1[nH]nc(Cl)cc1SCCOc1ccc([N+](=O)[O-])cc1 ZINC001640209354 1101023833 /nfs/dbraw/zinc/02/38/33/1101023833.db2.gz QAZVBUGVTNGLQQ-UHFFFAOYSA-N 0 0 327.749 2.915 10 5 EFBERN CCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1C ZINC001640231671 1101025839 /nfs/dbraw/zinc/02/58/39/1101025839.db2.gz XZRAHKKCXDTONZ-UHFFFAOYSA-N 0 0 330.344 2.930 10 5 EFBERN Cc1cc(NCc2ccnc(F)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640224086 1101026054 /nfs/dbraw/zinc/02/60/54/1101026054.db2.gz IPWBFGGBHRLFQY-UHFFFAOYSA-N 0 0 339.330 2.928 10 5 EFBERN Cc1cc(Cl)c(C(=O)N2CCO[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001640248796 1101027967 /nfs/dbraw/zinc/02/79/67/1101027967.db2.gz VKVSEHVVINFETF-LLVKDONJSA-N 0 0 338.669 2.917 10 5 EFBERN CS(C)(=O)=NC(=O)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001640258381 1101029674 /nfs/dbraw/zinc/02/96/74/1101029674.db2.gz FMFVQRSXXPHBNB-UHFFFAOYSA-N 0 0 340.188 2.568 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001640265243 1101030108 /nfs/dbraw/zinc/03/01/08/1101030108.db2.gz KAZYULAXSUPHKT-HZPDHXFCSA-N 0 0 334.759 2.877 10 5 EFBERN O=C1Nc2ccccc2C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001640262989 1101030484 /nfs/dbraw/zinc/03/04/84/1101030484.db2.gz XPPAPEHHXDEVFJ-OAHLLOKOSA-N 0 0 335.323 2.513 10 5 EFBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1Cc2ccncc2C1 ZINC001640263258 1101030949 /nfs/dbraw/zinc/03/09/49/1101030949.db2.gz RQIDVXIGTPHHMP-UHFFFAOYSA-N 0 0 348.156 2.908 10 5 EFBERN COc1cncc(N2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)c1 ZINC001640277393 1101031559 /nfs/dbraw/zinc/03/15/59/1101031559.db2.gz DONGWBFLFSEJQL-UHFFFAOYSA-N 0 0 328.372 2.633 10 5 EFBERN CCOC(=O)c1ccnc(NCC[C@H](O)C2CCCC2)c1[N+](=O)[O-] ZINC001640303394 1101034000 /nfs/dbraw/zinc/03/40/00/1101034000.db2.gz LGHPORWDYUZQHX-ZDUSSCGKSA-N 0 0 337.376 2.520 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1c(F)cncc1F ZINC001640333056 1101035864 /nfs/dbraw/zinc/03/58/64/1101035864.db2.gz DOKWVHWTLQEQIT-ZETCQYMHSA-N 0 0 325.246 2.898 10 5 EFBERN O=C1Nc2ccccc2[C@@]1(O)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC001640350638 1101038459 /nfs/dbraw/zinc/03/84/59/1101038459.db2.gz MVKAABSKFOMFPV-INIZCTEOSA-N 0 0 347.758 2.890 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2nccc3ccc(C)cc32)c1[N+](=O)[O-] ZINC001640398537 1101042288 /nfs/dbraw/zinc/04/22/88/1101042288.db2.gz YFYKKZPIEJSJFJ-UHFFFAOYSA-N 0 0 325.328 2.989 10 5 EFBERN Cc1cc(=O)[nH]c(N2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC001640403035 1101043919 /nfs/dbraw/zinc/04/39/19/1101043919.db2.gz BOZHLAZDPXWFJU-LLVKDONJSA-N 0 0 349.778 2.743 10 5 EFBERN CCc1nccn1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001640407809 1101044028 /nfs/dbraw/zinc/04/40/28/1101044028.db2.gz LAFRYKZDLSHRJW-UHFFFAOYSA-N 0 0 329.282 2.880 10 5 EFBERN C[C@@](O)(CNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC001640432312 1101045933 /nfs/dbraw/zinc/04/59/33/1101045933.db2.gz YAKHSCUMZZJWQP-QGZVFWFLSA-N 0 0 342.330 2.997 10 5 EFBERN Cc1cc(Cl)c(C(=O)N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001640441658 1101047300 /nfs/dbraw/zinc/04/73/00/1101047300.db2.gz BWWWIHFPVOMQHJ-GRYCIOLGSA-N 0 0 338.791 2.790 10 5 EFBERN CNc1cc(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])ccn1 ZINC001640438731 1101047529 /nfs/dbraw/zinc/04/75/29/1101047529.db2.gz PRQKXUMMTFVUJS-UHFFFAOYSA-N 0 0 339.355 2.622 10 5 EFBERN CCOCCOCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001640448963 1101047889 /nfs/dbraw/zinc/04/78/89/1101047889.db2.gz CEDMWOYHZBWWNJ-UHFFFAOYSA-N 0 0 339.779 2.683 10 5 EFBERN Cc1[nH]nc(C(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001640461820 1101048780 /nfs/dbraw/zinc/04/87/80/1101048780.db2.gz DDPUYROGNSOCOE-JOCHJYFZSA-N 0 0 342.764 2.577 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H]2CCOC23CCCCC3)c1[N+](=O)[O-] ZINC001640493742 1101052260 /nfs/dbraw/zinc/05/22/60/1101052260.db2.gz SRFIJKNZYYQBFC-CYBMUJFWSA-N 0 0 349.387 2.989 10 5 EFBERN COc1cnc([C@H]2CCCN2c2cc(C)ccc2[N+](=O)[O-])[nH]c1=O ZINC001640502886 1101053293 /nfs/dbraw/zinc/05/32/93/1101053293.db2.gz VYZYDTAUKNQSBQ-GFCCVEGCSA-N 0 0 330.344 2.749 10 5 EFBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cnn1-c1ccc(F)cc1F ZINC001640505574 1101053802 /nfs/dbraw/zinc/05/38/02/1101053802.db2.gz NBUQSGDDIZTSSI-UHFFFAOYSA-N 0 0 347.281 2.948 10 5 EFBERN Cc1cc(Oc2cc3c(cc2[N+](=O)[O-])OCCO3)ncc1[N+](=O)[O-] ZINC001640529868 1101056115 /nfs/dbraw/zinc/05/61/15/1101056115.db2.gz UFGFQCGWXHZOGJ-UHFFFAOYSA-N 0 0 333.256 2.770 10 5 EFBERN CN(C[Si](C)(C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001640544199 1101057138 /nfs/dbraw/zinc/05/71/38/1101057138.db2.gz CEHRLXXMYLFHOD-UHFFFAOYSA-N 0 0 339.424 2.771 10 5 EFBERN Cc1cc2c(N3CC(Nc4cc(C)sc4[N+](=O)[O-])C3)nccn2n1 ZINC001640536315 1101057157 /nfs/dbraw/zinc/05/71/57/1101057157.db2.gz SQGHZHSNIMILNF-UHFFFAOYSA-N 0 0 344.400 2.617 10 5 EFBERN Nc1c(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC001640647285 1101068718 /nfs/dbraw/zinc/06/87/18/1101068718.db2.gz XFPIXMYSZRCSIV-CHWSQXEVSA-N 0 0 343.358 2.925 10 5 EFBERN Cn1nc(C(F)(F)F)cc1COc1ccc([N+](=O)[O-])cc1C=O ZINC001640657358 1101069332 /nfs/dbraw/zinc/06/93/32/1101069332.db2.gz JUUDDDDDQBRXCL-UHFFFAOYSA-N 0 0 329.234 2.739 10 5 EFBERN CCCNC(=O)CCCOC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000840438149 1101074620 /nfs/dbraw/zinc/07/46/20/1101074620.db2.gz WKQQIFKZUXALIX-OUKQBFOZSA-N 0 0 334.372 2.848 10 5 EFBERN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c(-c2ccco2)n1 ZINC001640770073 1101077155 /nfs/dbraw/zinc/07/71/55/1101077155.db2.gz GVTGYWNDBWTVPR-UHFFFAOYSA-N 0 0 330.275 2.980 10 5 EFBERN CO[C@@H]([C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001640789078 1101078073 /nfs/dbraw/zinc/07/80/73/1101078073.db2.gz HAUTVROQMPGMIN-PSLIRLAXSA-N 0 0 326.780 2.720 10 5 EFBERN C[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCc2ccccc21 ZINC001640790370 1101079866 /nfs/dbraw/zinc/07/98/66/1101079866.db2.gz KEODCTAQFACDGG-SECBINFHSA-N 0 0 334.763 2.773 10 5 EFBERN C[C@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCc2ccccc21 ZINC001640790371 1101079894 /nfs/dbraw/zinc/07/98/94/1101079894.db2.gz KEODCTAQFACDGG-VIFPVBQESA-N 0 0 334.763 2.773 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2CC3(CCC3)C2)C1=O ZINC001640857200 1101085147 /nfs/dbraw/zinc/08/51/47/1101085147.db2.gz ANUSQXLIWFAYTE-KRWDZBQOSA-N 0 0 343.383 2.942 10 5 EFBERN CNc1ccc(C(=O)Nc2nc3c(s2)CCCC3=O)cc1[N+](=O)[O-] ZINC001640888907 1101086325 /nfs/dbraw/zinc/08/63/25/1101086325.db2.gz IZHYTVDTVDSDEX-UHFFFAOYSA-N 0 0 346.368 2.864 10 5 EFBERN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001640889508 1101086501 /nfs/dbraw/zinc/08/65/01/1101086501.db2.gz ONFLCRLECOCWPD-JTQLQIEISA-N 0 0 346.362 2.873 10 5 EFBERN Cc1noc([C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C(C)C)n1 ZINC001640944371 1101090340 /nfs/dbraw/zinc/09/03/40/1101090340.db2.gz LVMLKUSQURJRHF-AWEZNQCLSA-N 0 0 343.343 2.895 10 5 EFBERN C/C(=C/C(=O)N1CCCc2c(cnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000840492889 1101096227 /nfs/dbraw/zinc/09/62/27/1101096227.db2.gz WQFUGOZEUQUGGN-RAXLEYEMSA-N 0 0 340.383 2.707 10 5 EFBERN Cc1cc(C(=O)N2NC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001641029168 1101096979 /nfs/dbraw/zinc/09/69/79/1101096979.db2.gz XCTGKSYDSJXXAH-OAHLLOKOSA-N 0 0 325.324 2.522 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1Cl ZINC001641076566 1101100249 /nfs/dbraw/zinc/10/02/49/1101100249.db2.gz QUEGGWOSDUOEFW-UHFFFAOYSA-N 0 0 332.703 2.508 10 5 EFBERN Cn1cc(COc2cc(Br)cc(F)c2F)c([N+](=O)[O-])n1 ZINC001641087239 1101101513 /nfs/dbraw/zinc/10/15/13/1101101513.db2.gz URYQTDVJCJKMKN-UHFFFAOYSA-N 0 0 348.103 2.948 10 5 EFBERN COc1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC001641150574 1101107309 /nfs/dbraw/zinc/10/73/09/1101107309.db2.gz PGHGCRDJSPARFI-UHFFFAOYSA-N 0 0 336.731 2.892 10 5 EFBERN CN(Cc1cccs1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC001641141200 1101107993 /nfs/dbraw/zinc/10/79/93/1101107993.db2.gz CVEDNYMKJPXYSN-UHFFFAOYSA-N 0 0 342.323 2.972 10 5 EFBERN COc1cccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])OC)c1 ZINC001641146595 1101108056 /nfs/dbraw/zinc/10/80/56/1101108056.db2.gz IVLIFQBQLTWLFB-INIZCTEOSA-N 0 0 348.330 2.860 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](CO)c2ccccc21 ZINC001641232679 1101117566 /nfs/dbraw/zinc/11/75/66/1101117566.db2.gz GXWCUFBETMZGPS-JTQLQIEISA-N 0 0 332.743 2.985 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC001641251020 1101118776 /nfs/dbraw/zinc/11/87/76/1101118776.db2.gz VQOZFFWGGNZDDL-VIFPVBQESA-N 0 0 346.290 2.667 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C12CCCCC2 ZINC001641277114 1101121365 /nfs/dbraw/zinc/12/13/65/1101121365.db2.gz UPWPZQVUULMODQ-ZIAGYGMSSA-N 0 0 349.387 2.553 10 5 EFBERN COC(=O)c1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001641283708 1101122357 /nfs/dbraw/zinc/12/23/57/1101122357.db2.gz BLSNOIGIJPEXLW-UONOGXRCSA-N 0 0 341.323 2.519 10 5 EFBERN O=C(NC1CC(=O)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001641296915 1101122956 /nfs/dbraw/zinc/12/29/56/1101122956.db2.gz KBAHHEWZAZRDCI-UHFFFAOYSA-N 0 0 340.335 2.635 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000840540843 1101128038 /nfs/dbraw/zinc/12/80/38/1101128038.db2.gz DJBGFSRBGJRBFY-HOQBHHMFSA-N 0 0 340.326 2.663 10 5 EFBERN CC(=O)c1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001641379000 1101131057 /nfs/dbraw/zinc/13/10/57/1101131057.db2.gz LXOGSSQSGPEUMU-UHFFFAOYSA-N 0 0 346.314 2.632 10 5 EFBERN CCC(CC)CCCN(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001641414985 1101133847 /nfs/dbraw/zinc/13/38/47/1101133847.db2.gz UBAJUFVSYITLKB-UHFFFAOYSA-N 0 0 349.431 2.999 10 5 EFBERN Cc1cc(C(=O)Nc2cnn([C@H]3CCCCO3)c2)c(N)c([N+](=O)[O-])c1 ZINC001641421108 1101134293 /nfs/dbraw/zinc/13/42/93/1101134293.db2.gz BYJRHYPZLHBWEW-CQSZACIVSA-N 0 0 345.359 2.633 10 5 EFBERN Cc1cc(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)nc(C)n1 ZINC001641441501 1101136191 /nfs/dbraw/zinc/13/61/91/1101136191.db2.gz XRMCWWNMFRXMGL-UHFFFAOYSA-N 0 0 344.762 2.962 10 5 EFBERN Cc1ccc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)nc1Cl ZINC001641461631 1101138500 /nfs/dbraw/zinc/13/85/00/1101138500.db2.gz KGVWNZCPBTYRCJ-UHFFFAOYSA-N 0 0 330.735 2.653 10 5 EFBERN CCC(C)(C)C(=O)COC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000840574838 1101143078 /nfs/dbraw/zinc/14/30/78/1101143078.db2.gz XDFKNHCRMCGXKM-UHFFFAOYSA-N 0 0 329.299 2.964 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641556405 1101146555 /nfs/dbraw/zinc/14/65/55/1101146555.db2.gz YHJOTVRAHGBVRC-NUEKZKHPSA-N 0 0 346.770 2.954 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ncc[nH]1 ZINC001641590741 1101149420 /nfs/dbraw/zinc/14/94/20/1101149420.db2.gz SYGPBXLZKDVOOA-ZETCQYMHSA-N 0 0 339.149 2.571 10 5 EFBERN O=C(OCc1cccc([N+](=O)[O-])c1Br)[C@H](O)C1CCC1 ZINC000840581742 1101149881 /nfs/dbraw/zinc/14/98/81/1101149881.db2.gz FSEKRTLSDQSUSL-GFCCVEGCSA-N 0 0 344.161 2.562 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC001641614571 1101151359 /nfs/dbraw/zinc/15/13/59/1101151359.db2.gz IKGURUKPJPHSHO-DGCLKSJQSA-N 0 0 336.392 2.519 10 5 EFBERN COC(CNC(=O)c1ccc([N+](=O)[O-])cc1F)(OC)c1ccccc1 ZINC001641658341 1101154068 /nfs/dbraw/zinc/15/40/68/1101154068.db2.gz HGMZDFHJYFIADD-UHFFFAOYSA-N 0 0 348.330 2.610 10 5 EFBERN C[C@]1(CCC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CCC(=O)N1 ZINC001641690693 1101156927 /nfs/dbraw/zinc/15/69/27/1101156927.db2.gz UOZIKZIOVGJLPX-KRWDZBQOSA-N 0 0 342.355 2.530 10 5 EFBERN CNc1c(C(=O)N[C@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC001641725119 1101160112 /nfs/dbraw/zinc/16/01/12/1101160112.db2.gz AWSPKZFJIZSWSY-AWEZNQCLSA-N 0 0 327.340 2.759 10 5 EFBERN O=C(N[C@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001641726588 1101160439 /nfs/dbraw/zinc/16/04/39/1101160439.db2.gz RUEZWGLLLOKEST-HNNXBMFYSA-N 0 0 343.295 2.626 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001641943804 1101177723 /nfs/dbraw/zinc/17/77/23/1101177723.db2.gz QUCAWYVWXWNLAL-UHFFFAOYSA-N 0 0 340.339 2.833 10 5 EFBERN O=[N+]([O-])c1c(NCCCC2CCCCC2)ncnc1N1CCOCC1 ZINC001642062725 1101187171 /nfs/dbraw/zinc/18/71/71/1101187171.db2.gz JTXFWTHLWFCKRD-UHFFFAOYSA-N 0 0 349.435 2.994 10 5 EFBERN Cc1ccccc1N(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001642082945 1101188580 /nfs/dbraw/zinc/18/85/80/1101188580.db2.gz KLCGDHUTBIPAED-UHFFFAOYSA-N 0 0 341.367 2.604 10 5 EFBERN O=c1[nH]ccc(NCc2ccc(-n3ccnc3)c(F)c2)c1[N+](=O)[O-] ZINC001642134354 1101192057 /nfs/dbraw/zinc/19/20/57/1101192057.db2.gz JLVJVVLKCXULMR-UHFFFAOYSA-N 0 0 329.291 2.632 10 5 EFBERN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)COc2ccccc2O1 ZINC001642201552 1101197982 /nfs/dbraw/zinc/19/79/82/1101197982.db2.gz RVUXNHJFHYZLLT-QGZVFWFLSA-N 0 0 346.314 2.694 10 5 EFBERN CN(CCN1CCOCC1)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642215036 1101199667 /nfs/dbraw/zinc/19/96/67/1101199667.db2.gz ZXMQDOYATZUSMS-UHFFFAOYSA-N 0 0 334.203 2.670 10 5 EFBERN NC(=O)C1(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCCC1 ZINC001642257849 1101202125 /nfs/dbraw/zinc/20/21/25/1101202125.db2.gz DHTHJTKNSNVMSE-UHFFFAOYSA-N 0 0 348.790 2.676 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(Nc2cnn(CC(F)F)c2)c2ccccc21 ZINC001642274089 1101203148 /nfs/dbraw/zinc/20/31/48/1101203148.db2.gz FLPUYJPYHYKGRK-UHFFFAOYSA-N 0 0 349.297 2.652 10 5 EFBERN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001642410999 1101212179 /nfs/dbraw/zinc/21/21/79/1101212179.db2.gz RQGKNDBKVKXLEJ-HUUCEWRRSA-N 0 0 340.383 2.980 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC001642508108 1101218455 /nfs/dbraw/zinc/21/84/55/1101218455.db2.gz UEBABLUHFWAIOJ-CZUORRHYSA-N 0 0 330.315 2.682 10 5 EFBERN CO[C@@H]1CCC[C@@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001642508969 1101218529 /nfs/dbraw/zinc/21/85/29/1101218529.db2.gz QSEUUAUJJZTNGB-MEBBXXQBSA-N 0 0 346.343 2.700 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2ccc(CF)cc2)cc1[N+](=O)[O-] ZINC001642524450 1101219379 /nfs/dbraw/zinc/21/93/79/1101219379.db2.gz YGALFNNBHHYBRD-UHFFFAOYSA-N 0 0 346.314 2.686 10 5 EFBERN CCOC(=O)c1cc(NCCc2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC001642525423 1101219831 /nfs/dbraw/zinc/21/98/31/1101219831.db2.gz PYLZVEHQAKNJTM-UHFFFAOYSA-N 0 0 330.344 2.525 10 5 EFBERN O=C(Nc1cnn2ccccc12)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001642558071 1101222481 /nfs/dbraw/zinc/22/24/81/1101222481.db2.gz OBCIFKSEJKEMJR-UHFFFAOYSA-N 0 0 348.322 2.885 10 5 EFBERN Cc1ccnc(-c2noc(CN3CCc4c3cccc4[N+](=O)[O-])n2)c1 ZINC001642580606 1101224237 /nfs/dbraw/zinc/22/42/37/1101224237.db2.gz SAAWXMLMAHZJFE-UHFFFAOYSA-N 0 0 337.339 2.911 10 5 EFBERN COC(=O)c1cccc(OCCN2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001642580658 1101224386 /nfs/dbraw/zinc/22/43/86/1101224386.db2.gz TXNXXMFHCPPQSA-UHFFFAOYSA-N 0 0 342.351 2.823 10 5 EFBERN Cc1cc(Oc2nc(Cl)nc3[nH]c(=O)[nH]c32)c(F)cc1[N+](=O)[O-] ZINC001642605364 1101226103 /nfs/dbraw/zinc/22/61/03/1101226103.db2.gz WXXUBBAPGKRBJP-UHFFFAOYSA-N 0 0 339.670 2.860 10 5 EFBERN O=C(Nc1cccc2c1CCNC2=O)c1cccc([N+](=O)[O-])c1Cl ZINC001642643279 1101230639 /nfs/dbraw/zinc/23/06/39/1101230639.db2.gz KPFWWLYWAKLQCK-UHFFFAOYSA-N 0 0 345.742 2.786 10 5 EFBERN Cc1cccc(CSc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c1 ZINC001642689583 1101232939 /nfs/dbraw/zinc/23/29/39/1101232939.db2.gz GHXHGIMWSLWOAQ-UHFFFAOYSA-N 0 0 338.410 2.843 10 5 EFBERN CC(C)Cc1c[nH]c(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC001642692448 1101233132 /nfs/dbraw/zinc/23/31/32/1101233132.db2.gz NDTBIWYGZNNAMR-SFHVURJKSA-N 0 0 345.399 2.759 10 5 EFBERN CCc1nc(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])co1 ZINC001642697805 1101234370 /nfs/dbraw/zinc/23/43/70/1101234370.db2.gz YIXLXTGKCLXZKN-UHFFFAOYSA-N 0 0 328.328 2.609 10 5 EFBERN CCN(CC)S(=O)(=O)c1ccc(NC2(CC)CC2)c([N+](=O)[O-])c1 ZINC001642709973 1101234655 /nfs/dbraw/zinc/23/46/55/1101234655.db2.gz QNYMIDMDJZLJQF-UHFFFAOYSA-N 0 0 341.433 2.980 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NC[C@H](O)c2c(Cl)cccc2Cl)n1 ZINC001642731047 1101236625 /nfs/dbraw/zinc/23/66/25/1101236625.db2.gz DZHFMBYJDHXGDH-JTQLQIEISA-N 0 0 331.159 2.781 10 5 EFBERN Cc1nnsc1CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001642737443 1101238069 /nfs/dbraw/zinc/23/80/69/1101238069.db2.gz VVIWYMCCIVMBFV-UHFFFAOYSA-N 0 0 335.776 2.990 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(NCc2nccc(C(F)F)n2)cc1F ZINC001642746179 1101238137 /nfs/dbraw/zinc/23/81/37/1101238137.db2.gz QAYFBGOZAZXGAQ-UHFFFAOYSA-N 0 0 328.250 2.566 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1cnc(Cl)cn1 ZINC001642766350 1101238784 /nfs/dbraw/zinc/23/87/84/1101238784.db2.gz SEOGGNFSLUOWJR-UHFFFAOYSA-N 0 0 333.710 2.760 10 5 EFBERN CC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001642819679 1101244836 /nfs/dbraw/zinc/24/48/36/1101244836.db2.gz AZLMHDASTGHLST-NWDGAFQWSA-N 0 0 341.433 2.740 10 5 EFBERN O=[N+]([O-])c1cnc(NCCCc2nc(-c3ccccn3)cs2)nc1 ZINC001642866133 1101250054 /nfs/dbraw/zinc/25/00/54/1101250054.db2.gz GPDDPNDEZPLKLZ-UHFFFAOYSA-N 0 0 342.384 2.948 10 5 EFBERN O=C(NCC1(c2cccc(Cl)c2)CCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001642892998 1101254178 /nfs/dbraw/zinc/25/41/78/1101254178.db2.gz NOQAYBXSRYHCGO-UHFFFAOYSA-N 0 0 334.763 2.823 10 5 EFBERN O=C(Nc1ccn(CCF)n1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001643023445 1101264880 /nfs/dbraw/zinc/26/48/80/1101264880.db2.gz LVEYSABZAQOJJZ-UHFFFAOYSA-N 0 0 330.678 2.806 10 5 EFBERN Cc1cncc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC001643057815 1101267556 /nfs/dbraw/zinc/26/75/56/1101267556.db2.gz NITGBGAUJLSBTP-CQSZACIVSA-N 0 0 326.356 2.858 10 5 EFBERN Cc1ccc(CNc2nc(Cl)nc3[nH]c(=O)[nH]c32)cc1[N+](=O)[O-] ZINC001643074667 1101268523 /nfs/dbraw/zinc/26/85/23/1101268523.db2.gz COVJSBUPVDCGKB-UHFFFAOYSA-N 0 0 334.723 2.541 10 5 EFBERN COC(=O)c1cnc(NCCc2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC001643177681 1101276792 /nfs/dbraw/zinc/27/67/92/1101276792.db2.gz RDSHQQFXPFACII-UHFFFAOYSA-N 0 0 349.318 2.579 10 5 EFBERN Cn1ccnc1CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001643182755 1101277615 /nfs/dbraw/zinc/27/76/15/1101277615.db2.gz JKWLBRAIRGQHFA-UHFFFAOYSA-N 0 0 331.763 2.606 10 5 EFBERN CN(Cc1ncc(Br)cn1)c1ccc(F)cc1[N+](=O)[O-] ZINC001643187253 1101278415 /nfs/dbraw/zinc/27/84/15/1101278415.db2.gz MOSNJFKFGPMJRW-UHFFFAOYSA-N 0 0 341.140 2.923 10 5 EFBERN 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CCc1ccc([C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 ZINC000065737081 1101318600 /nfs/dbraw/zinc/31/86/00/1101318600.db2.gz IZIKMOOAEFSOJU-GFCCVEGCSA-N 0 0 330.388 2.930 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)C[C@H](C)O3)n1 ZINC001651398166 1101322570 /nfs/dbraw/zinc/32/25/70/1101322570.db2.gz ATHBJJFMUUODPS-JTQLQIEISA-N 0 0 343.339 2.712 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2cncs2)cc1OC(F)F ZINC001651413878 1101325595 /nfs/dbraw/zinc/32/55/95/1101325595.db2.gz UEAARONYCSNAOG-SECBINFHSA-N 0 0 331.300 2.798 10 5 EFBERN CN(C)c1ccnc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC001651421241 1101325861 /nfs/dbraw/zinc/32/58/61/1101325861.db2.gz VANNXHZPHIAEDW-UHFFFAOYSA-N 0 0 327.388 2.942 10 5 EFBERN CCOc1cccnc1N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001651418724 1101326810 /nfs/dbraw/zinc/32/68/10/1101326810.db2.gz SJIJOGIZTJQCAT-UHFFFAOYSA-N 0 0 346.362 2.854 10 5 EFBERN COC(=O)c1cnc(NC[C@]2(C)CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001651430233 1101328961 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EFBERN CC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1N)[C@H](O)c1ccccc1 ZINC001651491503 1101338571 /nfs/dbraw/zinc/33/85/71/1101338571.db2.gz GOULYAHRPDCSKP-WMLDXEAASA-N 0 0 343.383 2.727 10 5 EFBERN CCCOC(=O)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001651497834 1101339186 /nfs/dbraw/zinc/33/91/86/1101339186.db2.gz HDCGCVKVBPHXFX-UHFFFAOYSA-N 0 0 337.763 2.974 10 5 EFBERN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)c1ncc([N+](=O)[O-])c(N)n1 ZINC001651521707 1101341380 /nfs/dbraw/zinc/34/13/80/1101341380.db2.gz DWZZGTURDCRYQF-VIFPVBQESA-N 0 0 348.432 2.575 10 5 EFBERN CCN(Cc1nc2c(s1)C[C@H](C)CC2)c1ncc([N+](=O)[O-])c(N)n1 ZINC001651521706 1101342954 /nfs/dbraw/zinc/34/29/54/1101342954.db2.gz DWZZGTURDCRYQF-SECBINFHSA-N 0 0 348.432 2.575 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1cncc(F)c1 ZINC001651531211 1101344740 /nfs/dbraw/zinc/34/47/40/1101344740.db2.gz VITRPSUZGZCGAE-UHFFFAOYSA-N 0 0 348.258 2.918 10 5 EFBERN CC[C@H](CO)Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001651685101 1101366437 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O=C(CSc1nccn2ccnc12)c1ccc([N+](=O)[O-])cc1F ZINC001651933754 1101407560 /nfs/dbraw/zinc/40/75/60/1101407560.db2.gz MCGAGKOAAJDXFM-UHFFFAOYSA-N 0 0 332.316 2.752 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(c1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC001651954320 1101409415 /nfs/dbraw/zinc/40/94/15/1101409415.db2.gz HZENBIQVTPJHKB-LLVKDONJSA-N 0 0 346.387 2.942 10 5 EFBERN NC(=O)c1cc(NCCCSc2ccccn2)ccc1[N+](=O)[O-] ZINC001651961999 1101410927 /nfs/dbraw/zinc/41/09/27/1101410927.db2.gz SGPOHSRCIIQWDJ-UHFFFAOYSA-N 0 0 332.385 2.683 10 5 EFBERN CCOC(=O)c1cc(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001651975452 1101412514 /nfs/dbraw/zinc/41/25/14/1101412514.db2.gz FPBAEEPMOQUXPU-CEFQPYBMSA-N 0 0 346.383 2.793 10 5 EFBERN COCc1cccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)c1 ZINC001651971218 1101412739 /nfs/dbraw/zinc/41/27/39/1101412739.db2.gz FHLLRGPELREIBE-UHFFFAOYSA-N 0 0 331.353 2.561 10 5 EFBERN CC[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC)C(=O)OC ZINC001651984051 1101412896 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COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1Cc2c[nH]nc2[C@H](C)C1 ZINC001652113200 1101437761 /nfs/dbraw/zinc/43/77/61/1101437761.db2.gz GMXVGAKWDLQTOO-SNVBAGLBSA-N 0 0 330.344 2.537 10 5 EFBERN COc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1O ZINC001625805588 1101440763 /nfs/dbraw/zinc/44/07/63/1101440763.db2.gz QBJYHUMZYXLABJ-GJZGRUSLSA-N 0 0 342.351 2.729 10 5 EFBERN Cc1nc(Cl)nn1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001652170878 1101447282 /nfs/dbraw/zinc/44/72/82/1101447282.db2.gz NBPSNDNLZJPLKS-UHFFFAOYSA-N 0 0 331.557 2.959 10 5 EFBERN C[C@H](Cc1cn(C)nn1)Nc1ccc([N+](=O)[O-])cc1Br ZINC001652188464 1101449336 /nfs/dbraw/zinc/44/93/36/1101449336.db2.gz FJEAVJNPDFMIST-MRVPVSSYSA-N 0 0 340.181 2.529 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NCC[C@@]2(O)C(=O)Nc3ccccc32)c1 ZINC001652186026 1101449374 /nfs/dbraw/zinc/44/93/74/1101449374.db2.gz COENKQHKSYKUNO-KRWDZBQOSA-N 0 0 327.340 2.545 10 5 EFBERN COc1ccc(CCNc2c3ccccc3ncc2[N+](=O)[O-])cc1O ZINC001652191873 1101450796 /nfs/dbraw/zinc/45/07/96/1101450796.db2.gz UXCOQVCGBCBHBT-UHFFFAOYSA-N 0 0 339.351 2.934 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3nc(C)cc(=O)[nH]3)C2)c1 ZINC001652225513 1101454743 /nfs/dbraw/zinc/45/47/43/1101454743.db2.gz MCMDOKNNSAFBEM-CYBMUJFWSA-N 0 0 343.387 2.788 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC001652229017 1101457176 /nfs/dbraw/zinc/45/71/76/1101457176.db2.gz HNTBFWHFZVBPFE-LLVKDONJSA-N 0 0 335.360 2.538 10 5 EFBERN CN(CCc1ccc2c(c1)OCO2)c1nc2sccn2c1[N+](=O)[O-] ZINC001652236591 1101457185 /nfs/dbraw/zinc/45/71/85/1101457185.db2.gz HBHVWGGOZDZTNG-UHFFFAOYSA-N 0 0 346.368 2.712 10 5 EFBERN NC(=O)c1cc(N2CCC[C@@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC001652246073 1101458838 /nfs/dbraw/zinc/45/88/38/1101458838.db2.gz YMISWBDUPMTKFC-NSHDSACASA-N 0 0 346.412 2.609 10 5 EFBERN C[C@@H]1C[C@]2(CC[C@H](CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)O2)CO1 ZINC001652242473 1101459019 /nfs/dbraw/zinc/45/90/19/1101459019.db2.gz BXENVHDEYPOURL-NSODJVPESA-N 0 0 332.360 2.610 10 5 EFBERN Cc1cccc(OCCn2nnc(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC001652240551 1101459026 /nfs/dbraw/zinc/45/90/26/1101459026.db2.gz PUXLCTYHNQOXKS-UHFFFAOYSA-N 0 0 325.328 2.636 10 5 EFBERN C[C@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC001652264446 1101462001 /nfs/dbraw/zinc/46/20/01/1101462001.db2.gz QVQXFDIROQVISU-CMPLNLGQSA-N 0 0 335.385 2.521 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2noc3c2COCC3)c2ccccc21 ZINC001652261217 1101463115 /nfs/dbraw/zinc/46/31/15/1101463115.db2.gz IHXORMRZBPCPSI-UHFFFAOYSA-N 0 0 326.312 2.816 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N(C)Cc2cccc(=O)[nH]2)cc1C ZINC001652264129 1101463179 /nfs/dbraw/zinc/46/31/79/1101463179.db2.gz LJDRFWNXKFPCKF-UHFFFAOYSA-N 0 0 345.355 2.817 10 5 EFBERN CC(C)(C(=O)N1CCC[C@H](c2ncon2)C1)c1ccccc1[N+](=O)[O-] ZINC001652268434 1101464523 /nfs/dbraw/zinc/46/45/23/1101464523.db2.gz JOXSNCOHOWRBTK-LBPRGKRZSA-N 0 0 344.371 2.662 10 5 EFBERN Cc1cccnc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001652320274 1101475096 /nfs/dbraw/zinc/47/50/96/1101475096.db2.gz HPRONJREYGPXQV-LLVKDONJSA-N 0 0 335.385 2.875 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ncon1)C1CC1 ZINC001652322595 1101476895 /nfs/dbraw/zinc/47/68/95/1101476895.db2.gz DDJITAVJISXMQE-ZANVPECISA-N 0 0 348.384 2.726 10 5 EFBERN Cc1cccnc1[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001652320442 1101476968 /nfs/dbraw/zinc/47/69/68/1101476968.db2.gz NEKSMGZPPCKFFI-SECBINFHSA-N 0 0 341.414 2.936 10 5 EFBERN Cc1cc(N[C@H]2CC[C@H](c3nccc(=O)[nH]3)CC2)ncc1[N+](=O)[O-] ZINC001652320324 1101477717 /nfs/dbraw/zinc/47/77/17/1101477717.db2.gz JRNLJLCMYGZDTG-HAQNSBGRSA-N 0 0 329.360 2.932 10 5 EFBERN CCOC(OCC)[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001652342037 1101481670 /nfs/dbraw/zinc/48/16/70/1101481670.db2.gz FZDODAZNHQEMMT-MRVPVSSYSA-N 0 0 326.378 2.799 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc(-c3ccon3)cc2)c1[N+](=O)[O-] ZINC001652447918 1101491734 /nfs/dbraw/zinc/49/17/34/1101491734.db2.gz MWYGKTUISDQVNU-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cc(CO)ccc1F ZINC001652482823 1101497313 /nfs/dbraw/zinc/49/73/13/1101497313.db2.gz NWZSLUWYRVCENC-UHFFFAOYSA-N 0 0 339.344 2.509 10 5 EFBERN C[C@@H](C(=O)NC1(c2ncon2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001652482309 1101498344 /nfs/dbraw/zinc/49/83/44/1101498344.db2.gz ZUICKPTWSCSSTF-LLVKDONJSA-N 0 0 330.344 2.667 10 5 EFBERN Cc1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1[N+](=O)[O-] ZINC001652553871 1101512496 /nfs/dbraw/zinc/51/24/96/1101512496.db2.gz GQGBYTRPBRCGRX-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN O=Cc1ccc([N+](=O)[O-])c(OCCOc2ccc3c(c2)OCO3)c1 ZINC001652626705 1101523737 /nfs/dbraw/zinc/52/37/37/1101523737.db2.gz KGQMWWMGJITJNS-UHFFFAOYSA-N 0 0 331.280 2.594 10 5 EFBERN Cc1nn(Cc2ccc(-n3cccn3)cc2)c2ncc([N+](=O)[O-])cc12 ZINC001652686001 1101531497 /nfs/dbraw/zinc/53/14/97/1101531497.db2.gz KQEOONAQKCAMKQ-UHFFFAOYSA-N 0 0 334.339 2.882 10 5 EFBERN Cc1ccc(F)cc1NC(=O)CCn1cc([N+](=O)[O-])cc(C)c1=O ZINC001652729980 1101536372 /nfs/dbraw/zinc/53/63/72/1101536372.db2.gz CANDRGGTHHDPNS-UHFFFAOYSA-N 0 0 333.319 2.541 10 5 EFBERN Cc1nn(Cc2cccc(S(C)(=O)=O)c2)c2ccc([N+](=O)[O-])cc12 ZINC001652727480 1101537969 /nfs/dbraw/zinc/53/79/69/1101537969.db2.gz XRVGCIMHUMZNKY-UHFFFAOYSA-N 0 0 345.380 2.705 10 5 EFBERN Cn1ncc(Br)c1COc1cc(F)cc([N+](=O)[O-])c1 ZINC001652737816 1101538409 /nfs/dbraw/zinc/53/84/09/1101538409.db2.gz DUQXGJGLAQCWHL-UHFFFAOYSA-N 0 0 330.113 2.809 10 5 EFBERN CS(=O)(=O)c1cccc(COc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001652738516 1101540598 /nfs/dbraw/zinc/54/05/98/1101540598.db2.gz WHDPHQADNURIGF-UHFFFAOYSA-N 0 0 325.317 2.716 10 5 EFBERN Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2F)c1 ZINC001652846159 1101556258 /nfs/dbraw/zinc/55/62/58/1101556258.db2.gz LYAIPVHOXNQLMG-UHFFFAOYSA-N 0 0 336.294 2.877 10 5 EFBERN Nc1nc(SC[C@@H]2CCC[C@H](C(F)(F)F)O2)ncc1[N+](=O)[O-] ZINC001652848516 1101556390 /nfs/dbraw/zinc/55/63/90/1101556390.db2.gz AZRJMJKZWULHRG-POYBYMJQSA-N 0 0 338.311 2.559 10 5 EFBERN CN(CC(=O)Nc1ccccn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001652862284 1101558491 /nfs/dbraw/zinc/55/84/91/1101558491.db2.gz VGYSGEMLSWJRMA-UHFFFAOYSA-N 0 0 334.763 2.714 10 5 EFBERN O=c1c(Br)cc(Cl)cn1Cc1cccnc1[N+](=O)[O-] ZINC001652909677 1101564480 /nfs/dbraw/zinc/56/44/80/1101564480.db2.gz VUYIAGPUEVWXAH-UHFFFAOYSA-N 0 0 344.552 2.616 10 5 EFBERN NC(=O)c1cccc(COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)c1 ZINC001652937596 1101568386 /nfs/dbraw/zinc/56/83/86/1101568386.db2.gz QVSQVMBWROHJQC-UHFFFAOYSA-N 0 0 344.220 2.829 10 5 EFBERN Cc1ccc(Cn2cc([N+](=O)[O-])nc2Br)cc1[N+](=O)[O-] ZINC001652968222 1101572108 /nfs/dbraw/zinc/57/21/08/1101572108.db2.gz KEUGZRILCUAXAV-UHFFFAOYSA-N 0 0 341.121 2.819 10 5 EFBERN COc1cc([N+](=O)[O-])cn(C[C@H]2[C@H](c3ccccc3)C2(F)F)c1=O ZINC001652998905 1101576702 /nfs/dbraw/zinc/57/67/02/1101576702.db2.gz XIMCQTGJHLQMII-JSGCOSHPSA-N 0 0 336.294 2.814 10 5 EFBERN CC(C)N(C)c1ccc(NC(=O)CCn2ccnc2[N+](=O)[O-])cc1F ZINC001653021441 1101578552 /nfs/dbraw/zinc/57/85/52/1101578552.db2.gz FWGLIVKHUAVMDS-UHFFFAOYSA-N 0 0 349.366 2.804 10 5 EFBERN O=C1O[C@@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)CC12CC2 ZINC001653105366 1101587618 /nfs/dbraw/zinc/58/76/18/1101587618.db2.gz VXGBNHMOWOEUFF-LLVKDONJSA-N 0 0 348.746 2.602 10 5 EFBERN Cc1cccc(NC(=O)COc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001653121942 1101589421 /nfs/dbraw/zinc/58/94/21/1101589421.db2.gz WAGYIXWZQOBBQJ-UHFFFAOYSA-N 0 0 344.323 2.692 10 5 EFBERN COc1ccc([C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C2CCC2)cc1 ZINC001653137594 1101590824 /nfs/dbraw/zinc/59/08/24/1101590824.db2.gz UNDCBORRPIZLNV-AWEZNQCLSA-N 0 0 344.371 2.906 10 5 EFBERN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C2CCC2)cc1 ZINC001653137728 1101590837 /nfs/dbraw/zinc/59/08/37/1101590837.db2.gz YMYWJMJKONACMW-HNNXBMFYSA-N 0 0 330.344 2.598 10 5 EFBERN COCC(C)(C)NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001653317307 1101609936 /nfs/dbraw/zinc/60/99/36/1101609936.db2.gz UUYPPTRCUQJNIN-UHFFFAOYSA-N 0 0 340.767 2.813 10 5 EFBERN COc1c(F)nccc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001653376363 1101615225 /nfs/dbraw/zinc/61/52/25/1101615225.db2.gz HKGJUSNUOHSUTE-UHFFFAOYSA-N 0 0 340.698 2.625 10 5 EFBERN COC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCCCCC1 ZINC001653410116 1101618679 /nfs/dbraw/zinc/61/86/79/1101618679.db2.gz ICSWWECNPDPPNR-UHFFFAOYSA-N 0 0 339.367 2.785 10 5 EFBERN O=C(Nc1cnn(-c2ccccc2)n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001266343545 1101619198 /nfs/dbraw/zinc/61/91/98/1101619198.db2.gz ORUAUKXNDRDKIB-HOTGVXAUSA-N 0 0 349.350 2.918 10 5 EFBERN CC(C)c1ccc(C(=O)N(C)C[C@@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC001653447521 1101623334 /nfs/dbraw/zinc/62/33/34/1101623334.db2.gz LBTVQSMJGALFQJ-QGZVFWFLSA-N 0 0 343.383 2.919 10 5 EFBERN CC(C)c1nc([C@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)no1 ZINC001653507482 1101627145 /nfs/dbraw/zinc/62/71/45/1101627145.db2.gz LHMCQHHAALCFRL-CYBMUJFWSA-N 0 0 334.380 2.525 10 5 EFBERN CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001653609389 1101634769 /nfs/dbraw/zinc/63/47/69/1101634769.db2.gz PNIPUTSFHVFDKP-ZBFHGGJFSA-N 0 0 347.415 2.635 10 5 EFBERN C[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC001653615049 1101636575 /nfs/dbraw/zinc/63/65/75/1101636575.db2.gz MYBGBZAKIGSWOJ-OAQYLSRUSA-N 0 0 327.749 2.873 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1c(C)cccc1[N+](=O)[O-])CC2 ZINC001653648193 1101640140 /nfs/dbraw/zinc/64/01/40/1101640140.db2.gz WWWXXSNYBDMUDY-UHFFFAOYSA-N 0 0 340.335 2.893 10 5 EFBERN Cc1cc(F)ccc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001654212046 1101693712 /nfs/dbraw/zinc/69/37/12/1101693712.db2.gz BTQKPGLHRJAEAC-UHFFFAOYSA-N 0 0 331.347 2.909 10 5 EFBERN Cc1ccc(N(C)CCNC(=O)C2(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC001654216649 1101694580 /nfs/dbraw/zinc/69/45/80/1101694580.db2.gz JFABBRBRCNBVSM-UHFFFAOYSA-N 0 0 327.331 2.501 10 5 EFBERN C[C@]1(CO)CN(Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2O1 ZINC001654437643 1101717419 /nfs/dbraw/zinc/71/74/19/1101717419.db2.gz KGXFVFCAQKJOMC-QGZVFWFLSA-N 0 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O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc2c1OC(F)(F)O2 ZINC001125315602 1101801299 /nfs/dbraw/zinc/80/12/99/1101801299.db2.gz BAZAWIZNGRITTN-UHFFFAOYSA-N 0 0 336.250 2.846 10 5 EFBERN CC(C)CCc1noc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC001655317703 1101810247 /nfs/dbraw/zinc/81/02/47/1101810247.db2.gz DSNORHJMFGBYKD-KRWDZBQOSA-N 0 0 348.403 2.564 10 5 EFBERN Cc1noc(CN[C@H](CCO)c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC001655323516 1101810267 /nfs/dbraw/zinc/81/02/67/1101810267.db2.gz ZXXZFSPHBAQUPF-GFCCVEGCSA-N 0 0 343.742 2.897 10 5 EFBERN COCCOc1cc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001625849614 1101819132 /nfs/dbraw/zinc/81/91/32/1101819132.db2.gz RDNZGNUMKRSHJQ-GFCCVEGCSA-N 0 0 345.355 2.506 10 5 EFBERN O=C1[C@@H](N2Cc3ccccc3CO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001655389641 1101819636 /nfs/dbraw/zinc/81/96/36/1101819636.db2.gz OBQYQAWRLIZYOL-KRWDZBQOSA-N 0 0 339.351 2.648 10 5 EFBERN COc1cc(C(=O)Nc2nccc3cc[nH]c32)c([N+](=O)[O-])cc1F ZINC001167126975 1101821549 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ZINC000412667561 243374662 /nfs/dbraw/zinc/37/46/62/243374662.db2.gz HMHOOBITCIARCZ-HNNXBMFYSA-N 0 0 340.383 2.588 10 5 EFBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412679132 243380364 /nfs/dbraw/zinc/38/03/64/243380364.db2.gz RIDVXCQKUORYCX-ZDUSSCGKSA-N 0 0 326.356 2.728 10 5 EFBERN C[C@H](NC(=O)NCc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000413431856 243670537 /nfs/dbraw/zinc/67/05/37/243670537.db2.gz IJFYYWALTYRQJX-VIFPVBQESA-N 0 0 347.400 2.884 10 5 EFBERN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC000413810659 243860276 /nfs/dbraw/zinc/86/02/76/243860276.db2.gz KJIOCBWYOQXXCM-SECBINFHSA-N 0 0 335.389 2.742 10 5 EFBERN CCOc1ccc(C(=O)N(C)Cc2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000414039788 243976595 /nfs/dbraw/zinc/97/65/95/243976595.db2.gz KLDKCPFWRHEDJB-UHFFFAOYSA-N 0 0 346.343 2.526 10 5 EFBERN Cn1ccnc1[C@H](N[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414337155 244093448 /nfs/dbraw/zinc/09/34/48/244093448.db2.gz KNWHNNKJXPKEPC-UKPHBRMFSA-N 0 0 344.415 2.558 10 5 EFBERN C[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)c1cnn(C)c1 ZINC000414875435 244382957 /nfs/dbraw/zinc/38/29/57/244382957.db2.gz UIBAQCYRQTUPLD-NEPJUHHUSA-N 0 0 328.372 2.800 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000414877799 244383707 /nfs/dbraw/zinc/38/37/07/244383707.db2.gz YKFPIMOGENJCCF-QWRGUYRKSA-N 0 0 334.372 2.850 10 5 EFBERN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000159538682 284157107 /nfs/dbraw/zinc/15/71/07/284157107.db2.gz PFDBEAJTKIZMRL-IUIKQTSFSA-N 0 0 330.290 2.941 10 5 EFBERN O=C(N[C@H]1CC12CCCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000428957473 284163509 /nfs/dbraw/zinc/16/35/09/284163509.db2.gz SOZAASJXPUQXJG-INIZCTEOSA-N 0 0 344.415 2.759 10 5 EFBERN CSC[C@H]1CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416431336 244686667 /nfs/dbraw/zinc/68/66/67/244686667.db2.gz HMONXVKJAVXMLD-GFCCVEGCSA-N 0 0 344.458 2.728 10 5 EFBERN O=C(N[C@H]1CCCc2sc(Cl)cc21)c1cc([N+](=O)[O-])n[nH]1 ZINC000344614094 284189868 /nfs/dbraw/zinc/18/98/68/284189868.db2.gz ZLCXRUZYXSBPKZ-ZETCQYMHSA-N 0 0 326.765 2.840 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2cc(OC)c(OC)cc2C)c1[N+](=O)[O-] ZINC000110040787 220010017 /nfs/dbraw/zinc/01/00/17/220010017.db2.gz VTEIHWSQEBURNP-UHFFFAOYSA-N 0 0 348.359 2.848 10 5 EFBERN O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc([N+](=O)[O-])cn1 ZINC000370511668 284211304 /nfs/dbraw/zinc/21/13/04/284211304.db2.gz AFSITYLGJGAEDB-LBPRGKRZSA-N 0 0 333.731 2.897 10 5 EFBERN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408277068 284281889 /nfs/dbraw/zinc/28/18/89/284281889.db2.gz NEIKBRZCWUCOET-MEDUHNTESA-N 0 0 337.351 2.893 10 5 EFBERN CCCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000049935191 214036816 /nfs/dbraw/zinc/03/68/16/214036816.db2.gz PQEDXPXUUWVJGS-CYBMUJFWSA-N 0 0 341.795 2.529 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110454717 220037766 /nfs/dbraw/zinc/03/77/66/220037766.db2.gz LGMMBWFSAOSJQJ-YOEHRIQHSA-N 0 0 326.352 2.894 10 5 EFBERN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCO1 ZINC000192819607 296185691 /nfs/dbraw/zinc/18/56/91/296185691.db2.gz DNUKLQQKSZFWDS-UHFFFAOYSA-N 0 0 328.324 2.951 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000110601261 220047977 /nfs/dbraw/zinc/04/79/77/220047977.db2.gz JELGHYFIXLNLCI-NSHDSACASA-N 0 0 346.774 2.736 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCOCC2(CC2)C1 ZINC000346252930 296186725 /nfs/dbraw/zinc/18/67/25/296186725.db2.gz CXZMZEBRGRTRBJ-UHFFFAOYSA-N 0 0 344.289 2.866 10 5 EFBERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000110753241 220064277 /nfs/dbraw/zinc/06/42/77/220064277.db2.gz HGIWGQFDYCNBCT-CYBMUJFWSA-N 0 0 343.387 2.534 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421437610 245975595 /nfs/dbraw/zinc/97/55/95/245975595.db2.gz YPPBKNQDACHDSM-UHFFFAOYSA-N 0 0 330.388 2.534 10 5 EFBERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)[C@@H]2C1 ZINC000421504716 246000978 /nfs/dbraw/zinc/00/09/78/246000978.db2.gz ZWQJPRGLHVGAEQ-XYPHTWIQSA-N 0 0 348.399 2.620 10 5 EFBERN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@]2(CCOC2)O1 ZINC000421530529 246007130 /nfs/dbraw/zinc/00/71/30/246007130.db2.gz DUBRLBUSXQUEBG-KBXCAEBGSA-N 0 0 348.399 2.622 10 5 EFBERN CC[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000421660587 246055241 /nfs/dbraw/zinc/05/52/41/246055241.db2.gz CQUDWCMZOAFRPQ-UONOGXRCSA-N 0 0 333.388 2.857 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)C2(C)C)n1 ZINC000421723268 246082739 /nfs/dbraw/zinc/08/27/39/246082739.db2.gz UAHIBMUJDGTDLP-CYBMUJFWSA-N 0 0 328.372 2.737 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000421964197 246187213 /nfs/dbraw/zinc/18/72/13/246187213.db2.gz IOAOEWGPSHPWJI-ZIAGYGMSSA-N 0 0 336.388 2.746 10 5 EFBERN CC[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421966434 246187931 /nfs/dbraw/zinc/18/79/31/246187931.db2.gz LKSJNHMAHNOQNX-ZBFHGGJFSA-N 0 0 335.404 2.861 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H](O)CC12CCC2 ZINC000422015018 246217901 /nfs/dbraw/zinc/21/79/01/246217901.db2.gz FCURHUWYDDJXLL-ZDUSSCGKSA-N 0 0 336.413 2.593 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](O)CC12CCC2 ZINC000422012311 246218017 /nfs/dbraw/zinc/21/80/17/246218017.db2.gz BTJLEGWOJKITFC-HRCADAONSA-N 0 0 330.384 2.604 10 5 EFBERN C[C@@H](C(=O)N1CC[C@H](O)CC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000422023701 246225032 /nfs/dbraw/zinc/22/50/32/246225032.db2.gz PNPQLKAYXOBMCH-YPMHNXCESA-N 0 0 336.363 2.743 10 5 EFBERN C[C@@H]1CC[C@@H](O)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422049843 246238630 /nfs/dbraw/zinc/23/86/30/246238630.db2.gz YZOPGBKMCLILKT-MWLCHTKSSA-N 0 0 344.820 2.712 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000422060048 246245057 /nfs/dbraw/zinc/24/50/57/246245057.db2.gz SOMUFDHACAENEG-CYBMUJFWSA-N 0 0 336.388 2.618 10 5 EFBERN COCCCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264564633 246639414 /nfs/dbraw/zinc/63/94/14/246639414.db2.gz ZFYYCDIKWGSGBD-UHFFFAOYSA-N 0 0 343.383 2.977 10 5 EFBERN Cc1ccc([C@@H](C)OC(=O)CS(=O)(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000084808178 217648152 /nfs/dbraw/zinc/64/81/52/217648152.db2.gz MCIACHNCSLKIMT-GFCCVEGCSA-N 0 0 343.401 2.578 10 5 EFBERN CN(CC(=O)N[C@@H]1C[C@]1(F)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000425014563 246936583 /nfs/dbraw/zinc/93/65/83/246936583.db2.gz SSNVGURAZDOVSR-AEFFLSMTSA-N 0 0 343.358 2.785 10 5 EFBERN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C(=O)OC(C)(C)C ZINC000425045179 246948612 /nfs/dbraw/zinc/94/86/12/246948612.db2.gz SIHPPVFFEIFMEX-GXFFZTMASA-N 0 0 338.360 2.770 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC(CC(F)F)C1 ZINC000425233522 247010213 /nfs/dbraw/zinc/01/02/13/247010213.db2.gz YQJBNFGWIKVDHW-UHFFFAOYSA-N 0 0 340.735 2.524 10 5 EFBERN O=c1c(Cl)c(N[C@H]2CC23CC3)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000425269900 247022486 /nfs/dbraw/zinc/02/24/86/247022486.db2.gz DHHDLZQQIOAEDM-LBPRGKRZSA-N 0 0 332.747 2.759 10 5 EFBERN COC(=O)c1cnc(Oc2ccc(OCC(C)C)nc2)c([N+](=O)[O-])c1 ZINC000425275453 247024948 /nfs/dbraw/zinc/02/49/48/247024948.db2.gz BILUWXKKYPUFCK-UHFFFAOYSA-N 0 0 347.327 2.999 10 5 EFBERN COC(=O)c1cnc(N[C@@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425277162 247027332 /nfs/dbraw/zinc/02/73/32/247027332.db2.gz XBXIXZYCWNZFBW-CZUORRHYSA-N 0 0 331.303 2.826 10 5 EFBERN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](O)C(F)(F)F)cs2)c1 ZINC000264943706 247071200 /nfs/dbraw/zinc/07/12/00/247071200.db2.gz HOCHLAPQUHOSEO-NSHDSACASA-N 0 0 347.318 2.731 10 5 EFBERN CN(Cc1cc[nH]n1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425405796 247073883 /nfs/dbraw/zinc/07/38/83/247073883.db2.gz NZFRAPRUCVPUDU-UHFFFAOYSA-N 0 0 325.166 2.712 10 5 EFBERN CCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000425451537 247090060 /nfs/dbraw/zinc/09/00/60/247090060.db2.gz XBEZVPIRZCEJHO-LBPRGKRZSA-N 0 0 329.194 2.968 10 5 EFBERN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1ccncc1[N+](=O)[O-] ZINC000336910630 296234771 /nfs/dbraw/zinc/23/47/71/296234771.db2.gz XIBCICUCCDCJRL-ZDUSSCGKSA-N 0 0 328.372 2.646 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC000048068254 296234292 /nfs/dbraw/zinc/23/42/92/296234292.db2.gz HEEDCEYXJQOYOH-LBPRGKRZSA-N 0 0 328.372 2.889 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC(F)(F)C1 ZINC000426005459 247226366 /nfs/dbraw/zinc/22/63/66/247226366.db2.gz CJSSANCYSUPBQL-LLVKDONJSA-N 0 0 342.346 2.884 10 5 EFBERN COc1ccccc1[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426785301 247298307 /nfs/dbraw/zinc/29/83/07/247298307.db2.gz WRATYGMEQMABKZ-MRXNPFEDSA-N 0 0 346.339 2.528 10 5 EFBERN COC(=O)c1ncccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000427314681 247336019 /nfs/dbraw/zinc/33/60/19/247336019.db2.gz KSNZTUVNIANXML-UHFFFAOYSA-N 0 0 349.730 2.611 10 5 EFBERN COC(=O)c1ncccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000427319429 247337736 /nfs/dbraw/zinc/33/77/36/247337736.db2.gz IFSZGYYFUDKXPO-UHFFFAOYSA-N 0 0 347.352 2.507 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2nc3ccccc3s2)n1 ZINC000427125778 247319959 /nfs/dbraw/zinc/31/99/59/247319959.db2.gz HHLFRRXBPRWTJU-UHFFFAOYSA-N 0 0 331.357 2.698 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)n1 ZINC000427382485 247344667 /nfs/dbraw/zinc/34/46/67/247344667.db2.gz NDWINJSNLFZMKI-HIFRSBDPSA-N 0 0 342.399 2.905 10 5 EFBERN CC(C)[C@@](C)(CO)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427392696 247345815 /nfs/dbraw/zinc/34/58/15/247345815.db2.gz VBOQGKUQUZVZKK-OAHLLOKOSA-N 0 0 344.795 2.540 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1sccc1C(C)=O ZINC000427413158 247348549 /nfs/dbraw/zinc/34/85/49/247348549.db2.gz HKVRCJBPCOJDKT-UHFFFAOYSA-N 0 0 349.368 2.918 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C/C(C)=C/c2ccccc2)n1 ZINC000427530760 247361858 /nfs/dbraw/zinc/36/18/58/247361858.db2.gz LDEMWGIMELSYNC-JLHYYAGUSA-N 0 0 328.372 2.987 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(F)cc2Cl)n1 ZINC000427593937 247369272 /nfs/dbraw/zinc/36/92/72/247369272.db2.gz MTRYUVURFKAHDK-UHFFFAOYSA-N 0 0 340.742 2.576 10 5 EFBERN COc1cccc(N2CCC[C@@H](Nc3c([N+](=O)[O-])c(C)nn3C)C2)c1 ZINC000265319960 247402266 /nfs/dbraw/zinc/40/22/66/247402266.db2.gz KPONANWBARTDSK-CYBMUJFWSA-N 0 0 345.403 2.726 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccccc3C)C2)n1 ZINC000427686188 247383448 /nfs/dbraw/zinc/38/34/48/247383448.db2.gz DDXDDUXFZZHJNG-UHFFFAOYSA-N 0 0 326.356 2.659 10 5 EFBERN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000427787636 247394839 /nfs/dbraw/zinc/39/48/39/247394839.db2.gz WJTDDLBHIDYSEO-HNNXBMFYSA-N 0 0 349.387 2.540 10 5 EFBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000428075859 247432137 /nfs/dbraw/zinc/43/21/37/247432137.db2.gz AUPYQUNVSMYENP-HALDLXJZSA-N 0 0 329.400 2.726 10 5 EFBERN CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000089484434 217804371 /nfs/dbraw/zinc/80/43/71/217804371.db2.gz GIJVIMKKGAGWAG-INIZCTEOSA-N 0 0 345.380 2.706 10 5 EFBERN CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2C)CCS1(=O)=O ZINC000428420417 247479273 /nfs/dbraw/zinc/47/92/73/247479273.db2.gz GZLOEDLIYPFKSK-UHFFFAOYSA-N 0 0 340.445 2.692 10 5 EFBERN CN(C)c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000265678849 247699490 /nfs/dbraw/zinc/69/94/90/247699490.db2.gz BGFCVRUGSFNUSZ-UHFFFAOYSA-N 0 0 328.372 2.972 10 5 EFBERN COc1ccc(CSCC(=O)N[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000431168721 247877487 /nfs/dbraw/zinc/87/74/87/247877487.db2.gz JGOLVZDJYWDUBH-QWHCGFSZSA-N 0 0 336.413 2.751 10 5 EFBERN Cc1nc([C@@](C)(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)no1 ZINC000433307557 248041278 /nfs/dbraw/zinc/04/12/78/248041278.db2.gz VERXUMVSZZFYNU-INIZCTEOSA-N 0 0 342.359 2.578 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c2ccncc21 ZINC000265993385 248006518 /nfs/dbraw/zinc/00/65/18/248006518.db2.gz JDHFTGRECPKWBZ-CYBMUJFWSA-N 0 0 327.262 2.647 10 5 EFBERN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432993269 248007164 /nfs/dbraw/zinc/00/71/64/248007164.db2.gz LEWXNSNTJMRWAA-VIFPVBQESA-N 0 0 337.177 2.998 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000266003054 248017572 /nfs/dbraw/zinc/01/75/72/248017572.db2.gz MFZCOCCMUHCBPK-UHFFFAOYSA-N 0 0 325.368 2.866 10 5 EFBERN C[C@H]1COCC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000433470779 248064600 /nfs/dbraw/zinc/06/46/00/248064600.db2.gz ZVJXEZNEAFKBOE-WFASDCNBSA-N 0 0 333.388 2.694 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000434285551 248139502 /nfs/dbraw/zinc/13/95/02/248139502.db2.gz FPHPGPCUOYUSJL-UHFFFAOYSA-N 0 0 346.412 2.816 10 5 EFBERN Cc1c(CNC(=O)NCC2(CO)CC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000434423703 248152413 /nfs/dbraw/zinc/15/24/13/248152413.db2.gz WTPVVWOPUBTEBO-UHFFFAOYSA-N 0 0 347.415 2.645 10 5 EFBERN COC(=O)c1cnc(N2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000365093715 284599956 /nfs/dbraw/zinc/59/99/56/284599956.db2.gz XSJURMQQHWFDOP-HNNXBMFYSA-N 0 0 349.387 2.562 10 5 EFBERN CC(C)COC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266617066 248384857 /nfs/dbraw/zinc/38/48/57/248384857.db2.gz UWIQVQQGQWXBNA-UHFFFAOYSA-N 0 0 349.431 2.984 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)C3CCOCC3)co2)cc1 ZINC000089587550 217815114 /nfs/dbraw/zinc/81/51/14/217815114.db2.gz GJACQZPUSMVTMM-QHCPKHFHSA-N 0 0 336.369 2.678 10 5 EFBERN NS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000013000314 211506147 /nfs/dbraw/zinc/50/61/47/211506147.db2.gz QBBUNRLSFYLDGT-UHFFFAOYSA-N 0 0 341.776 2.508 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCF ZINC000435586275 249381556 /nfs/dbraw/zinc/38/15/56/249381556.db2.gz AFXXBKLWJTXVLU-UHFFFAOYSA-N 0 0 339.348 2.777 10 5 EFBERN COC(=O)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccccc1 ZINC000436382542 249509617 /nfs/dbraw/zinc/50/96/17/249509617.db2.gz CENWWFSFVGGHFD-CQSZACIVSA-N 0 0 341.367 2.932 10 5 EFBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000437376452 249672045 /nfs/dbraw/zinc/67/20/45/249672045.db2.gz WKSYDDOPUGGLBJ-HNNXBMFYSA-N 0 0 336.294 2.991 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000089826151 217852927 /nfs/dbraw/zinc/85/29/27/217852927.db2.gz UZMFWAIHKYSXIW-KBPBESRZSA-N 0 0 330.340 2.916 10 5 EFBERN Cc1ccc([C@@H]2CCCN2C(=O)CCn2cnc([N+](=O)[O-])c2)cc1 ZINC000012544600 211404990 /nfs/dbraw/zinc/40/49/90/211404990.db2.gz FDIAYSVHRDRWCL-HNNXBMFYSA-N 0 0 328.372 2.854 10 5 EFBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C)s1 ZINC000012522407 211397791 /nfs/dbraw/zinc/39/77/91/211397791.db2.gz HTWWAODSJXOGCC-UHFFFAOYSA-N 0 0 336.373 2.670 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000438141976 249746783 /nfs/dbraw/zinc/74/67/83/249746783.db2.gz LNXHPIMZYQLGGF-HSOHIQCKSA-N 0 0 341.367 2.981 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439914279 249874225 /nfs/dbraw/zinc/87/42/25/249874225.db2.gz VJQHOLHMZKPELP-KGLIPLIRSA-N 0 0 343.383 2.965 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000091697963 218050108 /nfs/dbraw/zinc/05/01/08/218050108.db2.gz LJSLUFGVRZQGHJ-GFCCVEGCSA-N 0 0 336.388 2.982 10 5 EFBERN Cc1ccc2c(CCNC(=O)c3cc([N+](=O)[O-])c[nH]3)cn(C)c2c1 ZINC000440840908 249971492 /nfs/dbraw/zinc/97/14/92/249971492.db2.gz CCOVEBBJKFBHIX-UHFFFAOYSA-N 0 0 326.356 2.696 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441209085 250009593 /nfs/dbraw/zinc/00/95/93/250009593.db2.gz RVLYZGVMYPDBAX-QLFBSQMISA-N 0 0 347.415 2.670 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1nnc(C(C)C)s1 ZINC000442537474 250087360 /nfs/dbraw/zinc/08/73/60/250087360.db2.gz GQTJELDXALWTIG-UHFFFAOYSA-N 0 0 336.373 2.508 10 5 EFBERN CO[C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000442705129 250104396 /nfs/dbraw/zinc/10/43/96/250104396.db2.gz UMUVOZKSPDCQLU-SECBINFHSA-N 0 0 346.333 2.724 10 5 EFBERN COc1ccc(CNc2ccc3[nH]c(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000442961323 250144218 /nfs/dbraw/zinc/14/42/18/250144218.db2.gz CNHXWEKYWCLVMC-UHFFFAOYSA-N 0 0 328.328 2.808 10 5 EFBERN Cn1c(=O)[nH]c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc21 ZINC000443179094 250169400 /nfs/dbraw/zinc/16/94/00/250169400.db2.gz GMSDSZFAVSVQOA-UHFFFAOYSA-N 0 0 330.275 2.579 10 5 EFBERN C[C@H]1COC[C@H](C)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093606857 218235176 /nfs/dbraw/zinc/23/51/76/218235176.db2.gz HKRSDGSSBFSCFI-UWVGGRQHSA-N 0 0 329.194 2.967 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NCCCc1nnc2ccccn21 ZINC000443436540 250194574 /nfs/dbraw/zinc/19/45/74/250194574.db2.gz KFVMZJAQEGXSNC-UHFFFAOYSA-N 0 0 341.371 2.829 10 5 EFBERN C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443439592 250194940 /nfs/dbraw/zinc/19/49/40/250194940.db2.gz HDPRXKPFVPXKJR-NEPJUHHUSA-N 0 0 335.404 2.862 10 5 EFBERN O=C(Nc1ccnc2ccncc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000443641558 250215190 /nfs/dbraw/zinc/21/51/90/250215190.db2.gz MAEKAFDRHNPCMM-UHFFFAOYSA-N 0 0 333.307 2.694 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H]2c2ccccc2)c1 ZINC000443679692 250218214 /nfs/dbraw/zinc/21/82/14/250218214.db2.gz FZHOWIMYTBVNST-MRXNPFEDSA-N 0 0 332.381 2.872 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360577316 284760877 /nfs/dbraw/zinc/76/08/77/284760877.db2.gz ASCMAUNGQUENNE-CQSZACIVSA-N 0 0 348.380 2.576 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCCO2 ZINC000009456558 211086427 /nfs/dbraw/zinc/08/64/27/211086427.db2.gz UAQNSSXRWHWHFG-SECBINFHSA-N 0 0 334.353 2.919 10 5 EFBERN CNC(=O)c1ccc(N[C@H](c2cnn(C)c2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000444095209 250257958 /nfs/dbraw/zinc/25/79/58/250257958.db2.gz LGBSTGXAYLHFKO-OAHLLOKOSA-N 0 0 345.403 2.887 10 5 EFBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1nccn1-c1ccccc1)CC2 ZINC000444679561 250327612 /nfs/dbraw/zinc/32/76/12/250327612.db2.gz MYQKFMOZSSJHHM-UHFFFAOYSA-N 0 0 335.367 2.734 10 5 EFBERN C[C@H](Cn1ccnc1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444861726 250359300 /nfs/dbraw/zinc/35/93/00/250359300.db2.gz UUXKVPOXSGONDB-CYBMUJFWSA-N 0 0 346.390 2.696 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CO)c1ccsc1 ZINC000444896737 250362633 /nfs/dbraw/zinc/36/26/33/250362633.db2.gz CZFIAWHFFIZAHD-GFCCVEGCSA-N 0 0 337.357 2.520 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000094062864 218263919 /nfs/dbraw/zinc/26/39/19/218263919.db2.gz OKTLVOCSRRYQNP-OAHLLOKOSA-N 0 0 331.416 2.830 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000444729591 250338108 /nfs/dbraw/zinc/33/81/08/250338108.db2.gz MWJBPQYLGKGUCM-UHFFFAOYSA-N 0 0 344.371 2.985 10 5 EFBERN Cc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000444944784 250368430 /nfs/dbraw/zinc/36/84/30/250368430.db2.gz SUMWBXBGOYURGU-ZDUSSCGKSA-N 0 0 328.372 2.815 10 5 EFBERN C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)[C@H](C)O1 ZINC000446070031 250460263 /nfs/dbraw/zinc/46/02/63/250460263.db2.gz JAYZUCHSWLTKSA-UTUOFQBUSA-N 0 0 332.360 2.643 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(F)(c2ccccc2)CC1 ZINC000447616109 250586309 /nfs/dbraw/zinc/58/63/09/250586309.db2.gz WAZXUKQKYIRPSB-UHFFFAOYSA-N 0 0 346.362 2.669 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCN(c4ccccc4)C3)nc2c1 ZINC000447677350 250593030 /nfs/dbraw/zinc/59/30/30/250593030.db2.gz FRPZOAWGWGGCKM-CYBMUJFWSA-N 0 0 337.383 2.974 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[C@@H](C)[S@@](C)=O ZINC000447812156 250613318 /nfs/dbraw/zinc/61/33/18/250613318.db2.gz QKEILELGNQISFM-CWMRNNLJSA-N 0 0 348.808 2.604 10 5 EFBERN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2ccnn2)cc1 ZINC000447691164 250595310 /nfs/dbraw/zinc/59/53/10/250595310.db2.gz OXLSNJQXMCJABO-LLVKDONJSA-N 0 0 349.354 2.647 10 5 EFBERN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000008775415 211004904 /nfs/dbraw/zinc/00/49/04/211004904.db2.gz KFUYZPNQVAEBRG-QGZVFWFLSA-N 0 0 337.335 2.606 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2)c1[N+](=O)[O-] ZINC000095396730 218329119 /nfs/dbraw/zinc/32/91/19/218329119.db2.gz LXPRZOOPANHENJ-KGLIPLIRSA-N 0 0 344.371 2.746 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@@H](O)COCc2ccccc2)c(Cl)c1 ZINC000095398932 218331753 /nfs/dbraw/zinc/33/17/53/218331753.db2.gz RWPUTIXKGBQMLC-CYBMUJFWSA-N 0 0 337.763 2.633 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2noc(-c3ccccn3)n2)c(Cl)c1 ZINC000095398945 218332125 /nfs/dbraw/zinc/33/21/25/218332125.db2.gz AIJJBUUQBFVRAO-UHFFFAOYSA-N 0 0 346.734 2.743 10 5 EFBERN COC(=O)c1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000008746472 210998007 /nfs/dbraw/zinc/99/80/07/210998007.db2.gz OLVODGANXGAVEH-UHFFFAOYSA-N 0 0 332.341 2.703 10 5 EFBERN Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000008729297 210993444 /nfs/dbraw/zinc/99/34/44/210993444.db2.gz ROGOBJPECZEKOT-UHFFFAOYSA-N 0 0 349.774 2.689 10 5 EFBERN CCc1ccc(NC(=O)N(C)CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000095426817 218369062 /nfs/dbraw/zinc/36/90/62/218369062.db2.gz IJEPDWRQBUJDPR-UHFFFAOYSA-N 0 0 331.376 2.908 10 5 EFBERN C[C@H]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000095434790 218377371 /nfs/dbraw/zinc/37/73/71/218377371.db2.gz SSHZMSAOPPIZEA-SWLSCSKDSA-N 0 0 341.367 2.511 10 5 EFBERN Cc1sc(C(=O)N[C@H](CCO)c2cccs2)cc1[N+](=O)[O-] ZINC000095445778 218389681 /nfs/dbraw/zinc/38/96/81/218389681.db2.gz QSRRVJVZFCRMAJ-SECBINFHSA-N 0 0 326.399 2.880 10 5 EFBERN O=C(NCc1cccc(Cl)c1)c1ccc(NCCO)c([N+](=O)[O-])c1 ZINC000008189206 210910122 /nfs/dbraw/zinc/91/01/22/210910122.db2.gz WPISFCZBKGSVTQ-UHFFFAOYSA-N 0 0 349.774 2.582 10 5 EFBERN COc1cccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)n(C)n2)c1 ZINC000095977603 218482356 /nfs/dbraw/zinc/48/23/56/218482356.db2.gz MKPKJYKQXDNKGA-UHFFFAOYSA-N 0 0 342.311 2.849 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCc2n[nH]cc2C1 ZINC000096008694 218509580 /nfs/dbraw/zinc/50/95/80/218509580.db2.gz ZYEGTVYIGRXIIL-SECBINFHSA-N 0 0 335.751 2.650 10 5 EFBERN Cc1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000006976067 210750469 /nfs/dbraw/zinc/75/04/69/210750469.db2.gz QGOFWIBGIFJOMB-OAHLLOKOSA-N 0 0 327.340 2.697 10 5 EFBERN O=[N+]([O-])c1ccccc1CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449429526 251024635 /nfs/dbraw/zinc/02/46/35/251024635.db2.gz VDPPOFRQGSQIHY-SJLPKXTDSA-N 0 0 330.359 2.895 10 5 EFBERN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN(CC(F)(F)F)C1 ZINC000449666933 251107318 /nfs/dbraw/zinc/10/73/18/251107318.db2.gz QPLZONNSGZZCMW-LBPRGKRZSA-N 0 0 331.338 2.911 10 5 EFBERN Cc1[nH]nc(SCC(=O)NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000006621860 210663767 /nfs/dbraw/zinc/66/37/67/210663767.db2.gz JPDZGJFLUOMUNM-UHFFFAOYSA-N 0 0 340.792 2.688 10 5 EFBERN COc1ccc(N2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nc1 ZINC000449764935 251148166 /nfs/dbraw/zinc/14/81/66/251148166.db2.gz FKNOAESNSHNEMK-UHFFFAOYSA-N 0 0 342.399 2.629 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC000449792268 251157020 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O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](CCO)c1ccccc1 ZINC000341159097 145003884 /nfs/dbraw/zinc/00/38/84/145003884.db2.gz BNBLXLJTCIHJIN-INIZCTEOSA-N 0 0 343.383 2.560 10 5 EFBERN C[C@H](NC(=O)c1ncn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000341259872 145022167 /nfs/dbraw/zinc/02/21/67/145022167.db2.gz LOQPPIRQIKGUSR-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN C[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000341283489 145025924 /nfs/dbraw/zinc/02/59/24/145025924.db2.gz JWLNGANWCZXRIB-YYUOZPCZSA-N 0 0 346.408 2.964 10 5 EFBERN Cc1nn(CCC(=O)N2Cc3ccccc3[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000341294550 145028273 /nfs/dbraw/zinc/02/82/73/145028273.db2.gz YYVRLAMNNATGEN-GFCCVEGCSA-N 0 0 328.372 2.902 10 5 EFBERN COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000341309096 145030741 /nfs/dbraw/zinc/03/07/41/145030741.db2.gz USDJEIFLHADQRY-NSHDSACASA-N 0 0 328.324 2.872 10 5 EFBERN COc1ncc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000341342539 145036611 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ZINC000356444035 147246131 /nfs/dbraw/zinc/24/61/31/147246131.db2.gz AZBQMABAVNNRPB-UHFFFAOYSA-N 0 0 332.385 2.683 10 5 EFBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356445845 147246148 /nfs/dbraw/zinc/24/61/48/147246148.db2.gz PVDDSDCNXMIJAA-LBPRGKRZSA-N 0 0 345.380 2.909 10 5 EFBERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000356490561 147259707 /nfs/dbraw/zinc/25/97/07/147259707.db2.gz YBHSFYZBDYGBMN-PKOBYXMFSA-N 0 0 340.379 2.992 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3noc(-c4ccccc4)n3)n2)c1 ZINC000356568454 147279663 /nfs/dbraw/zinc/27/96/63/147279663.db2.gz ZVZVRJKEVLYSHU-UHFFFAOYSA-N 0 0 348.322 2.952 10 5 EFBERN Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)on1 ZINC000356606089 147289348 /nfs/dbraw/zinc/28/93/48/147289348.db2.gz YUQCCSFRDNANRB-UHFFFAOYSA-N 0 0 343.261 2.883 10 5 EFBERN Cc1cc(C(=O)NCC(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356667675 147304993 /nfs/dbraw/zinc/30/49/93/147304993.db2.gz INKAONPGGDVHTA-BZPMIXESSA-N 0 0 347.415 2.526 10 5 EFBERN Cc1cc(C(=O)NCC(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356667693 147305063 /nfs/dbraw/zinc/30/50/63/147305063.db2.gz INKAONPGGDVHTA-DYEKYZERSA-N 0 0 347.415 2.526 10 5 EFBERN Cc1nn(Cc2ccc(C(=O)NCC[C@@H](C)F)cc2)c(C)c1[N+](=O)[O-] ZINC000356673434 147306408 /nfs/dbraw/zinc/30/64/08/147306408.db2.gz QRFOLSPGKRQLKZ-LLVKDONJSA-N 0 0 348.378 2.934 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)F ZINC000356676006 147307314 /nfs/dbraw/zinc/30/73/14/147307314.db2.gz ONTGRIVJXDHUJA-SNVBAGLBSA-N 0 0 330.381 2.811 10 5 EFBERN COc1cc(C(=O)N[C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000356721058 147318471 /nfs/dbraw/zinc/31/84/71/147318471.db2.gz CVIYDHOYTZZHEW-VXNVDRBHSA-N 0 0 330.287 2.733 10 5 EFBERN C[C@H](F)CCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000356734619 147322575 /nfs/dbraw/zinc/32/25/75/147322575.db2.gz VXMQHQULMVVONQ-YFKPBYRVSA-N 0 0 325.159 2.897 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCC[C@H]1CCO ZINC000356737024 147323157 /nfs/dbraw/zinc/32/31/57/147323157.db2.gz PCZYCFAMEDAMIW-AWEZNQCLSA-N 0 0 345.399 2.772 10 5 EFBERN Cc1nc(N)nc(C)c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356740587 147324109 /nfs/dbraw/zinc/32/41/09/147324109.db2.gz SWXCAJXTFHOOEJ-UHFFFAOYSA-N 0 0 343.387 2.964 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)c2cccnc2C(N)=O)cc1[N+](=O)[O-] ZINC000356744890 147325236 /nfs/dbraw/zinc/32/52/36/147325236.db2.gz YTSOEUVGBLDWPV-UHFFFAOYSA-N 0 0 342.355 2.639 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCC[C@@H]1CCO ZINC000356750568 147326505 /nfs/dbraw/zinc/32/65/05/147326505.db2.gz ZYJGQRMIYJDVGW-GFCCVEGCSA-N 0 0 331.372 2.843 10 5 EFBERN O=C([C@H]1CC12CCN(c1ccc([N+](=O)[O-])nc1)CC2)N1CCCCC1 ZINC000356794770 147337239 /nfs/dbraw/zinc/33/72/39/147337239.db2.gz OVHZAEJKXURVRR-OAHLLOKOSA-N 0 0 344.415 2.609 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)CO ZINC000356808013 147341650 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CC(C)n1cc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2n1 ZINC000357911203 147657885 /nfs/dbraw/zinc/65/78/85/147657885.db2.gz NEMGGWIGFZVGNQ-UHFFFAOYSA-N 0 0 328.332 2.511 10 5 EFBERN Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000358601886 147849347 /nfs/dbraw/zinc/84/93/47/147849347.db2.gz NJABQLAOHRKOJY-UHFFFAOYSA-N 0 0 336.369 2.850 10 5 EFBERN Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000358616531 147852960 /nfs/dbraw/zinc/85/29/60/147852960.db2.gz ZRYQONIHFWDVHE-UHFFFAOYSA-N 0 0 336.369 2.850 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000358881736 147926894 /nfs/dbraw/zinc/92/68/94/147926894.db2.gz KNRHGIFQLCXMFB-SNVBAGLBSA-N 0 0 342.779 2.874 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1coc(Br)c1 ZINC000358907665 147933701 /nfs/dbraw/zinc/93/37/01/147933701.db2.gz UOMMHSLPDBVIIP-UHFFFAOYSA-N 0 0 339.145 2.923 10 5 EFBERN C[C@H]1CSCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358969904 147952698 /nfs/dbraw/zinc/95/26/98/147952698.db2.gz TUFFIDZPBFFLDD-QMMMGPOBSA-N 0 0 332.328 2.774 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(Oc2ccc(O[C@H](C)C(N)=O)cc2)n1 ZINC000359102677 147995049 /nfs/dbraw/zinc/99/50/49/147995049.db2.gz SZXSNZSJPPSSHF-LLVKDONJSA-N 0 0 331.328 2.652 10 5 EFBERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000359103512 147995823 /nfs/dbraw/zinc/99/58/23/147995823.db2.gz TXOIBEXKZGMOFC-SECBINFHSA-N 0 0 339.348 2.706 10 5 EFBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@@H]1CCO ZINC000359170828 148014054 /nfs/dbraw/zinc/01/40/54/148014054.db2.gz VYDLFXPJCSYINW-LLVKDONJSA-N 0 0 344.314 2.573 10 5 EFBERN COCc1nc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cs1 ZINC000359257294 148037822 /nfs/dbraw/zinc/03/78/22/148037822.db2.gz GYSSAFPXRZMOJB-UHFFFAOYSA-N 0 0 346.368 2.609 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3cccnc3)s2)n1 ZINC000359396919 148075408 /nfs/dbraw/zinc/07/54/08/148075408.db2.gz XDOAQCNMNLVCFT-UHFFFAOYSA-N 0 0 344.356 2.582 10 5 EFBERN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359419096 148080489 /nfs/dbraw/zinc/08/04/89/148080489.db2.gz YGSZUMMPFUEFHU-KOLCDFICSA-N 0 0 344.314 2.572 10 5 EFBERN C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359419099 148080511 /nfs/dbraw/zinc/08/05/11/148080511.db2.gz YGSZUMMPFUEFHU-MWLCHTKSSA-N 0 0 344.314 2.572 10 5 EFBERN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359432727 148083786 /nfs/dbraw/zinc/08/37/86/148083786.db2.gz BOTHYMUEDJYTTC-PSLIRLAXSA-N 0 0 346.330 2.723 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(-c3ccc(F)cc3)no2)c1=O ZINC000359461401 148090889 /nfs/dbraw/zinc/09/08/89/148090889.db2.gz YSKQPPHNHCNOPM-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000359545619 148117995 /nfs/dbraw/zinc/11/79/95/148117995.db2.gz MQAAAOILRGMCFK-CQSZACIVSA-N 0 0 342.399 2.674 10 5 EFBERN Cc1ccsc1[C@H](CO)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359550982 148119635 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Cc1ccncc1N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000359947365 148231299 /nfs/dbraw/zinc/23/12/99/148231299.db2.gz OWLZEZUXMADCNT-UHFFFAOYSA-N 0 0 338.371 2.501 10 5 EFBERN Cc1ccc2c(c1)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000360013135 148249891 /nfs/dbraw/zinc/24/98/91/148249891.db2.gz YYUTZJNZIRWJFU-UHFFFAOYSA-N 0 0 338.410 2.712 10 5 EFBERN Cc1cc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c(F)cc1[N+](=O)[O-] ZINC000360047855 148259985 /nfs/dbraw/zinc/25/99/85/148259985.db2.gz NMOCNLVLWUXPJF-UHFFFAOYSA-N 0 0 345.378 2.969 10 5 EFBERN Cc1cc(N2CCCC[C@H]2CN2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000360048703 148260278 /nfs/dbraw/zinc/26/02/78/148260278.db2.gz XHHSVTPQXMKMMP-AWEZNQCLSA-N 0 0 337.395 2.733 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000360065048 148263996 /nfs/dbraw/zinc/26/39/96/148263996.db2.gz YGIPGMNDGILQIJ-DGCLKSJQSA-N 0 0 344.346 2.976 10 5 EFBERN Cc1cc(N2CCC[C@@H](c3ccnc(N)n3)C2)c(F)cc1[N+](=O)[O-] ZINC000360071027 148264958 /nfs/dbraw/zinc/26/49/58/148264958.db2.gz JGFGDYDNHWXZNI-LLVKDONJSA-N 0 0 331.351 2.629 10 5 EFBERN Cc1cc(N2CC(=O)N(C)[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360082430 148266280 /nfs/dbraw/zinc/26/62/80/148266280.db2.gz LHRIYNRPHPIABQ-VIFPVBQESA-N 0 0 331.294 2.589 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(=O)N(C)C2CCCCC2)c1 ZINC000360112053 148274905 /nfs/dbraw/zinc/27/49/05/148274905.db2.gz LCRLDACLLLTLNS-UHFFFAOYSA-N 0 0 349.387 2.584 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccc(OC)c(O)c2)c1 ZINC000360112917 148275277 /nfs/dbraw/zinc/27/52/77/148275277.db2.gz PBIIBLCECLPYRS-UHFFFAOYSA-N 0 0 346.339 2.732 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2nc(C(C)C)no2)c1 ZINC000360143546 148282629 /nfs/dbraw/zinc/28/26/29/148282629.db2.gz JFJRBWYRRHVKOS-UHFFFAOYSA-N 0 0 348.359 2.933 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2c(C)cc(C)[nH]c2=O)c1 ZINC000360143560 148282917 /nfs/dbraw/zinc/28/29/17/148282917.db2.gz JHADMSMXAWRSBS-UHFFFAOYSA-N 0 0 331.328 2.711 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(NC(C)=O)cc2)c1 ZINC000360150062 148284122 /nfs/dbraw/zinc/28/41/22/148284122.db2.gz SPGGXHVMCQOZIM-UHFFFAOYSA-N 0 0 343.339 2.952 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2C2CC2)cc([N+](=O)[O-])c1 ZINC000360221661 148303248 /nfs/dbraw/zinc/30/32/48/148303248.db2.gz FYGBBODUFXIGRS-OAHLLOKOSA-N 0 0 332.356 2.786 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000360250075 148311041 /nfs/dbraw/zinc/31/10/41/148311041.db2.gz LXJHMVXVIDGBSM-GJZGRUSLSA-N 0 0 332.381 2.738 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000360250077 148311479 /nfs/dbraw/zinc/31/14/79/148311479.db2.gz LXJHMVXVIDGBSM-LSDHHAIUSA-N 0 0 332.381 2.738 10 5 EFBERN O=[N+]([O-])c1cnccc1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000360277486 148317339 /nfs/dbraw/zinc/31/73/39/148317339.db2.gz CASPWEOJDOHWCQ-UHFFFAOYSA-N 0 0 331.719 2.727 10 5 EFBERN CNC(=O)C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000360292893 148322026 /nfs/dbraw/zinc/32/20/26/148322026.db2.gz IHVLZTOGIHJGRN-GFCCVEGCSA-N 0 0 334.763 2.933 10 5 EFBERN CCOC1CC(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000360300280 148324228 /nfs/dbraw/zinc/32/42/28/148324228.db2.gz UMWLSIQLZGIQSB-UHFFFAOYSA-N 0 0 344.314 2.836 10 5 EFBERN Cc1nnnn1-c1cc(NCc2csc([N+](=O)[O-])c2)ccc1F ZINC000360365874 148342693 /nfs/dbraw/zinc/34/26/93/148342693.db2.gz QUDHCJZTUPBQRQ-UHFFFAOYSA-N 0 0 334.336 2.692 10 5 EFBERN COc1ccc(NC(=O)NCc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000360396204 148351162 /nfs/dbraw/zinc/35/11/62/148351162.db2.gz ROKMTYAVOSSGRF-UHFFFAOYSA-N 0 0 349.318 2.557 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360556404 148392167 /nfs/dbraw/zinc/39/21/67/148392167.db2.gz JHYYGZIMCGELDX-QGZVFWFLSA-N 0 0 342.351 2.515 10 5 EFBERN COc1cccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000360934690 148494507 /nfs/dbraw/zinc/49/45/07/148494507.db2.gz PKAVOMSGWTYECY-UHFFFAOYSA-N 0 0 336.294 2.741 10 5 EFBERN CNc1c(C(=O)N(C)CCc2ccccc2OC)cccc1[N+](=O)[O-] ZINC000361213637 148572639 /nfs/dbraw/zinc/57/26/39/148572639.db2.gz SGTZJAFBINBZBJ-UHFFFAOYSA-N 0 0 343.383 2.960 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1CC(=O)CC2 ZINC000361338502 148604696 /nfs/dbraw/zinc/60/46/96/148604696.db2.gz FWAPAAUZGGUTCS-UHFFFAOYSA-N 0 0 340.335 2.914 10 5 EFBERN COc1cc(OC)c(OC)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361625471 148664831 /nfs/dbraw/zinc/66/48/31/148664831.db2.gz UZEQUDQFYCFTFQ-UHFFFAOYSA-N 0 0 347.327 2.576 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000361691482 148677956 /nfs/dbraw/zinc/67/79/56/148677956.db2.gz SPQAPFRLRCTUEZ-CQSZACIVSA-N 0 0 345.399 2.965 10 5 EFBERN CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000362137587 148763315 /nfs/dbraw/zinc/76/33/15/148763315.db2.gz JRKHGZPYVFPUNU-CQSZACIVSA-N 0 0 334.351 2.965 10 5 EFBERN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000362201340 148775124 /nfs/dbraw/zinc/77/51/24/148775124.db2.gz VTRARWUTSAVLSG-INIZCTEOSA-N 0 0 327.340 2.512 10 5 EFBERN Cc1noc(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC000362350260 148804533 /nfs/dbraw/zinc/80/45/33/148804533.db2.gz ZDJHJVLLDPJDJL-UHFFFAOYSA-N 0 0 343.318 2.564 10 5 EFBERN COC(=O)c1cc(NC(=O)CCCSC)c(C)c([N+](=O)[O-])c1 ZINC000362650128 148862640 /nfs/dbraw/zinc/86/26/40/148862640.db2.gz TUZJXJNPSYAIEZ-UHFFFAOYSA-N 0 0 326.374 2.772 10 5 EFBERN Cc1c(Br)c(N2CCO[C@H](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000362676567 148867256 /nfs/dbraw/zinc/86/72/56/148867256.db2.gz VFXXLCWXXVLAQW-NSHDSACASA-N 0 0 342.193 2.676 10 5 EFBERN COc1ccc(NC(=O)c2ccc(N(C)C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000362723693 148874871 /nfs/dbraw/zinc/87/48/71/148874871.db2.gz LLODYAMUXPIZSO-UHFFFAOYSA-N 0 0 343.339 2.838 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000363708189 149002895 /nfs/dbraw/zinc/00/28/95/149002895.db2.gz RYQHKZFGAGHZHM-QGZVFWFLSA-N 0 0 328.324 2.850 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000363708182 149003081 /nfs/dbraw/zinc/00/30/81/149003081.db2.gz RYQHKZFGAGHZHM-KRWDZBQOSA-N 0 0 328.324 2.850 10 5 EFBERN C[C@@H]1N(C(=O)CCNc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363805042 149014453 /nfs/dbraw/zinc/01/44/53/149014453.db2.gz XBYJIEZMVJTPCH-AWEZNQCLSA-N 0 0 347.415 2.814 10 5 EFBERN Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000363851199 149020871 /nfs/dbraw/zinc/02/08/71/149020871.db2.gz WUAJNHVWKUVHGL-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000364137204 149076462 /nfs/dbraw/zinc/07/64/62/149076462.db2.gz HMBCOMOHPZXKJY-OAHLLOKOSA-N 0 0 349.431 2.696 10 5 EFBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](C2CC2)C1 ZINC000364414615 149144144 /nfs/dbraw/zinc/14/41/44/149144144.db2.gz FMEXBLRGVXFZOO-XHDPSFHLSA-N 0 0 344.371 2.817 10 5 EFBERN O=[N+]([O-])c1ccc(Cc2noc([C@H]3COc4ccccc4C3)n2)nc1 ZINC000364475106 149162001 /nfs/dbraw/zinc/16/20/01/149162001.db2.gz GFVRJPYMZUWBBT-GFCCVEGCSA-N 0 0 338.323 2.682 10 5 EFBERN C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000364691996 149218137 /nfs/dbraw/zinc/21/81/37/149218137.db2.gz YOIHPPXGMSBGSA-GXFFZTMASA-N 0 0 330.431 2.857 10 5 EFBERN C[C@@H]1CC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000364691997 149218213 /nfs/dbraw/zinc/21/82/13/149218213.db2.gz YOIHPPXGMSBGSA-MFKMUULPSA-N 0 0 330.431 2.857 10 5 EFBERN C[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCC12CCOCC2 ZINC000364953108 149283391 /nfs/dbraw/zinc/28/33/91/149283391.db2.gz LLOXSAXQKYNICU-CYBMUJFWSA-N 0 0 347.415 2.692 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2(CCC2)C[C@@H]1C ZINC000365232150 149349076 /nfs/dbraw/zinc/34/90/76/149349076.db2.gz PJAMVCZVWAEJRF-NSHDSACASA-N 0 0 340.401 2.557 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2(CCC2)C[C@H]1C ZINC000365232149 149349338 /nfs/dbraw/zinc/34/93/38/149349338.db2.gz PJAMVCZVWAEJRF-LLVKDONJSA-N 0 0 340.401 2.557 10 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150039620 /nfs/dbraw/zinc/03/96/20/150039620.db2.gz FBTIGGNOKUBWJO-NSHDSACASA-N 0 0 329.360 2.614 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccnc(-n2ccnc2)c1 ZINC000368108013 150039661 /nfs/dbraw/zinc/03/96/61/150039661.db2.gz IMQUVPFZBZYXJI-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368110848 150040235 /nfs/dbraw/zinc/04/02/35/150040235.db2.gz FBTIGGNOKUBWJO-LLVKDONJSA-N 0 0 329.360 2.614 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCNC(=O)[C@@H]1c1cccs1 ZINC000368221379 150069903 /nfs/dbraw/zinc/06/99/03/150069903.db2.gz NQJFJVUEXCSSKW-HNNXBMFYSA-N 0 0 331.397 2.638 10 5 EFBERN COc1cc(NCC2(O)Cc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000368453969 150121390 /nfs/dbraw/zinc/12/13/90/150121390.db2.gz NWQJBOMKURNHRB-UHFFFAOYSA-N 0 0 332.331 2.684 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2ccnn2C)C1 ZINC000368478574 150127662 /nfs/dbraw/zinc/12/76/62/150127662.db2.gz OYJRUFAQUPZSQX-CYBMUJFWSA-N 0 0 328.372 2.657 10 5 EFBERN COCC[C@@H]1CCCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000368491869 150131278 /nfs/dbraw/zinc/13/12/78/150131278.db2.gz KLVUHQAJISQHJK-NSHDSACASA-N 0 0 339.367 2.595 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC(F)(F)C[C@@H]2CO)c(Br)c1 ZINC000368719059 150189364 /nfs/dbraw/zinc/18/93/64/150189364.db2.gz MOELRBLVNPSZJZ-MRVPVSSYSA-N 0 0 337.120 2.564 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000368774014 150201647 /nfs/dbraw/zinc/20/16/47/150201647.db2.gz FBXCHQKWOIIJIE-CQSZACIVSA-N 0 0 338.327 2.624 10 5 EFBERN COc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000368867274 150224814 /nfs/dbraw/zinc/22/48/14/150224814.db2.gz QCBSSJGIQCMZRZ-AWEZNQCLSA-N 0 0 343.339 2.560 10 5 EFBERN COc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000368867275 150225379 /nfs/dbraw/zinc/22/53/79/150225379.db2.gz QCBSSJGIQCMZRZ-CQSZACIVSA-N 0 0 343.339 2.560 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2cc(C)nc2C1 ZINC000368871200 150226242 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EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC(OCc2ccccc2)C1 ZINC000369435145 150355747 /nfs/dbraw/zinc/35/57/47/150355747.db2.gz FXEOGVYRHLFWGL-UHFFFAOYSA-N 0 0 341.367 2.776 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000369569813 150390971 /nfs/dbraw/zinc/39/09/71/150390971.db2.gz LGYPFCZDRBQYMY-CQSZACIVSA-N 0 0 328.372 2.575 10 5 EFBERN CCc1oc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000369648053 150415015 /nfs/dbraw/zinc/41/50/15/150415015.db2.gz LAFGBXVHRAJPQG-UHFFFAOYSA-N 0 0 332.360 2.732 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000370289077 150561168 /nfs/dbraw/zinc/56/11/68/150561168.db2.gz PXRSWGAIUHFPOC-MRXNPFEDSA-N 0 0 330.319 2.514 10 5 EFBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000370390837 150582639 /nfs/dbraw/zinc/58/26/39/150582639.db2.gz OFZKYEXDZLXVLV-DIFFPNOSSA-N 0 0 341.367 2.641 10 5 EFBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000370390836 150582685 /nfs/dbraw/zinc/58/26/85/150582685.db2.gz OFZKYEXDZLXVLV-APPDUMDISA-N 0 0 341.367 2.641 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000371104194 150730617 /nfs/dbraw/zinc/73/06/17/150730617.db2.gz NINGUYLEWYLUMM-GASCZTMLSA-N 0 0 345.399 2.589 10 5 EFBERN Nc1ccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000371862570 150908202 /nfs/dbraw/zinc/90/82/02/150908202.db2.gz CYLACZWJNQHPFO-MRXNPFEDSA-N 0 0 333.388 2.598 10 5 EFBERN COc1cc(N2CCC(C3(C)OCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000269022254 286228456 /nfs/dbraw/zinc/22/84/56/286228456.db2.gz FTKCPTXXVKFCNY-UHFFFAOYSA-N 0 0 340.351 2.722 10 5 EFBERN COc1cc(N2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1F ZINC000362240660 286229115 /nfs/dbraw/zinc/22/91/15/286229115.db2.gz SZWVHQMUGCKJQU-NSHDSACASA-N 0 0 334.351 2.860 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000372379536 150993800 /nfs/dbraw/zinc/99/38/00/150993800.db2.gz ZQBMLHFXANCIET-CQSZACIVSA-N 0 0 336.413 2.958 10 5 EFBERN COC(=O)c1cnc(N2CCC(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000372777390 151060698 /nfs/dbraw/zinc/06/06/98/151060698.db2.gz VCUOHYCDAGTZFF-UHFFFAOYSA-N 0 0 342.355 2.555 10 5 EFBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000372866221 151073917 /nfs/dbraw/zinc/07/39/17/151073917.db2.gz BIVPDFHMEVASQC-GFCCVEGCSA-N 0 0 341.371 2.580 10 5 EFBERN COc1cc(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000372917024 151080991 /nfs/dbraw/zinc/08/09/91/151080991.db2.gz LQKRXGBJQJMNOX-NSHDSACASA-N 0 0 340.401 2.557 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000373593599 151195825 /nfs/dbraw/zinc/19/58/25/151195825.db2.gz MONLNAFJYFIFGT-QGZVFWFLSA-N 0 0 346.362 2.823 10 5 EFBERN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000373626629 151200870 /nfs/dbraw/zinc/20/08/70/151200870.db2.gz VELDZQFRSGFGBL-UHFFFAOYSA-N 0 0 330.275 2.980 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000373879557 151242616 /nfs/dbraw/zinc/24/26/16/151242616.db2.gz GXZHTRKKKRWUKG-UMSPYCQHSA-N 0 0 334.763 2.658 10 5 EFBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000373924628 151250641 /nfs/dbraw/zinc/25/06/41/151250641.db2.gz MUWKACPIVUGRJR-QGZVFWFLSA-N 0 0 344.346 2.746 10 5 EFBERN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@]2(CCOC2)O1 ZINC000373967735 151259018 /nfs/dbraw/zinc/25/90/18/151259018.db2.gz GRPRJNAIEZBLES-YOEHRIQHSA-N 0 0 349.387 2.705 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000373979821 151261124 /nfs/dbraw/zinc/26/11/24/151261124.db2.gz ZLHBOXSRUCSRQM-MRXNPFEDSA-N 0 0 339.355 2.601 10 5 EFBERN C[C@@H]1C[C@@]2(CCO1)CN(Cc1csc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374015536 151268197 /nfs/dbraw/zinc/26/81/97/151268197.db2.gz WBPWVEBFGKWLOT-XUJVJEKNSA-N 0 0 326.418 2.815 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000374213311 151302668 /nfs/dbraw/zinc/30/26/68/151302668.db2.gz JLTWWVZUSJLBPR-OAHLLOKOSA-N 0 0 327.340 2.592 10 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/nfs/dbraw/zinc/38/93/02/151389302.db2.gz HXHQDGGBNRJXBY-GOOCMWNKSA-N 0 0 340.383 2.879 10 5 EFBERN CCc1nn(C)c(N2CCC(c3ccc(C)nc3)CC2)c1[N+](=O)[O-] ZINC000374677302 151394052 /nfs/dbraw/zinc/39/40/52/151394052.db2.gz IRUMWDGUAYUHFN-UHFFFAOYSA-N 0 0 329.404 2.978 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000374848932 151422986 /nfs/dbraw/zinc/42/29/86/151422986.db2.gz ZJQOENFTYYNZBZ-KSSFIOAISA-N 0 0 340.383 2.870 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375259411 151500446 /nfs/dbraw/zinc/50/04/46/151500446.db2.gz WLQSLUHUSUUTFP-VIFPVBQESA-N 0 0 335.751 2.898 10 5 EFBERN CC(=O)c1cc(NCC2(O)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000376219342 151677534 /nfs/dbraw/zinc/67/75/34/151677534.db2.gz NDQSFNMWAQVXJF-UHFFFAOYSA-N 0 0 326.352 2.739 10 5 EFBERN CC(=O)c1cc(N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000376421438 151711670 /nfs/dbraw/zinc/71/16/70/151711670.db2.gz PHPRMIQOCUAIDQ-ZJNRKIDTSA-N 0 0 348.399 2.960 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@]2(C1)CCCOC2 ZINC000376477912 151720802 /nfs/dbraw/zinc/72/08/02/151720802.db2.gz FFJMARWONKHPME-KRWDZBQOSA-N 0 0 334.372 2.697 10 5 EFBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOCC1 ZINC000377547220 151893537 /nfs/dbraw/zinc/89/35/37/151893537.db2.gz XQHSSQBYQVYRST-LBPRGKRZSA-N 0 0 330.344 2.536 10 5 EFBERN Cc1c(C(=O)Nc2cn(C)nc2-c2ccccn2)cccc1[N+](=O)[O-] ZINC000378140269 152017598 /nfs/dbraw/zinc/01/75/98/152017598.db2.gz LERSIIZRJGSSEC-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Cc1nc2c(s1)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378584809 152120888 /nfs/dbraw/zinc/12/08/88/152120888.db2.gz AWGFOQJBUSVASU-AWEZNQCLSA-N 0 0 347.396 2.932 10 5 EFBERN Cc1nc([C@H]2CCCCCN2C(=O)c2cccc([N+](=O)[O-])c2N)no1 ZINC000378601591 152125261 /nfs/dbraw/zinc/12/52/61/152125261.db2.gz UGUBBBKVZPWWGR-CYBMUJFWSA-N 0 0 345.359 2.626 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000408185569 152160645 /nfs/dbraw/zinc/16/06/45/152160645.db2.gz DIGBREWBUMDGFG-HEHGZKQESA-N 0 0 332.400 2.735 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408187173 152160985 /nfs/dbraw/zinc/16/09/85/152160985.db2.gz LCTYRAOUPOHGES-TVYUQYBPSA-N 0 0 332.381 2.652 10 5 EFBERN C[C@@H]1CCC[C@H](C)N(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000408249448 152168624 /nfs/dbraw/zinc/16/86/24/152168624.db2.gz VUCWSKKHIWBVFF-OLZOCXBDSA-N 0 0 348.399 2.946 10 5 EFBERN C[C@@H]1CCC[C@H](C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408249449 152168654 /nfs/dbraw/zinc/16/86/54/152168654.db2.gz VUCWSKKHIWBVFF-QWHCGFSZSA-N 0 0 348.399 2.946 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000408303017 152174097 /nfs/dbraw/zinc/17/40/97/152174097.db2.gz LKDQRSHVWXNYBY-UPJWGTAASA-N 0 0 326.418 2.791 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2C[C@@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000408315245 152175223 /nfs/dbraw/zinc/17/52/23/152175223.db2.gz GECNKSMCEFDUJC-VIFPVBQESA-N 0 0 330.381 2.851 10 5 EFBERN COc1cc(C(=O)N2CCC[C@]3(CCCOC3)C2)cc([N+](=O)[O-])c1C ZINC000408327194 152176292 /nfs/dbraw/zinc/17/62/92/152176292.db2.gz BQZQIBZYIOXZJX-SFHVURJKSA-N 0 0 348.399 2.945 10 5 EFBERN COc1cc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc([N+](=O)[O-])c1C ZINC000408327193 152176583 /nfs/dbraw/zinc/17/65/83/152176583.db2.gz BQZQIBZYIOXZJX-GOSISDBHSA-N 0 0 348.399 2.945 10 5 EFBERN COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000408302690 286350814 /nfs/dbraw/zinc/35/08/14/286350814.db2.gz IAKGQKKWESRICT-IJLUTSLNSA-N 0 0 342.417 2.659 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000180474469 292379280 /nfs/dbraw/zinc/37/92/80/292379280.db2.gz WHJBJIKMGULXAD-UHFFFAOYSA-N 0 0 333.731 2.991 10 5 EFBERN Cc1cccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c1[N+](=O)[O-] ZINC000185291009 292428614 /nfs/dbraw/zinc/42/86/14/292428614.db2.gz SVBXCHWNFCYVSA-AWEZNQCLSA-N 0 0 328.324 2.971 10 5 EFBERN C[C@@H]1CC(C)(C)CN1c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000413555153 287218072 /nfs/dbraw/zinc/21/80/72/287218072.db2.gz COUIXMPCNZTDHX-CYBMUJFWSA-N 0 0 347.415 2.692 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCCO1 ZINC000159049037 225136224 /nfs/dbraw/zinc/13/62/24/225136224.db2.gz JEXINTBYZGOZNV-GZMMTYOYSA-N 0 0 343.177 2.655 10 5 EFBERN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCCn2nccc21 ZINC000448204225 304479192 /nfs/dbraw/zinc/47/91/92/304479192.db2.gz NCJZVBPGOFATDI-UHFFFAOYSA-N 0 0 340.261 2.861 10 5 EFBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@]12CCOC2 ZINC000422067811 304482291 /nfs/dbraw/zinc/48/22/91/304482291.db2.gz OJFAPBXLXCEQMW-CYBMUJFWSA-N 0 0 330.262 2.619 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c(N)c([N+](=O)[O-])c1 ZINC000170899993 226789741 /nfs/dbraw/zinc/78/97/41/226789741.db2.gz ZPCMKHIETQVVGH-VIFPVBQESA-N 0 0 331.294 2.900 10 5 EFBERN Cc1nn(CCC(=O)Nc2ccnn2[C@H](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000171422375 227072409 /nfs/dbraw/zinc/07/24/09/227072409.db2.gz FZONUGNWXXAUIG-LLVKDONJSA-N 0 0 346.391 2.604 10 5 EFBERN COc1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000120731237 221659032 /nfs/dbraw/zinc/65/90/32/221659032.db2.gz LHMZATSZOWLFIW-OAHLLOKOSA-N 0 0 348.380 2.879 10 5 EFBERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121845926 221950668 /nfs/dbraw/zinc/95/06/68/221950668.db2.gz NQUUHVLPEFGDCN-RKDXNWHRSA-N 0 0 343.177 2.607 10 5 EFBERN CC(C)C(=O)N1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122607659 222124270 /nfs/dbraw/zinc/12/42/70/222124270.db2.gz KKBAZEHOIOVGCC-UHFFFAOYSA-N 0 0 326.784 2.702 10 5 EFBERN CCC1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000122649827 222131205 /nfs/dbraw/zinc/13/12/05/222131205.db2.gz LGVAXZQYANZDCK-UHFFFAOYSA-N 0 0 334.372 2.871 10 5 EFBERN COc1cc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000123613897 222305315 /nfs/dbraw/zinc/30/53/15/222305315.db2.gz CMLKMRLWCIQTES-SWLSCSKDSA-N 0 0 344.371 2.523 10 5 EFBERN O=C(NC[C@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123715969 222322049 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343.177 2.512 10 5 EFBERN C[C@H]1COCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000278509290 267464417 /nfs/dbraw/zinc/46/44/17/267464417.db2.gz MBYSUZLSPYACAI-GXSJLCMTSA-N 0 0 344.820 2.882 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCN(c4cccs4)CC3)nc2c1 ZINC000278522873 267469687 /nfs/dbraw/zinc/46/96/87/267469687.db2.gz SNLGUXYJSHHDBS-UHFFFAOYSA-N 0 0 329.385 2.859 10 5 EFBERN CC1(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000175077138 273028498 /nfs/dbraw/zinc/02/84/98/273028498.db2.gz IVHLSRDVEUGWBF-UHFFFAOYSA-N 0 0 347.371 2.589 10 5 EFBERN CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000175674639 273030231 /nfs/dbraw/zinc/03/02/31/273030231.db2.gz DNEWILQKNYNAJM-CQSZACIVSA-N 0 0 342.355 2.504 10 5 EFBERN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000176048573 273031097 /nfs/dbraw/zinc/03/10/97/273031097.db2.gz KCKURVZEZOEGLO-LBPRGKRZSA-N 0 0 344.371 2.867 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(C(N)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000177800825 273038501 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10 5 EFBERN CO[C@H](C)c1noc(CN(C)c2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000269633708 273086247 /nfs/dbraw/zinc/08/62/47/273086247.db2.gz MFFLECFFUXQFOO-SSDOTTSWSA-N 0 0 328.275 2.600 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000270377506 273094009 /nfs/dbraw/zinc/09/40/09/273094009.db2.gz AVRMMQRNQDPUEQ-BONVTDFDSA-N 0 0 340.401 2.816 10 5 EFBERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000270408109 273094266 /nfs/dbraw/zinc/09/42/66/273094266.db2.gz IGTFYSQZECEUNY-AOOOYVTPSA-N 0 0 345.321 2.778 10 5 EFBERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000270408114 273094276 /nfs/dbraw/zinc/09/42/76/273094276.db2.gz IGTFYSQZECEUNY-NXEZZACHSA-N 0 0 345.321 2.778 10 5 EFBERN CC(=O)c1ccc(Oc2nc(C(C)C)nc(N(C)C)n2)c([N+](=O)[O-])c1 ZINC000271145201 273101665 /nfs/dbraw/zinc/10/16/65/273101665.db2.gz ZAEWHFZUFMGFCT-UHFFFAOYSA-N 0 0 345.359 2.964 10 5 EFBERN C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000271700729 273106470 /nfs/dbraw/zinc/10/64/70/273106470.db2.gz HLBFCTKGURWHHI-YMRXKLBXSA-N 0 0 341.367 2.613 10 5 EFBERN CCOC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271740224 273107206 /nfs/dbraw/zinc/10/72/06/273107206.db2.gz IKYQEKBFYRYEAJ-STQMWFEESA-N 0 0 349.387 2.641 10 5 EFBERN COC(=O)c1cnc(N2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000277461799 273155771 /nfs/dbraw/zinc/15/57/71/273155771.db2.gz PDNZYXJSYMAWFS-MRVPVSSYSA-N 0 0 333.266 2.555 10 5 EFBERN CCC[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC ZINC000279045996 273170214 /nfs/dbraw/zinc/17/02/14/273170214.db2.gz AKARTMFLWIOTIT-SNVBAGLBSA-N 0 0 328.390 2.674 10 5 EFBERN Cc1ccc([C@H]2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)c(C)c1 ZINC000279405643 273211709 /nfs/dbraw/zinc/21/17/09/273211709.db2.gz HZBXCGXVGYGMPK-ZDUSSCGKSA-N 0 0 328.372 2.575 10 5 EFBERN C[C@@H](NC(=O)NCC1(CO)CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000279470179 273218909 /nfs/dbraw/zinc/21/89/09/273218909.db2.gz LVAOLAFVUKNLJM-CYBMUJFWSA-N 0 0 347.415 2.898 10 5 EFBERN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](C)c1cccnc1 ZINC000279526136 273224455 /nfs/dbraw/zinc/22/44/55/273224455.db2.gz VPEIPQXYHCAOGF-JTQLQIEISA-N 0 0 332.335 2.934 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCn2nccc21 ZINC000279884264 273264748 /nfs/dbraw/zinc/26/47/48/273264748.db2.gz RYQPAESGZFOGFT-UHFFFAOYSA-N 0 0 338.726 2.563 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000279964896 273275218 /nfs/dbraw/zinc/27/52/18/273275218.db2.gz MWVNMUZZKYUAKJ-AAEUAGOBSA-N 0 0 332.335 2.534 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280071290 273287509 /nfs/dbraw/zinc/28/75/09/273287509.db2.gz ZCIUKVVQEDJPEW-GOEBONIOSA-N 0 0 335.404 2.896 10 5 EFBERN CC(C)c1nn(C)cc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000280189894 273300291 /nfs/dbraw/zinc/30/02/91/273300291.db2.gz CYGRZYGNSIJLIN-NSHDSACASA-N 0 0 331.376 2.891 10 5 EFBERN 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COC(=O)/C=C/c1ccc(NCc2ncnn2C(C)C)c([N+](=O)[O-])c1 ZINC000281056836 273396164 /nfs/dbraw/zinc/39/61/64/273396164.db2.gz YDVLOUSXBQSBDU-FNORWQNLSA-N 0 0 345.359 2.566 10 5 EFBERN CO[C@H](C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000281640874 273455257 /nfs/dbraw/zinc/45/52/57/273455257.db2.gz VNZPOVWEKJVMMY-NHYWBVRUSA-N 0 0 333.344 2.629 10 5 EFBERN Cc1cnc(CCN(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000281738317 273464793 /nfs/dbraw/zinc/46/47/93/273464793.db2.gz RLKOZINEZXOUGB-UHFFFAOYSA-N 0 0 349.412 2.748 10 5 EFBERN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)n1cc(C)c([N+](=O)[O-])n1 ZINC000282142264 273519727 /nfs/dbraw/zinc/51/97/27/273519727.db2.gz AZNSZIYUNABTGO-VXGBXAGGSA-N 0 0 332.360 2.547 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000282649143 273594348 /nfs/dbraw/zinc/59/43/48/273594348.db2.gz APNWDMQQTWHEBM-SSDOTTSWSA-N 0 0 335.257 2.731 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000282687806 273600606 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COC(=O)c1cc(C)nc(NCc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000285488574 274010015 /nfs/dbraw/zinc/01/00/15/274010015.db2.gz DLAIBNNBICZIIE-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CC=C(c2ccnn2C)CC1 ZINC000285529723 274018937 /nfs/dbraw/zinc/01/89/37/274018937.db2.gz HGIPXYDEUSFCHH-UHFFFAOYSA-N 0 0 328.372 2.626 10 5 EFBERN O=C(CCN1CCC[C@H]1c1cc[nH]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000285575832 274029010 /nfs/dbraw/zinc/02/90/10/274029010.db2.gz ARFATBFHBSXKGV-HNNXBMFYSA-N 0 0 347.350 2.623 10 5 EFBERN CO[C@@H](C)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000182045979 274056528 /nfs/dbraw/zinc/05/65/28/274056528.db2.gz UNIAYWUDNYPVCE-NSHDSACASA-N 0 0 347.337 2.771 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000285756382 274067934 /nfs/dbraw/zinc/06/79/34/274067934.db2.gz VCNPAJSEQRTMTH-UHFFFAOYSA-N 0 0 327.340 2.648 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1[C@H]1CCCO1 ZINC000285787509 274074994 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C[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000342302876 274510919 /nfs/dbraw/zinc/51/09/19/274510919.db2.gz OMOFNPLMYGNEEU-JTQLQIEISA-N 0 0 334.763 2.933 10 5 EFBERN CO[C@H](C)c1noc(CN(C)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000288180022 274542614 /nfs/dbraw/zinc/54/26/14/274542614.db2.gz BMXRDYGVEIQZMT-MRVPVSSYSA-N 0 0 326.740 2.975 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H](OC)C(C)(C)C)c1[N+](=O)[O-] ZINC000288200910 274546949 /nfs/dbraw/zinc/54/69/49/274546949.db2.gz COEPWMAOUZFECT-LLVKDONJSA-N 0 0 325.365 2.558 10 5 EFBERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288519597 274610643 /nfs/dbraw/zinc/61/06/43/274610643.db2.gz REMZKQSZJAZLOS-CPTIBSQESA-N 0 0 341.367 2.572 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000288640565 274634820 /nfs/dbraw/zinc/63/48/20/274634820.db2.gz QFKDSPPBTIYZJQ-LLVKDONJSA-N 0 0 345.321 2.660 10 5 EFBERN CN(CC1CC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289113482 274708393 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C[C@@H]1COCC[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000435819539 288351728 /nfs/dbraw/zinc/35/17/28/288351728.db2.gz SQHLTJJWVJHTLM-WPGHFRTFSA-N 0 0 336.413 2.841 10 5 EFBERN COc1ccc2c(c1)CCN2S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000058494738 292668545 /nfs/dbraw/zinc/66/85/45/292668545.db2.gz CRIKPOQFSKUCKS-UHFFFAOYSA-N 0 0 348.380 2.663 10 5 EFBERN CC(=O)NCc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000067055593 292692937 /nfs/dbraw/zinc/69/29/37/292692937.db2.gz XSDDHTHZFBDGDF-SNVBAGLBSA-N 0 0 347.396 2.783 10 5 EFBERN C[C@@]1(F)CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451597963 289182034 /nfs/dbraw/zinc/18/20/34/289182034.db2.gz JIWMHACVYVJBQC-GFCCVEGCSA-N 0 0 336.772 2.761 10 5 EFBERN C[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1ccccc1[N+](=O)[O-] ZINC000341305635 289919003 /nfs/dbraw/zinc/91/90/03/289919003.db2.gz CUCVIKWUBLOQQX-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCc2ccccc2)C1=O ZINC000078960903 292781443 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C[C@@H](COc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000126180942 293030961 /nfs/dbraw/zinc/03/09/61/293030961.db2.gz SFGLRLKYGTXBTR-AWEZNQCLSA-N 0 0 328.368 2.969 10 5 EFBERN CCc1cc(C)c(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000126562185 293042902 /nfs/dbraw/zinc/04/29/02/293042902.db2.gz ZYLXEKVPYWVNCC-LBPRGKRZSA-N 0 0 344.371 2.780 10 5 EFBERN CCc1noc(C)c1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126950870 293054573 /nfs/dbraw/zinc/05/45/73/293054573.db2.gz AVTVZLWIXHFOSZ-UHFFFAOYSA-N 0 0 342.311 2.547 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2nnc(-c3ccc(Cl)cc3)o2)c1=O ZINC000127189156 293061818 /nfs/dbraw/zinc/06/18/18/293061818.db2.gz UOFZGMODBZVKNW-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2nc3ccccc3n2C(F)F)c1=O ZINC000127246330 293063205 /nfs/dbraw/zinc/06/32/05/293063205.db2.gz FWHSPZHBRNPZDQ-UHFFFAOYSA-N 0 0 334.282 2.858 10 5 EFBERN CCOc1cccc(CCNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000127286362 293064720 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COc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000131521890 293199557 /nfs/dbraw/zinc/19/95/57/293199557.db2.gz VTTVWSYYPZLRFP-UHFFFAOYSA-N 0 0 330.340 2.607 10 5 EFBERN COC[C@H]1CCN(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000337949752 293211743 /nfs/dbraw/zinc/21/17/43/293211743.db2.gz OEAWYMQAWKWEII-HNNXBMFYSA-N 0 0 335.404 2.894 10 5 EFBERN O=C(NCc1ccc(O)c(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000132746244 293236750 /nfs/dbraw/zinc/23/67/50/293236750.db2.gz FFJSKCWEAMAMFA-UHFFFAOYSA-N 0 0 329.287 2.851 10 5 EFBERN Cc1c(CC(=O)NCCC[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000133751306 293267294 /nfs/dbraw/zinc/26/72/94/293267294.db2.gz TWRKDTJGIFQKCH-WMLDXEAASA-N 0 0 334.416 2.893 10 5 EFBERN CNC(=O)Cc1nc(CNc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000134108820 293278068 /nfs/dbraw/zinc/27/80/68/293278068.db2.gz CMIOMNKRPYFGME-UHFFFAOYSA-N 0 0 334.401 2.569 10 5 EFBERN COc1ccc(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000134401723 293288826 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C[C@@H](C(=O)NCc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153090049 293360113 /nfs/dbraw/zinc/36/01/13/293360113.db2.gz WDHOGJNYCYRRPA-AWEZNQCLSA-N 0 0 339.395 2.658 10 5 EFBERN Cc1sc(C(=O)NCCOc2ncccc2Cl)cc1[N+](=O)[O-] ZINC000153130130 293362206 /nfs/dbraw/zinc/36/22/06/293362206.db2.gz WCHJDLNYXLZABO-UHFFFAOYSA-N 0 0 341.776 2.822 10 5 EFBERN COc1cccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153284421 293369318 /nfs/dbraw/zinc/36/93/18/293369318.db2.gz CGRBXRDQXZDUPX-UHFFFAOYSA-N 0 0 341.367 2.600 10 5 EFBERN CN(C)C(=O)c1cccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153331645 293370854 /nfs/dbraw/zinc/37/08/54/293370854.db2.gz NFFDOSUVEDZVQW-UHFFFAOYSA-N 0 0 339.395 2.855 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000153602492 293384031 /nfs/dbraw/zinc/38/40/31/293384031.db2.gz WDVCBVWEDQKSPE-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000153853070 293397260 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COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000291219590 294314767 /nfs/dbraw/zinc/31/47/67/294314767.db2.gz SBOPGSMGZVEJET-LLVKDONJSA-N 0 0 347.293 2.569 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nnc(C)s1 ZINC000291405210 294372254 /nfs/dbraw/zinc/37/22/54/294372254.db2.gz JBPKDUXXGHSFFI-KTKRTIGZSA-N 0 0 332.385 2.517 10 5 EFBERN Cn1cccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1=O ZINC000349142887 294373924 /nfs/dbraw/zinc/37/39/24/294373924.db2.gz AJSAYEGDQRSTFR-UHFFFAOYSA-N 0 0 341.245 2.565 10 5 EFBERN CC(C)C(=O)NC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291652326 294442982 /nfs/dbraw/zinc/44/29/82/294442982.db2.gz NVZOYJIRYUXYGE-UHFFFAOYSA-N 0 0 342.399 2.884 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@H](Cn2ccnn2)C1 ZINC000291767846 294477347 /nfs/dbraw/zinc/47/73/47/294477347.db2.gz BNWHQKPVNHPRGB-ZDUSSCGKSA-N 0 0 338.371 2.651 10 5 EFBERN CCNC(=O)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC1 ZINC000291876984 294509905 /nfs/dbraw/zinc/50/99/05/294509905.db2.gz IRPNBIUSWMXASJ-UHFFFAOYSA-N 0 0 328.372 2.861 10 5 EFBERN CN(C)c1ncc(CNc2c3ccccc3ncc2[N+](=O)[O-])n1C ZINC000291925391 294524288 /nfs/dbraw/zinc/52/42/88/294524288.db2.gz LUCTZLSMKPYAQI-UHFFFAOYSA-N 0 0 326.360 2.555 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCCN(CC(F)F)CC1 ZINC000292011620 294551284 /nfs/dbraw/zinc/55/12/84/294551284.db2.gz SCBVRISTGGZEQI-UHFFFAOYSA-N 0 0 336.342 2.920 10 5 EFBERN COC(=O)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCOCC1 ZINC000292017363 294552921 /nfs/dbraw/zinc/55/29/21/294552921.db2.gz SLYKQKPDOGNVQW-UHFFFAOYSA-N 0 0 345.355 2.525 10 5 EFBERN C[C@@H](Nc1cn(C)nc1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292022319 294554829 /nfs/dbraw/zinc/55/48/29/294554829.db2.gz WSKIGBFKJQHQPI-SNVBAGLBSA-N 0 0 329.360 2.645 10 5 EFBERN CC[C@@H](NC(=O)c1nnn(C(C)C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000292627189 294740767 /nfs/dbraw/zinc/74/07/67/294740767.db2.gz YKWNSFAALJBKSE-CQSZACIVSA-N 0 0 331.376 2.957 10 5 EFBERN CC[C@H](NC(=O)c1nnn(C(C)C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000292627184 294741007 /nfs/dbraw/zinc/74/10/07/294741007.db2.gz YKWNSFAALJBKSE-AWEZNQCLSA-N 0 0 331.376 2.957 10 5 EFBERN CCc1ccc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)cc1 ZINC000292652657 294748471 /nfs/dbraw/zinc/74/84/71/294748471.db2.gz GTCGJWIXWCHGQL-AWEZNQCLSA-N 0 0 340.383 2.645 10 5 EFBERN CC(C)N(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000292951385 294834672 /nfs/dbraw/zinc/83/46/72/294834672.db2.gz VILYTDJHWFGYSJ-INIZCTEOSA-N 0 0 335.404 2.813 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000293532660 294992685 /nfs/dbraw/zinc/99/26/85/294992685.db2.gz ACSKCKBMLGXVBK-DZGCQCFKSA-N 0 0 339.342 2.778 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1F ZINC000370030318 294995452 /nfs/dbraw/zinc/99/54/52/294995452.db2.gz JVIABCNJRNVFTC-XMZIXOGTSA-N 0 0 340.351 2.515 10 5 EFBERN O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1[nH]ncc1[N+](=O)[O-] ZINC000293688222 295027956 /nfs/dbraw/zinc/02/79/56/295027956.db2.gz MBUPZPCOVSVXHX-SSDOTTSWSA-N 0 0 326.765 2.840 10 5 EFBERN Cc1nc(SCCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000293904671 295075517 /nfs/dbraw/zinc/07/55/17/295075517.db2.gz HONKGWXYDZCOQQ-UHFFFAOYSA-N 0 0 349.416 2.555 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000293962517 295088663 /nfs/dbraw/zinc/08/86/63/295088663.db2.gz JNPLIXPDEIANHH-ISVAXAHUSA-N 0 0 328.319 2.559 10 5 EFBERN CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000294082456 295108240 /nfs/dbraw/zinc/10/82/40/295108240.db2.gz ILXMAQSQLPNUFY-UWVGGRQHSA-N 0 0 335.364 2.508 10 5 EFBERN Cc1sc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294097764 295110334 /nfs/dbraw/zinc/11/03/34/295110334.db2.gz JKYVOFKXYPNVQT-CQSZACIVSA-N 0 0 336.413 2.996 10 5 EFBERN C[C@@]12CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(F)F ZINC000294488538 295175089 /nfs/dbraw/zinc/17/50/89/295175089.db2.gz ALLZCYJMLLMUOJ-SMDDNHRTSA-N 0 0 336.298 2.588 10 5 EFBERN CC(C)(CCC(=O)NCc1ccc(N2CCCCC2=O)cc1)[N+](=O)[O-] ZINC000294530026 295181358 /nfs/dbraw/zinc/18/13/58/295181358.db2.gz MBWYUUOUDHACDG-UHFFFAOYSA-N 0 0 347.415 2.655 10 5 EFBERN C[C@@H](O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294542010 295183623 /nfs/dbraw/zinc/18/36/23/295183623.db2.gz AQRUDMNWMJOYQX-SECBINFHSA-N 0 0 346.305 2.847 10 5 EFBERN Cc1nc(C(F)(F)F)c(Cn2c(C)c([N+](=O)[O-])ccc2=O)s1 ZINC000294547261 295184247 /nfs/dbraw/zinc/18/42/47/295184247.db2.gz WIFKNCGMIGNJMQ-UHFFFAOYSA-N 0 0 333.291 2.897 10 5 EFBERN CCOC(=O)C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000294622113 295195884 /nfs/dbraw/zinc/19/58/84/295195884.db2.gz FIIYHPBKPSZUGH-AWEZNQCLSA-N 0 0 336.388 2.633 10 5 EFBERN COc1ccccc1N1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294723570 295214905 /nfs/dbraw/zinc/21/49/05/295214905.db2.gz MSWCETNXNUVCCL-UHFFFAOYSA-N 0 0 349.431 2.616 10 5 EFBERN O=[N+]([O-])c1c(N2CCC3(CCC(O)CC3)CC2)nc2sccn21 ZINC000294874159 295239638 /nfs/dbraw/zinc/23/96/38/295239638.db2.gz FHEWLLAGRMFUMT-UHFFFAOYSA-N 0 0 336.417 2.826 10 5 EFBERN CCn1ccnc1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000294915318 295245238 /nfs/dbraw/zinc/24/52/38/295245238.db2.gz GBGPLXVFFIXSAB-UHFFFAOYSA-N 0 0 331.376 2.562 10 5 EFBERN CCc1nnc(CNc2cc(Br)ccc2[N+](=O)[O-])[nH]1 ZINC000294997479 295255921 /nfs/dbraw/zinc/25/59/21/295255921.db2.gz RIJYXCNBUSXADU-UHFFFAOYSA-N 0 0 326.154 2.650 10 5 EFBERN Cc1cc(N2CCC[C@H](O)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295010242 295257253 /nfs/dbraw/zinc/25/72/53/295257253.db2.gz PDFBZXUMICRUEU-WFASDCNBSA-N 0 0 328.372 2.710 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2OC)cc([N+](=O)[O-])c1 ZINC000295033563 295259892 /nfs/dbraw/zinc/25/98/92/295259892.db2.gz OTVCZWRDXFQITJ-ZIAGYGMSSA-N 0 0 336.344 2.525 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1nnc(C2CCC2)[nH]1 ZINC000295033862 295260024 /nfs/dbraw/zinc/26/00/24/295260024.db2.gz VZDCWNDQBGXJFM-UHFFFAOYSA-N 0 0 343.343 2.582 10 5 EFBERN CC[C@@H](C)[C@@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])OC ZINC000295051687 295261914 /nfs/dbraw/zinc/26/19/14/295261914.db2.gz XSURSHMKGSDPQM-BXKDBHETSA-N 0 0 325.365 2.558 10 5 EFBERN CC[C@H](C)[C@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])OC ZINC000295051690 295262039 /nfs/dbraw/zinc/26/20/39/295262039.db2.gz XSURSHMKGSDPQM-CABZTGNLSA-N 0 0 325.365 2.558 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCN1CCCC1=O ZINC000295151463 295275081 /nfs/dbraw/zinc/27/50/81/295275081.db2.gz CDOOLQFLOBGEBA-UHFFFAOYSA-N 0 0 344.371 2.576 10 5 EFBERN O=C(CCC(=O)N1CCC[C@@H]1c1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000295153858 295275571 /nfs/dbraw/zinc/27/55/71/295275571.db2.gz DMPAPBZOEHNFLK-OAHLLOKOSA-N 0 0 342.355 2.645 10 5 EFBERN Cc1nn(CCCCCCn2cc([N+](=O)[O-])c(C)n2)cc1[N+](=O)[O-] ZINC000295325052 295300942 /nfs/dbraw/zinc/30/09/42/295300942.db2.gz LZOMHXGXQPBWBX-UHFFFAOYSA-N 0 0 336.352 2.773 10 5 EFBERN COc1cccc(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000373733356 295306698 /nfs/dbraw/zinc/30/66/98/295306698.db2.gz YASJQWZLRAEOLM-IIYDPXPESA-N 0 0 336.388 2.766 10 5 EFBERN C[C@H]1C[C@H](S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000295362220 295307043 /nfs/dbraw/zinc/30/70/43/295307043.db2.gz JJCIORKRULDBNM-WCBMZHEXSA-N 0 0 335.765 2.524 10 5 EFBERN COCCCn1cc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000295372574 295308704 /nfs/dbraw/zinc/30/87/04/295308704.db2.gz DDJKIESRZWUUKZ-UHFFFAOYSA-N 0 0 338.389 2.758 10 5 EFBERN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1F ZINC000295381801 295310748 /nfs/dbraw/zinc/31/07/48/295310748.db2.gz KMKBGDKOCDZFOL-QMMMGPOBSA-N 0 0 339.291 2.878 10 5 EFBERN Cc1nn([C@H](C(=O)NCc2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000295398057 295313171 /nfs/dbraw/zinc/31/31/71/295313171.db2.gz RNBJCZGCGICMOH-HNNXBMFYSA-N 0 0 334.351 2.752 10 5 EFBERN C[C@@]1(F)CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000295410137 295315110 /nfs/dbraw/zinc/31/51/10/295315110.db2.gz BXEFFZUGZOLJOZ-MRXNPFEDSA-N 0 0 333.319 2.813 10 5 EFBERN O=Cc1ccc(OS(=O)(=O)C[C@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000295424297 295318005 /nfs/dbraw/zinc/31/80/05/295318005.db2.gz YMLOIOWPJBRFIH-SNVBAGLBSA-N 0 0 349.311 2.551 10 5 EFBERN C[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000295439464 295320579 /nfs/dbraw/zinc/32/05/79/295320579.db2.gz VPVFFFGDZHJSBM-NSHDSACASA-N 0 0 342.355 2.665 10 5 EFBERN CC(C)N(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1COC1 ZINC000295533760 295336495 /nfs/dbraw/zinc/33/64/95/295336495.db2.gz BWXDJATUDLVOJO-UHFFFAOYSA-N 0 0 343.177 2.607 10 5 EFBERN CCc1nnc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]1 ZINC000295594826 295346469 /nfs/dbraw/zinc/34/64/69/295346469.db2.gz CJICTKVTLOEPEE-UHFFFAOYSA-N 0 0 327.344 2.825 10 5 EFBERN C[C@@]1(F)CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000295597532 295346648 /nfs/dbraw/zinc/34/66/48/295346648.db2.gz OTZHKBNABYYPQS-MRXNPFEDSA-N 0 0 332.335 2.745 10 5 EFBERN CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](O)C(F)F ZINC000295616290 295350119 /nfs/dbraw/zinc/35/01/19/295350119.db2.gz ZFYXABFWAMLORK-CABZTGNLSA-N 0 0 344.339 2.944 10 5 EFBERN CCOC(=O)c1csc(N(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000295665241 295357332 /nfs/dbraw/zinc/35/73/32/295357332.db2.gz IQXDGBBQUSNQLN-UHFFFAOYSA-N 0 0 335.385 2.907 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295738391 295368545 /nfs/dbraw/zinc/36/85/45/295368545.db2.gz POAVIZZFLVABLV-QMMMGPOBSA-N 0 0 339.291 2.878 10 5 EFBERN CC1(C)OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295873683 295389937 /nfs/dbraw/zinc/38/99/37/295389937.db2.gz LRBFKBLNJSQGGT-NSHDSACASA-N 0 0 343.177 2.655 10 5 EFBERN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000295899153 295393358 /nfs/dbraw/zinc/39/33/58/295393358.db2.gz ZCYKATLHCNMIBJ-MRXNPFEDSA-N 0 0 328.368 2.891 10 5 EFBERN Cc1cccnc1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000296360965 295464052 /nfs/dbraw/zinc/46/40/52/295464052.db2.gz FVRZQEOYBJBWFW-UHFFFAOYSA-N 0 0 335.310 2.749 10 5 EFBERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079527885 297147501 /nfs/dbraw/zinc/14/75/01/297147501.db2.gz IWOWNUPKLKQRFK-RKDXNWHRSA-N 0 0 343.177 2.607 10 5 EFBERN C[C@@H]1C[C@]2(CCO1)CN(c1ncc(Cl)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000362373363 297495743 /nfs/dbraw/zinc/49/57/43/297495743.db2.gz JTZQCEJAZOTQRF-JRPNMDOOSA-N 0 0 341.795 2.806 10 5 EFBERN C[C@H](C(=O)N1CCOC[C@H]1CC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000343410944 298061372 /nfs/dbraw/zinc/06/13/72/298061372.db2.gz JSRCOCGWTJXSGG-GXSJLCMTSA-N 0 0 346.305 2.720 10 5 EFBERN C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000263440033 298919347 /nfs/dbraw/zinc/91/93/47/298919347.db2.gz WBAAANDXWSWALB-CZUORRHYSA-N 0 0 328.368 2.811 10 5 EFBERN C[C@H]1OCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@H]1C ZINC000448187924 300594786 /nfs/dbraw/zinc/59/47/86/300594786.db2.gz HKOIQNSLKXGUIX-DTWKUNHWSA-N 0 0 332.278 2.863 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(F)(F)F)[C@H](C)C2)n1 ZINC000359102542 301203926 /nfs/dbraw/zinc/20/39/26/301203926.db2.gz SEBXBLYOGPACJR-LLVKDONJSA-N 0 0 332.326 2.679 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@H](CO)C2)n1 ZINC000343283448 301204950 /nfs/dbraw/zinc/20/49/50/301204950.db2.gz JTMGDPUTIFRJCQ-QWRGUYRKSA-N 0 0 333.310 2.604 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc2n(n1)CCCC2 ZINC000457116672 301287505 /nfs/dbraw/zinc/28/75/05/301287505.db2.gz DEDJHBAURYLPIN-UHFFFAOYSA-N 0 0 335.751 2.737 10 5 EFBERN Cc1nn(C)c(N2CCC[C@@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000369973002 302786070 /nfs/dbraw/zinc/78/60/70/302786070.db2.gz JNUVOIADHAEXOI-KRWDZBQOSA-N 0 0 328.372 2.663 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1C[C@H]2CCCC[C@H]21 ZINC000377350243 304800946 /nfs/dbraw/zinc/80/09/46/304800946.db2.gz KBWBPUAXAGUCHZ-MWLCHTKSSA-N 0 0 346.355 2.970 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]([C@@H]4CCOC4)C3)c21 ZINC000347415869 304806969 /nfs/dbraw/zinc/80/69/69/304806969.db2.gz OORPOIFFNZUYFL-QWHCGFSZSA-N 0 0 328.372 2.791 10 5 EFBERN CCS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000134531865 310642686 /nfs/dbraw/zinc/64/26/86/310642686.db2.gz IPZNPQKTELBNJO-UHFFFAOYSA-N 0 0 334.353 2.641 10 5 EFBERN Nc1c(C(=O)NCc2ccn(C3CCCC3)n2)cc(F)cc1[N+](=O)[O-] ZINC000134964497 310648808 /nfs/dbraw/zinc/64/88/08/310648808.db2.gz FIIBUBPVJHOKTR-UHFFFAOYSA-N 0 0 347.350 2.558 10 5 EFBERN CCCc1ccc(-c2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000136738503 310665695 /nfs/dbraw/zinc/66/56/95/310665695.db2.gz LHGMRSCFECBJIY-UHFFFAOYSA-N 0 0 340.343 2.913 10 5 EFBERN CC(C)(C)OC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000150951735 310677629 /nfs/dbraw/zinc/67/76/29/310677629.db2.gz JLTGXHZAKXEFME-UHFFFAOYSA-N 0 0 348.446 2.625 10 5 EFBERN Cc1ccn(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000159737083 310690779 /nfs/dbraw/zinc/69/07/79/310690779.db2.gz ZEIAUGJEEONMMB-UHFFFAOYSA-N 0 0 326.312 2.612 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCCc3ccccc3O)cc2N1 ZINC000170639771 310735463 /nfs/dbraw/zinc/73/54/63/310735463.db2.gz GGJPSNGVENLMRE-UHFFFAOYSA-N 0 0 327.340 2.840 10 5 EFBERN CC[C@@H]1CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000292010777 310812878 /nfs/dbraw/zinc/81/28/78/310812878.db2.gz VWPKCGFMEVPKHO-MRVPVSSYSA-N 0 0 349.206 2.530 10 5 EFBERN Cc1cccnc1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296416920 310817084 /nfs/dbraw/zinc/81/70/84/310817084.db2.gz SCAAOAVIQPLSNB-ZDUSSCGKSA-N 0 0 328.372 2.901 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H]1C ZINC000297277982 310875200 /nfs/dbraw/zinc/87/52/00/310875200.db2.gz ZTZXULSSKNXLDX-RNFRBKRXSA-N 0 0 339.200 2.931 10 5 EFBERN Cc1ccc([C@H]2COCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000297657490 310918956 /nfs/dbraw/zinc/91/89/56/310918956.db2.gz YXKDONIZNQOLDQ-CQSZACIVSA-N 0 0 328.328 2.950 10 5 EFBERN CC1(C)OCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000297793421 310930776 /nfs/dbraw/zinc/93/07/76/310930776.db2.gz RPCNEDSVQUIEAQ-NSHDSACASA-N 0 0 343.177 2.655 10 5 EFBERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297932960 310941580 /nfs/dbraw/zinc/94/15/80/310941580.db2.gz VDGSVBCLKAJBGF-UWVGGRQHSA-N 0 0 345.321 2.778 10 5 EFBERN CCc1noc(C)c1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000297947441 310942871 /nfs/dbraw/zinc/94/28/71/310942871.db2.gz UPVMDZAVNIJVGI-UHFFFAOYSA-N 0 0 325.271 2.662 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000298089645 310956156 /nfs/dbraw/zinc/95/61/56/310956156.db2.gz XKCCEGBQEVFTRF-YNEHKIRRSA-N 0 0 345.346 2.750 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2ccccc2C1 ZINC000298271445 310973939 /nfs/dbraw/zinc/97/39/39/310973939.db2.gz DADIZFFVQFITSJ-OAHLLOKOSA-N 0 0 326.352 2.647 10 5 EFBERN CC(F)(F)CCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000298293506 310975741 /nfs/dbraw/zinc/97/57/41/310975741.db2.gz NBZUXPOZWMKXMU-UHFFFAOYSA-N 0 0 341.318 2.706 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000298409422 310986811 /nfs/dbraw/zinc/98/68/11/310986811.db2.gz IERCVCXWFVSLQW-JGVFFNPUSA-N 0 0 332.282 2.622 10 5 EFBERN CC[C@@H](N[C@H](C(=O)OC)C1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000298594363 311006540 /nfs/dbraw/zinc/00/65/40/311006540.db2.gz YQLABHCELZIPGC-HUUCEWRRSA-N 0 0 336.388 2.746 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCC[C@H](CO)C1 ZINC000298616572 311008121 /nfs/dbraw/zinc/00/81/21/311008121.db2.gz OTBQIUQZJOTQKW-WPRPVWTQSA-N 0 0 330.182 2.715 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCSCC1 ZINC000299124668 311053544 /nfs/dbraw/zinc/05/35/44/311053544.db2.gz ASXLXLFWKGHMHT-UHFFFAOYSA-N 0 0 335.429 2.774 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@](C)(F)C1 ZINC000299239824 311064306 /nfs/dbraw/zinc/06/43/06/311064306.db2.gz JAPGZBSHDZDQAT-MRXNPFEDSA-N 0 0 337.351 2.501 10 5 EFBERN CCc1ccc2nc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)sc2c1 ZINC000299333535 311073459 /nfs/dbraw/zinc/07/34/59/311073459.db2.gz JERPFYXILBYCBH-UHFFFAOYSA-N 0 0 345.384 2.911 10 5 EFBERN C[C@]1(F)CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000299379095 311078645 /nfs/dbraw/zinc/07/86/45/311078645.db2.gz QSKJODPFHRAKGO-AWEZNQCLSA-N 0 0 343.742 2.537 10 5 EFBERN CSCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000299645547 311106647 /nfs/dbraw/zinc/10/66/47/311106647.db2.gz LBDBWDKCEFCWKO-UHFFFAOYSA-N 0 0 345.218 2.605 10 5 EFBERN C[C@H](Sc1nnnn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000299657661 311108044 /nfs/dbraw/zinc/10/80/44/311108044.db2.gz PUVXRLQJDIFYGU-ZETCQYMHSA-N 0 0 333.295 2.997 10 5 EFBERN Cc1cccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000301057267 311116350 /nfs/dbraw/zinc/11/63/50/311116350.db2.gz AMHBSUPTTRGEAV-UHFFFAOYSA-N 0 0 328.372 2.787 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](c1ccccc1)c1ccccn1 ZINC000301076704 311117599 /nfs/dbraw/zinc/11/75/99/311117599.db2.gz HGGAQKDWEZKOKR-MRXNPFEDSA-N 0 0 349.350 2.685 10 5 EFBERN C[C@@H]1Cc2ccccc2N1CCNc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301093337 311118558 /nfs/dbraw/zinc/11/85/58/311118558.db2.gz LTQVKYZLLQAKCT-GFCCVEGCSA-N 0 0 340.383 2.557 10 5 EFBERN Cc1nn(C)c(N2CCCN(c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000301101366 311118962 /nfs/dbraw/zinc/11/89/62/311118962.db2.gz QRXHSEDQUAIGMB-UHFFFAOYSA-N 0 0 329.404 2.662 10 5 EFBERN CC(C)COC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301125575 311120509 /nfs/dbraw/zinc/12/05/09/311120509.db2.gz VNZRLZSEABAQGB-UHFFFAOYSA-N 0 0 346.387 2.885 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1(c2ccc(F)cc2)CCC1 ZINC000301133355 311120973 /nfs/dbraw/zinc/12/09/73/311120973.db2.gz VHKVFQFKQWUNHY-UHFFFAOYSA-N 0 0 344.346 2.762 10 5 EFBERN O=[N+]([O-])c1c(N[C@H]2CCN(c3ccccc3)C2)nc2sccn21 ZINC000301184694 311123299 /nfs/dbraw/zinc/12/32/99/311123299.db2.gz JJELKONGXCBGGA-NSHDSACASA-N 0 0 329.385 2.995 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000301186365 311123469 /nfs/dbraw/zinc/12/34/69/311123469.db2.gz KBUMFGFNAVOBCJ-ZDUSSCGKSA-N 0 0 334.420 2.675 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2cccnc2-n2cccn2)c(Cl)c1 ZINC000301248327 311126841 /nfs/dbraw/zinc/12/68/41/311126841.db2.gz AAHTUOIILNKLBW-UHFFFAOYSA-N 0 0 330.735 2.836 10 5 EFBERN CCN(CC(C)(C)O)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301263645 311127901 /nfs/dbraw/zinc/12/79/01/311127901.db2.gz HQGLFEDQTXMWPY-UHFFFAOYSA-N 0 0 330.388 2.957 10 5 EFBERN C[C@H](Cc1cccc(F)c1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301265998 311128063 /nfs/dbraw/zinc/12/80/63/311128063.db2.gz FKPZPLUHIGUOPK-LLVKDONJSA-N 0 0 342.330 2.785 10 5 EFBERN CCS[C@@H]1CCCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301273435 311128491 /nfs/dbraw/zinc/12/84/91/311128491.db2.gz YDLKCVBPONOBAH-GFCCVEGCSA-N 0 0 348.428 2.715 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(N2CCCSCC2)c([N+](=O)[O-])c1 ZINC000301278679 311128706 /nfs/dbraw/zinc/12/87/06/311128706.db2.gz SMYOKZMRAVDLPJ-UHFFFAOYSA-N 0 0 346.412 2.503 10 5 EFBERN Cc1ccnc(N2CCC(c3nnc4ccccn43)CC2)c1[N+](=O)[O-] ZINC000301283894 311129198 /nfs/dbraw/zinc/12/91/98/311129198.db2.gz LFQKJBJGZMUUNM-UHFFFAOYSA-N 0 0 338.371 2.725 10 5 EFBERN CC(C)COC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301294061 311129486 /nfs/dbraw/zinc/12/94/86/311129486.db2.gz WKZBQCJXOTYVGC-UHFFFAOYSA-N 0 0 342.783 2.558 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000301402101 311135579 /nfs/dbraw/zinc/13/55/79/311135579.db2.gz CTHKGEVQYYLHLZ-UKRRQHHQSA-N 0 0 344.346 2.976 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000301402100 311135594 /nfs/dbraw/zinc/13/55/94/311135594.db2.gz CTHKGEVQYYLHLZ-HIFRSBDPSA-N 0 0 344.346 2.976 10 5 EFBERN CCOCc1ccc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000301430075 311137028 /nfs/dbraw/zinc/13/70/28/311137028.db2.gz ILXBGDPZERKMOZ-UHFFFAOYSA-N 0 0 340.339 2.883 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(CC(F)(F)F)cc1 ZINC000301436386 311137353 /nfs/dbraw/zinc/13/73/53/311137353.db2.gz SFKIOAMHNNSTFN-UHFFFAOYSA-N 0 0 340.261 2.937 10 5 EFBERN Cc1cc(N2CCN(Cc3nccn3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301443746 311137634 /nfs/dbraw/zinc/13/76/34/311137634.db2.gz OKQOBQSXSOOHPC-UHFFFAOYSA-N 0 0 349.822 2.612 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCC2(C(=O)N(C)C)CCCC2)c1 ZINC000301456711 311138336 /nfs/dbraw/zinc/13/83/36/311138336.db2.gz WYAQMHZILQBXTD-UHFFFAOYSA-N 0 0 339.367 2.803 10 5 EFBERN CCS[C@H]1CCC[C@@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301496684 311140670 /nfs/dbraw/zinc/14/06/70/311140670.db2.gz UEPWIJXUPDFAJF-QWRGUYRKSA-N 0 0 334.401 2.689 10 5 EFBERN C[C@@H](Cc1ccsc1)N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301497042 311140880 /nfs/dbraw/zinc/14/08/80/311140880.db2.gz UNBXAYHDRRAODZ-NSHDSACASA-N 0 0 344.396 2.732 10 5 EFBERN C[C@@H](Cc1cccs1)N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301497755 311140901 /nfs/dbraw/zinc/14/09/01/311140901.db2.gz VBDFTTSTCJPTRY-NSHDSACASA-N 0 0 344.396 2.732 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCc2cccnc2-n2cccn2)c1 ZINC000301561613 311144475 /nfs/dbraw/zinc/14/44/75/311144475.db2.gz XZZYMGYKYJRBKB-UHFFFAOYSA-N 0 0 343.318 2.935 10 5 EFBERN CN(Cc1nc(-c2cccnc2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000301585663 311146131 /nfs/dbraw/zinc/14/61/31/311146131.db2.gz OWANZHHNXUWVQP-UHFFFAOYSA-N 0 0 329.291 2.815 10 5 EFBERN CN(Cc1nc(-c2cccnc2)no1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301600359 311146917 /nfs/dbraw/zinc/14/69/17/311146917.db2.gz UZYTVILYHQAUCF-UHFFFAOYSA-N 0 0 329.291 2.815 10 5 EFBERN COc1cc(N[C@@H]2CCN(CC(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000301611186 311147655 /nfs/dbraw/zinc/14/76/55/311147655.db2.gz DKLJZSHLTHJXIR-MRVPVSSYSA-N 0 0 337.273 2.791 10 5 EFBERN COc1cc(N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000301620332 311148120 /nfs/dbraw/zinc/14/81/20/311148120.db2.gz CLKPZFCJEYHTDP-UWVGGRQHSA-N 0 0 346.380 2.510 10 5 EFBERN CCO[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C12CCC2 ZINC000301628613 311148595 /nfs/dbraw/zinc/14/85/95/311148595.db2.gz AOOZXIWOVIVBEA-CABCVRRESA-N 0 0 347.371 2.685 10 5 EFBERN CCOc1cc(N[C@H]2CCCn3nc(COC)nc32)ccc1[N+](=O)[O-] ZINC000301661705 311150607 /nfs/dbraw/zinc/15/06/07/311150607.db2.gz MUGZCOPCFNHEFL-LBPRGKRZSA-N 0 0 347.375 2.678 10 5 EFBERN Nc1nc(NC[C@H]2C[C@@]23CCCc2ccccc23)ncc1[N+](=O)[O-] ZINC000301669958 311151224 /nfs/dbraw/zinc/15/12/24/311151224.db2.gz YJHSTNIZBACWKC-PXAZEXFGSA-N 0 0 325.372 2.673 10 5 EFBERN CC(C)CC[C@@](C)(O)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301687257 311152212 /nfs/dbraw/zinc/15/22/12/311152212.db2.gz MEBUHBXABWPQMZ-MRXNPFEDSA-N 0 0 337.376 2.525 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 ZINC000301698278 311153042 /nfs/dbraw/zinc/15/30/42/311153042.db2.gz CDXPCDBERUSPNL-INIZCTEOSA-N 0 0 345.311 2.787 10 5 EFBERN CCC1(CC)[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1OC ZINC000301702522 311153242 /nfs/dbraw/zinc/15/32/42/311153242.db2.gz GWVCFWNVSCVDHR-HUUCEWRRSA-N 0 0 349.387 2.931 10 5 EFBERN CCC1(CC)[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1OC ZINC000301702520 311153444 /nfs/dbraw/zinc/15/34/44/311153444.db2.gz GWVCFWNVSCVDHR-GJZGRUSLSA-N 0 0 349.387 2.931 10 5 EFBERN COC(=O)c1cc(N2CCC(n3cccn3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301710155 311153949 /nfs/dbraw/zinc/15/39/49/311153949.db2.gz XKCZXPLALYTKKK-UHFFFAOYSA-N 0 0 344.371 2.728 10 5 EFBERN COC(=O)c1cc(NC[C@@H](O)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000301714066 311154111 /nfs/dbraw/zinc/15/41/11/311154111.db2.gz WIVNITUBCAIZSJ-MRXNPFEDSA-N 0 0 330.340 2.835 10 5 EFBERN Cc1ccc(OCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301715378 311154306 /nfs/dbraw/zinc/15/43/06/311154306.db2.gz ZZKJUTJXTMEUIQ-UHFFFAOYSA-N 0 0 343.339 2.725 10 5 EFBERN COC(=O)c1cc(N2CC[C@H]3OCCC[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000301741729 311155911 /nfs/dbraw/zinc/15/59/11/311155911.db2.gz YGBBUCATYRNPEQ-IUODEOHRSA-N 0 0 334.372 2.695 10 5 EFBERN O=C(NCCCNc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000301745313 311156140 /nfs/dbraw/zinc/15/61/40/311156140.db2.gz OBXWVNNSRDBISC-UHFFFAOYSA-N 0 0 334.763 2.875 10 5 EFBERN O=[N+]([O-])c1cc(F)c(N[C@H]2CCN(CC(F)(F)F)C2)c(F)c1 ZINC000301813383 311159764 /nfs/dbraw/zinc/15/97/64/311159764.db2.gz ZCVICKQFSHTSLW-ZETCQYMHSA-N 0 0 325.237 2.922 10 5 EFBERN CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000301813953 311159933 /nfs/dbraw/zinc/15/99/33/311159933.db2.gz FZAGWZZMQCOPEU-MRXNPFEDSA-N 0 0 331.347 2.845 10 5 EFBERN Cc1nc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c(C)s1 ZINC000301818333 311160259 /nfs/dbraw/zinc/16/02/59/311160259.db2.gz ACKYKEKOTDWTDK-UHFFFAOYSA-N 0 0 331.357 2.929 10 5 EFBERN O=C1CCC(=O)N1C1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301823442 311160676 /nfs/dbraw/zinc/16/06/76/311160676.db2.gz HSWNKDBKPWLDNS-UHFFFAOYSA-N 0 0 335.335 2.606 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCN(c4ccccc4)C3)nn21 ZINC000301841804 311161979 /nfs/dbraw/zinc/16/19/79/311161979.db2.gz PSWGCYAJMRSHNT-CYBMUJFWSA-N 0 0 338.371 2.576 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCN(c4ccccc4)C3)nn21 ZINC000301841805 311162004 /nfs/dbraw/zinc/16/20/04/311162004.db2.gz PSWGCYAJMRSHNT-ZDUSSCGKSA-N 0 0 338.371 2.576 10 5 EFBERN O=C1C[C@@H]([C@H]2CCCCN2c2ccc([N+](=O)[O-])c3cnccc32)CN1 ZINC000301864028 311163427 /nfs/dbraw/zinc/16/34/27/311163427.db2.gz CYNZUALOSONCOD-IUODEOHRSA-N 0 0 340.383 2.638 10 5 EFBERN COc1cc(NCCNC(=O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000301877209 311164341 /nfs/dbraw/zinc/16/43/41/311164341.db2.gz SRTIVBXRXBZNTD-UHFFFAOYSA-N 0 0 333.319 2.584 10 5 EFBERN Nc1nc(N2CCCC[C@H]2CCc2ccccc2)ncc1[N+](=O)[O-] ZINC000301880268 311164755 /nfs/dbraw/zinc/16/47/55/311164755.db2.gz PIDPONRDFAXXDI-AWEZNQCLSA-N 0 0 327.388 2.959 10 5 EFBERN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(-n2cccn2)c1 ZINC000301887712 311165009 /nfs/dbraw/zinc/16/50/09/311165009.db2.gz QZZAVGWMQRTVHF-GFCCVEGCSA-N 0 0 349.354 2.996 10 5 EFBERN COc1cc(N[C@H]2CCN(c3ccccc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000301932113 311167321 /nfs/dbraw/zinc/16/73/21/311167321.db2.gz PCYTWTOKANLCDQ-ZDUSSCGKSA-N 0 0 345.330 2.960 10 5 EFBERN COc1ccc(OC)c([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301935723 311167765 /nfs/dbraw/zinc/16/77/65/311167765.db2.gz RCKPYIYFPSPSGF-JTQLQIEISA-N 0 0 343.343 2.828 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCCN(CC(F)F)CC2)c1 ZINC000301940411 311167939 /nfs/dbraw/zinc/16/79/39/311167939.db2.gz UGMHEUWPOAYSHP-UHFFFAOYSA-N 0 0 333.310 2.520 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@@H](O)c3ccc4ccccc4c3)nn21 ZINC000301955147 311168423 /nfs/dbraw/zinc/16/84/23/311168423.db2.gz DYLXGTHBYRBGFC-OAHLLOKOSA-N 0 0 349.350 2.936 10 5 EFBERN NC(=O)C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301953265 311168504 /nfs/dbraw/zinc/16/85/04/311168504.db2.gz HTXJJYNWNCWWLO-VIFPVBQESA-N 0 0 331.294 2.848 10 5 EFBERN COc1cccc2c1CC[C@@H]2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301952323 311168621 /nfs/dbraw/zinc/16/86/21/311168621.db2.gz JKCALHZTOBYEJG-LBPRGKRZSA-N 0 0 325.328 2.746 10 5 EFBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccc(F)cc1 ZINC000301959316 311168767 /nfs/dbraw/zinc/16/87/67/311168767.db2.gz GWHWZSJSPGWMCQ-JTQLQIEISA-N 0 0 331.307 2.656 10 5 EFBERN Cc1cc(N2CC[C@H](C)[C@@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301959250 311168807 /nfs/dbraw/zinc/16/88/07/311168807.db2.gz OWTKZJFTIJTYOW-NHYWBVRUSA-N 0 0 328.372 2.567 10 5 EFBERN C[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000301957883 311168847 /nfs/dbraw/zinc/16/88/47/311168847.db2.gz NJPPBPVBDYBASA-RDDDGLTNSA-N 0 0 349.265 2.729 10 5 EFBERN C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301967853 311169344 /nfs/dbraw/zinc/16/93/44/311169344.db2.gz OZZVXPNSKDZTAY-WCQYABFASA-N 0 0 327.344 2.562 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCc4ccc(Cl)cc4C3)nn21 ZINC000301970135 311169402 /nfs/dbraw/zinc/16/94/02/311169402.db2.gz RAXHGJFXTKESFM-UHFFFAOYSA-N 0 0 329.747 2.854 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C12CCCC2 ZINC000301996259 311170938 /nfs/dbraw/zinc/17/09/38/311170938.db2.gz OMZUOTNOITUOKN-VXGBXAGGSA-N 0 0 331.376 2.787 10 5 EFBERN CCO[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C12CCCC2 ZINC000301996256 311171009 /nfs/dbraw/zinc/17/10/09/311171009.db2.gz OMZUOTNOITUOKN-NEPJUHHUSA-N 0 0 331.376 2.787 10 5 EFBERN COC(=O)c1cc(N2CCC[C@H](c3cc[nH]n3)C2)cc(C)c1[N+](=O)[O-] ZINC000302004443 311171216 /nfs/dbraw/zinc/17/12/16/311171216.db2.gz ZCJLGKUJLMDPKZ-LBPRGKRZSA-N 0 0 344.371 2.797 10 5 EFBERN Cc1ccccc1O[C@@H](C)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302004180 311171467 /nfs/dbraw/zinc/17/14/67/311171467.db2.gz RRKHHJPZISGLBP-LBPRGKRZSA-N 0 0 327.344 2.825 10 5 EFBERN C[C@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCc2ccccc21 ZINC000302006345 311171501 /nfs/dbraw/zinc/17/15/01/311171501.db2.gz VVBNYYRFWVFCPS-GOSISDBHSA-N 0 0 340.383 2.795 10 5 EFBERN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1F ZINC000302014300 311171959 /nfs/dbraw/zinc/17/19/59/311171959.db2.gz XMUMIRITBWNDQM-SNVBAGLBSA-N 0 0 331.307 2.656 10 5 EFBERN CCOc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1F ZINC000302012180 311172043 /nfs/dbraw/zinc/17/20/43/311172043.db2.gz WSAFIHHPSBCKGL-UHFFFAOYSA-N 0 0 331.307 2.787 10 5 EFBERN CN(CCc1ccc(Cl)cc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302018683 311172508 /nfs/dbraw/zinc/17/25/08/311172508.db2.gz ZRRPQMHCZPPQQK-UHFFFAOYSA-N 0 0 331.763 2.970 10 5 EFBERN C[C@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000302035064 311173790 /nfs/dbraw/zinc/17/37/90/311173790.db2.gz LOPQBJSGMFHHAC-INIZCTEOSA-N 0 0 338.310 2.685 10 5 EFBERN COC(=O)[C@H]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000302034721 311173795 /nfs/dbraw/zinc/17/37/95/311173795.db2.gz UDKNXNIBYYHMTH-LBPRGKRZSA-N 0 0 329.356 2.841 10 5 EFBERN CCOC(=O)c1ccnc(NCc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000302036759 311173802 /nfs/dbraw/zinc/17/38/02/311173802.db2.gz UXVWWRLVDCKAIH-UHFFFAOYSA-N 0 0 336.735 2.827 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000302051458 311174845 /nfs/dbraw/zinc/17/48/45/311174845.db2.gz OYMJPUSRWHYSLE-UHFFFAOYSA-N 0 0 330.319 2.757 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1COC2(CCCCCC2)O1 ZINC000302061638 311175451 /nfs/dbraw/zinc/17/54/51/311175451.db2.gz SFXMZEXCDNUSNA-CQSZACIVSA-N 0 0 336.388 2.965 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000302065198 311175913 /nfs/dbraw/zinc/17/59/13/311175913.db2.gz UEZJFDLOUBOQNH-UHFFFAOYSA-N 0 0 345.374 2.548 10 5 EFBERN COC(=O)[C@]12CCC[C@@H]1CN(c1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000302065413 311175986 /nfs/dbraw/zinc/17/59/86/311175986.db2.gz AQLRLYRBTLRCGE-HWPZZCPQSA-N 0 0 338.335 2.522 10 5 EFBERN Cc1ccccc1[C@@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])CCO1 ZINC000302067172 311176104 /nfs/dbraw/zinc/17/61/04/311176104.db2.gz UQINFVYVFSLOAN-SFHVURJKSA-N 0 0 328.368 2.973 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nnc3ccccn32)c(OC(F)F)c1 ZINC000302073397 311176381 /nfs/dbraw/zinc/17/63/81/311176381.db2.gz ZYFPTMRVTVUXSK-UHFFFAOYSA-N 0 0 335.270 2.851 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302071990 311176449 /nfs/dbraw/zinc/17/64/49/311176449.db2.gz WARZTWRLYSFLPJ-LBPRGKRZSA-N 0 0 337.376 2.508 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(F)cc2)c1 ZINC000302111132 311178070 /nfs/dbraw/zinc/17/80/70/311178070.db2.gz UIAINIPNSKHQKH-OAHLLOKOSA-N 0 0 334.303 2.666 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(C(C)C)n2C)c1 ZINC000302122041 311178622 /nfs/dbraw/zinc/17/86/22/311178622.db2.gz YKWIIASFLRJCKE-UHFFFAOYSA-N 0 0 336.373 2.785 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nc3ccccc3[nH]2)c1 ZINC000302123929 311178930 /nfs/dbraw/zinc/17/89/30/311178930.db2.gz YYVJKIHCWPGIMS-UHFFFAOYSA-N 0 0 340.339 2.912 10 5 EFBERN COC(=O)[C@@]12CCC[C@H]1CN(c1cc(OC)cc(F)c1[N+](=O)[O-])C2 ZINC000302133969 311179509 /nfs/dbraw/zinc/17/95/09/311179509.db2.gz CQULHNYAAZOQMO-MGPLVRAMSA-N 0 0 338.335 2.522 10 5 EFBERN C[C@@H]1CCC[C@@H](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302142807 311180297 /nfs/dbraw/zinc/18/02/97/311180297.db2.gz PTGDVTOFMILJFS-NEPJUHHUSA-N 0 0 341.433 2.871 10 5 EFBERN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(N2CCCC2=O)cc1 ZINC000302149053 311180671 /nfs/dbraw/zinc/18/06/71/311180671.db2.gz JKZWUGNIVSURBC-LLVKDONJSA-N 0 0 327.344 2.685 10 5 EFBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000302154168 311181065 /nfs/dbraw/zinc/18/10/65/311181065.db2.gz IJTLOMAXCWCUKQ-KZULUSFZSA-N 0 0 341.367 2.923 10 5 EFBERN CC1(CCNc2cc(Br)ccc2[N+](=O)[O-])OCCO1 ZINC000302158278 311181194 /nfs/dbraw/zinc/18/11/94/311181194.db2.gz NSEOOFMFKKOGTK-UHFFFAOYSA-N 0 0 331.166 2.922 10 5 EFBERN Cc1nc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)no1 ZINC000302166293 311181749 /nfs/dbraw/zinc/18/17/49/311181749.db2.gz JRCCXNHTVLMYBU-UHFFFAOYSA-N 0 0 341.327 2.872 10 5 EFBERN O=[N+]([O-])c1cnc(Sc2nnc3ccc(C(F)(F)F)cn32)nc1 ZINC000302168877 311182030 /nfs/dbraw/zinc/18/20/30/311182030.db2.gz SWIVTPIYFFXYPV-UHFFFAOYSA-N 0 0 342.262 2.598 10 5 EFBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])c3cccnc31)C2 ZINC000302175119 311182611 /nfs/dbraw/zinc/18/26/11/311182611.db2.gz MSXSDAUYHVGMRM-KZULUSFZSA-N 0 0 341.367 2.923 10 5 EFBERN Cc1noc(C)c1CO[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000302178086 311182651 /nfs/dbraw/zinc/18/26/51/311182651.db2.gz XBAWYNAHTARPJE-CYBMUJFWSA-N 0 0 332.360 2.699 10 5 EFBERN O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCCN1c1cccnc1 ZINC000302193815 311183594 /nfs/dbraw/zinc/18/35/94/311183594.db2.gz WNTBKISCAAQLEJ-CYBMUJFWSA-N 0 0 347.762 2.646 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](c4c(F)cccc4F)C3)nn21 ZINC000302218438 311185545 /nfs/dbraw/zinc/18/55/45/311185545.db2.gz KWZKXJOJLQRBQV-SNVBAGLBSA-N 0 0 345.309 2.910 10 5 EFBERN CCC1(CC)CN(c2cc(OC)c([N+](=O)[O-])cc2F)CC[S@]1=O ZINC000302224938 311185723 /nfs/dbraw/zinc/18/57/23/311185723.db2.gz QSSKGVARWOFIPG-HSZRJFAPSA-N 0 0 344.408 2.870 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCOC3)C2)nc1-c1ccccc1 ZINC000302224516 311185772 /nfs/dbraw/zinc/18/57/72/311185772.db2.gz QJTPOFMRGDJPEG-SFHVURJKSA-N 0 0 341.367 2.653 10 5 EFBERN CCC1(CC)CN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC[S@@]1=O ZINC000302225905 311186028 /nfs/dbraw/zinc/18/60/28/311186028.db2.gz RZNAIYZEQSKWJK-QHCPKHFHSA-N 0 0 344.408 2.870 10 5 EFBERN NC(=O)c1coc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)c1 ZINC000302346140 311188324 /nfs/dbraw/zinc/18/83/24/311188324.db2.gz AWBZZEUEPKPJKG-UHFFFAOYSA-N 0 0 327.243 2.500 10 5 EFBERN NC(=O)c1coc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000302341064 311188405 /nfs/dbraw/zinc/18/84/05/311188405.db2.gz ACXKHNILDDXDSF-UHFFFAOYSA-N 0 0 329.234 2.918 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000302373818 311188746 /nfs/dbraw/zinc/18/87/46/311188746.db2.gz FQBQWOWPGLAQSE-UHFFFAOYSA-N 0 0 331.351 2.661 10 5 EFBERN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCC(C)(C)O2)c1[N+](=O)[O-] ZINC000302377851 311188824 /nfs/dbraw/zinc/18/88/24/311188824.db2.gz GDPZJAROQKOVSI-NSHDSACASA-N 0 0 339.348 2.673 10 5 EFBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O ZINC000302454502 311190481 /nfs/dbraw/zinc/19/04/81/311190481.db2.gz PZJAPTKYBRGGFX-UHFFFAOYSA-N 0 0 330.381 2.528 10 5 EFBERN Cc1nn(C)c(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000302552501 311193140 /nfs/dbraw/zinc/19/31/40/311193140.db2.gz KFQPFNIWGJVKFO-VIFPVBQESA-N 0 0 349.357 2.711 10 5 EFBERN CC(C)c1nnc2n1CCN(c1nc3sccn3c1[N+](=O)[O-])[C@H]2C ZINC000302568332 311193665 /nfs/dbraw/zinc/19/36/65/311193665.db2.gz POZNEALCZSFVJV-VIFPVBQESA-N 0 0 347.404 2.600 10 5 EFBERN COc1cccc(NCCCc2nnc3ccccn32)c1[N+](=O)[O-] ZINC000302644510 311195283 /nfs/dbraw/zinc/19/52/83/311195283.db2.gz IWIODXPPQKOQIR-UHFFFAOYSA-N 0 0 327.344 2.691 10 5 EFBERN Cc1nc(C)c(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000302645817 311195302 /nfs/dbraw/zinc/19/53/02/311195302.db2.gz JBXQUFVSGWTSRY-UHFFFAOYSA-N 0 0 334.357 2.611 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1c1ccco1 ZINC000302666051 311195837 /nfs/dbraw/zinc/19/58/37/311195837.db2.gz QCNWWPIYUYTULR-GFCCVEGCSA-N 0 0 336.369 2.933 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302679952 311196359 /nfs/dbraw/zinc/19/63/59/311196359.db2.gz OMPWOXJGDHWASC-WOPDTQHZSA-N 0 0 326.418 2.869 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302679950 311196442 /nfs/dbraw/zinc/19/64/42/311196442.db2.gz OMPWOXJGDHWASC-IJLUTSLNSA-N 0 0 326.418 2.869 10 5 EFBERN Cc1cc(N2C[C@H](C(N)=O)CC[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302688404 311196638 /nfs/dbraw/zinc/19/66/38/311196638.db2.gz UPRSBDGPYQHXSP-VXGBXAGGSA-N 0 0 328.372 2.542 10 5 EFBERN CC1(C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@@H]1C(F)(F)F ZINC000302730372 311198308 /nfs/dbraw/zinc/19/83/08/311198308.db2.gz RWDGEEDYGCZSSN-JTQLQIEISA-N 0 0 346.309 2.504 10 5 EFBERN COC(=O)c1cnc(NCc2nc3c(cccc3C)[nH]2)c([N+](=O)[O-])c1 ZINC000302746243 311199099 /nfs/dbraw/zinc/19/90/99/311199099.db2.gz FSDUJMUOSJYVAP-UHFFFAOYSA-N 0 0 341.327 2.573 10 5 EFBERN COC(=O)c1cnc(NCc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000302754193 311199587 /nfs/dbraw/zinc/19/95/87/311199587.db2.gz IDDZNQYTXJCIDC-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN CC(C)C[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])N1CCOCC1 ZINC000302824896 311203228 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10 5 EFBERN Cc1ccc(C2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)cn1 ZINC000420601784 312374828 /nfs/dbraw/zinc/37/48/28/312374828.db2.gz HBAGAHCZRZQNIT-UHFFFAOYSA-N 0 0 340.383 2.781 10 5 EFBERN NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(OCC2CCCC2)CC1 ZINC000420602256 312375131 /nfs/dbraw/zinc/37/51/31/312375131.db2.gz OMGRSTMUDCRSQZ-UHFFFAOYSA-N 0 0 347.415 2.869 10 5 EFBERN COc1ccccc1[C@@]1(C)C[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420606288 312375254 /nfs/dbraw/zinc/37/52/54/312375254.db2.gz WVHLAWNOLIHQAO-CRAIPNDOSA-N 0 0 341.367 2.844 10 5 EFBERN COc1ccccc1[C@@]1(C)C[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420606289 312375368 /nfs/dbraw/zinc/37/53/68/312375368.db2.gz WVHLAWNOLIHQAO-MAUKXSAKSA-N 0 0 341.367 2.844 10 5 EFBERN CCc1cc(N2CC[C@@]23CCOC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420642995 312378196 /nfs/dbraw/zinc/37/81/96/312378196.db2.gz PSCMXUJGWPJPGL-SFHVURJKSA-N 0 0 340.383 2.983 10 5 EFBERN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000425158303 312516502 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LCWNZRXYLIUMPD-UHFFFAOYSA-N 0 0 329.316 2.729 10 5 EFBERN C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])N1CCCCC1=O ZINC000450477606 312697103 /nfs/dbraw/zinc/69/71/03/312697103.db2.gz XGYCHOQNUQQUKX-GFCCVEGCSA-N 0 0 328.372 2.956 10 5 EFBERN NS(=O)(=O)c1ccc(NCC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000450729348 312734569 /nfs/dbraw/zinc/73/45/69/312734569.db2.gz PAWURRVIFKWNPG-UHFFFAOYSA-N 0 0 327.406 2.625 10 5 EFBERN COC(=O)c1cnc(NC[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450733645 312735329 /nfs/dbraw/zinc/73/53/29/312735329.db2.gz ACPIXTHODWNQTJ-SMDDNHRTSA-N 0 0 337.376 2.640 10 5 EFBERN O=C(NCC1(CCO)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450820794 312752472 /nfs/dbraw/zinc/75/24/72/312752472.db2.gz OZKHHEDJAMDHLJ-UHFFFAOYSA-N 0 0 332.278 2.506 10 5 EFBERN CC1(C)CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC[S@]1=O ZINC000450824480 312753007 /nfs/dbraw/zinc/75/30/07/312753007.db2.gz DJAWMJBRAOTPBV-HSZRJFAPSA-N 0 0 333.413 2.880 10 5 EFBERN COc1cc(N2CCN(CC(F)(F)F)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450865814 312761358 /nfs/dbraw/zinc/76/13/58/312761358.db2.gz FBRKEJMVTNSCFE-LLVKDONJSA-N 0 0 347.337 2.924 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000450873167 312764205 /nfs/dbraw/zinc/76/42/05/312764205.db2.gz CTZFVECSGBHQKZ-LKFCYVNXSA-N 0 0 341.289 2.893 10 5 EFBERN Cc1cc(N2CCN(CC(F)(F)F)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450876891 312764964 /nfs/dbraw/zinc/76/49/64/312764964.db2.gz SSFKVEAEQTZUQC-SNVBAGLBSA-N 0 0 332.326 2.619 10 5 EFBERN NC(=O)c1ccnc(N2CCC[C@H]2c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000450916369 312774343 /nfs/dbraw/zinc/77/43/43/312774343.db2.gz VHMMPRHQYYJCPL-ZDUSSCGKSA-N 0 0 348.309 2.708 10 5 EFBERN CC(C)CCc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)nc1 ZINC000455960131 313002062 /nfs/dbraw/zinc/00/20/62/313002062.db2.gz LYKLZINVZUEFLG-UHFFFAOYSA-N 0 0 346.391 2.597 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456097885 313026562 /nfs/dbraw/zinc/02/65/62/313026562.db2.gz JDOALQCOCIGKHL-BMFZPTHFSA-N 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Cc1nc(C[C@H]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)no1 ZINC000171246500 473338290 /nfs/dbraw/zinc/33/82/90/473338290.db2.gz HOAKTUWYTRLXEC-CYBMUJFWSA-N 0 0 344.371 2.690 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(C2CCOCC2)CC1 ZINC000162440153 473339657 /nfs/dbraw/zinc/33/96/57/473339657.db2.gz RVOFWGBOLFVBML-UHFFFAOYSA-N 0 0 348.399 2.639 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3N3CCCC3)nn21 ZINC000615491037 469248979 /nfs/dbraw/zinc/24/89/79/469248979.db2.gz KUESPQTZQUYWHV-UHFFFAOYSA-N 0 0 338.371 2.850 10 5 EFBERN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000083434149 473342399 /nfs/dbraw/zinc/34/23/99/473342399.db2.gz OMBPSULYKZSHLQ-JKSUJKDBSA-N 0 0 326.352 2.895 10 5 EFBERN CCc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n[nH]1 ZINC000611697146 469305032 /nfs/dbraw/zinc/30/50/32/469305032.db2.gz ORUWUZTXPXNZHQ-UHFFFAOYSA-N 0 0 326.259 2.734 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NCCc3cnc(C4CC4)nc3)c2c1 ZINC000611712455 469307297 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CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162662495 473369817 /nfs/dbraw/zinc/36/98/17/473369817.db2.gz GTKAXMSCLQYVQK-NEPJUHHUSA-N 0 0 335.360 2.757 10 5 EFBERN Cc1sc(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000162709759 473373152 /nfs/dbraw/zinc/37/31/52/473373152.db2.gz DLKSSJUUHPKMCK-XLKFXECMSA-N 0 0 338.360 2.956 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccnc2)CC1 ZINC000125209000 473374502 /nfs/dbraw/zinc/37/45/02/473374502.db2.gz OZYGMKWEDIBMOR-OAHLLOKOSA-N 0 0 326.400 2.869 10 5 EFBERN CSC[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000083990592 473380551 /nfs/dbraw/zinc/38/05/51/473380551.db2.gz SEGQGSSTGAPJNH-QMMMGPOBSA-N 0 0 332.223 2.942 10 5 EFBERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000125262347 473383021 /nfs/dbraw/zinc/38/30/21/473383021.db2.gz XDPLPSODJMVJJH-GXTWGEPZSA-N 0 0 345.403 2.827 10 5 EFBERN COC(=O)[C@H]1CCCc2c1cnn2Cc1cccc([N+](=O)[O-])c1C ZINC000084041643 473384350 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CC(C)Oc1cccnc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088230753 472351009 /nfs/dbraw/zinc/35/10/09/472351009.db2.gz NWTDEYLAEBDLEV-UHFFFAOYSA-N 0 0 341.367 2.976 10 5 EFBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000088270221 472353771 /nfs/dbraw/zinc/35/37/71/472353771.db2.gz QOAYBVWQBIWHNI-OCCSQVGLSA-N 0 0 338.335 2.586 10 5 EFBERN CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000069524552 472362813 /nfs/dbraw/zinc/36/28/13/472362813.db2.gz PZHGNYPPSBVILO-MRXNPFEDSA-N 0 0 327.340 2.801 10 5 EFBERN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000045076015 472370306 /nfs/dbraw/zinc/37/03/06/472370306.db2.gz KGKJBRSFCBVNNR-SNVBAGLBSA-N 0 0 342.355 2.748 10 5 EFBERN C[C@H](NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccco1 ZINC000069599325 472378181 /nfs/dbraw/zinc/37/81/81/472378181.db2.gz VDIUIWRUFCZKCL-LBPRGKRZSA-N 0 0 340.339 2.929 10 5 EFBERN COc1ccccc1NC(=O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607685 472378346 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O=C(NCCCCn1ccccc1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071899699 472607464 /nfs/dbraw/zinc/60/74/64/472607464.db2.gz NWDBGWAETSRIFK-UHFFFAOYSA-N 0 0 349.774 2.620 10 5 EFBERN CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000090222297 472609675 /nfs/dbraw/zinc/60/96/75/472609675.db2.gz PVBKXMTUSILUPY-ZDUSSCGKSA-N 0 0 339.373 2.629 10 5 EFBERN CC[C@@H](O)c1ccc(Oc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000071905774 472612791 /nfs/dbraw/zinc/61/27/91/472612791.db2.gz JFJRVWWHUZESOY-CYBMUJFWSA-N 0 0 341.323 2.838 10 5 EFBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[C@H]1c1ccco1 ZINC000103201516 472618075 /nfs/dbraw/zinc/61/80/75/472618075.db2.gz BJNVHBWHCCDCNM-VXGBXAGGSA-N 0 0 339.311 2.715 10 5 EFBERN CC[C@H](NC(=O)c1ccc(C(=O)OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000090467101 472622330 /nfs/dbraw/zinc/62/23/30/472622330.db2.gz AXAIMQPYSPRQHW-AWEZNQCLSA-N 0 0 343.339 2.658 10 5 EFBERN CC[C@H](NC(=O)CNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090466802 472623230 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EFBERN CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000091483279 472772148 /nfs/dbraw/zinc/77/21/48/472772148.db2.gz MSCWSIVXIWEHDW-INIZCTEOSA-N 0 0 329.331 2.976 10 5 EFBERN CCOC(=O)[C@@H](CNc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000063507530 472784708 /nfs/dbraw/zinc/78/47/08/472784708.db2.gz OJMMCGFFOQVEDQ-CQSZACIVSA-N 0 0 329.356 2.824 10 5 EFBERN CCNC(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000078902735 472786919 /nfs/dbraw/zinc/78/69/19/472786919.db2.gz VKSDLWBBJSVNAA-UHFFFAOYSA-N 0 0 342.355 2.666 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000105848149 472788122 /nfs/dbraw/zinc/78/81/22/472788122.db2.gz BQOXXVUEEUQYDC-OAHLLOKOSA-N 0 0 343.387 2.626 10 5 EFBERN Cc1cnn([C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000105857434 472789254 /nfs/dbraw/zinc/78/92/54/472789254.db2.gz OJLNUDWFZZEXBO-INIZCTEOSA-N 0 0 328.372 2.506 10 5 EFBERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000105852952 472789451 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EFBERN CCOc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1F ZINC000106033461 472819676 /nfs/dbraw/zinc/81/96/76/472819676.db2.gz GKTMDAZJUMZGNB-UHFFFAOYSA-N 0 0 347.346 2.861 10 5 EFBERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCO2)o1 ZINC000133643096 472827166 /nfs/dbraw/zinc/82/71/66/472827166.db2.gz UBLMECGRUILGDX-HNNXBMFYSA-N 0 0 334.303 2.849 10 5 EFBERN Cn1c2ccc(Cl)cc2[nH]c1=NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000063981681 472829060 /nfs/dbraw/zinc/82/90/60/472829060.db2.gz IFXBQYPLTQGYLA-UHFFFAOYSA-N 0 0 344.758 2.738 10 5 EFBERN Cn1c2ccc(Cl)cc2[nH]c1=NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063982471 472829240 /nfs/dbraw/zinc/82/92/40/472829240.db2.gz AWTJGGICDPXZOT-UHFFFAOYSA-N 0 0 348.721 2.948 10 5 EFBERN CC(C)n1nnnc1COc1ccc([N+](=O)[O-])cc1Br ZINC000133693595 472832078 /nfs/dbraw/zinc/83/20/78/472832078.db2.gz WNAXFMVHQBDJEG-UHFFFAOYSA-N 0 0 342.153 2.504 10 5 EFBERN COCCCCS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000133706702 472833570 /nfs/dbraw/zinc/83/35/70/472833570.db2.gz 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CO[C@H](C)[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000190352893 474585442 /nfs/dbraw/zinc/58/54/42/474585442.db2.gz ONAGUDFCCFTOGG-VHSXEESVSA-N 0 0 335.385 2.872 10 5 EFBERN CO[C@@H]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000190380224 474592625 /nfs/dbraw/zinc/59/26/25/474592625.db2.gz ODGJCNYJOKPULR-XJKSGUPXSA-N 0 0 333.388 2.836 10 5 EFBERN CC1(C)CC[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000278324436 474609676 /nfs/dbraw/zinc/60/96/76/474609676.db2.gz KGQQJMOJKDUEOH-MRXNPFEDSA-N 0 0 348.399 2.922 10 5 EFBERN Cc1nn(C)c(C)c1Nc1ncc([N+](=O)[O-])cc1Br ZINC000267256624 474629660 /nfs/dbraw/zinc/62/96/60/474629660.db2.gz PJNNGUSHAUFBEV-UHFFFAOYSA-N 0 0 326.154 2.846 10 5 EFBERN CO[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000251437122 474635719 /nfs/dbraw/zinc/63/57/19/474635719.db2.gz AXVFJXJFVZZSGA-PVXIVEMSSA-N 0 0 335.404 2.587 10 5 EFBERN CO[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1C ZINC000251528096 474637807 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CC[C@@](C)(O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284713852 474736621 /nfs/dbraw/zinc/73/66/21/474736621.db2.gz JFFCCZTWOQFRAU-CQSZACIVSA-N 0 0 343.221 2.876 10 5 EFBERN COc1ccccc1OCCCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000609176408 480123066 /nfs/dbraw/zinc/12/30/66/480123066.db2.gz KVRIFNMHWHNPAJ-UHFFFAOYSA-N 0 0 345.355 2.506 10 5 EFBERN Cn1nccc1[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284719846 474737818 /nfs/dbraw/zinc/73/78/18/474737818.db2.gz JNTZLWQKROUVKF-OAHLLOKOSA-N 0 0 345.359 2.964 10 5 EFBERN Cn1nccc1[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284719844 474738796 /nfs/dbraw/zinc/73/87/96/474738796.db2.gz JNTZLWQKROUVKF-HNNXBMFYSA-N 0 0 345.359 2.964 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nnc3ccc(C(F)(F)F)cn32)cn1 ZINC000344421335 474740572 /nfs/dbraw/zinc/74/05/72/474740572.db2.gz ATJRIVHXCABQIT-UHFFFAOYSA-N 0 0 338.249 2.663 10 5 EFBERN O=[N+]([O-])c1cnccc1NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000340877350 474741511 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CC(C)(C)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000273231372 474791146 /nfs/dbraw/zinc/79/11/46/474791146.db2.gz DIMYYDZDGYPUIJ-GXTWGEPZSA-N 0 0 333.388 2.965 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2cccnc2)cc1OC(F)F ZINC000340936828 474796961 /nfs/dbraw/zinc/79/69/61/474796961.db2.gz JOJWMMKLHSMMAR-NSHDSACASA-N 0 0 339.298 2.779 10 5 EFBERN CC[C@H]1CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000292002886 474797615 /nfs/dbraw/zinc/79/76/15/474797615.db2.gz VAOFWRXOLUYGPS-VIFPVBQESA-N 0 0 349.206 2.530 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000273242326 474797927 /nfs/dbraw/zinc/79/79/27/474797927.db2.gz HUEWIMSQBIFHCA-ISBHARSQSA-N 0 0 346.383 2.800 10 5 EFBERN O=[N+]([O-])c1cccc([C@@H](Nc2cnn(CCO)c2)c2ccccc2)c1 ZINC000305854704 474799645 /nfs/dbraw/zinc/79/96/45/474799645.db2.gz WCHXZARUQHMOBD-SFHVURJKSA-N 0 0 338.367 2.985 10 5 EFBERN Cc1sc(C(=O)NC[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000337227368 474802084 /nfs/dbraw/zinc/80/20/84/474802084.db2.gz RSYBDRLPZFBJQR-GFCCVEGCSA-N 0 0 326.418 2.883 10 5 EFBERN Cc1cc(C)c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(=O)[nH]1 ZINC000338984132 474803318 /nfs/dbraw/zinc/80/33/18/474803318.db2.gz SNPOCIPUHMNTKJ-UHFFFAOYSA-N 0 0 341.323 2.988 10 5 EFBERN COc1ccc([C@@H](O)CNc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000268128629 474815399 /nfs/dbraw/zinc/81/53/99/474815399.db2.gz BACMGHKXLPGSCI-HNNXBMFYSA-N 0 0 336.319 2.897 10 5 EFBERN CC(C)(C)c1ccc(C(=O)NC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000268135962 474819281 /nfs/dbraw/zinc/81/92/81/474819281.db2.gz CHOGEDJLJVJXAA-NSHDSACASA-N 0 0 334.294 2.545 10 5 EFBERN Cc1nn(CCC(=O)NC/C=C\c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000255312407 474832192 /nfs/dbraw/zinc/83/21/92/474832192.db2.gz FOKASNWMLXGMMT-TWGQIWQCSA-N 0 0 328.372 2.628 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000340972934 474835591 /nfs/dbraw/zinc/83/55/91/474835591.db2.gz FUGNKVOMQWYWDB-LLVKDONJSA-N 0 0 340.401 2.535 10 5 EFBERN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000268170551 474841655 /nfs/dbraw/zinc/84/16/55/474841655.db2.gz ZWJZOCAZXBONHS-NXEZZACHSA-N 0 0 327.768 2.567 10 5 EFBERN COCc1ncsc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000340980111 474842404 /nfs/dbraw/zinc/84/24/04/474842404.db2.gz XFXPYUBRZXLMFB-SECBINFHSA-N 0 0 333.369 2.789 10 5 EFBERN CC(C)c1ccc(OCCNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000339022234 474844563 /nfs/dbraw/zinc/84/45/63/474844563.db2.gz JEOUGYVOIUDQIT-UHFFFAOYSA-N 0 0 344.371 2.703 10 5 EFBERN COc1cc(S(=O)(=O)NC2CC(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000339023447 474845304 /nfs/dbraw/zinc/84/53/04/474845304.db2.gz ZEMGPDJXNOXXNE-UHFFFAOYSA-N 0 0 342.417 2.706 10 5 EFBERN COc1cc(OCC(=O)N2CCCC[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000337272470 474846649 /nfs/dbraw/zinc/84/66/49/474846649.db2.gz DLRNAZDXERKSQQ-GFCCVEGCSA-N 0 0 344.314 2.628 10 5 EFBERN CC1(C)C(=O)Nc2cc(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000339036647 474862932 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O=C1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C1CC1 ZINC000337395854 474974998 /nfs/dbraw/zinc/97/49/98/474974998.db2.gz PJTGGTOICRZSDF-UHFFFAOYSA-N 0 0 341.367 2.661 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1C(F)F ZINC000337433096 475012876 /nfs/dbraw/zinc/01/28/76/475012876.db2.gz ZVZNJWKZMXUKQN-ZDUSSCGKSA-N 0 0 327.331 2.961 10 5 EFBERN CC(=O)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000339184066 475016386 /nfs/dbraw/zinc/01/63/86/475016386.db2.gz IDQBDVSYIYUNGT-INIZCTEOSA-N 0 0 345.330 2.940 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CC[C@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000617246079 480139226 /nfs/dbraw/zinc/13/92/26/480139226.db2.gz JJJIUWGZMQPREJ-JOYOIKCWSA-N 0 0 330.381 2.580 10 5 EFBERN COc1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000261694483 475027931 /nfs/dbraw/zinc/02/79/31/475027931.db2.gz OBOVWGQVUFETGO-NFAWXSAZSA-N 0 0 334.372 2.821 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2nccs2)CC1 ZINC000328586501 475032237 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COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000609300157 480140774 /nfs/dbraw/zinc/14/07/74/480140774.db2.gz BAPOZKFBXAABRC-UHFFFAOYSA-N 0 0 340.335 2.846 10 5 EFBERN O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc4c(c3)OCCO4)n2)cc1 ZINC000339221563 475052609 /nfs/dbraw/zinc/05/26/09/475052609.db2.gz HWBXCPBWBBWUAN-UHFFFAOYSA-N 0 0 338.323 2.673 10 5 EFBERN CCCN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000339233056 475063497 /nfs/dbraw/zinc/06/34/97/475063497.db2.gz NBKNHRULVUMEHC-UHFFFAOYSA-N 0 0 328.372 2.788 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000268925143 475073719 /nfs/dbraw/zinc/07/37/19/475073719.db2.gz VRNHCPLXUKICKH-SGTLLEGYSA-N 0 0 343.383 2.843 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000268925142 475074316 /nfs/dbraw/zinc/07/43/16/475074316.db2.gz VRNHCPLXUKICKH-KZULUSFZSA-N 0 0 343.383 2.843 10 5 EFBERN Cc1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000292544529 475079806 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Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000345481915 475213397 /nfs/dbraw/zinc/21/33/97/475213397.db2.gz IPEZICMPKDRWKC-UHFFFAOYSA-N 0 0 343.387 2.861 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1cnc(C2CC2)nc1 ZINC000339468164 475235699 /nfs/dbraw/zinc/23/56/99/475235699.db2.gz OXOUZIXUHWBTKH-UHFFFAOYSA-N 0 0 340.383 2.554 10 5 EFBERN COC1CCC(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000354545493 475239499 /nfs/dbraw/zinc/23/94/99/475239499.db2.gz UFCMOSZGSKWWBT-UHFFFAOYSA-N 0 0 348.446 2.677 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(=O)[nH]c1 ZINC000341715216 475244595 /nfs/dbraw/zinc/24/45/95/475244595.db2.gz SIBYWQKFTGXZOC-UHFFFAOYSA-N 0 0 338.117 2.710 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCOC2 ZINC000347339583 475246471 /nfs/dbraw/zinc/24/64/71/475246471.db2.gz VGNRKYNCGNREFT-INIZCTEOSA-N 0 0 336.413 2.716 10 5 EFBERN COc1cc(C(=O)Nc2cnc(CC3CC3)nc2)ccc1[N+](=O)[O-] ZINC000341733639 475258948 /nfs/dbraw/zinc/25/89/48/475258948.db2.gz KGIFVUXUDIWXGY-UHFFFAOYSA-N 0 0 328.328 2.598 10 5 EFBERN O=C(NCc1ccnc(OC(F)F)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000341737944 475262311 /nfs/dbraw/zinc/26/23/11/475262311.db2.gz RAUXBVFRUGAQHY-UHFFFAOYSA-N 0 0 341.245 2.660 10 5 EFBERN C[C@@H]1COCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341739500 475263608 /nfs/dbraw/zinc/26/36/08/475263608.db2.gz SOWLCHWHJZQZPH-PRHODGIISA-N 0 0 343.177 2.968 10 5 EFBERN COc1ccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nn1 ZINC000341738810 475264272 /nfs/dbraw/zinc/26/42/72/475264272.db2.gz QRAKIBYYPHDFKT-UHFFFAOYSA-N 0 0 330.344 2.943 10 5 EFBERN CNC(=O)C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000352412848 475269429 /nfs/dbraw/zinc/26/94/29/475269429.db2.gz JKRBKYDKNIUVFT-MRXNPFEDSA-N 0 0 349.337 2.840 10 5 EFBERN COc1c(C(=O)Nc2cnc(CC3CC3)nc2)cccc1[N+](=O)[O-] ZINC000341751213 475272873 /nfs/dbraw/zinc/27/28/73/475272873.db2.gz VVAQTWWBTREHQN-UHFFFAOYSA-N 0 0 328.328 2.598 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@](C)(F)C1 ZINC000296340225 475273721 /nfs/dbraw/zinc/27/37/21/475273721.db2.gz NCZJLORGUFIZIC-HNNXBMFYSA-N 0 0 325.340 2.637 10 5 EFBERN Cn1cncc1Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000357935434 475274375 /nfs/dbraw/zinc/27/43/75/475274375.db2.gz MOECMRYYDZDWKP-UHFFFAOYSA-N 0 0 331.357 2.594 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N(CCc2ccccc2)C2CCCC2)n1 ZINC000357950067 475285595 /nfs/dbraw/zinc/28/55/95/475285595.db2.gz VVTBAXROFNLDRS-UHFFFAOYSA-N 0 0 342.399 2.956 10 5 EFBERN Cn1cncc1Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000357950381 475286011 /nfs/dbraw/zinc/28/60/11/475286011.db2.gz PGMCMIGYMVCTMJ-UHFFFAOYSA-N 0 0 327.344 2.628 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(c2ccccc2F)C1 ZINC000361231105 475288667 /nfs/dbraw/zinc/28/86/67/475288667.db2.gz WTLWLHVAGMIEFZ-UHFFFAOYSA-N 0 0 330.315 2.739 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000345595414 475293737 /nfs/dbraw/zinc/29/37/37/475293737.db2.gz WBBAYJAFOVNDGD-AWEZNQCLSA-N 0 0 348.786 2.890 10 5 EFBERN C[C@@H](NC(=O)Cc1csc2nccn12)c1ccccc1[N+](=O)[O-] ZINC000341777326 475293723 /nfs/dbraw/zinc/29/37/23/475293723.db2.gz VZSQCIAFQZUWKC-SNVBAGLBSA-N 0 0 330.369 2.724 10 5 EFBERN O=C1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000361235792 475293840 /nfs/dbraw/zinc/29/38/40/475293840.db2.gz FQPQRNXEEZXEES-JYJNAYRXSA-N 0 0 338.367 2.559 10 5 EFBERN O=C(NCCc1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])o1 ZINC000352438903 475297881 /nfs/dbraw/zinc/29/78/81/475297881.db2.gz SJTIOPGTDXGAFL-UHFFFAOYSA-N 0 0 329.234 2.574 10 5 EFBERN COc1cccc(N2C[C@@H](NCc3csc([N+](=O)[O-])c3)CC2=O)c1 ZINC000337761628 475303314 /nfs/dbraw/zinc/30/33/14/475303314.db2.gz WUCJYDPKQCDYRY-LBPRGKRZSA-N 0 0 347.396 2.560 10 5 EFBERN COc1c2ccccc2oc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000354641919 475309811 /nfs/dbraw/zinc/30/98/11/475309811.db2.gz WKDCPXLQNPAIKT-UHFFFAOYSA-N 0 0 341.323 2.983 10 5 EFBERN Cc1c(Br)c(N[C@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000347429981 475312076 /nfs/dbraw/zinc/31/20/76/475312076.db2.gz MPXZORKOEHDAHK-JTQLQIEISA-N 0 0 343.225 2.955 10 5 EFBERN CC(C)(C(=O)NCc1noc(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000357995968 475319337 /nfs/dbraw/zinc/31/93/37/475319337.db2.gz VTRFBLLUULWBTI-UHFFFAOYSA-N 0 0 348.334 2.588 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@]2(C1)CCCOC2 ZINC000341809747 475320854 /nfs/dbraw/zinc/32/08/54/475320854.db2.gz ORKRNSJUNPIXGF-GOSISDBHSA-N 0 0 343.383 2.579 10 5 EFBERN CC[C@@H](CC(F)(F)F)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000354670250 475329404 /nfs/dbraw/zinc/32/94/04/475329404.db2.gz IPLAHZFFHQNWDF-JTQLQIEISA-N 0 0 340.323 2.745 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C(C)C)C(F)(F)F ZINC000345644562 475330628 /nfs/dbraw/zinc/33/06/28/475330628.db2.gz PUWYQJHIJFIURE-LLVKDONJSA-N 0 0 340.323 2.768 10 5 EFBERN CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)OC(C)(C)C ZINC000352481700 475336134 /nfs/dbraw/zinc/33/61/34/475336134.db2.gz OCHRCZIMRZFENU-LLVKDONJSA-N 0 0 325.365 2.553 10 5 EFBERN CO[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000345658526 475343707 /nfs/dbraw/zinc/34/37/07/475343707.db2.gz IAWWXSAIMRKCSU-SNVBAGLBSA-N 0 0 339.245 2.823 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000354724599 475359621 /nfs/dbraw/zinc/35/96/21/475359621.db2.gz DQDWPJVGCLZREP-AGIUHOORSA-N 0 0 343.387 2.682 10 5 EFBERN C[C@@H]1[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000296541338 475362319 /nfs/dbraw/zinc/36/23/19/475362319.db2.gz BEQOEHAMHVABGB-JGVFFNPUSA-N 0 0 338.307 2.643 10 5 EFBERN O=C(NCc1ncccc1O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000352510872 475365707 /nfs/dbraw/zinc/36/57/07/475365707.db2.gz VLIHJMKDGCOJAF-UHFFFAOYSA-N 0 0 329.337 2.840 10 5 EFBERN COc1nn(C)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354742564 475374740 /nfs/dbraw/zinc/37/47/40/475374740.db2.gz WVHGANUBZPPIDP-UHFFFAOYSA-N 0 0 347.375 2.779 10 5 EFBERN COc1cccc(C[C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000354742310 475375143 /nfs/dbraw/zinc/37/51/43/475375143.db2.gz UOSADHDDXPIJHS-LLVKDONJSA-N 0 0 329.356 2.547 10 5 EFBERN CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(F)(F)F ZINC000348091567 475379423 /nfs/dbraw/zinc/37/94/23/475379423.db2.gz KURAHLXYOAPVLH-LBPRGKRZSA-N 0 0 342.277 2.851 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCCCNc1ccccc1F ZINC000345706054 475381640 /nfs/dbraw/zinc/38/16/40/475381640.db2.gz FNAWRNZUUAOJGO-UHFFFAOYSA-N 0 0 331.347 2.895 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n1 ZINC000331740756 475400307 /nfs/dbraw/zinc/40/03/07/475400307.db2.gz AIUOQXGAMFWMNW-QMMMGPOBSA-N 0 0 335.389 2.645 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000354776438 475400521 /nfs/dbraw/zinc/40/05/21/475400521.db2.gz YHABUCRDOLNFMJ-RYUDHWBXSA-N 0 0 342.417 2.708 10 5 EFBERN C[C@@H](NC(=O)NCCc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000341905848 475401031 /nfs/dbraw/zinc/40/10/31/475401031.db2.gz FCVDDQOGWBAPNZ-GFCCVEGCSA-N 0 0 329.356 2.903 10 5 EFBERN Cc1cc(Cl)c(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296642435 475409081 /nfs/dbraw/zinc/40/90/81/475409081.db2.gz WSLQMTZJRHMCEU-PHIMTYICSA-N 0 0 325.796 2.721 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(Sc3nnc4n3CCCCC4)nc2c1 ZINC000296647339 475410173 /nfs/dbraw/zinc/41/01/73/475410173.db2.gz XBQYXWBCAPDRKZ-UHFFFAOYSA-N 0 0 330.373 2.940 10 5 EFBERN O=C(Nc1cc(F)cc(F)c1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000348135675 475418583 /nfs/dbraw/zinc/41/85/83/475418583.db2.gz KWIPLVMPVIPZCJ-UHFFFAOYSA-N 0 0 340.213 2.993 10 5 EFBERN Cc1cc(NC(=O)[C@H]2C[C@@H]2C(F)F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000337903648 475419795 /nfs/dbraw/zinc/41/97/95/475419795.db2.gz SLEMOXQSHQHYEM-RYUDHWBXSA-N 0 0 336.298 2.929 10 5 EFBERN C[C@H](NC(=O)N[C@@H](CO)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000341927869 475420207 /nfs/dbraw/zinc/42/02/07/475420207.db2.gz XDDRAYCUVVVNBX-NHYWBVRUSA-N 0 0 347.346 2.828 10 5 EFBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1C[C@@H]1C(F)F ZINC000337913659 475426974 /nfs/dbraw/zinc/42/69/74/475426974.db2.gz ZYWOILPHNKGUBM-YUMQZZPRSA-N 0 0 328.271 2.596 10 5 EFBERN Cc1ccncc1CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361411717 475427442 /nfs/dbraw/zinc/42/74/42/475427442.db2.gz ZNBQYBUFHAIYKG-CYBMUJFWSA-N 0 0 328.372 2.757 10 5 EFBERN CCc1cc(N[C@@H](C)c2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339706287 475427853 /nfs/dbraw/zinc/42/78/53/475427853.db2.gz QTNYMLCWQSWXGT-NSHDSACASA-N 0 0 338.371 2.932 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C[C@@H](C)OC)C(C)C ZINC000345765822 475431328 /nfs/dbraw/zinc/43/13/28/475431328.db2.gz MPWPXJJHKOVXQB-GFCCVEGCSA-N 0 0 339.392 2.558 10 5 EFBERN COc1cc(CN2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000361420446 475434794 /nfs/dbraw/zinc/43/47/94/475434794.db2.gz NLDAPYLENQNSRR-CYBMUJFWSA-N 0 0 346.330 2.550 10 5 EFBERN Cn1c(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000361434579 475448289 /nfs/dbraw/zinc/44/82/89/475448289.db2.gz OKPUJORUPSMZDC-QGZVFWFLSA-N 0 0 331.347 2.876 10 5 EFBERN CC(C)(NC(=O)C(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000345794717 475456253 /nfs/dbraw/zinc/45/62/53/475456253.db2.gz ILGUQXLRHDFLGO-UHFFFAOYSA-N 0 0 330.315 2.968 10 5 EFBERN Cn1cc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000341973827 475465382 /nfs/dbraw/zinc/46/53/82/475465382.db2.gz WJISMDWCHXZAIR-UHFFFAOYSA-N 0 0 348.384 2.560 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)c1ccc(F)cc1 ZINC000337972215 475473494 /nfs/dbraw/zinc/47/34/94/475473494.db2.gz YHBLCSAELDYIKV-UHFFFAOYSA-N 0 0 330.315 2.618 10 5 EFBERN CCc1noc(C)c1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000354865256 475474143 /nfs/dbraw/zinc/47/41/43/475474143.db2.gz WFDURHGQXXDKKV-UHFFFAOYSA-N 0 0 335.385 2.862 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000358222510 475503985 /nfs/dbraw/zinc/50/39/85/475503985.db2.gz KRFJCYVYIGBFEB-UHFFFAOYSA-N 0 0 338.747 2.784 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228311 475504131 /nfs/dbraw/zinc/50/41/31/475504131.db2.gz KKDOVFOHOHTXEG-NXEZZACHSA-N 0 0 331.294 2.806 10 5 EFBERN NC(=O)[C@H](CNc1c(F)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000342014036 475505225 /nfs/dbraw/zinc/50/52/25/475505225.db2.gz UBBGLMSABJDFKY-NSHDSACASA-N 0 0 335.310 2.629 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1ncccc1C ZINC000296861842 475510329 /nfs/dbraw/zinc/51/03/29/475510329.db2.gz FIOMJVDJKNLVCQ-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000358229959 475510744 /nfs/dbraw/zinc/51/07/44/475510744.db2.gz VZPQHYFEHJAOTI-UHFFFAOYSA-N 0 0 338.747 2.784 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CCCc2nccn21)c1cccc([N+](=O)[O-])c1 ZINC000354910752 475511183 /nfs/dbraw/zinc/51/11/83/475511183.db2.gz CMHAFDBRPOTWBR-CABCVRRESA-N 0 0 328.372 2.936 10 5 EFBERN CCOc1ccc(C(=O)N(CCO)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000358241235 475518512 /nfs/dbraw/zinc/51/85/12/475518512.db2.gz UTWCIOKNWAQGEQ-UHFFFAOYSA-N 0 0 348.355 2.530 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000338026870 475521406 /nfs/dbraw/zinc/52/14/06/475521406.db2.gz GXWSYVPYQRUPDY-UHFFFAOYSA-N 0 0 345.424 2.923 10 5 EFBERN Cc1ncsc1CN(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342041489 475525315 /nfs/dbraw/zinc/52/53/15/475525315.db2.gz ISWLMKAHIBUDPY-UHFFFAOYSA-N 0 0 341.339 2.839 10 5 EFBERN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000338038903 475534116 /nfs/dbraw/zinc/53/41/16/475534116.db2.gz CEFULCWARIJVHH-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN COc1cc2c(cc1OC)CCN(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000352693379 475538546 /nfs/dbraw/zinc/53/85/46/475538546.db2.gz OMOJTPIXSFLWGK-UHFFFAOYSA-N 0 0 329.356 2.612 10 5 EFBERN Cc1nc2ccnn2c(C)c1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342058735 475539867 /nfs/dbraw/zinc/53/98/67/475539867.db2.gz RNMKTXBQTLKVDC-JTQLQIEISA-N 0 0 339.355 2.745 10 5 EFBERN C[C@H](NC(=O)N[C@H]1CCCc2nn(C)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000296931134 475540158 /nfs/dbraw/zinc/54/01/58/475540158.db2.gz OSGLDTRIVSIQLB-NHYWBVRUSA-N 0 0 343.387 2.766 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000342062430 475540636 /nfs/dbraw/zinc/54/06/36/475540636.db2.gz OSQGCIYPZUMYKU-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296935760 475541769 /nfs/dbraw/zinc/54/17/69/475541769.db2.gz ITCACYVENDHALF-GDBMZVCRSA-N 0 0 327.340 2.640 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)Sc2cccnn2)c([N+](=O)[O-])c1 ZINC000358269521 475546581 /nfs/dbraw/zinc/54/65/81/475546581.db2.gz ZQSNVZOEIVMREI-SECBINFHSA-N 0 0 334.357 2.513 10 5 EFBERN CCN(CCCO)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000339837257 475546750 /nfs/dbraw/zinc/54/67/50/475546750.db2.gz KVEAXUYYTOCAPO-AWEZNQCLSA-N 0 0 349.431 2.676 10 5 EFBERN Cc1cc(C)c(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c(=O)[nH]1 ZINC000358278879 475555798 /nfs/dbraw/zinc/55/57/98/475555798.db2.gz SEWMVBSTHCLINP-UHFFFAOYSA-N 0 0 344.371 2.620 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]2C(F)(F)F)c1 ZINC000352725237 475567138 /nfs/dbraw/zinc/56/71/38/475567138.db2.gz BAGVGCBZLYVDNJ-NSHDSACASA-N 0 0 338.307 2.537 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]1C(F)(F)F ZINC000352725191 475567213 /nfs/dbraw/zinc/56/72/13/475567213.db2.gz AHZCFDBTYHMTIH-QMMMGPOBSA-N 0 0 344.698 2.574 10 5 EFBERN CC(C)(COCC(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000348293571 475569485 /nfs/dbraw/zinc/56/94/85/475569485.db2.gz OIMRPNDEKKWJBD-UHFFFAOYSA-N 0 0 328.315 2.792 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]2C(F)(F)F)c(Cl)c1 ZINC000352728823 475571410 /nfs/dbraw/zinc/57/14/10/475571410.db2.gz JOPCIURBKMNACF-SECBINFHSA-N 0 0 344.698 2.574 10 5 EFBERN CC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342242073 475578602 /nfs/dbraw/zinc/57/86/02/475578602.db2.gz WFYQXRWGDPRBTQ-ZWNOBZJWSA-N 0 0 333.388 2.746 10 5 EFBERN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cn[nH]c1 ZINC000339878203 475586080 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COc1cc2c(cc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)OCO2 ZINC000352770528 475606861 /nfs/dbraw/zinc/60/68/61/475606861.db2.gz MJSSVSSPTQUFNN-SNVBAGLBSA-N 0 0 344.323 2.823 10 5 EFBERN CC[C@H](NC(=O)NCCCOC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000338124170 475607220 /nfs/dbraw/zinc/60/72/20/475607220.db2.gz SMDPWYPRKZBXFB-LBPRGKRZSA-N 0 0 331.319 2.974 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@](C)(c3ccccc3)C2)n1 ZINC000342554521 475611714 /nfs/dbraw/zinc/61/17/14/475611714.db2.gz UUKVUNGDGFVASW-SFHVURJKSA-N 0 0 341.367 2.944 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnc2cnccc2c1 ZINC000338144424 475624233 /nfs/dbraw/zinc/62/42/33/475624233.db2.gz WLMBXYRRGUEMMO-UHFFFAOYSA-N 0 0 336.351 2.853 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2ccc(OC)c(OC)c2)c1[N+](=O)[O-] ZINC000339971786 475652211 /nfs/dbraw/zinc/65/22/11/475652211.db2.gz BUBOKCOVZWZWFA-UHFFFAOYSA-N 0 0 347.327 2.846 10 5 EFBERN O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000352848093 475652925 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Cc1ccc(NC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1[N+](=O)[O-] ZINC000348449905 475672340 /nfs/dbraw/zinc/67/23/40/475672340.db2.gz OAAPVEOBWVEGQW-ZDUSSCGKSA-N 0 0 331.332 2.544 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1c2c(nn1C)CCCC2 ZINC000361704924 475682181 /nfs/dbraw/zinc/68/21/81/475682181.db2.gz MJGAKMZHLCNRSB-UHFFFAOYSA-N 0 0 343.387 2.837 10 5 EFBERN CC1(C)[C@H](O)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000361704744 475682463 /nfs/dbraw/zinc/68/24/63/475682463.db2.gz LAGBOSARMFIUMN-LLVKDONJSA-N 0 0 347.293 2.991 10 5 EFBERN COc1cc(C(=O)N2CCOc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000358447609 475686544 /nfs/dbraw/zinc/68/65/44/475686544.db2.gz KDIFZTABFDPXOP-UHFFFAOYSA-N 0 0 344.323 2.651 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cn1 ZINC000343013563 475698772 /nfs/dbraw/zinc/69/87/72/475698772.db2.gz XPOXVRAZOLNUEY-UHFFFAOYSA-N 0 0 349.778 2.555 10 5 EFBERN CCOC(=O)C1(COC)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343033203 475710103 /nfs/dbraw/zinc/71/01/03/475710103.db2.gz IQVMKUAKDYGHPR-UHFFFAOYSA-N 0 0 340.351 2.530 10 5 EFBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000355165628 475711913 /nfs/dbraw/zinc/71/19/13/475711913.db2.gz PDCINKNOHSXPOE-UGSOOPFHSA-N 0 0 349.431 2.700 10 5 EFBERN COc1cccc(C[C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000358480559 475712562 /nfs/dbraw/zinc/71/25/62/475712562.db2.gz QMOSXWSEPGZMGY-ZDUSSCGKSA-N 0 0 328.368 2.893 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]2COCC[C@H]21 ZINC000346627773 475713390 /nfs/dbraw/zinc/71/33/90/475713390.db2.gz VCDHTGVIFBSVKM-IUODEOHRSA-N 0 0 341.367 2.784 10 5 EFBERN Cc1n[nH]c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000353152520 475723774 /nfs/dbraw/zinc/72/37/74/475723774.db2.gz OIYFGJOWZIYJFO-NSHDSACASA-N 0 0 334.763 2.909 10 5 EFBERN CN(C[C@H]1CCCO1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000355184718 475725476 /nfs/dbraw/zinc/72/54/76/475725476.db2.gz URUPPASYGWFEEH-SNVBAGLBSA-N 0 0 343.177 2.608 10 5 EFBERN COc1cccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000358511697 475738332 /nfs/dbraw/zinc/73/83/32/475738332.db2.gz ULXLDAYDKKFGGW-VIFPVBQESA-N 0 0 342.398 2.704 10 5 EFBERN CCCN(C[C@H]1CCCCO1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361781159 475746799 /nfs/dbraw/zinc/74/67/99/475746799.db2.gz KWRSKLNFCWRZTD-OAHLLOKOSA-N 0 0 349.431 2.839 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)[C@H](O)C(F)F ZINC000297414063 475748499 /nfs/dbraw/zinc/74/84/99/475748499.db2.gz NMCNXXNDGDSCID-JQWIXIFHSA-N 0 0 331.319 2.683 10 5 EFBERN CN(C)C(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)nc1 ZINC000348555483 475756325 /nfs/dbraw/zinc/75/63/25/475756325.db2.gz VVPDLXUXCXVUQJ-UHFFFAOYSA-N 0 0 348.746 2.597 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](c2cccnc2)C2CC2)c1 ZINC000340098409 475758309 /nfs/dbraw/zinc/75/83/09/475758309.db2.gz BGLKOGXNFHAGIE-INIZCTEOSA-N 0 0 347.396 2.561 10 5 EFBERN O=C(NC[C@@H](CO)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355231549 475765257 /nfs/dbraw/zinc/76/52/57/475765257.db2.gz GSCYICUBKYZLEQ-ZDUSSCGKSA-N 0 0 339.351 2.582 10 5 EFBERN C[C@H](NC(=O)N1CCOC[C@@H]1CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000297463089 475767101 /nfs/dbraw/zinc/76/71/01/475767101.db2.gz CNOXFXDERCHKAH-GWCFXTLKSA-N 0 0 343.330 2.721 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](c1cccnc1)C1CC1 ZINC000340112659 475767908 /nfs/dbraw/zinc/76/79/08/475767908.db2.gz QLPYYNQZAICCRT-INIZCTEOSA-N 0 0 326.356 2.940 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC(C(C)(C)C)C1 ZINC000343101199 475768931 /nfs/dbraw/zinc/76/89/31/475768931.db2.gz GKNWBJIIWRIVKU-UHFFFAOYSA-N 0 0 333.388 2.783 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(c2c[nH]cn2)CC1 ZINC000355237483 475769791 /nfs/dbraw/zinc/76/97/91/475769791.db2.gz XNASJWYEWJQBGM-UHFFFAOYSA-N 0 0 339.355 2.819 10 5 EFBERN COc1c(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000358560461 475771037 /nfs/dbraw/zinc/77/10/37/475771037.db2.gz LZMBZFSLJSSATB-SMDDNHRTSA-N 0 0 326.299 2.721 10 5 EFBERN CNc1c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000358565216 475776535 /nfs/dbraw/zinc/77/65/35/475776535.db2.gz LHJBOBFXEVUQCM-RISCZKNCSA-N 0 0 325.315 2.754 10 5 EFBERN Cc1c(C(=O)NCCCc2nc(C(C)C)no2)cccc1[N+](=O)[O-] ZINC000340125618 475776982 /nfs/dbraw/zinc/77/69/82/475776982.db2.gz KUZHJDZQBHNALB-UHFFFAOYSA-N 0 0 332.360 2.772 10 5 EFBERN CC(C)O[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000361821586 475781914 /nfs/dbraw/zinc/78/19/14/475781914.db2.gz TYCNQMYCDCKXNX-UWVGGRQHSA-N 0 0 348.446 2.527 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CSC)cc2)n1 ZINC000343120758 475786491 /nfs/dbraw/zinc/78/64/91/475786491.db2.gz UZJMSRUDLXHDJO-UHFFFAOYSA-N 0 0 334.401 2.604 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)C2CC2)n1 ZINC000348638693 475793067 /nfs/dbraw/zinc/79/30/67/475793067.db2.gz FFSSNUORBFVFFY-AWEZNQCLSA-N 0 0 328.372 2.735 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccn(Cc4ccccc4)n3)nc2c1 ZINC000343137546 475800891 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CC[C@H](C)n1ncc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1C ZINC000358643237 475830451 /nfs/dbraw/zinc/83/04/51/475830451.db2.gz UYSCJSYUTDAKKP-VIFPVBQESA-N 0 0 342.359 2.621 10 5 EFBERN CO[C@@H]1COCC[C@H]1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000297630881 475835408 /nfs/dbraw/zinc/83/54/08/475835408.db2.gz DATQUPDXOQRXRK-XHDPSFHLSA-N 0 0 345.355 2.523 10 5 EFBERN CO[C@H]1COCC[C@@H]1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000297630866 475835861 /nfs/dbraw/zinc/83/58/61/475835861.db2.gz DATQUPDXOQRXRK-ABAIWWIYSA-N 0 0 345.355 2.523 10 5 EFBERN CC(C)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000338377036 475840943 /nfs/dbraw/zinc/84/09/43/475840943.db2.gz NPSIMBLTGCOOMJ-OAHLLOKOSA-N 0 0 339.355 2.765 10 5 EFBERN Cc1noc([C@@H](C)NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000348737373 475841382 /nfs/dbraw/zinc/84/13/82/475841382.db2.gz WYMOBVSIEMIGMH-ZCFIWIBFSA-N 0 0 344.249 2.796 10 5 EFBERN Nc1c(F)c(NC2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000348743085 475844351 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348.399 2.921 10 5 EFBERN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000450474141 477599754 /nfs/dbraw/zinc/59/97/54/477599754.db2.gz JDHGLKGRGRVQPP-DZGCQCFKSA-N 0 0 333.388 2.938 10 5 EFBERN COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372013037 477600412 /nfs/dbraw/zinc/60/04/12/477600412.db2.gz KQAQEIBFUTXPNY-HNNXBMFYSA-N 0 0 327.340 2.976 10 5 EFBERN CC1(C)CC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc2O1 ZINC000367638695 477614023 /nfs/dbraw/zinc/61/40/23/477614023.db2.gz PTPWBHNDLRQENU-UHFFFAOYSA-N 0 0 341.323 2.986 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCc1cc(C)no1 ZINC000450538689 477624375 /nfs/dbraw/zinc/62/43/75/477624375.db2.gz ZQPUJRACHIZNPY-UHFFFAOYSA-N 0 0 328.328 2.525 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)NC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000455419965 477625267 /nfs/dbraw/zinc/62/52/67/477625267.db2.gz SAKZEJPNAFPMRM-QGZVFWFLSA-N 0 0 348.403 2.683 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCOCC4)[C@@H]3C3CC3)nc2c1 ZINC000450545507 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2.619 10 5 EFBERN CC[C@@](CNc1ccc([N+](=O)[O-])nc1)(C(=O)OC)c1ccccc1 ZINC000413615781 477752620 /nfs/dbraw/zinc/75/26/20/477752620.db2.gz YFLDYOZVYNICKI-KRWDZBQOSA-N 0 0 329.356 2.923 10 5 EFBERN CC[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Oc1cccc(C)c1 ZINC000426888587 477756702 /nfs/dbraw/zinc/75/67/02/477756702.db2.gz AORQCBHTNKJBNJ-CYBMUJFWSA-N 0 0 344.371 2.667 10 5 EFBERN CON(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCCOc2ccccc21 ZINC000372335448 477761609 /nfs/dbraw/zinc/76/16/09/477761609.db2.gz WXFGNRMDJATHON-HNNXBMFYSA-N 0 0 343.339 2.907 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1C[C@H]1C1CC1 ZINC000450930191 477765006 /nfs/dbraw/zinc/76/50/06/477765006.db2.gz VYFYXGTTWHCFTP-HOTGVXAUSA-N 0 0 331.416 2.885 10 5 EFBERN CCO[C@@H]1CCCC[C@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000450945451 477770932 /nfs/dbraw/zinc/77/09/32/477770932.db2.gz ZOTLQHRAARSREZ-CHWSQXEVSA-N 0 0 337.376 2.844 10 5 EFBERN COC[C@H]1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000450951645 477771928 /nfs/dbraw/zinc/77/19/28/477771928.db2.gz XZUVCYNCHNGPHW-AWEZNQCLSA-N 0 0 349.431 2.986 10 5 EFBERN CCOC(=O)C[C@@H]1C[C@H](OC)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000372359290 477772356 /nfs/dbraw/zinc/77/23/56/477772356.db2.gz UPEQVELHCRSDCA-RYUDHWBXSA-N 0 0 342.779 2.795 10 5 EFBERN O=C(Nc1cccc2c1OCCC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000368019395 477779320 /nfs/dbraw/zinc/77/93/20/477779320.db2.gz JTCSUENBEOOLJI-UHFFFAOYSA-N 0 0 342.307 2.901 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2Cc2ccccc2C)n1 ZINC000427854405 477781450 /nfs/dbraw/zinc/78/14/50/477781450.db2.gz YYOSFWYHSORCPW-HNNXBMFYSA-N 0 0 342.399 2.967 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000459199339 477789210 /nfs/dbraw/zinc/78/92/10/477789210.db2.gz QMMBSCWBGZZHTJ-OAHLLOKOSA-N 0 0 333.388 2.694 10 5 EFBERN C[C@@](CO)(NCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000451041305 477799000 /nfs/dbraw/zinc/79/90/00/477799000.db2.gz MUVLMRFPNIOQJV-INIZCTEOSA-N 0 0 338.310 2.576 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccc4c(c3)OCCCO4)nc2c1 ZINC000427993847 477800610 /nfs/dbraw/zinc/80/06/10/477800610.db2.gz PZEVPZYHYSUCER-UHFFFAOYSA-N 0 0 340.339 2.666 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000438133912 477801095 /nfs/dbraw/zinc/80/10/95/477801095.db2.gz FDIFXGZDDFNXGN-UHFFFAOYSA-N 0 0 333.294 2.775 10 5 EFBERN CCOc1ccc(C(=O)NCCc2ncccc2C)cc1[N+](=O)[O-] ZINC000456156064 477802078 /nfs/dbraw/zinc/80/20/78/477802078.db2.gz SJOIXVMYKFLGTB-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000456176630 477807873 /nfs/dbraw/zinc/80/78/73/477807873.db2.gz YJGQEGLDZRFCLD-CVEARBPZSA-N 0 0 345.399 2.720 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC2CC2)c2ccc(OC)cc2)n1 ZINC000456175276 477808482 /nfs/dbraw/zinc/80/84/82/477808482.db2.gz IXKMXXVTDMMKCI-UHFFFAOYSA-N 0 0 344.371 2.877 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc2cc(F)ccc2[nH]1 ZINC000428037593 477809862 /nfs/dbraw/zinc/80/98/62/477809862.db2.gz KJHGGRPXKWCQQO-UHFFFAOYSA-N 0 0 329.291 2.661 10 5 EFBERN CCOc1ccc(C(=O)N2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000456190200 477813072 /nfs/dbraw/zinc/81/30/72/477813072.db2.gz WKMWFOWJARTKNN-CQSZACIVSA-N 0 0 336.413 2.961 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000428084966 477818052 /nfs/dbraw/zinc/81/80/52/477818052.db2.gz QNNPRBUCAFOVLV-YABSGUDNSA-N 0 0 339.189 2.815 10 5 EFBERN CCn1nc(C)c(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1C ZINC000459984777 477834100 /nfs/dbraw/zinc/83/41/00/477834100.db2.gz IDWQZWLBIXNXRV-LLVKDONJSA-N 0 0 342.399 2.948 10 5 EFBERN O=C(NC12CCC(CC1)CC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000456240158 477834226 /nfs/dbraw/zinc/83/42/26/477834226.db2.gz DEGYNECCOLIFEQ-UHFFFAOYSA-N 0 0 341.371 2.628 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000428195940 477838358 /nfs/dbraw/zinc/83/83/58/477838358.db2.gz ITKVPFXGACBHPF-AWEZNQCLSA-N 0 0 336.413 2.694 10 5 EFBERN C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H](C)O1 ZINC000438416544 477838890 /nfs/dbraw/zinc/83/88/90/477838890.db2.gz FIGGFJAVJKYLJT-HZSPNIEDSA-N 0 0 335.404 2.811 10 5 EFBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1ncc(Cl)s1)CCCC2 ZINC000515648183 477848881 /nfs/dbraw/zinc/84/88/81/477848881.db2.gz KFDCSQKOQCLPNZ-UHFFFAOYSA-N 0 0 325.777 2.794 10 5 EFBERN CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000529855910 477855215 /nfs/dbraw/zinc/85/52/15/477855215.db2.gz RRSBYBGRCCIGIH-XLIONFOSSA-N 0 0 336.391 2.979 10 5 EFBERN COc1ccc(CC(=O)N2CCCC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000558604556 477894809 /nfs/dbraw/zinc/89/48/09/477894809.db2.gz LUQFWFFHDZBOFG-NSHDSACASA-N 0 0 328.315 2.792 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000438855336 477895233 /nfs/dbraw/zinc/89/52/33/477895233.db2.gz ZEABBSLVGAZERO-LSDHHAIUSA-N 0 0 333.388 2.553 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000438871305 477896480 /nfs/dbraw/zinc/89/64/80/477896480.db2.gz YDUSHMRMUDFABN-HZPDHXFCSA-N 0 0 347.415 2.595 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456379124 477898637 /nfs/dbraw/zinc/89/86/37/477898637.db2.gz LNJBQKQVYQZZHM-CMPLNLGQSA-N 0 0 330.344 2.626 10 5 EFBERN Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn(C)c1=O ZINC000438955858 477909776 /nfs/dbraw/zinc/90/97/76/477909776.db2.gz VEXSUWXDXNTJTK-UHFFFAOYSA-N 0 0 335.747 2.816 10 5 EFBERN CCCc1cc(=NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)[nH][nH]1 ZINC000462993367 477924094 /nfs/dbraw/zinc/92/40/94/477924094.db2.gz PRWHLSAASVOTJH-ZDUSSCGKSA-N 0 0 330.388 2.900 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456466445 477943368 /nfs/dbraw/zinc/94/33/68/477943368.db2.gz XJUBNINIFJYULL-MRXNPFEDSA-N 0 0 345.330 2.651 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439255800 477950361 /nfs/dbraw/zinc/95/03/61/477950361.db2.gz CIBGEOSKMNFHTL-LSDHHAIUSA-N 0 0 348.399 2.882 10 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/nfs/dbraw/zinc/96/89/46/477968946.db2.gz ZYHNTRPWCKILSG-UNEWFSDZSA-N 0 0 347.415 2.549 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000516663148 477972942 /nfs/dbraw/zinc/97/29/42/477972942.db2.gz FONJPHGPSJXGJN-CYBMUJFWSA-N 0 0 333.388 2.585 10 5 EFBERN Cc1ccncc1CN(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451363526 477975609 /nfs/dbraw/zinc/97/56/09/477975609.db2.gz SXAPCOCNLWPIHC-UHFFFAOYSA-N 0 0 341.367 2.920 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000456564252 477986141 /nfs/dbraw/zinc/98/61/41/477986141.db2.gz MOBRSDWDPSCHQR-AWEZNQCLSA-N 0 0 330.344 2.597 10 5 EFBERN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000532796319 477991477 /nfs/dbraw/zinc/99/14/77/477991477.db2.gz AQRZKTIPPDXTAC-SUMWQHHRSA-N 0 0 341.367 2.888 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000456596981 477999764 /nfs/dbraw/zinc/99/97/64/477999764.db2.gz PCDCITRBIBUMEN-MRXNPFEDSA-N 0 0 340.383 2.999 10 5 EFBERN CC(C)[C@@H](C)NC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000559946699 478008974 /nfs/dbraw/zinc/00/89/74/478008974.db2.gz RIEJZMGIENNOHC-SECBINFHSA-N 0 0 344.209 2.930 10 5 EFBERN CC(C)OC(=O)[C@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456620019 478011214 /nfs/dbraw/zinc/01/12/14/478011214.db2.gz UIUHMDMUTRBMMI-QMMMGPOBSA-N 0 0 348.277 2.684 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@](O)(C(F)F)C2)c1 ZINC000451425460 478011251 /nfs/dbraw/zinc/01/12/51/478011251.db2.gz HHVOXVIFGKTABY-GFCCVEGCSA-N 0 0 340.248 2.816 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(CCO)CCC1 ZINC000439890220 478043086 /nfs/dbraw/zinc/04/30/86/478043086.db2.gz ACHNRNXYZJVGBI-UHFFFAOYSA-N 0 0 337.376 2.668 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[C@H](O)CC1 ZINC000440017945 478062060 /nfs/dbraw/zinc/06/20/60/478062060.db2.gz DBUGSKDYTDEQQR-ZOBUZTSGSA-N 0 0 334.416 2.925 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1cccnc1-n1cccn1 ZINC000487906433 478083850 /nfs/dbraw/zinc/08/38/50/478083850.db2.gz IRPPKTADHDWGDK-UHFFFAOYSA-N 0 0 346.350 2.758 10 5 EFBERN CCC1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000517432691 478092663 /nfs/dbraw/zinc/09/26/63/478092663.db2.gz VBUZVUXTJDTZOT-UHFFFAOYSA-N 0 0 345.399 2.942 10 5 EFBERN C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000421487089 478105614 /nfs/dbraw/zinc/10/56/14/478105614.db2.gz YHMPEUSMABFLDC-ZBEGNZNMSA-N 0 0 346.412 2.706 10 5 EFBERN CCOc1ccc(C(=O)NCc2ccn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000517627171 478108715 /nfs/dbraw/zinc/10/87/15/478108715.db2.gz RLADRXSSAQBUAR-UHFFFAOYSA-N 0 0 332.360 2.701 10 5 EFBERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533797063 478113240 /nfs/dbraw/zinc/11/32/40/478113240.db2.gz OYCOUAFSPHZNFI-ZNMIVQPWSA-N 0 0 345.443 2.846 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1cnc(C2CC2)nc1 ZINC000488085620 478116832 /nfs/dbraw/zinc/11/68/32/478116832.db2.gz HVFZMNNKMPBCCF-UHFFFAOYSA-N 0 0 335.367 2.887 10 5 EFBERN Cc1nn(C)c(C)c1CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488115100 478119175 /nfs/dbraw/zinc/11/91/75/478119175.db2.gz VBSZFDNGCZNODC-UHFFFAOYSA-N 0 0 339.399 2.960 10 5 EFBERN Cc1sc(C(=O)NCc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000560624729 478120133 /nfs/dbraw/zinc/12/01/33/478120133.db2.gz XBNOLCLYXCDSBG-UHFFFAOYSA-N 0 0 344.352 2.544 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCC(C)(F)F)c1C ZINC000451606124 478121756 /nfs/dbraw/zinc/12/17/56/478121756.db2.gz GULHINJLIQUWRY-UHFFFAOYSA-N 0 0 336.360 2.925 10 5 EFBERN COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)ccc1O ZINC000534187066 478130067 /nfs/dbraw/zinc/13/00/67/478130067.db2.gz AEDYJKVAVJFVGH-UHFFFAOYSA-N 0 0 343.339 2.509 10 5 EFBERN C[C@@](O)(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000488355603 478140758 /nfs/dbraw/zinc/14/07/58/478140758.db2.gz XWWPPMNWQZSNSI-ZDUSSCGKSA-N 0 0 343.177 2.847 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc2ccccn2[nH]1 ZINC000561156833 478158309 /nfs/dbraw/zinc/15/83/09/478158309.db2.gz FJVJDRJNWSQZPX-UHFFFAOYSA-N 0 0 330.731 2.879 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000451718550 478175995 /nfs/dbraw/zinc/17/59/95/478175995.db2.gz QGASVSZVRFYBAK-GFCCVEGCSA-N 0 0 330.793 2.730 10 5 EFBERN O=c1[nH]cnc2cc(NCC3(C(F)(F)F)CC3)c([N+](=O)[O-])cc12 ZINC000561378752 478180829 /nfs/dbraw/zinc/18/08/29/478180829.db2.gz BRXRBGCRNXFEGL-UHFFFAOYSA-N 0 0 328.250 2.998 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)Cc1ccccc1 ZINC000440974786 478181351 /nfs/dbraw/zinc/18/13/51/478181351.db2.gz CTKPKVBQLOJDDV-NSHDSACASA-N 0 0 330.315 2.664 10 5 EFBERN CNc1ccc(C(=O)NCc2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000535029122 478187960 /nfs/dbraw/zinc/18/79/60/478187960.db2.gz FVVNNLBWEJPXNT-UHFFFAOYSA-N 0 0 339.355 2.751 10 5 EFBERN CN1CCC[C@@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1=O ZINC000451749044 478189428 /nfs/dbraw/zinc/18/94/28/478189428.db2.gz KXZJPUGQWSRRCI-LBPRGKRZSA-N 0 0 333.388 2.699 10 5 EFBERN COCCN(Cc1scnc1C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000488847091 478191723 /nfs/dbraw/zinc/19/17/23/478191723.db2.gz XPWUYJSOVUGOIF-UHFFFAOYSA-N 0 0 349.412 2.957 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451762386 478194128 /nfs/dbraw/zinc/19/41/28/478194128.db2.gz ISQMRKQIDMJJCL-RMRKRWHISA-N 0 0 348.424 2.736 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2cc(F)ccc2[nH]1 ZINC000488899082 478197568 /nfs/dbraw/zinc/19/75/68/478197568.db2.gz NNYZWVLGXJKHGP-UHFFFAOYSA-N 0 0 330.275 2.628 10 5 EFBERN COc1cccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1[N+](=O)[O-] ZINC000488897882 478197757 /nfs/dbraw/zinc/19/77/57/478197757.db2.gz NAUBASXLNKUDER-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)C1CCC1 ZINC000451808748 478210927 /nfs/dbraw/zinc/21/09/27/478210927.db2.gz GRIJDJFCAYMHOS-UHFFFAOYSA-N 0 0 342.417 2.708 10 5 EFBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@H]2C1 ZINC000535719075 478221371 /nfs/dbraw/zinc/22/13/71/478221371.db2.gz QSTCSBDLXQPTPS-OAUYIBNBSA-N 0 0 343.383 2.916 10 5 EFBERN COC[C@@H]1CCN(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451856250 478226176 /nfs/dbraw/zinc/22/61/76/478226176.db2.gz SNQQVULWPBBKMX-GDBMZVCRSA-N 0 0 347.415 2.863 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCOCC1CCC1 ZINC000562278936 478226785 /nfs/dbraw/zinc/22/67/85/478226785.db2.gz NUNQJXDPVWKHID-UHFFFAOYSA-N 0 0 331.372 2.552 10 5 EFBERN C[C@@H]1[C@@H](C)N(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1C ZINC000562484125 478255624 /nfs/dbraw/zinc/25/56/24/478255624.db2.gz SEXMPRKYGVKQGC-ZIAGYGMSSA-N 0 0 349.434 2.846 10 5 EFBERN Cc1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cn3C)CCO2)ccc1F ZINC000536549805 478256915 /nfs/dbraw/zinc/25/69/15/478256915.db2.gz IQAGGIWSZHAYBX-INIZCTEOSA-N 0 0 347.346 2.595 10 5 EFBERN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)O1 ZINC000594204544 478271936 /nfs/dbraw/zinc/27/19/36/478271936.db2.gz RHHDQSVPHIEIIV-AWEZNQCLSA-N 0 0 348.399 2.924 10 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/nfs/dbraw/zinc/27/87/58/478278758.db2.gz KJWQTPAXVQJHQP-QGZVFWFLSA-N 0 0 341.367 2.785 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594216243 478278981 /nfs/dbraw/zinc/27/89/81/478278981.db2.gz KSSIUDRIPHYJJU-CTYIDZIISA-N 0 0 335.404 2.783 10 5 EFBERN CNc1c(C(=O)N[C@@H]2COc3cccc(C)c3C2)cccc1[N+](=O)[O-] ZINC000600207717 478283600 /nfs/dbraw/zinc/28/36/00/478283600.db2.gz AXHRPHPUUZBTSL-LBPRGKRZSA-N 0 0 341.367 2.678 10 5 EFBERN COC(=O)[C@H](C[C@@H]1CCCOC1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000600206776 478283989 /nfs/dbraw/zinc/28/39/89/478283989.db2.gz GIEXCODTKOTICF-SLMWNZGVSA-N 0 0 348.399 2.556 10 5 EFBERN Cc1cccc2c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CO2 ZINC000600208426 478285314 /nfs/dbraw/zinc/28/53/14/478285314.db2.gz DKDMTMZPRAFRPQ-CQSZACIVSA-N 0 0 326.352 2.945 10 5 EFBERN COC[C@H](CC(C)(C)C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000594228637 478285810 /nfs/dbraw/zinc/28/58/10/478285810.db2.gz FQAIAQMEIZZKKL-AWEZNQCLSA-N 0 0 337.420 2.888 10 5 EFBERN Cc1cccc2c1C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC000600209384 478286849 /nfs/dbraw/zinc/28/68/49/478286849.db2.gz GFZBESFOPMIDTM-CQSZACIVSA-N 0 0 326.352 2.566 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COc3cccc(C)c3C2)c1 ZINC000600211311 478287717 /nfs/dbraw/zinc/28/77/17/478287717.db2.gz RJGSGSHSTSLBHC-CYBMUJFWSA-N 0 0 326.352 2.945 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2cccc(C)c2C1 ZINC000600211268 478287861 /nfs/dbraw/zinc/28/78/61/478287861.db2.gz QHDBGCQKKXWAPI-LBPRGKRZSA-N 0 0 342.351 2.645 10 5 EFBERN COc1c(C)cccc1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000594234509 478292134 /nfs/dbraw/zinc/29/21/34/478292134.db2.gz YGCJVJJHDGAFSS-UHFFFAOYSA-N 0 0 343.383 2.954 10 5 EFBERN CC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594234891 478292665 /nfs/dbraw/zinc/29/26/65/478292665.db2.gz PHNIXBFDAJYFIF-HOTGVXAUSA-N 0 0 335.404 2.784 10 5 EFBERN COc1cc(C(=O)N2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000590701820 478300434 /nfs/dbraw/zinc/30/04/34/478300434.db2.gz IBBSIVUEALTJIF-QMMMGPOBSA-N 0 0 348.277 2.586 10 5 EFBERN CC[C@H](NC(=O)CC1CCN(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000597349238 478305474 /nfs/dbraw/zinc/30/54/74/478305474.db2.gz MQWFUSDICWTJHI-INIZCTEOSA-N 0 0 335.404 2.826 10 5 EFBERN COC(=O)c1cncnc1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590717449 478306022 /nfs/dbraw/zinc/30/60/22/478306022.db2.gz QOLSCDHHTYFJHL-ZDUSSCGKSA-N 0 0 342.355 2.555 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000597348147 478306396 /nfs/dbraw/zinc/30/63/96/478306396.db2.gz FSBZCZZHYOIQJA-WCQYABFASA-N 0 0 328.372 2.609 10 5 EFBERN CC[C@H](NC(=O)CCc1cc(OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000597352960 478307226 /nfs/dbraw/zinc/30/72/26/478307226.db2.gz ZUBOPPAAIDWHJI-AWEZNQCLSA-N 0 0 333.344 2.792 10 5 EFBERN COCC1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000594260787 478307992 /nfs/dbraw/zinc/30/79/92/478307992.db2.gz GCQGZILXDKULRF-UHFFFAOYSA-N 0 0 333.388 2.695 10 5 EFBERN Nc1cc(NC2CCC(OC(F)F)CC2)cc(CO)c1[N+](=O)[O-] ZINC000590736022 478311988 /nfs/dbraw/zinc/31/19/88/478311988.db2.gz UYKKKMWQQWPJDE-UHFFFAOYSA-N 0 0 331.319 2.632 10 5 EFBERN O=C(Cc1ccc(Cl)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000537578926 478313334 /nfs/dbraw/zinc/31/33/34/478313334.db2.gz ZQNZRKFFDGJXBB-UHFFFAOYSA-N 0 0 331.759 2.771 10 5 EFBERN COc1ccc(CC(=O)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000537583760 478313513 /nfs/dbraw/zinc/31/35/13/478313513.db2.gz LLPMBKGLNMFGDN-VMPITWQZSA-N 0 0 326.352 2.976 10 5 EFBERN COc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000600271610 478317761 /nfs/dbraw/zinc/31/77/61/478317761.db2.gz LQTGDEMNKYXGRB-OLZOCXBDSA-N 0 0 336.413 2.642 10 5 EFBERN CC1(C)CC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000600303215 478328612 /nfs/dbraw/zinc/32/86/12/478328612.db2.gz CBZVIUAZOYVJTG-JKSUJKDBSA-N 0 0 330.384 2.916 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000600303528 478328652 /nfs/dbraw/zinc/32/86/52/478328652.db2.gz XYYVNWRIOQZTHO-MRXNPFEDSA-N 0 0 326.356 2.964 10 5 EFBERN CNc1ccc(C(=O)N2CCC3(CCC(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000590767305 478328757 /nfs/dbraw/zinc/32/87/57/478328757.db2.gz HLMCZBYWGINJHV-UHFFFAOYSA-N 0 0 347.415 2.794 10 5 EFBERN Cc1c(-c2noc(C3C[C@@H]4COC[C@H](C3)C4=O)n2)cccc1[N+](=O)[O-] ZINC000590778958 478334636 /nfs/dbraw/zinc/33/46/36/478334636.db2.gz VQKBOFKVXLJKER-YOGCLGLASA-N 0 0 343.339 2.662 10 5 EFBERN O=C(C[C@@H]1OCc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000594336693 478335097 /nfs/dbraw/zinc/33/50/97/478335097.db2.gz UMZQMMVXWMIQCQ-KRWDZBQOSA-N 0 0 339.351 2.536 10 5 EFBERN CCOCCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC1CC1 ZINC000597409807 478336516 /nfs/dbraw/zinc/33/65/16/478336516.db2.gz SKJGAZKBDAZEOW-UHFFFAOYSA-N 0 0 345.403 2.736 10 5 EFBERN CCC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC(F)(F)CC1 ZINC000597411178 478338128 /nfs/dbraw/zinc/33/81/28/478338128.db2.gz UWKOJKSQIOGWKZ-UHFFFAOYSA-N 0 0 330.335 2.513 10 5 EFBERN COc1cc(C(=O)N2CC[C@@H](c3cc(C)ccn3)C2)ccc1[N+](=O)[O-] ZINC000594367889 478345100 /nfs/dbraw/zinc/34/51/00/478345100.db2.gz DMECHEUVBMUKTK-CQSZACIVSA-N 0 0 341.367 2.937 10 5 EFBERN CC(C)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000594375643 478349682 /nfs/dbraw/zinc/34/96/82/478349682.db2.gz FZOAODQDGIHRAR-KRWDZBQOSA-N 0 0 332.400 2.607 10 5 EFBERN Cc1cc(C(=O)N[C@H](C(C)C)C2(CO)CC=CC2)ccc1[N+](=O)[O-] ZINC000594375923 478350615 /nfs/dbraw/zinc/35/06/15/478350615.db2.gz LQYHCNKVPZXJKB-MRXNPFEDSA-N 0 0 332.400 2.986 10 5 EFBERN CC(C)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000594377161 478351380 /nfs/dbraw/zinc/35/13/80/478351380.db2.gz VDEUTRKHGIECHZ-QGZVFWFLSA-N 0 0 332.400 2.607 10 5 EFBERN COc1c(C(=O)N[C@]2(CO)CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000600362161 478351990 /nfs/dbraw/zinc/35/19/90/478351990.db2.gz LAICEXIHDDTTNE-QGZVFWFLSA-N 0 0 336.388 2.665 10 5 EFBERN CC(C)(C)OC(=O)c1cncc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000594383108 478352980 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CCC(F)(F)C(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000600387668 478359894 /nfs/dbraw/zinc/35/98/94/478359894.db2.gz KBFNBWAJQOBWGO-UHFFFAOYSA-N 0 0 332.351 2.678 10 5 EFBERN CC[C@H](C)C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C(=O)OC ZINC000570446756 478361140 /nfs/dbraw/zinc/36/11/40/478361140.db2.gz DKYMAOKWIBSGBF-WCBMZHEXSA-N 0 0 338.389 2.989 10 5 EFBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@H]1CC=CCC1 ZINC000600393858 478361373 /nfs/dbraw/zinc/36/13/73/478361373.db2.gz NDOLJSJATHIPGU-UONOGXRCSA-N 0 0 349.435 2.690 10 5 EFBERN O=C(NCC[C@H]1CC=CCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600391930 478361434 /nfs/dbraw/zinc/36/14/34/478361434.db2.gz DZVCLPZADSAXMX-LBPRGKRZSA-N 0 0 332.356 2.842 10 5 EFBERN CNc1ccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594400195 478364492 /nfs/dbraw/zinc/36/44/92/478364492.db2.gz XCYVBZRFMUMUFU-JKSUJKDBSA-N 0 0 333.388 2.714 10 5 EFBERN C[C@H]1Cc2cc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)ccc2O1 ZINC000597473750 478370189 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Cc1nn(CCC(=O)N[C@@H]2C[C@H]2c2ccsc2)c(C)c1[N+](=O)[O-] ZINC000600442364 478376435 /nfs/dbraw/zinc/37/64/35/478376435.db2.gz YIUSIXUNYRUYSX-QWHCGFSZSA-N 0 0 334.401 2.532 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600439574 478376733 /nfs/dbraw/zinc/37/67/33/478376733.db2.gz HWVUBBNLAVQCEK-YDEXJTGXSA-N 0 0 344.314 2.738 10 5 EFBERN COC(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc([N+](=O)[O-])c1 ZINC000600440641 478376945 /nfs/dbraw/zinc/37/69/45/478376945.db2.gz QKQQOQBAIKPUEX-UONOGXRCSA-N 0 0 346.364 2.729 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600442541 478377179 /nfs/dbraw/zinc/37/71/79/478377179.db2.gz RLJMWJAOCHTMGY-KIGUWFBYSA-N 0 0 329.356 2.685 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600443170 478378403 /nfs/dbraw/zinc/37/84/03/478378403.db2.gz GTTCMIOEJZMLHY-DJQAVVSRSA-N 0 0 333.388 2.711 10 5 EFBERN 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QQZRQBZUNFXTPY-UHFFFAOYSA-N 0 0 342.751 2.960 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](C(F)F)C2)c(F)c1N1CCOCC1 ZINC000594585027 478448801 /nfs/dbraw/zinc/44/88/01/478448801.db2.gz OADOMEGQNZFHLF-JTQLQIEISA-N 0 0 345.321 2.662 10 5 EFBERN CC1(C)OC[C@H]2C[C@]21C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597657177 478450358 /nfs/dbraw/zinc/45/03/58/478450358.db2.gz BVJNDZUDPDBGIX-KZULUSFZSA-N 0 0 343.383 2.550 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1cnc(C(F)(F)F)nc1 ZINC000594586956 478450936 /nfs/dbraw/zinc/45/09/36/478450936.db2.gz PDXYUQCGMVEWCF-UHFFFAOYSA-N 0 0 330.270 2.541 10 5 EFBERN C[C@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCO1 ZINC000597659345 478451003 /nfs/dbraw/zinc/45/10/03/478451003.db2.gz NMOYFZGFUKMZIZ-SJKOYZFVSA-N 0 0 345.399 2.940 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](C2CC2)[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594592045 478452583 /nfs/dbraw/zinc/45/25/83/478452583.db2.gz XTBZSNVLVLXHCQ-KBPBESRZSA-N 0 0 349.387 2.926 10 5 EFBERN CC(=O)c1cc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591801 478452665 /nfs/dbraw/zinc/45/26/65/478452665.db2.gz LEMIKKINWBTMRG-UPJWGTAASA-N 0 0 335.404 2.707 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H]1C(F)(F)F ZINC000597664764 478454202 /nfs/dbraw/zinc/45/42/02/478454202.db2.gz ITRMTGJDRLIBKW-LBPRGKRZSA-N 0 0 340.261 2.557 10 5 EFBERN COc1cc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000594592800 478454243 /nfs/dbraw/zinc/45/42/43/478454243.db2.gz XPHSCSYENVLRDP-SDDRHHMPSA-N 0 0 341.383 2.652 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(C)c2OC)n1 ZINC000594595807 478455498 /nfs/dbraw/zinc/45/54/98/478455498.db2.gz KWKSXINZWTWAMF-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN COC[C@H](CC(C)(C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000594597122 478455672 /nfs/dbraw/zinc/45/56/72/478455672.db2.gz DJWATBQMMSXDLB-NSHDSACASA-N 0 0 344.433 2.861 10 5 EFBERN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000540008733 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IYDKRKLRTBUAMX-INIZCTEOSA-N 0 0 331.372 2.671 10 5 EFBERN CCOC(=O)C1CCC(CC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000563162730 478465943 /nfs/dbraw/zinc/46/59/43/478465943.db2.gz AIGCOUKAPNMKLJ-UHFFFAOYSA-N 0 0 348.399 2.971 10 5 EFBERN CCN1c2ccccc2N(CCc2ccc([N+](=O)[O-])cc2)S1(=O)=O ZINC000600679368 478466961 /nfs/dbraw/zinc/46/69/61/478466961.db2.gz IORRXONGVPRZDX-UHFFFAOYSA-N 0 0 347.396 2.729 10 5 EFBERN C[C@@H]1CCCC[C@@H]1N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600681394 478467189 /nfs/dbraw/zinc/46/71/89/478467189.db2.gz IQVYJJOMXBXLEW-WHCBVINPSA-N 0 0 331.372 2.941 10 5 EFBERN CC1(C)CCC[C@]2(C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C2=O ZINC000600682704 478467779 /nfs/dbraw/zinc/46/77/79/478467779.db2.gz IWKFNECQYYCEAJ-QGZVFWFLSA-N 0 0 331.372 2.986 10 5 EFBERN C[C@@H]1CCC[C@@H](N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000600686770 478469062 /nfs/dbraw/zinc/46/90/62/478469062.db2.gz RVECERMSXDAZFB-CJBNDPTMSA-N 0 0 331.372 2.941 10 5 EFBERN CSCCCCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600690415 478470857 /nfs/dbraw/zinc/47/08/57/478470857.db2.gz KKYXMOOAWOGNCN-HNNXBMFYSA-N 0 0 337.401 2.505 10 5 EFBERN COC(=O)c1cc(CNCc2cc([N+](=O)[O-])ccc2OC)c(C)o1 ZINC000594615630 478472000 /nfs/dbraw/zinc/47/20/00/478472000.db2.gz SHGFSXFWXSRMLL-UHFFFAOYSA-N 0 0 334.328 2.581 10 5 EFBERN CC1(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCCC1 ZINC000600696048 478472311 /nfs/dbraw/zinc/47/23/11/478472311.db2.gz OXDLIYKSADLQAC-KRWDZBQOSA-N 0 0 331.372 2.942 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC(c3nnc4ccccn43)CC2)c(F)c1 ZINC000591136919 478472935 /nfs/dbraw/zinc/47/29/35/478472935.db2.gz UKAOSOIWGMGCLS-UHFFFAOYSA-N 0 0 342.334 2.556 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCC(F)(F)C2)C1=O ZINC000600693256 478473137 /nfs/dbraw/zinc/47/31/37/478473137.db2.gz FNKWGVHWQYUFOQ-SMDDNHRTSA-N 0 0 339.298 2.550 10 5 EFBERN Cc1ccccc1[C@H](CO)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540399174 478473770 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WXCJGYKTKPMLEA-UHFFFAOYSA-N 0 0 332.364 2.554 10 5 EFBERN O=C1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000591169429 478482252 /nfs/dbraw/zinc/48/22/52/478482252.db2.gz YEOWCZSLZRLMMU-XHDPSFHLSA-N 0 0 326.356 2.708 10 5 EFBERN O=C1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000591169428 478482330 /nfs/dbraw/zinc/48/23/30/478482330.db2.gz YEOWCZSLZRLMMU-NHYWBVRUSA-N 0 0 326.356 2.708 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597729103 478483288 /nfs/dbraw/zinc/48/32/88/478483288.db2.gz ANRXFGROGDPRCA-OAHLLOKOSA-N 0 0 325.328 2.777 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729102 478483316 /nfs/dbraw/zinc/48/33/16/478483316.db2.gz ANRXFGROGDPRCA-HNNXBMFYSA-N 0 0 325.328 2.777 10 5 EFBERN COc1cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)ccn1 ZINC000597727488 478483434 /nfs/dbraw/zinc/48/34/34/478483434.db2.gz MOLKUOBTSNOBID-UHFFFAOYSA-N 0 0 344.371 3.000 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729682 478484750 /nfs/dbraw/zinc/48/47/50/478484750.db2.gz MWBNLZAPJQHPHT-AWEZNQCLSA-N 0 0 334.763 2.878 10 5 EFBERN CN1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000582000597 478487167 /nfs/dbraw/zinc/48/71/67/478487167.db2.gz SOWZOFIMBNPEQJ-SECBINFHSA-N 0 0 334.344 2.619 10 5 EFBERN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC000594696391 478501362 /nfs/dbraw/zinc/50/13/62/478501362.db2.gz HZCCGYSHNUEDBK-UHFFFAOYSA-N 0 0 348.380 2.777 10 5 EFBERN CN1CCc2c(NCCc3ccc([N+](=O)[O-])cc3)cccc2C1=O ZINC000594707152 478504760 /nfs/dbraw/zinc/50/47/60/478504760.db2.gz JGBRRISULFULMZ-UHFFFAOYSA-N 0 0 325.368 2.878 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC(Cc2cccs2)C1 ZINC000600764484 478509407 /nfs/dbraw/zinc/50/94/07/478509407.db2.gz QZFNUQYZYUIQSG-UHFFFAOYSA-N 0 0 346.364 2.700 10 5 EFBERN Nc1c(C(=O)N2CC(Cc3cccs3)C2)cc(F)cc1[N+](=O)[O-] ZINC000600763189 478510282 /nfs/dbraw/zinc/51/02/82/478510282.db2.gz JJSKQKNNZFUEJS-UHFFFAOYSA-N 0 0 335.360 2.692 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CC(Cc2cccs2)C1 ZINC000600765341 478511258 /nfs/dbraw/zinc/51/12/58/478511258.db2.gz ZTVLIEDHWMFSQN-UHFFFAOYSA-N 0 0 332.381 2.736 10 5 EFBERN COc1ccc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600771445 478512212 /nfs/dbraw/zinc/51/22/12/478512212.db2.gz FVTZRSLHLOYVPZ-AWEZNQCLSA-N 0 0 342.351 2.939 10 5 EFBERN COc1cccc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000600774437 478513533 /nfs/dbraw/zinc/51/35/33/478513533.db2.gz KLNLVNGYLLHMER-ZDUSSCGKSA-N 0 0 342.351 2.939 10 5 EFBERN COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000600775384 478515174 /nfs/dbraw/zinc/51/51/74/478515174.db2.gz MFNLKBARXCZKGM-GFCCVEGCSA-N 0 0 345.330 2.767 10 5 EFBERN COc1c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC000600777484 478515603 /nfs/dbraw/zinc/51/56/03/478515603.db2.gz UQPDRJISAZZQKH-CYBMUJFWSA-N 0 0 342.351 2.939 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2cnn(CCC(F)(F)F)c2)c1 ZINC000600793930 478523727 /nfs/dbraw/zinc/52/37/27/478523727.db2.gz QBOQOYBTJDKZRG-UHFFFAOYSA-N 0 0 329.278 2.946 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600793695 478524047 /nfs/dbraw/zinc/52/40/47/478524047.db2.gz LGARATQNLNLLSP-TURKWSHLSA-N 0 0 332.381 2.795 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H]2CCCC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000591328578 478525268 /nfs/dbraw/zinc/52/52/68/478525268.db2.gz VAFFDFOKTWWLKU-LBPRGKRZSA-N 0 0 334.344 2.678 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](CCc1ccccc1)C(F)F ZINC000600795251 478525430 /nfs/dbraw/zinc/52/54/30/478525430.db2.gz WSSCRTZKCPRMBJ-GFCCVEGCSA-N 0 0 338.314 2.656 10 5 EFBERN Cc1n[nH]c(C(=O)NCc2ccccc2CC(F)(F)F)c1[N+](=O)[O-] ZINC000600796004 478525640 /nfs/dbraw/zinc/52/56/40/478525640.db2.gz DJLLMZCCPNBFMU-UHFFFAOYSA-N 0 0 342.277 2.661 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000600802413 478526694 /nfs/dbraw/zinc/52/66/94/478526694.db2.gz WNNTXTOORZBICZ-GSJFWJNXSA-N 0 0 347.396 2.873 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600802663 478526890 /nfs/dbraw/zinc/52/68/90/478526890.db2.gz ZTAUDPHBJJUEGU-JBLDHEPKSA-N 0 0 342.779 2.557 10 5 EFBERN CC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000594742784 478526811 /nfs/dbraw/zinc/52/68/11/478526811.db2.gz AJLMZQBZRYJSTH-ZDUSSCGKSA-N 0 0 335.385 2.728 10 5 EFBERN COc1cc(OCC(=O)NC[C@@H]2CCCC23CC3)ccc1[N+](=O)[O-] ZINC000600805683 478527788 /nfs/dbraw/zinc/52/77/88/478527788.db2.gz SPNHDCVMIATYMV-LBPRGKRZSA-N 0 0 334.372 2.679 10 5 EFBERN Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594755663 478531348 /nfs/dbraw/zinc/53/13/48/478531348.db2.gz XXHPUWJYTNMBLU-ZDUSSCGKSA-N 0 0 349.412 2.550 10 5 EFBERN O=C(NC1(c2c(F)cccc2F)CCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600814997 478531652 /nfs/dbraw/zinc/53/16/52/478531652.db2.gz YAMWGJJUILAUGV-UHFFFAOYSA-N 0 0 349.293 2.783 10 5 EFBERN Cc1ccccc1[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CC1 ZINC000594753330 478531801 /nfs/dbraw/zinc/53/18/01/478531801.db2.gz IOULDBBRRGJYBX-HNNXBMFYSA-N 0 0 347.396 2.728 10 5 EFBERN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@H]1CCCC12CC2 ZINC000600817473 478532109 /nfs/dbraw/zinc/53/21/09/478532109.db2.gz SBKMSVWGEOHLHO-CYBMUJFWSA-N 0 0 326.356 2.926 10 5 EFBERN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@@H]1CCCC12CC2 ZINC000600817476 478532579 /nfs/dbraw/zinc/53/25/79/478532579.db2.gz SBKMSVWGEOHLHO-ZDUSSCGKSA-N 0 0 326.356 2.926 10 5 EFBERN CC(C)[C@H](C)CNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756840 478532790 /nfs/dbraw/zinc/53/27/90/478532790.db2.gz BTFNRBZWIUHKFC-LLVKDONJSA-N 0 0 337.401 2.713 10 5 EFBERN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594756487 478533191 /nfs/dbraw/zinc/53/31/91/478533191.db2.gz YARJLRYRJZZQIY-AWEZNQCLSA-N 0 0 347.396 2.824 10 5 EFBERN C[C@@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763620 478534205 /nfs/dbraw/zinc/53/42/05/478534205.db2.gz WFODVHICUZJVRE-TZMCWYRMSA-N 0 0 347.396 2.557 10 5 EFBERN COc1ccc(OCc2ccc([N+](=O)[O-])cc2Cl)c(C(N)=O)c1 ZINC000541076914 478534594 /nfs/dbraw/zinc/53/45/94/478534594.db2.gz HWDXNKNVLKHDAD-UHFFFAOYSA-N 0 0 336.731 2.935 10 5 EFBERN CCC1(CC)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594766121 478535548 /nfs/dbraw/zinc/53/55/48/478535548.db2.gz DNBQBTKNVPXCGH-UHFFFAOYSA-N 0 0 327.406 2.581 10 5 EFBERN C[C@@H]1CCn2ncc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2C1 ZINC000571168036 478536256 /nfs/dbraw/zinc/53/62/56/478536256.db2.gz YHOSSBCQQIRCAT-GFCCVEGCSA-N 0 0 340.383 2.572 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000594776107 478537955 /nfs/dbraw/zinc/53/79/55/478537955.db2.gz QWZIUVKUIKICAG-CQSZACIVSA-N 0 0 347.396 2.558 10 5 EFBERN O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000597850589 478539670 /nfs/dbraw/zinc/53/96/70/478539670.db2.gz FLDSHINMYYJMCH-INIZCTEOSA-N 0 0 341.367 2.624 10 5 EFBERN CN([C@@H]1CCC[C@@H]1C(C)(C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594783324 478539784 /nfs/dbraw/zinc/53/97/84/478539784.db2.gz NFARYIIXGJKXAU-NWDGAFQWSA-N 0 0 341.433 2.825 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000582223129 478542254 /nfs/dbraw/zinc/54/22/54/478542254.db2.gz WMJPNQUVJRGHJX-VUCTXSBTSA-N 0 0 343.383 2.842 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)c2ccccn2)c1 ZINC000594795346 478543512 /nfs/dbraw/zinc/54/35/12/478543512.db2.gz KVEYCSKNRREQDM-LBPRGKRZSA-N 0 0 349.412 2.689 10 5 EFBERN Cc1ccc(C2(NS(=O)(=O)c3ncccc3[N+](=O)[O-])CCC2)cc1 ZINC000594798165 478544317 /nfs/dbraw/zinc/54/43/17/478544317.db2.gz ZDGVHIUDHJAXNL-UHFFFAOYSA-N 0 0 347.396 2.656 10 5 EFBERN COC1CC(CCNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000597858530 478544899 /nfs/dbraw/zinc/54/48/99/478544899.db2.gz MOUBHXHIVPRXCZ-UHFFFAOYSA-N 0 0 336.388 2.927 10 5 EFBERN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000597862068 478547993 /nfs/dbraw/zinc/54/79/93/478547993.db2.gz AQHUEDJDFJKAJG-CYBMUJFWSA-N 0 0 341.367 2.873 10 5 EFBERN CCC(C)(C)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000594812367 478548794 /nfs/dbraw/zinc/54/87/94/478548794.db2.gz CNCCBAUWAKHBNA-JTQLQIEISA-N 0 0 330.406 2.706 10 5 EFBERN CCC(C)(C)[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594814638 478549502 /nfs/dbraw/zinc/54/95/02/478549502.db2.gz WXOTUAIMUDWYMI-LBPRGKRZSA-N 0 0 328.434 2.881 10 5 EFBERN C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000597863126 478549479 /nfs/dbraw/zinc/54/94/79/478549479.db2.gz GORAXFBLTBLKME-ZDUSSCGKSA-N 0 0 329.356 2.679 10 5 EFBERN C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000597863125 478549879 /nfs/dbraw/zinc/54/98/79/478549879.db2.gz GORAXFBLTBLKME-CYBMUJFWSA-N 0 0 329.356 2.679 10 5 EFBERN C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000597866034 478551084 /nfs/dbraw/zinc/55/10/84/478551084.db2.gz VGHLSACRQKKZLD-CYBMUJFWSA-N 0 0 328.372 2.712 10 5 EFBERN C[C@@H]1C[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000571256436 478552123 /nfs/dbraw/zinc/55/21/23/478552123.db2.gz WGPRHUPHJDBOFV-MPZDIEGVSA-N 0 0 345.399 2.841 10 5 EFBERN O=C(Nc1cncc2c1CCCC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597870579 478554173 /nfs/dbraw/zinc/55/41/73/478554173.db2.gz QXWWLNIARSVMHA-UHFFFAOYSA-N 0 0 341.323 2.850 10 5 EFBERN O=C1Nc2ccccc2CC[C@H]1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582276405 478554911 /nfs/dbraw/zinc/55/49/11/478554911.db2.gz APTUZZRDSXCXBR-GOSISDBHSA-N 0 0 337.379 2.906 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1cnn2c1CCCC2 ZINC000600894209 478555537 /nfs/dbraw/zinc/55/55/37/478555537.db2.gz OIRAHZXYEGRMQV-UHFFFAOYSA-N 0 0 328.372 2.926 10 5 EFBERN Cc1sc(C(=O)NCc2cnc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000597885703 478559125 /nfs/dbraw/zinc/55/91/25/478559125.db2.gz BKICABACZNQRNN-UHFFFAOYSA-N 0 0 346.290 2.704 10 5 EFBERN Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597885852 478559392 /nfs/dbraw/zinc/55/93/92/478559392.db2.gz NIXOQJROBYICPE-CYBMUJFWSA-N 0 0 328.372 2.922 10 5 EFBERN COC[C@@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)OC ZINC000597888053 478560457 /nfs/dbraw/zinc/56/04/57/478560457.db2.gz PEFNHLXPHVPUSX-GFCCVEGCSA-N 0 0 338.385 2.591 10 5 EFBERN CCN(CCOc1ccccc1C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000591462469 478560647 /nfs/dbraw/zinc/56/06/47/478560647.db2.gz LVCUBCRQDPQFAS-UHFFFAOYSA-N 0 0 345.399 2.883 10 5 EFBERN C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594853499 478561389 /nfs/dbraw/zinc/56/13/89/478561389.db2.gz YTPWTIANKPWSDT-JTQLQIEISA-N 0 0 340.735 2.572 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@]2(C)CC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000594856161 478561962 /nfs/dbraw/zinc/56/19/62/478561962.db2.gz FXGGGVZQQJNLGQ-LBPRGKRZSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@@]2(C)CC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000594856158 478562037 /nfs/dbraw/zinc/56/20/37/478562037.db2.gz FXGGGVZQQJNLGQ-GFCCVEGCSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594858539 478562476 /nfs/dbraw/zinc/56/24/76/478562476.db2.gz SLLJQNCXLPCEHS-GFCCVEGCSA-N 0 0 334.344 2.535 10 5 EFBERN Nc1ccc2c(c1)CC[C@@H]2NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000563449867 478562855 /nfs/dbraw/zinc/56/28/55/478562855.db2.gz JHLWTDOMRJCDSJ-HNNXBMFYSA-N 0 0 341.367 2.750 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@]1(C)CC1(F)F ZINC000594859013 478564160 /nfs/dbraw/zinc/56/41/60/478564160.db2.gz XHIUAPXOAGZYPB-LBPRGKRZSA-N 0 0 334.344 2.617 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@@]1(C)CC1(F)F ZINC000594859057 478564588 /nfs/dbraw/zinc/56/45/88/478564588.db2.gz XWQXXWCDOKNGPC-LBPRGKRZSA-N 0 0 334.344 2.617 10 5 EFBERN CC[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000594868868 478567970 /nfs/dbraw/zinc/56/79/70/478567970.db2.gz VTBXOLQVOWZHMK-VXGBXAGGSA-N 0 0 342.417 2.803 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@@H]2CC[C@H]3C[C@H]3C2)C1=O ZINC000594889079 478574065 /nfs/dbraw/zinc/57/40/65/478574065.db2.gz INDVELFPXVIUIL-SJBDTSRBSA-N 0 0 343.383 2.798 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC)COCC1CC1 ZINC000597922643 478576700 /nfs/dbraw/zinc/57/67/00/478576700.db2.gz JUCYSCPACUXQNB-CYBMUJFWSA-N 0 0 336.388 2.929 10 5 EFBERN CCOc1cc(OC[C@@]2(OC(C)C)CCOC2)ccc1[N+](=O)[O-] ZINC000594895782 478576887 /nfs/dbraw/zinc/57/68/87/478576887.db2.gz USYZAEHMYCUEHE-MRXNPFEDSA-N 0 0 325.361 2.956 10 5 EFBERN CCOc1ccc(C(=O)N2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597922804 478577665 /nfs/dbraw/zinc/57/76/65/478577665.db2.gz JIFATTONPWDBTK-KRWDZBQOSA-N 0 0 334.372 2.635 10 5 EFBERN Cc1nn(CCC(=O)N2CCC(c3ccco3)CC2)c(C)c1[N+](=O)[O-] ZINC000597923831 478577934 /nfs/dbraw/zinc/57/79/34/478577934.db2.gz URKKDLGXTVVVHF-UHFFFAOYSA-N 0 0 346.387 2.797 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](O)CC12CCC2 ZINC000591540934 478578482 /nfs/dbraw/zinc/57/84/82/478578482.db2.gz CDQUPVIIHNHRGI-CYBMUJFWSA-N 0 0 330.340 2.861 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H](O)CC12CCC2 ZINC000591540930 478578731 /nfs/dbraw/zinc/57/87/31/478578731.db2.gz BBLXZNINYJCSNL-GFCCVEGCSA-N 0 0 329.356 2.596 10 5 EFBERN C[C@@]1(C2CC2)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000597925177 478578968 /nfs/dbraw/zinc/57/89/68/478578968.db2.gz KXWNWRQBBGJPAU-JZXOWHBKSA-N 0 0 330.384 2.726 10 5 EFBERN CC(C)(C(=O)N1CCO[C@](C)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000597924615 478579001 /nfs/dbraw/zinc/57/90/01/478579001.db2.gz QXHIQIMZNRKFNQ-SFHVURJKSA-N 0 0 332.400 2.900 10 5 EFBERN COc1cc(C(=O)N2CCO[C@@](C)(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000597925266 478579970 /nfs/dbraw/zinc/57/99/70/478579970.db2.gz LXWAZEXRCATEDM-QGZVFWFLSA-N 0 0 334.372 2.553 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000597936036 478585252 /nfs/dbraw/zinc/58/52/52/478585252.db2.gz MMIFEMMOVYAPFG-GXFFZTMASA-N 0 0 329.360 2.746 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000597952058 478593106 /nfs/dbraw/zinc/59/31/06/478593106.db2.gz OTKKYBIXIINERF-JTQLQIEISA-N 0 0 342.417 2.553 10 5 EFBERN COc1ncccc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600989705 478600177 /nfs/dbraw/zinc/60/01/77/478600177.db2.gz HKNGLNLOHFFYOS-UHFFFAOYSA-N 0 0 341.367 2.737 10 5 EFBERN COc1ccc(CNCc2cnc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000594950130 478600108 /nfs/dbraw/zinc/60/01/08/478600108.db2.gz IZNICODFUIMARF-UHFFFAOYSA-N 0 0 342.277 2.702 10 5 EFBERN COc1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000571452202 478600998 /nfs/dbraw/zinc/60/09/98/478600998.db2.gz FQKKLODITBGXMS-UHFFFAOYSA-N 0 0 336.344 2.664 10 5 EFBERN COc1cc(Cc2noc(/C=C\[C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000591665220 478604748 /nfs/dbraw/zinc/60/47/48/478604748.db2.gz LFEDZEOTCPMPGO-SMYYYNMVSA-N 0 0 331.328 2.769 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000601001997 478607648 /nfs/dbraw/zinc/60/76/48/478607648.db2.gz GRAWWNZNTKFZDL-YIONKMFJSA-N 0 0 330.384 2.997 10 5 EFBERN Cc1cn2cc(CC(=O)NCCc3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000601010080 478612731 /nfs/dbraw/zinc/61/27/31/478612731.db2.gz HHKKAUYPHYTMFB-UHFFFAOYSA-N 0 0 344.396 2.514 10 5 EFBERN C[C@@H](CO)[C@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598018184 478619008 /nfs/dbraw/zinc/61/90/08/478619008.db2.gz JYCLUNYIRQAUFF-MEDUHNTESA-N 0 0 331.372 2.699 10 5 EFBERN CCOc1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1C ZINC000595001166 478623778 /nfs/dbraw/zinc/62/37/78/478623778.db2.gz RKNRDXVPKAGLFJ-UHFFFAOYSA-N 0 0 345.355 2.502 10 5 EFBERN COCCC1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000591785608 478629875 /nfs/dbraw/zinc/62/98/75/478629875.db2.gz KMQYZBBWYMBJLE-JTQLQIEISA-N 0 0 342.779 2.510 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1noc(C(F)F)n1 ZINC000591784860 478629891 /nfs/dbraw/zinc/62/98/91/478629891.db2.gz WCWLVMUJIXVIOP-SSDOTTSWSA-N 0 0 326.259 2.715 10 5 EFBERN C[C@H]1COC2(CCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598048949 478633839 /nfs/dbraw/zinc/63/38/39/478633839.db2.gz TZOJEKNISODIEY-NSHDSACASA-N 0 0 329.356 2.860 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598053929 478636781 /nfs/dbraw/zinc/63/67/81/478636781.db2.gz IUGBVZSVYPCGCG-CYBMUJFWSA-N 0 0 346.383 2.728 10 5 EFBERN Cc1ccc([C@H](C)N2C(=O)N3C4CCC3(CC4)C2=O)cc1[N+](=O)[O-] ZINC000601069636 478638984 /nfs/dbraw/zinc/63/89/84/478638984.db2.gz UYGSKZADOUXOQZ-BLQFLSLASA-N 0 0 329.356 2.923 10 5 EFBERN C[C@@]12COC[C@]1(C)CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000598067822 478643866 /nfs/dbraw/zinc/64/38/66/478643866.db2.gz OODVHCVETNOEFH-HDICACEKSA-N 0 0 345.399 2.668 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1OCc1c(Br)cnn1C ZINC000601080776 478645857 /nfs/dbraw/zinc/64/58/57/478645857.db2.gz QKVZQCRTJWRCNY-UHFFFAOYSA-N 0 0 326.150 2.978 10 5 EFBERN CCN(CC(F)(F)F)C(=O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000601081863 478646064 /nfs/dbraw/zinc/64/60/64/478646064.db2.gz VTYDAHASOWSDKR-UHFFFAOYSA-N 0 0 338.257 2.832 10 5 EFBERN 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O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601235674 478739975 /nfs/dbraw/zinc/73/99/75/478739975.db2.gz WQXJZKSRGVSHHS-WDEREUQCSA-N 0 0 341.289 2.750 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000592005578 478742014 /nfs/dbraw/zinc/74/20/14/478742014.db2.gz CARSRNGXANNDPP-MNOVXSKESA-N 0 0 349.387 2.616 10 5 EFBERN COC(=O)C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000598280641 478743114 /nfs/dbraw/zinc/74/31/14/478743114.db2.gz MHYVTFKWLBSDEJ-CYBMUJFWSA-N 0 0 348.399 2.578 10 5 EFBERN COc1ccc2c(c1)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000595356008 478744088 /nfs/dbraw/zinc/74/40/88/478744088.db2.gz KBBSRPQDGIJEIO-UHFFFAOYSA-N 0 0 348.380 2.745 10 5 EFBERN CCOC(=O)[C@@]1(CNc2ccc(F)cc2[N+](=O)[O-])CCCOC1 ZINC000601244182 478744350 /nfs/dbraw/zinc/74/43/50/478744350.db2.gz LQZVSXRYZHHCNE-OAHLLOKOSA-N 0 0 326.324 2.506 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(O)(C1CC1)C1CC1 ZINC000598288816 478747286 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10 5 EFBERN Cn1c(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000598296180 478750713 /nfs/dbraw/zinc/75/07/13/478750713.db2.gz KNHHOSUTAIBHKQ-OLZOCXBDSA-N 0 0 335.404 2.789 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000598298440 478751919 /nfs/dbraw/zinc/75/19/19/478751919.db2.gz ARYOAGBBYJGCHP-NEPJUHHUSA-N 0 0 333.388 2.809 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000592045131 478754175 /nfs/dbraw/zinc/75/41/75/478754175.db2.gz VFKYELKAXMZZJY-MFKMUULPSA-N 0 0 330.381 2.526 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595390756 478758805 /nfs/dbraw/zinc/75/88/05/478758805.db2.gz KRTCYVGMOAYVFQ-CQSZACIVSA-N 0 0 346.408 2.945 10 5 EFBERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000598308301 478758932 /nfs/dbraw/zinc/75/89/32/478758932.db2.gz NJQRNKGRFDFSTN-LSDHHAIUSA-N 0 0 327.340 2.593 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595387473 478759965 /nfs/dbraw/zinc/75/99/65/478759965.db2.gz RWEALNJVEBDUIF-CQSZACIVSA-N 0 0 346.408 2.945 10 5 EFBERN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598311220 478760303 /nfs/dbraw/zinc/76/03/03/478760303.db2.gz OUTCDZICEALRSZ-NEPJUHHUSA-N 0 0 344.289 2.647 10 5 EFBERN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598311227 478760940 /nfs/dbraw/zinc/76/09/40/478760940.db2.gz OUTCDZICEALRSZ-VXGBXAGGSA-N 0 0 344.289 2.647 10 5 EFBERN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598313158 478761983 /nfs/dbraw/zinc/76/19/83/478761983.db2.gz SZAPRHRYGCTINS-ZIAGYGMSSA-N 0 0 332.381 2.843 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)CC(F)F)c1C ZINC000592068010 478762158 /nfs/dbraw/zinc/76/21/58/478762158.db2.gz YPIRFDCOBXQGCM-MRVPVSSYSA-N 0 0 336.360 2.781 10 5 EFBERN CCc1ccc(S(=O)(=O)NC[C@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592067117 478762235 /nfs/dbraw/zinc/76/22/35/478762235.db2.gz 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ZINC000598319285 478764982 /nfs/dbraw/zinc/76/49/82/478764982.db2.gz BUZKHEHSJHSXNJ-UHFFFAOYSA-N 0 0 343.387 2.568 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2CC1(c1ccccc1)C2 ZINC000595407687 478765134 /nfs/dbraw/zinc/76/51/34/478765134.db2.gz KDLWNAAQIUALBE-UHFFFAOYSA-N 0 0 344.392 2.905 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592073858 478765171 /nfs/dbraw/zinc/76/51/71/478765171.db2.gz KVZMWPVPGNHGOJ-UHFFFAOYSA-N 0 0 348.371 2.877 10 5 EFBERN CC[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000595405727 478765234 /nfs/dbraw/zinc/76/52/34/478765234.db2.gz YZHZERCJIOYOJG-CYBMUJFWSA-N 0 0 331.338 2.895 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC(C)(CC(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000592073992 478765240 /nfs/dbraw/zinc/76/52/40/478765240.db2.gz VLXPLJRKCUONNB-UHFFFAOYSA-N 0 0 348.371 2.877 10 5 EFBERN CC1(C)C[C@]1(NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000595413308 478765710 /nfs/dbraw/zinc/76/57/10/478765710.db2.gz YBYOGTJJUXWZLQ-INIZCTEOSA-N 0 0 347.396 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COc1ccc(NC(=O)c2cn3c(n2)C[C@H](C)CC3)cc1[N+](=O)[O-] ZINC000601425434 478829316 /nfs/dbraw/zinc/82/93/16/478829316.db2.gz YQPSIMUXKGPMCV-SNVBAGLBSA-N 0 0 330.344 2.635 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1C1CCC1 ZINC000583357214 478830252 /nfs/dbraw/zinc/83/02/52/478830252.db2.gz NWJYBTBZMGPGQO-UHFFFAOYSA-N 0 0 329.356 2.999 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H]2CCCC2(F)F)c([N+](=O)[O-])s1 ZINC000601428620 478830650 /nfs/dbraw/zinc/83/06/50/478830650.db2.gz CEEBYYBFCROWLK-MRVPVSSYSA-N 0 0 340.373 2.678 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595518551 478831210 /nfs/dbraw/zinc/83/12/10/478831210.db2.gz IGZALGRRUBLLRS-KOMQPUFPSA-N 0 0 335.404 2.784 10 5 EFBERN CCOC[C@H]1CCCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601437253 478832691 /nfs/dbraw/zinc/83/26/91/478832691.db2.gz UCHPWQXRCXECJE-LLVKDONJSA-N 0 0 348.446 2.544 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598456744 478832991 /nfs/dbraw/zinc/83/29/91/478832991.db2.gz LLTZRAROIJAESN-ARFHVFGLSA-N 0 0 327.315 2.505 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598457102 478833115 /nfs/dbraw/zinc/83/31/15/478833115.db2.gz AXINOMREVROIFZ-BMGDILEWSA-N 0 0 344.317 2.870 10 5 EFBERN CNc1c(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cccc1[N+](=O)[O-] ZINC000598457109 478833320 /nfs/dbraw/zinc/83/33/20/478833320.db2.gz BBLPJGVCNXKEHV-UKPHBRMFSA-N 0 0 341.342 2.844 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000598457516 478833960 /nfs/dbraw/zinc/83/39/60/478833960.db2.gz NLHILFNIJLRVSS-USXIJHARSA-N 0 0 342.326 2.811 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1[N+](=O)[O-] ZINC000598457358 478834309 /nfs/dbraw/zinc/83/43/09/478834309.db2.gz CXWWBZGTFXMXLB-VNQPRFMTSA-N 0 0 342.326 2.811 10 5 EFBERN Cc1nc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)o1 ZINC000572430920 478834351 /nfs/dbraw/zinc/83/43/51/478834351.db2.gz WGFRYWBHGUXJHW-UHFFFAOYSA-N 0 0 328.328 2.653 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598458557 478834991 /nfs/dbraw/zinc/83/49/91/478834991.db2.gz RQUYUJOHXPEPRZ-BMGDILEWSA-N 0 0 326.327 2.731 10 5 EFBERN CCCCC[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598461855 478835741 /nfs/dbraw/zinc/83/57/41/478835741.db2.gz USZRIRBWNSPXQQ-AWEZNQCLSA-N 0 0 335.404 2.718 10 5 EFBERN CCOc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)nc1C ZINC000598467238 478837423 /nfs/dbraw/zinc/83/74/23/478837423.db2.gz URSPLJKFFGNGSQ-UHFFFAOYSA-N 0 0 331.328 2.714 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2ccc(OCC)c(C)n2)c1[N+](=O)[O-] ZINC000598467431 478837901 /nfs/dbraw/zinc/83/79/01/478837901.db2.gz ZQNFXXFJBVAELV-UHFFFAOYSA-N 0 0 333.348 2.625 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])s1 ZINC000601452718 478839655 /nfs/dbraw/zinc/83/96/55/478839655.db2.gz AKJJNGLPMPPTFO-LLVKDONJSA-N 0 0 348.446 2.543 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H](C)CC(F)F)c([N+](=O)[O-])s1 ZINC000601452570 478839685 /nfs/dbraw/zinc/83/96/85/478839685.db2.gz VKWRDTMDXISCFZ-ZCFIWIBFSA-N 0 0 328.362 2.534 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC23CCCC3)c(F)cc1[N+](=O)[O-] ZINC000601452728 478839941 /nfs/dbraw/zinc/83/99/41/478839941.db2.gz ARMZAPDXYJEIIP-UHFFFAOYSA-N 0 0 328.365 2.750 10 5 EFBERN Cc1sc(C(=O)NC[C@@H](O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000598472011 478840605 /nfs/dbraw/zinc/84/06/05/478840605.db2.gz DXTXITDVBPVTGK-QMTHXVAHSA-N 0 0 334.397 2.859 10 5 EFBERN Cc1sc(C(=O)NC[C@H](O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000598472012 478840853 /nfs/dbraw/zinc/84/08/53/478840853.db2.gz DXTXITDVBPVTGK-YGRLFVJLSA-N 0 0 334.397 2.859 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000595544201 478844814 /nfs/dbraw/zinc/84/48/14/478844814.db2.gz NEHDEBDXGHICEB-RVSPLBMKSA-N 0 0 333.388 2.642 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595544217 478845044 /nfs/dbraw/zinc/84/50/44/478845044.db2.gz NIEYVBJSDPPHGW-NWDGAFQWSA-N 0 0 331.376 2.758 10 5 EFBERN Cc1cccc2c1CCC[C@@H]2NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598476559 478845552 /nfs/dbraw/zinc/84/55/52/478845552.db2.gz OGMTWBGQZJRGMM-INIZCTEOSA-N 0 0 328.372 2.684 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595550595 478849236 /nfs/dbraw/zinc/84/92/36/478849236.db2.gz VSZCSVPRBMQDOT-GWCFXTLKSA-N 0 0 343.330 2.688 10 5 EFBERN Cc1nn(C)c(C(=O)N[C@H]2CCCc3c(C)cccc32)c1[N+](=O)[O-] ZINC000598481326 478849859 /nfs/dbraw/zinc/84/98/59/478849859.db2.gz XLRATANXXCOEKK-AWEZNQCLSA-N 0 0 328.372 2.753 10 5 EFBERN CC(C)(F)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000601476003 478849869 /nfs/dbraw/zinc/84/98/69/478849869.db2.gz DRFFVPCJHDUXFY-UHFFFAOYSA-N 0 0 344.286 2.640 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCC(c3ncc[nH]3)CC1)CCCC2 ZINC000564892321 478850346 /nfs/dbraw/zinc/85/03/46/478850346.db2.gz INMYXMASPRBZAM-UHFFFAOYSA-N 0 0 327.388 2.976 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC(CCF)CC1 ZINC000601498238 478852382 /nfs/dbraw/zinc/85/23/82/478852382.db2.gz VITWKFXYSPTRHS-UHFFFAOYSA-N 0 0 344.408 2.539 10 5 EFBERN Cc1scc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000601497941 478852972 /nfs/dbraw/zinc/85/29/72/478852972.db2.gz JBIHIVQUICFIJU-UHFFFAOYSA-N 0 0 340.426 2.893 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@H]([C@@H](O)C(F)(F)F)C1)CCCC2 ZINC000564903346 478853840 /nfs/dbraw/zinc/85/38/40/478853840.db2.gz NVHBZIXLQDBIRQ-GXFFZTMASA-N 0 0 345.321 2.618 10 5 EFBERN CC(C)(C)OC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000598496156 478860269 /nfs/dbraw/zinc/86/02/69/478860269.db2.gz AESAVYCLBCHEBA-UHFFFAOYSA-N 0 0 334.372 2.837 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](c3cccnc3)C2)c1 ZINC000601513296 478860766 /nfs/dbraw/zinc/86/07/66/478860766.db2.gz COMWSIPDYAFYRI-CQSZACIVSA-N 0 0 347.396 2.558 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000601514206 478861235 /nfs/dbraw/zinc/86/12/35/478861235.db2.gz FOLCAALJDYWYOM-CQSZACIVSA-N 0 0 347.396 2.558 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595572239 478862137 /nfs/dbraw/zinc/86/21/37/478862137.db2.gz BCMXJDZLTMFWAP-AWEZNQCLSA-N 0 0 347.415 2.880 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](C3CCC3)CC2)nc1 ZINC000601519543 478862339 /nfs/dbraw/zinc/86/23/39/478862339.db2.gz BOLLUNWWNODFPT-ZDUSSCGKSA-N 0 0 339.417 2.581 10 5 EFBERN O=C(N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1(C(F)F)CCC1 ZINC000601521821 478863431 /nfs/dbraw/zinc/86/34/31/478863431.db2.gz SSOCAJCFMOEDEY-UHFFFAOYSA-N 0 0 326.299 2.620 10 5 EFBERN Cc1c(Br)c(=O)n(CCC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000592348720 478863711 /nfs/dbraw/zinc/86/37/11/478863711.db2.gz XKGZXXCUNGCUIE-JTQLQIEISA-N 0 0 345.193 2.644 10 5 EFBERN CC1(C)CC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000598505653 478867290 /nfs/dbraw/zinc/86/72/90/478867290.db2.gz XHBCKTYCNLDUML-UHFFFAOYSA-N 0 0 329.356 2.827 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CSC[C@H]1CN(C)CCO1 ZINC000564957945 478868036 /nfs/dbraw/zinc/86/80/36/478868036.db2.gz IYUAPYFOIZHXOE-OAHLLOKOSA-N 0 0 340.445 2.946 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000598507330 478868112 /nfs/dbraw/zinc/86/81/12/478868112.db2.gz KXUASIUIIDHXIP-SKDRFNHKSA-N 0 0 332.278 2.777 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595584439 478868889 /nfs/dbraw/zinc/86/88/89/478868889.db2.gz FYFNVPCSHJOTJU-JOCQHMNTSA-N 0 0 341.795 2.657 10 5 EFBERN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000598509959 478870750 /nfs/dbraw/zinc/87/07/50/478870750.db2.gz VQYUXAFINUGDKJ-JQWIXIFHSA-N 0 0 346.305 2.706 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000598509962 478871783 /nfs/dbraw/zinc/87/17/83/478871783.db2.gz VQYUXAFINUGDKJ-PWSUYJOCSA-N 0 0 346.305 2.706 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598512089 478872704 /nfs/dbraw/zinc/87/27/04/478872704.db2.gz RASSRGXTDSWESG-VIFPVBQESA-N 0 0 336.241 2.527 10 5 EFBERN C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000583539089 478873420 /nfs/dbraw/zinc/87/34/20/478873420.db2.gz ZDOPFUDTQQXYGG-VXGBXAGGSA-N 0 0 330.388 2.916 10 5 EFBERN O=C(N1CC([C@@H]2CCOC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601542830 478873454 /nfs/dbraw/zinc/87/34/54/478873454.db2.gz ZTPZLSKMOAPHFA-CYBMUJFWSA-N 0 0 330.384 2.511 10 5 EFBERN Cc1sc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598513225 478873609 /nfs/dbraw/zinc/87/36/09/478873609.db2.gz ZFSOUGNWDFPISP-QMMMGPOBSA-N 0 0 338.307 2.758 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@]2(CCSC2)C1 ZINC000565009552 478882060 /nfs/dbraw/zinc/88/20/60/478882060.db2.gz KBBRDQQTYXQREP-MRXNPFEDSA-N 0 0 348.380 2.689 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601567106 478883157 /nfs/dbraw/zinc/88/31/57/478883157.db2.gz QKWRMNVWVIUNHN-HOTGVXAUSA-N 0 0 333.388 2.742 10 5 EFBERN Cc1cc(OCC(=O)N[C@H](c2ccccc2)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000598538300 478884438 /nfs/dbraw/zinc/88/44/38/478884438.db2.gz ACURNJCYRVKBQY-UGSOOPFHSA-N 0 0 344.367 2.520 10 5 EFBERN Cc1cc(OCC(=O)N[C@@H](c2ccccc2)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000598538299 478884794 /nfs/dbraw/zinc/88/47/94/478884794.db2.gz ACURNJCYRVKBQY-SCLBCKFNSA-N 0 0 344.367 2.520 10 5 EFBERN COc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)O)cc([N+](=O)[O-])c1C ZINC000598539579 478885826 /nfs/dbraw/zinc/88/58/26/478885826.db2.gz LPLSSNZXIUYEGA-SJCJKPOMSA-N 0 0 344.367 2.764 10 5 EFBERN O=C(C1CCCCC1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505796219 478885764 /nfs/dbraw/zinc/88/57/64/478885764.db2.gz NLLIEZKUAGDYOK-UHFFFAOYSA-N 0 0 349.406 2.958 10 5 EFBERN COc1ccc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000598539379 478885902 /nfs/dbraw/zinc/88/59/02/478885902.db2.gz CZOROWOCFZCVOE-HDICACEKSA-N 0 0 346.383 2.636 10 5 EFBERN Cc1c(CC(=O)N[C@@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000598540649 478886619 /nfs/dbraw/zinc/88/66/19/478886619.db2.gz RJSGRBVUFYYFEP-FZKQIMNGSA-N 0 0 328.368 2.684 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598539923 478886874 /nfs/dbraw/zinc/88/68/74/478886874.db2.gz MMSLZIHUFQGXTQ-OGHNNQOOSA-N 0 0 328.368 2.937 10 5 EFBERN C[C@H](O)[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598539921 478886915 /nfs/dbraw/zinc/88/69/15/478886915.db2.gz MMSLZIHUFQGXTQ-DCGLDWPTSA-N 0 0 328.368 2.937 10 5 EFBERN C[C@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598541890 478887591 /nfs/dbraw/zinc/88/75/91/478887591.db2.gz XCVUOZAZDSIIRD-BIMQEMHKSA-N 0 0 340.379 2.937 10 5 EFBERN Cc1c(CC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000598543447 478887958 /nfs/dbraw/zinc/88/79/58/478887958.db2.gz NKIDLAAHQZRPBB-KDURUIRLSA-N 0 0 344.411 2.865 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601584820 478890654 /nfs/dbraw/zinc/89/06/54/478890654.db2.gz ZBLPRJSTYIINNK-IRXDYDNUSA-N 0 0 347.415 2.784 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601584822 478890682 /nfs/dbraw/zinc/89/06/82/478890682.db2.gz ZBLPRJSTYIINNK-SJORKVTESA-N 0 0 347.415 2.784 10 5 EFBERN O=C(N[C@@H](c1ccncc1)C1(CO)CCC1)c1csc([N+](=O)[O-])c1 ZINC000598552205 478891467 /nfs/dbraw/zinc/89/14/67/478891467.db2.gz ZYKFHCGAXWNYEY-AWEZNQCLSA-N 0 0 347.396 2.685 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000598561871 478897352 /nfs/dbraw/zinc/89/73/52/478897352.db2.gz BKKNCBMBXSKJSB-ZUZCIYMTSA-N 0 0 328.315 2.788 10 5 EFBERN COc1cc(C(=O)N2CC3CC2(C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000598568118 478901264 /nfs/dbraw/zinc/90/12/64/478901264.db2.gz NYZYEINVZPUNCY-UHFFFAOYSA-N 0 0 342.298 2.829 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000598570281 478902008 /nfs/dbraw/zinc/90/20/08/478902008.db2.gz HPPINAJRRLAOAE-SFHVURJKSA-N 0 0 342.399 2.909 10 5 EFBERN CNc1ccc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598571268 478902352 /nfs/dbraw/zinc/90/23/52/478902352.db2.gz MGKQKZKXBJUBBS-BJOHPYRUSA-N 0 0 343.330 2.521 10 5 EFBERN CC(=O)CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)C ZINC000601605643 478903882 /nfs/dbraw/zinc/90/38/82/478903882.db2.gz GWPJKPBXPVRRBP-UHFFFAOYSA-N 0 0 330.287 2.636 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)n1 ZINC000598576510 478905951 /nfs/dbraw/zinc/90/59/51/478905951.db2.gz UUWXVXGOQKHQRJ-HNNXBMFYSA-N 0 0 341.371 2.574 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000601609796 478906144 /nfs/dbraw/zinc/90/61/44/478906144.db2.gz HNZXYFJQTMIRAM-NJZAAPMLSA-N 0 0 336.363 2.890 10 5 EFBERN Cc1c(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598576110 478906459 /nfs/dbraw/zinc/90/64/59/478906459.db2.gz ZAOGBNFGYHWACR-BJOHPYRUSA-N 0 0 328.315 2.788 10 5 EFBERN O=C(N[C@H]1CC12CCOCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601617225 478908582 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EFBERN CCCCS[C@@H](C)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601782642 479002250 /nfs/dbraw/zinc/00/22/50/479002250.db2.gz YZCRZEDOSXWXDD-LRDDRELGSA-N 0 0 340.445 2.840 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592701460 479004479 /nfs/dbraw/zinc/00/44/79/479004479.db2.gz AJOQPPOYQUDGKC-FMKPAKJESA-N 0 0 338.429 2.553 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592702054 479005177 /nfs/dbraw/zinc/00/51/77/479005177.db2.gz HUZFWDJUGITLFH-QZKOUSHUSA-N 0 0 338.429 2.724 10 5 EFBERN CC(C)n1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000584078608 479009835 /nfs/dbraw/zinc/00/98/35/479009835.db2.gz POKNAKFIGRTPMW-UHFFFAOYSA-N 0 0 341.371 2.826 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](C(F)F)CC1 ZINC000601799117 479009974 /nfs/dbraw/zinc/00/99/74/479009974.db2.gz HWGUUSRIXLQQHV-CYBMUJFWSA-N 0 0 339.298 2.572 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C(F)F)CC1 ZINC000601802680 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EFBERN O=C(NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000598776346 479020601 /nfs/dbraw/zinc/02/06/01/479020601.db2.gz FHXTXFQPLGTCRY-LLVKDONJSA-N 0 0 336.298 2.556 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccon2)CC1 ZINC000595829287 479020763 /nfs/dbraw/zinc/02/07/63/479020763.db2.gz SXUJOUCENLBCHI-LBPRGKRZSA-N 0 0 344.371 2.789 10 5 EFBERN O=C(NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000598776347 479020912 /nfs/dbraw/zinc/02/09/12/479020912.db2.gz FHXTXFQPLGTCRY-NSHDSACASA-N 0 0 336.298 2.556 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC(c4ccon4)CC3)nc2c1 ZINC000595827736 479021122 /nfs/dbraw/zinc/02/11/22/479021122.db2.gz GTCNPHBZXZMAIT-UHFFFAOYSA-N 0 0 327.344 2.839 10 5 EFBERN CC[C@]1(O)CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000601821619 479021312 /nfs/dbraw/zinc/02/13/12/479021312.db2.gz YKWJNFOSPVCENL-HNNXBMFYSA-N 0 0 344.314 2.573 10 5 EFBERN CC(C)(C(=O)N1CCO[C@H](C(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000601824267 479021588 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Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@](C)(Cc1ccccc1)C(C)C ZINC000601835669 479029768 /nfs/dbraw/zinc/02/97/68/479029768.db2.gz JXARDZAPSHQSNR-SFHVURJKSA-N 0 0 344.415 2.873 10 5 EFBERN CO[C@@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CCC1 ZINC000598803846 479030558 /nfs/dbraw/zinc/03/05/58/479030558.db2.gz QEQHPEIYCIRZBB-OAHLLOKOSA-N 0 0 336.344 2.510 10 5 EFBERN COC(=O)[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000595848822 479030651 /nfs/dbraw/zinc/03/06/51/479030651.db2.gz ROGSJSANBXQZSQ-JNSHFYNHSA-N 0 0 336.388 2.765 10 5 EFBERN O=C([C@H]1COC[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000598803061 479030773 /nfs/dbraw/zinc/03/07/73/479030773.db2.gz GOKOVQBAAJVZDQ-SJORKVTESA-N 0 0 338.363 2.914 10 5 EFBERN Cn1ncc(C2CCC2)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000598804641 479031383 /nfs/dbraw/zinc/03/13/83/479031383.db2.gz WTUHEVAJUXQYJX-UHFFFAOYSA-N 0 0 326.356 2.799 10 5 EFBERN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)n1cccn1 ZINC000598811681 479033415 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O=C(COc1cccc([N+](=O)[O-])c1)NCC1([C@H]2CCCCO2)CCC1 ZINC000601857453 479044782 /nfs/dbraw/zinc/04/47/82/479044782.db2.gz QWMXVMARWRGQON-MRXNPFEDSA-N 0 0 348.399 2.829 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCSC3)C2)cc1OC(F)F ZINC000514669485 479045963 /nfs/dbraw/zinc/04/59/63/479045963.db2.gz DASCUJWUIMFJHZ-CQSZACIVSA-N 0 0 346.355 2.909 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601877302 479053059 /nfs/dbraw/zinc/05/30/59/479053059.db2.gz NIVUNUYFPDUBGE-HOCLYGCPSA-N 0 0 334.372 2.681 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@@H](CC(F)(F)F)C3)nc2c1 ZINC000595887894 479053334 /nfs/dbraw/zinc/05/33/34/479053334.db2.gz VYSPRIJWNXRNNN-JTQLQIEISA-N 0 0 344.293 2.624 10 5 EFBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](CC(F)(F)F)C1 ZINC000595892483 479055897 /nfs/dbraw/zinc/05/58/97/479055897.db2.gz SJKGQWBVMSVGKH-NSHDSACASA-N 0 0 334.294 2.627 10 5 EFBERN COc1cc(C(=O)Nc2ccnn2CC2CCC2)ccc1[N+](=O)[O-] ZINC000601883717 479056194 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10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000598859984 479058693 /nfs/dbraw/zinc/05/86/93/479058693.db2.gz PGNMQAOXPMSKEK-ZDUSSCGKSA-N 0 0 349.431 2.986 10 5 EFBERN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592825951 479061286 /nfs/dbraw/zinc/06/12/86/479061286.db2.gz MJFKMVATOJUQJE-MRVPVSSYSA-N 0 0 339.298 2.870 10 5 EFBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000592832305 479064898 /nfs/dbraw/zinc/06/48/98/479064898.db2.gz AFQWPJOKLDCQPQ-GFCCVEGCSA-N 0 0 347.371 2.784 10 5 EFBERN COC(=O)[C@](C)(CCF)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000598874867 479066896 /nfs/dbraw/zinc/06/68/96/479066896.db2.gz FSPFRKWOHQGIMI-AWEZNQCLSA-N 0 0 346.742 2.578 10 5 EFBERN CCCc1nccnc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000598875536 479067455 /nfs/dbraw/zinc/06/74/55/479067455.db2.gz OKJJCMWWZMPLHP-UHFFFAOYSA-N 0 0 346.343 2.607 10 5 EFBERN COC(=O)c1nn(Cc2cc(C(C)C)ccc2OC)cc1[N+](=O)[O-] ZINC000601916926 479069633 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EFBERN COc1cc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000595921686 479076153 /nfs/dbraw/zinc/07/61/53/479076153.db2.gz YQXZHMIDXIQSDC-PSLIRLAXSA-N 0 0 348.321 2.987 10 5 EFBERN Cc1nn(C)c(C(=O)N[C@H](C(F)F)C2CCCCC2)c1[N+](=O)[O-] ZINC000598895801 479078243 /nfs/dbraw/zinc/07/82/43/479078243.db2.gz UHAHSYNCHMSKCB-JTQLQIEISA-N 0 0 330.335 2.581 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@H]2CC2(F)F)c1 ZINC000598908313 479082418 /nfs/dbraw/zinc/08/24/18/479082418.db2.gz CHBPQRAXJXSEFM-NSHDSACASA-N 0 0 328.315 2.834 10 5 EFBERN O=C(N[C@@H](C(F)F)C1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598913778 479083722 /nfs/dbraw/zinc/08/37/22/479083722.db2.gz YAGBYDKNHPXCPK-LLVKDONJSA-N 0 0 329.303 2.639 10 5 EFBERN CNc1ccc(-c2nc(-c3cccnc3OC)no2)cc1[N+](=O)[O-] ZINC000547076345 479086665 /nfs/dbraw/zinc/08/66/65/479086665.db2.gz QTDZOWXOOZDMFB-UHFFFAOYSA-N 0 0 327.300 2.757 10 5 EFBERN COC(=O)c1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000592882284 479088597 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C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2n[nH]cc2C1 ZINC000596006855 479093358 /nfs/dbraw/zinc/09/33/58/479093358.db2.gz JUCUMWVKWBIPTD-LLVKDONJSA-N 0 0 346.412 2.774 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCc3nccc(Br)c3C2)s1 ZINC000598942137 479093496 /nfs/dbraw/zinc/09/34/96/479093496.db2.gz ITNFGTQJFLIJID-UHFFFAOYSA-N 0 0 341.190 2.772 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000598942933 479093772 /nfs/dbraw/zinc/09/37/72/479093772.db2.gz CTFYDQROWSEQOC-LLVKDONJSA-N 0 0 346.412 2.647 10 5 EFBERN C[C@H](C(=O)N1CCCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000596006007 479093982 /nfs/dbraw/zinc/09/39/82/479093982.db2.gz KXUONSZUENTVNW-JTQLQIEISA-N 0 0 332.335 2.536 10 5 EFBERN Cc1cc(-c2ccc([N+](=O)[O-])cc2)n([C@H]2CCCS(=O)(=O)C2)n1 ZINC000601956099 479094361 /nfs/dbraw/zinc/09/43/61/479094361.db2.gz YHZBXZFUBJBGLG-AWEZNQCLSA-N 0 0 335.385 2.516 10 5 EFBERN CSc1cccc(C(=O)N2CCCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000596006753 479094391 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COc1cc(C(=O)NC[C@H]2CCc3cccnc32)cc([N+](=O)[O-])c1C ZINC000598951363 479097641 /nfs/dbraw/zinc/09/76/41/479097641.db2.gz TXPNXKQJDKQIIW-CYBMUJFWSA-N 0 0 341.367 2.767 10 5 EFBERN O=[N+]([O-])c1cnn(C[C@H](O)CSCc2cccc3cccnc32)c1 ZINC000601962914 479097716 /nfs/dbraw/zinc/09/77/16/479097716.db2.gz GTTCYRNJQNNGKU-HNNXBMFYSA-N 0 0 344.396 2.634 10 5 EFBERN O=C(NC[C@H]1CCc2cccnc21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598950260 479098153 /nfs/dbraw/zinc/09/81/53/479098153.db2.gz IJDWHNUSLRCZNH-HYVNUMGLSA-N 0 0 337.379 2.940 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCc2cccnc21 ZINC000598951839 479099781 /nfs/dbraw/zinc/09/97/81/479099781.db2.gz YTJCHVOLHHJMKG-LLVKDONJSA-N 0 0 347.321 2.657 10 5 EFBERN Cc1cc(C2(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCOCC2)on1 ZINC000598953917 479099991 /nfs/dbraw/zinc/09/99/91/479099991.db2.gz HIPZKAYRNIRYLW-UHFFFAOYSA-N 0 0 345.355 2.887 10 5 EFBERN Cc1c(NC(=O)c2ccn(C3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000598958214 479100951 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CC(C)(C)C(F)(F)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596069042 479118645 /nfs/dbraw/zinc/11/86/45/479118645.db2.gz JBIIBPSROYVZSC-GFCCVEGCSA-N 0 0 332.347 2.606 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599002444 479121727 /nfs/dbraw/zinc/12/17/27/479121727.db2.gz AMRIHHWIZGOTJI-FZNQNYSPSA-N 0 0 335.404 2.642 10 5 EFBERN COc1cc(NC2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000596076480 479123492 /nfs/dbraw/zinc/12/34/92/479123492.db2.gz SLTCXPXLMRDLBV-UHFFFAOYSA-N 0 0 335.404 2.971 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599004884 479123531 /nfs/dbraw/zinc/12/35/31/479123531.db2.gz VBNSSMJCKRBLGP-NVXWUHKLSA-N 0 0 347.415 2.784 10 5 EFBERN CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599015352 479125576 /nfs/dbraw/zinc/12/55/76/479125576.db2.gz LEVFAMZVOJGACG-HNNXBMFYSA-N 0 0 344.415 2.912 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccncc2)C2CC2)c1 ZINC000593017912 479126798 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COC(=O)c1ccc([N+](=O)[O-])c(CN2CCOCc3ccccc32)c1 ZINC000593029253 479133744 /nfs/dbraw/zinc/13/37/44/479133744.db2.gz QEAIQKADIUSEAY-UHFFFAOYSA-N 0 0 342.351 2.918 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2cnc3c2C[C@H](C)[C@@H](C)C3)c1 ZINC000593031740 479134989 /nfs/dbraw/zinc/13/49/89/479134989.db2.gz LRSWQDQBMQJRLI-RYUDHWBXSA-N 0 0 343.383 2.997 10 5 EFBERN O=C1CCCN1C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599039333 479135092 /nfs/dbraw/zinc/13/50/92/479135092.db2.gz ROAKTIPHWALVKJ-UHFFFAOYSA-N 0 0 340.383 2.734 10 5 EFBERN C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000596097820 479136746 /nfs/dbraw/zinc/13/67/46/479136746.db2.gz GRELNBDAIGFBDA-ZDUSSCGKSA-N 0 0 343.387 2.505 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000599047647 479137844 /nfs/dbraw/zinc/13/78/44/479137844.db2.gz CNZKJLSZZOCWNK-ZDUSSCGKSA-N 0 0 327.262 2.647 10 5 EFBERN C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596102958 479139848 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O=[N+]([O-])c1c2ccncc2ccc1N1CCC(O[C@H]2CCOC2)CC1 ZINC000599057561 479142177 /nfs/dbraw/zinc/14/21/77/479142177.db2.gz YZWHMARQOPKRHQ-HNNXBMFYSA-N 0 0 343.383 2.917 10 5 EFBERN Cn1ccnc1[C@H](NCC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599057417 479142924 /nfs/dbraw/zinc/14/29/24/479142924.db2.gz OXCDXRUXHHAAAM-RHSMWYFYSA-N 0 0 344.415 2.824 10 5 EFBERN Cn1ccnc1[C@@H](NCC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599057416 479143197 /nfs/dbraw/zinc/14/31/97/479143197.db2.gz OXCDXRUXHHAAAM-PBHICJAKSA-N 0 0 344.415 2.824 10 5 EFBERN O=C1C[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])CN1C1CC1 ZINC000599065968 479145786 /nfs/dbraw/zinc/14/57/86/479145786.db2.gz LWBAWXQWWBLYPB-LLVKDONJSA-N 0 0 326.356 2.566 10 5 EFBERN COC(=O)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCOCC1 ZINC000599065794 479146511 /nfs/dbraw/zinc/14/65/11/479146511.db2.gz NNEQHYKYIDCRPU-UHFFFAOYSA-N 0 0 345.355 2.525 10 5 EFBERN Cc1cc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c([N+](=O)[O-])s1 ZINC000596113228 479146429 /nfs/dbraw/zinc/14/64/29/479146429.db2.gz QSUBWAHIJFKESH-LLVKDONJSA-N 0 0 337.376 2.860 10 5 EFBERN Cc1cc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)c([N+](=O)[O-])s1 ZINC000596113229 479146852 /nfs/dbraw/zinc/14/68/52/479146852.db2.gz QSUBWAHIJFKESH-NSHDSACASA-N 0 0 337.376 2.860 10 5 EFBERN COc1cc(NCCOC[C@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596119447 479150130 /nfs/dbraw/zinc/15/01/30/479150130.db2.gz CNNDTRGKDMWNGI-JTQLQIEISA-N 0 0 330.768 2.722 10 5 EFBERN COCCO[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599073226 479150335 /nfs/dbraw/zinc/15/03/35/479150335.db2.gz FYQGHILFIMWWAK-CQSZACIVSA-N 0 0 331.372 2.775 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@](C)(O)C(C)C)ccc1[N+](=O)[O-] ZINC000596122244 479151424 /nfs/dbraw/zinc/15/14/24/479151424.db2.gz MJYCDPPYIRSNRA-AWEZNQCLSA-N 0 0 330.768 2.854 10 5 EFBERN C[C@@H]1OCC[C@]12CN(c1ccc3cnccc3c1[N+](=O)[O-])CCO2 ZINC000599077667 479152558 /nfs/dbraw/zinc/15/25/58/479152558.db2.gz HAGORQDQVZZJLI-SJCJKPOMSA-N 0 0 329.356 2.527 10 5 EFBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N(CCO)CC1CC1 ZINC000553098918 479153182 /nfs/dbraw/zinc/15/31/82/479153182.db2.gz DGHKRAYDSOMFST-UHFFFAOYSA-N 0 0 336.391 2.526 10 5 EFBERN CC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000599081753 479153168 /nfs/dbraw/zinc/15/31/68/479153168.db2.gz LWXIBOPACBLEJV-IWIWMGDJSA-N 0 0 333.413 2.879 10 5 EFBERN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)c2cc(F)ccc21 ZINC000593063386 479153888 /nfs/dbraw/zinc/15/38/88/479153888.db2.gz MHTFZIYQMOQTMQ-UHFFFAOYSA-N 0 0 331.347 2.693 10 5 EFBERN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCOC1 ZINC000593066822 479154311 /nfs/dbraw/zinc/15/43/11/479154311.db2.gz GELNMBMRJRAEFE-AWEZNQCLSA-N 0 0 332.360 2.646 10 5 EFBERN COc1cc(NCC2(C(N)=O)CCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596128294 479154694 /nfs/dbraw/zinc/15/46/94/479154694.db2.gz HAXYSCYDASBECD-UHFFFAOYSA-N 0 0 327.768 2.714 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CCN(CCCF)CC1 ZINC000599092048 479157411 /nfs/dbraw/zinc/15/74/11/479157411.db2.gz DOLKYCYTAVIPEI-UHFFFAOYSA-N 0 0 346.200 2.839 10 5 EFBERN CCCN1C[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC000599089574 479157966 /nfs/dbraw/zinc/15/79/66/479157966.db2.gz DQRGHWQYIVGOSR-GFCCVEGCSA-N 0 0 328.372 2.813 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000596137946 479159210 /nfs/dbraw/zinc/15/92/10/479159210.db2.gz ZBFWNHMCFHVOCH-MRVPVSSYSA-N 0 0 338.751 2.941 10 5 EFBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1c(C)nn(C)c1C ZINC000596141378 479160523 /nfs/dbraw/zinc/16/05/23/479160523.db2.gz KECNOWSFTQTMLL-ZDUSSCGKSA-N 0 0 331.376 2.607 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2cn[nH]c2)c(Br)c1 ZINC000599098094 479160645 /nfs/dbraw/zinc/16/06/45/479160645.db2.gz BPQXKZJODHBBDO-LLVKDONJSA-N 0 0 338.165 2.817 10 5 EFBERN CCO[C@@H](C)c1nc(CN(C)c2ccc(N)c([N+](=O)[O-])n2)cs1 ZINC000596139418 479160830 /nfs/dbraw/zinc/16/08/30/479160830.db2.gz UHTRVMSOEGTWAV-VIFPVBQESA-N 0 0 337.405 2.762 10 5 EFBERN C[C@@H](NC(=O)c1ccn(C2CCOCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000599102608 479161298 /nfs/dbraw/zinc/16/12/98/479161298.db2.gz NGPVQZGMGLSTII-GFCCVEGCSA-N 0 0 344.371 2.634 10 5 EFBERN C[C@@H]1CN(CCNc2ccc3cnccc3c2[N+](=O)[O-])[C@H](C)CO1 ZINC000599105540 479162824 /nfs/dbraw/zinc/16/28/24/479162824.db2.gz YQDGGZRWJAVOCM-CHWSQXEVSA-N 0 0 330.388 2.664 10 5 EFBERN O=C1CCCN1C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599110076 479163722 /nfs/dbraw/zinc/16/37/22/479163722.db2.gz FLZZKZUILMBOIH-ZDUSSCGKSA-N 0 0 340.383 2.592 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)n1 ZINC000599108644 479163934 /nfs/dbraw/zinc/16/39/34/479163934.db2.gz OYVSQPYXKJQTKG-UONOGXRCSA-N 0 0 331.376 2.672 10 5 EFBERN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000593087347 479164400 /nfs/dbraw/zinc/16/44/00/479164400.db2.gz RDUWZRBVQMZBGK-UHFFFAOYSA-N 0 0 343.387 2.703 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](n1cccn1)C(F)(F)F ZINC000599115565 479165294 /nfs/dbraw/zinc/16/52/94/479165294.db2.gz CRVDPWQOTKOAJG-VIFPVBQESA-N 0 0 332.286 2.532 10 5 EFBERN Cc1ccc(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000569735442 479166341 /nfs/dbraw/zinc/16/63/41/479166341.db2.gz YOYMTEDWYASTHQ-UHFFFAOYSA-N 0 0 327.340 2.879 10 5 EFBERN CCOC(=O)Cc1ccc(NCC[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000599116311 479166882 /nfs/dbraw/zinc/16/68/82/479166882.db2.gz GMXWBHFOQBFTJL-ZDUSSCGKSA-N 0 0 336.388 2.929 10 5 EFBERN O=[N+]([O-])c1cnc(NCC[C@@H]2CCCOC2)c(Br)c1 ZINC000599116708 479167299 /nfs/dbraw/zinc/16/72/99/479167299.db2.gz LDNCGLPSZJKKIZ-VIFPVBQESA-N 0 0 330.182 2.981 10 5 EFBERN O=C(NC1CC1)c1ccc(NCC[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000599116457 479167363 /nfs/dbraw/zinc/16/73/63/479167363.db2.gz IVYXENQBTOISAU-GFCCVEGCSA-N 0 0 333.388 2.716 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1CCCOC1 ZINC000599119449 479168047 /nfs/dbraw/zinc/16/80/47/479168047.db2.gz KOJUUMDIRMTONY-HNNXBMFYSA-N 0 0 335.404 2.595 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCCOC1 ZINC000599120748 479168282 /nfs/dbraw/zinc/16/82/82/479168282.db2.gz XHICYELTOLEJDY-CQSZACIVSA-N 0 0 335.404 2.595 10 5 EFBERN Cn1ncc(C(F)(F)F)c1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000599124153 479169523 /nfs/dbraw/zinc/16/95/23/479169523.db2.gz KLHIZULWHUMVID-UHFFFAOYSA-N 0 0 333.245 2.681 10 5 EFBERN COc1cccc(NCc2c(C(F)(F)F)cnn2C)c1[N+](=O)[O-] ZINC000599124951 479170040 /nfs/dbraw/zinc/17/00/40/479170040.db2.gz VOQMAHAEXXIOLZ-UHFFFAOYSA-N 0 0 330.266 2.968 10 5 EFBERN CCOC(=O)c1ccnc(S[C@@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000599124875 479170559 /nfs/dbraw/zinc/17/05/59/479170559.db2.gz CBICWVUAFFWVHL-VIFPVBQESA-N 0 0 326.374 2.826 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1NC[C@]1(CCO)CCOC1 ZINC000596159705 479171669 /nfs/dbraw/zinc/17/16/69/479171669.db2.gz HOXUWVLYFZGKPC-ZDUSSCGKSA-N 0 0 345.193 2.558 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596162349 479173289 /nfs/dbraw/zinc/17/32/89/479173289.db2.gz LMVSWRPNVZFXFZ-IUCAKERBSA-N 0 0 328.752 2.648 10 5 EFBERN O=c1[nH]ccc(N[C@H]2CCN(c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000596164551 479174217 /nfs/dbraw/zinc/17/42/17/479174217.db2.gz NYVIQWCNCGIRAQ-VIFPVBQESA-N 0 0 336.298 2.664 10 5 EFBERN O=c1[nH]c(N2CC[C@H]3CC[C@@H](C2)S3)nc2ccc([N+](=O)[O-])cc21 ZINC000599135413 479174606 /nfs/dbraw/zinc/17/46/06/479174606.db2.gz VHPOLWSETLGFPL-MNOVXSKESA-N 0 0 332.385 2.718 10 5 EFBERN C[C@H](CCNc1c(Br)cccc1[N+](=O)[O-])[S@@](C)=O ZINC000596166886 479175640 /nfs/dbraw/zinc/17/56/40/479175640.db2.gz ZCTQODRTRZKIDK-NTCNTBNZSA-N 0 0 335.223 2.926 10 5 EFBERN COC(=O)c1c(Cl)c(NCC[C@@H](C)[S@](C)=O)ccc1[N+](=O)[O-] ZINC000596166936 479175716 /nfs/dbraw/zinc/17/57/16/479175716.db2.gz ZSLRRXDYODSPPA-PJLCYMMNSA-N 0 0 348.808 2.604 10 5 EFBERN C[C@H](NC(=O)N1CCC[C@](O)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596168987 479176468 /nfs/dbraw/zinc/17/64/68/479176468.db2.gz UYPRVVLWOPGEBB-YVEFUNNKSA-N 0 0 333.388 2.602 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000596169381 479176972 /nfs/dbraw/zinc/17/69/72/479176972.db2.gz IIBAHFNEMXWSDJ-VHSXEESVSA-N 0 0 342.779 2.632 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000596168405 479177437 /nfs/dbraw/zinc/17/74/37/479177437.db2.gz RAAINNCKNIOKRH-JTQLQIEISA-N 0 0 343.836 2.922 10 5 EFBERN Cc1cnc(NCC2(OCCO)CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599138724 479177561 /nfs/dbraw/zinc/17/75/61/479177561.db2.gz JKBFLLWLRFZTMB-UHFFFAOYSA-N 0 0 345.346 2.667 10 5 EFBERN COc1ccc(CN2CC[C@@H]2CNc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000599140471 479179257 /nfs/dbraw/zinc/17/92/57/479179257.db2.gz UIPIGKYYAVTINY-OAHLLOKOSA-N 0 0 342.399 2.993 10 5 EFBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000610760393 479179598 /nfs/dbraw/zinc/17/95/98/479179598.db2.gz FEQKOKHDMXJALI-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)CC2(C)COC2)ccc1[N+](=O)[O-] ZINC000599145038 479180522 /nfs/dbraw/zinc/18/05/22/479180522.db2.gz MRZKECQNAUNGCT-UHFFFAOYSA-N 0 0 328.752 2.508 10 5 EFBERN COc1ccc([C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c(OC)c1 ZINC000599146685 479180543 /nfs/dbraw/zinc/18/05/43/479180543.db2.gz APIPTGWXVNEIAU-JTQLQIEISA-N 0 0 347.371 2.860 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](c1cccnc1)C1CC1 ZINC000593109498 479180957 /nfs/dbraw/zinc/18/09/57/479180957.db2.gz ZEAPIEYFGPXTNQ-KRWDZBQOSA-N 0 0 329.331 2.939 10 5 EFBERN Cc1cc([C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CCO2)ccc1F ZINC000596176192 479181255 /nfs/dbraw/zinc/18/12/55/479181255.db2.gz ALPQUSJFDBLVIV-CQSZACIVSA-N 0 0 333.319 2.721 10 5 EFBERN CCO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000599148203 479181934 /nfs/dbraw/zinc/18/19/34/479181934.db2.gz YMUAUKBFMUYASU-CJNGLKHVSA-N 0 0 339.367 2.550 10 5 EFBERN Cc1c(CNC(=O)c2cc(-c3ccoc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000573948790 479181952 /nfs/dbraw/zinc/18/19/52/479181952.db2.gz VATZOAVAJRMERM-UHFFFAOYSA-N 0 0 326.312 2.816 10 5 EFBERN CCOc1cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000602988828 479182368 /nfs/dbraw/zinc/18/23/68/479182368.db2.gz YOYDIPHHEMANKN-NWDGAFQWSA-N 0 0 348.321 2.596 10 5 EFBERN Cc1cn2c(n1)C[C@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 ZINC000599153452 479183847 /nfs/dbraw/zinc/18/38/47/479183847.db2.gz ZLVQMKSXNMHXQM-SECBINFHSA-N 0 0 331.357 2.941 10 5 EFBERN O=[N+]([O-])c1cc(CN2CC[C@]3(CC3(F)F)C2)c2c(c1)COCO2 ZINC000593116639 479184092 /nfs/dbraw/zinc/18/40/92/479184092.db2.gz NCBUUOYVFZNKRT-AWEZNQCLSA-N 0 0 326.299 2.692 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000596180731 479184291 /nfs/dbraw/zinc/18/42/91/479184291.db2.gz STSPKBZRROFGEP-LLVKDONJSA-N 0 0 342.779 2.775 10 5 EFBERN Cc1cn2c(n1)C[C@@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 ZINC000599153459 479184258 /nfs/dbraw/zinc/18/42/58/479184258.db2.gz ZLVQMKSXNMHXQM-VIFPVBQESA-N 0 0 331.357 2.941 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(C(F)F)o3)n2)n1C ZINC000599153857 479184484 /nfs/dbraw/zinc/18/44/84/479184484.db2.gz LNSZLHIONUWIAV-UHFFFAOYSA-N 0 0 325.231 2.884 10 5 EFBERN COc1cc(N2CCC(n3ccnn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596181823 479186083 /nfs/dbraw/zinc/18/60/83/479186083.db2.gz KBEIZICLALNCJU-UHFFFAOYSA-N 0 0 337.767 2.690 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@]4(CC4(F)F)C3)o2)cc1 ZINC000593118830 479187056 /nfs/dbraw/zinc/18/70/56/479187056.db2.gz YSZRMSDNZLRNHY-AWEZNQCLSA-N 0 0 336.298 2.876 10 5 EFBERN CN1C(=O)c2ccccc2[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599164797 479189701 /nfs/dbraw/zinc/18/97/01/479189701.db2.gz NSJQHGJYUGDWQC-INIZCTEOSA-N 0 0 338.367 2.802 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CCO[C@H](CCF)C1 ZINC000599167558 479191140 /nfs/dbraw/zinc/19/11/40/479191140.db2.gz IXMNFFQYCICAKR-SNVBAGLBSA-N 0 0 333.157 2.922 10 5 EFBERN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000599166660 479191224 /nfs/dbraw/zinc/19/12/24/479191224.db2.gz SLMXYBUAHJENML-SMDDNHRTSA-N 0 0 340.351 2.813 10 5 EFBERN CCC(F)(F)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000599169973 479192430 /nfs/dbraw/zinc/19/24/30/479192430.db2.gz MEPDGGHPTHCMSX-UHFFFAOYSA-N 0 0 340.330 2.963 10 5 EFBERN CC(C)(CNc1ncc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599169857 479193204 /nfs/dbraw/zinc/19/32/04/479193204.db2.gz GPKPJICNWADCHB-UHFFFAOYSA-N 0 0 326.784 2.704 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC000599172997 479193877 /nfs/dbraw/zinc/19/38/77/479193877.db2.gz IAEQPIBEXPMEOF-WBMJQRKESA-N 0 0 331.328 2.646 10 5 EFBERN CC(C)(CNc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)N1CCCC1 ZINC000599170773 479194345 /nfs/dbraw/zinc/19/43/45/479194345.db2.gz RELZJJYBDFCTSA-UHFFFAOYSA-N 0 0 342.399 2.625 10 5 EFBERN Nc1ccc(N2CCC[C@@]3(C2)OCc2ccccc23)nc1[N+](=O)[O-] ZINC000596199908 479195121 /nfs/dbraw/zinc/19/51/21/479195121.db2.gz KJPPPDRTSRRNDL-KRWDZBQOSA-N 0 0 326.356 2.598 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c2ncccc12 ZINC000599174357 479195364 /nfs/dbraw/zinc/19/53/64/479195364.db2.gz WNZZCSLEPHFMHN-YCDSQXFLSA-N 0 0 331.397 2.633 10 5 EFBERN O=[N+]([O-])c1ncccc1N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599178109 479196749 /nfs/dbraw/zinc/19/67/49/479196749.db2.gz AJCJGSNWEPXLNT-UHFFFAOYSA-N 0 0 337.383 2.793 10 5 EFBERN CCc1n[nH]c(C2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)n1 ZINC000596206009 479198201 /nfs/dbraw/zinc/19/82/01/479198201.db2.gz FOMCACNBJXSVBY-UHFFFAOYSA-N 0 0 336.783 2.708 10 5 EFBERN COc1cc(NC[C@H](C)c2nncn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596205140 479198254 /nfs/dbraw/zinc/19/82/54/479198254.db2.gz ZLOQKUPNYVUUJE-QMMMGPOBSA-N 0 0 325.756 2.601 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000599184016 479200342 /nfs/dbraw/zinc/20/03/42/479200342.db2.gz VTIZEYIWMFAXSA-MRXNPFEDSA-N 0 0 342.399 2.611 10 5 EFBERN NC(=O)c1ccnc(NCC2(C(F)(F)F)CCCC2)c1[N+](=O)[O-] ZINC000599184997 479201431 /nfs/dbraw/zinc/20/14/31/479201431.db2.gz OYMONTNRGYTJAY-UHFFFAOYSA-N 0 0 332.282 2.623 10 5 EFBERN Cc1nn(CCc2nc(-c3coc(C4CC4)n3)no2)c(C)c1[N+](=O)[O-] ZINC000599191868 479202505 /nfs/dbraw/zinc/20/25/05/479202505.db2.gz QQOUOPIXVDFRRP-UHFFFAOYSA-N 0 0 344.331 2.566 10 5 EFBERN Cc1noc([C@@H]2OCC[C@@H]2Nc2ccnc3c2cccc3[N+](=O)[O-])n1 ZINC000599195311 479203723 /nfs/dbraw/zinc/20/37/23/479203723.db2.gz KQMKAYWNMXJIBJ-SWLSCSKDSA-N 0 0 341.327 2.777 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000593146620 479203734 /nfs/dbraw/zinc/20/37/34/479203734.db2.gz OFCLWJFEAZAVGK-JKSUJKDBSA-N 0 0 340.383 2.676 10 5 EFBERN CNC(=O)c1ccc(N2CC[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC000599193008 479204419 /nfs/dbraw/zinc/20/44/19/479204419.db2.gz UWKMPNXJTWNUNC-AWEZNQCLSA-N 0 0 341.367 2.654 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599198398 479205100 /nfs/dbraw/zinc/20/51/00/479205100.db2.gz KIWFVSKXDGLRPK-JFILPPLUSA-N 0 0 335.404 2.591 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1C[C@@H](OC)C1 ZINC000599205955 479208027 /nfs/dbraw/zinc/20/80/27/479208027.db2.gz JQCPNGWCIPIWLX-JGZJWPJOSA-N 0 0 326.324 2.748 10 5 EFBERN COC[C@@]1(C)CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 ZINC000599202958 479208604 /nfs/dbraw/zinc/20/86/04/479208604.db2.gz SLCMUWDYYNIMED-MRXNPFEDSA-N 0 0 349.412 2.960 10 5 EFBERN COc1cc(NCC2(S(C)(=O)=O)CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596221352 479208852 /nfs/dbraw/zinc/20/88/52/479208852.db2.gz BFCFVPFCHWJZCB-UHFFFAOYSA-N 0 0 348.808 2.636 10 5 EFBERN COc1cc(N2CCO[C@]3(CCO[C@H]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596224699 479209362 /nfs/dbraw/zinc/20/93/62/479209362.db2.gz ZCSYMWJDSNWWFX-ZUZCIYMTSA-N 0 0 342.779 2.641 10 5 EFBERN O=C1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCN1C1CCC1 ZINC000599206850 479209446 /nfs/dbraw/zinc/20/94/46/479209446.db2.gz SCGVIINZJZTTGZ-OAHLLOKOSA-N 0 0 326.356 2.708 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000596230615 479212602 /nfs/dbraw/zinc/21/26/02/479212602.db2.gz AMVCPUMDJMTUIG-SECBINFHSA-N 0 0 330.768 2.711 10 5 EFBERN CCn1cc(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)cn1 ZINC000596229183 479213186 /nfs/dbraw/zinc/21/31/86/479213186.db2.gz FGHMVYSIHOGFJI-UHFFFAOYSA-N 0 0 338.751 2.863 10 5 EFBERN COc1cc(NC[C@H]2CCN(C(C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596234564 479214814 /nfs/dbraw/zinc/21/48/14/479214814.db2.gz MUKOWVSJGCHMGK-SNVBAGLBSA-N 0 0 327.768 2.537 10 5 EFBERN CC[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@H](C)[S@@]1=O ZINC000596233610 479214854 /nfs/dbraw/zinc/21/48/54/479214854.db2.gz YLSXFMNQVARYRO-QKESZYPNSA-N 0 0 346.836 2.993 10 5 EFBERN Cc1c(C(=O)N2CCC=C(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000602178336 479219297 /nfs/dbraw/zinc/21/92/97/479219297.db2.gz LWPNITGBPKUCLC-UHFFFAOYSA-N 0 0 326.356 2.566 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596247040 479222970 /nfs/dbraw/zinc/22/29/70/479222970.db2.gz KVXVRHVXXNORLX-AOOOYVTPSA-N 0 0 341.795 2.564 10 5 EFBERN Cc1sc(C(N)=O)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000610886860 479223743 /nfs/dbraw/zinc/22/37/43/479223743.db2.gz FWQZFECQFKZBOR-UHFFFAOYSA-N 0 0 325.371 2.686 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000610892600 479225172 /nfs/dbraw/zinc/22/51/72/479225172.db2.gz NPWGVFNPDFRFCA-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593182399 479225340 /nfs/dbraw/zinc/22/53/40/479225340.db2.gz LYDXPQBEOXDGIG-CYBMUJFWSA-N 0 0 327.287 2.866 10 5 EFBERN COc1cc(N2CC[S@@](=O)C(C)(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596257486 479226533 /nfs/dbraw/zinc/22/65/33/479226533.db2.gz OXDQANXGSFVSMD-JOCHJYFZSA-N 0 0 346.836 2.994 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000596257983 479226649 /nfs/dbraw/zinc/22/66/49/479226649.db2.gz FIAIQWSRFQLVIN-SNVBAGLBSA-N 0 0 328.752 2.872 10 5 EFBERN NC(=O)c1cc(NC2CCC(OC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000596260680 479227988 /nfs/dbraw/zinc/22/79/88/479227988.db2.gz JSCFIAPTPOSBQW-UHFFFAOYSA-N 0 0 329.303 2.656 10 5 EFBERN CCN(CC)C(=O)c1cccc(OCc2onc(C)c2[N+](=O)[O-])c1 ZINC000596259184 479228070 /nfs/dbraw/zinc/22/80/70/479228070.db2.gz UGQKEWSKIDKKGP-UHFFFAOYSA-N 0 0 333.344 2.952 10 5 EFBERN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000610906128 479230266 /nfs/dbraw/zinc/23/02/66/479230266.db2.gz CPWPOSUNCRMZIY-UHFFFAOYSA-N 0 0 343.177 2.608 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593189439 479230572 /nfs/dbraw/zinc/23/05/72/479230572.db2.gz PATQZXFMRXSUAK-HUUCEWRRSA-N 0 0 349.387 2.622 10 5 EFBERN NS(=O)(=O)c1ccc(NCC2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000596266101 479230852 /nfs/dbraw/zinc/23/08/52/479230852.db2.gz RSMKILGZLREWJD-UHFFFAOYSA-N 0 0 339.417 2.625 10 5 EFBERN COCCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596278278 479235560 /nfs/dbraw/zinc/23/55/60/479235560.db2.gz NRADYKBZJKZEPO-UHFFFAOYSA-N 0 0 330.768 2.898 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2ccnc(OC)n2)c1 ZINC000593199579 479235649 /nfs/dbraw/zinc/23/56/49/479235649.db2.gz QMZQUGYYZSDSOH-UHFFFAOYSA-N 0 0 349.368 2.613 10 5 EFBERN CCc1cc(CCCn2cnc3sc([N+](=O)[O-])cc3c2=O)on1 ZINC000596280100 479236628 /nfs/dbraw/zinc/23/66/28/479236628.db2.gz AQTKMTNHLYDJRM-UHFFFAOYSA-N 0 0 334.357 2.549 10 5 EFBERN O=C(Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)c1ccc(F)cc1 ZINC000574202177 479241110 /nfs/dbraw/zinc/24/11/10/479241110.db2.gz IOJXFVNMEJXRAQ-UHFFFAOYSA-N 0 0 330.315 2.657 10 5 EFBERN CC(C)(C)OC(=O)CC1(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1 ZINC000596290755 479241289 /nfs/dbraw/zinc/24/12/89/479241289.db2.gz SDRJQKPGGQUSFC-UHFFFAOYSA-N 0 0 349.387 2.760 10 5 EFBERN Cc1cc(C)c2c(c1)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000593217471 479243949 /nfs/dbraw/zinc/24/39/49/479243949.db2.gz NGSZPSRWIALVIM-UHFFFAOYSA-N 0 0 348.380 2.799 10 5 EFBERN O=C(Nc1ccc2c(cnn2C(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000610961882 479244644 /nfs/dbraw/zinc/24/46/44/479244644.db2.gz JUECJCDSTHRTNS-UHFFFAOYSA-N 0 0 333.254 2.987 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)n1 ZINC000593218523 479245485 /nfs/dbraw/zinc/24/54/85/479245485.db2.gz UYCAPDYKVRZROJ-QGZVFWFLSA-N 0 0 346.362 2.754 10 5 EFBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593219330 479245726 /nfs/dbraw/zinc/24/57/26/479245726.db2.gz PXBQYOZEZIEKTD-QGZVFWFLSA-N 0 0 329.331 2.933 10 5 EFBERN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000574226089 479245827 /nfs/dbraw/zinc/24/58/27/479245827.db2.gz OQFGOLXADSAYSV-JOCQHMNTSA-N 0 0 341.371 2.538 10 5 EFBERN CNC(=O)c1ccc(N2CCC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000596306918 479246835 /nfs/dbraw/zinc/24/68/35/479246835.db2.gz UFKJDOJPLZPZRX-AWEZNQCLSA-N 0 0 340.383 2.733 10 5 EFBERN COC(=O)c1cc(N(C)Cc2ccc(OC)nc2)cc(C)c1[N+](=O)[O-] ZINC000610970108 479247098 /nfs/dbraw/zinc/24/70/98/479247098.db2.gz HNLRAARQDPKWNV-UHFFFAOYSA-N 0 0 345.355 2.730 10 5 EFBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000610968213 479247162 /nfs/dbraw/zinc/24/71/62/479247162.db2.gz JLJIIGXMMYXCAY-UHFFFAOYSA-N 0 0 348.309 2.652 10 5 EFBERN COC1(C[C@H]2NC(=O)N([C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000593224112 479248817 /nfs/dbraw/zinc/24/88/17/479248817.db2.gz BOHWUUJTWTZNQQ-BXUZGUMPSA-N 0 0 347.371 2.535 10 5 EFBERN CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@H](CO)Cc1ccccc1 ZINC000596311077 479248880 /nfs/dbraw/zinc/24/88/80/479248880.db2.gz CLJMVFHWIDRWFP-LBPRGKRZSA-N 0 0 344.396 2.639 10 5 EFBERN C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000596313281 479250345 /nfs/dbraw/zinc/25/03/45/479250345.db2.gz QVRCHBVEQAFFBX-NSHDSACASA-N 0 0 335.385 2.609 10 5 EFBERN CO[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596316296 479251519 /nfs/dbraw/zinc/25/15/19/479251519.db2.gz DUFJCOQAPFDVBQ-RNCFNFMXSA-N 0 0 345.193 2.821 10 5 EFBERN CS(=O)(=O)CC1(CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000596318789 479252494 /nfs/dbraw/zinc/25/24/94/479252494.db2.gz YPFIRMCWQXOVOJ-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN CS(=O)(=O)CC1(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596318458 479252571 /nfs/dbraw/zinc/25/25/71/479252571.db2.gz VTVRPIPDUVJBCD-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN CO[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596319634 479252742 /nfs/dbraw/zinc/25/27/42/479252742.db2.gz YTBFZJYOBBKUOD-CABZTGNLSA-N 0 0 345.193 2.821 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CO[C@@H]2CCCc3c[nH]nc32)c1 ZINC000593237222 479254773 /nfs/dbraw/zinc/25/47/73/479254773.db2.gz LIAQRCROJYAFNV-CQSZACIVSA-N 0 0 331.328 2.699 10 5 EFBERN Cc1cc(F)ccc1C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596327273 479255074 /nfs/dbraw/zinc/25/50/74/479255074.db2.gz HNCSDZUIGPUWMG-JTQLQIEISA-N 0 0 332.335 2.579 10 5 EFBERN Cc1cc(F)ccc1C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596327274 479255324 /nfs/dbraw/zinc/25/53/24/479255324.db2.gz HNCSDZUIGPUWMG-SNVBAGLBSA-N 0 0 332.335 2.579 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2cc(C(F)(F)F)c(C)n2)c1 ZINC000593239171 479256554 /nfs/dbraw/zinc/25/65/54/479256554.db2.gz DKXVZMXUOGGBIE-UHFFFAOYSA-N 0 0 343.261 2.953 10 5 EFBERN CO[C@@H](CSCCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596332904 479257124 /nfs/dbraw/zinc/25/71/24/479257124.db2.gz CDBHFZKXAJARMM-WFASDCNBSA-N 0 0 327.402 2.758 10 5 EFBERN CO[C@H](CSCCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596332903 479257663 /nfs/dbraw/zinc/25/76/63/479257663.db2.gz CDBHFZKXAJARMM-SWLSCSKDSA-N 0 0 327.402 2.758 10 5 EFBERN C[C@]1(C2CC2)CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000596335081 479257756 /nfs/dbraw/zinc/25/77/56/479257756.db2.gz OEYJASYPEHRGDH-CYBMUJFWSA-N 0 0 342.193 2.758 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000596333760 479257882 /nfs/dbraw/zinc/25/78/82/479257882.db2.gz KMBLGDSOYHWDIL-GOSISDBHSA-N 0 0 347.415 2.738 10 5 EFBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCc2ccc(F)cc21 ZINC000593247966 479259455 /nfs/dbraw/zinc/25/94/55/479259455.db2.gz FVIVRZJXJKLQBU-NSHDSACASA-N 0 0 331.347 2.874 10 5 EFBERN CC[C@@H](OCCNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000593251573 479261184 /nfs/dbraw/zinc/26/11/84/479261184.db2.gz LBURGCLHZQAXFL-MRXNPFEDSA-N 0 0 331.372 2.831 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2ncccc2C1 ZINC000611007399 479261406 /nfs/dbraw/zinc/26/14/06/479261406.db2.gz JXGSXECSKYLVPF-UHFFFAOYSA-N 0 0 329.381 2.667 10 5 EFBERN CC[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](CC)CO1 ZINC000593256057 479262491 /nfs/dbraw/zinc/26/24/91/479262491.db2.gz HQBYTWKFBJMELA-JQWIXIFHSA-N 0 0 342.342 2.832 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cccnc3N3CCCC3)nc2c1 ZINC000596356153 479264175 /nfs/dbraw/zinc/26/41/75/479264175.db2.gz GTPVRSMMNIHZDD-UHFFFAOYSA-N 0 0 338.371 2.500 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000596359267 479265476 /nfs/dbraw/zinc/26/54/76/479265476.db2.gz FRQZVSLWXBWAAO-YSVLISHTSA-N 0 0 345.399 2.543 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000596359264 479265545 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CN(CCc1cccs1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000557419238 479276896 /nfs/dbraw/zinc/27/68/96/479276896.db2.gz CJOHDWUNDACZIF-UHFFFAOYSA-N 0 0 330.369 2.984 10 5 EFBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC2(CC(F)C2)C1 ZINC000611077327 479278094 /nfs/dbraw/zinc/27/80/94/479278094.db2.gz YJCVBXLEVJSPNH-UHFFFAOYSA-N 0 0 347.390 2.772 10 5 EFBERN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593292955 479280170 /nfs/dbraw/zinc/28/01/70/479280170.db2.gz CVXWHTZIRDEXAS-AWEZNQCLSA-N 0 0 333.388 2.810 10 5 EFBERN CCC(NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000599395471 479282164 /nfs/dbraw/zinc/28/21/64/479282164.db2.gz DEXLWXRDQIKXKZ-UHFFFAOYSA-N 0 0 338.429 2.983 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 ZINC000611103828 479283106 /nfs/dbraw/zinc/28/31/06/479283106.db2.gz BHNFNXRNGDEXSF-HNNXBMFYSA-N 0 0 347.415 2.511 10 5 EFBERN CC[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599395655 479283511 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EFBERN CO[C@@]1(CO)CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000596428507 479291289 /nfs/dbraw/zinc/29/12/89/479291289.db2.gz IQBJNVJZGUGGQN-SFHVURJKSA-N 0 0 343.383 2.635 10 5 EFBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1Br)n1ccnc1 ZINC000585117980 479291954 /nfs/dbraw/zinc/29/19/54/479291954.db2.gz LPGPKPMPCKMHSM-UHFFFAOYSA-N 0 0 340.181 2.796 10 5 EFBERN CC[C@H](NC(=O)NCc1cc(C)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000611135174 479292097 /nfs/dbraw/zinc/29/20/97/479292097.db2.gz CMDUDEDCCOFLCV-HNNXBMFYSA-N 0 0 329.360 2.644 10 5 EFBERN CO[C@@]1(CO)CCCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000596428374 479292166 /nfs/dbraw/zinc/29/21/66/479292166.db2.gz FMYGIHGTIQZKBV-AWEZNQCLSA-N 0 0 348.321 2.900 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C2(CCC2)CO1 ZINC000593318914 479292500 /nfs/dbraw/zinc/29/25/00/479292500.db2.gz HLGCKGMYRAOHKR-SNVBAGLBSA-N 0 0 340.326 2.586 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C2(CCC2)CO1 ZINC000593318187 479292753 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C[C@@H](C(=O)NC1(C(F)(F)F)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000557633172 479297374 /nfs/dbraw/zinc/29/73/74/479297374.db2.gz DXPAKUASSZDOLU-SNVBAGLBSA-N 0 0 346.305 2.926 10 5 EFBERN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ncnn21 ZINC000596445949 479297861 /nfs/dbraw/zinc/29/78/61/479297861.db2.gz AYQJTXVBGPVVMQ-WRWORJQWSA-N 0 0 336.739 2.667 10 5 EFBERN COc1ccc(C(=O)Nc2cnn(C)c2C(F)F)cc1[N+](=O)[O-] ZINC000611158582 479297923 /nfs/dbraw/zinc/29/79/23/479297923.db2.gz NEIAZSFPZFLFMI-UHFFFAOYSA-N 0 0 326.259 2.527 10 5 EFBERN COCCN(CCF)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000596445587 479298391 /nfs/dbraw/zinc/29/83/91/479298391.db2.gz FNPQPPVURWMKJF-UHFFFAOYSA-N 0 0 349.362 2.991 10 5 EFBERN COC(=O)c1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)nc1 ZINC000599443030 479298987 /nfs/dbraw/zinc/29/89/87/479298987.db2.gz HCNCFKWHRMMOQG-UHFFFAOYSA-N 0 0 329.356 2.717 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)C(O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000596453123 479300712 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EFBERN Cc1c(NC(=O)[C@H](C)N2CC3(C2)CC(F)(F)C3)cccc1[N+](=O)[O-] ZINC000611180346 479305306 /nfs/dbraw/zinc/30/53/06/479305306.db2.gz DTGSMCLAMXKDNP-NSHDSACASA-N 0 0 339.342 2.961 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(CN3CC4(C3)CC(F)(F)C4)n2)c1 ZINC000611180626 479305527 /nfs/dbraw/zinc/30/55/27/479305527.db2.gz MSECVAGETMLFSE-UHFFFAOYSA-N 0 0 336.298 2.876 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599459402 479305580 /nfs/dbraw/zinc/30/55/80/479305580.db2.gz IVUHLTCDZXMBLA-NWDGAFQWSA-N 0 0 338.410 2.799 10 5 EFBERN O=C(CN1CC2(C1)CC(F)(F)C2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611180578 479305632 /nfs/dbraw/zinc/30/56/32/479305632.db2.gz LNIRXCVUQSBLIT-UHFFFAOYSA-N 0 0 345.733 2.918 10 5 EFBERN COc1cc(N2CCC[C@@](O)(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596463729 479306143 /nfs/dbraw/zinc/30/61/43/479306143.db2.gz PIOVDVUIHYZFTJ-HNNXBMFYSA-N 0 0 326.780 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)CC2=CCCOC2)ccc1[N+](=O)[O-] ZINC000596466338 479306722 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EFBERN CS(=O)(=O)[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593475973 479358774 /nfs/dbraw/zinc/35/87/74/479358774.db2.gz VPSUUHZTVDDHMZ-ZDUSSCGKSA-N 0 0 349.412 2.547 10 5 EFBERN O=[N+]([O-])c1ccccc1CN1CCc2nnc(N3CCCC3)cc2C1 ZINC000596617163 479360779 /nfs/dbraw/zinc/36/07/79/479360779.db2.gz CPWTUBCRLBYABW-UHFFFAOYSA-N 0 0 339.399 2.543 10 5 EFBERN Cc1nn(C)c(-c2nc(C(C)(C)c3ccc(C)cn3)no2)c1[N+](=O)[O-] ZINC000596619266 479360807 /nfs/dbraw/zinc/36/08/07/479360807.db2.gz FVQWPAHCDWUOGC-UHFFFAOYSA-N 0 0 342.359 2.716 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnn1C1CCOCC1 ZINC000596621070 479361555 /nfs/dbraw/zinc/36/15/55/479361555.db2.gz RHXCIQVBZKBEDR-UHFFFAOYSA-N 0 0 330.344 2.704 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@]2(CO)CCc3ccccc32)c(Cl)c1 ZINC000593484009 479362226 /nfs/dbraw/zinc/36/22/26/479362226.db2.gz LCAFBPLCBCCBLK-INIZCTEOSA-N 0 0 333.775 2.932 10 5 EFBERN CC[C@@H](OCCNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000593488535 479363393 /nfs/dbraw/zinc/36/33/93/479363393.db2.gz KXFCETUPNHPBSS-CQSZACIVSA-N 0 0 344.371 2.669 10 5 EFBERN Cc1cc(N2CCn3c(CC4CC4)nnc3C2)c(F)cc1[N+](=O)[O-] ZINC000593487588 479363457 /nfs/dbraw/zinc/36/34/57/479363457.db2.gz SINCKROXJQJIQA-UHFFFAOYSA-N 0 0 331.351 2.607 10 5 EFBERN CCC[C@H](C)[C@H](CO)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593487028 479363832 /nfs/dbraw/zinc/36/38/32/479363832.db2.gz KYUAIGCRLXUQOK-NHYWBVRUSA-N 0 0 335.404 2.696 10 5 EFBERN CCOc1cccc(N2CCn3c(CC4CC4)nnc3C2)c1[N+](=O)[O-] ZINC000593490714 479364266 /nfs/dbraw/zinc/36/42/66/479364266.db2.gz QFEFTXMOKXCLNA-UHFFFAOYSA-N 0 0 343.387 2.558 10 5 EFBERN CCC(=O)c1ccc(NCc2ncc3c(n2)CCOC3)c([N+](=O)[O-])c1 ZINC000593489023 479364782 /nfs/dbraw/zinc/36/47/82/479364782.db2.gz OLDVKVKHVULORY-UHFFFAOYSA-N 0 0 342.355 2.662 10 5 EFBERN COc1cccc2c1CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000599642052 479365338 /nfs/dbraw/zinc/36/53/38/479365338.db2.gz CDNOCAPAGUEBKZ-UHFFFAOYSA-N 0 0 341.367 2.582 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C2CC2)C2CCOCC2)c1[N+](=O)[O-] ZINC000593492238 479365545 /nfs/dbraw/zinc/36/55/45/479365545.db2.gz UXSCLQBSLCTKIQ-AWEZNQCLSA-N 0 0 349.387 2.702 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](C2CC2)C2CCOCC2)c1[N+](=O)[O-] ZINC000593494041 479365592 /nfs/dbraw/zinc/36/55/92/479365592.db2.gz YBUYXPITQWXITF-AWEZNQCLSA-N 0 0 349.387 2.784 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(O)CCC(F)(F)CC1 ZINC000596636503 479365916 /nfs/dbraw/zinc/36/59/16/479365916.db2.gz MPPVNRNWLDMTRN-UHFFFAOYSA-N 0 0 343.330 2.965 10 5 EFBERN COC(=O)c1oc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000599645082 479366290 /nfs/dbraw/zinc/36/62/90/479366290.db2.gz MCUPWZJJIBSCJH-UHFFFAOYSA-N 0 0 346.339 2.948 10 5 EFBERN CCN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000593495028 479366457 /nfs/dbraw/zinc/36/64/57/479366457.db2.gz CTXNGYOEHPITPQ-SECBINFHSA-N 0 0 330.182 2.758 10 5 EFBERN Cc1cn2c(n1)C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000599648025 479366861 /nfs/dbraw/zinc/36/68/61/479366861.db2.gz YECBGSUMRZTNBD-CYBMUJFWSA-N 0 0 342.399 2.714 10 5 EFBERN COC(=O)[C@@](C)(NCc1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000599647256 479367375 /nfs/dbraw/zinc/36/73/75/479367375.db2.gz BJOPUTJTFFAJAA-HNNXBMFYSA-N 0 0 335.385 2.538 10 5 EFBERN Cc1cn2c(n1)C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000599648026 479367392 /nfs/dbraw/zinc/36/73/92/479367392.db2.gz YECBGSUMRZTNBD-ZDUSSCGKSA-N 0 0 342.399 2.714 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCC(Cn2cnnc2)CC1 ZINC000593500264 479367685 /nfs/dbraw/zinc/36/76/85/479367685.db2.gz OJSZYOHEOQHWDR-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN C[C@H]1C[C@H]1c1noc(CC2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000593501606 479368041 /nfs/dbraw/zinc/36/80/41/479368041.db2.gz JKNOVBNTJLAXAJ-WCQYABFASA-N 0 0 343.387 2.955 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599648862 479368876 /nfs/dbraw/zinc/36/88/76/479368876.db2.gz BIBCMVRUHLQTNG-LALPHHSUSA-N 0 0 336.363 2.898 10 5 EFBERN COC(=O)[C@](C)(NCc1ncc(C2CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC000599648708 479368933 /nfs/dbraw/zinc/36/89/33/479368933.db2.gz DFLREKMGSJUCPL-QGZVFWFLSA-N 0 0 345.355 2.638 10 5 EFBERN Nc1cc(Nc2ccc(N3CCCCC3)nc2)cc(CO)c1[N+](=O)[O-] ZINC000587096741 479369741 /nfs/dbraw/zinc/36/97/41/479369741.db2.gz MCQOCUSUDVIIMG-UHFFFAOYSA-N 0 0 343.387 2.798 10 5 EFBERN Cc1ccc(OCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c(C)c1 ZINC000587019756 479369851 /nfs/dbraw/zinc/36/98/51/479369851.db2.gz RFTOVUACMOEWIV-UHFFFAOYSA-N 0 0 331.372 2.777 10 5 EFBERN COc1ccc(C)cc1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587036199 479369900 /nfs/dbraw/zinc/36/99/00/479369900.db2.gz NZARVHAYNQNZIS-UHFFFAOYSA-N 0 0 331.372 2.641 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2C[S@@]3=O)nc1-c1ccc(F)cc1 ZINC000593510971 479371444 /nfs/dbraw/zinc/37/14/44/479371444.db2.gz QQSJDFXRBPTVFL-ORPWPGRKSA-N 0 0 347.371 2.506 10 5 EFBERN Cc1sc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000587416098 479371557 /nfs/dbraw/zinc/37/15/57/479371557.db2.gz NHLJLYYWGKKTII-LHLIQPBNSA-N 0 0 338.307 2.757 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2cc(Cl)ccc2OCCO)c1 ZINC000596647900 479371554 /nfs/dbraw/zinc/37/15/54/479371554.db2.gz YROIRFQGRVZHSS-UHFFFAOYSA-N 0 0 337.759 2.821 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000587425014 479371687 /nfs/dbraw/zinc/37/16/87/479371687.db2.gz ADIOVZPSKGHRTE-CABZTGNLSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000587425015 479371714 /nfs/dbraw/zinc/37/17/14/479371714.db2.gz ADIOVZPSKGHRTE-JOYOIKCWSA-N 0 0 332.278 2.695 10 5 EFBERN COC(=O)[C@@](C)(NCCc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000599653992 479372115 /nfs/dbraw/zinc/37/21/15/479372115.db2.gz PVFXANAIAYRDIW-INIZCTEOSA-N 0 0 349.412 2.580 10 5 EFBERN C[C@@H]1Cc2ccccc2N1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587543263 479372419 /nfs/dbraw/zinc/37/24/19/479372419.db2.gz JXHXKKQNROOXIS-GFCCVEGCSA-N 0 0 342.399 2.532 10 5 EFBERN C[C@@H](COc1cccc(F)c1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587473005 479373128 /nfs/dbraw/zinc/37/31/28/479373128.db2.gz GDNRLRQCIYJKKQ-JTQLQIEISA-N 0 0 335.335 2.688 10 5 EFBERN COC(=O)[C@](C)(NCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599655055 479373003 /nfs/dbraw/zinc/37/30/03/479373003.db2.gz VBUOYJRLXRSMGM-NVXWUHKLSA-N 0 0 336.388 2.532 10 5 EFBERN COC(=O)[C@@](C)(NCCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000599655749 479373155 /nfs/dbraw/zinc/37/31/55/479373155.db2.gz WUIANQJGIMILLL-SFHVURJKSA-N 0 0 346.358 2.954 10 5 EFBERN C[C@@H](NC(=O)NCCc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC000611418755 479374142 /nfs/dbraw/zinc/37/41/42/479374142.db2.gz RZQYEBLOTBCVIC-CYBMUJFWSA-N 0 0 343.383 2.690 10 5 EFBERN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCc2ccc(F)cc21 ZINC000593518914 479375456 /nfs/dbraw/zinc/37/54/56/479375456.db2.gz VWPPJLTZNWMXGD-LLVKDONJSA-N 0 0 341.346 2.943 10 5 EFBERN COC(=O)c1cc(N2CC[C@@]3(CC3(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000593520685 479375882 /nfs/dbraw/zinc/37/58/82/479375882.db2.gz IZVJWGZNPFUYKH-CQSZACIVSA-N 0 0 326.299 2.925 10 5 EFBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(C)cc1 ZINC000593525069 479377490 /nfs/dbraw/zinc/37/74/90/479377490.db2.gz HATPRYJNYGUXJR-AWEZNQCLSA-N 0 0 335.385 2.728 10 5 EFBERN COc1cc(Cl)ccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587973477 479377758 /nfs/dbraw/zinc/37/77/58/479377758.db2.gz MTBALXSRESVHGD-UHFFFAOYSA-N 0 0 337.763 2.943 10 5 EFBERN CC(=O)c1cc(N2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000587975751 479378109 /nfs/dbraw/zinc/37/81/09/479378109.db2.gz VVZXXIFNIORJHT-CQSZACIVSA-N 0 0 345.399 2.636 10 5 EFBERN Nc1cc(NC[C@H]2CCOc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000587973705 479378208 /nfs/dbraw/zinc/37/82/08/479378208.db2.gz VMMDVDKXGATPOS-LLVKDONJSA-N 0 0 329.356 2.648 10 5 EFBERN Nc1cc(N[C@@H]2CCOc3ccc(F)cc32)cc(CO)c1[N+](=O)[O-] ZINC000587974353 479378378 /nfs/dbraw/zinc/37/83/78/479378378.db2.gz YHWKZZPFSGXNED-CQSZACIVSA-N 0 0 333.319 2.744 10 5 EFBERN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593533159 479378573 /nfs/dbraw/zinc/37/85/73/479378573.db2.gz JTZCMHJSLDBSNQ-OAHLLOKOSA-N 0 0 347.396 2.824 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000593532725 479379244 /nfs/dbraw/zinc/37/92/44/479379244.db2.gz YZPRNHXEKJPGDW-XBFCOCLRSA-N 0 0 339.417 2.579 10 5 EFBERN Cc1ccccc1[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000587985116 479379206 /nfs/dbraw/zinc/37/92/06/479379206.db2.gz SWBJUYVEGASMAS-KRWDZBQOSA-N 0 0 343.383 2.556 10 5 EFBERN Nc1cc(NCCc2c[nH]c3ccc(F)cc23)cc(CO)c1[N+](=O)[O-] ZINC000587980048 479379212 /nfs/dbraw/zinc/37/92/12/479379212.db2.gz QSQQRDCDECOMTA-UHFFFAOYSA-N 0 0 344.346 2.944 10 5 EFBERN C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596665443 479379301 /nfs/dbraw/zinc/37/93/01/479379301.db2.gz MGKPXGBUKAOFIN-AWEZNQCLSA-N 0 0 342.399 2.977 10 5 EFBERN Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593531974 479379300 /nfs/dbraw/zinc/37/93/00/479379300.db2.gz LCEUCDCJHQJEPY-LBPRGKRZSA-N 0 0 335.385 2.680 10 5 EFBERN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000593535361 479379649 /nfs/dbraw/zinc/37/96/49/479379649.db2.gz XVUMSLWXFOJGDJ-CYBMUJFWSA-N 0 0 349.412 2.988 10 5 EFBERN Cc1ccc(O[C@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587986854 479379754 /nfs/dbraw/zinc/37/97/54/479379754.db2.gz IWVDLHQMGKNPNS-GFCCVEGCSA-N 0 0 331.372 2.857 10 5 EFBERN COc1cccc(O[C@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587986864 479380164 /nfs/dbraw/zinc/38/01/64/479380164.db2.gz KNCVLKJEEKOGRD-LLVKDONJSA-N 0 0 347.371 2.557 10 5 EFBERN CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593538633 479380867 /nfs/dbraw/zinc/38/08/67/479380867.db2.gz QQFUQYIKRSNMIW-UHFFFAOYSA-N 0 0 349.412 2.837 10 5 EFBERN Nc1cc(N2CCc3c(F)ccc(F)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000587994013 479380932 /nfs/dbraw/zinc/38/09/32/479380932.db2.gz JKYYVKNTPWVLFK-UHFFFAOYSA-N 0 0 335.310 2.510 10 5 EFBERN Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444924 479382975 /nfs/dbraw/zinc/38/29/75/479382975.db2.gz GOJWFHICRKHGBF-CQSZACIVSA-N 0 0 341.289 2.955 10 5 EFBERN CC[C@@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542858 479383282 /nfs/dbraw/zinc/38/32/82/479383282.db2.gz KLFDKJPXHJCPKU-GHMZBOCLSA-N 0 0 327.406 2.578 10 5 EFBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000593542654 479383294 /nfs/dbraw/zinc/38/32/94/479383294.db2.gz JXYRLOSWFUCXBX-LBPRGKRZSA-N 0 0 349.412 2.634 10 5 EFBERN Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000593545579 479383457 /nfs/dbraw/zinc/38/34/57/479383457.db2.gz NNLFIFQGDOGJBD-INIZCTEOSA-N 0 0 347.396 2.728 10 5 EFBERN C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588014061 479383622 /nfs/dbraw/zinc/38/36/22/479383622.db2.gz NXCROQRMHUXXRH-PSASIEDQSA-N 0 0 333.310 2.837 10 5 EFBERN Nc1cc(NCCc2nc3c(s2)CCCC3)cc(CO)c1[N+](=O)[O-] ZINC000588009339 479383792 /nfs/dbraw/zinc/38/37/92/479383792.db2.gz RVUYSQFIRFLQJB-UHFFFAOYSA-N 0 0 348.428 2.659 10 5 EFBERN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593547032 479384345 /nfs/dbraw/zinc/38/43/45/479384345.db2.gz BNIAIOXYRRUUQQ-CYBMUJFWSA-N 0 0 349.412 2.550 10 5 EFBERN C[C@H]1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2)C1 ZINC000588014755 479384587 /nfs/dbraw/zinc/38/45/87/479384587.db2.gz YIPGPPBASXMRBW-SGTLLEGYSA-N 0 0 344.415 2.802 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000599675864 479385316 /nfs/dbraw/zinc/38/53/16/479385316.db2.gz UXEYMCPBBKIDKG-SJCJKPOMSA-N 0 0 333.388 2.806 10 5 EFBERN CN(CC1(c2ccccc2)CC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588026877 479385493 /nfs/dbraw/zinc/38/54/93/479385493.db2.gz RURVFIMXGFUPKI-UHFFFAOYSA-N 0 0 327.384 2.837 10 5 EFBERN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC2(CCCC2)O1 ZINC000588028108 479385631 /nfs/dbraw/zinc/38/56/31/479385631.db2.gz UNGSLQNSCPZVPQ-UHFFFAOYSA-N 0 0 335.404 2.597 10 5 EFBERN C[C@]12CCCC[C@H]1CN2CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599675536 479385865 /nfs/dbraw/zinc/38/58/65/479385865.db2.gz RBGNDIFZMDDFBU-GTNSWQLSSA-N 0 0 347.371 2.527 10 5 EFBERN Cc1cc(C)cc(C[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593554811 479386188 /nfs/dbraw/zinc/38/61/88/479386188.db2.gz GOFKIMZEFMJEOO-CYBMUJFWSA-N 0 0 349.412 2.516 10 5 EFBERN CSCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603451383 479387915 /nfs/dbraw/zinc/38/79/15/479387915.db2.gz UHZYBANFCYXHQG-LBPRGKRZSA-N 0 0 337.445 2.924 10 5 EFBERN CC(C)CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562847 479388515 /nfs/dbraw/zinc/38/85/15/479388515.db2.gz OWPKEVROTLYZRN-ZDUSSCGKSA-N 0 0 341.433 2.969 10 5 EFBERN CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562319 479388637 /nfs/dbraw/zinc/38/86/37/479388637.db2.gz FJWZFAGUMGLTPK-LBPRGKRZSA-N 0 0 327.406 2.579 10 5 EFBERN C[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593567279 479389105 /nfs/dbraw/zinc/38/91/05/479389105.db2.gz BHSLXWDCEZJWLS-ZBEGNZNMSA-N 0 0 347.396 2.592 10 5 EFBERN CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000593563937 479389304 /nfs/dbraw/zinc/38/93/04/479389304.db2.gz UYHGJQJUGXSUPO-CYBMUJFWSA-N 0 0 327.406 2.627 10 5 EFBERN C[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593567277 479389727 /nfs/dbraw/zinc/38/97/27/479389727.db2.gz BHSLXWDCEZJWLS-MEDUHNTESA-N 0 0 347.396 2.592 10 5 EFBERN Nc1cc(NCC2(c3ccccn3)CCC2)cc(CO)c1[N+](=O)[O-] ZINC000588079593 479390221 /nfs/dbraw/zinc/39/02/21/479390221.db2.gz IVDGRBUAHFYYFD-UHFFFAOYSA-N 0 0 328.372 2.598 10 5 EFBERN CC1(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000575019865 479390388 /nfs/dbraw/zinc/39/03/88/479390388.db2.gz XZOHBRIJCKWZCO-UHFFFAOYSA-N 0 0 332.404 2.609 10 5 EFBERN CCCC1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593582395 479393387 /nfs/dbraw/zinc/39/33/87/479393387.db2.gz PMDMUMIZURHNFA-UHFFFAOYSA-N 0 0 341.433 2.969 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](F)C2)c1C ZINC000611496895 479395076 /nfs/dbraw/zinc/39/50/76/479395076.db2.gz CRJDCLZOJRZWNH-RNCFNFMXSA-N 0 0 330.381 2.580 10 5 EFBERN Cc1ccc(NC(=O)NCC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599694232 479395477 /nfs/dbraw/zinc/39/54/77/479395477.db2.gz FTNXBGYRBFTCGT-UHFFFAOYSA-N 0 0 348.403 2.673 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)c1C ZINC000611497134 479396162 /nfs/dbraw/zinc/39/61/62/479396162.db2.gz QFCLBWIMZBVLGX-ZYHUDNBSSA-N 0 0 330.381 2.580 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1F ZINC000611496935 479396767 /nfs/dbraw/zinc/39/67/67/479396767.db2.gz FWUQHWNNUPCVQJ-SCZZXKLOSA-N 0 0 336.772 2.617 10 5 EFBERN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1F ZINC000611501768 479397128 /nfs/dbraw/zinc/39/71/28/479397128.db2.gz IEIUGKXONBKFOQ-DGCLKSJQSA-N 0 0 337.351 2.573 10 5 EFBERN CN(C(C)(C)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593592189 479397195 /nfs/dbraw/zinc/39/71/95/479397195.db2.gz HBOAKLPQYDWMFA-UHFFFAOYSA-N 0 0 335.385 2.546 10 5 EFBERN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000611502715 479397556 /nfs/dbraw/zinc/39/75/56/479397556.db2.gz XFUYPCQCDHBCTD-GMXVVIOVSA-N 0 0 339.367 2.610 10 5 EFBERN CCC[C@@H](C)S(=O)(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593597111 479397686 /nfs/dbraw/zinc/39/76/86/479397686.db2.gz VZCDKHHRMXWSPC-LLVKDONJSA-N 0 0 339.417 2.727 10 5 EFBERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000593596545 479397699 /nfs/dbraw/zinc/39/76/99/479397699.db2.gz AMWPMCGAWJYZNE-OAHLLOKOSA-N 0 0 347.396 2.654 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000599701293 479397727 /nfs/dbraw/zinc/39/77/27/479397727.db2.gz DOOXVUSNXVFGMU-ZANVPECISA-N 0 0 325.752 2.937 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1F ZINC000611506899 479399851 /nfs/dbraw/zinc/39/98/51/479399851.db2.gz SYDVTJCEBCRUGD-RISCZKNCSA-N 0 0 332.335 2.601 10 5 EFBERN Cc1ccccc1C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593604224 479400241 /nfs/dbraw/zinc/40/02/41/479400241.db2.gz YRJBHZLGDXIQNM-UHFFFAOYSA-N 0 0 335.385 2.512 10 5 EFBERN Cc1ccccc1C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000593616993 479403365 /nfs/dbraw/zinc/40/33/65/479403365.db2.gz HTHWKRNCBRHRSL-UHFFFAOYSA-N 0 0 347.396 2.656 10 5 EFBERN Nc1cc(NCc2cn3cc(Cl)ccc3n2)cc(CO)c1[N+](=O)[O-] ZINC000611525168 479404495 /nfs/dbraw/zinc/40/44/95/479404495.db2.gz GXBVNLZFWNVWRI-UHFFFAOYSA-N 0 0 347.762 2.583 10 5 EFBERN Nc1cc(NCc2ccccc2OC(F)F)cc(CO)c1[N+](=O)[O-] ZINC000611525085 479404539 /nfs/dbraw/zinc/40/45/39/479404539.db2.gz BUMJDAWAGMIUFT-UHFFFAOYSA-N 0 0 339.298 2.883 10 5 EFBERN Nc1cc(N2CCC(c3ccc(O)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525194 479404594 /nfs/dbraw/zinc/40/45/94/479404594.db2.gz JXNMDPUVVCZESX-UHFFFAOYSA-N 0 0 343.383 2.759 10 5 EFBERN Nc1cc(N2CCC[C@H]2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000611525187 479404918 /nfs/dbraw/zinc/40/49/18/479404918.db2.gz JPXBHOYPFGDPPB-HNNXBMFYSA-N 0 0 327.384 2.881 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525993 479406053 /nfs/dbraw/zinc/40/60/53/479406053.db2.gz XYMAKFOOHVKZBV-UHFFFAOYSA-N 0 0 348.428 2.641 10 5 EFBERN CC(C)(C)CC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603585852 479408947 /nfs/dbraw/zinc/40/89/47/479408947.db2.gz IKBYZMKRGSLIPR-UHFFFAOYSA-N 0 0 348.403 2.707 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000593656230 479414415 /nfs/dbraw/zinc/41/44/15/479414415.db2.gz DIHBISOGFFVQOB-CHWSQXEVSA-N 0 0 328.372 2.914 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC12CCCC2 ZINC000593661533 479415530 /nfs/dbraw/zinc/41/55/30/479415530.db2.gz RXIDTCCPJLFYQB-UHFFFAOYSA-N 0 0 331.372 2.695 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC12CCCC2 ZINC000593660737 479415897 /nfs/dbraw/zinc/41/58/97/479415897.db2.gz CNRVMUJZCLSFBB-UHFFFAOYSA-N 0 0 331.372 2.641 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000593665552 479416945 /nfs/dbraw/zinc/41/69/45/479416945.db2.gz HZNAKAKUNJDQKD-CYBMUJFWSA-N 0 0 346.355 2.631 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c1C ZINC000593665927 479417006 /nfs/dbraw/zinc/41/70/06/479417006.db2.gz OACXJYDGDHZNHL-ZDUSSCGKSA-N 0 0 346.355 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2[C@@H](C)C[C@@H]2C)c1 ZINC000593668404 479417323 /nfs/dbraw/zinc/41/73/23/479417323.db2.gz ACZRAFPXYDNGIH-STQMWFEESA-N 0 0 328.372 2.771 10 5 EFBERN COC(=O)c1cnc(N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000575196919 479419452 /nfs/dbraw/zinc/41/94/52/479419452.db2.gz PCDXPFHXBUGGGW-SECBINFHSA-N 0 0 349.368 2.604 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])NC1(c2c(F)cccc2F)CCC1 ZINC000599767319 479419541 /nfs/dbraw/zinc/41/95/41/479419541.db2.gz VKDAUZNBPIPNNR-UHFFFAOYSA-N 0 0 348.309 2.891 10 5 EFBERN CO[C@H]1C[C@H](c2nc(C)no2)N(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588533639 479421522 /nfs/dbraw/zinc/42/15/22/479421522.db2.gz WQIPKJGZRAKYIF-VKDHPCIHSA-N 0 0 344.371 2.761 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000611576369 479421799 /nfs/dbraw/zinc/42/17/99/479421799.db2.gz CBXZBOBEEATDQJ-GFCCVEGCSA-N 0 0 329.303 2.508 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](CCF)C1 ZINC000599779637 479423364 /nfs/dbraw/zinc/42/33/64/479423364.db2.gz OJQIEFFXHYUYBR-GFCCVEGCSA-N 0 0 325.340 2.804 10 5 EFBERN O=C(NCc1ccc(Cl)o1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000603732538 479423774 /nfs/dbraw/zinc/42/37/74/479423774.db2.gz UIVDZFRCWHAJFY-UHFFFAOYSA-N 0 0 346.730 2.957 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](CCF)C1 ZINC000599786638 479424929 /nfs/dbraw/zinc/42/49/29/479424929.db2.gz JFGRKZRKZQCGTF-CYBMUJFWSA-N 0 0 325.340 2.750 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c(C(F)(F)F)cnn1C ZINC000596777254 479424971 /nfs/dbraw/zinc/42/49/71/479424971.db2.gz XCLXWMCQABCGEO-UHFFFAOYSA-N 0 0 342.277 2.619 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611586328 479425187 /nfs/dbraw/zinc/42/51/87/479425187.db2.gz NGUGIXDXNCYRFF-NSHDSACASA-N 0 0 344.314 2.594 10 5 EFBERN COCc1ccnc(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000593695677 479426366 /nfs/dbraw/zinc/42/63/66/479426366.db2.gz DMOHWWACIPFMCK-LBPRGKRZSA-N 0 0 344.371 2.965 10 5 EFBERN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@]3(CC3(F)F)C1)OCCO2 ZINC000593695418 479426572 /nfs/dbraw/zinc/42/65/72/479426572.db2.gz OMWBFZOSFOCZBN-CQSZACIVSA-N 0 0 326.299 2.597 10 5 EFBERN O=[N+]([O-])c1cc2c(cc1CN1CC[C@]3(CC3(F)F)C1)OCCO2 ZINC000593695417 479426735 /nfs/dbraw/zinc/42/67/35/479426735.db2.gz OMWBFZOSFOCZBN-AWEZNQCLSA-N 0 0 326.299 2.597 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCCOC1 ZINC000599790983 479426902 /nfs/dbraw/zinc/42/69/02/479426902.db2.gz RVXPQDWFTDZILM-LBPRGKRZSA-N 0 0 337.376 2.932 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000596788977 479428238 /nfs/dbraw/zinc/42/82/38/479428238.db2.gz XXTIDAQGMDSIJI-QGZVFWFLSA-N 0 0 333.388 2.980 10 5 EFBERN C[C@@H](NC(=O)N[C@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593703298 479429327 /nfs/dbraw/zinc/42/93/27/479429327.db2.gz BPNBIORJCHHDMH-IUODEOHRSA-N 0 0 340.383 2.992 10 5 EFBERN CCCC(=O)NC[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616089 479429344 /nfs/dbraw/zinc/42/93/44/479429344.db2.gz OVGOJXZPOIVPQK-AWEZNQCLSA-N 0 0 334.420 2.739 10 5 EFBERN Cc1ncc(CN2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)s1 ZINC000611615847 479429627 /nfs/dbraw/zinc/42/96/27/479429627.db2.gz DAZAEXCVNGEPHZ-UHFFFAOYSA-N 0 0 347.444 2.694 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H]2CC[C@H]2C)c1 ZINC000593704424 479429629 /nfs/dbraw/zinc/42/96/29/479429629.db2.gz KOBVOZPUMVHOER-ABAIWWIYSA-N 0 0 328.372 2.676 10 5 EFBERN Nc1c(NC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800988 479429813 /nfs/dbraw/zinc/42/98/13/479429813.db2.gz NIDCGJZFMWBTMU-JOYOIKCWSA-N 0 0 340.767 2.519 10 5 EFBERN C[C@H](NC(=O)N[C@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593703299 479429959 /nfs/dbraw/zinc/42/99/59/479429959.db2.gz BPNBIORJCHHDMH-SWLSCSKDSA-N 0 0 340.383 2.992 10 5 EFBERN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611616693 479430565 /nfs/dbraw/zinc/43/05/65/479430565.db2.gz DRRFXCXYULSNLH-LSDHHAIUSA-N 0 0 334.420 2.832 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC000611617429 479430933 /nfs/dbraw/zinc/43/09/33/479430933.db2.gz SDFYCWLXDFNCNS-CYBMUJFWSA-N 0 0 342.403 2.917 10 5 EFBERN CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000596802372 479433153 /nfs/dbraw/zinc/43/31/53/479433153.db2.gz ZABMUCYYISDANY-LBPRGKRZSA-N 0 0 330.287 2.950 10 5 EFBERN COCc1ccnc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000593725503 479435418 /nfs/dbraw/zinc/43/54/18/479435418.db2.gz NIYXTSHWTCEJLX-KGLIPLIRSA-N 0 0 331.376 2.929 10 5 EFBERN O=C(c1ccc(F)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596811022 479436317 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COCC[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836994 479446688 /nfs/dbraw/zinc/44/66/88/479446688.db2.gz BPYYAQHLDMEXNX-NSHDSACASA-N 0 0 332.360 2.937 10 5 EFBERN CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CCOC1 ZINC000599836714 479446771 /nfs/dbraw/zinc/44/67/71/479446771.db2.gz VWVWGHKTLRVMBI-NSHDSACASA-N 0 0 330.344 2.786 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)NC1(c2ccccc2Cl)CCC1 ZINC000593752892 479447863 /nfs/dbraw/zinc/44/78/63/479447863.db2.gz SGEBVMVALYLFGA-UHFFFAOYSA-N 0 0 334.763 2.791 10 5 EFBERN C[C@H]1CCC[C@]1(O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599837440 479448315 /nfs/dbraw/zinc/44/83/15/479448315.db2.gz FHYPYKFIHTXWDZ-GTNSWQLSSA-N 0 0 344.371 2.816 10 5 EFBERN COc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)nc1 ZINC000593754986 479449306 /nfs/dbraw/zinc/44/93/06/479449306.db2.gz WIQOUVDCRJCBKC-UHFFFAOYSA-N 0 0 331.328 2.611 10 5 EFBERN CCO[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599838950 479449404 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C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000611706783 479451871 /nfs/dbraw/zinc/45/18/71/479451871.db2.gz HDEDLRPDMPQLII-WBMJQRKESA-N 0 0 338.371 2.822 10 5 EFBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC)[C@@H]1CCCOC1 ZINC000593761443 479451876 /nfs/dbraw/zinc/45/18/76/479451876.db2.gz NTGLEUXAFYDAJV-OAHLLOKOSA-N 0 0 345.403 2.879 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000596844347 479452210 /nfs/dbraw/zinc/45/22/10/479452210.db2.gz WNVFTNOJEMHUMK-CYBMUJFWSA-N 0 0 348.403 2.672 10 5 EFBERN C[C@@H](NC(=O)c1ccnn1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000596845345 479452247 /nfs/dbraw/zinc/45/22/47/479452247.db2.gz GAFSSCYXWMKOIS-GFCCVEGCSA-N 0 0 344.371 2.634 10 5 EFBERN Cc1ccc(C(=O)NC[C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593771960 479454160 /nfs/dbraw/zinc/45/41/60/479454160.db2.gz GFGNNCQJDBSWOI-IBGZPJMESA-N 0 0 340.379 2.510 10 5 EFBERN COC(=O)C1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC000596847209 479455184 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O=C(CC1CCOCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588938095 479461390 /nfs/dbraw/zinc/46/13/90/479461390.db2.gz GQTKWDPKXGOYHN-UHFFFAOYSA-N 0 0 331.372 2.552 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000596867040 479462598 /nfs/dbraw/zinc/46/25/98/479462598.db2.gz OPINOKSHJHPXQJ-JQWIXIFHSA-N 0 0 330.348 2.631 10 5 EFBERN CCc1[nH]nc(C(=O)N2CC(C)(C)c3ccc(F)cc32)c1[N+](=O)[O-] ZINC000593793011 479462852 /nfs/dbraw/zinc/46/28/52/479462852.db2.gz ZNWSXQGVQGZKIK-UHFFFAOYSA-N 0 0 332.335 2.957 10 5 EFBERN CC1(C)SC[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599908292 479467351 /nfs/dbraw/zinc/46/73/51/479467351.db2.gz OHNCFBAOSUONCL-VIFPVBQESA-N 0 0 345.218 2.981 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc3c([nH]c2=O)CCC3)c1 ZINC000611753457 479467713 /nfs/dbraw/zinc/46/77/13/479467713.db2.gz BLKHIXUSAYNMMN-UHFFFAOYSA-N 0 0 343.339 2.583 10 5 EFBERN CCCCCc1cc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000596877109 479467925 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345.399 2.794 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2cc(F)cc(N(C)C)c2)c1[N+](=O)[O-] ZINC000593836020 479479656 /nfs/dbraw/zinc/47/96/56/479479656.db2.gz VVNTYIILQSPDRM-UHFFFAOYSA-N 0 0 335.339 2.899 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](CC(=O)OC)C1CC1 ZINC000596912169 479483800 /nfs/dbraw/zinc/48/38/00/479483800.db2.gz COMZTFBEVVURLN-ZDUSSCGKSA-N 0 0 349.387 2.868 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000596912571 479484048 /nfs/dbraw/zinc/48/40/48/479484048.db2.gz JUOVHIBUMXTFLK-RNCFNFMXSA-N 0 0 330.348 2.576 10 5 EFBERN C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C2(CCC2)CO1 ZINC000593850767 479484529 /nfs/dbraw/zinc/48/45/29/479484529.db2.gz UQDGPGCRHPMLIF-LLVKDONJSA-N 0 0 329.356 2.860 10 5 EFBERN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593853165 479485891 /nfs/dbraw/zinc/48/58/91/479485891.db2.gz DCMVGCATHZBDAH-GFCCVEGCSA-N 0 0 325.368 2.979 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 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COC[C@H](CC(C)(C)C)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000594141113 479606387 /nfs/dbraw/zinc/60/63/87/479606387.db2.gz VCPAGADMFPHWBJ-ZDUSSCGKSA-N 0 0 338.404 2.849 10 5 EFBERN C[C@H]1CC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)O1 ZINC000578599752 479607321 /nfs/dbraw/zinc/60/73/21/479607321.db2.gz RNZHVWBSLMZNDK-STQMWFEESA-N 0 0 336.391 2.979 10 5 EFBERN COc1cc(CN2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597179140 479607358 /nfs/dbraw/zinc/60/73/58/479607358.db2.gz GOXMAIBXNKNHNJ-QGZVFWFLSA-N 0 0 336.388 2.613 10 5 EFBERN Cc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C(F)(F)F)o1 ZINC000594153387 479609710 /nfs/dbraw/zinc/60/97/10/479609710.db2.gz DLQWMBCFSJMKLM-LBPRGKRZSA-N 0 0 346.265 2.503 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC(=O)OC(C)C)C(C)C ZINC000594155648 479612496 /nfs/dbraw/zinc/61/24/96/479612496.db2.gz GGWLGWYUOVSDOA-OAHLLOKOSA-N 0 0 336.388 2.999 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594164256 479616102 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EFBERN CCc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc(C)n1 ZINC000578910290 479632122 /nfs/dbraw/zinc/63/21/22/479632122.db2.gz YNCJQGZZAKGSLY-UHFFFAOYSA-N 0 0 325.372 2.813 10 5 EFBERN COc1cc(CN2CCC(c3ccon3)CC2)c([N+](=O)[O-])cc1OC ZINC000597227922 479632120 /nfs/dbraw/zinc/63/21/20/479632120.db2.gz IVHZLZQKEQNLSB-UHFFFAOYSA-N 0 0 347.371 2.980 10 5 EFBERN Cc1ccc(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000578935821 479634155 /nfs/dbraw/zinc/63/41/55/479634155.db2.gz BVGQJDBFJJQZOV-UHFFFAOYSA-N 0 0 338.367 2.681 10 5 EFBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]1C(F)(F)F ZINC000590377997 479637304 /nfs/dbraw/zinc/63/73/04/479637304.db2.gz RNUKEZXTIUHXMV-LLVKDONJSA-N 0 0 341.245 2.625 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2ccccn2)C1 ZINC000590401171 479639134 /nfs/dbraw/zinc/63/91/34/479639134.db2.gz IQPVMSVJUFBIRE-CQSZACIVSA-N 0 0 341.367 2.775 10 5 EFBERN CCc1ccc([C@H](C)NC(=O)c2ccnc(NC)c2[N+](=O)[O-])cc1 ZINC000590410513 479642284 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341.433 2.519 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000590570776 479661531 /nfs/dbraw/zinc/66/15/31/479661531.db2.gz ZSCVBNHZNXSVLQ-ZDUSSCGKSA-N 0 0 327.340 2.746 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)Cc2cc(C)on2)ccc1[N+](=O)[O-] ZINC000590572729 479662134 /nfs/dbraw/zinc/66/21/34/479662134.db2.gz NXUCFBVJXDFPRX-UHFFFAOYSA-N 0 0 339.735 2.968 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@](C)(O)CSC)ccc1[N+](=O)[O-] ZINC000590585841 479663518 /nfs/dbraw/zinc/66/35/18/479663518.db2.gz QDKVMKKLUXYOOD-ZDUSSCGKSA-N 0 0 348.808 2.561 10 5 EFBERN CC[C@@H](CCO)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000590585487 479663670 /nfs/dbraw/zinc/66/36/70/479663670.db2.gz DLPBSWFKHDKALT-VIFPVBQESA-N 0 0 330.768 2.855 10 5 EFBERN COC(=O)c1c(Cl)c(NC2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000590586745 479664145 /nfs/dbraw/zinc/66/41/45/479664145.db2.gz RMWFKIYSCRJEIL-UHFFFAOYSA-N 0 0 328.752 2.752 10 5 EFBERN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](c2ccsc2)O1 ZINC000612401343 479665527 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CCOC(=O)C(C)(C)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000185306400 520421371 /nfs/dbraw/zinc/42/13/71/520421371.db2.gz KZQYVKMITJWHSD-CYBMUJFWSA-N 0 0 336.388 2.621 10 5 EFBERN CCN(CC)C(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000058524844 520443130 /nfs/dbraw/zinc/44/31/30/520443130.db2.gz GGUZPINPGGSFJC-UHFFFAOYSA-N 0 0 349.431 2.684 10 5 EFBERN CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000072064534 520673741 /nfs/dbraw/zinc/67/37/41/520673741.db2.gz GEIYBHCUJJIWSO-AWEZNQCLSA-N 0 0 347.415 2.672 10 5 EFBERN CCOc1ccc(C(=O)N2CCOc3nc(C)ccc32)cc1[N+](=O)[O-] ZINC000180453330 520898181 /nfs/dbraw/zinc/89/81/81/520898181.db2.gz HENLEHJTJMWJEU-UHFFFAOYSA-N 0 0 343.339 2.736 10 5 EFBERN CCOc1ccc(C(=O)NCCc2ncc(CC)s2)cc1[N+](=O)[O-] ZINC000081203888 520908461 /nfs/dbraw/zinc/90/84/61/520908461.db2.gz UBLHGRNAPGWMHV-UHFFFAOYSA-N 0 0 349.412 2.985 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000150966449 520911009 /nfs/dbraw/zinc/91/10/09/520911009.db2.gz PAXPKHPDIBAFQQ-CYBMUJFWSA-N 0 0 338.404 2.768 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000078158462 520914174 /nfs/dbraw/zinc/91/41/74/520914174.db2.gz CCSASHMZWYZOQM-DFBGVHRSSA-N 0 0 334.372 2.537 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@](C)(O)CCC(C)C)c1[N+](=O)[O-] ZINC000156827656 521561755 /nfs/dbraw/zinc/56/17/55/521561755.db2.gz DUKUQWFFIAFNOI-MRXNPFEDSA-N 0 0 339.392 2.766 10 5 EFBERN CCN1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000191843313 521725817 /nfs/dbraw/zinc/72/58/17/521725817.db2.gz ZVTKIZYQXJGYJH-UHFFFAOYSA-N 0 0 331.397 2.945 10 5 EFBERN CCSc1ccc(Cl)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000104482628 521748008 /nfs/dbraw/zinc/74/80/08/521748008.db2.gz ZEFGQLPBGMFJIO-UHFFFAOYSA-N 0 0 341.780 2.590 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccs2)C1 ZINC000152856520 521793172 /nfs/dbraw/zinc/79/31/72/521793172.db2.gz YGEZWCGFELHCGB-AWEZNQCLSA-N 0 0 347.396 2.594 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc([N+](=O)[O-])c1 ZINC000136147878 521889653 /nfs/dbraw/zinc/88/96/53/521889653.db2.gz FVQAAGJKGYXOTA-LSDHHAIUSA-N 0 0 341.323 2.519 10 5 EFBERN Cc1nc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)cs1 ZINC000190021422 534607187 /nfs/dbraw/zinc/60/71/87/534607187.db2.gz XIXRKMRCVSYZKP-GFCCVEGCSA-N 0 0 332.385 2.919 10 5 EFBERN CN(C)c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000078875086 522222646 /nfs/dbraw/zinc/22/26/46/522222646.db2.gz VCEGBVOLHUWSGM-UHFFFAOYSA-N 0 0 343.387 2.887 10 5 EFBERN COC(=O)c1coc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000185230509 522355388 /nfs/dbraw/zinc/35/53/88/522355388.db2.gz PSPNTDATDVDAPL-UHFFFAOYSA-N 0 0 344.323 2.779 10 5 EFBERN CC[C@H](NC(=O)[C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000156518636 522513605 /nfs/dbraw/zinc/51/36/05/522513605.db2.gz HLOKDLMPJPYBJU-ZFWWWQNUSA-N 0 0 328.372 2.621 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC2CCN(C(=O)C(C)C)CC2)c1 ZINC000156766664 522589569 /nfs/dbraw/zinc/58/95/69/522589569.db2.gz HLWRXUSMTIUQEO-UHFFFAOYSA-N 0 0 339.367 2.801 10 5 EFBERN CC[C@@H](NC(=O)NCC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000185510296 522723570 /nfs/dbraw/zinc/72/35/70/522723570.db2.gz YRKSRMQCMDKCBH-OAHLLOKOSA-N 0 0 335.404 2.898 10 5 EFBERN COCC(=O)N1CCc2c1cccc2Nc1nc(C)ccc1[N+](=O)[O-] ZINC000182600401 522752237 /nfs/dbraw/zinc/75/22/37/522752237.db2.gz ZBCVSQDSLMNHEU-UHFFFAOYSA-N 0 0 342.355 2.577 10 5 EFBERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000081639176 522885796 /nfs/dbraw/zinc/88/57/96/522885796.db2.gz QQQBGIYDUVEMMH-NSHDSACASA-N 0 0 346.339 2.835 10 5 EFBERN COc1cc(S(=O)(=O)NC/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000177056418 522894009 /nfs/dbraw/zinc/89/40/09/522894009.db2.gz ZMRJQOVWEHTFRB-VMPITWQZSA-N 0 0 348.380 2.595 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NC1CCN(c2ncccn2)CC1 ZINC000080572819 522938927 /nfs/dbraw/zinc/93/89/27/522938927.db2.gz HZBOHURRSZRTDF-UHFFFAOYSA-N 0 0 343.387 2.612 10 5 EFBERN CC[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000117366808 523092669 /nfs/dbraw/zinc/09/26/69/523092669.db2.gz DTNHTTUTEXOYNM-LBPRGKRZSA-N 0 0 342.417 2.804 10 5 EFBERN CN(Cc1ccc(F)cc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179947906 523250549 /nfs/dbraw/zinc/25/05/49/523250549.db2.gz QAGFHGMKHFUBGC-UHFFFAOYSA-N 0 0 332.287 2.735 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000194807677 523338533 /nfs/dbraw/zinc/33/85/33/523338533.db2.gz HKUAYBXDLBCDOF-INIZCTEOSA-N 0 0 342.351 2.937 10 5 EFBERN CO[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000191644800 523718795 /nfs/dbraw/zinc/71/87/95/523718795.db2.gz AACPWPXKPVECOP-WCBMZHEXSA-N 0 0 343.177 2.655 10 5 EFBERN CCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000066000532 523944025 /nfs/dbraw/zinc/94/40/25/523944025.db2.gz PUYYVYFEUFPYSB-UHFFFAOYSA-N 0 0 332.428 2.759 10 5 EFBERN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000056045389 523960889 /nfs/dbraw/zinc/96/08/89/523960889.db2.gz YCLOSZSWMHDKQQ-AWEZNQCLSA-N 0 0 325.368 2.948 10 5 EFBERN CN1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc21 ZINC000193636761 523962829 /nfs/dbraw/zinc/96/28/29/523962829.db2.gz PPXMLVFPUBBMTC-ZDUSSCGKSA-N 0 0 340.383 2.729 10 5 EFBERN CN1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])c2ccccc21 ZINC000180963570 523981125 /nfs/dbraw/zinc/98/11/25/523981125.db2.gz WQOGOHLCDBCHLD-GFCCVEGCSA-N 0 0 340.383 2.531 10 5 EFBERN Cc1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000117982964 524174824 /nfs/dbraw/zinc/17/48/24/524174824.db2.gz DTZDUDVSTLXWFT-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN COc1cccc2c1OC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000077310666 524247407 /nfs/dbraw/zinc/24/74/07/524247407.db2.gz PITQZNIDKZYFGD-LLVKDONJSA-N 0 0 348.380 2.707 10 5 EFBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1 ZINC000195506686 524272693 /nfs/dbraw/zinc/27/26/93/524272693.db2.gz QSWYWTQLBIPESY-LBPRGKRZSA-N 0 0 343.387 2.525 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1Br)n1cc([N+](=O)[O-])cn1 ZINC000180508679 524278496 /nfs/dbraw/zinc/27/84/96/524278496.db2.gz BINCUYYCARDISC-QMMMGPOBSA-N 0 0 339.149 2.754 10 5 EFBERN Cc1ccc(CN(C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000067374803 524401850 /nfs/dbraw/zinc/40/18/50/524401850.db2.gz AISHWHYWXBTADK-INIZCTEOSA-N 0 0 329.356 2.734 10 5 EFBERN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171530123 524407021 /nfs/dbraw/zinc/40/70/21/524407021.db2.gz WHJODXMPZVGTLJ-UHFFFAOYSA-N 0 0 329.356 2.622 10 5 EFBERN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181140172 524456030 /nfs/dbraw/zinc/45/60/30/524456030.db2.gz QRUWYHCAVFUHKJ-SECBINFHSA-N 0 0 335.310 2.989 10 5 EFBERN Cc1ccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000189906144 524461858 /nfs/dbraw/zinc/46/18/58/524461858.db2.gz ZIVNUSKUBQNOJQ-UHFFFAOYSA-N 0 0 341.415 2.826 10 5 EFBERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)c1 ZINC000182915081 524466748 /nfs/dbraw/zinc/46/67/48/524466748.db2.gz SFKYTPJTGUOZPZ-CYBMUJFWSA-N 0 0 341.367 2.942 10 5 EFBERN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000048839473 524889404 /nfs/dbraw/zinc/88/94/04/524889404.db2.gz VTRMOXLCJZOYRK-VIFPVBQESA-N 0 0 349.293 2.689 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000194871815 524903081 /nfs/dbraw/zinc/90/30/81/524903081.db2.gz ZPTCRYOZRDQMMR-MRXNPFEDSA-N 0 0 342.351 2.823 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COc1nc(C(C)(C)C)no1 ZINC000107420161 524906004 /nfs/dbraw/zinc/90/60/04/524906004.db2.gz MHHUJVCDKDGZHY-UHFFFAOYSA-N 0 0 334.332 2.601 10 5 EFBERN Cc1cccc2c1OCC[C@H]2NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000190127852 524955047 /nfs/dbraw/zinc/95/50/47/524955047.db2.gz DDDWZTDMSMKKJT-MRXNPFEDSA-N 0 0 342.351 2.922 10 5 EFBERN Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1OCCC(C)C ZINC000157565439 525105932 /nfs/dbraw/zinc/10/59/32/525105932.db2.gz QXPWYUWLVGFFGT-UHFFFAOYSA-N 0 0 347.375 2.558 10 5 EFBERN Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000136873700 525142640 /nfs/dbraw/zinc/14/26/40/525142640.db2.gz AVYVNOFKXNXXRT-HNNXBMFYSA-N 0 0 342.355 2.983 10 5 EFBERN Cc1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000172438426 525183687 /nfs/dbraw/zinc/18/36/87/525183687.db2.gz XXLFZBVSESQEFR-HOCLYGCPSA-N 0 0 327.340 2.683 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2CCCN2c2nccs2)cc1[N+](=O)[O-] ZINC000073291245 525202384 /nfs/dbraw/zinc/20/23/84/525202384.db2.gz FXCFREKYZHOPSH-LBPRGKRZSA-N 0 0 332.385 2.967 10 5 EFBERN Cc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000194959324 525229126 /nfs/dbraw/zinc/22/91/26/525229126.db2.gz GWJZQVCAOZOPPW-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC2(CCCC2)C1 ZINC000173740801 525232957 /nfs/dbraw/zinc/23/29/57/525232957.db2.gz RYQVLAWKKUFJQV-ZDUSSCGKSA-N 0 0 345.399 2.506 10 5 EFBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(C)(=O)=O ZINC000089202240 525240174 /nfs/dbraw/zinc/24/01/74/525240174.db2.gz FUNFFZFAMWKBME-UHFFFAOYSA-N 0 0 334.353 2.559 10 5 EFBERN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000089202354 525245114 /nfs/dbraw/zinc/24/51/14/525245114.db2.gz DZTQNFOOYZUBFK-UHFFFAOYSA-N 0 0 334.353 2.559 10 5 EFBERN Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000089200598 525245258 /nfs/dbraw/zinc/24/52/58/525245258.db2.gz JLZGPWMQXUOKBC-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000121228521 525455109 /nfs/dbraw/zinc/45/51/09/525455109.db2.gz UAROLZRULKYELX-OAHLLOKOSA-N 0 0 348.380 2.879 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117623670 525460376 /nfs/dbraw/zinc/46/03/76/525460376.db2.gz JHTIJDILTMDJBB-PIGZYNQJSA-N 0 0 342.351 2.784 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C(C)C ZINC000117371417 525472514 /nfs/dbraw/zinc/47/25/14/525472514.db2.gz QLLCJCTUNYGAGB-CYBMUJFWSA-N 0 0 342.417 2.803 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC12CCCCC2 ZINC000179994594 525474279 /nfs/dbraw/zinc/47/42/79/525474279.db2.gz JWGCOXCLHUMEBY-AWEZNQCLSA-N 0 0 340.401 2.605 10 5 EFBERN Cc1c(Br)c(N2CCC([C@@H](C)O)CC2)ncc1[N+](=O)[O-] ZINC000230582298 525523607 /nfs/dbraw/zinc/52/36/07/525523607.db2.gz TUMXVUHIZKHNGE-SECBINFHSA-N 0 0 344.209 2.658 10 5 EFBERN COc1ccc2c(c1)CCN2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000060558940 525528340 /nfs/dbraw/zinc/52/83/40/525528340.db2.gz DMQOIYNVFIAFMM-UHFFFAOYSA-N 0 0 341.367 2.918 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000191356623 525554264 /nfs/dbraw/zinc/55/42/64/525554264.db2.gz PIAQYYKUSZHSHA-RDJZCZTQSA-N 0 0 341.367 2.991 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067877251 525571930 /nfs/dbraw/zinc/57/19/30/525571930.db2.gz PNZAZAAFZYYHLX-GJZGRUSLSA-N 0 0 332.381 2.738 10 5 EFBERN Cc1c(C(=O)Nc2cn(Cc3ccccc3)nn2)cccc1[N+](=O)[O-] ZINC000188264033 525662690 /nfs/dbraw/zinc/66/26/90/525662690.db2.gz WAHLTKUKGYWUOY-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN CS[C@@H]1CCCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156323140 525826268 /nfs/dbraw/zinc/82/62/68/525826268.db2.gz MREIEJAGKORQAZ-CQSZACIVSA-N 0 0 344.458 2.642 10 5 EFBERN CSc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000194022334 525969275 /nfs/dbraw/zinc/96/92/75/525969275.db2.gz APVSDUGAMCAXOS-GDBMZVCRSA-N 0 0 344.392 2.705 10 5 EFBERN C[C@H](C(=O)N1CCC[C@H]1Cn1ccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000183052972 525978743 /nfs/dbraw/zinc/97/87/43/525978743.db2.gz RODXHVZTQFLQLX-JSGCOSHPSA-N 0 0 346.362 2.725 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000063224873 526075683 /nfs/dbraw/zinc/07/56/83/526075683.db2.gz XHMRNLDWWFJCCY-GOEBONIOSA-N 0 0 339.351 2.514 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067890995 526079523 /nfs/dbraw/zinc/07/95/23/526079523.db2.gz XHMRNLDWWFJCCY-HOCLYGCPSA-N 0 0 339.351 2.514 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1nc(C(C)(C)C)no1 ZINC000107421783 526079801 /nfs/dbraw/zinc/07/98/01/526079801.db2.gz XTPYTOXBGDIITB-UHFFFAOYSA-N 0 0 334.332 2.601 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000136874332 526081244 /nfs/dbraw/zinc/08/12/44/526081244.db2.gz WONNIAOUOFOGFK-HNNXBMFYSA-N 0 0 342.355 2.983 10 5 EFBERN CSc1cccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1[N+](=O)[O-] ZINC000188243099 526092125 /nfs/dbraw/zinc/09/21/25/526092125.db2.gz HTUVZGPXAWQMEJ-XJKSGUPXSA-N 0 0 344.392 2.705 10 5 EFBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180818400 526122649 /nfs/dbraw/zinc/12/26/49/526122649.db2.gz CFJUHZAGSBOKLC-SECBINFHSA-N 0 0 333.319 2.816 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1 ZINC000195506688 526161359 /nfs/dbraw/zinc/16/13/59/526161359.db2.gz QSWYWTQLBIPESY-GFCCVEGCSA-N 0 0 343.387 2.525 10 5 EFBERN Cc1cc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000135390135 526256726 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O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2cnc(F)cc2Cl)c1 ZINC001117109709 1263701309 /nfs/dbraw/zinc/70/13/09/1263701309.db2.gz QTVRGPJAWPZFAW-UHFFFAOYSA-N 0 0 346.723 2.691 10 5 EFBERN Cc1nc2c(F)cccc2cc1C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001128216834 1263778030 /nfs/dbraw/zinc/77/80/30/1263778030.db2.gz JFYDGTJZXHQWFY-UHFFFAOYSA-N 0 0 329.291 2.576 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001128233616 1263896847 /nfs/dbraw/zinc/89/68/47/1263896847.db2.gz NNNSJQAXZDIMLR-CQSZACIVSA-N 0 0 347.415 2.541 10 5 EFBERN C[C@@H](Nc1ccc(C(=O)N(C)C#N)cc1[N+](=O)[O-])c1ccccn1 ZINC001128270429 1264068430 /nfs/dbraw/zinc/06/84/30/1264068430.db2.gz NZLMVRSAQRCJMA-LLVKDONJSA-N 0 0 325.328 2.716 10 5 EFBERN O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1Cl ZINC000824654284 1278218829 /nfs/dbraw/zinc/21/88/29/1278218829.db2.gz MALFRQAQBDYZLY-GZBFAFLISA-N 0 0 340.807 2.610 10 5 EFBERN O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1Cl ZINC000824654285 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CC(C)c1ccc(C(=O)OC[C@H]2CCC3(COC3)O2)cc1[N+](=O)[O-] ZINC000922629428 1266485521 /nfs/dbraw/zinc/48/55/21/1266485521.db2.gz JROYVADPPOTQMV-CYBMUJFWSA-N 0 0 335.356 2.823 10 5 EFBERN COc1cccc(C(=O)OC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000922654886 1266525224 /nfs/dbraw/zinc/52/52/24/1266525224.db2.gz JKLGBNQOTRIQDR-KWQFWETISA-N 0 0 349.261 2.870 10 5 EFBERN Cc1nn(C)c(C)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000733911299 1266557702 /nfs/dbraw/zinc/55/77/02/1266557702.db2.gz BXXGXSXRESXIMP-UHFFFAOYSA-N 0 0 347.331 2.722 10 5 EFBERN C[C@@H](NC(=O)NCC1(CF)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922718754 1266650500 /nfs/dbraw/zinc/65/05/00/1266650500.db2.gz ZIFKQYVKTKWDDY-GFCCVEGCSA-N 0 0 339.367 2.721 10 5 EFBERN Cc1cc(COC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(C)nn1 ZINC000922755862 1266740716 /nfs/dbraw/zinc/74/07/16/1266740716.db2.gz BHDMSCPSRXVPNG-UHFFFAOYSA-N 0 0 348.334 2.564 10 5 EFBERN Cc1cc(Cl)c(C(=O)OC[C@H]2CCC3(COC3)O2)cc1[N+](=O)[O-] ZINC000922762380 1266751218 /nfs/dbraw/zinc/75/12/18/1266751218.db2.gz GXSQHXYQVVAKNT-SNVBAGLBSA-N 0 0 341.747 2.661 10 5 EFBERN O=C(OCCO[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000922770405 1266764535 /nfs/dbraw/zinc/76/45/35/1266764535.db2.gz NBQXRTNSJBRPRH-SNVBAGLBSA-N 0 0 349.261 2.576 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000922783820 1266782421 /nfs/dbraw/zinc/78/24/21/1266782421.db2.gz UNALUAGWBQLHAM-CQSZACIVSA-N 0 0 347.415 2.846 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C2)n1 ZINC000825130901 1267018463 /nfs/dbraw/zinc/01/84/63/1267018463.db2.gz SKNWXRFNFKHCND-UHFFFAOYSA-N 0 0 346.774 2.895 10 5 EFBERN CCCn1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cn1 ZINC000734989210 1267172222 /nfs/dbraw/zinc/17/22/22/1267172222.db2.gz YSNNYIJPRSADAX-RIYZIHGNSA-N 0 0 340.339 2.854 10 5 EFBERN CCCn1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cn1 ZINC000734989211 1267172883 /nfs/dbraw/zinc/17/28/83/1267172883.db2.gz YSNNYIJPRSADAX-ZSOIEALJSA-N 0 0 340.339 2.854 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C[C@@H](C)n1cccc1 ZINC000735142066 1267213087 /nfs/dbraw/zinc/21/30/87/1267213087.db2.gz YXOKEMHELLWMPG-CYBMUJFWSA-N 0 0 345.355 2.838 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000735487682 1267327582 /nfs/dbraw/zinc/32/75/82/1267327582.db2.gz VBIRFEKYENFCMI-TXEJJXNPSA-N 0 0 336.392 2.824 10 5 EFBERN O=C(OCCOc1cccnc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000735891531 1267447785 /nfs/dbraw/zinc/44/77/85/1267447785.db2.gz BMAUKHCLBWAGFJ-UHFFFAOYSA-N 0 0 327.296 2.707 10 5 EFBERN CCC(C)(C)NC(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736865655 1267787465 /nfs/dbraw/zinc/78/74/65/1267787465.db2.gz HOHMAEUAGDBXJO-UHFFFAOYSA-N 0 0 328.752 2.710 10 5 EFBERN O=C(OCc1csc([N+](=O)[O-])c1)c1cccc(-n2cccn2)n1 ZINC000736935182 1267832282 /nfs/dbraw/zinc/83/22/82/1267832282.db2.gz ZTQONAAKGJDUCC-UHFFFAOYSA-N 0 0 330.325 2.594 10 5 EFBERN COC[C@H](OC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000791852759 1278378224 /nfs/dbraw/zinc/37/82/24/1278378224.db2.gz PHTJFOGALSHNDK-NSHDSACASA-N 0 0 337.250 2.646 10 5 EFBERN C[C@H](O)CC(C)(C)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001136993350 1278422940 /nfs/dbraw/zinc/42/29/40/1278422940.db2.gz LSGWPHCRXKFBNY-NSHDSACASA-N 0 0 345.399 2.857 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCOC[C@@H]1C(F)(F)F ZINC000739591910 1268709145 /nfs/dbraw/zinc/70/91/45/1268709145.db2.gz YUVRYZGGLQXUTN-SNVBAGLBSA-N 0 0 338.669 2.652 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](C)C(C)C ZINC000739897874 1268773501 /nfs/dbraw/zinc/77/35/01/1268773501.db2.gz XMRPXKXAWAFWHT-SECBINFHSA-N 0 0 325.321 2.994 10 5 EFBERN COCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC001128621719 1268940373 /nfs/dbraw/zinc/94/03/73/1268940373.db2.gz OBTDGFXBQCTCAB-UHFFFAOYSA-N 0 0 332.312 2.838 10 5 EFBERN CC[C@H]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001273371634 1269034315 /nfs/dbraw/zinc/03/43/15/1269034315.db2.gz ZXAQAYMEIZRUGZ-NWDGAFQWSA-N 0 0 334.372 2.922 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)/C=C\c1cnccn1 ZINC000740966020 1269202749 /nfs/dbraw/zinc/20/27/49/1269202749.db2.gz QBBHZSGHEMAPNT-UTCJRWHESA-N 0 0 343.339 2.929 10 5 EFBERN C[C@@H]1COCC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128688162 1269406146 /nfs/dbraw/zinc/40/61/46/1269406146.db2.gz WWJMCJDRMLCCFW-YPMHNXCESA-N 0 0 343.383 2.733 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000742414664 1270039690 /nfs/dbraw/zinc/03/96/90/1270039690.db2.gz AWDVZONXBPYDCD-MRVPVSSYSA-N 0 0 330.348 2.524 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccccc1O ZINC001545679824 1270231415 /nfs/dbraw/zinc/23/14/15/1270231415.db2.gz CVYJJRWMSGIRNE-UHFFFAOYSA-N 0 0 330.340 2.672 10 5 EFBERN CC(C)[NH+]1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000742830761 1270274883 /nfs/dbraw/zinc/27/48/83/1270274883.db2.gz NADDKNYMPBDSEF-XQRVVYSFSA-N 0 0 333.388 2.977 10 5 EFBERN CCN(Cc1ccc(Cl)s1)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000743545383 1270625027 /nfs/dbraw/zinc/62/50/27/1270625027.db2.gz SVAZKIUBTDWEQL-UHFFFAOYSA-N 0 0 342.808 2.863 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000743545215 1270625066 /nfs/dbraw/zinc/62/50/66/1270625066.db2.gz POUYCRHYJAEMFP-SNVBAGLBSA-N 0 0 336.779 2.973 10 5 EFBERN Nc1cc(COC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccn1 ZINC000792133759 1278572580 /nfs/dbraw/zinc/57/25/80/1278572580.db2.gz FSYMAWDZINPGOB-UHFFFAOYSA-N 0 0 341.245 2.948 10 5 EFBERN CCOc1ccc(C(=O)O[C@@H](CC(C)C)C(=O)OC)cc1[N+](=O)[O-] ZINC000744156883 1270908802 /nfs/dbraw/zinc/90/88/02/1270908802.db2.gz NJAYHSFUTHSWRS-AWEZNQCLSA-N 0 0 339.344 2.738 10 5 EFBERN C[C@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000744383208 1271015276 /nfs/dbraw/zinc/01/52/76/1271015276.db2.gz HTTFKTWACXCTQA-KBPBESRZSA-N 0 0 347.415 2.692 10 5 EFBERN C[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000744383209 1271016070 /nfs/dbraw/zinc/01/60/70/1271016070.db2.gz HTTFKTWACXCTQA-KGLIPLIRSA-N 0 0 347.415 2.692 10 5 EFBERN Cc1nn(C)c(C)c1CCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843847153 1278606696 /nfs/dbraw/zinc/60/66/96/1278606696.db2.gz QZDJXYJMUMVJLU-UHFFFAOYSA-N 0 0 348.378 2.755 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000843848461 1278606899 /nfs/dbraw/zinc/60/68/99/1278606899.db2.gz XCGNZGOCSCWXFZ-RISCZKNCSA-N 0 0 338.379 2.911 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1ccn(-c2ccc(F)cc2)n1 ZINC000744604134 1271110121 /nfs/dbraw/zinc/11/01/21/1271110121.db2.gz DWLIYPWPMXIQIY-UHFFFAOYSA-N 0 0 344.302 2.615 10 5 EFBERN CC(C)c1n[nH]cc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000744732333 1271152596 /nfs/dbraw/zinc/15/25/96/1271152596.db2.gz ROXAZNDNQZMQPP-JTQLQIEISA-N 0 0 346.343 2.625 10 5 EFBERN CC(=O)N(C)c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000744775663 1271173239 /nfs/dbraw/zinc/17/32/39/1271173239.db2.gz AARUQPZNITYYPZ-UHFFFAOYSA-N 0 0 331.303 2.969 10 5 EFBERN COC(C)(C)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000744989590 1271264363 /nfs/dbraw/zinc/26/43/63/1271264363.db2.gz LMGFRGHHQNQWMT-MRVPVSSYSA-N 0 0 344.751 2.543 10 5 EFBERN COCC1(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCC1 ZINC001128881145 1271366805 /nfs/dbraw/zinc/36/68/05/1271366805.db2.gz KYMAXERZRRTNPJ-UHFFFAOYSA-N 0 0 329.356 2.629 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1c2c(nn1C)CCCC2 ZINC000843889964 1278635771 /nfs/dbraw/zinc/63/57/71/1278635771.db2.gz IMOUUANKNUEPNM-UHFFFAOYSA-N 0 0 346.362 2.585 10 5 EFBERN CC(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)nc1 ZINC001128947245 1271874820 /nfs/dbraw/zinc/87/48/20/1271874820.db2.gz RPUNLWTWLJQXHM-UHFFFAOYSA-N 0 0 334.719 2.854 10 5 EFBERN Cc1noc([C@H](C)N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001143692029 1278669709 /nfs/dbraw/zinc/66/97/09/1278669709.db2.gz RAJVHYARIKZADC-QMMMGPOBSA-N 0 0 338.751 2.702 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)C1(O)CCCCC1 ZINC000843968899 1278701560 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2.911 10 5 EFBERN Cc1noc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C)cn2)n1 ZINC001129023846 1273164337 /nfs/dbraw/zinc/16/43/37/1273164337.db2.gz UZBGOSAKJNCIQZ-UHFFFAOYSA-N 0 0 339.311 2.909 10 5 EFBERN COC1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000867011018 1273209163 /nfs/dbraw/zinc/20/91/63/1273209163.db2.gz DMDVVTAUTWKVNE-UHFFFAOYSA-N 0 0 329.374 2.571 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(ccnc3OC)c2)n1 ZINC001129055451 1273489874 /nfs/dbraw/zinc/48/98/74/1273489874.db2.gz GPVRNHZPLUDECD-UHFFFAOYSA-N 0 0 341.327 2.620 10 5 EFBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCn2ccnc21 ZINC001129104500 1273714561 /nfs/dbraw/zinc/71/45/61/1273714561.db2.gz JGEJKNQIESLTRR-UHFFFAOYSA-N 0 0 341.352 2.575 10 5 EFBERN COC(=O)[C@H]1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804359749 1273758087 /nfs/dbraw/zinc/75/80/87/1273758087.db2.gz FTZFSPZRUIOAFP-VIFPVBQESA-N 0 0 343.177 2.665 10 5 EFBERN CC[NH+]1CCC(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844207308 1278811699 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EFBERN Cc1ccncc1CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000923233853 1277327552 /nfs/dbraw/zinc/32/75/52/1277327552.db2.gz ZHBCEAZTOJPUSK-CYBMUJFWSA-N 0 0 328.372 2.901 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](O)Cc2ccccc21 ZINC000790151885 1277329154 /nfs/dbraw/zinc/32/91/54/1277329154.db2.gz MZUNTGWYPGRKEO-RTGRKSDTSA-N 0 0 338.363 2.948 10 5 EFBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000790152446 1277330204 /nfs/dbraw/zinc/33/02/04/1277330204.db2.gz FTBKJAXAFZQGIL-GFCCVEGCSA-N 0 0 347.758 2.937 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000790287410 1277396823 /nfs/dbraw/zinc/39/68/23/1277396823.db2.gz GMJKAUYTYKNNAO-NSHDSACASA-N 0 0 340.351 2.517 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)c1F ZINC000790296517 1277404199 /nfs/dbraw/zinc/40/41/99/1277404199.db2.gz NOVVZSXODHJLJR-UHFFFAOYSA-N 0 0 345.286 2.626 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790383149 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C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1ncccn1 ZINC000791350891 1278060177 /nfs/dbraw/zinc/06/01/77/1278060177.db2.gz HMGDRZWDBBPBOO-SECBINFHSA-N 0 0 337.719 2.549 10 5 EFBERN C/C(=C\C(=O)NCc1cnc2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000791391196 1278079669 /nfs/dbraw/zinc/07/96/69/1278079669.db2.gz VKTQUFHLOIDQPH-JLHYYAGUSA-N 0 0 340.383 2.847 10 5 EFBERN CNc1ccc(C(=O)N[C@H](C)c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC001144034991 1279067525 /nfs/dbraw/zinc/06/75/25/1279067525.db2.gz KBVUVGFVOZDSPH-LLVKDONJSA-N 0 0 343.387 2.660 10 5 EFBERN C[C@](CO)(NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001144077255 1279093269 /nfs/dbraw/zinc/09/32/69/1279093269.db2.gz QETVYWQUXBGQIJ-GOSISDBHSA-N 0 0 339.351 2.714 10 5 EFBERN Cc1cc(C(=O)OCCn2ccc([N+](=O)[O-])n2)c2nccc(C)c2c1 ZINC000792673077 1279102366 /nfs/dbraw/zinc/10/23/66/1279102366.db2.gz IQOCNTTWQQXTDZ-UHFFFAOYSA-N 0 0 340.339 2.813 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CNc2cnn(C)c2C2CC2)c1 ZINC000844607193 1279122720 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328.328 2.575 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1[C@H]1CCOC1 ZINC000888592552 1287386143 /nfs/dbraw/zinc/38/61/43/1287386143.db2.gz DHLKXCJUDJKYHP-PABFRNLHSA-N 0 0 342.355 2.795 10 5 EFBERN CCOC(=O)[C@@H](C)COC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000747163002 1279954784 /nfs/dbraw/zinc/95/47/84/1279954784.db2.gz OKUWIQYQZVBTOH-VIFPVBQESA-N 0 0 327.358 2.673 10 5 EFBERN CCCc1[nH]nc(C(=O)OCc2ccc(COC)cc2)c1[N+](=O)[O-] ZINC000815243608 1287388141 /nfs/dbraw/zinc/38/81/41/1287388141.db2.gz IKMJHWNJVCDZMQ-UHFFFAOYSA-N 0 0 333.344 2.774 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846024194 1279985332 /nfs/dbraw/zinc/98/53/32/1279985332.db2.gz UGJBKQJDTJUCQP-ZDUSSCGKSA-N 0 0 346.355 2.713 10 5 EFBERN O=C(NCc1cccnc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000794008136 1279995168 /nfs/dbraw/zinc/99/51/68/1279995168.db2.gz XKVQEWIIBQCIFI-UHFFFAOYSA-N 0 0 326.287 2.607 10 5 EFBERN CCOC(=O)[C@H](C)COC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000747171185 1280005250 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2.828 10 5 EFBERN C[C@@]1(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@]1(F)Cl ZINC000846412605 1280157397 /nfs/dbraw/zinc/15/73/97/1280157397.db2.gz RHEXCKNDQUEGRD-CHWSQXEVSA-N 0 0 333.722 2.751 10 5 EFBERN CC[S@@](=O)CCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000794372616 1280157887 /nfs/dbraw/zinc/15/78/87/1280157887.db2.gz PRDLJWGYRMFXBB-HSZRJFAPSA-N 0 0 341.433 2.782 10 5 EFBERN C[C@H](NCc1nnc2n1CCCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872018248 1287402108 /nfs/dbraw/zinc/40/21/08/1287402108.db2.gz KJYSCXKPRDWZOI-NSHDSACASA-N 0 0 333.367 2.903 10 5 EFBERN C[C@@](CO)(NCc1c(F)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001175324936 1287402204 /nfs/dbraw/zinc/40/22/04/1287402204.db2.gz WUKWHLRMCPQTFX-INIZCTEOSA-N 0 0 349.318 2.639 10 5 EFBERN COC(=O)[C@@H](CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000846457486 1280175048 /nfs/dbraw/zinc/17/50/48/1280175048.db2.gz GDTIWUXXFCPUHO-SAAWKEMMSA-N 0 0 346.383 2.704 10 5 EFBERN COc1cncnc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001129409983 1280179392 /nfs/dbraw/zinc/17/93/92/1280179392.db2.gz APRSXHOOCQFKJK-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCc3c(C)cccc3C2)c1[N+](=O)[O-] ZINC000804431752 1280209186 /nfs/dbraw/zinc/20/91/86/1280209186.db2.gz IFCDPEKYMMKWFZ-UHFFFAOYSA-N 0 0 341.367 2.956 10 5 EFBERN C[C@@H](NCCNC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030541 1287405842 /nfs/dbraw/zinc/40/58/42/1287405842.db2.gz HMYXMVBPCMGMCF-SNVBAGLBSA-N 0 0 327.356 2.909 10 5 EFBERN CC[S@](=O)CCNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804445248 1280225178 /nfs/dbraw/zinc/22/51/78/1280225178.db2.gz RVEGGINJOHSMHV-SFHVURJKSA-N 0 0 335.223 2.846 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000804448512 1280227206 /nfs/dbraw/zinc/22/72/06/1280227206.db2.gz OGRCVVKUDGXBCN-AWEZNQCLSA-N 0 0 345.399 2.636 10 5 EFBERN O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001129538595 1280255509 /nfs/dbraw/zinc/25/55/09/1280255509.db2.gz OLVOLGGARHAXOK-LLVKDONJSA-N 0 0 347.321 2.882 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCC1(CO)CCC1 ZINC000846563765 1280261200 /nfs/dbraw/zinc/26/12/00/1280261200.db2.gz SMBVEIGPLAYSJB-UHFFFAOYSA-N 0 0 344.770 2.599 10 5 EFBERN C[C@H](NCCS(=O)(=O)C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044829 1287409249 /nfs/dbraw/zinc/40/92/49/1287409249.db2.gz FZAAWRRVINUXHO-JTQLQIEISA-N 0 0 332.397 2.598 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846573290 1280271480 /nfs/dbraw/zinc/27/14/80/1280271480.db2.gz WOJFLUQIAHBDLA-CQSZACIVSA-N 0 0 340.282 2.585 10 5 EFBERN C[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000804547704 1280272056 /nfs/dbraw/zinc/27/20/56/1280272056.db2.gz ACDARCLNJKKXQA-BXUZGUMPSA-N 0 0 331.332 2.787 10 5 EFBERN Cc1ccc(N2CC(n3ccnc3)C2)c([N+](=O)[O-])c1Br ZINC000804546165 1280272501 /nfs/dbraw/zinc/27/25/01/1280272501.db2.gz KTSCAJQZUQPRAE-UHFFFAOYSA-N 0 0 337.177 2.924 10 5 EFBERN C[C@H](C[C@H](O)c1ccco1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 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10 5 EFBERN COCCCOc1ccc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cn1 ZINC001134962936 1287423843 /nfs/dbraw/zinc/42/38/43/1287423843.db2.gz OEKCKEYDQLSSNB-UHFFFAOYSA-N 0 0 345.355 2.966 10 5 EFBERN Cc1cc(C)c(OC(=O)c2ccc3c(n2)OCCO3)c([N+](=O)[O-])c1 ZINC000846781395 1280482566 /nfs/dbraw/zinc/48/25/66/1280482566.db2.gz HLLJBCCUQNSGCG-UHFFFAOYSA-N 0 0 330.296 2.597 10 5 EFBERN O=C(Oc1cccc2c1OCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001130138444 1280502472 /nfs/dbraw/zinc/50/24/72/1280502472.db2.gz UFYDVYDXVNKPRW-UHFFFAOYSA-N 0 0 343.291 2.868 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872099712 1287428473 /nfs/dbraw/zinc/42/84/73/1287428473.db2.gz QMVKHTWFZKDTIZ-KCXAZCMYSA-N 0 0 336.388 2.508 10 5 EFBERN Cc1cc(C(=O)Nc2cnc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC001130193532 1280561959 /nfs/dbraw/zinc/56/19/59/1280561959.db2.gz CPOXSSKPCSUQEN-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN Cn1ccnc1[C@H](NC[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000872107523 1287430761 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COc1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)c(N)c1F ZINC000805600528 1280650467 /nfs/dbraw/zinc/65/04/67/1280650467.db2.gz NHOQGYRSCHPQKD-UHFFFAOYSA-N 0 0 326.305 2.743 10 5 EFBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)OCc1ccccc1 ZINC001130292235 1280659707 /nfs/dbraw/zinc/65/97/07/1280659707.db2.gz MXMXXXASHFFGIC-NSHDSACASA-N 0 0 346.314 2.596 10 5 EFBERN Nc1c(C(=O)NCCOCC2CCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001130293633 1280661272 /nfs/dbraw/zinc/66/12/72/1280661272.db2.gz KXQUWFYZHMJKJO-UHFFFAOYSA-N 0 0 343.383 2.877 10 5 EFBERN COc1cnc(F)c(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1 ZINC000846993279 1280680605 /nfs/dbraw/zinc/68/06/05/1280680605.db2.gz NXBISNFTBQLMNS-UHFFFAOYSA-N 0 0 335.291 2.506 10 5 EFBERN C[C@@H](OC(=O)CO[C@@H](C)c1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000805687270 1280717638 /nfs/dbraw/zinc/71/76/38/1280717638.db2.gz ZWUMOOJBXFZOPM-NEPJUHHUSA-N 0 0 333.344 2.710 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)OC ZINC001130359602 1280731770 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EFBERN CC[C@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001175524640 1287465265 /nfs/dbraw/zinc/46/52/65/1287465265.db2.gz ZYQZSLOHPLLUCV-AWEZNQCLSA-N 0 0 342.351 2.995 10 5 EFBERN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccon1 ZINC001146932340 1281069971 /nfs/dbraw/zinc/06/99/71/1281069971.db2.gz ALUQMANXKOGFGX-UHFFFAOYSA-N 0 0 340.339 2.920 10 5 EFBERN COC[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001130657780 1281084225 /nfs/dbraw/zinc/08/42/25/1281084225.db2.gz WFBOMBPTUDOTQD-CQSZACIVSA-N 0 0 348.330 2.860 10 5 EFBERN COc1cccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1C ZINC001147364779 1281156781 /nfs/dbraw/zinc/15/67/81/1281156781.db2.gz NQDJPJKWFHIRSO-UHFFFAOYSA-N 0 0 344.323 2.742 10 5 EFBERN O=C(CCCn1cccn1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001130756149 1281160081 /nfs/dbraw/zinc/16/00/81/1281160081.db2.gz STBZNCUMZMCKGD-UHFFFAOYSA-N 0 0 325.328 2.758 10 5 EFBERN CC(C)CC[C@@H](CO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001147391736 1281161982 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O=C(CCCn1ccnc1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130956764 1281321505 /nfs/dbraw/zinc/32/15/05/1281321505.db2.gz GCBWKIKPAJTVNK-UHFFFAOYSA-N 0 0 325.328 2.758 10 5 EFBERN CCCn1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cn1 ZINC001147888229 1281322953 /nfs/dbraw/zinc/32/29/53/1281322953.db2.gz LKBRJFNHAQDACQ-UHFFFAOYSA-N 0 0 340.343 2.844 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccn(CC(F)F)n1 ZINC001130959732 1281323581 /nfs/dbraw/zinc/32/35/81/1281323581.db2.gz LGRXLMGEKJFUOW-UHFFFAOYSA-N 0 0 347.281 2.857 10 5 EFBERN Cn1cnc2c1nccc2C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130959668 1281324529 /nfs/dbraw/zinc/32/45/29/1281324529.db2.gz JMJBHCGGOHABMZ-UHFFFAOYSA-N 0 0 348.322 2.677 10 5 EFBERN CSc1ccc(F)cc1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001147863028 1281333709 /nfs/dbraw/zinc/33/37/09/1281333709.db2.gz ZXDLSEFGMRADEW-UHFFFAOYSA-N 0 0 344.755 2.762 10 5 EFBERN Cc1cncc(Br)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001130992300 1281356485 /nfs/dbraw/zinc/35/64/85/1281356485.db2.gz 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338.791 2.865 10 5 EFBERN C[C@@H](CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C(C)(C)C ZINC001133598804 1285666350 /nfs/dbraw/zinc/66/63/50/1285666350.db2.gz OATGIMYBKCGGIZ-NSHDSACASA-N 0 0 331.376 2.588 10 5 EFBERN Cn1cnc2cc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)ccc21 ZINC001133598474 1285666508 /nfs/dbraw/zinc/66/65/08/1285666508.db2.gz JYOZDEHVFTTYKI-UHFFFAOYSA-N 0 0 338.367 2.731 10 5 EFBERN CC(=O)c1cc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)on1 ZINC000813136395 1285671169 /nfs/dbraw/zinc/67/11/69/1285671169.db2.gz CFEUDLAWYQSEHP-UHFFFAOYSA-N 0 0 329.268 2.624 10 5 EFBERN CCOC(=O)C1(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000813147950 1285675925 /nfs/dbraw/zinc/67/59/25/1285675925.db2.gz JJGYCAOROHYYKK-RMKNXTFCSA-N 0 0 333.340 2.885 10 5 EFBERN C[C@H](COC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813105234 1285676269 /nfs/dbraw/zinc/67/62/69/1285676269.db2.gz KXHOSCSBYPVNJP-FBIMIBRVSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@@H](COC(=O)Cn1c2ccccc2nc1SC(F)F)[N+](=O)[O-] ZINC000813105421 1285677041 /nfs/dbraw/zinc/67/70/41/1285677041.db2.gz MAYXEYHSITVFQJ-QMMMGPOBSA-N 0 0 345.327 2.559 10 5 EFBERN C[C@H](COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)[N+](=O)[O-] ZINC000813106599 1285679283 /nfs/dbraw/zinc/67/92/83/1285679283.db2.gz FBOFGGZGNZHMRN-SECBINFHSA-N 0 0 343.261 2.713 10 5 EFBERN C[C@H](COC(=O)CCc1cc(F)ccc1Br)[N+](=O)[O-] ZINC000813114717 1285685214 /nfs/dbraw/zinc/68/52/14/1285685214.db2.gz GEXGMYLTUQAFCF-MRVPVSSYSA-N 0 0 334.141 2.729 10 5 EFBERN CO[C@@H](C)CCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171910 1285701457 /nfs/dbraw/zinc/70/14/57/1285701457.db2.gz WXUDWLRNYUSGCV-BBRMVZONSA-N 0 0 336.388 2.527 10 5 EFBERN CC(C)SCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170703 1285701585 /nfs/dbraw/zinc/70/15/85/1285701585.db2.gz KIBVSOSJQUDLMY-HNNXBMFYSA-N 0 0 338.429 2.854 10 5 EFBERN CO[C@H](C)CCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171911 1285702317 /nfs/dbraw/zinc/70/23/17/1285702317.db2.gz WXUDWLRNYUSGCV-CJNGLKHVSA-N 0 0 336.388 2.527 10 5 EFBERN O=C(NCCc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])s1 ZINC001133647883 1285728324 /nfs/dbraw/zinc/72/83/24/1285728324.db2.gz BSTSOSRTHVAFOF-UHFFFAOYSA-N 0 0 348.380 2.790 10 5 EFBERN COc1ccccc1OCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001133654379 1285735485 /nfs/dbraw/zinc/73/54/85/1285735485.db2.gz IJTDMCCTSIIJLP-GFCCVEGCSA-N 0 0 330.340 2.860 10 5 EFBERN CSc1c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cnn1C ZINC000813244269 1285758901 /nfs/dbraw/zinc/75/89/01/1285758901.db2.gz VJUHNUWKYJPGIC-UHFFFAOYSA-N 0 0 326.765 2.956 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]([C@@H]4CCOC4)C3)cc2N1 ZINC000747843313 1285765898 /nfs/dbraw/zinc/76/58/98/1285765898.db2.gz DVACSTPYNXCUDE-UONOGXRCSA-N 0 0 345.399 2.732 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC001133685763 1285779783 /nfs/dbraw/zinc/77/97/83/1285779783.db2.gz CLBDQVGNSLELMN-UHFFFAOYSA-N 0 0 345.330 2.679 10 5 EFBERN O=C(Cc1ccon1)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000813304564 1285799213 /nfs/dbraw/zinc/79/92/13/1285799213.db2.gz DAAMWWQYYBTTJP-UHFFFAOYSA-N 0 0 345.336 2.992 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2c3c(nn2C)CCCC3)c1[N+](=O)[O-] ZINC000813313325 1285808932 /nfs/dbraw/zinc/80/89/32/1285808932.db2.gz RTBIZRRCMPCKEC-UHFFFAOYSA-N 0 0 346.362 2.585 10 5 EFBERN O=C(N=[S@]1(=O)CCc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001133787949 1285940343 /nfs/dbraw/zinc/94/03/43/1285940343.db2.gz FCZOCHVOFMWIFM-QHCPKHFHSA-N 0 0 334.328 2.957 10 5 EFBERN O=C(NCC1(CCO)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813527560 1285965344 /nfs/dbraw/zinc/96/53/44/1285965344.db2.gz PZQBVBRGAXDSAS-UHFFFAOYSA-N 0 0 333.171 2.794 10 5 EFBERN COc1cccc([C@H](O)CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000813593580 1286006939 /nfs/dbraw/zinc/00/69/39/1286006939.db2.gz SBLUVZRDTJFMNR-QGZVFWFLSA-N 0 0 339.351 2.719 10 5 EFBERN C[C@H](CNC(=O)OC(C)(C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000813601325 1286016723 /nfs/dbraw/zinc/01/67/23/1286016723.db2.gz QAUOUOMCIBWPNR-LLVKDONJSA-N 0 0 346.387 2.890 10 5 EFBERN C[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000813605359 1286020278 /nfs/dbraw/zinc/02/02/78/1286020278.db2.gz KQZPACBFHGTONS-NSHDSACASA-N 0 0 346.387 2.890 10 5 EFBERN CC[C@H]1CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000813639538 1286035852 /nfs/dbraw/zinc/03/58/52/1286035852.db2.gz BVBLILBCZIMABA-QMMMGPOBSA-N 0 0 338.307 2.877 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001133873897 1286059045 /nfs/dbraw/zinc/05/90/45/1286059045.db2.gz PEBVTBHCHDVCAJ-OLZOCXBDSA-N 0 0 345.380 2.758 10 5 EFBERN CC(C)Cc1coc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC001133921368 1286118639 /nfs/dbraw/zinc/11/86/39/1286118639.db2.gz DFGHFQFISWKOOE-UHFFFAOYSA-N 0 0 347.327 2.805 10 5 EFBERN CC(C)(C)[S@](C)(=O)=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001134004607 1286209113 /nfs/dbraw/zinc/20/91/13/1286209113.db2.gz GRBCCOUSXRFPRF-QFIPXVFZSA-N 0 0 329.334 2.540 10 5 EFBERN COCC(C)(C)COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813995752 1286222711 /nfs/dbraw/zinc/22/27/11/1286222711.db2.gz VIIOMMAQNKAYIS-UHFFFAOYSA-N 0 0 340.332 2.651 10 5 EFBERN C[S@](=O)(=NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001134011967 1286231601 /nfs/dbraw/zinc/23/16/01/1286231601.db2.gz DFLXODBJUNSGGP-HSZRJFAPSA-N 0 0 336.344 2.960 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000814035512 1286253245 /nfs/dbraw/zinc/25/32/45/1286253245.db2.gz OKKFOYMQXKJHSP-SECBINFHSA-N 0 0 343.261 2.713 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)c1cccc(Br)c1 ZINC000814035167 1286254889 /nfs/dbraw/zinc/25/48/89/1286254889.db2.gz KQYPYQBSLAATPC-SECBINFHSA-N 0 0 330.178 2.935 10 5 EFBERN CCCc1c(C(=O)O[C@H](C)C[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000814037031 1286269537 /nfs/dbraw/zinc/26/95/37/1286269537.db2.gz PQPXCBGAHAHZLA-LLVKDONJSA-N 0 0 335.335 2.786 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)CCCc1cccc(Br)c1 ZINC000814040551 1286271792 /nfs/dbraw/zinc/27/17/92/1286271792.db2.gz ISYXFRMHOIOLJU-SNVBAGLBSA-N 0 0 330.178 2.980 10 5 EFBERN COc1ccc(C(=O)CC(C)(C)CC(=O)O[C@@H](C)C[N+](=O)[O-])cc1 ZINC000814042619 1286272631 /nfs/dbraw/zinc/27/26/31/1286272631.db2.gz YHCVGDOHVDNCPI-LBPRGKRZSA-N 0 0 337.372 2.893 10 5 EFBERN Cc1ccc(/C=C\C(=O)O[C@@H](C)C[N+](=O)[O-])c(Br)c1 ZINC000814043793 1286272960 /nfs/dbraw/zinc/27/29/60/1286272960.db2.gz JMNOFCGNBCPIDC-OMMCCPJFSA-N 0 0 328.162 2.979 10 5 EFBERN CCCc1c(C(=O)O[C@H](C)C[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000814044306 1286274027 /nfs/dbraw/zinc/27/40/27/1286274027.db2.gz CTGIAEJNSLUPKO-CYBMUJFWSA-N 0 0 331.372 2.955 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000814046031 1286274173 /nfs/dbraw/zinc/27/41/73/1286274173.db2.gz ARSAWGWPWZBKQQ-SECBINFHSA-N 0 0 343.261 2.713 10 5 EFBERN CCCc1c(C(=O)O[C@@H](C)C[N+](=O)[O-])cnn1-c1cccc(F)c1 ZINC000814044538 1286274393 /nfs/dbraw/zinc/27/43/93/1286274393.db2.gz HJEQVAHFAYHYQY-NSHDSACASA-N 0 0 335.335 2.786 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000814045458 1286274482 /nfs/dbraw/zinc/27/44/82/1286274482.db2.gz SQNSYQSIJLUXNF-ZCFIWIBFSA-N 0 0 341.213 2.711 10 5 EFBERN CCCc1c(C(=O)O[C@@H](C)C[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000814044307 1286274502 /nfs/dbraw/zinc/27/45/02/1286274502.db2.gz CTGIAEJNSLUPKO-ZDUSSCGKSA-N 0 0 331.372 2.955 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000814048556 1286276684 /nfs/dbraw/zinc/27/66/84/1286276684.db2.gz URYYSYWNFCPJOV-SECBINFHSA-N 0 0 343.261 2.713 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)CN(Cc1ccccc1)c1ccccc1 ZINC000814047033 1286276764 /nfs/dbraw/zinc/27/67/64/1286276764.db2.gz KGSWBECDVZJGJV-OAHLLOKOSA-N 0 0 328.368 2.902 10 5 EFBERN CCc1nc(C)c(COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1 ZINC000814068075 1286285257 /nfs/dbraw/zinc/28/52/57/1286285257.db2.gz FXJKHCIFICOWPD-UHFFFAOYSA-N 0 0 333.344 2.877 10 5 EFBERN Cc1[nH]nc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c1C ZINC001136610498 1289065448 /nfs/dbraw/zinc/06/54/48/1289065448.db2.gz FLGIWNMGLGMPTA-UHFFFAOYSA-N 0 0 327.703 2.562 10 5 EFBERN CCOc1cc(C(=O)OCc2ocnc2C)c([N+](=O)[O-])cc1OC ZINC000814098678 1286314582 /nfs/dbraw/zinc/31/45/82/1286314582.db2.gz XXXOZNLVUGBPIK-UHFFFAOYSA-N 0 0 336.300 2.656 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(F)c(F)c1 ZINC001134133864 1286359659 /nfs/dbraw/zinc/35/96/59/1286359659.db2.gz WCBFETYCOBHMLY-MRVPVSSYSA-N 0 0 349.293 2.714 10 5 EFBERN CC(C)(C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC001134133736 1286360786 /nfs/dbraw/zinc/36/07/86/1286360786.db2.gz SHPHUBNVZRKGJC-UHFFFAOYSA-N 0 0 327.340 2.610 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cccc(C(F)F)c2)ccc1[N+](=O)[O-] ZINC001134133962 1286361055 /nfs/dbraw/zinc/36/10/55/1286361055.db2.gz ZDUALIFWESMUHO-UHFFFAOYSA-N 0 0 335.266 2.884 10 5 EFBERN COC(=O)c1cccc2c1CCN2C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001134125981 1286371758 /nfs/dbraw/zinc/37/17/58/1286371758.db2.gz SSCNIOGBBQUJRP-UHFFFAOYSA-N 0 0 340.335 2.893 10 5 EFBERN Cc1cccc(Cl)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001134137652 1286387087 /nfs/dbraw/zinc/38/70/87/1286387087.db2.gz RHOWDJDSQHFMAN-UHFFFAOYSA-N 0 0 347.758 2.837 10 5 EFBERN CC1(C)C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCS1 ZINC001134188125 1286434224 /nfs/dbraw/zinc/43/42/24/1286434224.db2.gz MMTIMJTZZLCYIQ-SECBINFHSA-N 0 0 334.401 2.875 10 5 EFBERN CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCS1 ZINC001134188394 1286434568 /nfs/dbraw/zinc/43/45/68/1286434568.db2.gz VMEFYGXIJIDFER-JTQLQIEISA-N 0 0 339.373 2.907 10 5 EFBERN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001134271222 1286516196 /nfs/dbraw/zinc/51/61/96/1286516196.db2.gz SUQLUAOYDSUEAE-GFCCVEGCSA-N 0 0 343.339 2.965 10 5 EFBERN CCOc1ccc(C(=O)NCc2c(C)noc2CC)cc1[N+](=O)[O-] ZINC001134293950 1286524416 /nfs/dbraw/zinc/52/44/16/1286524416.db2.gz XXZIIJIGGQIAAU-UHFFFAOYSA-N 0 0 333.344 2.782 10 5 EFBERN NC(=O)c1cc(NC(=O)c2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC001134357977 1286590084 /nfs/dbraw/zinc/59/00/84/1286590084.db2.gz HOQNADMEEDPATO-UHFFFAOYSA-N 0 0 337.694 2.739 10 5 EFBERN NC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001134358401 1286590796 /nfs/dbraw/zinc/59/07/96/1286590796.db2.gz YHVWPPMQCHFRBE-UHFFFAOYSA-N 0 0 333.731 2.528 10 5 EFBERN C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1c1ccccc1 ZINC001134357902 1286590912 /nfs/dbraw/zinc/59/09/12/1286590912.db2.gz DESWAFWMMMZGEI-KDOFPFPSSA-N 0 0 339.351 2.826 10 5 EFBERN C[C@H]1Cc2cc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)ccc2O1 ZINC001134359167 1286591505 /nfs/dbraw/zinc/59/15/05/1286591505.db2.gz XXTJSXHRGPPJDC-VIFPVBQESA-N 0 0 342.307 2.899 10 5 EFBERN COc1c(C(=O)Nc2cc(C(F)(F)F)n(C)n2)cccc1[N+](=O)[O-] ZINC001134375291 1286610950 /nfs/dbraw/zinc/61/09/50/1286610950.db2.gz VZTTVPNYBFBPNR-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN Cc1ccncc1COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000814482011 1286651862 /nfs/dbraw/zinc/65/18/62/1286651862.db2.gz HLGSATFEUAFPBJ-UHFFFAOYSA-N 0 0 333.319 2.860 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001134433905 1286735931 /nfs/dbraw/zinc/73/59/31/1286735931.db2.gz SCTMRTWYKUVWRK-UHFFFAOYSA-N 0 0 332.743 2.904 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001134433568 1286736094 /nfs/dbraw/zinc/73/60/94/1286736094.db2.gz IXZAMGKOMACEFP-UHFFFAOYSA-N 0 0 334.278 2.529 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001134470565 1286754018 /nfs/dbraw/zinc/75/40/18/1286754018.db2.gz IJCFTTBOYGRHGS-UHFFFAOYSA-N 0 0 331.328 2.822 10 5 EFBERN Cn1cc(CC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)n1 ZINC000814579834 1286774134 /nfs/dbraw/zinc/77/41/34/1286774134.db2.gz GNYVTKNJFHNGDD-UHFFFAOYSA-N 0 0 344.154 2.921 10 5 EFBERN C[C@@H](CNC(=O)CN1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001134495178 1286815729 /nfs/dbraw/zinc/81/57/29/1286815729.db2.gz GHKQBYCPXGTLDQ-AWEZNQCLSA-N 0 0 339.395 2.877 10 5 EFBERN CC(=O)Nc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(F)cc1F ZINC000822804719 1289109877 /nfs/dbraw/zinc/10/98/77/1289109877.db2.gz GWOMENWWKNCKEW-UHFFFAOYSA-N 0 0 329.303 2.697 10 5 EFBERN COc1cc(C(=O)NC[C@@H]2CCCC(C)(C)O2)cc([N+](=O)[O-])c1C ZINC001134582133 1286914751 /nfs/dbraw/zinc/91/47/51/1286914751.db2.gz RWTZPEJXAGDZRU-ZDUSSCGKSA-N 0 0 336.388 2.989 10 5 EFBERN CC(=O)N1CCC[C@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000796979937 1286944794 /nfs/dbraw/zinc/94/47/94/1286944794.db2.gz APQMHIYFMKDVGY-AWEZNQCLSA-N 0 0 348.399 2.674 10 5 EFBERN Cc1c(C(=O)NC[C@]2(C)CCCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001134614866 1286951162 /nfs/dbraw/zinc/95/11/62/1286951162.db2.gz QDVPBQNGQKMGSG-HNNXBMFYSA-N 0 0 337.332 2.500 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccnn1C1CCC1 ZINC001134598923 1286958799 /nfs/dbraw/zinc/95/87/99/1286958799.db2.gz KNUINXLFEXKVRD-UHFFFAOYSA-N 0 0 340.343 2.505 10 5 EFBERN O=C(NC[C@@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001134599120 1286960278 /nfs/dbraw/zinc/96/02/78/1286960278.db2.gz LLKGLYOPRHAWCQ-AWEZNQCLSA-N 0 0 349.343 2.725 10 5 EFBERN O=C(NCc1ccc2nonc2c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001134659303 1287000051 /nfs/dbraw/zinc/00/00/51/1287000051.db2.gz XITDBPMDCSTRSR-UHFFFAOYSA-N 0 0 338.279 2.807 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1(CO)CCCCCCC1 ZINC000871403260 1287043940 /nfs/dbraw/zinc/04/39/40/1287043940.db2.gz GSPJDIIWDLKXNL-UHFFFAOYSA-N 0 0 338.379 2.868 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001134684628 1287044906 /nfs/dbraw/zinc/04/49/06/1287044906.db2.gz DKTGIGMLTVDNNY-UHFFFAOYSA-N 0 0 345.355 2.887 10 5 EFBERN Cc1ccc(C(=O)N2CCO[C@@](C)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000871443442 1287074471 /nfs/dbraw/zinc/07/44/71/1287074471.db2.gz DZCDQAKSWSDBQL-CYBMUJFWSA-N 0 0 332.278 2.697 10 5 EFBERN O=C(N[C@H]1CCCc2cccnc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001134682798 1287078263 /nfs/dbraw/zinc/07/82/63/1287078263.db2.gz ZLKXJRRGRDMGTJ-LBPRGKRZSA-N 0 0 341.323 2.526 10 5 EFBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000871471323 1287093512 /nfs/dbraw/zinc/09/35/12/1287093512.db2.gz JCOIFBRFJPQCGA-CQSZACIVSA-N 0 0 334.372 2.542 10 5 EFBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000871473671 1287096497 /nfs/dbraw/zinc/09/64/97/1287096497.db2.gz PLLMCYBPASMXPA-AWEZNQCLSA-N 0 0 338.335 2.752 10 5 EFBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000871473563 1287096621 /nfs/dbraw/zinc/09/66/21/1287096621.db2.gz OLDINLAYNLSMSL-ZDUSSCGKSA-N 0 0 338.335 2.752 10 5 EFBERN O=C(NC1CC2(CSC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000871513821 1287121243 /nfs/dbraw/zinc/12/12/43/1287121243.db2.gz DTQYZWBVNYEBNR-UHFFFAOYSA-N 0 0 347.440 2.820 10 5 EFBERN Cc1c(CC(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000871540162 1287135365 /nfs/dbraw/zinc/13/53/65/1287135365.db2.gz NBDYZOYAJBBQDE-OKILXGFUSA-N 0 0 348.399 2.682 10 5 EFBERN CNc1ccc(C(=O)NC[C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000871573540 1287153481 /nfs/dbraw/zinc/15/34/81/1287153481.db2.gz CNPZVZLGGBJIGN-CYBMUJFWSA-N 0 0 333.388 2.573 10 5 EFBERN Cc1cc(F)cc(C(=O)NC[C@@H]2CCC23CCOCC3)c1[N+](=O)[O-] ZINC000871582673 1287159658 /nfs/dbraw/zinc/15/96/58/1287159658.db2.gz VRMGWVRLFAZFEM-LBPRGKRZSA-N 0 0 336.363 2.979 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc([C@@H]3CCS(=O)(=O)C3)n2)c(F)c1 ZINC000871600198 1287167040 /nfs/dbraw/zinc/16/70/40/1287167040.db2.gz LAVYRAHLOKENRR-MRVPVSSYSA-N 0 0 342.373 2.760 10 5 EFBERN COC(=O)/C=C/c1ccc(NC[C@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000814939836 1287168843 /nfs/dbraw/zinc/16/88/43/1287168843.db2.gz GBSPDPYQPYBWCD-XTYZTNOKSA-N 0 0 334.372 2.744 10 5 EFBERN COC(=O)/C=C\c1ccc(NC[C@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000814939837 1287168955 /nfs/dbraw/zinc/16/89/55/1287168955.db2.gz GBSPDPYQPYBWCD-XYMUIJLSSA-N 0 0 334.372 2.744 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000814941169 1287169576 /nfs/dbraw/zinc/16/95/76/1287169576.db2.gz DNMIXUSNJCIPGJ-MRXNPFEDSA-N 0 0 326.368 2.977 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])ccc2C(C)=O)[C@@H]1n1cccn1 ZINC000814963971 1287190964 /nfs/dbraw/zinc/19/09/64/1287190964.db2.gz LCLLPJJEOACRKO-BBWFWOEESA-N 0 0 344.371 2.825 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3nc4c(o3)CCCC4)n2)c1 ZINC000871650784 1287191450 /nfs/dbraw/zinc/19/14/50/1287191450.db2.gz GOESGYDYFPQOQK-UHFFFAOYSA-N 0 0 325.328 2.768 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000871651688 1287192047 /nfs/dbraw/zinc/19/20/47/1287192047.db2.gz KXHGQRJUSJEAHQ-KMFMINBZSA-N 0 0 341.367 2.776 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000814965343 1287192131 /nfs/dbraw/zinc/19/21/31/1287192131.db2.gz KYEZHWMYBYRAFH-BPLDGKMQSA-N 0 0 347.331 2.530 10 5 EFBERN O=[N+]([O-])c1cn(Cc2nc3c(o2)CCCC3)nc1-c1ccc(F)cn1 ZINC000871674195 1287200966 /nfs/dbraw/zinc/20/09/66/1287200966.db2.gz UFBGBJPXWJGGIX-UHFFFAOYSA-N 0 0 343.318 2.908 10 5 EFBERN COc1cc(C(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc([N+](=O)[O-])c1C ZINC001135220514 1287830870 /nfs/dbraw/zinc/83/08/70/1287830870.db2.gz BQEYWUOTJURVGL-SJLPKXTDSA-N 0 0 348.399 2.943 10 5 EFBERN CC(C)(C)n1nnc(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC001135225420 1287834367 /nfs/dbraw/zinc/83/43/67/1287834367.db2.gz BMNRSUOUSBLBBW-UHFFFAOYSA-N 0 0 340.343 2.742 10 5 EFBERN CO[C@@H]1CCC[C@H](C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000815925690 1287894203 /nfs/dbraw/zinc/89/42/03/1287894203.db2.gz NFGQGHSDTOBGIF-XJKSGUPXSA-N 0 0 336.388 2.779 10 5 EFBERN CC(C)(F)c1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)no1 ZINC001135373139 1287980325 /nfs/dbraw/zinc/98/03/25/1287980325.db2.gz IHWOJDHMXRVACW-UHFFFAOYSA-N 0 0 333.279 2.916 10 5 EFBERN Cn1c(=O)c(COC(=O)c2csc([N+](=O)[O-])c2)cc2ccccc21 ZINC000816169050 1288012803 /nfs/dbraw/zinc/01/28/03/1288012803.db2.gz DLVHSRMTYBFBLT-UHFFFAOYSA-N 0 0 344.348 2.865 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCOc1ccccc1 ZINC001135460022 1288027136 /nfs/dbraw/zinc/02/71/36/1288027136.db2.gz VRVDFZURZQAESE-UHFFFAOYSA-N 0 0 342.351 2.753 10 5 EFBERN Cc1nsc(C)c1COC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000816340470 1288063771 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Cc1ncoc1-c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC001178330182 1288735333 /nfs/dbraw/zinc/73/53/33/1288735333.db2.gz PMAPMMOMIAGKNF-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN C[C@H](C(=O)N1CCC(c2ncon2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001178359049 1288764099 /nfs/dbraw/zinc/76/40/99/1288764099.db2.gz ZNVIYRIVTZHTCB-JTQLQIEISA-N 0 0 348.334 2.627 10 5 EFBERN Cc1nc(CC2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)no1 ZINC001178496266 1288789448 /nfs/dbraw/zinc/78/94/48/1288789448.db2.gz YSHBSEGOQQELNH-UHFFFAOYSA-N 0 0 344.371 2.690 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000821806764 1288799762 /nfs/dbraw/zinc/79/97/62/1288799762.db2.gz SZBAOBOEFFYHJR-UHFFFAOYSA-N 0 0 344.371 2.613 10 5 EFBERN CC(C)c1nnc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[nH]1 ZINC001136555191 1288907372 /nfs/dbraw/zinc/90/73/72/1288907372.db2.gz GEXUJVNSUDHMEY-UHFFFAOYSA-N 0 0 327.703 2.881 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](c2cnccn2)C1 ZINC001178841617 1288939071 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CCC[C@H](O)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001179584553 1289202513 /nfs/dbraw/zinc/20/25/13/1289202513.db2.gz YFQBNWDAJQCUIO-JTQLQIEISA-N 0 0 342.417 2.606 10 5 EFBERN Cc1ncsc1CCCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC001165856215 1312692387 /nfs/dbraw/zinc/69/23/87/1312692387.db2.gz IDALKPPQBAFRGX-UHFFFAOYSA-N 0 0 346.368 2.809 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1C[C@H](O)C12CCC2 ZINC000823252738 1289250299 /nfs/dbraw/zinc/25/02/99/1289250299.db2.gz FTCJOSALAZMHPL-MNOVXSKESA-N 0 0 325.752 2.673 10 5 EFBERN O=C(NCCO[C@H]1CC1(F)F)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823254133 1289250391 /nfs/dbraw/zinc/25/03/91/1289250391.db2.gz SPTYOULZVRIEKA-VIFPVBQESA-N 0 0 335.694 2.794 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2COC[C@H]2C1 ZINC000823252356 1289250806 /nfs/dbraw/zinc/25/08/06/1289250806.db2.gz AYJFXVZKLGFTSQ-NXEZZACHSA-N 0 0 325.752 2.748 10 5 EFBERN CC(C)[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cnn(C)c1 ZINC001179762837 1289262531 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10 5 EFBERN CC1(C)C(C)(C)C1(C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001179991024 1289357550 /nfs/dbraw/zinc/35/75/50/1289357550.db2.gz NLRPGKGUOYHJPF-UHFFFAOYSA-N 0 0 348.403 2.657 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000825623550 1289381417 /nfs/dbraw/zinc/38/14/17/1289381417.db2.gz ZBQRIBPXDRCFAG-GJZGRUSLSA-N 0 0 347.415 2.576 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC001180044774 1289395164 /nfs/dbraw/zinc/39/51/64/1289395164.db2.gz SPOCYNFYHJKVTG-MEDUHNTESA-N 0 0 331.397 2.901 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000825628471 1289413551 /nfs/dbraw/zinc/41/35/51/1289413551.db2.gz XILQDFXNYBNTNL-GJZGRUSLSA-N 0 0 348.399 2.786 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(CCO)cc1 ZINC001180193768 1289454675 /nfs/dbraw/zinc/45/46/75/1289454675.db2.gz WASFOENHUROWJN-UHFFFAOYSA-N 0 0 332.331 2.507 10 5 EFBERN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)(C)O ZINC001180276768 1289480323 /nfs/dbraw/zinc/48/03/23/1289480323.db2.gz KXZGYQZQERHKPU-NSHDSACASA-N 0 0 329.356 2.546 10 5 EFBERN COCC[C@@H]1CCCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823962319 1289491434 /nfs/dbraw/zinc/49/14/34/1289491434.db2.gz RLHKTIAGCURYIN-LBPRGKRZSA-N 0 0 336.392 2.848 10 5 EFBERN Nc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000823933390 1289494914 /nfs/dbraw/zinc/49/49/14/1289494914.db2.gz PZCUBAXTGVWPTL-XNRPHZJLSA-N 0 0 348.403 2.724 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000823933534 1289495172 /nfs/dbraw/zinc/49/51/72/1289495172.db2.gz SLNMVWBYGNZQFN-NHYWBVRUSA-N 0 0 336.392 2.750 10 5 EFBERN Nc1ccc(NC(=O)N2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000823944871 1289496252 /nfs/dbraw/zinc/49/62/52/1289496252.db2.gz GXSKQKRPXHNGAO-UHFFFAOYSA-N 0 0 341.165 2.693 10 5 EFBERN Nc1ccc(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000823974351 1289503155 /nfs/dbraw/zinc/50/31/55/1289503155.db2.gz QHFAAKLLPAZQOQ-XHDPSFHLSA-N 0 0 336.392 2.630 10 5 EFBERN Nc1ccc(NC(=O)N2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000823979720 1289504069 /nfs/dbraw/zinc/50/40/69/1289504069.db2.gz ABGMZOKXSQKADL-ZDUSSCGKSA-N 0 0 348.384 2.844 10 5 EFBERN CC[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000823988556 1289507671 /nfs/dbraw/zinc/50/76/71/1289507671.db2.gz WTNAUKWWUZJNLL-CYBMUJFWSA-N 0 0 346.391 2.800 10 5 EFBERN CC(C)COC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823998548 1289510842 /nfs/dbraw/zinc/51/08/42/1289510842.db2.gz QGNXCBFSUMKDIV-UHFFFAOYSA-N 0 0 336.392 2.846 10 5 EFBERN CCOC1CC2(C[C@@H]2NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000873027598 1289528192 /nfs/dbraw/zinc/52/81/92/1289528192.db2.gz WDVDSJYETHBMHI-MJFNJUPNSA-N 0 0 333.388 2.913 10 5 EFBERN CC(C)[C@H](O)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001136825119 1289543445 /nfs/dbraw/zinc/54/34/45/1289543445.db2.gz MMULVQNUBRLVKD-OAHLLOKOSA-N 0 0 343.383 2.794 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1c2ccccc2C[C@H]1CO 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EFBERN CC(C)(C)c1ccc(NC(=O)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000803614837 1312883857 /nfs/dbraw/zinc/88/38/57/1312883857.db2.gz YQUFTOIWVIDINQ-UHFFFAOYSA-N 0 0 335.404 2.553 10 5 EFBERN COc1cc(OCC(=O)OCC(C)(C)SC)ccc1[N+](=O)[O-] ZINC000775319341 1291852175 /nfs/dbraw/zinc/85/21/75/1291852175.db2.gz GEMQHONTANBYPR-UHFFFAOYSA-N 0 0 329.374 2.667 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCC(F)F ZINC000796012028 1291869944 /nfs/dbraw/zinc/86/99/44/1291869944.db2.gz RNMOBSSVHIZMKM-MRVPVSSYSA-N 0 0 346.286 2.519 10 5 EFBERN O=C(CCC(F)F)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000796020937 1291876023 /nfs/dbraw/zinc/87/60/23/1291876023.db2.gz KKTWWWOUNVEPIP-UHFFFAOYSA-N 0 0 327.243 2.733 10 5 EFBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[C@@H]32)c1 ZINC000796031517 1291889824 /nfs/dbraw/zinc/88/98/24/1291889824.db2.gz FYBMNZCFEZWZQZ-ZJUUUORDSA-N 0 0 330.793 2.730 10 5 EFBERN COC(C)(C)C(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001190178858 1292045870 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C[C@@H](C[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-])C(=O)[O-] ZINC000903595911 1312916795 /nfs/dbraw/zinc/91/67/95/1312916795.db2.gz LZSCSUSKUQAGCP-ZDUSSCGKSA-N 0 0 329.356 2.713 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc2n(n1)CCCC2 ZINC000880615192 1292560464 /nfs/dbraw/zinc/56/04/64/1292560464.db2.gz YJIQTSQMZIACTQ-RAXLEYEMSA-N 0 0 340.383 2.847 10 5 EFBERN CCOc1cccc(COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000796254760 1292625499 /nfs/dbraw/zinc/62/54/99/1292625499.db2.gz YCWXOERXQVKQSK-UHFFFAOYSA-N 0 0 334.332 2.592 10 5 EFBERN Cc1nnc(CN(CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C)o1 ZINC001191730789 1292644222 /nfs/dbraw/zinc/64/42/22/1292644222.db2.gz FFDHQKFCZDYAOM-UHFFFAOYSA-N 0 0 334.376 2.966 10 5 EFBERN COc1c(C(=O)OCc2csc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000796308994 1292856022 /nfs/dbraw/zinc/85/60/22/1292856022.db2.gz MICYSXHZMKGKQH-UHFFFAOYSA-N 0 0 338.297 2.930 10 5 EFBERN COc1c(C(=O)OCC(=O)[C@@H]2Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000796308705 1292856317 /nfs/dbraw/zinc/85/63/17/1292856317.db2.gz DTCMUMITBALZHY-CQSZACIVSA-N 0 0 341.319 2.669 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796308547 1292858849 /nfs/dbraw/zinc/85/88/49/1292858849.db2.gz QPYZZCNGXGDDMF-PRHODGIISA-N 0 0 349.265 2.655 10 5 EFBERN COc1c(C(=O)OCC(=O)Nc2ccccc2F)cccc1[N+](=O)[O-] ZINC000796310813 1292867044 /nfs/dbraw/zinc/86/70/44/1292867044.db2.gz GOTJEQSJKFGUMQ-UHFFFAOYSA-N 0 0 348.286 2.538 10 5 EFBERN COc1cccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000796313642 1292868172 /nfs/dbraw/zinc/86/81/72/1292868172.db2.gz ZVVCBDLHEPCTKU-UHFFFAOYSA-N 0 0 345.307 2.652 10 5 EFBERN CN(CC(=O)NCC1(C)CC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000881524528 1292920005 /nfs/dbraw/zinc/92/00/05/1292920005.db2.gz UNPUNLLDIJLANO-UHFFFAOYSA-N 0 0 327.331 2.583 10 5 EFBERN CO[C@H]1C[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000881574962 1292931979 /nfs/dbraw/zinc/93/19/79/1292931979.db2.gz QIAKWSUOVSDDHJ-CZMCAQCFSA-N 0 0 343.177 2.512 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2nccs2)C1 ZINC000881706032 1292976381 /nfs/dbraw/zinc/97/63/81/1292976381.db2.gz REXYJUBBHIXHGF-SNVBAGLBSA-N 0 0 333.369 2.690 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](c2ccnn2C)C1 ZINC000881828736 1293021025 /nfs/dbraw/zinc/02/10/25/1293021025.db2.gz BCNUXZGPXIGPPQ-CYBMUJFWSA-N 0 0 328.372 2.915 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000881905638 1293048632 /nfs/dbraw/zinc/04/86/32/1293048632.db2.gz VYXFBEVDXLQLKN-AWEZNQCLSA-N 0 0 347.415 2.786 10 5 EFBERN COC[C@H]1C[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000882103437 1293100651 /nfs/dbraw/zinc/10/06/51/1293100651.db2.gz SVALGRVVIRJISK-FOGDFJRCSA-N 0 0 342.779 2.557 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2cc(C)ccn2)CC1 ZINC000882105302 1293100922 /nfs/dbraw/zinc/10/09/22/1293100922.db2.gz SPBWGVJUAFLLID-UHFFFAOYSA-N 0 0 340.383 2.827 10 5 EFBERN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)(F)C(F)(F)F ZINC001192988706 1293119539 /nfs/dbraw/zinc/11/95/39/1293119539.db2.gz IKBQYCKWBFSHQM-UHFFFAOYSA-N 0 0 341.236 2.663 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(Oc2cnccn2)CC1 ZINC000882273829 1293149263 /nfs/dbraw/zinc/14/92/63/1293149263.db2.gz OVWVLLOUWZQRIZ-UHFFFAOYSA-N 0 0 342.355 2.635 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000882294149 1293151489 /nfs/dbraw/zinc/15/14/89/1293151489.db2.gz OSIMKEKVFRXLLS-PXAZEXFGSA-N 0 0 334.372 2.572 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000882465167 1293213887 /nfs/dbraw/zinc/21/38/87/1293213887.db2.gz UBBOPCNTPRZQLQ-CQSZACIVSA-N 0 0 345.399 2.779 10 5 EFBERN COc1cc(C(=O)NC[C@@H]2CCC3(CCC3)O2)c([N+](=O)[O-])cc1F ZINC000882551182 1293243415 /nfs/dbraw/zinc/24/34/15/1293243415.db2.gz MGWUNCJSOLJZCC-JTQLQIEISA-N 0 0 338.335 2.574 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1C1CCOCC1 ZINC000882706898 1293291596 /nfs/dbraw/zinc/29/15/96/1293291596.db2.gz NCPLFGCSCJSGDE-WMLDXEAASA-N 0 0 345.399 2.714 10 5 EFBERN Nc1c(C(=O)N2CCCC[C@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000882913184 1293381253 /nfs/dbraw/zinc/38/12/53/1293381253.db2.gz LRUAZVLRQWUVRA-AWEZNQCLSA-N 0 0 347.415 2.846 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000882975905 1293412976 /nfs/dbraw/zinc/41/29/76/1293412976.db2.gz KYNCXXBYKXFDDY-SNVBAGLBSA-N 0 0 342.220 2.768 10 5 EFBERN CC(=O)c1c(NC[C@H](O)C(F)(F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000882976536 1293413169 /nfs/dbraw/zinc/41/31/69/1293413169.db2.gz GARGRLZMLJRMAU-VIFPVBQESA-N 0 0 342.220 2.768 10 5 EFBERN COc1cccc2c1OCCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000883150737 1293481455 /nfs/dbraw/zinc/48/14/55/1293481455.db2.gz SDLLBVDCACWBQO-ZDUSSCGKSA-N 0 0 345.355 2.586 10 5 EFBERN C[C@@H](NCc1cccnc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC001193965202 1293489695 /nfs/dbraw/zinc/48/96/95/1293489695.db2.gz XEWBAFYXWASUAA-SECBINFHSA-N 0 0 337.177 2.998 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)CC1 ZINC000132386276 1293656808 /nfs/dbraw/zinc/65/68/08/1293656808.db2.gz BMUFEAJRYUXEDP-JTQLQIEISA-N 0 0 330.381 2.853 10 5 EFBERN O=C1NCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1CC1CCCCC1 ZINC001195248992 1293861231 /nfs/dbraw/zinc/86/12/31/1293861231.db2.gz BYAZVRBUIAXUJD-CQSZACIVSA-N 0 0 337.445 2.927 10 5 EFBERN CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccns1 ZINC001195979175 1294091781 /nfs/dbraw/zinc/09/17/81/1294091781.db2.gz RUYXLWUQYNMUOZ-UHFFFAOYSA-N 0 0 340.792 2.775 10 5 EFBERN O=[N+]([O-])c1cnn(Cc2nc([C@@H]3CCSc4ccccc43)no2)c1 ZINC000867145615 1294094379 /nfs/dbraw/zinc/09/43/79/1294094379.db2.gz CQPUXUBZNWBZAC-GFCCVEGCSA-N 0 0 343.368 2.850 10 5 EFBERN Cc1cc(C)c(CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001626139577 1294112128 /nfs/dbraw/zinc/11/21/28/1294112128.db2.gz SJJNCQOCYCCZKJ-LBPRGKRZSA-N 0 0 329.356 2.732 10 5 EFBERN CC(=O)N1CC[C@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC000884509795 1294161687 /nfs/dbraw/zinc/16/16/87/1294161687.db2.gz PNBHXUHVRSAELU-SNVBAGLBSA-N 0 0 331.294 2.894 10 5 EFBERN COC(=O)/C=C/c1ccc(NCC2([C@@H](O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000775696507 1294164999 /nfs/dbraw/zinc/16/49/99/1294164999.db2.gz MYAOHZHWLNUJQJ-UABRLCRWSA-N 0 0 348.399 2.990 10 5 EFBERN CCCn1c(C)nnc1COC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000135137221 1294187579 /nfs/dbraw/zinc/18/75/79/1294187579.db2.gz HPEFOIRVMSOCHS-UHFFFAOYSA-N 0 0 348.359 2.660 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000884697017 1294222665 /nfs/dbraw/zinc/22/26/65/1294222665.db2.gz TWMQDIJYJZMMKV-WHCBVINPSA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000884727753 1294234222 /nfs/dbraw/zinc/23/42/22/1294234222.db2.gz ABCCOEFBCNAHBM-CYBMUJFWSA-N 0 0 332.278 2.549 10 5 EFBERN CC(=O)c1cc(N2CC[C@@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000884728443 1294234434 /nfs/dbraw/zinc/23/44/34/1294234434.db2.gz QRMASYMDFYCHKL-CYBMUJFWSA-N 0 0 332.278 2.549 10 5 EFBERN CCS(=O)(=O)c1cccc(C(=O)Oc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000135845733 1294386808 /nfs/dbraw/zinc/38/68/08/1294386808.db2.gz CVFLPDJAJMBBQX-UHFFFAOYSA-N 0 0 349.364 2.916 10 5 EFBERN COc1cncc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1C ZINC000867210164 1294402534 /nfs/dbraw/zinc/40/25/34/1294402534.db2.gz LMEAMOGPXCUJRL-UHFFFAOYSA-N 0 0 327.340 2.818 10 5 EFBERN CCOC1CC2(C[C@H]2C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC000867210553 1294403508 /nfs/dbraw/zinc/40/35/08/1294403508.db2.gz ZBTVPBILYOKTBY-FVRSWCFKSA-N 0 0 330.384 2.998 10 5 EFBERN CC(C)(C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1O ZINC000867236333 1294550136 /nfs/dbraw/zinc/55/01/36/1294550136.db2.gz YTHDPNFWOOHFHW-TZMCWYRMSA-N 0 0 338.379 2.532 10 5 EFBERN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1cccnc1 ZINC000096920579 1294590054 /nfs/dbraw/zinc/59/00/54/1294590054.db2.gz DLVYUOMYRUFHAF-ARJAWSKDSA-N 0 0 327.296 2.508 10 5 EFBERN O=C(NC[C@]12C[C@H]1CCC2)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000885987956 1294608766 /nfs/dbraw/zinc/60/87/66/1294608766.db2.gz MGCLFKFIGAGIBR-DIFFPNOSSA-N 0 0 332.356 2.676 10 5 EFBERN Cn1cc(C(=O)NC[C@]23C[C@H]2CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000886004321 1294615238 /nfs/dbraw/zinc/61/52/38/1294615238.db2.gz BXZHZMGBLZEVEP-ACJLOTCBSA-N 0 0 340.383 2.915 10 5 EFBERN C[C@@H](NCc1nc2ccccc2c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC001197646580 1294641699 /nfs/dbraw/zinc/64/16/99/1294641699.db2.gz HEQYWPZUCRJKSC-GFCCVEGCSA-N 0 0 338.367 2.693 10 5 EFBERN Cc1cc(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000803759380 1313104075 /nfs/dbraw/zinc/10/40/75/1313104075.db2.gz MVCYMBZFNPOLFW-UHFFFAOYSA-N 0 0 334.353 2.785 10 5 EFBERN Cc1cccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c1[N+](=O)[O-] ZINC000886704045 1295109814 /nfs/dbraw/zinc/10/98/14/1295109814.db2.gz RDRPCHBQGBYOMD-CVEARBPZSA-N 0 0 326.352 2.681 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c1C ZINC000886715052 1295117560 /nfs/dbraw/zinc/11/75/60/1295117560.db2.gz BIPBMEUCUWHXIE-AEFFLSMTSA-N 0 0 340.379 2.990 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N2CCC(O)(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC001198675986 1295196073 /nfs/dbraw/zinc/19/60/73/1295196073.db2.gz BYCVATHPIYSMHS-AWEZNQCLSA-N 0 0 349.431 2.713 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1CN[C@H](CO)c1cc(F)ccc1F ZINC001198686243 1295202079 /nfs/dbraw/zinc/20/20/79/1295202079.db2.gz SCNMSHUEDTUIPF-CQSZACIVSA-N 0 0 326.274 2.835 10 5 EFBERN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(C2CC2)CC1 ZINC001691713621 1295235743 /nfs/dbraw/zinc/23/57/43/1295235743.db2.gz SVEYCMZBJBZMRX-AKAXFMLLSA-N 0 0 343.427 2.769 10 5 EFBERN O=C1OC(c2cccs2)=N/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000005870539 1295512039 /nfs/dbraw/zinc/51/20/39/1295512039.db2.gz YVRNNUCEXMUCML-WTKPLQERSA-N 0 0 344.304 2.730 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC001234583405 1313162258 /nfs/dbraw/zinc/16/22/58/1313162258.db2.gz WNZQBKMIFCOHGA-MRXNPFEDSA-N 0 0 349.431 2.891 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000867328009 1295686338 /nfs/dbraw/zinc/68/63/38/1295686338.db2.gz BBEXTFHRGRKRBY-AWEZNQCLSA-N 0 0 343.358 2.763 10 5 EFBERN CCO[C@]12CCC[C@@]1(NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000889804302 1295830673 /nfs/dbraw/zinc/83/06/73/1295830673.db2.gz KEJNRQZPTFSRQV-VHSSKADRSA-N 0 0 348.399 2.890 10 5 EFBERN Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000867336094 1295924237 /nfs/dbraw/zinc/92/42/37/1295924237.db2.gz WVVGKMBESJIBHN-WFASDCNBSA-N 0 0 347.415 2.557 10 5 EFBERN Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000867336060 1295924990 /nfs/dbraw/zinc/92/49/90/1295924990.db2.gz WVVGKMBESJIBHN-DOMZBBRYSA-N 0 0 347.415 2.557 10 5 EFBERN C[C@@H](OC(=O)COc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000803846952 1313244434 /nfs/dbraw/zinc/24/44/34/1313244434.db2.gz MJXXZNUCXAKWDI-GFCCVEGCSA-N 0 0 331.324 2.770 10 5 EFBERN Cc1ccc([C@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)C(C)(C)C)cc1 ZINC000776152267 1296712563 /nfs/dbraw/zinc/71/25/63/1296712563.db2.gz DWDZIQXXBMQXJC-AWEZNQCLSA-N 0 0 332.360 2.825 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccnn1C1CCC1 ZINC000923873529 1296733112 /nfs/dbraw/zinc/73/31/12/1296733112.db2.gz IXLOIXBEGYKPFS-UHFFFAOYSA-N 0 0 331.328 2.882 10 5 EFBERN O=C(C[C@H]1CC[C@@H](C2CC2)O1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000924358060 1296760605 /nfs/dbraw/zinc/76/06/05/1296760605.db2.gz PJKSABTYFGESQQ-ZBFHGGJFSA-N 0 0 333.340 2.668 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@H](O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000121585899 1296858579 /nfs/dbraw/zinc/85/85/79/1296858579.db2.gz UGCKUEVCSWMVEX-MRXNPFEDSA-N 0 0 344.367 2.765 10 5 EFBERN CC(C)C(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000926881954 1296969871 /nfs/dbraw/zinc/96/98/71/1296969871.db2.gz HKULYKLZCKYUMD-HNNXBMFYSA-N 0 0 329.356 2.630 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000927584297 1297033616 /nfs/dbraw/zinc/03/36/16/1297033616.db2.gz ATMLQFBZWZYZEO-PZYYDSKJSA-N 0 0 344.289 2.834 10 5 EFBERN C[C@@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000928247291 1297086780 /nfs/dbraw/zinc/08/67/80/1297086780.db2.gz UNGOWZQXCIXELQ-XVSDVWIESA-N 0 0 340.379 2.865 10 5 EFBERN CC(C)[C@H](NCC(F)(F)F)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928246932 1297086988 /nfs/dbraw/zinc/08/69/88/1297086988.db2.gz MXPROSMTOBOQKX-MFKMUULPSA-N 0 0 347.337 2.949 10 5 EFBERN CCO[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000928246667 1297087234 /nfs/dbraw/zinc/08/72/34/1297087234.db2.gz IOLQRRGFEGPRBQ-MLGOLLRUSA-N 0 0 336.388 2.604 10 5 EFBERN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000928385642 1297095904 /nfs/dbraw/zinc/09/59/04/1297095904.db2.gz MSPJIGGSQCMKPL-TZMCWYRMSA-N 0 0 328.372 2.737 10 5 EFBERN CC(C)=CC[C@H]1NC(=O)N(C[C@H](C)c2ccccc2[N+](=O)[O-])C1=O ZINC000929003525 1297151020 /nfs/dbraw/zinc/15/10/20/1297151020.db2.gz SFNPTLMURMZXOO-GXTWGEPZSA-N 0 0 331.372 2.975 10 5 EFBERN O=C(NCC[C@H](NC1CC1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000929116794 1297160739 /nfs/dbraw/zinc/16/07/39/1297160739.db2.gz WXCKCKXBRXSNPJ-LBPRGKRZSA-N 0 0 346.309 2.789 10 5 EFBERN O=[N+]([O-])c1ccc([C@H](O)CN2CCc3ccc(F)c(F)c3C2)cc1 ZINC000776278482 1297350797 /nfs/dbraw/zinc/35/07/97/1297350797.db2.gz TYLDQDLMHDJIDV-MRXNPFEDSA-N 0 0 334.322 2.965 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000931810488 1297368526 /nfs/dbraw/zinc/36/85/26/1297368526.db2.gz NOEAJDTZXWGKFJ-GFCCVEGCSA-N 0 0 330.388 2.582 10 5 EFBERN COc1cc(COC(=O)CCn2cc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000778783587 1297717075 /nfs/dbraw/zinc/71/70/75/1297717075.db2.gz MCXBPLYXYRISAC-UHFFFAOYSA-N 0 0 339.735 2.587 10 5 EFBERN CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccsc1 ZINC001278044565 1313574602 /nfs/dbraw/zinc/57/46/02/1313574602.db2.gz QUZOEMGUALZJFI-AWEZNQCLSA-N 0 0 331.353 2.812 10 5 EFBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)C[C@@H]2C)c1 ZINC000779898259 1299121225 /nfs/dbraw/zinc/12/12/25/1299121225.db2.gz GVGMQJYLYDKONG-ZJUUUORDSA-N 0 0 332.809 2.976 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)[C@@H]2C1 ZINC000888472421 1299188246 /nfs/dbraw/zinc/18/82/46/1299188246.db2.gz DSCZWZVRAZGDLX-GBOPCIDUSA-N 0 0 346.383 2.529 10 5 EFBERN Cc1noc(CN2CCC(O)(c3cccc(C)c3C)CC2)c1[N+](=O)[O-] ZINC000851784697 1299395044 /nfs/dbraw/zinc/39/50/44/1299395044.db2.gz MQQBRYNIIQEPHH-UHFFFAOYSA-N 0 0 345.399 2.992 10 5 EFBERN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC001278076669 1313624109 /nfs/dbraw/zinc/62/41/09/1313624109.db2.gz XHDHWWKUMBRFLR-QWHCGFSZSA-N 0 0 341.323 2.519 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])NCCC1SCCS1 ZINC000852148213 1299565761 /nfs/dbraw/zinc/56/57/61/1299565761.db2.gz QSWPWCBKBUYNNL-UHFFFAOYSA-N 0 0 341.458 2.633 10 5 EFBERN CCn1ncc(CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1 ZINC000852172227 1299577159 /nfs/dbraw/zinc/57/71/59/1299577159.db2.gz GRBLWFAGPNZYEE-LBPRGKRZSA-N 0 0 347.272 2.739 10 5 EFBERN O=[N+]([O-])c1ccc([C@H](O)CN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000776585988 1299651453 /nfs/dbraw/zinc/65/14/53/1299651453.db2.gz GLRXHNBAJWTKDF-HUUCEWRRSA-N 0 0 334.397 2.763 10 5 EFBERN O=[N+]([O-])c1ccc([C@@H](O)CN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000776585989 1299651502 /nfs/dbraw/zinc/65/15/02/1299651502.db2.gz GLRXHNBAJWTKDF-LSDHHAIUSA-N 0 0 334.397 2.763 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000852359143 1299674566 /nfs/dbraw/zinc/67/45/66/1299674566.db2.gz MVPBSBAVOMPZGZ-FZMZJTMJSA-N 0 0 349.387 2.544 10 5 EFBERN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000852742453 1299853025 /nfs/dbraw/zinc/85/30/25/1299853025.db2.gz SSHBWMDTKFNJDP-DDTOSNHZSA-N 0 0 348.321 2.670 10 5 EFBERN O=[N+]([O-])c1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC000852758328 1299867332 /nfs/dbraw/zinc/86/73/32/1299867332.db2.gz DLAOHFANJMRYRZ-CALCHBBNSA-N 0 0 347.371 2.896 10 5 EFBERN Cc1nn(Cc2ccc([N+](=O)[O-])cc2F)c(C)c1[C@@H]1COCCN1C ZINC000852962016 1299948081 /nfs/dbraw/zinc/94/80/81/1299948081.db2.gz AXLLBMFQLZZICW-INIZCTEOSA-N 0 0 348.378 2.599 10 5 EFBERN Cc1nn(Cc2ccc([N+](=O)[O-])cc2F)c(C)c1[C@H]1COCCN1C ZINC000852962019 1299948389 /nfs/dbraw/zinc/94/83/89/1299948389.db2.gz AXLLBMFQLZZICW-MRXNPFEDSA-N 0 0 348.378 2.599 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000779936739 1299971538 /nfs/dbraw/zinc/97/15/38/1299971538.db2.gz PFZVNLYTMXKPKG-GQCTYLIASA-N 0 0 334.357 2.553 10 5 EFBERN CCOC(=O)Cc1csc(SCc2onc(C)c2[N+](=O)[O-])n1 ZINC000853012661 1299971421 /nfs/dbraw/zinc/97/14/21/1299971421.db2.gz FHSWZZZJTZFKRF-UHFFFAOYSA-N 0 0 343.386 2.746 10 5 EFBERN COC(=O)/C=C\c1ccc(OCc2onc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000853016100 1299972585 /nfs/dbraw/zinc/97/25/85/1299972585.db2.gz NWCVIFXPYDPXPJ-ALCCZGGFSA-N 0 0 348.311 2.665 10 5 EFBERN CC(C)C(=O)N1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853089350 1300004652 /nfs/dbraw/zinc/00/46/52/1300004652.db2.gz QYPQWXSVEFIRRB-UHFFFAOYSA-N 0 0 327.331 2.837 10 5 EFBERN Cc1ccc(N2CCCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853214120 1300045123 /nfs/dbraw/zinc/04/51/23/1300045123.db2.gz FKGYTUOQVOPZIB-UHFFFAOYSA-N 0 0 328.372 2.721 10 5 EFBERN O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000779949105 1300064296 /nfs/dbraw/zinc/06/42/96/1300064296.db2.gz UTSBECGRIQEDFK-RBSFLKMASA-N 0 0 344.323 2.718 10 5 EFBERN COc1cc(N2CCC[C@H](C3OCCO3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000853254444 1300070266 /nfs/dbraw/zinc/07/02/66/1300070266.db2.gz YUTYMISZZXFWQD-JTQLQIEISA-N 0 0 342.779 2.846 10 5 EFBERN CCCOC(=O)CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000853293814 1300077676 /nfs/dbraw/zinc/07/76/76/1300077676.db2.gz SUVKABDFURFYNQ-UHFFFAOYSA-N 0 0 344.751 2.790 10 5 EFBERN COc1cc(N2CCCC3(C2)OCCO3)c(Cl)cc1[N+](=O)[O-] ZINC000853451960 1300118129 /nfs/dbraw/zinc/11/81/29/1300118129.db2.gz DZTNWVLUFNBBAG-UHFFFAOYSA-N 0 0 328.752 2.600 10 5 EFBERN O=C1OCC[C@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CCN12 ZINC000853462756 1300124878 /nfs/dbraw/zinc/12/48/78/1300124878.db2.gz DRKCRCQWVRPUCJ-JTQLQIEISA-N 0 0 345.277 2.645 10 5 EFBERN Cc1nc2c(s1)[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)CCC2 ZINC000853473171 1300126275 /nfs/dbraw/zinc/12/62/75/1300126275.db2.gz NDZPWVBGVDFWOQ-GFCCVEGCSA-N 0 0 332.385 2.948 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Oc2ccc(Oc3nccs3)cc2)n1 ZINC000779976102 1300131509 /nfs/dbraw/zinc/13/15/09/1300131509.db2.gz HXGIYMUFFTWNBS-UHFFFAOYSA-N 0 0 346.324 2.796 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC(c2ccco2)CC1 ZINC000853526920 1300147620 /nfs/dbraw/zinc/14/76/20/1300147620.db2.gz CUXOJBGQOVBZBV-UHFFFAOYSA-N 0 0 343.339 2.933 10 5 EFBERN C[C@@]1(C2CC2)CN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCO1 ZINC000853527413 1300148062 /nfs/dbraw/zinc/14/80/62/1300148062.db2.gz BHIKTFDVKRAUNE-SFHVURJKSA-N 0 0 342.399 2.917 10 5 EFBERN Cc1ccccc1[C@H](O)C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000853618008 1300195015 /nfs/dbraw/zinc/19/50/15/1300195015.db2.gz BFAFXSXGXYVHGH-QGZVFWFLSA-N 0 0 343.383 2.954 10 5 EFBERN 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C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CS1(=O)=O ZINC000865942417 1303462844 /nfs/dbraw/zinc/46/28/44/1303462844.db2.gz SVLHZRPVRJTJKH-RKDXNWHRSA-N 0 0 334.344 2.910 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000865942061 1303462877 /nfs/dbraw/zinc/46/28/77/1303462877.db2.gz OJCJXFJAZXQCFR-NXEZZACHSA-N 0 0 342.277 2.937 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(N2C[C@]34COC[C@@]3(C2)CCCC4)cc1F ZINC000865954987 1303467867 /nfs/dbraw/zinc/46/78/67/1303467867.db2.gz HAJPJNZMIRDFTQ-CALCHBBNSA-N 0 0 336.363 2.623 10 5 EFBERN COc1nc(C)cc(C)c1CN(C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865961538 1303471764 /nfs/dbraw/zinc/47/17/64/1303471764.db2.gz HIVRZZPHQFUIDZ-UHFFFAOYSA-N 0 0 349.362 2.883 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C2(C)OCCO2)cc1 ZINC000866006757 1303485958 /nfs/dbraw/zinc/48/59/58/1303485958.db2.gz AOJKRYLULSSYDD-UHFFFAOYSA-N 0 0 346.387 2.951 10 5 EFBERN CCC[C@@H](O)CCCSc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000866033120 1303497032 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337.379 2.895 10 5 EFBERN CNC(=O)c1ccc(NC[C@H]2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000866173897 1303550248 /nfs/dbraw/zinc/55/02/48/1303550248.db2.gz BQRDKMHJVYKXGE-CYBMUJFWSA-N 0 0 333.388 2.573 10 5 EFBERN O=[N+]([O-])c1ccc2nccc(NC[C@@H]3CC4(CO3)CCOCC4)c2c1 ZINC000866174204 1303551044 /nfs/dbraw/zinc/55/10/44/1303551044.db2.gz JTLFRXOIQUXGIZ-AWEZNQCLSA-N 0 0 343.383 2.563 10 5 EFBERN COc1cc(NC[C@@H]2CC3(CO2)CCOCC3)c([N+](=O)[O-])cc1F ZINC000866177045 1303553116 /nfs/dbraw/zinc/55/31/16/1303553116.db2.gz VCCAHJMHPCKYGS-NSHDSACASA-N 0 0 340.351 2.740 10 5 EFBERN CCCc1cc(NCc2ccc(C)c([N+](=O)[O-])c2)n2ncnc2n1 ZINC000866185158 1303555017 /nfs/dbraw/zinc/55/50/17/1303555017.db2.gz ZICMFXRAIRGPLK-UHFFFAOYSA-N 0 0 326.360 2.906 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCCc1cn(C)c2ncccc12 ZINC000866196027 1303561055 /nfs/dbraw/zinc/56/10/55/1303561055.db2.gz QZASRMJULNESIV-UHFFFAOYSA-N 0 0 328.376 2.661 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000866205583 1303562483 /nfs/dbraw/zinc/56/24/83/1303562483.db2.gz FXTLBHBTQPIVAJ-KGLIPLIRSA-N 0 0 349.456 2.922 10 5 EFBERN COc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CCO1 ZINC000866234076 1303573219 /nfs/dbraw/zinc/57/32/19/1303573219.db2.gz QAGYDEFEJXCMRT-OAHLLOKOSA-N 0 0 347.346 2.903 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000866234744 1303574630 /nfs/dbraw/zinc/57/46/30/1303574630.db2.gz PMORFZOBPRZOMN-HNNXBMFYSA-N 0 0 346.387 2.706 10 5 EFBERN COc1ccccc1[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000866235237 1303574912 /nfs/dbraw/zinc/57/49/12/1303574912.db2.gz ZNKGYYQVVSKJNQ-HNNXBMFYSA-N 0 0 333.319 2.715 10 5 EFBERN COc1ccc([C@@H]2CN(c3ccc([N+](=O)[O-])c(N)c3F)CCO2)cc1 ZINC000866235946 1303575754 /nfs/dbraw/zinc/57/57/54/1303575754.db2.gz POXHUCOIWSXKFO-HNNXBMFYSA-N 0 0 347.346 2.903 10 5 EFBERN COc1ccc([C@@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CCO2)cc1 ZINC000866235527 1303575773 /nfs/dbraw/zinc/57/57/73/1303575773.db2.gz FUVCPGGFMRERKM-KRWDZBQOSA-N 0 0 329.356 2.764 10 5 EFBERN CNC(=O)c1ccc(N2CCC[C@@H]2c2cncc(C)c2)c([N+](=O)[O-])c1 ZINC000866277826 1303588562 /nfs/dbraw/zinc/58/85/62/1303588562.db2.gz IQSFRLXPKBMJOP-OAHLLOKOSA-N 0 0 340.383 2.999 10 5 EFBERN COc1cc(N2CCN(C)c3ncccc3C2)c(F)cc1[N+](=O)[O-] ZINC000866293462 1303591912 /nfs/dbraw/zinc/59/19/12/1303591912.db2.gz PBVSTLXBVRIPAK-UHFFFAOYSA-N 0 0 332.335 2.594 10 5 EFBERN CC(C)(C)OCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000866618509 1303713350 /nfs/dbraw/zinc/71/33/50/1303713350.db2.gz DCQMBZREYDQMTN-UHFFFAOYSA-N 0 0 337.781 2.772 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC(CCF)CC2)cc([N+](=O)[O-])c1F ZINC000867601197 1303873876 /nfs/dbraw/zinc/87/38/76/1303873876.db2.gz JCXBICZPMCUIRZ-UHFFFAOYSA-N 0 0 348.371 2.803 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)[C@@H]1CCCCO1 ZINC000867684148 1303908449 /nfs/dbraw/zinc/90/84/49/1303908449.db2.gz JSJGFYRYOIAKLV-ZDUSSCGKSA-N 0 0 342.417 2.529 10 5 EFBERN Cc1ccc(CNS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000867785230 1303953560 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O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC=C(Br)C1 ZINC000868053431 1304097950 /nfs/dbraw/zinc/09/79/50/1304097950.db2.gz RYFFHTQMARANSL-UHFFFAOYSA-N 0 0 343.152 2.788 10 5 EFBERN Cc1nc(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000868084536 1304115330 /nfs/dbraw/zinc/11/53/30/1304115330.db2.gz AHYSTYOFQOQBDL-UHFFFAOYSA-N 0 0 334.401 2.710 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000868313301 1304237555 /nfs/dbraw/zinc/23/75/55/1304237555.db2.gz ZXSRGEJUZGRZDR-NUEKZKHPSA-N 0 0 347.415 2.906 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2CSC[C@@H]2C1 ZINC000868317941 1304239872 /nfs/dbraw/zinc/23/98/72/1304239872.db2.gz WCXMFUSBWSFGEH-KBPBESRZSA-N 0 0 335.429 2.532 10 5 EFBERN Cc1nc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000868324268 1304244330 /nfs/dbraw/zinc/24/43/30/1304244330.db2.gz JOBXMRLBTXEJRJ-UHFFFAOYSA-N 0 0 334.401 2.976 10 5 EFBERN CCO[C@H]1COCC[C@@H]1CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000868429852 1304291916 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FQQQKMZAYOCCGO-GOEBONIOSA-N 0 0 335.404 2.906 10 5 EFBERN Cc1ccc(CNC(=O)NC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000868501241 1304327493 /nfs/dbraw/zinc/32/74/93/1304327493.db2.gz GNJPMVVBAPRRAJ-UHFFFAOYSA-N 0 0 325.368 2.870 10 5 EFBERN CC(C)(NC(=O)/C=C/COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000868534651 1304343687 /nfs/dbraw/zinc/34/36/87/1304343687.db2.gz JKFZWQVBQHCHBL-VMPITWQZSA-N 0 0 348.399 2.698 10 5 EFBERN Cc1c(CNC(=O)N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)cccc1[N+](=O)[O-] ZINC000868534841 1304344236 /nfs/dbraw/zinc/34/42/36/1304344236.db2.gz LRPGYHQNVOPBPV-IMJJTQAJSA-N 0 0 347.415 2.594 10 5 EFBERN O=C(N1CCC[C@H](CO)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000868592495 1304371366 /nfs/dbraw/zinc/37/13/66/1304371366.db2.gz BKUPBKWUGNIFJK-AWEZNQCLSA-N 0 0 332.400 2.638 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]1C(F)F ZINC000868599940 1304375025 /nfs/dbraw/zinc/37/50/25/1304375025.db2.gz IPPUUKSXRKLXJG-CYBMUJFWSA-N 0 0 325.315 2.675 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]1C(F)F ZINC000868603204 1304375715 /nfs/dbraw/zinc/37/57/15/1304375715.db2.gz CEYTUNXQHHKIBD-VXNVDRBHSA-N 0 0 334.706 2.882 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000868609902 1304379811 /nfs/dbraw/zinc/37/98/11/1304379811.db2.gz ZYHKNAHEMMFALX-FPMFFAJLSA-N 0 0 334.372 2.751 10 5 EFBERN C[C@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000868609705 1304380233 /nfs/dbraw/zinc/38/02/33/1304380233.db2.gz YGZIIYVSKHBLBC-NEPJUHHUSA-N 0 0 328.372 2.865 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]1C1CC1 ZINC000868652046 1304400771 /nfs/dbraw/zinc/40/07/71/1304400771.db2.gz ZJIKXZWBPYBWEN-GFCCVEGCSA-N 0 0 339.189 2.911 10 5 EFBERN C[C@@]12CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000868663487 1304407302 /nfs/dbraw/zinc/40/73/02/1304407302.db2.gz NMXDADNMONKYTB-KEIZMWOVSA-N 0 0 330.359 2.947 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000868744387 1304450795 /nfs/dbraw/zinc/45/07/95/1304450795.db2.gz SZFXVKMUUDYQEQ-KRWDZBQOSA-N 0 0 347.415 2.908 10 5 EFBERN CCOC(CN(CC)C(=O)c1c(F)cccc1[N+](=O)[O-])OCC ZINC000868777909 1304470606 /nfs/dbraw/zinc/47/06/06/1304470606.db2.gz MNKOBRZQRKJSJP-UHFFFAOYSA-N 0 0 328.340 2.595 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCSC1 ZINC000868825708 1304494374 /nfs/dbraw/zinc/49/43/74/1304494374.db2.gz JLBZUQSBEBCREC-AWEZNQCLSA-N 0 0 337.445 2.922 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000868996966 1304568104 /nfs/dbraw/zinc/56/81/04/1304568104.db2.gz XQIYHCBLFJSLHK-WBVHZDCISA-N 0 0 347.415 2.908 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000869045143 1304588716 /nfs/dbraw/zinc/58/87/16/1304588716.db2.gz WBZHTOUCPUBAPC-HOTGVXAUSA-N 0 0 347.415 2.799 10 5 EFBERN Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000869053832 1304591783 /nfs/dbraw/zinc/59/17/83/1304591783.db2.gz VFDWDMYMDJGQLP-UHFFFAOYSA-N 0 0 333.388 2.758 10 5 EFBERN CO[C@H]1C[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000869054290 1304592442 /nfs/dbraw/zinc/59/24/42/1304592442.db2.gz IXYKAAVPRQGKLB-CABCVRRESA-N 0 0 333.388 2.660 10 5 EFBERN Cc1ccc(CNC(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000869054688 1304592473 /nfs/dbraw/zinc/59/24/73/1304592473.db2.gz NQQCUGFDBDQVEG-AWEZNQCLSA-N 0 0 325.315 2.844 10 5 EFBERN Cc1ccc(CNC(=O)N2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000869054021 1304592768 /nfs/dbraw/zinc/59/27/68/1304592768.db2.gz DQPKAPNXBWZZSR-MRXNPFEDSA-N 0 0 333.388 2.614 10 5 EFBERN Cc1ccc(CNC(=O)N2CC[C@@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000869053928 1304592845 /nfs/dbraw/zinc/59/28/45/1304592845.db2.gz YIWOFFIIUPSNOQ-OAHLLOKOSA-N 0 0 335.404 2.860 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000869056162 1304593400 /nfs/dbraw/zinc/59/34/00/1304593400.db2.gz YGSVTYGTMCTMMV-LSDHHAIUSA-N 0 0 333.388 2.518 10 5 EFBERN C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000869138592 1304629325 /nfs/dbraw/zinc/62/93/25/1304629325.db2.gz KTMJHXUQLSQVCP-KZULUSFZSA-N 0 0 346.358 2.689 10 5 EFBERN C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000869138593 1304629775 /nfs/dbraw/zinc/62/97/75/1304629775.db2.gz KTMJHXUQLSQVCP-SGTLLEGYSA-N 0 0 346.358 2.689 10 5 EFBERN COc1cc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000795065852 1304686812 /nfs/dbraw/zinc/68/68/12/1304686812.db2.gz DYADCSWHJCEIAM-NSHDSACASA-N 0 0 346.339 2.864 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]2C[C@H]2C1 ZINC000869282879 1304696398 /nfs/dbraw/zinc/69/63/98/1304696398.db2.gz GCLAVZTZQHQVMW-QWRGUYRKSA-N 0 0 339.189 2.768 10 5 EFBERN C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)C(C)(C)C ZINC000869370936 1304746706 /nfs/dbraw/zinc/74/67/06/1304746706.db2.gz NQYDMYAGVZRTTJ-SECBINFHSA-N 0 0 327.308 2.660 10 5 EFBERN Cc1nn(CCC(=O)OC[C@H]2CCC(C)(C)CO2)c(C)c1[N+](=O)[O-] ZINC000869378632 1304749556 /nfs/dbraw/zinc/74/95/56/1304749556.db2.gz KJMMAZNTKUVIGF-CYBMUJFWSA-N 0 0 339.392 2.547 10 5 EFBERN CC1(C)CCC[C@](CO)(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869421595 1304772544 /nfs/dbraw/zinc/77/25/44/1304772544.db2.gz UJDFMPIXCLIZCN-KRWDZBQOSA-N 0 0 338.379 2.724 10 5 EFBERN C/C(=C\C(=O)O[C@H]1CCN(C2CCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000869472845 1304799109 /nfs/dbraw/zinc/79/91/09/1304799109.db2.gz UXGSCKCBQIAZDS-PCUGXKRQSA-N 0 0 344.367 2.695 10 5 EFBERN C[C@H](C(=O)OC[C@@H]1CC2(CO1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000869488946 1304807787 /nfs/dbraw/zinc/80/77/87/1304807787.db2.gz DIPPUTKRGJUVMV-BBRMVZONSA-N 0 0 349.383 2.827 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@H]1CCN(C2CCC2)C1=O ZINC000869540732 1304837854 /nfs/dbraw/zinc/83/78/54/1304837854.db2.gz YWBRDIINJKFHNW-HNNXBMFYSA-N 0 0 332.356 2.522 10 5 EFBERN C[C@@H](OC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000869645726 1304897260 /nfs/dbraw/zinc/89/72/60/1304897260.db2.gz UPMWTBACYMQMNC-FXAINCCUSA-N 0 0 349.261 2.545 10 5 EFBERN O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(C2CCOCC2)cc1 ZINC000869668573 1304907661 /nfs/dbraw/zinc/90/76/61/1304907661.db2.gz GJHXPYIDZXABNV-UHFFFAOYSA-N 0 0 345.355 2.542 10 5 EFBERN O=C(CCc1ccc(C(F)F)cc1)OCCn1cc([N+](=O)[O-])cn1 ZINC000869668840 1304908824 /nfs/dbraw/zinc/90/88/24/1304908824.db2.gz GNIKPDZXTDUEJI-UHFFFAOYSA-N 0 0 339.298 2.905 10 5 EFBERN O=C(COC(=O)[C@]12C[C@H]1CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000869709311 1304925691 /nfs/dbraw/zinc/92/56/91/1304925691.db2.gz XGGONOCYQMNLBW-QLJPJBMISA-N 0 0 336.319 2.796 10 5 EFBERN O=C(COC(=O)[C@]12C[C@H]1CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000869709865 1304925878 /nfs/dbraw/zinc/92/58/78/1304925878.db2.gz YPEFDZGMDSUSPM-FZKQIMNGSA-N 0 0 344.367 2.607 10 5 EFBERN C[C@@H](OC(=O)C1(C(F)F)CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000869711809 1304927865 /nfs/dbraw/zinc/92/78/65/1304927865.db2.gz SIOGEROHODGZMZ-SECBINFHSA-N 0 0 342.298 2.900 10 5 EFBERN CC(C)(C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000869716312 1304930296 /nfs/dbraw/zinc/93/02/96/1304930296.db2.gz VYWHGFXWMXADAV-HNNXBMFYSA-N 0 0 335.356 2.916 10 5 EFBERN CC(C)C[C@@]1(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCNC1=O ZINC000869734107 1304942302 /nfs/dbraw/zinc/94/23/02/1304942302.db2.gz XOZVJVXDQPWEIG-SJCJKPOMSA-N 0 0 334.372 2.751 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1COC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000869798895 1304974467 /nfs/dbraw/zinc/97/44/67/1304974467.db2.gz MYJYPPZBUCBTEB-LSDHHAIUSA-N 0 0 335.356 2.709 10 5 EFBERN CCN(CC)C(=O)[C@H](C)OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810495 1304980653 /nfs/dbraw/zinc/98/06/53/1304980653.db2.gz HZNDVZAQJSEJBR-ZDUSSCGKSA-N 0 0 348.399 2.817 10 5 EFBERN O=C(OC[C@H]1CC2(CC2)C(=O)O1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810101 1304980752 /nfs/dbraw/zinc/98/07/52/1304980752.db2.gz DFRIDUOSPQVQAA-CQSZACIVSA-N 0 0 345.351 2.655 10 5 EFBERN CC(C)N(C)C(=O)[C@@H](C)OC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810961 1304981585 /nfs/dbraw/zinc/98/15/85/1304981585.db2.gz LVIPIAQDKRTQPU-CYBMUJFWSA-N 0 0 348.399 2.815 10 5 EFBERN CO[C@@H](COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCOC1 ZINC000869810592 1304981744 /nfs/dbraw/zinc/98/17/44/1304981744.db2.gz JVTUGBZRVYRUFO-BBRMVZONSA-N 0 0 349.383 2.611 10 5 EFBERN O=C(OCCC1OCCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811696 1304982017 /nfs/dbraw/zinc/98/20/17/1304982017.db2.gz UGWUFPLMTNXBQR-UHFFFAOYSA-N 0 0 335.356 2.713 10 5 EFBERN CC1(C)[C@H]2[C@H](CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1O ZINC000869830013 1304993475 /nfs/dbraw/zinc/99/34/75/1304993475.db2.gz ZXYJZRVBOSEOEC-XZJROXQQSA-N 0 0 343.383 2.698 10 5 EFBERN C[C@H]1CCn2cc(C(=O)OCCOc3cccc([N+](=O)[O-])c3)nc2C1 ZINC000869858297 1305008462 /nfs/dbraw/zinc/00/84/62/1305008462.db2.gz XNBPOYLCQVEZAB-LBPRGKRZSA-N 0 0 345.355 2.609 10 5 EFBERN C[C@H]1CCn2cc(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])nc2C1 ZINC000869857918 1305008646 /nfs/dbraw/zinc/00/86/46/1305008646.db2.gz QLHNMHVDBDQIAP-JTQLQIEISA-N 0 0 333.319 2.870 10 5 EFBERN C[C@H]1CCn2cc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)nc2C1 ZINC000869857941 1305008862 /nfs/dbraw/zinc/00/88/62/1305008862.db2.gz QUUQSOPXUJXOMT-LBPRGKRZSA-N 0 0 329.356 2.773 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000869858501 1305009035 /nfs/dbraw/zinc/00/90/35/1305009035.db2.gz BVXYTKPFFXVLKV-LLVKDONJSA-N 0 0 345.355 2.739 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000869891419 1305025039 /nfs/dbraw/zinc/02/50/39/1305025039.db2.gz KRLPCPDPVYGTTF-IGHBBLSQSA-N 0 0 332.356 2.677 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000869893691 1305026075 /nfs/dbraw/zinc/02/60/75/1305026075.db2.gz LUOLKZUVKXSJFX-GJQVQUKXSA-N 0 0 332.356 2.677 10 5 EFBERN CCOC1CC2(C[C@@H]2C(=O)OCCOc2cccc([N+](=O)[O-])c2)C1 ZINC000869933122 1305045291 /nfs/dbraw/zinc/04/52/91/1305045291.db2.gz SZCVMFNVAJPMRN-ISXOHVOVSA-N 0 0 335.356 2.722 10 5 EFBERN CCO[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000869947363 1305051182 /nfs/dbraw/zinc/05/11/82/1305051182.db2.gz SKCPNBLDRCKVCU-RISCZKNCSA-N 0 0 343.763 2.733 10 5 EFBERN CCO[C@@H]1COCC[C@H]1CC(=O)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC000869956515 1305056599 /nfs/dbraw/zinc/05/65/99/1305056599.db2.gz RSCPLKGOQIBNPL-GOEBONIOSA-N 0 0 337.372 2.778 10 5 EFBERN CCO[C@H]1COCC[C@H]1CC(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000869959346 1305058796 /nfs/dbraw/zinc/05/87/96/1305058796.db2.gz LVIGWAVHGMTYLY-BBRMVZONSA-N 0 0 337.372 2.778 10 5 EFBERN CCO[C@@H]1COCC[C@H]1CC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000869962086 1305059638 /nfs/dbraw/zinc/05/96/38/1305059638.db2.gz ZBENERPQSSSPSZ-XHDPSFHLSA-N 0 0 341.335 2.609 10 5 EFBERN O=C(/C=C\COC1CCOCC1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000870038374 1305100399 /nfs/dbraw/zinc/10/03/99/1305100399.db2.gz IWDIGUPNJSEGGE-UPHRSURJSA-N 0 0 339.319 2.529 10 5 EFBERN O=C(/C=C/COC1CCOCC1)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000870040867 1305100771 /nfs/dbraw/zinc/10/07/71/1305100771.db2.gz DYAPOOGCUJXEPX-OWOJBTEDSA-N 0 0 339.319 2.529 10 5 EFBERN C[C@H](OC(=O)/C=C/COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000870040849 1305101231 /nfs/dbraw/zinc/10/12/31/1305101231.db2.gz DSUGIBGNIRSZBJ-LVDDQXARSA-N 0 0 335.356 2.951 10 5 EFBERN O=C(/C=C\COC1CCOCC1)OCc1ccc([N+](=O)[O-])cc1F ZINC000870040508 1305101366 /nfs/dbraw/zinc/10/13/66/1305101366.db2.gz ZORDCIZZRGONOL-UPHRSURJSA-N 0 0 339.319 2.529 10 5 EFBERN Cc1ccc(COC(=O)/C=C/COC2CCOCC2)cc1[N+](=O)[O-] ZINC000870042529 1305101663 /nfs/dbraw/zinc/10/16/63/1305101663.db2.gz XDZTXOPJPLBMCR-NSCUHMNNSA-N 0 0 335.356 2.698 10 5 EFBERN Cc1scc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1C ZINC000870295295 1305247097 /nfs/dbraw/zinc/24/70/97/1305247097.db2.gz OOCNIHYYBLJILS-UHFFFAOYSA-N 0 0 344.396 2.939 10 5 EFBERN Cc1cncc(CCOC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000870449956 1305326258 /nfs/dbraw/zinc/32/62/58/1305326258.db2.gz FNPRBUAFPSDWBY-UHFFFAOYSA-N 0 0 341.367 2.901 10 5 EFBERN C[C@H]([C@H](OC(=O)[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000870453632 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341.367 2.844 10 5 EFBERN CN(Cc1nccn1Cc1ccccc1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001162644444 1312141572 /nfs/dbraw/zinc/14/15/72/1312141572.db2.gz MMVUIXMXIZBQOU-UHFFFAOYSA-N 0 0 339.355 2.577 10 5 EFBERN CC(C)N1C(=O)CN(c2ncc([N+](=O)[O-])c3ccccc32)CC1(C)C ZINC001162644206 1312141861 /nfs/dbraw/zinc/14/18/61/1312141861.db2.gz HGZZSBRHQPGRQL-UHFFFAOYSA-N 0 0 342.399 2.979 10 5 EFBERN C[C@H]1CC(C)(C)CC[C@@H]1Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001162693787 1312152866 /nfs/dbraw/zinc/15/28/66/1312152866.db2.gz RVTQMRIQKLYXOH-STQMWFEESA-N 0 0 349.435 2.848 10 5 EFBERN CCn1c(Sc2cnccn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001162755835 1312168395 /nfs/dbraw/zinc/16/83/95/1312168395.db2.gz QTXROLNGJUESHQ-UHFFFAOYSA-N 0 0 328.357 2.814 10 5 EFBERN O=C(NC[C@H]1CC[C@@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000902872090 1312169735 /nfs/dbraw/zinc/16/97/35/1312169735.db2.gz CNHMMGQNICQOLJ-MNOVXSKESA-N 0 0 333.266 2.826 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1noc(C(F)(F)F)n1 ZINC001162787042 1312176350 /nfs/dbraw/zinc/17/63/50/1312176350.db2.gz BZQAKEPOWQIMPK-SSDOTTSWSA-N 0 0 344.249 2.796 10 5 EFBERN C[C@@H](C[C@@H]1CCOC1)Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001162791372 1312177232 /nfs/dbraw/zinc/17/72/32/1312177232.db2.gz BJSSUMDUFJWUSS-QWRGUYRKSA-N 0 0 346.343 2.700 10 5 EFBERN Cc1cc(C[C@H](C)Nc2nn(C)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC001162855339 1312190972 /nfs/dbraw/zinc/19/09/72/1312190972.db2.gz GRNJXPCNTSLPSZ-LBPRGKRZSA-N 0 0 340.387 2.866 10 5 EFBERN C[C@H](CC1CCOCC1)OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000803016656 1312206581 /nfs/dbraw/zinc/20/65/81/1312206581.db2.gz WZXUGCVFYNSCPL-CYBMUJFWSA-N 0 0 336.388 2.779 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC[C@H]1C1CCC1 ZINC001162955320 1312210883 /nfs/dbraw/zinc/21/08/83/1312210883.db2.gz ZDHNMUKAEHZKHR-HNNXBMFYSA-N 0 0 338.791 2.818 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](CCO)c1ccccc1F ZINC001163033285 1312230023 /nfs/dbraw/zinc/23/00/23/1312230023.db2.gz MPNQMMBBCPHSBD-JEJOPICUSA-N 0 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/nfs/dbraw/zinc/30/97/62/1312309762.db2.gz IMXXHTKYRGVLEZ-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN NC(=O)N1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC001163428092 1312310784 /nfs/dbraw/zinc/31/07/84/1312310784.db2.gz RUSVQKPNRSVDOB-VIFPVBQESA-N 0 0 328.319 2.735 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001163457160 1312316585 /nfs/dbraw/zinc/31/65/85/1312316585.db2.gz XWINAUQUTNNSPL-OLZOCXBDSA-N 0 0 337.326 2.578 10 5 EFBERN COc1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1SC ZINC001163472464 1312320011 /nfs/dbraw/zinc/32/00/11/1312320011.db2.gz IKKXNXYPTKRIQM-UHFFFAOYSA-N 0 0 334.357 2.563 10 5 EFBERN COC(=O)C1(C)CN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001163566364 1312339353 /nfs/dbraw/zinc/33/93/53/1312339353.db2.gz YHXVYFPAZGUETA-UHFFFAOYSA-N 0 0 332.278 2.921 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)Cc1c[nH]nc1C ZINC001163570879 1312340102 /nfs/dbraw/zinc/34/01/02/1312340102.db2.gz BOIVNDVPFPWMLI-UHFFFAOYSA-N 0 0 338.751 2.703 10 5 EFBERN O=[N+]([O-])c1c(N[C@H](CCO)c2ccccc2F)nc2ccccn21 ZINC001163577198 1312340826 /nfs/dbraw/zinc/34/08/26/1312340826.db2.gz JUVKLYLCRUTSPL-CYBMUJFWSA-N 0 0 330.319 2.917 10 5 EFBERN C[C@@H](O)[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1F ZINC001163656304 1312355537 /nfs/dbraw/zinc/35/55/37/1312355537.db2.gz CRMORPOHBDBEPQ-LDYMZIIASA-N 0 0 336.348 2.977 10 5 EFBERN C[C@@H](O)[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1F ZINC001163656302 1312355675 /nfs/dbraw/zinc/35/56/75/1312355675.db2.gz CRMORPOHBDBEPQ-KCJUWKMLSA-N 0 0 336.348 2.977 10 5 EFBERN COc1c(C(=O)N2NC(=O)CC23CCCCCC3)cccc1[N+](=O)[O-] ZINC001163671209 1312359715 /nfs/dbraw/zinc/35/97/15/1312359715.db2.gz YLNLXWQHXZSIIX-UHFFFAOYSA-N 0 0 347.371 2.574 10 5 EFBERN COC[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccc(OC)c1 ZINC001163681000 1312362331 /nfs/dbraw/zinc/36/23/31/1312362331.db2.gz AVSYUVCGTUDMAT-OAHLLOKOSA-N 0 0 345.355 2.502 10 5 EFBERN CN1c2ccccc2C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1=O ZINC001163704462 1312367990 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Cc1cc(NCCc2ccns2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164007831 1312426109 /nfs/dbraw/zinc/42/61/09/1312426109.db2.gz HMPRDRGBZBNXKH-UHFFFAOYSA-N 0 0 341.396 2.893 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[C@H]2CCCS2(=O)=O)c2ccncc21 ZINC001164022704 1312430507 /nfs/dbraw/zinc/43/05/07/1312430507.db2.gz UXASRNDZYUUYLK-LLVKDONJSA-N 0 0 335.385 2.522 10 5 EFBERN CC[C@H]1COCCN1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164077638 1312442383 /nfs/dbraw/zinc/44/23/83/1312442383.db2.gz QIKSHQRKAWNBMW-NSHDSACASA-N 0 0 336.417 2.727 10 5 EFBERN NC(=O)c1cc(N[C@H]2c3ccccc3OC[C@H]2F)ccc1[N+](=O)[O-] ZINC001164114816 1312450534 /nfs/dbraw/zinc/45/05/34/1312450534.db2.gz UOZRDBNKVHMBBS-DOMZBBRYSA-N 0 0 331.303 2.577 10 5 EFBERN Cc1cc(=O)[nH]c(N2CCC[C@@H](Nc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC001164131662 1312453697 /nfs/dbraw/zinc/45/36/97/1312453697.db2.gz VXUXUPJFMCDIJM-LLVKDONJSA-N 0 0 347.350 2.619 10 5 EFBERN C[C@@H]1OC[C@]2(CC[C@@H](CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)O2)[C@H]1C ZINC001164170677 1312460869 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EFBERN CCOC(=O)c1ccc(NCCNc2ccsc2[N+](=O)[O-])nc1 ZINC001164288882 1312485995 /nfs/dbraw/zinc/48/59/95/1312485995.db2.gz VIWJJWGCNFMDJM-UHFFFAOYSA-N 0 0 336.373 2.752 10 5 EFBERN CCOc1cccc(N2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC001164289047 1312486087 /nfs/dbraw/zinc/48/60/87/1312486087.db2.gz ZJOUIOXFDPSDCM-UHFFFAOYSA-N 0 0 343.387 2.864 10 5 EFBERN CC[C@H](NC(=O)N(C)Cc1cccc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001231411802 1312492864 /nfs/dbraw/zinc/49/28/64/1312492864.db2.gz BVKLQHDZPYJKOD-HNNXBMFYSA-N 0 0 344.371 2.988 10 5 EFBERN COC(=O)c1ccc2cc(CCNc3nn(C)cc3[N+](=O)[O-])oc2c1 ZINC001164341288 1312495338 /nfs/dbraw/zinc/49/53/38/1312495338.db2.gz DZJBFXOQAVDSPK-UHFFFAOYSA-N 0 0 344.327 2.516 10 5 EFBERN COC(=O)C1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001164358422 1312499460 /nfs/dbraw/zinc/49/94/60/1312499460.db2.gz KKXLZFUPSSSNIS-UHFFFAOYSA-N 0 0 338.669 2.876 10 5 EFBERN Cc1nn(CCC(=O)OC[C@H]2Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000803332146 1312519333 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COC(=O)Cc1cccc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001289785716 1321827502 /nfs/dbraw/zinc/82/75/02/1321827502.db2.gz IMLNMFLIOOEHKF-UHFFFAOYSA-N 0 0 328.324 2.871 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3occc(=O)c3c2)n1 ZINC001289865828 1321831684 /nfs/dbraw/zinc/83/16/84/1321831684.db2.gz CORNDGOFEPNYPE-UHFFFAOYSA-N 0 0 325.280 2.657 10 5 EFBERN O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cn1 ZINC001289926519 1321837716 /nfs/dbraw/zinc/83/77/16/1321837716.db2.gz HHZOOMHEIFXCOJ-UHFFFAOYSA-N 0 0 335.703 2.667 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)[nH]n1 ZINC001290161286 1321881969 /nfs/dbraw/zinc/88/19/69/1321881969.db2.gz QPZPWOXWGQSWSV-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCOCc1ccccc1 ZINC001290326288 1321898026 /nfs/dbraw/zinc/89/80/26/1321898026.db2.gz AHOXTUCIBNPFHI-UHFFFAOYSA-N 0 0 329.356 2.514 10 5 EFBERN CC1(c2cc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)no2)CCCC1 ZINC001306832670 1321899243 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EFBERN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC001293936481 1322382922 /nfs/dbraw/zinc/38/29/22/1322382922.db2.gz AFNKRPWMMPIVAZ-VXGBXAGGSA-N 0 0 329.356 2.636 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1C[C@H](O)C12CCC2 ZINC001307169779 1322407637 /nfs/dbraw/zinc/40/76/37/1322407637.db2.gz UWSWFAFHXNDDHW-STQMWFEESA-N 0 0 333.775 2.934 10 5 EFBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)CC ZINC001294424961 1322480183 /nfs/dbraw/zinc/48/01/83/1322480183.db2.gz CSHCXTLTTLVJJH-KRWDZBQOSA-N 0 0 347.419 2.861 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC001294641975 1322539410 /nfs/dbraw/zinc/53/94/10/1322539410.db2.gz GLKQBTWOPCZAGE-LLVKDONJSA-N 0 0 330.344 2.524 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H](O)c1ccsc1 ZINC001294711317 1322546565 /nfs/dbraw/zinc/54/65/65/1322546565.db2.gz CSZMJTAHQLCCJH-CYBMUJFWSA-N 0 0 340.788 2.702 10 5 EFBERN O=C(N[C@H]1C=CCCC1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC001294731585 1322549584 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CC(=O)Nc1ncccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001295467909 1322706121 /nfs/dbraw/zinc/70/61/21/1322706121.db2.gz KVUMWEGQLSZINM-UHFFFAOYSA-N 0 0 346.318 2.659 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001307196593 1322723137 /nfs/dbraw/zinc/72/31/37/1322723137.db2.gz WZVLBBVWSMRWAW-LLVKDONJSA-N 0 0 339.396 2.530 10 5 EFBERN COc1cccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1O ZINC001295664892 1322745721 /nfs/dbraw/zinc/74/57/21/1322745721.db2.gz CIWDCAPWNRVRSH-UHFFFAOYSA-N 0 0 336.275 2.709 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC001295731731 1322762913 /nfs/dbraw/zinc/76/29/13/1322762913.db2.gz WVEVOJWGOCCOOX-GOEBONIOSA-N 0 0 345.399 2.945 10 5 EFBERN COc1ccc2c(c1)[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])CCC2 ZINC001295855676 1322794752 /nfs/dbraw/zinc/79/47/52/1322794752.db2.gz IKOOIKWDNCGIKH-OAHLLOKOSA-N 0 0 341.367 2.993 10 5 EFBERN CN(CCN(C)C(=O)/C=C/c1ccc[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001319991098 1329051683 /nfs/dbraw/zinc/05/16/83/1329051683.db2.gz FOSUEPOMISRKKI-AATRIKPKSA-N 0 0 348.428 2.588 10 5 EFBERN CN(CCN(C)C(=O)C1CC(F)(F)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001319990819 1329051970 /nfs/dbraw/zinc/05/19/70/1329051970.db2.gz WEWULUQMFOXMAV-UHFFFAOYSA-N 0 0 341.358 2.530 10 5 EFBERN CN(CCN(C)C(=O)C1(C(F)F)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001319999340 1329053410 /nfs/dbraw/zinc/05/34/10/1329053410.db2.gz FBCVCFSFDLEHCF-UHFFFAOYSA-N 0 0 341.358 2.530 10 5 EFBERN CC(C)OC1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001296445598 1322916700 /nfs/dbraw/zinc/91/67/00/1322916700.db2.gz YGRWFGSXSJEAEX-UHFFFAOYSA-N 0 0 334.372 2.532 10 5 EFBERN COC(=O)c1cnc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)s1 ZINC001307211139 1322930008 /nfs/dbraw/zinc/93/00/08/1322930008.db2.gz OIPDKEGFRAUTBN-UHFFFAOYSA-N 0 0 348.384 2.724 10 5 EFBERN CC1(C)[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@@H]1O ZINC001296718923 1322989604 /nfs/dbraw/zinc/98/96/04/1322989604.db2.gz SPGWYHSISMZWRP-KGLIPLIRSA-N 0 0 341.367 2.546 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1C[C@@H]1c1cccnc1 ZINC001296946889 1323064818 /nfs/dbraw/zinc/06/48/18/1323064818.db2.gz LOMBNDFWSPLRJK-OCCSQVGLSA-N 0 0 331.759 2.858 10 5 EFBERN CC(C)(C)CC[C@@H](CO)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001296991446 1323067870 /nfs/dbraw/zinc/06/78/70/1323067870.db2.gz SMZNMXLAOZOBFL-JTQLQIEISA-N 0 0 343.811 2.747 10 5 EFBERN CC(=O)Nc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC001297157353 1323105404 /nfs/dbraw/zinc/10/54/04/1323105404.db2.gz ROCVCVMDQXRXRN-UHFFFAOYSA-N 0 0 348.746 2.532 10 5 EFBERN CN(CCN(C)C(=O)C(C1CC1)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001320067722 1329068850 /nfs/dbraw/zinc/06/88/50/1329068850.db2.gz CLXIXYCKXZLNMO-UHFFFAOYSA-N 0 0 345.443 2.921 10 5 EFBERN COc1ccccc1C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001297231348 1323129194 /nfs/dbraw/zinc/12/91/94/1323129194.db2.gz VUMAOOYGBBUGMR-LBPRGKRZSA-N 0 0 343.383 2.855 10 5 EFBERN CO[C@@H]1CC[C@H]1N(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307231884 1323173799 /nfs/dbraw/zinc/17/37/99/1323173799.db2.gz SFMHMAGEHHPRBL-TZMCWYRMSA-N 0 0 332.316 2.665 10 5 EFBERN CO[C@H]1CC[C@@H]1N(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307231882 1323173813 /nfs/dbraw/zinc/17/38/13/1323173813.db2.gz SFMHMAGEHHPRBL-JSGCOSHPSA-N 0 0 332.316 2.665 10 5 EFBERN CC[C@@H](C)n1ncc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1C ZINC001297408611 1323207982 /nfs/dbraw/zinc/20/79/82/1323207982.db2.gz KOZVMNZXAQOONB-ZCFIWIBFSA-N 0 0 326.744 2.700 10 5 EFBERN Cc1noc(C(C)(C)NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001297780044 1323344131 /nfs/dbraw/zinc/34/41/31/1323344131.db2.gz DPUKDLKKFRJYHM-UHFFFAOYSA-N 0 0 342.714 2.744 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1(Cc2ccc(F)cc2)CC1 ZINC001297939813 1323386949 /nfs/dbraw/zinc/38/69/49/1323386949.db2.gz ZANHCUJHYBTBGO-UHFFFAOYSA-N 0 0 347.321 2.960 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc2ccnn21 ZINC001298191768 1323454123 /nfs/dbraw/zinc/45/41/23/1323454123.db2.gz PZFRZBOZAWZBPF-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)C1CCCCC1 ZINC001298823573 1323616276 /nfs/dbraw/zinc/61/62/76/1323616276.db2.gz GDGDNIWXAFVIQG-UHFFFAOYSA-N 0 0 349.387 2.629 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001298824883 1323617186 /nfs/dbraw/zinc/61/71/86/1323617186.db2.gz RTDBCEFVOFBABM-UHFFFAOYSA-N 0 0 344.327 2.619 10 5 EFBERN Cc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001298874685 1323627401 /nfs/dbraw/zinc/62/74/01/1323627401.db2.gz BPMGKSVXBWSBIU-INIZCTEOSA-N 0 0 340.339 2.617 10 5 EFBERN COc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC001298874709 1323627475 /nfs/dbraw/zinc/62/74/75/1323627475.db2.gz CJUDJHHBYPFWBC-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN Nc1ccc(NC(=O)[C@@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC001298875712 1323627519 /nfs/dbraw/zinc/62/75/19/1323627519.db2.gz OKWSYZGMHLQIMJ-AWEZNQCLSA-N 0 0 329.356 2.672 10 5 EFBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001299100966 1323692537 /nfs/dbraw/zinc/69/25/37/1323692537.db2.gz YJWGXMLHZLUHOY-MRVPVSSYSA-N 0 0 338.751 2.779 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC001299781917 1323706914 /nfs/dbraw/zinc/70/69/14/1323706914.db2.gz HHAZPNJFTWIRQL-ZETCQYMHSA-N 0 0 344.249 2.796 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1cc(F)ccc1C ZINC001299858381 1323709502 /nfs/dbraw/zinc/70/95/02/1323709502.db2.gz FJCKAJGPJYNHTG-UHFFFAOYSA-N 0 0 331.303 2.905 10 5 EFBERN CNc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)cc(Cl)n1 ZINC001299858784 1323710074 /nfs/dbraw/zinc/71/00/74/1323710074.db2.gz MEJHWNKEUXUYIW-UHFFFAOYSA-N 0 0 335.751 2.979 10 5 EFBERN Cn1nnc2cc(NC(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC001299864515 1323711096 /nfs/dbraw/zinc/71/10/96/1323711096.db2.gz KDULFQITZNVXGF-UHFFFAOYSA-N 0 0 345.746 2.711 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1c(O)cccc1F ZINC001299933168 1323712878 /nfs/dbraw/zinc/71/28/78/1323712878.db2.gz LBRBICUFGOSCJL-UHFFFAOYSA-N 0 0 326.230 2.648 10 5 EFBERN O=C(C[C@@H]1Cc2ccccc2O1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933046 1323713499 /nfs/dbraw/zinc/71/34/99/1323713499.db2.gz GRZRVMIISFENPB-LBPRGKRZSA-N 0 0 348.305 2.883 10 5 EFBERN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001299947953 1323713783 /nfs/dbraw/zinc/71/37/83/1323713783.db2.gz NUMRQPPFDZZDLI-NFAWXSAZSA-N 0 0 342.355 2.912 10 5 EFBERN CC(C)[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001320490739 1329144111 /nfs/dbraw/zinc/14/41/11/1329144111.db2.gz FWTMMHHOJYDQTA-SJORKVTESA-N 0 0 331.416 2.531 10 5 EFBERN COc1cccc(C(=O)N[C@H]2CCc3ccc(O)cc32)c1[N+](=O)[O-] ZINC001301039487 1324518988 /nfs/dbraw/zinc/51/89/88/1324518988.db2.gz WXTCJHXZOLKAPU-AWEZNQCLSA-N 0 0 328.324 2.726 10 5 EFBERN COc1cc(C(=O)N2Cc3ccc(O)cc3C2)c([N+](=O)[O-])cc1F ZINC001301073555 1324521166 /nfs/dbraw/zinc/52/11/66/1324521166.db2.gz JSOGOMWUXGVIQZ-UHFFFAOYSA-N 0 0 332.287 2.604 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c1[N+](=O)[O-] ZINC001301116938 1324523203 /nfs/dbraw/zinc/52/32/03/1324523203.db2.gz NWOYAZIRALYGFB-UHFFFAOYSA-N 0 0 341.327 2.695 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001301230481 1324531244 /nfs/dbraw/zinc/53/12/44/1324531244.db2.gz RWYHLCBCQVWKDE-VNQPRFMTSA-N 0 0 343.770 2.899 10 5 EFBERN CC1(C)CC[C@@H](O)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001302160192 1324566316 /nfs/dbraw/zinc/56/63/16/1324566316.db2.gz BWHLRWSCNDDTNL-HUUCEWRRSA-N 0 0 331.372 2.746 10 5 EFBERN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001302457446 1324578475 /nfs/dbraw/zinc/57/84/75/1324578475.db2.gz CIEHJASAENUZQK-GOSISDBHSA-N 0 0 342.399 2.959 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC001320559669 1329163919 /nfs/dbraw/zinc/16/39/19/1329163919.db2.gz STKHKTCDJUWMRY-UHFFFAOYSA-N 0 0 349.350 2.931 10 5 EFBERN O=C(CNC(=O)COc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC001302930857 1324589221 /nfs/dbraw/zinc/58/92/21/1324589221.db2.gz YSGNQXCPMHMGKM-UHFFFAOYSA-N 0 0 334.372 2.629 10 5 EFBERN C=C/C=C\CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001303177399 1324595740 /nfs/dbraw/zinc/59/57/40/1324595740.db2.gz UFPDWEMTSQGMQH-ARJAWSKDSA-N 0 0 327.340 2.770 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2noc(-c3ccco3)n2)c1C ZINC001303576572 1324612987 /nfs/dbraw/zinc/61/29/87/1324612987.db2.gz WGEBPLBNRNTOMM-UHFFFAOYSA-N 0 0 342.311 2.785 10 5 EFBERN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CCOC2(CCC2)C1 ZINC001303776346 1324619729 /nfs/dbraw/zinc/61/97/29/1324619729.db2.gz XTZVSCKQWYVXKQ-MRXNPFEDSA-N 0 0 333.388 2.646 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)CCc1ccccc1 ZINC001303766627 1324620327 /nfs/dbraw/zinc/62/03/27/1324620327.db2.gz KOTYVLDLLQEHPL-AWEZNQCLSA-N 0 0 346.358 2.766 10 5 EFBERN Nc1c(C(=O)N2COCC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001304134832 1324641980 /nfs/dbraw/zinc/64/19/80/1324641980.db2.gz SBYBGHJEWQGVCT-CQSZACIVSA-N 0 0 327.340 2.738 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC(C)(F)F)CC1 ZINC001304157344 1324642167 /nfs/dbraw/zinc/64/21/67/1324642167.db2.gz CBQZWTDHKRWCQB-UHFFFAOYSA-N 0 0 341.358 2.625 10 5 EFBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001304211425 1324646051 /nfs/dbraw/zinc/64/60/51/1324646051.db2.gz QOGULTBGVBLEHF-SNVBAGLBSA-N 0 0 327.340 2.603 10 5 EFBERN Cc1cncc([N+](=O)[O-])c1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC001320576067 1329169766 /nfs/dbraw/zinc/16/97/66/1329169766.db2.gz ODCHMKBMUCASCE-LBPRGKRZSA-N 0 0 328.376 2.609 10 5 EFBERN C[C@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCS1 ZINC001304389761 1324650145 /nfs/dbraw/zinc/65/01/45/1324650145.db2.gz AUHAEMBDZJDLJR-CMPLNLGQSA-N 0 0 346.412 2.999 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CC(=O)c3ccccc32)c(N)c1[N+](=O)[O-] ZINC001304500776 1324652209 /nfs/dbraw/zinc/65/22/09/1324652209.db2.gz MZADELYQAWRRBZ-LBPRGKRZSA-N 0 0 325.324 2.794 10 5 EFBERN Cc1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)c(N)c1[N+](=O)[O-] ZINC001304501266 1324652424 /nfs/dbraw/zinc/65/24/24/1324652424.db2.gz SNBYTEBQCVNYMF-QGGXVJLZSA-N 0 0 341.367 2.517 10 5 EFBERN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)CC1CCCC1 ZINC001304802891 1324663260 /nfs/dbraw/zinc/66/32/60/1324663260.db2.gz QKSAIEKPVMWYMX-NSHDSACASA-N 0 0 340.401 2.756 10 5 EFBERN Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001305561613 1324685767 /nfs/dbraw/zinc/68/57/67/1324685767.db2.gz PWUWUUNZPSJATR-BETUJISGSA-N 0 0 349.387 2.689 10 5 EFBERN Cc1cc(NC(=O)c2ccc3[nH]c(CO)nc3c2)cc([N+](=O)[O-])c1 ZINC001305602419 1324686646 /nfs/dbraw/zinc/68/66/46/1324686646.db2.gz XLBRKHDJYSVVHK-UHFFFAOYSA-N 0 0 326.312 2.524 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C)nc(Cl)c2)c1 ZINC001306862939 1324726649 /nfs/dbraw/zinc/72/66/49/1324726649.db2.gz NKLVVDPSENHLBJ-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001306945702 1324734953 /nfs/dbraw/zinc/73/49/53/1324734953.db2.gz HSCXPARNDSMUDV-NSHDSACASA-N 0 0 339.396 2.530 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](O)c3ccc(C)o3)c2c1 ZINC001306973965 1324736338 /nfs/dbraw/zinc/73/63/38/1324736338.db2.gz CPVBIAAGFAHYCA-HNNXBMFYSA-N 0 0 343.339 2.620 10 5 EFBERN COc1ccc(O[C@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001306982080 1324736454 /nfs/dbraw/zinc/73/64/54/1324736454.db2.gz AVDMZDRELOULDW-LLVKDONJSA-N 0 0 345.355 2.582 10 5 EFBERN Cc1n[nH]c(=O)c(CNc2ccc3cnccc3c2[N+](=O)[O-])c1C ZINC001306974250 1324736570 /nfs/dbraw/zinc/73/65/70/1324736570.db2.gz FVDSUXAOKBDGDI-UHFFFAOYSA-N 0 0 325.328 2.868 10 5 EFBERN O=c1[nH]ccc(NCCOc2ncc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC001306998157 1324737445 /nfs/dbraw/zinc/73/74/45/1324737445.db2.gz KFXHAAWMTOERBG-UHFFFAOYSA-N 0 0 345.142 2.888 10 5 EFBERN C[C@H](O)CN(Cc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307086169 1324741089 /nfs/dbraw/zinc/74/10/89/1324741089.db2.gz QXSWDYDLVBCUFG-LBPRGKRZSA-N 0 0 326.356 2.859 10 5 EFBERN COC(=O)c1ccnc(N[C@@H](C)Cc2ccccc2OC)c1[N+](=O)[O-] ZINC001307111719 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Cc1nc([N+](=O)[O-])cn1Cc1nnc(-c2cccc3cccnc32)o1 ZINC001341474215 1332261874 /nfs/dbraw/zinc/26/18/74/1332261874.db2.gz IDKOLQBNSKYUDK-UHFFFAOYSA-N 0 0 336.311 2.746 10 5 EFBERN O=[N+]([O-])c1ccc(-n2cc(-c3nnc(Cc4ccccn4)o3)cn2)cc1 ZINC001341646075 1332273201 /nfs/dbraw/zinc/27/32/01/1332273201.db2.gz UHEVPWMKRGLSHR-UHFFFAOYSA-N 0 0 348.322 2.816 10 5 EFBERN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](c2nccs2)C(F)(F)F)cc1 ZINC001343894712 1332389172 /nfs/dbraw/zinc/38/91/72/1332389172.db2.gz GVPHPSSGCITGTG-MNOVXSKESA-N 0 0 347.318 2.978 10 5 EFBERN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](c2nccs2)C(F)(F)F)cc1 ZINC001343894714 1332389205 /nfs/dbraw/zinc/38/92/05/1332389205.db2.gz GVPHPSSGCITGTG-QWRGUYRKSA-N 0 0 347.318 2.978 10 5 EFBERN Cc1cncc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001344122694 1332404130 /nfs/dbraw/zinc/40/41/30/1332404130.db2.gz AGTUWHAYKZMODD-WMLDXEAASA-N 0 0 331.347 2.603 10 5 EFBERN COc1ccc(CC(=O)OC[C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC001344368020 1332447721 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CC[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC001345010496 1332502229 /nfs/dbraw/zinc/50/22/29/1332502229.db2.gz NBDUEXKUQJQGKT-LBPRGKRZSA-N 0 0 325.361 2.580 10 5 EFBERN C[C@@H](C(=O)OCCCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC001345040129 1332504026 /nfs/dbraw/zinc/50/40/26/1332504026.db2.gz UYHQMBOAUQGACH-LLVKDONJSA-N 0 0 330.331 2.829 10 5 EFBERN C[C@H]([C@H](OC(=O)[C@@H](C)[C@@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC001345234948 1332524695 /nfs/dbraw/zinc/52/46/95/1332524695.db2.gz YDAMODVZZYKONF-JLUCKKNBSA-N 0 0 325.336 2.890 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])OC[C@H]1CCOC2(CCOCC2)C1 ZINC001345621497 1332553480 /nfs/dbraw/zinc/55/34/80/1332553480.db2.gz KHHZQISGLTXULK-AWEZNQCLSA-N 0 0 349.383 2.656 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC001345688917 1332561359 /nfs/dbraw/zinc/56/13/59/1332561359.db2.gz CDQYUAMEENTADW-VIFPVBQESA-N 0 0 340.323 2.779 10 5 EFBERN CCOc1ccc(OC(C)(C)C(=O)O[C@H](CC)C[N+](=O)[O-])cc1 ZINC001345694774 1332562865 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CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001346197389 1332610536 /nfs/dbraw/zinc/61/05/36/1332610536.db2.gz KTIJCHIYIKWROH-CHWSQXEVSA-N 0 0 344.408 2.622 10 5 EFBERN C[C@@H](NC(=O)N1CC[C@@H]1[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC001346700229 1332675439 /nfs/dbraw/zinc/67/54/39/1332675439.db2.gz OUHBLDZKHMUGIH-VNHYZAJKSA-N 0 0 333.388 2.866 10 5 EFBERN O=[N+]([O-])Cc1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC1CC1 ZINC001346934657 1332704986 /nfs/dbraw/zinc/70/49/86/1332704986.db2.gz IMNOQBDSZARYKN-KRWDZBQOSA-N 0 0 331.420 2.792 10 5 EFBERN C[C@H](c1nnc(N2CCC3(CCCCO3)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001346933747 1332705109 /nfs/dbraw/zinc/70/51/09/1332705109.db2.gz FUHHJQCLOGMCEG-CYBMUJFWSA-N 0 0 349.435 2.565 10 5 EFBERN C[C@]12COC[C@@H]1CN(c1ncnc3c(Cl)cc([N+](=O)[O-])cc31)C2 ZINC001347267804 1332729793 /nfs/dbraw/zinc/72/97/93/1332729793.db2.gz DBFHWAMSEGMOCW-VFZGTOFNSA-N 0 0 334.763 2.664 10 5 EFBERN Cc1c(CO)cc([N+](=O)[O-])c(NC2CC3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC001347271291 1332730053 /nfs/dbraw/zinc/73/00/53/1332730053.db2.gz QRGPRSLSPBRQAU-UHFFFAOYSA-N 0 0 343.286 2.903 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)OCC(F)(F)c1ccc(F)cc1 ZINC001347299098 1332732693 /nfs/dbraw/zinc/73/26/93/1332732693.db2.gz JUUSZGQGIZNPGE-UHFFFAOYSA-N 0 0 343.261 2.656 10 5 EFBERN CCOC(=O)C(C)(C)[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC001347382354 1332739491 /nfs/dbraw/zinc/73/94/91/1332739491.db2.gz XQZTYZQZUPQFAU-MGPQQGTHSA-N 0 0 335.356 2.525 10 5 EFBERN CSc1cccc(C(=O)NCc2cnn3c2CCCC3)c1[N+](=O)[O-] ZINC001347441848 1332745634 /nfs/dbraw/zinc/74/56/34/1332745634.db2.gz RTXHQUCMZWQMRM-UHFFFAOYSA-N 0 0 346.412 2.780 10 5 EFBERN COc1cc(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)sn1 ZINC001347456098 1332747304 /nfs/dbraw/zinc/74/73/04/1332747304.db2.gz OQTVXDLYQSDBPC-UHFFFAOYSA-N 0 0 335.385 2.569 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2ccccc2)CC1 ZINC001347620483 1332760560 /nfs/dbraw/zinc/76/05/60/1332760560.db2.gz QVNXTEZVNMBRJZ-MRXNPFEDSA-N 0 0 341.367 2.781 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001347632118 1332761624 /nfs/dbraw/zinc/76/16/24/1332761624.db2.gz RPDNTFYGXZRQSP-CZUORRHYSA-N 0 0 345.399 2.810 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001347738524 1332769789 /nfs/dbraw/zinc/76/97/89/1332769789.db2.gz OTSCTLJPMAHVIJ-OAHLLOKOSA-N 0 0 329.308 2.821 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001347738520 1332769894 /nfs/dbraw/zinc/76/98/94/1332769894.db2.gz OTSCTLJPMAHVIJ-HNNXBMFYSA-N 0 0 329.308 2.821 10 5 EFBERN C[C@H](CNC(=O)[C@@H]1Cc2cccnc2C1)c1ccccc1[N+](=O)[O-] ZINC001347745940 1332770522 /nfs/dbraw/zinc/77/05/22/1332770522.db2.gz TXGARKQKZMZROR-TZMCWYRMSA-N 0 0 325.368 2.625 10 5 EFBERN COc1cc(CN(C)C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sn1 ZINC001347946740 1332787749 /nfs/dbraw/zinc/78/77/49/1332787749.db2.gz RWULAYBDTYYMAE-UHFFFAOYSA-N 0 0 335.385 2.949 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C2CC2)nn1C ZINC001347997909 1332791783 /nfs/dbraw/zinc/79/17/83/1332791783.db2.gz SIFHSPYTGRYYLG-UHFFFAOYSA-N 0 0 329.360 2.870 10 5 EFBERN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCCC[C@]12CCOC2 ZINC001348114798 1332800792 /nfs/dbraw/zinc/80/07/92/1332800792.db2.gz MPMHUVBAHCYDPZ-JFIYKMOQSA-N 0 0 330.384 2.870 10 5 EFBERN CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001348245038 1332816410 /nfs/dbraw/zinc/81/64/10/1332816410.db2.gz LGPPJFVAJZEEBG-HOTGVXAUSA-N 0 0 339.351 2.697 10 5 EFBERN Cc1cc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc([N+](=O)[O-])c1 ZINC001348316778 1332824437 /nfs/dbraw/zinc/82/44/37/1332824437.db2.gz HREHEABVWAUNOL-SECBINFHSA-N 0 0 341.578 2.963 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)n1 ZINC001348381638 1332831391 /nfs/dbraw/zinc/83/13/91/1332831391.db2.gz UXYBZBCQRYGSRL-UHFFFAOYSA-N 0 0 340.339 2.899 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-n2ccnn2)ccc1F ZINC001348439103 1332835991 /nfs/dbraw/zinc/83/59/91/1332835991.db2.gz MWNGOABVYUPXFA-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN Cn1ccc(-c2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)no2)n1 ZINC001348437890 1332836119 /nfs/dbraw/zinc/83/61/19/1332836119.db2.gz BYMQBXNXXZHUNU-UHFFFAOYSA-N 0 0 347.718 2.889 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(NC2CC2)nc1 ZINC001348477831 1332841147 /nfs/dbraw/zinc/84/11/47/1332841147.db2.gz XSNHBRUPUFCDPH-UHFFFAOYSA-N 0 0 329.312 2.792 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001348661543 1332857961 /nfs/dbraw/zinc/85/79/61/1332857961.db2.gz IEZYZBNURFRXGY-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001348806380 1332872706 /nfs/dbraw/zinc/87/27/06/1332872706.db2.gz BVBDUPRIGUJTQH-RISCZKNCSA-N 0 0 329.356 2.717 10 5 EFBERN C[C@H](OC(=O)[C@H]1CCC[C@@H](F)C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001348997257 1332893900 /nfs/dbraw/zinc/89/39/00/1332893900.db2.gz YSLWHUVEGZCLMF-SDDRHHMPSA-N 0 0 338.335 2.993 10 5 EFBERN C[C@H](OC(=O)[C@H]1CCC[C@H](F)C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001348997263 1332893897 /nfs/dbraw/zinc/89/38/97/1332893897.db2.gz YSLWHUVEGZCLMF-SRVKXCTJSA-N 0 0 338.335 2.993 10 5 EFBERN CN(C(=O)c1cccc(Cn2cncn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001349117232 1332906761 /nfs/dbraw/zinc/90/67/61/1332906761.db2.gz IQORJXPRWLHHNY-UHFFFAOYSA-N 0 0 337.339 2.511 10 5 EFBERN CN(C(=O)c1cc(-c2cccnc2)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC001349117923 1332907454 /nfs/dbraw/zinc/90/74/54/1332907454.db2.gz LQQSDYQXGXZWQD-UHFFFAOYSA-N 0 0 337.339 2.667 10 5 EFBERN O=C(C[C@H](n1cccn1)C(F)(F)F)Oc1cccc([N+](=O)[O-])c1 ZINC001349293779 1332934031 /nfs/dbraw/zinc/93/40/31/1332934031.db2.gz LGEDVJXPSITDHY-NSHDSACASA-N 0 0 329.234 2.890 10 5 EFBERN COC(=O)c1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001349435428 1332952973 /nfs/dbraw/zinc/95/29/73/1332952973.db2.gz WORGRPNZLCNDMG-UHFFFAOYSA-N 0 0 340.335 2.513 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2cnc(C)nc2)c1 ZINC001349511073 1332963298 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CNMTXXXUNVLFKJ-HOCLYGCPSA-N 0 0 347.371 2.549 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@]12CCOC2 ZINC001349768143 1332995671 /nfs/dbraw/zinc/99/56/71/1332995671.db2.gz XAMMVUCMQQJSFI-QGZVFWFLSA-N 0 0 329.356 2.861 10 5 EFBERN Cc1cccc(C)c1NC(=O)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001349820299 1333001854 /nfs/dbraw/zinc/00/18/54/1333001854.db2.gz RRQAPKQAXPCDSJ-UHFFFAOYSA-N 0 0 345.330 2.719 10 5 EFBERN CC(C)(C(=O)N1CCC[C@H](C2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC001349857381 1333005701 /nfs/dbraw/zinc/00/57/01/1333005701.db2.gz MQSCVAVGFAYSRL-AWEZNQCLSA-N 0 0 334.420 2.955 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1ccc(C(N)=O)cc1 ZINC001349901598 1333011205 /nfs/dbraw/zinc/01/12/05/1333011205.db2.gz ZUDAGRMRAQABIF-UHFFFAOYSA-N 0 0 341.367 2.882 10 5 EFBERN COc1ccc(NC(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC001349919583 1333013967 /nfs/dbraw/zinc/01/39/67/1333013967.db2.gz FIEPBCDBTBAPJT-ABAIWWIYSA-N 0 0 335.360 2.636 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c2cnccc12 ZINC001349942552 1333016639 /nfs/dbraw/zinc/01/66/39/1333016639.db2.gz PUQPIJOGSLNMOY-UHFFFAOYSA-N 0 0 326.312 2.661 10 5 EFBERN COC(=O)c1coc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC001350004076 1333024029 /nfs/dbraw/zinc/02/40/29/1333024029.db2.gz IUYVBVZCHLPWLJ-VOTSOKGWSA-N 0 0 331.280 2.731 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N=c1ccccn1Cc1ccccc1 ZINC001350072065 1333032187 /nfs/dbraw/zinc/03/21/87/1333032187.db2.gz KWBPKZFFMICXHF-UHFFFAOYSA-N 0 0 348.362 2.889 10 5 EFBERN COC(=O)[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])c(C)c3)[C@@H]2C1 ZINC001350299517 1333060662 /nfs/dbraw/zinc/06/06/62/1333060662.db2.gz CYISYMGLSWEPEW-QVHKTLOISA-N 0 0 333.340 2.648 10 5 EFBERN COCC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1cccnc1 ZINC001350335925 1333066200 /nfs/dbraw/zinc/06/62/00/1333066200.db2.gz CSJUKIOAHGGNJZ-AWEZNQCLSA-N 0 0 329.356 2.806 10 5 EFBERN O=C(OC[C@@H]1CCOC2(CCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001350345666 1333067338 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C[C@@H](Oc1ccccn1)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001437522512 1387726946 /nfs/dbraw/zinc/72/69/46/1387726946.db2.gz GRKGXAMNIAGIKP-LLVKDONJSA-N 0 0 338.323 2.944 10 5 EFBERN CCOc1cc(NC(=O)c2scnc2COC)ccc1[N+](=O)[O-] ZINC001437551707 1387755707 /nfs/dbraw/zinc/75/57/07/1387755707.db2.gz WQVPEMXZLRHELG-UHFFFAOYSA-N 0 0 337.357 2.849 10 5 EFBERN CC(C)(C)OC(=O)c1cccnc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001437666685 1387914311 /nfs/dbraw/zinc/91/43/11/1387914311.db2.gz WLGBPWNZDQMIHF-UHFFFAOYSA-N 0 0 333.300 2.790 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1c(Cl)oc2ccccc21 ZINC001437689831 1387946670 /nfs/dbraw/zinc/94/66/70/1387946670.db2.gz BKJXJRQGSBFSGM-UHFFFAOYSA-N 0 0 334.719 2.507 10 5 EFBERN CC(=O)Nc1ccccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001437816538 1388113472 /nfs/dbraw/zinc/11/34/72/1388113472.db2.gz NBWWTELRQXUEKN-UHFFFAOYSA-N 0 0 342.355 2.628 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccc(CO)c1 ZINC001545716022 1372073875 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Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)cc(Cl)c2F)n1 ZINC001438537139 1388661753 /nfs/dbraw/zinc/66/17/53/1388661753.db2.gz LLIDWXDDZVUCDT-UHFFFAOYSA-N 0 0 347.133 2.704 10 5 EFBERN O=C(C[C@@H]1CCCC[C@H]1O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001545768879 1380558966 /nfs/dbraw/zinc/55/89/66/1380558966.db2.gz JOAROEGIGDGONR-IINYFYTJSA-N 0 0 326.780 2.806 10 5 EFBERN O=C(NCc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC001438569697 1388675641 /nfs/dbraw/zinc/67/56/41/1388675641.db2.gz BWZYRSSSRYYMBR-UHFFFAOYSA-N 0 0 336.145 2.682 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]12CC[N@H+](C1)CCC2 ZINC001438612027 1388698598 /nfs/dbraw/zinc/69/85/98/1388698598.db2.gz KHIGTZAHUFTRIO-YJBOKZPZSA-N 0 0 331.416 2.518 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnn1-c1ccc(F)cc1 ZINC001438615705 1388701532 /nfs/dbraw/zinc/70/15/32/1388701532.db2.gz JVGWOLBWKMLLQV-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN O=C(Nc1ccc2c(c1)SCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC001438668199 1388727086 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EFBERN Nc1c(C(=O)N[C@@H]2CCO[C@H]2C2CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001439195795 1389044830 /nfs/dbraw/zinc/04/48/30/1389044830.db2.gz QAAMKQWKQLXBSG-PBHICJAKSA-N 0 0 341.367 2.628 10 5 EFBERN C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001439214200 1389052338 /nfs/dbraw/zinc/05/23/38/1389052338.db2.gz OJALTMJFESXPDZ-LLVKDONJSA-N 0 0 349.387 2.829 10 5 EFBERN C[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC001439238991 1389066217 /nfs/dbraw/zinc/06/62/17/1389066217.db2.gz QDRBHWAVNLROJR-ZBEGNZNMSA-N 0 0 340.335 2.554 10 5 EFBERN CN(C)c1cc(F)c(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC001439301996 1389113593 /nfs/dbraw/zinc/11/35/93/1389113593.db2.gz UGGRIFPREHAZSD-SRVKXCTJSA-N 0 0 335.379 2.966 10 5 EFBERN CC(C)[S@@](C)(=O)=NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001439503491 1389300149 /nfs/dbraw/zinc/30/01/49/1389300149.db2.gz OEXRTLVZIMZXGV-JOCHJYFZSA-N 0 0 325.390 2.816 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC001439641583 1389328969 /nfs/dbraw/zinc/32/89/69/1389328969.db2.gz JYBFITJBXMMRSH-LBPRGKRZSA-N 0 0 342.779 2.956 10 5 EFBERN Cc1noc(C[C@H]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)n1 ZINC001439712548 1389329742 /nfs/dbraw/zinc/32/97/42/1389329742.db2.gz ZSKPDVHNGCTCDT-CYBMUJFWSA-N 0 0 344.371 2.690 10 5 EFBERN Cc1cc(NC(=O)c2csc(S(C)(=O)=O)c2)cc([N+](=O)[O-])c1 ZINC001440135884 1389406451 /nfs/dbraw/zinc/40/64/51/1389406451.db2.gz BBSBFDDVPSPDEU-UHFFFAOYSA-N 0 0 340.382 2.621 10 5 EFBERN COc1cc(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1 ZINC001440192177 1389427034 /nfs/dbraw/zinc/42/70/34/1389427034.db2.gz RJZZCZPYJINQDC-UHFFFAOYSA-N 0 0 344.367 2.893 10 5 EFBERN O=C(Nc1cccc(CO)c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001440428178 1389627892 /nfs/dbraw/zinc/62/78/92/1389627892.db2.gz BWWJFRDAZGIJHS-UHFFFAOYSA-N 0 0 344.323 2.501 10 5 EFBERN Nc1ncc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001440487537 1389692755 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CCOc1cc(C)ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001441824946 1391420864 /nfs/dbraw/zinc/42/08/64/1391420864.db2.gz SOYKYHLROMTKHM-INIZCTEOSA-N 0 0 330.340 2.974 10 5 EFBERN CSc1cc(C)ccc1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001446039428 1391546798 /nfs/dbraw/zinc/54/67/98/1391546798.db2.gz APBDKHWPQIJPRI-UHFFFAOYSA-N 0 0 340.792 2.932 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC001446753024 1391596153 /nfs/dbraw/zinc/59/61/53/1391596153.db2.gz LIZVDIBYZLGIPM-CYBMUJFWSA-N 0 0 341.367 2.718 10 5 EFBERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1(C)C ZINC001446807904 1391608827 /nfs/dbraw/zinc/60/88/27/1391608827.db2.gz HQUKOVZRRKCAQS-HAGUPOPPSA-N 0 0 341.795 2.620 10 5 EFBERN COc1ccc(CSCC(=O)N2CCC=C(F)C2)cc1[N+](=O)[O-] ZINC001446865241 1391624949 /nfs/dbraw/zinc/62/49/49/1391624949.db2.gz DFBLKTXMEAVOAO-UHFFFAOYSA-N 0 0 340.376 2.922 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(O)c(OC)c1 ZINC001450714093 1392712188 /nfs/dbraw/zinc/71/21/88/1392712188.db2.gz MRZURAKTTFOMBC-UHFFFAOYSA-N 0 0 346.339 2.889 10 5 EFBERN Nc1ccc(NC(=O)c2ccc3c(c2)CCCC3=O)cc1[N+](=O)[O-] ZINC001450765297 1392739261 /nfs/dbraw/zinc/73/92/61/1392739261.db2.gz DCCPUPUYDCKFSR-UHFFFAOYSA-N 0 0 325.324 2.948 10 5 EFBERN CCc1csc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC001452047384 1392879577 /nfs/dbraw/zinc/87/95/77/1392879577.db2.gz BSBOEEYPVORMNB-ZETCQYMHSA-N 0 0 338.364 2.826 10 5 EFBERN O=C(Nc1c[nH]nc1Br)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001452419432 1392903657 /nfs/dbraw/zinc/90/36/57/1392903657.db2.gz ASCMMLXETABMPM-UHFFFAOYSA-N 0 0 345.540 2.986 10 5 EFBERN Cc1c(C(=O)NOc2ccc(F)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001453027613 1392913967 /nfs/dbraw/zinc/91/39/67/1392913967.db2.gz DCWNQZXBXHGMHU-UHFFFAOYSA-N 0 0 349.274 2.983 10 5 EFBERN O=C(COc1ccsn1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001454441486 1393027786 /nfs/dbraw/zinc/02/77/86/1393027786.db2.gz UXQMNBCQGIEBKM-UHFFFAOYSA-N 0 0 345.739 2.539 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2cccc(F)c2O)cc1[N+](=O)[O-] ZINC001454766425 1393165389 /nfs/dbraw/zinc/16/53/89/1393165389.db2.gz CHEHNKSOKZQKLF-UHFFFAOYSA-N 0 0 325.683 2.927 10 5 EFBERN COc1cc(C(=O)Nc2cc(CC3CC3)[nH]n2)cc([N+](=O)[O-])c1C ZINC001455029255 1394523233 /nfs/dbraw/zinc/52/32/33/1394523233.db2.gz BSYMROMQXFNUHU-UHFFFAOYSA-N 0 0 330.344 2.840 10 5 EFBERN Nc1c(Br)cc(C(=O)Nc2ccsn2)cc1[N+](=O)[O-] ZINC001455117220 1394559337 /nfs/dbraw/zinc/55/93/37/1394559337.db2.gz AMXWEVSWFYOJEI-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001455123220 1394561320 /nfs/dbraw/zinc/56/13/20/1394561320.db2.gz YVDOSKWCOKJLTJ-UHFFFAOYSA-N 0 0 348.742 2.870 10 5 EFBERN Cn1ncc(Cl)c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001455302540 1394589968 /nfs/dbraw/zinc/58/99/68/1394589968.db2.gz IPQNMLHGZRBGQO-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN COC(=O)c1cc(C(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)no1 ZINC001456401343 1394683076 /nfs/dbraw/zinc/68/30/76/1394683076.db2.gz NPUWOSGAUKYIFH-UHFFFAOYSA-N 0 0 340.675 2.550 10 5 EFBERN CO[C@@H](CC(C)C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001456632099 1394735769 /nfs/dbraw/zinc/73/57/69/1394735769.db2.gz XSGPRCIYVYUGBE-INIZCTEOSA-N 0 0 337.420 2.883 10 5 EFBERN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)C1(C)CC1 ZINC001456715119 1394778513 /nfs/dbraw/zinc/77/85/13/1394778513.db2.gz UNAZOSGDKSFJAP-SSDOTTSWSA-N 0 0 342.193 2.858 10 5 EFBERN Cc1cc(C(F)F)n(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])n1 ZINC001456723471 1394781661 /nfs/dbraw/zinc/78/16/61/1394781661.db2.gz GONRHSCNRUXOKK-UHFFFAOYSA-N 0 0 336.298 2.627 10 5 EFBERN Cc1ccccc1-n1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC001456732146 1394783757 /nfs/dbraw/zinc/78/37/57/1394783757.db2.gz ZUMILZMBUANJCW-UHFFFAOYSA-N 0 0 349.350 2.687 10 5 EFBERN Cc1ncccc1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001456911565 1394866640 /nfs/dbraw/zinc/86/66/40/1394866640.db2.gz DQQNININVJLDHF-UHFFFAOYSA-N 0 0 341.367 2.620 10 5 EFBERN CNc1c(C(=O)NCc2c(C)nc3ccccn32)cccc1[N+](=O)[O-] ZINC001456935649 1394873009 /nfs/dbraw/zinc/87/30/09/1394873009.db2.gz LCEZQMVTJGYVBQ-UHFFFAOYSA-N 0 0 339.355 2.523 10 5 EFBERN COc1ccc2c(c1)N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC001457025644 1394928566 /nfs/dbraw/zinc/92/85/66/1394928566.db2.gz IEAFRSAFNHDXBC-UHFFFAOYSA-N 0 0 346.314 2.711 10 5 EFBERN O=C(Nc1ccnn1C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001457054026 1394945893 /nfs/dbraw/zinc/94/58/93/1394945893.db2.gz FZVFMIHSEYTAMM-UHFFFAOYSA-N 0 0 338.327 2.564 10 5 EFBERN O=C(NCCC(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001457075553 1394955957 /nfs/dbraw/zinc/95/59/57/1394955957.db2.gz SLFMZGIJMLAJIK-UHFFFAOYSA-N 0 0 346.240 2.602 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001457115210 1394976571 /nfs/dbraw/zinc/97/65/71/1394976571.db2.gz TXASOFVRMURXKK-UHFFFAOYSA-N 0 0 344.298 2.723 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001457151700 1395002824 /nfs/dbraw/zinc/00/28/24/1395002824.db2.gz RQEBHWUYMGHVFH-UHFFFAOYSA-N 0 0 325.328 2.664 10 5 EFBERN CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1CCc2ccccc2C1 ZINC001457157786 1395007186 /nfs/dbraw/zinc/00/71/86/1395007186.db2.gz UCNGULAOBDVBCI-NSHDSACASA-N 0 0 334.763 2.601 10 5 EFBERN Cc1cc(NC(=O)c2cnc(C3(C)OCCO3)s2)cc([N+](=O)[O-])c1 ZINC001457198738 1395027080 /nfs/dbraw/zinc/02/70/80/1395027080.db2.gz JOEUCIIXURDQDP-UHFFFAOYSA-N 0 0 349.368 2.832 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001457199556 1395028037 /nfs/dbraw/zinc/02/80/37/1395028037.db2.gz NZXZCTYAECARNF-KBPBESRZSA-N 0 0 325.368 2.786 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001457199559 1395028192 /nfs/dbraw/zinc/02/81/92/1395028192.db2.gz NZXZCTYAECARNF-KGLIPLIRSA-N 0 0 325.368 2.786 10 5 EFBERN Cc1cc(NC(=O)[C@@H](C)N2CSCCSC2)cc([N+](=O)[O-])c1 ZINC001457199369 1395028356 /nfs/dbraw/zinc/02/83/56/1395028356.db2.gz MYVHVBVZEPHNTK-LLVKDONJSA-N 0 0 341.458 2.927 10 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1395382603 /nfs/dbraw/zinc/38/26/03/1395382603.db2.gz OHMGBYDPSNIUPC-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN COc1cc(Sc2nnc3ccccn32)c([N+](=O)[O-])cc1OC ZINC001458053913 1395400555 /nfs/dbraw/zinc/40/05/55/1395400555.db2.gz IBOGJPRKTBCOLP-UHFFFAOYSA-N 0 0 332.341 2.806 10 5 EFBERN CCN1C[C@@H](CN(C)c2ncc([N+](=O)[O-])cc2F)Oc2ccccc21 ZINC001458083488 1395404153 /nfs/dbraw/zinc/40/41/53/1395404153.db2.gz JNBWMIKXXHVCIZ-CYBMUJFWSA-N 0 0 346.362 2.853 10 5 EFBERN CC(C)CC(=O)Nc1cccc(CNc2nn(C)cc2[N+](=O)[O-])c1 ZINC001458130243 1395411305 /nfs/dbraw/zinc/41/13/05/1395411305.db2.gz LWFVNQCCTZIGAL-UHFFFAOYSA-N 0 0 331.376 2.925 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2nncn2C2CC2)cc1C ZINC001458169421 1395418291 /nfs/dbraw/zinc/41/82/91/1395418291.db2.gz OMPMADIFSKQQMD-UHFFFAOYSA-N 0 0 345.359 2.618 10 5 EFBERN O=C(CCNc1cc(F)c([N+](=O)[O-])cc1CO)Nc1ccccc1 ZINC001458175016 1395419419 /nfs/dbraw/zinc/41/94/19/1395419419.db2.gz IVKMLDAYUSBWBB-UHFFFAOYSA-N 0 0 333.319 2.667 10 5 EFBERN COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC001458225195 1395427021 /nfs/dbraw/zinc/42/70/21/1395427021.db2.gz OLPZUKZRONYQTC-VMPITWQZSA-N 0 0 346.295 2.635 10 5 EFBERN COC(=O)/C=C/c1ccc(OC)c(Oc2ccc([N+](=O)[O-])nc2)c1 ZINC001458363022 1395454061 /nfs/dbraw/zinc/45/40/61/1395454061.db2.gz FPVXVKNOAZCZHQ-XBXARRHUSA-N 0 0 330.296 2.977 10 5 EFBERN CC(=O)c1ccc(Nc2ccc(O[C@H]3CC(=O)N3)cc2)c([N+](=O)[O-])c1 ZINC001458369696 1395454987 /nfs/dbraw/zinc/45/49/87/1395454987.db2.gz KKBPHFISTUAWFL-KRWDZBQOSA-N 0 0 341.323 2.766 10 5 EFBERN CC[C@@H](C)[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])OC ZINC001458393889 1395458607 /nfs/dbraw/zinc/45/86/07/1395458607.db2.gz IOLUSUMVCUVFFA-BMIGLBTASA-N 0 0 348.359 2.946 10 5 EFBERN CC(C)[C@@]1(C)C[C@H]1Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC001458418412 1395463493 /nfs/dbraw/zinc/46/34/93/1395463493.db2.gz FYUIMJDLGAEIIF-HUUCEWRRSA-N 0 0 341.433 2.692 10 5 EFBERN CCc1cc(NC(=O)C(F)(F)C(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC001458423373 1395464668 /nfs/dbraw/zinc/46/46/68/1395464668.db2.gz PFKOWUWHCJTEQX-UHFFFAOYSA-N 0 0 345.252 2.966 10 5 EFBERN COC(=O)c1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)s1 ZINC001458443399 1395468943 /nfs/dbraw/zinc/46/89/43/1395468943.db2.gz KTNYBLNJHJBTFQ-UHFFFAOYSA-N 0 0 344.352 2.998 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1nc(C(F)F)no1 ZINC001458446847 1395471428 /nfs/dbraw/zinc/47/14/28/1395471428.db2.gz RCLLNFMIRAXDBU-UHFFFAOYSA-N 0 0 339.233 2.637 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](CO)c3ccc(F)cc3F)c2c1 ZINC001458498069 1395482992 /nfs/dbraw/zinc/48/29/92/1395482992.db2.gz UEJJDGFZTHOWLO-HNNXBMFYSA-N 0 0 346.293 2.962 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CO[C@@H](C4CC4)C3)c2c1 ZINC001458524580 1395489293 /nfs/dbraw/zinc/48/92/93/1395489293.db2.gz CMWUWWRFDDAHEE-MEDUHNTESA-N 0 0 329.356 2.553 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)n1 ZINC001458529381 1395489783 /nfs/dbraw/zinc/48/97/83/1395489783.db2.gz WNYIANWXBKHXNU-JIMOISOXSA-N 0 0 349.188 2.841 10 5 EFBERN COc1cc(C(=O)Nc2ccc(C(C)=O)cn2)c([N+](=O)[O-])cc1F ZINC001458536901 1395492060 /nfs/dbraw/zinc/49/20/60/1395492060.db2.gz VJNCQFDKVFKRBT-UHFFFAOYSA-N 0 0 333.275 2.592 10 5 EFBERN CC[C@@H](OC(=O)c1ccnc2c1nnn2C)c1cccc([N+](=O)[O-])c1 ZINC001458571012 1395503775 /nfs/dbraw/zinc/50/37/75/1395503775.db2.gz IFSXSKRBSANNLN-CYBMUJFWSA-N 0 0 341.327 2.580 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 ZINC001458577164 1395507782 /nfs/dbraw/zinc/50/77/82/1395507782.db2.gz CTPHEDSOGNARPC-QLJPJBMISA-N 0 0 333.344 2.541 10 5 EFBERN CC(=O)c1ccc(N2CCC([C@]3(C)COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001458613539 1395522202 /nfs/dbraw/zinc/52/22/02/1395522202.db2.gz CWOBYDPAGNDGIV-KRWDZBQOSA-N 0 0 347.371 2.512 10 5 EFBERN COC(=O)c1cnc(CNc2ccc3ncccc3c2[N+](=O)[O-])s1 ZINC001458620960 1395524106 /nfs/dbraw/zinc/52/41/06/1395524106.db2.gz XQQFYJYNSWUNGY-UHFFFAOYSA-N 0 0 344.352 2.998 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCc1ccnn1-c1ccccc1 ZINC001458623114 1395524500 /nfs/dbraw/zinc/52/45/00/1395524500.db2.gz MKWGKDYQQVNDOR-UHFFFAOYSA-N 0 0 343.774 2.905 10 5 EFBERN COc1cc(NCc2n[nH]c(CSC)n2)c(Cl)cc1[N+](=O)[O-] ZINC001458622641 1395524565 /nfs/dbraw/zinc/52/45/65/1395524565.db2.gz ZZZURQVAHXVQNM-UHFFFAOYSA-N 0 0 343.796 2.850 10 5 EFBERN CC(C)O[C@@]1(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCOC1 ZINC001458637140 1395531834 /nfs/dbraw/zinc/53/18/34/1395531834.db2.gz XLIXITFRRKIHEM-QGZVFWFLSA-N 0 0 349.362 2.700 10 5 EFBERN COC(=O)CC1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCCC1 ZINC001458662519 1395543688 /nfs/dbraw/zinc/54/36/88/1395543688.db2.gz LFJJEVODACQGSE-UHFFFAOYSA-N 0 0 340.351 2.762 10 5 EFBERN O=[N+]([O-])c1cccnc1Oc1cccnc1I ZINC001458718983 1395562155 /nfs/dbraw/zinc/56/21/55/1395562155.db2.gz QYCJIRVSDNRFTF-UHFFFAOYSA-N 0 0 343.080 2.782 10 5 EFBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cnc(Cl)c(F)c1 ZINC001458738536 1395567613 /nfs/dbraw/zinc/56/76/13/1395567613.db2.gz YVXSXKHVNDNSKU-UHFFFAOYSA-N 0 0 334.694 2.541 10 5 EFBERN O=[N+]([O-])c1cccc(OCc2ccc(OCC(F)(F)F)nn2)c1 ZINC001458817521 1395608323 /nfs/dbraw/zinc/60/83/23/1395608323.db2.gz GRSDQYBQFNQGDI-UHFFFAOYSA-N 0 0 329.234 2.905 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2cccc([N+](=O)[O-])c2)c1 ZINC001458818366 1395608586 /nfs/dbraw/zinc/60/85/86/1395608586.db2.gz JZJYZZFIPBDOCA-UHFFFAOYSA-N 0 0 332.268 2.869 10 5 EFBERN CCc1nocc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001458824425 1395610708 /nfs/dbraw/zinc/61/07/08/1395610708.db2.gz NJSKQTTVPRDVRL-UHFFFAOYSA-N 0 0 326.312 2.676 10 5 EFBERN Cc1nsc(C)c1CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001458834035 1395614464 /nfs/dbraw/zinc/61/44/64/1395614464.db2.gz JQAQGKROKWBLQT-UHFFFAOYSA-N 0 0 326.399 2.950 10 5 EFBERN COc1cccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1C ZINC001458893762 1395634087 /nfs/dbraw/zinc/63/40/87/1395634087.db2.gz CWWIYPJNYWSMCJ-UHFFFAOYSA-N 0 0 325.324 2.670 10 5 EFBERN CO[C@@H](Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)c1ccc(F)cc1 ZINC001458895224 1395634198 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CC(=O)N1CCc2c1cccc2NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001459312276 1395793424 /nfs/dbraw/zinc/79/34/24/1395793424.db2.gz KBIAIXXYMFVYCE-UHFFFAOYSA-N 0 0 343.314 2.895 10 5 EFBERN CN(C(=O)c1cc(F)cc2ccncc21)c1ccc([N+](=O)[O-])nc1 ZINC001459476702 1395887497 /nfs/dbraw/zinc/88/74/97/1395887497.db2.gz IIFRCVRMKLKSNZ-UHFFFAOYSA-N 0 0 326.287 2.954 10 5 EFBERN O=C(OCc1ccc(OC(F)(F)F)cc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001459774410 1395982315 /nfs/dbraw/zinc/98/23/15/1395982315.db2.gz GYYLFEXKESOOFK-PSASIEDQSA-N 0 0 339.653 2.947 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1CN1CCN2CCOc3cccc1c32 ZINC001459839654 1395986488 /nfs/dbraw/zinc/98/64/88/1395986488.db2.gz BOSIMYOSJMPDKB-UHFFFAOYSA-N 0 0 329.331 2.953 10 5 EFBERN Cc1c(Br)cc(C(=O)Nc2cnsn2)cc1[N+](=O)[O-] ZINC001459876378 1395988756 /nfs/dbraw/zinc/98/87/56/1395988756.db2.gz PDCUUKBKWCMXSK-UHFFFAOYSA-N 0 0 343.162 2.770 10 5 EFBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CCC2(CCC2)CC1 ZINC001459901195 1395990800 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Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(C(N)=O)c1 ZINC001460234685 1396014995 /nfs/dbraw/zinc/01/49/95/1396014995.db2.gz RWYXYCSNXAYPME-UHFFFAOYSA-N 0 0 341.367 2.918 10 5 EFBERN Cc1cnc2cc(C(=O)N3CCc4c3ccc([N+](=O)[O-])c4F)ccn12 ZINC001460264291 1396018180 /nfs/dbraw/zinc/01/81/80/1396018180.db2.gz LLBZYMNBIQALCJ-UHFFFAOYSA-N 0 0 340.314 2.893 10 5 EFBERN Cc1cc(C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)c2cnn(C)c2n1 ZINC001460289887 1396020422 /nfs/dbraw/zinc/02/04/22/1396020422.db2.gz TVPOVTZEDNJUIC-UHFFFAOYSA-N 0 0 340.339 2.850 10 5 EFBERN CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1cccc([N+](=O)[O-])c1C ZINC001460323550 1396025295 /nfs/dbraw/zinc/02/52/95/1396025295.db2.gz WUITVEZGLJQTTN-ZUEPYMLJSA-N 0 0 346.383 2.850 10 5 EFBERN COc1ccncc1COC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001460623695 1396239255 /nfs/dbraw/zinc/23/92/55/1396239255.db2.gz ZQXJGRGHNWIOPE-UHFFFAOYSA-N 0 0 336.275 2.503 10 5 EFBERN C[C@H](NCc1nc2ccccc2c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC001460747216 1396249839 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CNC(=O)Oc1cccc(OC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC001461441504 1396380919 /nfs/dbraw/zinc/38/09/19/1396380919.db2.gz XZIPZKLPIMEPTF-UHFFFAOYSA-N 0 0 346.295 2.541 10 5 EFBERN C[C@@H](CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-])n1ccnc1 ZINC001461452030 1396381220 /nfs/dbraw/zinc/38/12/20/1396381220.db2.gz RVQGBRCUEGECNP-NSHDSACASA-N 0 0 325.328 2.929 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)o1 ZINC001461454438 1396381334 /nfs/dbraw/zinc/38/13/34/1396381334.db2.gz YBFKNHFOKCLASI-UHFFFAOYSA-N 0 0 341.279 2.775 10 5 EFBERN C[C@@H](C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnn(C)c1 ZINC001461450536 1396381355 /nfs/dbraw/zinc/38/13/55/1396381355.db2.gz JUAFEYLOZJQEJD-SNVBAGLBSA-N 0 0 325.328 2.619 10 5 EFBERN C/C(=C\c1ccccn1)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001461501168 1396384312 /nfs/dbraw/zinc/38/43/12/1396384312.db2.gz QKVOCMJZFCUAJI-UXBLZVDNSA-N 0 0 329.268 2.907 10 5 EFBERN Nc1c(C(=O)NCCc2ccoc2)cc2ccccc2c1[N+](=O)[O-] ZINC001461613774 1396394991 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EFBERN Cc1cc2nccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2n1 ZINC001461828525 1396407397 /nfs/dbraw/zinc/40/73/97/1396407397.db2.gz JJXSIZXCKYPLET-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN Nc1c(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001462015543 1396415708 /nfs/dbraw/zinc/41/57/08/1396415708.db2.gz ZPMADSRZOQWLSK-IUODEOHRSA-N 0 0 341.367 2.628 10 5 EFBERN Cn1c(=O)c2ccccc2n1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001462208004 1396427497 /nfs/dbraw/zinc/42/74/97/1396427497.db2.gz JJFGOEXQQOSZTP-UHFFFAOYSA-N 0 0 331.715 2.590 10 5 EFBERN CCc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)nc1 ZINC001462417334 1396434402 /nfs/dbraw/zinc/43/44/02/1396434402.db2.gz INLYPSYPUSMQLU-UHFFFAOYSA-N 0 0 343.339 2.966 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC001462406868 1396434805 /nfs/dbraw/zinc/43/48/05/1396434805.db2.gz ZNUBDXPYAMBCKC-UHFFFAOYSA-N 0 0 341.245 2.868 10 5 EFBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC001462492107 1396438827 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CCCCN(Cc1c(C)oc(C)c1C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001462945098 1396462996 /nfs/dbraw/zinc/46/29/96/1396462996.db2.gz WYQKGWWPQNBPNX-UHFFFAOYSA-N 0 0 349.391 2.533 10 5 EFBERN Cc1c(C(=O)NCC(C)(C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001463083363 1396472062 /nfs/dbraw/zinc/47/20/62/1396472062.db2.gz AKVWEWWYGUZOHX-UHFFFAOYSA-N 0 0 343.387 2.650 10 5 EFBERN COC(=O)c1c(C)cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)nc1C ZINC001463336285 1396484745 /nfs/dbraw/zinc/48/47/45/1396484745.db2.gz HWAACAMFBJBNBG-UHFFFAOYSA-N 0 0 343.339 2.574 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc(F)cc(C)c1[N+](=O)[O-])CCN2C ZINC001463392400 1396488799 /nfs/dbraw/zinc/48/87/99/1396488799.db2.gz PMVPUJBTNGFWSG-UHFFFAOYSA-N 0 0 344.346 2.842 10 5 EFBERN Cc1cc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)cc([N+](=O)[O-])c1 ZINC001463415995 1396491022 /nfs/dbraw/zinc/49/10/22/1396491022.db2.gz XQKZZKYBUAQASX-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN O=C(Nc1cccc(N2C(=O)CCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC001463416607 1396491771 /nfs/dbraw/zinc/49/17/71/1396491771.db2.gz YFFRASGMDLWBMJ-UHFFFAOYSA-N 0 0 339.307 2.501 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1cn2c(n1)COCC2 ZINC001463451141 1396493906 /nfs/dbraw/zinc/49/39/06/1396493906.db2.gz IRYZLPXNLIPROS-UHFFFAOYSA-N 0 0 338.323 2.727 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001463477725 1396495031 /nfs/dbraw/zinc/49/50/31/1396495031.db2.gz RYHVGMLPEJLJBY-CMPLNLGQSA-N 0 0 338.335 2.504 10 5 EFBERN Cc1noc([C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001463514519 1396497888 /nfs/dbraw/zinc/49/78/88/1396497888.db2.gz NKZRFGCFTRVAOF-ZNMIVQPWSA-N 0 0 344.371 2.903 10 5 EFBERN COc1cccc([S@](=O)CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001463567973 1396502918 /nfs/dbraw/zinc/50/29/18/1396502918.db2.gz RVZZMBYMEHOTSI-XMMPIXPASA-N 0 0 348.380 2.658 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(=O)OCc1ccccc1 ZINC001463673716 1396511532 /nfs/dbraw/zinc/51/15/32/1396511532.db2.gz FCPFUAUGQAVDDT-UHFFFAOYSA-N 0 0 342.351 2.685 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001463669385 1396512026 /nfs/dbraw/zinc/51/20/26/1396512026.db2.gz VFQXZKCQZYSUSP-UHFFFAOYSA-N 0 0 326.312 2.524 10 5 EFBERN O=C(C[C@H](n1ccnc1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC001463667491 1396512058 /nfs/dbraw/zinc/51/20/58/1396512058.db2.gz VYTOQXFAMRSBLD-NSHDSACASA-N 0 0 328.250 2.924 10 5 EFBERN C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001463667431 1396512105 /nfs/dbraw/zinc/51/21/05/1396512105.db2.gz MIVZHYYOMMRNSL-UHFFFAOYSA-N 0 0 341.323 2.986 10 5 EFBERN CN(CCCOc1ccccc1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001463711408 1396514224 /nfs/dbraw/zinc/51/42/24/1396514224.db2.gz LOFQMOLXRLUUNC-UHFFFAOYSA-N 0 0 338.751 2.512 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC001463884920 1396528599 /nfs/dbraw/zinc/52/85/99/1396528599.db2.gz JRBNFLVPMZVTDL-UHFFFAOYSA-N 0 0 328.328 2.955 10 5 EFBERN C[C@H](Cc1ccco1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001464096229 1396545953 /nfs/dbraw/zinc/54/59/53/1396545953.db2.gz NYXGQNXMVHAGAT-SSDOTTSWSA-N 0 0 341.726 2.924 10 5 EFBERN COC(=O)CCCCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001464137334 1396550159 /nfs/dbraw/zinc/55/01/59/1396550159.db2.gz UYONRUASRABSSH-XFXZXTDPSA-N 0 0 334.372 2.848 10 5 EFBERN CC1(C)Oc2ccc(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)cc2O1 ZINC001464159707 1396551474 /nfs/dbraw/zinc/55/14/74/1396551474.db2.gz LWFYTSLEDOGQLB-UHFFFAOYSA-N 0 0 338.707 2.731 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC001464372076 1396569119 /nfs/dbraw/zinc/56/91/19/1396569119.db2.gz QMIIYDCHCWVRHY-UHFFFAOYSA-N 0 0 344.158 2.627 10 5 EFBERN Cc1nc(C2(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])CCCC2)no1 ZINC001464384655 1396570526 /nfs/dbraw/zinc/57/05/26/1396570526.db2.gz MMMUKRWSSHBPIT-UHFFFAOYSA-N 0 0 348.334 2.554 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2nnc(C(F)F)s2)cc1[N+](=O)[O-] ZINC001464427327 1396573760 /nfs/dbraw/zinc/57/37/60/1396573760.db2.gz ZIJCKDLWHJHAOU-UHFFFAOYSA-N 0 0 349.706 2.872 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC001464442926 1396575636 /nfs/dbraw/zinc/57/56/36/1396575636.db2.gz ANELSFGXVBVFJV-UHFFFAOYSA-N 0 0 341.327 2.826 10 5 EFBERN C[C@@H](CNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001464448877 1396576688 /nfs/dbraw/zinc/57/66/88/1396576688.db2.gz GISIPKCPXLAMCK-ZETCQYMHSA-N 0 0 342.193 2.715 10 5 EFBERN Cc1noc(C)c1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001464498288 1396582373 /nfs/dbraw/zinc/58/23/73/1396582373.db2.gz IEHGOXGNDLQRCZ-UHFFFAOYSA-N 0 0 342.311 2.765 10 5 EFBERN Nc1ncc(C(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] ZINC001464645554 1396593392 /nfs/dbraw/zinc/59/33/92/1396593392.db2.gz CHLPINAHQBQZEP-UHFFFAOYSA-N 0 0 333.373 2.550 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc3scnc3c2)c1[N+](=O)[O-] ZINC001464675901 1396596071 /nfs/dbraw/zinc/59/60/71/1396596071.db2.gz UOCGKWOAOQHJRG-UHFFFAOYSA-N 0 0 329.341 2.894 10 5 EFBERN COc1ccc(C[C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001464710701 1396597497 /nfs/dbraw/zinc/59/74/97/1396597497.db2.gz PLPORCOPARSFKV-GFCCVEGCSA-N 0 0 343.383 2.889 10 5 EFBERN CC(C)(C)c1csc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)n1 ZINC001464985628 1396637460 /nfs/dbraw/zinc/63/74/60/1396637460.db2.gz CCPWCHHQRLJVID-UHFFFAOYSA-N 0 0 348.428 2.904 10 5 EFBERN CCc1[nH]n(C)c2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c1-2 ZINC001465031562 1396642146 /nfs/dbraw/zinc/64/21/46/1396642146.db2.gz LKJGHNPQLKPGSD-UHFFFAOYSA-N 0 0 348.750 2.673 10 5 EFBERN C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)c1cccnc1 ZINC001465094478 1396649274 /nfs/dbraw/zinc/64/92/74/1396649274.db2.gz HZQXZLALZMUMQS-ZETCQYMHSA-N 0 0 338.726 2.856 10 5 EFBERN CC[C@H](c1ccncc1)N(CC)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001465298275 1396667267 /nfs/dbraw/zinc/66/72/67/1396667267.db2.gz ZJXHJNDERLLZFW-CYBMUJFWSA-N 0 0 329.360 2.580 10 5 EFBERN O=C(N[C@@H]1CSc2ccccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001465317065 1396669146 /nfs/dbraw/zinc/66/91/46/1396669146.db2.gz PTVUXHOQHPBSSL-HIFRSBDPSA-N 0 0 330.365 2.591 10 5 EFBERN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001465478690 1396685303 /nfs/dbraw/zinc/68/53/03/1396685303.db2.gz WHXRNLRFRUHNJX-HNNXBMFYSA-N 0 0 342.399 2.974 10 5 EFBERN COc1cc(C(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1C ZINC001465523388 1396687529 /nfs/dbraw/zinc/68/75/29/1396687529.db2.gz UWMJNUHIKLZMNF-MNOVXSKESA-N 0 0 326.299 2.639 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001465525490 1396688105 /nfs/dbraw/zinc/68/81/05/1396688105.db2.gz VJQPCVDTXRUFEV-NWDGAFQWSA-N 0 0 328.290 2.780 10 5 EFBERN C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)Sc1ccccc1 ZINC001465540466 1396689910 /nfs/dbraw/zinc/68/99/10/1396689910.db2.gz SUUDBCGPBPQQEW-LRDDRELGSA-N 0 0 346.408 2.925 10 5 EFBERN O=C(Nc1ccc2c(c1)C(=O)CCC2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001465694980 1396703558 /nfs/dbraw/zinc/70/35/58/1396703558.db2.gz CDCBEQOBDOILJV-UHFFFAOYSA-N 0 0 334.719 2.743 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C)c(C)[nH]1 ZINC001465749462 1396708567 /nfs/dbraw/zinc/70/85/67/1396708567.db2.gz YNNAQXGAKXXVLN-UHFFFAOYSA-N 0 0 334.401 2.977 10 5 EFBERN O=C(NC[C@H](O)c1ccccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465776214 1396710342 /nfs/dbraw/zinc/71/03/42/1396710342.db2.gz YUYCLVWIIMVRDS-ZDUSSCGKSA-N 0 0 338.722 2.851 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccc2c(c1)COC2 ZINC001465852929 1396716989 /nfs/dbraw/zinc/71/69/89/1396716989.db2.gz RRHQRVVAYGPNFN-UHFFFAOYSA-N 0 0 330.315 2.623 10 5 EFBERN Cc1ccccc1[C@@H](O)CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001465857911 1396717671 /nfs/dbraw/zinc/71/76/71/1396717671.db2.gz IJQWGYBTZMBWPR-HNNXBMFYSA-N 0 0 332.331 2.814 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC001465923681 1396723397 /nfs/dbraw/zinc/72/33/97/1396723397.db2.gz HNGGLIFNRDSODC-VFZGTOFNSA-N 0 0 336.294 2.725 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCO)cc2)c1C ZINC001465952248 1396726037 /nfs/dbraw/zinc/72/60/37/1396726037.db2.gz YTFKGZNUUVYPCA-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC001466003846 1396731037 /nfs/dbraw/zinc/73/10/37/1396731037.db2.gz JNOUHEABHNHXTI-BZNIZROVSA-N 0 0 346.362 2.962 10 5 EFBERN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001466028018 1396732777 /nfs/dbraw/zinc/73/27/77/1396732777.db2.gz HRGROSFCJLCNHA-MRVPVSSYSA-N 0 0 348.309 2.610 10 5 EFBERN Nc1ncc(C(=O)Nc2cnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC001466079980 1396736322 /nfs/dbraw/zinc/73/63/22/1396736322.db2.gz VCOYOLSTIBQBER-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN O=C(NOCc1cccnc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001466201041 1396744166 /nfs/dbraw/zinc/74/41/66/1396744166.db2.gz VCPHVCSASGYBRA-UHFFFAOYSA-N 0 0 325.683 2.644 10 5 EFBERN CC(=O)Nc1ncccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001466326182 1396748866 /nfs/dbraw/zinc/74/88/66/1396748866.db2.gz MYCJYDCPDIHUFT-UHFFFAOYSA-N 0 0 332.291 2.648 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc2c1C(=O)CC2 ZINC001466355005 1396750106 /nfs/dbraw/zinc/75/01/06/1396750106.db2.gz RCMKYGGITNECID-UHFFFAOYSA-N 0 0 340.335 2.662 10 5 EFBERN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1O ZINC001466540635 1396761675 /nfs/dbraw/zinc/76/16/75/1396761675.db2.gz XKQXTVDAVQVCLO-UHFFFAOYSA-N 0 0 348.380 2.946 10 5 EFBERN CCc1cccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1O ZINC001466636884 1396767433 /nfs/dbraw/zinc/76/74/33/1396767433.db2.gz VVBHLNVVNDZAST-UHFFFAOYSA-N 0 0 326.312 2.991 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccnn1C1CCC1 ZINC001466634872 1396767785 /nfs/dbraw/zinc/76/77/85/1396767785.db2.gz CONWFCRGBAHQNQ-UHFFFAOYSA-N 0 0 326.316 2.645 10 5 EFBERN CCc1[nH]nc(Cl)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001466636602 1396767816 /nfs/dbraw/zinc/76/78/16/1396767816.db2.gz TVXZUSQQJKTWFT-UHFFFAOYSA-N 0 0 334.723 2.662 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)c1C ZINC001466642628 1396767835 /nfs/dbraw/zinc/76/78/35/1396767835.db2.gz KEJMDPFEOAPMCA-LLVKDONJSA-N 0 0 331.376 2.944 10 5 EFBERN CC(C)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[nH]1 ZINC001466643578 1396768537 /nfs/dbraw/zinc/76/85/37/1396768537.db2.gz ZSDVBADQNCASGB-ZLKJLUDKSA-N 0 0 343.387 2.817 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC001466879396 1396794497 /nfs/dbraw/zinc/79/44/97/1396794497.db2.gz HUAOPFKFFYHEIU-NSHDSACASA-N 0 0 344.392 2.920 10 5 EFBERN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001466903639 1396795152 /nfs/dbraw/zinc/79/51/52/1396795152.db2.gz SRXPQOYLPPBBNL-YFKPBYRVSA-N 0 0 340.689 2.774 10 5 EFBERN Cc1n[nH]c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1C(F)(F)F ZINC001466894699 1396795632 /nfs/dbraw/zinc/79/56/32/1396795632.db2.gz RONCHHLNILQXMX-UHFFFAOYSA-N 0 0 342.277 2.884 10 5 EFBERN CCOC(CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)OCC ZINC001466950135 1396800115 /nfs/dbraw/zinc/80/01/15/1396800115.db2.gz SNRQIXBWJHKEGS-UHFFFAOYSA-N 0 0 344.795 2.696 10 5 EFBERN COc1ccc2c(c1)OCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C2 ZINC001467461947 1396858567 /nfs/dbraw/zinc/85/85/67/1396858567.db2.gz NEODOBRMUVNSHX-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1N ZINC001467578560 1396872721 /nfs/dbraw/zinc/87/27/21/1396872721.db2.gz BHGQFRQFIAJPNW-UHFFFAOYSA-N 0 0 349.730 2.869 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1C ZINC001467629651 1396878457 /nfs/dbraw/zinc/87/84/57/1396878457.db2.gz QRLVELRCSZIICF-UHFFFAOYSA-N 0 0 328.250 2.624 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2nccnc2Cl)c1F ZINC001467908852 1396908375 /nfs/dbraw/zinc/90/83/75/1396908375.db2.gz LUPMFNMVSLCPDK-UHFFFAOYSA-N 0 0 342.689 2.555 10 5 EFBERN Nc1c(Br)cc(C(=O)NOC2CCCC2)cc1[N+](=O)[O-] ZINC001546166069 1396921532 /nfs/dbraw/zinc/92/15/32/1396921532.db2.gz GVQGEDWVSVPMHV-UHFFFAOYSA-N 0 0 344.165 2.544 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001468523918 1396965137 /nfs/dbraw/zinc/96/51/37/1396965137.db2.gz ZMXATZHNWJECDA-NSHDSACASA-N 0 0 335.379 2.599 10 5 EFBERN CCOCC(C)(C)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001468607823 1396971739 /nfs/dbraw/zinc/97/17/39/1396971739.db2.gz KYUBWUFKQBCOAS-UHFFFAOYSA-N 0 0 347.774 2.762 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCCc1nccs1 ZINC001468628914 1396973476 /nfs/dbraw/zinc/97/34/76/1396973476.db2.gz CJQOHOSXQFHQSO-UHFFFAOYSA-N 0 0 339.804 2.996 10 5 EFBERN Nc1ncc(C(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1[N+](=O)[O-] ZINC001468638061 1396975086 /nfs/dbraw/zinc/97/50/86/1396975086.db2.gz KUGVDISFKYSKIB-UHFFFAOYSA-N 0 0 338.367 2.802 10 5 EFBERN CP(C)(=O)c1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001468695139 1396980311 /nfs/dbraw/zinc/98/03/11/1396980311.db2.gz UGMKHZHIKDCRIK-UHFFFAOYSA-N 0 0 333.284 2.677 10 5 EFBERN Nc1ccc(NC(=O)Cc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC001468692859 1396980499 /nfs/dbraw/zinc/98/04/99/1396980499.db2.gz CZAFZXIZMNUVQT-UHFFFAOYSA-N 0 0 327.340 2.683 10 5 EFBERN Cn1c2ccccc2sc1=NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001468709860 1396982955 /nfs/dbraw/zinc/98/29/55/1396982955.db2.gz VIFQSAIKIDZWIM-UHFFFAOYSA-N 0 0 345.355 2.957 10 5 EFBERN COc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1SC ZINC001468864225 1396986807 /nfs/dbraw/zinc/98/68/07/1396986807.db2.gz PJHISXVQQUWWAO-UHFFFAOYSA-N 0 0 334.357 2.555 10 5 EFBERN COc1ccc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001469265350 1397016635 /nfs/dbraw/zinc/01/66/35/1397016635.db2.gz RJWXYWWDXVPBGT-NVXWUHKLSA-N 0 0 330.315 2.971 10 5 EFBERN Cc1cc(=O)[nH]c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001469286879 1397018667 /nfs/dbraw/zinc/01/86/67/1397018667.db2.gz UERWBXBRBVJBLY-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1nnc(-c2ccco2)o1 ZINC001469378416 1397027376 /nfs/dbraw/zinc/02/73/76/1397027376.db2.gz ALUNMYRHIRWMFH-UHFFFAOYSA-N 0 0 329.272 2.532 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC)c(F)c1N ZINC001469379798 1397027762 /nfs/dbraw/zinc/02/77/62/1397027762.db2.gz WXWAFQPDJUGFEJ-UHFFFAOYSA-N 0 0 334.307 2.619 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CO)cc1 ZINC001469384421 1397028681 /nfs/dbraw/zinc/02/86/81/1397028681.db2.gz SNGWFTJBXKAMOD-UHFFFAOYSA-N 0 0 332.381 2.739 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2c[nH]cn2)cc1 ZINC001469442197 1397032230 /nfs/dbraw/zinc/03/22/30/1397032230.db2.gz LFOBNIYTVHSEDE-UHFFFAOYSA-N 0 0 336.351 2.844 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(-c3c[nH]cn3)cc2)n1 ZINC001469442174 1397032459 /nfs/dbraw/zinc/03/24/59/1397032459.db2.gz KCFCREMDLGAEHE-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(O)Cc1ccc(F)cc1 ZINC001469524696 1397034390 /nfs/dbraw/zinc/03/43/90/1397034390.db2.gz QOTYKUKVVJDERW-UHFFFAOYSA-N 0 0 349.318 2.844 10 5 EFBERN CC[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001469616500 1397044533 /nfs/dbraw/zinc/04/45/33/1397044533.db2.gz TYIVDXYEMGHKNK-DGCLKSJQSA-N 0 0 341.795 2.596 10 5 EFBERN CC(C)C[N@H+](C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001469792988 1397054914 /nfs/dbraw/zinc/05/49/14/1397054914.db2.gz OUANPDADLGBSAW-UHFFFAOYSA-N 0 0 343.811 2.662 10 5 EFBERN CSc1cccnc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001469788446 1397055033 /nfs/dbraw/zinc/05/50/33/1397055033.db2.gz WWNGJWTZQAOJDU-UHFFFAOYSA-N 0 0 332.385 2.787 10 5 EFBERN C[C@H]1C[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC001469974270 1397063126 /nfs/dbraw/zinc/06/31/26/1397063126.db2.gz PZCYDIVKJPPZRM-UWVGGRQHSA-N 0 0 349.416 2.554 10 5 EFBERN C[C@H]1C[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC001469974271 1397063133 /nfs/dbraw/zinc/06/31/33/1397063133.db2.gz PZCYDIVKJPPZRM-VHSXEESVSA-N 0 0 349.416 2.554 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cc(C(F)F)on1 ZINC001470022156 1397067523 /nfs/dbraw/zinc/06/75/23/1397067523.db2.gz MBBCBOMCJUNGJU-UHFFFAOYSA-N 0 0 340.286 2.562 10 5 EFBERN Cc1ccc2oc(CNC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001470156361 1397077418 /nfs/dbraw/zinc/07/74/18/1397077418.db2.gz OWMKLSKPAHHJEU-QGZVFWFLSA-N 0 0 340.335 2.999 10 5 EFBERN Cc1nc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)oc1C ZINC001470257304 1397083095 /nfs/dbraw/zinc/08/30/95/1397083095.db2.gz RVBSXVNMQSNVGQ-UHFFFAOYSA-N 0 0 327.300 2.638 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1Cc2ccc(O)cc2C1 ZINC001470270898 1397084040 /nfs/dbraw/zinc/08/40/40/1397084040.db2.gz JHZINNMDKMALCQ-UHFFFAOYSA-N 0 0 337.335 2.798 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001470825765 1397124921 /nfs/dbraw/zinc/12/49/21/1397124921.db2.gz OJTDRXROTVQHER-MELADBBJSA-N 0 0 332.404 2.742 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C2C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC001471040991 1397134836 /nfs/dbraw/zinc/13/48/36/1397134836.db2.gz HQFCGLYLOIYEMT-UHFFFAOYSA-N 0 0 334.372 2.585 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001471201955 1397149700 /nfs/dbraw/zinc/14/97/00/1397149700.db2.gz ZMLORQDICABDQH-HAQNSBGRSA-N 0 0 349.387 2.628 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1[N+](=O)[O-] ZINC001471243231 1397153360 /nfs/dbraw/zinc/15/33/60/1397153360.db2.gz PXGXAWVRMIYEOV-UHFFFAOYSA-N 0 0 338.161 2.924 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001471243308 1397153836 /nfs/dbraw/zinc/15/38/36/1397153836.db2.gz XAPWBMRGKFDCQP-ZYHUDNBSSA-N 0 0 329.360 2.815 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccn(CCF)n2)c1F ZINC001471285013 1397156101 /nfs/dbraw/zinc/15/61/01/1397156101.db2.gz BVHMTRORBQCSML-UHFFFAOYSA-N 0 0 328.250 2.600 10 5 EFBERN CC[C@@H](C[C@@H](C)O)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001471294429 1397157520 /nfs/dbraw/zinc/15/75/20/1397157520.db2.gz CFELJUQCJSCXCP-PWSUYJOCSA-N 0 0 349.412 2.998 10 5 EFBERN C[C@@H](NC(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001471320909 1397159632 /nfs/dbraw/zinc/15/96/32/1397159632.db2.gz IUMCMMJIPWJYRW-BYCMXARLSA-N 0 0 333.388 2.722 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001471321075 1397160176 /nfs/dbraw/zinc/16/01/76/1397160176.db2.gz JMGCLKRWSCJBIE-WBMJQRKESA-N 0 0 329.356 2.689 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001471352980 1397164364 /nfs/dbraw/zinc/16/43/64/1397164364.db2.gz RNCUWENVHQDOTH-YIFBXAAPSA-N 0 0 345.399 2.660 10 5 EFBERN O=C(NCc1noc2cc(F)ccc21)c1cc([N+](=O)[O-])ccc1F ZINC001471435536 1397171620 /nfs/dbraw/zinc/17/16/20/1397171620.db2.gz VMZQPJCUWRDHAU-UHFFFAOYSA-N 0 0 333.250 2.944 10 5 EFBERN O=C(CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CC1CCCCC1 ZINC001471454358 1397173081 /nfs/dbraw/zinc/17/30/81/1397173081.db2.gz LSYCKPFPSBPFPR-UHFFFAOYSA-N 0 0 348.355 2.593 10 5 EFBERN C[C@@H](CNC(=O)NC[C@]1(O)CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001471463230 1397174234 /nfs/dbraw/zinc/17/42/34/1397174234.db2.gz BMHCKKBEMOQTLP-SCLBCKFNSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H](C(=O)N1Cc2cncnc2[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001471470031 1397175503 /nfs/dbraw/zinc/17/55/03/1397175503.db2.gz FPZQEKZAXCYMSC-QWRGUYRKSA-N 0 0 344.346 2.773 10 5 EFBERN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001471488064 1397176570 /nfs/dbraw/zinc/17/65/70/1397176570.db2.gz YVSWVEKAKLBIML-VIFPVBQESA-N 0 0 347.749 2.565 10 5 EFBERN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](CO)c1ccccc1 ZINC001471515270 1397181201 /nfs/dbraw/zinc/18/12/01/1397181201.db2.gz UHEITSQETHYPRI-INIZCTEOSA-N 0 0 347.346 2.512 10 5 EFBERN Cc1cc(C(=O)N2CC[C@@H](c3nccs3)C2)c(N)c([N+](=O)[O-])c1 ZINC001471557551 1397183953 /nfs/dbraw/zinc/18/39/53/1397183953.db2.gz QYUPRCKANGIWRV-SNVBAGLBSA-N 0 0 332.385 2.572 10 5 EFBERN Cc1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc(O)c1C ZINC001471605968 1397187962 /nfs/dbraw/zinc/18/79/62/1397187962.db2.gz YZNISNCVVLLLPC-UHFFFAOYSA-N 0 0 340.339 2.906 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001471688874 1397198061 /nfs/dbraw/zinc/19/80/61/1397198061.db2.gz XVMAQARQHWHEQF-ZSSDRMLPSA-N 0 0 346.383 2.845 10 5 EFBERN O=C(NOc1ccccc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001471717467 1397200955 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10 5 EFBERN C[C@H](COCC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001471973404 1397229502 /nfs/dbraw/zinc/22/95/02/1397229502.db2.gz LWPQOGMEDMRMAB-GFCCVEGCSA-N 0 0 335.404 2.892 10 5 EFBERN CCc1ccc(C(=O)N2CC(OC)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001472078570 1397244818 /nfs/dbraw/zinc/24/48/18/1397244818.db2.gz FYMMSLXDXUQXBD-UHFFFAOYSA-N 0 0 332.278 2.561 10 5 EFBERN CCOC(=O)c1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC001472096602 1397247930 /nfs/dbraw/zinc/24/79/30/1397247930.db2.gz KYSJHNMBIIFBOB-UHFFFAOYSA-N 0 0 346.343 2.672 10 5 EFBERN Cc1cc(N[C@H](CC(N)=O)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC001472716871 1397267188 /nfs/dbraw/zinc/26/71/88/1397267188.db2.gz LUBXFHMUHQIMQW-GFCCVEGCSA-N 0 0 334.763 2.980 10 5 EFBERN COc1ccccc1O[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001472711139 1397267214 /nfs/dbraw/zinc/26/72/14/1397267214.db2.gz UXDMGDGOFPQLST-NSHDSACASA-N 0 0 345.355 2.582 10 5 EFBERN NC(=O)C[C@@H]1CCCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001472718498 1397267406 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10 5 EFBERN CCON(Cc1ccccc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001556937781 1415097278 /nfs/dbraw/zinc/09/72/78/1415097278.db2.gz BXTLOYHPMIIRFF-UHFFFAOYSA-N 0 0 344.323 2.917 10 5 EFBERN Nc1c(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc(F)cc1[N+](=O)[O-] ZINC001556957830 1415097690 /nfs/dbraw/zinc/09/76/90/1415097690.db2.gz QKEGRDBZGFTVKV-GXFFZTMASA-N 0 0 333.294 2.741 10 5 EFBERN O=C(Nc1ncccc1OCc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC001556970154 1415098661 /nfs/dbraw/zinc/09/86/61/1415098661.db2.gz PNXCAFBJLFVNFR-UHFFFAOYSA-N 0 0 339.311 2.544 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)s1 ZINC001556975440 1415099260 /nfs/dbraw/zinc/09/92/60/1415099260.db2.gz KXWPOJVJZJDRFU-UHFFFAOYSA-N 0 0 335.341 2.586 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC001556985619 1415100127 /nfs/dbraw/zinc/10/01/27/1415100127.db2.gz XEUXZVKIILTREP-DEOSSOPVSA-N 0 0 348.384 2.924 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(CO)ccn1 ZINC001557117008 1415106480 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O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1c[nH]nc1Br ZINC001557217800 1415113827 /nfs/dbraw/zinc/11/38/27/1415113827.db2.gz YBMMRRMIIBZDDW-UTCJRWHESA-N 0 0 337.133 2.732 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1c[nH]nc1Br ZINC001557217801 1415113925 /nfs/dbraw/zinc/11/39/25/1415113925.db2.gz YBMMRRMIIBZDDW-ZZXKWVIFSA-N 0 0 337.133 2.732 10 5 EFBERN O=C(NC[C@H]1CCc2cccnc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001557233332 1415114577 /nfs/dbraw/zinc/11/45/77/1415114577.db2.gz KUBFOHDPLQQLEM-CYBMUJFWSA-N 0 0 336.351 2.931 10 5 EFBERN CC[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC001557291023 1415118039 /nfs/dbraw/zinc/11/80/39/1415118039.db2.gz SOKRBKLNVYPFJW-SECBINFHSA-N 0 0 326.715 2.992 10 5 EFBERN Cc1ccc(-n2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)n2)cc1 ZINC001557301684 1415118849 /nfs/dbraw/zinc/11/88/49/1415118849.db2.gz XWJLPLYUBZWUKT-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC=C(Cl)C1 ZINC001557313805 1415119663 /nfs/dbraw/zinc/11/96/63/1415119663.db2.gz CUJDAQUGYQSVKO-UHFFFAOYSA-N 0 0 332.747 2.749 10 5 EFBERN COc1cc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC001557344064 1415121863 /nfs/dbraw/zinc/12/18/63/1415121863.db2.gz GVDKCGFCPOGMBR-MGPLVRAMSA-N 0 0 348.330 2.594 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC001557343107 1415121875 /nfs/dbraw/zinc/12/18/75/1415121875.db2.gz ADKHKRANOBDQFE-PSLIRLAXSA-N 0 0 336.294 2.725 10 5 EFBERN C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557485408 1415127592 /nfs/dbraw/zinc/12/75/92/1415127592.db2.gz FVQXMGLONMZGQS-MGPLVRAMSA-N 0 0 335.335 2.560 10 5 EFBERN Cc1ccc2oc(CNC(=O)c3cnc(N)c([N+](=O)[O-])c3)cc2c1 ZINC001557513517 1415129118 /nfs/dbraw/zinc/12/91/18/1415129118.db2.gz NFMAEBMYRDTSRZ-UHFFFAOYSA-N 0 0 326.312 2.557 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001557607250 1415133410 /nfs/dbraw/zinc/13/34/10/1415133410.db2.gz AYGIRJJBBXLZIM-VNQPRFMTSA-N 0 0 343.770 2.899 10 5 EFBERN CC1(C)C[C@]1(CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC001557632478 1415134914 /nfs/dbraw/zinc/13/49/14/1415134914.db2.gz QCMLOJAQCGGELK-SFHVURJKSA-N 0 0 340.383 2.670 10 5 EFBERN O=C(NCc1cc(F)ccc1OC(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC001557668422 1415137263 /nfs/dbraw/zinc/13/72/63/1415137263.db2.gz DSZVUJHTFCNEMO-UHFFFAOYSA-N 0 0 329.234 2.593 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cnn([C@H]2CCCCO2)c1 ZINC001557687566 1415138049 /nfs/dbraw/zinc/13/80/49/1415138049.db2.gz DOQXTKIMZKTBKU-MRXNPFEDSA-N 0 0 346.343 2.508 10 5 EFBERN Nc1ccc(C(=O)N2CCC(c3ccc(F)cn3)CC2)cc1[N+](=O)[O-] ZINC001557715307 1415139622 /nfs/dbraw/zinc/13/96/22/1415139622.db2.gz NOWIONZYGCVEMF-UHFFFAOYSA-N 0 0 344.346 2.731 10 5 EFBERN Cc1cccc(CONC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC001557718740 1415140122 /nfs/dbraw/zinc/14/01/22/1415140122.db2.gz IPVGERKYOHODNS-UHFFFAOYSA-N 0 0 340.339 2.570 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001557841564 1415147409 /nfs/dbraw/zinc/14/74/09/1415147409.db2.gz LJWPVQJYCIFXFT-MRVPVSSYSA-N 0 0 341.352 2.586 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC001557900117 1415150360 /nfs/dbraw/zinc/15/03/60/1415150360.db2.gz HWRYAJDYFKWLRA-UHFFFAOYSA-N 0 0 342.351 2.833 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC(O)(c3ccccc3)C2)cc1Cl ZINC001557902344 1415150446 /nfs/dbraw/zinc/15/04/46/1415150446.db2.gz PTWPVBPKTFDOOD-UHFFFAOYSA-N 0 0 346.770 2.900 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)cc(Cl)c1F ZINC001557962530 1415153341 /nfs/dbraw/zinc/15/33/41/1415153341.db2.gz AEJVNWRBEQLJAG-UHFFFAOYSA-N 0 0 347.133 2.704 10 5 EFBERN Cc1ccc(CNC(=O)[C@@](C)(O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001557985667 1415153746 /nfs/dbraw/zinc/15/37/46/1415153746.db2.gz QUCGTVVMQSJQQK-KRWDZBQOSA-N 0 0 332.331 2.566 10 5 EFBERN C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001558067166 1415157623 /nfs/dbraw/zinc/15/76/23/1415157623.db2.gz AZZFPOFXYGBLLF-MGPLVRAMSA-N 0 0 341.323 2.647 10 5 EFBERN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001558067165 1415157719 /nfs/dbraw/zinc/15/77/19/1415157719.db2.gz AZZFPOFXYGBLLF-HWPZZCPQSA-N 0 0 341.323 2.647 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)c1ccccc1 ZINC001558074536 1415158362 /nfs/dbraw/zinc/15/83/62/1415158362.db2.gz CFVZIGZBYDFJIR-OAHLLOKOSA-N 0 0 342.351 2.995 10 5 EFBERN Cn1ccc(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC001558108339 1415160903 /nfs/dbraw/zinc/16/09/03/1415160903.db2.gz FAKDMLKEIYIKKK-UHFFFAOYSA-N 0 0 327.300 2.917 10 5 EFBERN COC(=O)CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001558123854 1415161584 /nfs/dbraw/zinc/16/15/84/1415161584.db2.gz USPZQHKFWNRDNA-UHFFFAOYSA-N 0 0 343.339 2.535 10 5 EFBERN COc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(N)c1F ZINC001558211138 1415166030 /nfs/dbraw/zinc/16/60/30/1415166030.db2.gz VOTYKGODEUGXNN-VIFPVBQESA-N 0 0 333.319 2.816 10 5 EFBERN O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001558326525 1415172678 /nfs/dbraw/zinc/17/26/78/1415172678.db2.gz CVTHTSLAGFMVFH-HIFRSBDPSA-N 0 0 334.278 2.936 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001558327557 1415173227 /nfs/dbraw/zinc/17/32/27/1415173227.db2.gz YBKHALLCHYZABF-NHYWBVRUSA-N 0 0 349.293 2.518 10 5 EFBERN CC(C)c1oncc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001558342844 1415175755 /nfs/dbraw/zinc/17/57/55/1415175755.db2.gz YWWDTDZIWUDRTO-UHFFFAOYSA-N 0 0 342.315 2.539 10 5 EFBERN COc1cc(C(=O)NCc2cc(C(F)F)on2)cc([N+](=O)[O-])c1C ZINC001558392181 1415177852 /nfs/dbraw/zinc/17/78/52/1415177852.db2.gz TYNPUZCRCLRIHI-UHFFFAOYSA-N 0 0 341.270 2.767 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC(F)(F)OC(F)(F)C1 ZINC001558434360 1415179319 /nfs/dbraw/zinc/17/93/19/1415179319.db2.gz MBGBEFQPJPPBFI-UHFFFAOYSA-N 0 0 342.632 2.906 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC(F)(F)OC(F)(F)C1 ZINC001558434056 1415179492 /nfs/dbraw/zinc/17/94/92/1415179492.db2.gz HBTFAYOUPQLZHO-UHFFFAOYSA-N 0 0 336.241 2.572 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001558442846 1415180110 /nfs/dbraw/zinc/18/01/10/1415180110.db2.gz PFMOSCBMPHVXRZ-UHFFFAOYSA-N 0 0 347.758 2.884 10 5 EFBERN CSc1ccc(C(=O)N2CCC[C@H](c3ncon3)C2)cc1[N+](=O)[O-] ZINC001558449551 1415180211 /nfs/dbraw/zinc/18/02/11/1415180211.db2.gz MOEQEQFMWWSGEJ-NSHDSACASA-N 0 0 348.384 2.720 10 5 EFBERN CC(C)(C(=O)N1CCC(c2ncon2)CC1)c1ccccc1[N+](=O)[O-] ZINC001558450790 1415180469 /nfs/dbraw/zinc/18/04/69/1415180469.db2.gz XMGUHPCITNPAOV-UHFFFAOYSA-N 0 0 344.371 2.662 10 5 EFBERN C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001558477462 1415182491 /nfs/dbraw/zinc/18/24/91/1415182491.db2.gz JHXKDIVVYGQQSR-WFASDCNBSA-N 0 0 340.383 2.980 10 5 EFBERN CC(C)[S@](C)(=O)=NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001558470015 1415182515 /nfs/dbraw/zinc/18/25/15/1415182515.db2.gz QQEPHZIJXGMTJK-NRFANRHFSA-N 0 0 337.760 2.616 10 5 EFBERN CSc1cccc(C(=O)N(C)Cc2cccc(=O)[nH]2)c1[N+](=O)[O-] ZINC001558516248 1415184963 /nfs/dbraw/zinc/18/49/63/1415184963.db2.gz KLBYTWRQGBNUAZ-UHFFFAOYSA-N 0 0 333.369 2.690 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(NC=O)c2)c1 ZINC001558558485 1415189029 /nfs/dbraw/zinc/18/90/29/1415189029.db2.gz LPECVODBYRFWOT-UHFFFAOYSA-N 0 0 343.339 2.879 10 5 EFBERN Cc1cc(C)c(CC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001558603377 1415192170 /nfs/dbraw/zinc/19/21/70/1415192170.db2.gz OZSOFOGZTPEGFV-LBPRGKRZSA-N 0 0 343.383 2.775 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001558609933 1415192823 /nfs/dbraw/zinc/19/28/23/1415192823.db2.gz FGUUSSBVQHQUGE-GWCFXTLKSA-N 0 0 326.780 2.919 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001558724020 1415197335 /nfs/dbraw/zinc/19/73/35/1415197335.db2.gz GGZNNEYRSBIWJX-UHFFFAOYSA-N 0 0 340.335 2.806 10 5 EFBERN O=C(N[C@H]1Cc2ccc(Cl)cc2C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558735134 1415197861 /nfs/dbraw/zinc/19/78/61/1415197861.db2.gz ANCJJBKCOTXEQE-HOCLYGCPSA-N 0 0 346.770 2.565 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](O)c2cccnc2)c1 ZINC001558729148 1415198161 /nfs/dbraw/zinc/19/81/61/1415198161.db2.gz FPGJDBBKWMRQAH-HNNXBMFYSA-N 0 0 347.396 2.517 10 5 EFBERN O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558735132 1415198334 /nfs/dbraw/zinc/19/83/34/1415198334.db2.gz ANCJJBKCOTXEQE-GDBMZVCRSA-N 0 0 346.770 2.565 10 5 EFBERN Cc1cc(C(=O)NCc2nc(C(C)(C)C)co2)c(N)c([N+](=O)[O-])c1 ZINC001558742941 1415199050 /nfs/dbraw/zinc/19/90/50/1415199050.db2.gz LVAVQKZSJWPRBX-UHFFFAOYSA-N 0 0 332.360 2.701 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001558814533 1415203529 /nfs/dbraw/zinc/20/35/29/1415203529.db2.gz VLUSKLKIGBNYIL-OCCSQVGLSA-N 0 0 338.791 2.818 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1Cc1ccccc1 ZINC001558808746 1415203549 /nfs/dbraw/zinc/20/35/49/1415203549.db2.gz SQQFWUNOWYTZPA-UONOGXRCSA-N 0 0 325.368 2.786 10 5 EFBERN COc1ccc(C(=O)N2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC001558849411 1415205653 /nfs/dbraw/zinc/20/56/53/1415205653.db2.gz FWMBDUPEAWJTFS-UHFFFAOYSA-N 0 0 328.324 2.508 10 5 EFBERN Cn1ccnc1[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F ZINC001558865995 1415207202 /nfs/dbraw/zinc/20/72/02/1415207202.db2.gz CMFQVDQVPVEDEW-SNVBAGLBSA-N 0 0 346.240 2.501 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(O)c2ccccc12 ZINC001558901921 1415210518 /nfs/dbraw/zinc/21/05/18/1415210518.db2.gz LIDXZEIGPOIPQR-UHFFFAOYSA-N 0 0 326.312 2.597 10 5 EFBERN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ncc[nH]1 ZINC001558986822 1415216551 /nfs/dbraw/zinc/21/65/51/1415216551.db2.gz XRKYLBUZWFHKLA-NSHDSACASA-N 0 0 332.363 2.895 10 5 EFBERN CCNC(=O)N1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001559056872 1415221247 /nfs/dbraw/zinc/22/12/47/1415221247.db2.gz BPJAUHRCMRXCAY-UHFFFAOYSA-N 0 0 347.202 2.753 10 5 EFBERN C[C@H](CN1CCOCC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001559069555 1415222760 /nfs/dbraw/zinc/22/27/60/1415222760.db2.gz VGGVLAAHDPCWCP-SNVBAGLBSA-N 0 0 333.310 2.746 10 5 EFBERN CN(Cc1nnc2ccccn21)c1nccc2c1cccc2[N+](=O)[O-] ZINC001559086793 1415223619 /nfs/dbraw/zinc/22/36/19/1415223619.db2.gz NWEGVOAOGSEUEJ-UHFFFAOYSA-N 0 0 334.339 2.822 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nccc(S(C)(=O)=O)n1 ZINC001559106676 1415224409 /nfs/dbraw/zinc/22/44/09/1415224409.db2.gz VDOUTEUUFHDUSO-UHFFFAOYSA-N 0 0 343.748 2.542 10 5 EFBERN CCc1c[nH]c2ncnc(NCCOc3ccc([N+](=O)[O-])cc3)c12 ZINC001559097958 1415224559 /nfs/dbraw/zinc/22/45/59/1415224559.db2.gz LTEBHYNCWLFSPB-UHFFFAOYSA-N 0 0 327.344 2.871 10 5 EFBERN CCn1c(Sc2cc(F)ncn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001559133131 1415225868 /nfs/dbraw/zinc/22/58/68/1415225868.db2.gz RJAPXTSRWTWVCM-UHFFFAOYSA-N 0 0 346.347 2.954 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@]3(C)CCCC[C@H]3O)c2c1 ZINC001559128480 1415225928 /nfs/dbraw/zinc/22/59/28/1415225928.db2.gz WVMPPZSQSHGWTH-SJLPKXTDSA-N 0 0 345.399 2.927 10 5 EFBERN Cc1ccc(CNc2nn(C)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC001559136418 1415226025 /nfs/dbraw/zinc/22/60/25/1415226025.db2.gz RTORPDXSMSMYLO-CQSZACIVSA-N 0 0 346.387 2.807 10 5 EFBERN O=c1[nH]ccc(N2Cc3ccc(Br)cc3C2)c1[N+](=O)[O-] ZINC001559160064 1415227543 /nfs/dbraw/zinc/22/75/43/1415227543.db2.gz CVTWXRGONBCARQ-UHFFFAOYSA-N 0 0 336.145 2.978 10 5 EFBERN Cc1cc(N[C@H]2CCn3ccnc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559195958 1415228695 /nfs/dbraw/zinc/22/86/95/1415228695.db2.gz APGAWTAKEHLDGN-AWEZNQCLSA-N 0 0 336.355 2.536 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(=O)NCCc1ccccc1 ZINC001559189881 1415228708 /nfs/dbraw/zinc/22/87/08/1415228708.db2.gz DWZNELJPPQANEC-LBPRGKRZSA-N 0 0 331.347 2.893 10 5 EFBERN CC(=O)N(c1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC001559196892 1415229221 /nfs/dbraw/zinc/22/92/21/1415229221.db2.gz ITNGGYSPQKKSCR-IINYFYTJSA-N 0 0 329.360 2.833 10 5 EFBERN O=c1ccc(Br)cn1CCNc1sccc1[N+](=O)[O-] ZINC001559199607 1415229419 /nfs/dbraw/zinc/22/94/19/1415229419.db2.gz FVYFCIAZTAHGKY-UHFFFAOYSA-N 0 0 344.190 2.693 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC4(C3)CCOCC4)c2c1 ZINC001559199937 1415229458 /nfs/dbraw/zinc/22/94/58/1415229458.db2.gz IOBCTKCQYUJOSU-UHFFFAOYSA-N 0 0 344.327 2.668 10 5 EFBERN Cc1ccc2nnc(CNc3ncnc4ccc([N+](=O)[O-])cc43)n2c1 ZINC001559216308 1415230734 /nfs/dbraw/zinc/23/07/34/1415230734.db2.gz VEWYGBYSJIPZLT-UHFFFAOYSA-N 0 0 335.327 2.501 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)c3cnccn3)c2c1 ZINC001559224530 1415230875 /nfs/dbraw/zinc/23/08/75/1415230875.db2.gz DHVVIGADYRZVDR-SNVBAGLBSA-N 0 0 325.328 2.537 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC(c3ccc4cccnc4n3)CC2)n1 ZINC001559224557 1415231148 /nfs/dbraw/zinc/23/11/48/1415231148.db2.gz AADFEECDEJHAKF-UHFFFAOYSA-N 0 0 338.371 2.656 10 5 EFBERN COC(=O)c1nc(CNc2nc(C)ccc2[N+](=O)[O-])ccc1Cl ZINC001559232562 1415231886 /nfs/dbraw/zinc/23/18/86/1415231886.db2.gz LMVPGKRNRJYECS-UHFFFAOYSA-N 0 0 336.735 2.745 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(Nc3ccc4nccn4c3)c2c1 ZINC001559242569 1415232530 /nfs/dbraw/zinc/23/25/30/1415232530.db2.gz FZMGLLFPYHDXKQ-UHFFFAOYSA-N 0 0 335.323 2.965 10 5 EFBERN Cc1cc(CSc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)no1 ZINC001559299633 1415237914 /nfs/dbraw/zinc/23/79/14/1415237914.db2.gz MEJDGPWHVZUPTK-UHFFFAOYSA-N 0 0 328.371 2.587 10 5 EFBERN O=[N+]([O-])c1c(NCC2CCC3(CC3)CC2)ncnc1N1CCOCC1 ZINC001559249699 1415233431 /nfs/dbraw/zinc/23/34/31/1415233431.db2.gz KAGPKDODRBBMHL-UHFFFAOYSA-N 0 0 347.419 2.604 10 5 EFBERN NC(=O)c1ccnc(SCc2cccc3cccnc32)c1[N+](=O)[O-] ZINC001559257631 1415234037 /nfs/dbraw/zinc/23/40/37/1415234037.db2.gz AAGOWYFLUKKFHB-UHFFFAOYSA-N 0 0 340.364 2.929 10 5 EFBERN CCN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001559277223 1415235462 /nfs/dbraw/zinc/23/54/62/1415235462.db2.gz IUDCREIIAKEQRN-CYBMUJFWSA-N 0 0 336.392 2.826 10 5 EFBERN COC(=O)CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001559270803 1415235533 /nfs/dbraw/zinc/23/55/33/1415235533.db2.gz GFZMMQQGYCOWGU-LLVKDONJSA-N 0 0 337.332 2.673 10 5 EFBERN Cc1n[nH]c(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC001559271178 1415235845 /nfs/dbraw/zinc/23/58/45/1415235845.db2.gz WTRSJIDSCOWETH-UHFFFAOYSA-N 0 0 338.371 2.734 10 5 EFBERN CC[C@H]1COCCN1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559272823 1415235886 /nfs/dbraw/zinc/23/58/86/1415235886.db2.gz NZGWNNOHCXWRIH-AWEZNQCLSA-N 0 0 330.388 2.666 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC3(CCC3)O2)n1 ZINC001559286523 1415236252 /nfs/dbraw/zinc/23/62/52/1415236252.db2.gz CSGZJXCIVVJXHT-NSHDSACASA-N 0 0 335.360 2.680 10 5 EFBERN CCN(C(=O)CNc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC001559280483 1415236259 /nfs/dbraw/zinc/23/62/59/1415236259.db2.gz IGPDGYOKBJYBQF-UHFFFAOYSA-N 0 0 345.384 2.769 10 5 EFBERN CC(=O)c1ccc(N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001559283062 1415236290 /nfs/dbraw/zinc/23/62/90/1415236290.db2.gz SJGATFPZLCWEBU-DYVFJYSZSA-N 0 0 347.371 2.512 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc2c(c1)OCCCO2 ZINC001559282102 1415236327 /nfs/dbraw/zinc/23/63/27/1415236327.db2.gz BFPVKTJGWJBIAX-UHFFFAOYSA-N 0 0 346.387 2.936 10 5 EFBERN C[C@](O)(CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001559284338 1415236493 /nfs/dbraw/zinc/23/64/93/1415236493.db2.gz XSYCEVAYZRWJQE-HNNXBMFYSA-N 0 0 335.291 2.962 10 5 EFBERN Cc1nnc(C2CN(c3c4cccc(Cl)c4ncc3[N+](=O)[O-])C2)[nH]1 ZINC001559280025 1415236748 /nfs/dbraw/zinc/23/67/48/1415236748.db2.gz NUFAIWNJRSIEQS-UHFFFAOYSA-N 0 0 344.762 2.827 10 5 EFBERN COc1cccc(-c2cc(CNc3c([N+](=O)[O-])cnn3C)on2)c1 ZINC001559288926 1415237160 /nfs/dbraw/zinc/23/71/60/1415237160.db2.gz YYMATODRWJFQFS-UHFFFAOYSA-N 0 0 329.316 2.604 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)c2ncccc2C)c1[N+](=O)[O-] ZINC001559300940 1415238079 /nfs/dbraw/zinc/23/80/79/1415238079.db2.gz IEUXCCPLTCZKNK-LLVKDONJSA-N 0 0 330.344 2.961 10 5 EFBERN Nc1ccn(CCc2c(Cl)cccc2Cl)c(=O)c1[N+](=O)[O-] ZINC001559438397 1415245945 /nfs/dbraw/zinc/24/59/45/1415245945.db2.gz LYHNVNZXNUCYIE-UHFFFAOYSA-N 0 0 328.155 2.888 10 5 EFBERN CO[C@H](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 ZINC001559311626 1415238606 /nfs/dbraw/zinc/23/86/06/1415238606.db2.gz BJCMMKHKWVNYDQ-CQSZACIVSA-N 0 0 344.298 2.718 10 5 EFBERN COc1ccc(OC)c([C@@H](O)COc2cc(C=O)ccc2[N+](=O)[O-])c1 ZINC001559365726 1415241076 /nfs/dbraw/zinc/24/10/76/1415241076.db2.gz UOYRVGWBXLHBGF-HNNXBMFYSA-N 0 0 347.323 2.537 10 5 EFBERN Cc1cncc(-c2nc(COc3ncc(C)cc3[N+](=O)[O-])no2)c1 ZINC001559378434 1415241693 /nfs/dbraw/zinc/24/16/93/1415241693.db2.gz BOXPIISEKIETRS-UHFFFAOYSA-N 0 0 327.300 2.631 10 5 EFBERN Cc1nn(CC(=O)Nc2ccccc2Cl)c2ncc([N+](=O)[O-])cc12 ZINC001559377951 1415241825 /nfs/dbraw/zinc/24/18/25/1415241825.db2.gz NSFUJPZDNBTOCL-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN Cc1nn(Cc2ccc(F)cc2[N+](=O)[O-])c2ncc([N+](=O)[O-])cc12 ZINC001559378269 1415242008 /nfs/dbraw/zinc/24/20/08/1415242008.db2.gz UZCHILOLIWLRIE-UHFFFAOYSA-N 0 0 331.263 2.744 10 5 EFBERN CCn1c(SCc2cc[nH]n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001559381961 1415242085 /nfs/dbraw/zinc/24/20/85/1415242085.db2.gz NENDVEDCJWQGCU-UHFFFAOYSA-N 0 0 330.373 2.889 10 5 EFBERN CC1(C)CC[C@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)OC1 ZINC001559401634 1415243125 /nfs/dbraw/zinc/24/31/25/1415243125.db2.gz DODGWWIUSUBGPK-CYBMUJFWSA-N 0 0 333.344 2.617 10 5 EFBERN C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC001559706184 1415253530 /nfs/dbraw/zinc/25/35/30/1415253530.db2.gz KEUDWLYOLDLXQC-ZANVPECISA-N 0 0 329.194 2.560 10 5 EFBERN Cc1cnc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[nH]c1=O ZINC001559416342 1415243945 /nfs/dbraw/zinc/24/39/45/1415243945.db2.gz FVRBWHVESDNTIZ-SECBINFHSA-N 0 0 334.357 2.518 10 5 EFBERN COc1cccc(OCCOc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001559475740 1415248380 /nfs/dbraw/zinc/24/83/80/1415248380.db2.gz SFCKJEWNOJYYLJ-UHFFFAOYSA-N 0 0 347.323 2.832 10 5 EFBERN Cc1cncc(-c2nc(CN3Cc4ccc([N+](=O)[O-])cc4C3)no2)c1 ZINC001559576598 1415250384 /nfs/dbraw/zinc/25/03/84/1415250384.db2.gz GGKOSARIVAJWRA-UHFFFAOYSA-N 0 0 337.339 2.864 10 5 EFBERN C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001559729451 1415254040 /nfs/dbraw/zinc/25/40/40/1415254040.db2.gz YELOARMFEJFCBO-XJKSGUPXSA-N 0 0 331.416 2.994 10 5 EFBERN CC(C)N(Cc1cc([N+](=O)[O-])ccc1Br)C1COC1 ZINC001559859344 1415256514 /nfs/dbraw/zinc/25/65/14/1415256514.db2.gz ATMRKFSAEVENOY-UHFFFAOYSA-N 0 0 329.194 2.967 10 5 EFBERN CC(C)CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1=O ZINC001559774258 1415255940 /nfs/dbraw/zinc/25/59/40/1415255940.db2.gz CRBDPXKNTPGLMX-LBPRGKRZSA-N 0 0 339.823 2.937 10 5 EFBERN CC(=O)c1ccc(N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001560100027 1415263207 /nfs/dbraw/zinc/26/32/07/1415263207.db2.gz CNWHEAHFPUGGKN-UHFFFAOYSA-N 0 0 341.367 2.897 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2Cc3ccccc3CO2)c1 ZINC001560087276 1415263608 /nfs/dbraw/zinc/26/36/08/1415263608.db2.gz XNABKDXSOZFXLR-UHFFFAOYSA-N 0 0 328.324 2.829 10 5 EFBERN Cc1nccnc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001560124251 1415264368 /nfs/dbraw/zinc/26/43/68/1415264368.db2.gz RFTLONQUAZZTBW-OLZOCXBDSA-N 0 0 343.387 2.679 10 5 EFBERN Cc1nc([C@H]2CCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])[nH]c1C ZINC001560138333 1415264959 /nfs/dbraw/zinc/26/49/59/1415264959.db2.gz QHEWCYVBAZPPJW-OAHLLOKOSA-N 0 0 343.387 2.710 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@H](CO)c2cc(F)ccc2F)cc1F ZINC001560224636 1415268610 /nfs/dbraw/zinc/26/86/10/1415268610.db2.gz BHZRIYZEUWBQKR-CQSZACIVSA-N 0 0 326.274 2.835 10 5 EFBERN Cc1cccnc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001560221487 1415268825 /nfs/dbraw/zinc/26/88/25/1415268825.db2.gz XFVMPHCFVRWVAK-OLZOCXBDSA-N 0 0 328.372 2.976 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@@H](CO)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001564376386 1415376034 /nfs/dbraw/zinc/37/60/34/1415376034.db2.gz KLMVXGXKIKXVEL-IVMMDQJWSA-N 0 0 335.404 2.848 10 5 EFBERN CC(=O)c1cccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001564683875 1415381283 /nfs/dbraw/zinc/38/12/83/1415381283.db2.gz TYSDUSABHDRUEO-UHFFFAOYSA-N 0 0 341.367 2.839 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC001564754903 1415381764 /nfs/dbraw/zinc/38/17/64/1415381764.db2.gz RBJNEBONOPJBEO-AAEUAGOBSA-N 0 0 329.360 2.605 10 5 EFBERN Cc1ccc(CNC(=O)N2C[C@H]3CSC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001565214365 1415392032 /nfs/dbraw/zinc/39/20/32/1415392032.db2.gz TVIIHEGBIYEETD-XJKSGUPXSA-N 0 0 335.429 2.798 10 5 EFBERN Cc1nc(C(C)(C)NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)no1 ZINC001565338282 1415393521 /nfs/dbraw/zinc/39/35/21/1415393521.db2.gz VQONXBAKEBPNDG-SECBINFHSA-N 0 0 333.348 2.582 10 5 EFBERN CC(C)(CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001565410285 1415394959 /nfs/dbraw/zinc/39/49/59/1415394959.db2.gz QCKIGAVXLQMCRF-UHFFFAOYSA-N 0 0 346.431 2.863 10 5 EFBERN Cc1[nH]nc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1C ZINC001565568442 1415403291 /nfs/dbraw/zinc/40/32/91/1415403291.db2.gz VHOGRAZCSIVUTD-UHFFFAOYSA-N 0 0 326.316 2.577 10 5 EFBERN Cc1cc(F)ccc1C(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001565598390 1415405440 /nfs/dbraw/zinc/40/54/40/1415405440.db2.gz HXMMVNGXRRYDGQ-UHFFFAOYSA-N 0 0 331.347 2.909 10 5 EFBERN Cc1nn(C(C)C)cc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001565598912 1415405970 /nfs/dbraw/zinc/40/59/70/1415405970.db2.gz XTXPMFKAAGYWAY-UHFFFAOYSA-N 0 0 345.403 2.547 10 5 EFBERN Cc1ccc(Cl)cc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001565599106 1415406081 /nfs/dbraw/zinc/40/60/81/1415406081.db2.gz HDXIOCJQBWLPDC-UHFFFAOYSA-N 0 0 348.790 2.818 10 5 EFBERN CCC1(C(=O)NCCN(C)c2ncc([N+](=O)[O-])cc2C)CCCC1 ZINC001565599220 1415406089 /nfs/dbraw/zinc/40/60/89/1415406089.db2.gz MXIKADANCULHBM-UHFFFAOYSA-N 0 0 334.420 2.821 10 5 EFBERN O=C(Nc1nc(-c2ccco2)cs1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001565625801 1415407446 /nfs/dbraw/zinc/40/74/46/1415407446.db2.gz BAXBPQKLHRQCGY-ZDUSSCGKSA-N 0 0 345.336 2.983 10 5 EFBERN O=C(Nc1nc(-c2ccco2)cs1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001565625800 1415407570 /nfs/dbraw/zinc/40/75/70/1415407570.db2.gz BAXBPQKLHRQCGY-CYBMUJFWSA-N 0 0 345.336 2.983 10 5 EFBERN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001566073348 1415504707 /nfs/dbraw/zinc/50/47/07/1415504707.db2.gz LDCLCMKBSNJUSY-HZMBPMFUSA-N 0 0 344.346 2.934 10 5 EFBERN O=C([C@@H](CO)c1ccc(Cl)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001566169526 1415533413 /nfs/dbraw/zinc/53/34/13/1415533413.db2.gz SYAPGLANQGUERK-INIZCTEOSA-N 0 0 346.770 2.867 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001566286635 1415538804 /nfs/dbraw/zinc/53/88/04/1415538804.db2.gz IQFRAPVYWGHFAD-SUMWQHHRSA-N 0 0 326.356 2.859 10 5 EFBERN O=C(NCc1ccc(O)c(F)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001566357838 1415542205 /nfs/dbraw/zinc/54/22/05/1415542205.db2.gz NQIZLQQMUXEAJL-KGLIPLIRSA-N 0 0 330.315 2.859 10 5 EFBERN C[C@H](Cc1ccc(O)cc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001566371823 1415543553 /nfs/dbraw/zinc/54/35/53/1415543553.db2.gz APZHGOSPSCUOAE-LLVKDONJSA-N 0 0 332.331 2.729 10 5 EFBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(CCCO)C1CC1 ZINC001566420731 1415545682 /nfs/dbraw/zinc/54/56/82/1415545682.db2.gz ILXNFGOUMVTGLB-UHFFFAOYSA-N 0 0 341.367 2.644 10 5 EFBERN C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001566780143 1415772595 /nfs/dbraw/zinc/77/25/95/1415772595.db2.gz CVFVNOBEBRMKSF-BDJLRTHQSA-N 0 0 332.331 2.628 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(C(C)=O)cc1 ZINC001566790880 1415776780 /nfs/dbraw/zinc/77/67/80/1415776780.db2.gz BMKICDLLOPUBBN-UHFFFAOYSA-N 0 0 342.351 2.779 10 5 EFBERN CC(C)CCSc1ccc(C(=O)Nn2cnnc2)cc1[N+](=O)[O-] ZINC001566897427 1415830890 /nfs/dbraw/zinc/83/08/90/1415830890.db2.gz CJXZVOLPWQZCQV-UHFFFAOYSA-N 0 0 335.389 2.708 10 5 EFBERN Cc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)cn1 ZINC001566917084 1415843860 /nfs/dbraw/zinc/84/38/60/1415843860.db2.gz JINHIHDMHAFOLV-UHFFFAOYSA-N 0 0 338.367 2.810 10 5 EFBERN CC(=O)OCCc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001566961086 1415873874 /nfs/dbraw/zinc/87/38/74/1415873874.db2.gz SJZWJIJBXUJIRU-UHFFFAOYSA-N 0 0 343.339 2.656 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc2[C@@H]1CO ZINC001567078234 1415926030 /nfs/dbraw/zinc/92/60/30/1415926030.db2.gz PJAPHLUBJODDHH-INIZCTEOSA-N 0 0 346.770 2.980 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1CO ZINC001567078080 1415926095 /nfs/dbraw/zinc/92/60/95/1415926095.db2.gz ITVVQOPSEBRNOR-KRWDZBQOSA-N 0 0 344.342 2.774 10 5 EFBERN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2N)cnn1CC(C)C ZINC001567227223 1416002380 /nfs/dbraw/zinc/00/23/80/1416002380.db2.gz OTUBJUTWGGXIMQ-UHFFFAOYSA-N 0 0 331.376 2.844 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1c(Cl)ccnc1F ZINC001567246095 1416013325 /nfs/dbraw/zinc/01/33/25/1416013325.db2.gz UEKQYVRDQHLBTG-UHFFFAOYSA-N 0 0 335.682 2.911 10 5 EFBERN CC(C)(C(=O)N1CCOc2ncccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC001567331343 1416077025 /nfs/dbraw/zinc/07/70/25/1416077025.db2.gz UDPWSQRITUXIAM-UHFFFAOYSA-N 0 0 341.367 2.689 10 5 EFBERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001567377517 1416103168 /nfs/dbraw/zinc/10/31/68/1416103168.db2.gz KYDOFOOMYVYIGQ-BDJLRTHQSA-N 0 0 326.356 2.795 10 5 EFBERN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001567377519 1416103283 /nfs/dbraw/zinc/10/32/83/1416103283.db2.gz KYDOFOOMYVYIGQ-MEDUHNTESA-N 0 0 326.356 2.795 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NN1Cc2ccccc2C1=O ZINC001567474969 1416151825 /nfs/dbraw/zinc/15/18/25/1416151825.db2.gz FOUSEUUDQPETMM-UHFFFAOYSA-N 0 0 325.324 2.512 10 5 EFBERN O=C(Nc1cnn2ccccc12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001587299672 1416184408 /nfs/dbraw/zinc/18/44/08/1416184408.db2.gz LMIJLBRITUFVTE-UHFFFAOYSA-N 0 0 332.266 2.973 10 5 EFBERN CO[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001568076675 1416398271 /nfs/dbraw/zinc/39/82/71/1416398271.db2.gz LTOXITWVGVXTQZ-JQWIXIFHSA-N 0 0 327.768 2.518 10 5 EFBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)cc1 ZINC001568275664 1416463262 /nfs/dbraw/zinc/46/32/62/1416463262.db2.gz LHYLPBLFPUPDLB-OAHLLOKOSA-N 0 0 349.774 2.948 10 5 EFBERN COc1ccc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)nc1 ZINC001568351808 1416487511 /nfs/dbraw/zinc/48/75/11/1416487511.db2.gz GQYZDJNFRSXWKG-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN Cc1ccoc1CC(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001568495434 1416543688 /nfs/dbraw/zinc/54/36/88/1416543688.db2.gz LHGFUOUWYQWJSI-UHFFFAOYSA-N 0 0 345.399 2.629 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@H](C)c2ccc3c(c2)CCO3)c1[N+](=O)[O-] ZINC001645790326 1416558280 /nfs/dbraw/zinc/55/82/80/1416558280.db2.gz XEASGKDHXIWYHG-SNVBAGLBSA-N 0 0 344.371 2.696 10 5 EFBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(c2ncon2)CC1 ZINC001645969417 1416594363 /nfs/dbraw/zinc/59/43/63/1416594363.db2.gz ZVUDRPJDTNIZBD-UHFFFAOYSA-N 0 0 336.735 2.651 10 5 EFBERN COc1cc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2cc1OC ZINC001646000245 1416598571 /nfs/dbraw/zinc/59/85/71/1416598571.db2.gz XCHXOGZPEKBCBK-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001646004694 1416598947 /nfs/dbraw/zinc/59/89/47/1416598947.db2.gz GGDOVLAPGLWQGW-BJOHPYRUSA-N 0 0 336.294 2.784 10 5 EFBERN CN(C)c1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001646089118 1416611528 /nfs/dbraw/zinc/61/15/28/1416611528.db2.gz FWAJOZNBHWCFQS-HNNXBMFYSA-N 0 0 349.774 2.986 10 5 EFBERN Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(N)c1[N+](=O)[O-] ZINC001646255293 1416639125 /nfs/dbraw/zinc/63/91/25/1416639125.db2.gz NBWLZYBHRFRJMG-UHFFFAOYSA-N 0 0 339.307 2.844 10 5 EFBERN COC(=O)Nc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001646258350 1416639157 /nfs/dbraw/zinc/63/91/57/1416639157.db2.gz AUNUNMJVOPVCPE-UHFFFAOYSA-N 0 0 344.327 2.916 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(OC(C)C)nc2)c(N)c1[N+](=O)[O-] ZINC001646255814 1416639169 /nfs/dbraw/zinc/63/91/69/1416639169.db2.gz RUQRRARDSJXNSD-UHFFFAOYSA-N 0 0 330.344 2.920 10 5 EFBERN Cc1ccc(NC(=O)C(F)(F)C2(O)CCCCC2)c(N)c1[N+](=O)[O-] ZINC001646258653 1416639422 /nfs/dbraw/zinc/63/94/22/1416639422.db2.gz FSSUEDCDRRIONH-UHFFFAOYSA-N 0 0 343.330 2.754 10 5 EFBERN Cc1ccc(NC(=O)c2cnc3n2CCCCC3)c(N)c1[N+](=O)[O-] ZINC001646260285 1416639516 /nfs/dbraw/zinc/63/95/16/1416639516.db2.gz ZPKZHAYKPXXURI-UHFFFAOYSA-N 0 0 329.360 2.661 10 5 EFBERN Cc1ccc(NC(=O)c2scc3c2OCCO3)c(N)c1[N+](=O)[O-] ZINC001646258695 1416639526 /nfs/dbraw/zinc/63/95/26/1416639526.db2.gz GRUMJOQASJXJMR-UHFFFAOYSA-N 0 0 335.341 2.570 10 5 EFBERN Cc1ccc(NC(=O)C[C@@H]2c3ccccc3NC2=O)c(N)c1[N+](=O)[O-] ZINC001646258608 1416639549 /nfs/dbraw/zinc/63/95/49/1416639549.db2.gz FLIBYLRIFJEZIP-LLVKDONJSA-N 0 0 340.339 2.550 10 5 EFBERN Cc1cccc2c1O[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N)C2 ZINC001646259087 1416639588 /nfs/dbraw/zinc/63/95/88/1416639588.db2.gz KBGZMDPUBMBBQW-CYBMUJFWSA-N 0 0 327.340 2.736 10 5 EFBERN CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001683181863 1416679016 /nfs/dbraw/zinc/67/90/16/1416679016.db2.gz NABBNUNQXJYPIY-AEFFLSMTSA-N 0 0 346.431 2.861 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001683830451 1416685678 /nfs/dbraw/zinc/68/56/78/1416685678.db2.gz CWGCDIHLOJQSBG-NWDGAFQWSA-N 0 0 339.392 2.743 10 5 EFBERN C[C@@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001684042230 1416691323 /nfs/dbraw/zinc/69/13/23/1416691323.db2.gz CDUFDPUCEFRZRK-LLVKDONJSA-N 0 0 333.388 2.506 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC001684706208 1416728504 /nfs/dbraw/zinc/72/85/04/1416728504.db2.gz GVWHTKQBZFMZDM-CXAGYDPISA-N 0 0 343.383 2.825 10 5 EFBERN Cc1ccc(CNC(=O)NCCNc2ccccc2)cc1[N+](=O)[O-] ZINC001684706752 1416728768 /nfs/dbraw/zinc/72/87/68/1416728768.db2.gz PSXZWSOTXMJPQQ-UHFFFAOYSA-N 0 0 328.372 2.815 10 5 EFBERN Cc1cccc(NCCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001684706879 1416728790 /nfs/dbraw/zinc/72/87/90/1416728790.db2.gz UORQKQOHHFGLPP-UHFFFAOYSA-N 0 0 343.387 2.518 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001684711771 1416729088 /nfs/dbraw/zinc/72/90/88/1416729088.db2.gz GCFFDFWRAVJJAR-RHSMWYFYSA-N 0 0 344.415 2.781 10 5 EFBERN C[C@@H](NC(=O)N[C@H]([C@@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC001684974003 1416738934 /nfs/dbraw/zinc/73/89/34/1416738934.db2.gz XZNPYVACGDYZKU-PJQXDXOGSA-N 0 0 347.415 2.752 10 5 EFBERN COC(=O)CC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001685072207 1416742442 /nfs/dbraw/zinc/74/24/42/1416742442.db2.gz SFELYCKOCUKWHB-NSHDSACASA-N 0 0 337.376 2.544 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001685084144 1416742906 /nfs/dbraw/zinc/74/29/06/1416742906.db2.gz JGPBJPMGSLVFMI-ZDUSSCGKSA-N 0 0 343.387 2.638 10 5 EFBERN C[C@H](CNC(=O)NC[C@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001685447837 1416763987 /nfs/dbraw/zinc/76/39/87/1416763987.db2.gz RGZSODIJUULEJL-DYVFJYSZSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H](CNC(=O)NC(C)(C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC001685528161 1416766404 /nfs/dbraw/zinc/76/64/04/1416766404.db2.gz PUGFSARZODFCPY-GFCCVEGCSA-N 0 0 345.403 2.666 10 5 EFBERN CC[C@H](NC(=O)NCc1cc(C)c[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001685996742 1416785157 /nfs/dbraw/zinc/78/51/57/1416785157.db2.gz WBSIAIINWZPMGY-HNNXBMFYSA-N 0 0 344.371 2.954 10 5 EFBERN O=C(c1sccc1F)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001688694809 1416996359 /nfs/dbraw/zinc/99/63/59/1416996359.db2.gz ZIIGYWXXTNDCHK-UHFFFAOYSA-N 0 0 349.387 2.753 10 5 EFBERN CCC1(C(=O)NCCN(C)c2cc(C)c([N+](=O)[O-])cn2)CCCC1 ZINC001689820547 1417081910 /nfs/dbraw/zinc/08/19/10/1417081910.db2.gz STUAMIIQLZMAPH-UHFFFAOYSA-N 0 0 334.420 2.821 10 5 EFBERN CN(CCNC(=O)C(C1CC1)C1CC1)c1cccc(F)c1[N+](=O)[O-] ZINC001690213368 1417174570 /nfs/dbraw/zinc/17/45/70/1417174570.db2.gz XKTMZKYYGZTKRU-UHFFFAOYSA-N 0 0 335.379 2.723 10 5 EFBERN CC(C)=C(C)CC(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001692325298 1417276921 /nfs/dbraw/zinc/27/69/21/1417276921.db2.gz RNJPWQRAMRWYPA-UHFFFAOYSA-N 0 0 331.416 2.889 10 5 EFBERN CCC(C)(C)C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001699661338 1417443084 /nfs/dbraw/zinc/44/30/84/1417443084.db2.gz MSIMVNMUAISOAZ-UHFFFAOYSA-N 0 0 325.434 2.831 10 5 EFBERN CN(CCNC(=O)C1(C(C)(F)F)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713467286 1418547494 /nfs/dbraw/zinc/54/74/94/1418547494.db2.gz HOXARMSCJJRLPK-UHFFFAOYSA-N 0 0 341.358 2.578 10 5 EFBERN O=C(NC/C=C\CNCc1csc([N+](=O)[O-])c1)C1CC2(CCC2)C1 ZINC001715861383 1418691867 /nfs/dbraw/zinc/69/18/67/1418691867.db2.gz UOWTWNLCKJMZSE-UPHRSURJSA-N 0 0 349.456 2.999 10 5 EFBERN Cc1ccoc1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001716270262 1418750031 /nfs/dbraw/zinc/75/00/31/1418750031.db2.gz VJTXKCDGWBUETI-PLNGDYQASA-N 0 0 329.356 2.572 10 5 EFBERN Cc1ccoc1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001716270263 1418750339 /nfs/dbraw/zinc/75/03/39/1418750339.db2.gz VJTXKCDGWBUETI-SNAWJCMRSA-N 0 0 329.356 2.572 10 5 EFBERN CN(C(=O)/C=C/C(C)(C)C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001716737997 1418985708 /nfs/dbraw/zinc/98/57/08/1418985708.db2.gz OPWIUYWNCWERQS-MDZDMXLPSA-N 0 0 331.416 2.840 10 5 EFBERN CN(C(=O)CCC(C)(F)F)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001716743687 1418987794 /nfs/dbraw/zinc/98/77/94/1418987794.db2.gz CGXLKVAIWGIABS-UHFFFAOYSA-N 0 0 347.387 2.734 10 5 EFBERN C=C/C(C)=C/CC(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001723782331 1424577963 /nfs/dbraw/zinc/57/79/63/1424577963.db2.gz KZWOIMNSDITGGT-LFYBBSHMSA-N 0 0 335.429 2.821 10 5 EFBERN COC(C)(C)Cn1c(C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001729804700 1426328258 /nfs/dbraw/zinc/32/82/58/1426328258.db2.gz FRXNEYZVIBCQNB-UHFFFAOYSA-N 0 0 347.419 2.599 10 5 EFBERN COc1ccc(F)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120284729 713050896 /nfs/dbraw/zinc/05/08/96/713050896.db2.gz FOAROBYMFNGAJU-UHFFFAOYSA-N 0 0 332.334 2.605 10 5 EFBERN COc1ccc(OS(=O)(=O)/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000255012217 713286293 /nfs/dbraw/zinc/28/62/93/713286293.db2.gz UYYMZFVWIOAXIA-KTKRTIGZSA-N 0 0 335.337 2.983 10 5 EFBERN Cc1ccc(NC[C@@]2(O)CCO[C@H]2C)c([N+](=O)[O-])c1Br ZINC000804673844 713394683 /nfs/dbraw/zinc/39/46/83/713394683.db2.gz LLASXPSTYCCAEA-ZANVPECISA-N 0 0 345.193 2.618 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000924040728 713408142 /nfs/dbraw/zinc/40/81/42/713408142.db2.gz GEIFTPJKRHEDRL-DOMZBBRYSA-N 0 0 333.388 2.914 10 5 EFBERN O=c1[nH]c(N2CC[C@@H](c3ccccn3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000804685042 713413984 /nfs/dbraw/zinc/41/39/84/713413984.db2.gz FUUGXSOTONNXQH-LLVKDONJSA-N 0 0 337.339 2.633 10 5 EFBERN CO[C@@H]1COCC[C@@H]1CC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000838012001 713421493 /nfs/dbraw/zinc/42/14/93/713421493.db2.gz MPGFHMKRDRUDSY-QMTHXVAHSA-N 0 0 343.763 2.733 10 5 EFBERN Cc1ccc(N2CC[C@](F)(CO)C2)c([N+](=O)[O-])c1Br ZINC000804697093 713426861 /nfs/dbraw/zinc/42/68/61/713426861.db2.gz TYNRRTCTZMMGQG-GFCCVEGCSA-N 0 0 333.157 2.576 10 5 EFBERN C/C(=C\C(=O)N1CCOC[C@@H]1CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000804722678 713451433 /nfs/dbraw/zinc/45/14/33/713451433.db2.gz LTJUSTQSINCWKU-ZHZWZMEUSA-N 0 0 340.326 2.881 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000890764238 713451715 /nfs/dbraw/zinc/45/17/15/713451715.db2.gz JTAZAAIZJQKSHW-DGCLKSJQSA-N 0 0 332.356 2.841 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000890770367 713459388 /nfs/dbraw/zinc/45/93/88/713459388.db2.gz DPCWSMFLMYAMJO-CZUORRHYSA-N 0 0 345.399 2.516 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000890770197 713459640 /nfs/dbraw/zinc/45/96/40/713459640.db2.gz SPOAMEFSCCKWSJ-TZMCWYRMSA-N 0 0 326.356 2.865 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804792791 713470616 /nfs/dbraw/zinc/47/06/16/713470616.db2.gz TUTGWCZIEGCMPZ-RDDDGLTNSA-N 0 0 335.238 2.659 10 5 EFBERN Cc1ccc(CCC(=O)OC[C@H](C)[N+](=O)[O-])c(Br)c1 ZINC000813107913 713536705 /nfs/dbraw/zinc/53/67/05/713536705.db2.gz ROELXMSZPSQIIK-JTQLQIEISA-N 0 0 330.178 2.899 10 5 EFBERN C[C@]1(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000177258844 713714789 /nfs/dbraw/zinc/71/47/89/713714789.db2.gz HAWNEQHSEHDYIJ-MRXNPFEDSA-N 0 0 331.328 2.506 10 5 EFBERN C[C@@]1(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000177258858 713714887 /nfs/dbraw/zinc/71/48/87/713714887.db2.gz HAWNEQHSEHDYIJ-INIZCTEOSA-N 0 0 331.328 2.506 10 5 EFBERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000177642922 713823413 /nfs/dbraw/zinc/82/34/13/713823413.db2.gz YSRQAZXOYPTCIH-NSHDSACASA-N 0 0 334.376 2.564 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)/C=C\c1ccccc1 ZINC000255137742 713844296 /nfs/dbraw/zinc/84/42/96/713844296.db2.gz JNZSRVHCJXHTNQ-KTKRTIGZSA-N 0 0 335.337 2.983 10 5 EFBERN CC[S@@](=O)CCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000234099914 713850514 /nfs/dbraw/zinc/85/05/14/713850514.db2.gz NBBLHTGZIATNCD-GOSISDBHSA-N 0 0 335.223 2.846 10 5 EFBERN Cc1nn(C)c(Cl)c1CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000788009832 713974957 /nfs/dbraw/zinc/97/49/57/713974957.db2.gz WUQCBARWBLURIA-UHFFFAOYSA-N 0 0 338.795 2.801 10 5 EFBERN COc1ccc(CC(=O)OC/C=C/Br)cc1[N+](=O)[O-] ZINC000813932394 714040698 /nfs/dbraw/zinc/04/06/98/714040698.db2.gz CZMNBMCTAQYBMQ-GORDUTHDSA-N 0 0 330.134 2.598 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000891299336 714280490 /nfs/dbraw/zinc/28/04/90/714280490.db2.gz WMFFZWJULPQDLG-BZPMIXESSA-N 0 0 334.372 2.546 10 5 EFBERN O=Cc1ccc(OCC(=O)NC/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000255866834 717976647 /nfs/dbraw/zinc/97/66/47/717976647.db2.gz QTWSDSOVQAPGOK-DAXSKMNVSA-N 0 0 340.335 2.616 10 5 EFBERN Nc1ccc(C(=O)NCCCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000050690635 714454585 /nfs/dbraw/zinc/45/45/85/714454585.db2.gz VBSSPSOEVDTYLA-UHFFFAOYSA-N 0 0 343.383 2.904 10 5 EFBERN CN(CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000098001090 714745759 /nfs/dbraw/zinc/74/57/59/714745759.db2.gz JUOQRWBIJXITPL-KHPPLWFESA-N 0 0 325.368 2.861 10 5 EFBERN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CCC1=O ZINC000235668442 718004857 /nfs/dbraw/zinc/00/48/57/718004857.db2.gz AJIONEMHMPZMJR-VIFPVBQESA-N 0 0 327.178 2.768 10 5 EFBERN CC(=O)N1CCC(Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 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2.649 10 5 EFBERN Cc1cn(CN2CCC[C@H](C)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707365 724142418 /nfs/dbraw/zinc/14/24/18/724142418.db2.gz MJFYFFLRLZMKJD-AWEZNQCLSA-N 0 0 344.415 2.935 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1nc(CN(C)C)cs1 ZINC000895480931 724155669 /nfs/dbraw/zinc/15/56/69/724155669.db2.gz PDLRVGHOAWFPSG-UHFFFAOYSA-N 0 0 334.401 2.928 10 5 EFBERN CC(=O)c1cc(N[C@H]2CCCN3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000895566981 724203634 /nfs/dbraw/zinc/20/36/34/724203634.db2.gz DPTVFZMKBACIKD-HOCLYGCPSA-N 0 0 335.429 2.789 10 5 EFBERN CC(=O)c1ccc(N[C@H]2CCCN3CCSC[C@@H]23)c([N+](=O)[O-])c1 ZINC000895567592 724203780 /nfs/dbraw/zinc/20/37/80/724203780.db2.gz ROQMZHGWRROJCJ-BBRMVZONSA-N 0 0 335.429 2.789 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CC(CC4CCOCC4)C3)nc2c1 ZINC000895616532 724224587 /nfs/dbraw/zinc/22/45/87/724224587.db2.gz VVEXVRQVTFKJIW-UHFFFAOYSA-N 0 0 331.372 2.985 10 5 EFBERN CC(=O)c1ccc(N2CCC(c3ccn(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000895642969 724240194 /nfs/dbraw/zinc/24/01/94/724240194.db2.gz CEACHECJHHHZRH-UHFFFAOYSA-N 0 0 328.372 2.915 10 5 EFBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000929211882 728886641 /nfs/dbraw/zinc/88/66/41/728886641.db2.gz KTAZRFAZDOKKPS-ZYHUDNBSSA-N 0 0 325.752 2.795 10 5 EFBERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](Nc1cccnc1[N+](=O)[O-])C2 ZINC000897298952 724302301 /nfs/dbraw/zinc/30/23/01/724302301.db2.gz OMHJIJRNTBSRRG-WXHSDQCUSA-N 0 0 334.376 2.942 10 5 EFBERN Cc1csc([C@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000727669591 724320727 /nfs/dbraw/zinc/32/07/27/724320727.db2.gz OGILHRGSTSTFGF-JTQLQIEISA-N 0 0 345.384 2.587 10 5 EFBERN C[C@H](NC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000897307396 724333105 /nfs/dbraw/zinc/33/31/05/724333105.db2.gz NTJGETMBPORKGT-JSGCOSHPSA-N 0 0 347.415 2.809 10 5 EFBERN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895846566 724348074 /nfs/dbraw/zinc/34/80/74/724348074.db2.gz QKBXLJITCBKABD-PKXJPQMGSA-N 0 0 330.306 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/nfs/dbraw/zinc/56/56/83/725565683.db2.gz JGXBIAZESUMGLU-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN CC(C)(O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000721859745 725663349 /nfs/dbraw/zinc/66/33/49/725663349.db2.gz AVRREFFRAJYUAN-VIFPVBQESA-N 0 0 329.194 2.955 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)c3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000913607948 725676237 /nfs/dbraw/zinc/67/62/37/725676237.db2.gz PNYQLBMOOQKLKU-UHFFFAOYSA-N 0 0 326.356 2.550 10 5 EFBERN Cc1cc(C(=O)N2CC(c3nc(C)cc(C)n3)C2)cc([N+](=O)[O-])c1 ZINC000913612043 725713575 /nfs/dbraw/zinc/71/35/75/725713575.db2.gz ZPZOYYIRQMFQFT-UHFFFAOYSA-N 0 0 326.356 2.550 10 5 EFBERN Cc1sc(C(=O)N2CC(c3nc(C)cc(C)n3)C2)cc1[N+](=O)[O-] ZINC000913612880 725718894 /nfs/dbraw/zinc/71/88/94/725718894.db2.gz LWKTUQKNWIFVPB-UHFFFAOYSA-N 0 0 332.385 2.611 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(n2cccn2)CC1 ZINC000130164671 725726280 /nfs/dbraw/zinc/72/62/80/725726280.db2.gz KUHRUMALYHBDOL-UHFFFAOYSA-N 0 0 339.355 2.750 10 5 EFBERN CC(C)(O)[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000721862346 725734019 /nfs/dbraw/zinc/73/40/19/725734019.db2.gz KZZAWAAWEYWLLL-VIFPVBQESA-N 0 0 329.194 2.955 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000913614217 725736248 /nfs/dbraw/zinc/73/62/48/725736248.db2.gz MQYDZOPKGZAIFO-UHFFFAOYSA-N 0 0 346.774 2.895 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)n1 ZINC000913614055 725736524 /nfs/dbraw/zinc/73/65/24/725736524.db2.gz FVIUZBGVDLZYGT-UHFFFAOYSA-N 0 0 326.356 2.550 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000913614173 725737410 /nfs/dbraw/zinc/73/74/10/725737410.db2.gz KRWGSSCRJGAKIO-UHFFFAOYSA-N 0 0 346.774 2.895 10 5 EFBERN O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913653462 725795789 /nfs/dbraw/zinc/79/57/89/725795789.db2.gz PDJFJCLSKITARY-GLLMWLCCSA-N 0 0 340.738 2.541 10 5 EFBERN CC(C)(C)c1ccccc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000151653011 725802967 /nfs/dbraw/zinc/80/29/67/725802967.db2.gz MKSXKRKUYANKHR-UHFFFAOYSA-N 0 0 344.367 2.797 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000913716731 725830713 /nfs/dbraw/zinc/83/07/13/725830713.db2.gz UIPKZXVIDUTRMZ-SECBINFHSA-N 0 0 329.809 2.846 10 5 EFBERN Nc1c(C(=O)NC2CC3(CSC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000913750316 725845537 /nfs/dbraw/zinc/84/55/37/725845537.db2.gz OJYNKKCBISZKHX-UHFFFAOYSA-N 0 0 343.408 2.956 10 5 EFBERN Cc1cc(Cl)ncc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000753847998 725871829 /nfs/dbraw/zinc/87/18/29/725871829.db2.gz HNOLEBKOBXUDAO-UHFFFAOYSA-N 0 0 334.762 2.781 10 5 EFBERN CC(C)(O)[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913816299 725874398 /nfs/dbraw/zinc/87/43/98/725874398.db2.gz GPZZOPDECCUFTO-VIFPVBQESA-N 0 0 330.743 2.620 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)CCCC(C)(F)F ZINC000913905238 725940160 /nfs/dbraw/zinc/94/01/60/725940160.db2.gz IHXGBCFMTWUXTM-UHFFFAOYSA-N 0 0 336.360 2.792 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000913931172 725956029 /nfs/dbraw/zinc/95/60/29/725956029.db2.gz SMWZYBQPEIYBCX-YPMHNXCESA-N 0 0 338.433 2.590 10 5 EFBERN CC(C)(CCS(=O)(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000913933989 725958451 /nfs/dbraw/zinc/95/84/51/725958451.db2.gz YECRZBCLHBNTDC-UHFFFAOYSA-N 0 0 326.418 2.841 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)Cn1ccc(Br)n1 ZINC000800865854 725996340 /nfs/dbraw/zinc/99/63/40/725996340.db2.gz LMMLDZSVTBAFGA-UHFFFAOYSA-N 0 0 339.193 2.686 10 5 EFBERN CC(F)(F)CCCS(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000914134466 726072124 /nfs/dbraw/zinc/07/21/24/726072124.db2.gz UGWVCTURIOYRNY-UHFFFAOYSA-N 0 0 334.344 2.723 10 5 EFBERN Cc1c(C(=O)N[C@@]2(c3ccccc3)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000914189183 726161933 /nfs/dbraw/zinc/16/19/33/726161933.db2.gz BHQOYJRFWSZEEQ-UJKQEGAGSA-N 0 0 326.352 2.683 10 5 EFBERN COc1ccc(OC)c([C@H]2CCCN2Cn2nccc2[N+](=O)[O-])c1 ZINC000054441798 726183332 /nfs/dbraw/zinc/18/33/32/726183332.db2.gz GWPQLFXTHINGFW-CQSZACIVSA-N 0 0 332.360 2.603 10 5 EFBERN C[C@H](NC(=O)N1CCOC[C@H]1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000914239200 726188679 /nfs/dbraw/zinc/18/86/79/726188679.db2.gz WOARINKIGPIVAC-BLLLJJGKSA-N 0 0 333.388 2.866 10 5 EFBERN C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])n1cccc1 ZINC000729290384 726225087 /nfs/dbraw/zinc/22/50/87/726225087.db2.gz HCMSFFIIDVCPEV-OLZOCXBDSA-N 0 0 345.355 2.918 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000914380466 726269739 /nfs/dbraw/zinc/26/97/39/726269739.db2.gz FKKNLBRPQGLOIV-MRXNPFEDSA-N 0 0 338.429 2.845 10 5 EFBERN O=C(NCC[C@@H]1CCCC1(F)F)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000914416148 726283347 /nfs/dbraw/zinc/28/33/47/726283347.db2.gz JGYSKMOJVSXLQJ-WCQYABFASA-N 0 0 328.315 2.570 10 5 EFBERN CO[C@@H]1CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[C@H]1C ZINC000897506806 726353716 /nfs/dbraw/zinc/35/37/16/726353716.db2.gz JAHPQLJMRSYGAT-IAQYHMDHSA-N 0 0 343.383 2.827 10 5 EFBERN 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10 5 EFBERN O=C(Nc1ncsc1C1CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001583706922 1092059499 /nfs/dbraw/zinc/05/94/99/1092059499.db2.gz BVWBJZQONNVYDQ-UHFFFAOYSA-N 0 0 333.325 2.910 10 5 EFBERN O=C(NCCC[C@H]1C=CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001583731732 1092062026 /nfs/dbraw/zinc/06/20/26/1092062026.db2.gz CKNJLPJIVFKJSI-ZDUSSCGKSA-N 0 0 341.371 2.652 10 5 EFBERN COC[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001583876293 1092080585 /nfs/dbraw/zinc/08/05/85/1092080585.db2.gz BWYONXQOSWUGQV-HNNXBMFYSA-N 0 0 348.330 2.860 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1nnc(C2CC2)s1 ZINC001583930214 1092086226 /nfs/dbraw/zinc/08/62/26/1092086226.db2.gz DHACCQIKUHILMP-UHFFFAOYSA-N 0 0 336.348 2.701 10 5 EFBERN Cc1c(C(=O)NCc2ccc3oc(=O)[nH]c3c2)cccc1[N+](=O)[O-] ZINC001583955615 1092089874 /nfs/dbraw/zinc/08/98/74/1092089874.db2.gz DLLVRZJDGIYKEA-UHFFFAOYSA-N 0 0 327.296 2.680 10 5 EFBERN Cn1ccnc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001583973246 1092092958 /nfs/dbraw/zinc/09/29/58/1092092958.db2.gz FYPHXBUERYZEFS-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN CC[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001584097541 1092110080 /nfs/dbraw/zinc/11/00/80/1092110080.db2.gz VXUPRYPNEJGQRK-KRWDZBQOSA-N 0 0 328.372 2.945 10 5 EFBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001584212489 1092128105 /nfs/dbraw/zinc/12/81/05/1092128105.db2.gz BSVDNSGRAODSMM-LLVKDONJSA-N 0 0 329.312 2.923 10 5 EFBERN CSc1cncc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001584211538 1092128310 /nfs/dbraw/zinc/12/83/10/1092128310.db2.gz KCWIHUKXWWZPSQ-UHFFFAOYSA-N 0 0 334.313 2.872 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cncc2C)cc1OC ZINC001584249741 1092132125 /nfs/dbraw/zinc/13/21/25/1092132125.db2.gz CDPCOGIDYFDBKG-UHFFFAOYSA-N 0 0 345.355 2.688 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 ZINC001584282241 1092138094 /nfs/dbraw/zinc/13/80/94/1092138094.db2.gz LINISPANNZRZBT-BJMVGYQFSA-N 0 0 340.339 2.624 10 5 EFBERN C[C@H](NC(=O)c1ccc(-n2cccn2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001584294511 1092139499 /nfs/dbraw/zinc/13/94/99/1092139499.db2.gz IQJKQLAHEDSRIA-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN COc1cccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1OC ZINC001584305702 1092140826 /nfs/dbraw/zinc/14/08/26/1092140826.db2.gz DHDMTWSKVUWMLI-UHFFFAOYSA-N 0 0 332.312 2.873 10 5 EFBERN COC(=O)c1c(C)c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)ccc1F ZINC001584321417 1092145420 /nfs/dbraw/zinc/14/54/20/1092145420.db2.gz RLZVJDKXRSSZCP-UHFFFAOYSA-N 0 0 347.302 2.785 10 5 EFBERN COC(=O)c1cccc2c1CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001584349576 1092148268 /nfs/dbraw/zinc/14/82/68/1092148268.db2.gz LZIVOQKDMKQFDO-UHFFFAOYSA-N 0 0 340.335 2.580 10 5 EFBERN CSc1ccc(Cl)c(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC001584364232 1092151543 /nfs/dbraw/zinc/15/15/43/1092151543.db2.gz XKPQLKVFZXEHIQ-UHFFFAOYSA-N 0 0 326.765 2.956 10 5 EFBERN CN(C)Cc1csc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC001584394551 1092155532 /nfs/dbraw/zinc/15/55/32/1092155532.db2.gz RZVUEVKFHQYMCG-UHFFFAOYSA-N 0 0 342.327 2.643 10 5 EFBERN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001584450138 1092177315 /nfs/dbraw/zinc/17/73/15/1092177315.db2.gz AHTJIHMFQROPEO-DCGLDWPTSA-N 0 0 340.383 2.947 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CCCC1 ZINC001584473391 1092181263 /nfs/dbraw/zinc/18/12/63/1092181263.db2.gz JJEOTBQDUIRIHX-HNNXBMFYSA-N 0 0 334.372 2.755 10 5 EFBERN Cc1cc(C(=O)NCC(=O)NC2(C)C(C)(C)C2(C)C)ccc1[N+](=O)[O-] ZINC001648362948 1092205895 /nfs/dbraw/zinc/20/58/95/1092205895.db2.gz MODUCROTEXTAKJ-UHFFFAOYSA-N 0 0 347.415 2.574 10 5 EFBERN CC(C)(C)[C@H]1CNC(=O)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001648429999 1092215091 /nfs/dbraw/zinc/21/50/91/1092215091.db2.gz ZTRRKTMYVNSOAE-CYBMUJFWSA-N 0 0 325.796 2.595 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001584614638 1092219509 /nfs/dbraw/zinc/21/95/09/1092219509.db2.gz JWAWREMWTASSDS-LLVKDONJSA-N 0 0 332.335 2.785 10 5 EFBERN C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001584645577 1092232017 /nfs/dbraw/zinc/23/20/17/1092232017.db2.gz YNJSEVCBCXMOTI-NSHDSACASA-N 0 0 339.355 2.694 10 5 EFBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C(N)=O)c1 ZINC001584647286 1092233213 /nfs/dbraw/zinc/23/32/13/1092233213.db2.gz LHFXIHWOICRTAG-UHFFFAOYSA-N 0 0 331.303 2.702 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001648609559 1092238828 /nfs/dbraw/zinc/23/88/28/1092238828.db2.gz WVDZQGXVLMYDOY-ZDUSSCGKSA-N 0 0 345.742 2.541 10 5 EFBERN C[S@@](=O)(=NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1F ZINC001648664957 1092249667 /nfs/dbraw/zinc/24/96/67/1092249667.db2.gz XUXMKTWOBQHFBA-QHCPKHFHSA-N 0 0 337.332 2.613 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NOCCOc1ccccc1 ZINC001648685008 1092250770 /nfs/dbraw/zinc/25/07/70/1092250770.db2.gz KSYGCVORXGYKHX-DHZHZOJOSA-N 0 0 328.324 2.735 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccc[nH]1 ZINC001648694224 1092255604 /nfs/dbraw/zinc/25/56/04/1092255604.db2.gz KCNBQGJHTJWTBW-ZETCQYMHSA-N 0 0 339.149 2.571 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cnn2c1CCCC2 ZINC001648731860 1092262116 /nfs/dbraw/zinc/26/21/16/1092262116.db2.gz MRQPYESEEWHTDF-UHFFFAOYSA-N 0 0 342.355 2.729 10 5 EFBERN C[C@](CO)(NC(=O)c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001648782854 1092269590 /nfs/dbraw/zinc/26/95/90/1092269590.db2.gz KWGIVOFBZZYCOF-GOSISDBHSA-N 0 0 339.351 2.714 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC001584789333 1092285883 /nfs/dbraw/zinc/28/58/83/1092285883.db2.gz HPPWMLLXCXIHOW-UHFFFAOYSA-N 0 0 345.330 2.679 10 5 EFBERN O=C(NC[C@@H]1CSc2ccccc2O1)c1ccccc1[N+](=O)[O-] ZINC001584786520 1092286757 /nfs/dbraw/zinc/28/67/57/1092286757.db2.gz GVKXDODBQHJAOD-LLVKDONJSA-N 0 0 330.365 2.878 10 5 EFBERN COc1cc(C(=O)Nc2cc3ccccc3nn2)c([N+](=O)[O-])cc1F ZINC001584795937 1092288699 /nfs/dbraw/zinc/28/86/99/1092288699.db2.gz FDJHWSRLWBBUHO-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001584824337 1092296516 /nfs/dbraw/zinc/29/65/16/1092296516.db2.gz ITWZSUDGWWWZFF-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1Cc2cc(F)c(F)cc2C1 ZINC001584859457 1092310230 /nfs/dbraw/zinc/31/02/30/1092310230.db2.gz GUNORRDSEMLBGH-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001584981732 1092344654 /nfs/dbraw/zinc/34/46/54/1092344654.db2.gz WTVANYJTWJHSLB-VXGBXAGGSA-N 0 0 341.795 2.556 10 5 EFBERN COc1ccccc1C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001585093729 1092368309 /nfs/dbraw/zinc/36/83/09/1092368309.db2.gz BJFCYTPJHDIPIJ-UHFFFAOYSA-N 0 0 329.356 2.851 10 5 EFBERN CCOC(=O)[C@H](CC)C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001585125637 1092376895 /nfs/dbraw/zinc/37/68/95/1092376895.db2.gz OXUCEXRZDPLSAS-CQSZACIVSA-N 0 0 334.372 2.853 10 5 EFBERN Cn1ccnc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001585147255 1092382804 /nfs/dbraw/zinc/38/28/04/1092382804.db2.gz PFEHHEKCDPAHEW-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001585178575 1092392960 /nfs/dbraw/zinc/39/29/60/1092392960.db2.gz IGMOZFPJHWOJLM-UHFFFAOYSA-N 0 0 348.380 2.782 10 5 EFBERN CCn1cccc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1=O ZINC001585229460 1092411371 /nfs/dbraw/zinc/41/13/71/1092411371.db2.gz DZGJVJTTXHWSEQ-UHFFFAOYSA-N 0 0 335.747 2.991 10 5 EFBERN Cc1cnc(COC(=O)c2cnn(CC3CC3)c2)c(C)c1[N+](=O)[O-] ZINC001585240449 1092415845 /nfs/dbraw/zinc/41/58/45/1092415845.db2.gz SVGJHWDLYASYIM-UHFFFAOYSA-N 0 0 330.344 2.570 10 5 EFBERN Cc1ccccc1C[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001585248935 1092421334 /nfs/dbraw/zinc/42/13/34/1092421334.db2.gz KKVUTVZKTUGVJE-LBPRGKRZSA-N 0 0 341.367 2.819 10 5 EFBERN Cc1cc(Cl)c(C(=O)N2CCC[C@H]2c2nc[nH]n2)cc1[N+](=O)[O-] ZINC001585295540 1092438776 /nfs/dbraw/zinc/43/87/76/1092438776.db2.gz GZUJFLNOMHOJEA-NSHDSACASA-N 0 0 335.751 2.652 10 5 EFBERN COc1cc(OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ccc1F ZINC001585341133 1092454844 /nfs/dbraw/zinc/45/48/44/1092454844.db2.gz VMDRDKFEORBKEY-UHFFFAOYSA-N 0 0 337.307 2.552 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(F)cc1F ZINC001585380632 1092467442 /nfs/dbraw/zinc/46/74/42/1092467442.db2.gz MFVFLWKLZUHEMP-ICFOYXHFSA-N 0 0 348.305 2.736 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCO)c1ccco1 ZINC000588488824 1092474324 /nfs/dbraw/zinc/47/43/24/1092474324.db2.gz SPWDHVAZHGMASK-RUMSDORHSA-N 0 0 330.340 2.831 10 5 EFBERN O=C(NCCc1ccc(F)cc1Cl)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001585538321 1092515889 /nfs/dbraw/zinc/51/58/89/1092515889.db2.gz WVGSCAUCNDSRCX-UHFFFAOYSA-N 0 0 347.133 2.736 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc(F)cc1Cl ZINC001585537689 1092516258 /nfs/dbraw/zinc/51/62/58/1092516258.db2.gz IMBMWLMNAVPTOK-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001585617810 1092525113 /nfs/dbraw/zinc/52/51/13/1092525113.db2.gz VZNXPWUEDRMSLU-UHFFFAOYSA-N 0 0 332.213 2.739 10 5 EFBERN CSCC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001585678604 1092542335 /nfs/dbraw/zinc/54/23/35/1092542335.db2.gz PAYKSQRHMFSHRK-UHFFFAOYSA-N 0 0 339.373 2.718 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1C ZINC001585683188 1092543526 /nfs/dbraw/zinc/54/35/26/1092543526.db2.gz VCHDPTUBYNBCQQ-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN O=C(N[C@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001585712589 1092552999 /nfs/dbraw/zinc/55/29/99/1092552999.db2.gz SFDZYMXQBYIKDN-AWEZNQCLSA-N 0 0 342.311 2.705 10 5 EFBERN Cc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC001585775851 1092570124 /nfs/dbraw/zinc/57/01/24/1092570124.db2.gz XFQOAIZSAWWOCK-UHFFFAOYSA-N 0 0 341.371 2.733 10 5 EFBERN COc1cncc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC001585834225 1092589741 /nfs/dbraw/zinc/58/97/41/1092589741.db2.gz TWEUQYGILRLTHH-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN CC(=O)N[C@@](C)(C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)C(C)C ZINC001585836741 1092591303 /nfs/dbraw/zinc/59/13/03/1092591303.db2.gz HAFAFAILEZYXSX-QGZVFWFLSA-N 0 0 344.371 2.632 10 5 EFBERN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585841543 1092593161 /nfs/dbraw/zinc/59/31/61/1092593161.db2.gz JJIXQLINXNVTDL-RYUDHWBXSA-N 0 0 345.355 2.666 10 5 EFBERN CCn1nc(C)cc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585842607 1092593575 /nfs/dbraw/zinc/59/35/75/1092593575.db2.gz ZPKSKCZKCYUDNP-UHFFFAOYSA-N 0 0 325.328 2.920 10 5 EFBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(C(F)F)n(C)n1 ZINC001585853362 1092598279 /nfs/dbraw/zinc/59/82/79/1092598279.db2.gz LUXCNPZSGSASEM-UHFFFAOYSA-N 0 0 328.250 2.966 10 5 EFBERN CCOc1cc(NC(=O)c2snnc2C2CC2)ccc1[N+](=O)[O-] ZINC001585927135 1092623327 /nfs/dbraw/zinc/62/33/27/1092623327.db2.gz RYTFLNFZQFQREF-UHFFFAOYSA-N 0 0 334.357 2.975 10 5 EFBERN CCOc1cc(NC(=O)c2cnn(C(F)F)c2)ccc1[N+](=O)[O-] ZINC001585926879 1092623792 /nfs/dbraw/zinc/62/37/92/1092623792.db2.gz OEXHEEGYBGJZBZ-UHFFFAOYSA-N 0 0 326.259 2.837 10 5 EFBERN Nc1c(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cccc1[N+](=O)[O-] ZINC001167550735 1092658481 /nfs/dbraw/zinc/65/84/81/1092658481.db2.gz BPAKAQLBDUXCCV-IVMMDQJWSA-N 0 0 343.770 2.899 10 5 EFBERN COCc1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001586033962 1092661613 /nfs/dbraw/zinc/66/16/13/1092661613.db2.gz FYRDXQDGMJLLRY-UHFFFAOYSA-N 0 0 332.268 2.869 10 5 EFBERN CNc1ccc(C(=O)NCc2cccc(OC)c2C)cc1[N+](=O)[O-] ZINC001167551479 1092670137 /nfs/dbraw/zinc/67/01/37/1092670137.db2.gz YDPFUNRFUIWJGB-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN Cc1cnn(C)c1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001586060672 1092670785 /nfs/dbraw/zinc/67/07/85/1092670785.db2.gz MJOFZPOTQSCQQZ-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN CC(C)c1ccc(C(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001586076208 1092672998 /nfs/dbraw/zinc/67/29/98/1092672998.db2.gz BGOWCIJEEYYRDR-RWMBFGLXSA-N 0 0 347.415 2.798 10 5 EFBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1csc(C)c1 ZINC001586117824 1092685579 /nfs/dbraw/zinc/68/55/79/1092685579.db2.gz UQCYHMJSJUGFTL-LLVKDONJSA-N 0 0 337.405 2.836 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC001125585385 1092687180 /nfs/dbraw/zinc/68/71/80/1092687180.db2.gz AGAXZKCZBKEJKN-UHFFFAOYSA-N 0 0 329.287 2.538 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(NC(C)=O)CC1 ZINC001586148527 1092691243 /nfs/dbraw/zinc/69/12/43/1092691243.db2.gz XPYSASAAOLXRBN-UHFFFAOYSA-N 0 0 349.387 2.627 10 5 EFBERN O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1cc(F)ccc1[N+](=O)[O-] ZINC001586185736 1092706173 /nfs/dbraw/zinc/70/61/73/1092706173.db2.gz ABLUXFIUGDNQCQ-AWEZNQCLSA-N 0 0 343.314 2.937 10 5 EFBERN C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Oc1ccccc1 ZINC001586277517 1092717813 /nfs/dbraw/zinc/71/78/13/1092717813.db2.gz YNIYTSIGEFVMIN-LBPRGKRZSA-N 0 0 332.331 2.860 10 5 EFBERN C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Oc1ccccc1 ZINC001586277516 1092718384 /nfs/dbraw/zinc/71/83/84/1092718384.db2.gz YNIYTSIGEFVMIN-GFCCVEGCSA-N 0 0 332.331 2.860 10 5 EFBERN O=C(Nc1ccc2c(c1)CC(=O)N2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001586280620 1092718579 /nfs/dbraw/zinc/71/85/79/1092718579.db2.gz GVXOUPGDLJXRTF-HUUCEWRRSA-N 0 0 337.335 2.832 10 5 EFBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccon1 ZINC001586330332 1092723543 /nfs/dbraw/zinc/72/35/43/1092723543.db2.gz HHLMZLWCITUUIG-UHFFFAOYSA-N 0 0 340.133 2.930 10 5 EFBERN COc1ccc(CSCC(=O)Nc2conc2C)cc1[N+](=O)[O-] ZINC001586345138 1092725189 /nfs/dbraw/zinc/72/51/89/1092725189.db2.gz CGDLAZMHKHTQRO-UHFFFAOYSA-N 0 0 337.357 2.772 10 5 EFBERN Cn1cc(C(=O)NCCc2ccoc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001586387124 1092729972 /nfs/dbraw/zinc/72/99/72/1092729972.db2.gz PYOPLGDGKCGLOX-UHFFFAOYSA-N 0 0 340.339 2.561 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc2c(c1)CCOC2 ZINC001586442827 1092734705 /nfs/dbraw/zinc/73/47/05/1092734705.db2.gz ZEPJMLJBMBVGKZ-UHFFFAOYSA-N 0 0 346.314 2.824 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nccc(C2CC2)n1 ZINC001586457075 1092735445 /nfs/dbraw/zinc/73/54/45/1092735445.db2.gz HACLYTMRHJHEGE-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)CCN2C ZINC001586446498 1092735993 /nfs/dbraw/zinc/73/59/93/1092735993.db2.gz SOOKSAXSOWJYAM-UHFFFAOYSA-N 0 0 344.346 2.842 10 5 EFBERN CC(C)(C)CCCNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001586597507 1092745906 /nfs/dbraw/zinc/74/59/06/1092745906.db2.gz BDJWKNBMYXAWKY-UHFFFAOYSA-N 0 0 345.403 2.791 10 5 EFBERN COC(=O)[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC001586620391 1092747421 /nfs/dbraw/zinc/74/74/21/1092747421.db2.gz SUERVIOLYAJVKC-NSHDSACASA-N 0 0 344.298 2.651 10 5 EFBERN Cc1ncc(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC001586643134 1092748388 /nfs/dbraw/zinc/74/83/88/1092748388.db2.gz ACVVAHLBSZHPGD-UHFFFAOYSA-N 0 0 328.227 2.850 10 5 EFBERN COC(=O)c1cc(C(=O)N(C)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 ZINC001586689357 1092752250 /nfs/dbraw/zinc/75/22/50/1092752250.db2.gz PMTDFFRGZAYKOR-UHFFFAOYSA-N 0 0 344.323 2.667 10 5 EFBERN Cc1noc([C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC001586722633 1092754162 /nfs/dbraw/zinc/75/41/62/1092754162.db2.gz YVIUCAIXSWVNDF-SOUVJXGZSA-N 0 0 344.371 2.903 10 5 EFBERN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721486 1092754256 /nfs/dbraw/zinc/75/42/56/1092754256.db2.gz VOPBCXIBXYJORG-NWDGAFQWSA-N 0 0 345.355 2.666 10 5 EFBERN COc1ccc(F)c(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC001586781692 1092758490 /nfs/dbraw/zinc/75/84/90/1092758490.db2.gz UKHYJDHSBDYPLD-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN COc1c(C(=O)N2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC001586789919 1092759570 /nfs/dbraw/zinc/75/95/70/1092759570.db2.gz RDCMWPAPOWAXDK-UHFFFAOYSA-N 0 0 328.324 2.508 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cccc3[nH]cnc32)cc([N+](=O)[O-])c1 ZINC001586795071 1092759897 /nfs/dbraw/zinc/75/98/97/1092759897.db2.gz DILVPQQNAKFTBW-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN CCn1ncc(C)c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001586922673 1092769972 /nfs/dbraw/zinc/76/99/72/1092769972.db2.gz LIUWGQNGOLRNTM-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN C[C@@H](CC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)n1ccnc1 ZINC001586998756 1092774976 /nfs/dbraw/zinc/77/49/76/1092774976.db2.gz BMDOWVVGFKZAGH-NSHDSACASA-N 0 0 325.328 2.929 10 5 EFBERN NC(=O)c1ccc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])s1 ZINC001587003071 1092775131 /nfs/dbraw/zinc/77/51/31/1092775131.db2.gz SGDHLYQFUKMAFV-UHFFFAOYSA-N 0 0 342.336 2.556 10 5 EFBERN CC(=O)N[C@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC001587002856 1092775258 /nfs/dbraw/zinc/77/52/58/1092775258.db2.gz PBMVOBVLZYTLFL-CQSZACIVSA-N 0 0 344.371 2.632 10 5 EFBERN O=C(NCc1ccccn1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001586997618 1092775635 /nfs/dbraw/zinc/77/56/35/1092775635.db2.gz HZNFDAPWTVUWJJ-UHFFFAOYSA-N 0 0 325.246 2.939 10 5 EFBERN CCOc1cc(NC(=O)c2cc(C(C)=O)cn2C)ccc1[N+](=O)[O-] ZINC001587062991 1092779513 /nfs/dbraw/zinc/77/95/13/1092779513.db2.gz LYCWOLGUEGEKQC-UHFFFAOYSA-N 0 0 331.328 2.787 10 5 EFBERN Nc1c(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001587131569 1092786197 /nfs/dbraw/zinc/78/61/97/1092786197.db2.gz NHBRVYUDIBZNAG-NKWVEPMBSA-N 0 0 349.696 2.697 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2CCSc3ccccc32)cc1[N+](=O)[O-] ZINC001587284874 1092798451 /nfs/dbraw/zinc/79/84/51/1092798451.db2.gz HUGWXTGZYPPQRI-NSHDSACASA-N 0 0 330.369 2.539 10 5 EFBERN COc1cc2ccccc2cc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001587348181 1092804427 /nfs/dbraw/zinc/80/44/27/1092804427.db2.gz KFDITOUBLWOHGG-UHFFFAOYSA-N 0 0 326.312 2.742 10 5 EFBERN COc1cc(Cl)c(Cl)cc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001587348053 1092804674 /nfs/dbraw/zinc/80/46/74/1092804674.db2.gz JFNZVCGQUZQYGF-UHFFFAOYSA-N 0 0 345.142 2.896 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)/C=C\c1ccccc1C(F)(F)F ZINC001587347823 1092804966 /nfs/dbraw/zinc/80/49/66/1092804966.db2.gz CCXJMGNCZNMGMM-SREVYHEPSA-N 0 0 340.261 2.999 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1csc(-c2ccccc2)n1 ZINC001587347790 1092805074 /nfs/dbraw/zinc/80/50/74/1092805074.db2.gz ATGUPXOOLXTZSZ-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]n1 ZINC001587470965 1092814823 /nfs/dbraw/zinc/81/48/23/1092814823.db2.gz HQSTXFHTSCBEKI-UHFFFAOYSA-N 0 0 330.222 2.598 10 5 EFBERN Cc1ccc(CNC(=O)C[C@@H](C)NC(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC001587559664 1092823192 /nfs/dbraw/zinc/82/31/92/1092823192.db2.gz HUNBEMSWLNOHCM-CYBMUJFWSA-N 0 0 347.415 2.604 10 5 EFBERN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccns1 ZINC001587572410 1092824215 /nfs/dbraw/zinc/82/42/15/1092824215.db2.gz QTQXKCDCIVQBRL-SNVBAGLBSA-N 0 0 343.368 2.728 10 5 EFBERN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccns1 ZINC001587572409 1092824458 /nfs/dbraw/zinc/82/44/58/1092824458.db2.gz QTQXKCDCIVQBRL-JTQLQIEISA-N 0 0 343.368 2.728 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC001587585012 1092825667 /nfs/dbraw/zinc/82/56/67/1092825667.db2.gz XQOFWZPZNIVFMG-UHFFFAOYSA-N 0 0 332.335 2.785 10 5 EFBERN Cc1cc(C(=O)NCc2noc3ccc(F)cc23)c(N)c([N+](=O)[O-])c1 ZINC001587586100 1092825796 /nfs/dbraw/zinc/82/57/96/1092825796.db2.gz QVTLOBIESAQDIJ-UHFFFAOYSA-N 0 0 344.302 2.696 10 5 EFBERN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001587649059 1092838142 /nfs/dbraw/zinc/83/81/42/1092838142.db2.gz CYCCZZUGYKMFSS-KRWDZBQOSA-N 0 0 348.786 2.972 10 5 EFBERN COc1c(OC(=O)c2nn(C)cc2[N+](=O)[O-])ccc2ccccc21 ZINC001587700584 1092842601 /nfs/dbraw/zinc/84/26/01/1092842601.db2.gz CBWMKFPQHDHTRF-UHFFFAOYSA-N 0 0 327.296 2.709 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC[C@H](O)C1CCCC1 ZINC001587735848 1092847234 /nfs/dbraw/zinc/84/72/34/1092847234.db2.gz KMFPAUTYJHOLLW-HNNXBMFYSA-N 0 0 340.807 2.848 10 5 EFBERN CCc1c(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cnn1C ZINC001587794676 1092853845 /nfs/dbraw/zinc/85/38/45/1092853845.db2.gz BWZOOHBOWZDTPR-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN Cc1nc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001587805043 1092855342 /nfs/dbraw/zinc/85/53/42/1092855342.db2.gz HVPSFHCKSLZSKR-NSHDSACASA-N 0 0 334.401 2.732 10 5 EFBERN COc1cccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC001587848027 1092860845 /nfs/dbraw/zinc/86/08/45/1092860845.db2.gz BMHFSTLXZORAPM-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC001587864086 1092862248 /nfs/dbraw/zinc/86/22/48/1092862248.db2.gz DGDVUOIYQORJAP-YPMHNXCESA-N 0 0 348.355 2.829 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccccn1 ZINC001587871625 1092862650 /nfs/dbraw/zinc/86/26/50/1092862650.db2.gz AKZFRKSLXFPVLD-UHFFFAOYSA-N 0 0 334.719 2.854 10 5 EFBERN Cn1nc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001587879106 1092863391 /nfs/dbraw/zinc/86/33/91/1092863391.db2.gz KPMDIGDIVOPFCE-QPJJXVBHSA-N 0 0 340.261 2.999 10 5 EFBERN O=C(c1ncc2c(F)cccn21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001587946679 1092871714 /nfs/dbraw/zinc/87/17/14/1092871714.db2.gz WVWPBEVVXXKIKP-UHFFFAOYSA-N 0 0 344.277 2.724 10 5 EFBERN Cc1c(C(=O)NCc2cc(C(F)(F)F)n[nH]2)cccc1[N+](=O)[O-] ZINC001587992580 1092880435 /nfs/dbraw/zinc/88/04/35/1092880435.db2.gz XMLOALNWDSXOLR-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCOC2(C1)CCCCCC2 ZINC001587996064 1092881200 /nfs/dbraw/zinc/88/12/00/1092881200.db2.gz QSOFPNHTRYIHHQ-UHFFFAOYSA-N 0 0 342.783 2.537 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)n1 ZINC001588021373 1092884137 /nfs/dbraw/zinc/88/41/37/1092884137.db2.gz ORXOOMSKUBITQX-BLLLJJGKSA-N 0 0 329.356 2.540 10 5 EFBERN O=C(Nc1cccc2c1OCCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001588088032 1092889848 /nfs/dbraw/zinc/88/98/48/1092889848.db2.gz CEOYKRLRPQQAMD-UHFFFAOYSA-N 0 0 330.296 2.714 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCCC(=O)OC(C)(C)C)n1 ZINC001588081380 1092890243 /nfs/dbraw/zinc/89/02/43/1092890243.db2.gz YJXBEDRDTIMZOW-UHFFFAOYSA-N 0 0 337.376 2.540 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cncc2nc[nH]c21 ZINC001588186538 1092900616 /nfs/dbraw/zinc/90/06/16/1092900616.db2.gz CBDHXARWYUCSQS-UHFFFAOYSA-N 0 0 345.746 2.792 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1ccsn1 ZINC001588201303 1092902182 /nfs/dbraw/zinc/90/21/82/1092902182.db2.gz INIAMDRPTSMJKO-UHFFFAOYSA-N 0 0 342.174 2.995 10 5 EFBERN CN(Cc1ncccn1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001588225574 1092905985 /nfs/dbraw/zinc/90/59/85/1092905985.db2.gz OUGZLSQKLVWCTN-UHFFFAOYSA-N 0 0 349.350 2.719 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001588470179 1092948919 /nfs/dbraw/zinc/94/89/19/1092948919.db2.gz AXCLHEKFKFIEBF-ZBFHGGJFSA-N 0 0 329.331 2.932 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(Sc2n[nH]c(CC)n2)cc1C ZINC001650108408 1092955967 /nfs/dbraw/zinc/95/59/67/1092955967.db2.gz TYVOYYSWBNZYMI-UHFFFAOYSA-N 0 0 336.373 2.912 10 5 EFBERN C/C(=C/C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001670751424 1092977739 /nfs/dbraw/zinc/97/77/39/1092977739.db2.gz QPCFFTYKGDCKEW-WDZFZDKYSA-N 0 0 335.429 2.751 10 5 EFBERN COc1ccc(C[C@H]2CC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001167635576 1093169297 /nfs/dbraw/zinc/16/92/97/1093169297.db2.gz NDLLNUSIZKKDHB-VQIMIIECSA-N 0 0 342.395 2.954 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC=C(Br)C1 ZINC000404196616 1093175434 /nfs/dbraw/zinc/17/54/34/1093175434.db2.gz HYOGBKYDUSSCAW-UHFFFAOYSA-N 0 0 329.125 2.859 10 5 EFBERN CN(CCNC(=O)C1CCC=CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267230541 1093292539 /nfs/dbraw/zinc/29/25/39/1093292539.db2.gz RMBLNWYOZAUMHQ-UHFFFAOYSA-N 0 0 331.416 2.889 10 5 EFBERN CC(=O)N(C)c1ccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000785168551 1093468806 /nfs/dbraw/zinc/46/88/06/1093468806.db2.gz NWLAHAJNBSTEEW-UHFFFAOYSA-N 0 0 342.351 2.977 10 5 EFBERN Cc1nccc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])n1 ZINC001650657588 1093479718 /nfs/dbraw/zinc/47/97/18/1093479718.db2.gz YJSMFXABPPWUFG-UHFFFAOYSA-N 0 0 329.747 2.929 10 5 EFBERN CC(C)CCOCCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001650687894 1093483850 /nfs/dbraw/zinc/48/38/50/1093483850.db2.gz JUCIGZYCVZEPDV-UHFFFAOYSA-N 0 0 348.359 2.948 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cc(C(F)(F)F)n[nH]1 ZINC001650709329 1093484874 /nfs/dbraw/zinc/48/48/74/1093484874.db2.gz YPZLVEQVEMALOA-UHFFFAOYSA-N 0 0 342.277 2.586 10 5 EFBERN COC(=O)Cc1ccc(Nc2ccc3c(c2)CC(=O)N3)c([N+](=O)[O-])c1 ZINC001650762760 1093493128 /nfs/dbraw/zinc/49/31/28/1093493128.db2.gz YOEOZKRPEPVSBH-UHFFFAOYSA-N 0 0 341.323 2.549 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001650777323 1093493694 /nfs/dbraw/zinc/49/36/94/1093493694.db2.gz AMKIAMHCJYENOM-ZJNJWXDTSA-N 0 0 327.344 2.611 10 5 EFBERN O=c1[nH]ccc(NC[C@@H](O)c2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC001650784448 1093494178 /nfs/dbraw/zinc/49/41/78/1093494178.db2.gz LGEWHDSGJIOYSB-SNVBAGLBSA-N 0 0 327.699 2.633 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCCC(C)(C)CO)c2c1 ZINC001650779261 1093494390 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O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(-c2cccs2)on1 ZINC001651129323 1093529767 /nfs/dbraw/zinc/52/97/67/1093529767.db2.gz SBDZIHWJNWINCM-UHFFFAOYSA-N 0 0 333.329 2.537 10 5 EFBERN COC(=O)/C=C/c1ccc(NCCc2cnc(C)cn2)c([N+](=O)[O-])c1 ZINC001651125928 1093529870 /nfs/dbraw/zinc/52/98/70/1093529870.db2.gz JTSQCJVPQIHMCC-GQCTYLIASA-N 0 0 342.355 2.534 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2Cc3ccc(Cl)cc3C2)n1 ZINC001651135778 1093530742 /nfs/dbraw/zinc/53/07/42/1093530742.db2.gz AKBVUVCFCKPHNS-UHFFFAOYSA-N 0 0 333.731 2.950 10 5 EFBERN C=C/C=C\CCNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001651145060 1093531450 /nfs/dbraw/zinc/53/14/50/1093531450.db2.gz ONRURBWTTIIUHE-ARJAWSKDSA-N 0 0 340.177 2.802 10 5 EFBERN CNc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)nc1 ZINC001651153226 1093532520 /nfs/dbraw/zinc/53/25/20/1093532520.db2.gz VOLLXWHPLBDPLL-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1NCc1ccc(-c2nncnn2)cc1 ZINC001651199873 1093539753 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EFBERN C/C(=C/c1ccccn1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001595562557 1094476942 /nfs/dbraw/zinc/47/69/42/1094476942.db2.gz DDIXHVBHBBPKKZ-SEYXRHQNSA-N 0 0 326.356 2.621 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1onc2ccccc21 ZINC001595563495 1094478625 /nfs/dbraw/zinc/47/86/25/1094478625.db2.gz NLNKZCSOHKEVBE-UHFFFAOYSA-N 0 0 326.312 2.578 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCn2ncc(Cl)c21 ZINC001595645948 1094481643 /nfs/dbraw/zinc/48/16/43/1094481643.db2.gz GZYBUUGIHVYHCK-UHFFFAOYSA-N 0 0 338.726 2.943 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001595666716 1094483018 /nfs/dbraw/zinc/48/30/18/1094483018.db2.gz HBOGAHSVGICCKN-SNVBAGLBSA-N 0 0 328.372 2.769 10 5 EFBERN Cc1cc(C)c(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC001595676319 1094483763 /nfs/dbraw/zinc/48/37/63/1094483763.db2.gz OXPAFGSYFCXWKO-UHFFFAOYSA-N 0 0 341.371 2.779 10 5 EFBERN CN(CC(=O)Nc1cccc2nccnc21)c1ccccc1[N+](=O)[O-] ZINC001595828982 1094496779 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C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccns1 ZINC001596079939 1094512439 /nfs/dbraw/zinc/51/24/39/1094512439.db2.gz SKNFUUVRRDZVNB-SNVBAGLBSA-N 0 0 343.368 2.728 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc3c2NC(=O)CO3)c1F ZINC001596163921 1094518391 /nfs/dbraw/zinc/51/83/91/1094518391.db2.gz VRCQXGFLNKFQML-UHFFFAOYSA-N 0 0 345.286 2.626 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(C(C)=O)cc1F ZINC001596200897 1094519377 /nfs/dbraw/zinc/51/93/77/1094519377.db2.gz VXFBNGZFNMDASJ-UHFFFAOYSA-N 0 0 333.275 2.592 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1sccc1OC(F)F ZINC001596200712 1094519499 /nfs/dbraw/zinc/51/94/99/1094519499.db2.gz NPHFGBKPBVYYAX-UHFFFAOYSA-N 0 0 345.283 2.914 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1scnc1C(F)(F)F ZINC001596211017 1094519820 /nfs/dbraw/zinc/51/98/20/1094519820.db2.gz VWEURLQLVIRHDP-UHFFFAOYSA-N 0 0 348.262 2.726 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](c1cccnc1)C(C)C ZINC001596210618 1094519878 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335.385 2.602 10 5 EFBERN CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(=O)OC ZINC001597115498 1094566540 /nfs/dbraw/zinc/56/65/40/1094566540.db2.gz IBKUZRITVCDTIM-UHFFFAOYSA-N 0 0 340.351 2.752 10 5 EFBERN Cc1ccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC001597168489 1094568985 /nfs/dbraw/zinc/56/89/85/1094568985.db2.gz DXEHOHVANMTGFT-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN C/C(=C\C(=O)NC[C@@H](CO)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000785186286 1094569458 /nfs/dbraw/zinc/56/94/58/1094569458.db2.gz QMVCRSXCZFPFCJ-SSUFTNFISA-N 0 0 344.367 2.559 10 5 EFBERN COc1ccc(NC(=O)[C@@H](O)[C@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC001597260608 1094575749 /nfs/dbraw/zinc/57/57/49/1094575749.db2.gz RQMYOUAQUGBKKK-HWPZZCPQSA-N 0 0 348.330 2.846 10 5 EFBERN Cn1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)nc2ccccc21 ZINC001597281293 1094576738 /nfs/dbraw/zinc/57/67/38/1094576738.db2.gz RJTRLCFHFQWSIQ-UHFFFAOYSA-N 0 0 336.311 2.610 10 5 EFBERN CC(=O)Nc1cccc(CC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001597278144 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2.689 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(OC(F)F)c2)n1 ZINC001597622151 1094606999 /nfs/dbraw/zinc/60/69/99/1094606999.db2.gz LAFPASLNOHJVTC-UHFFFAOYSA-N 0 0 344.249 2.804 10 5 EFBERN O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001597617614 1094607101 /nfs/dbraw/zinc/60/71/01/1094607101.db2.gz NXKAYNYLNDZWDX-OAHLLOKOSA-N 0 0 325.324 2.798 10 5 EFBERN Cn1ccnc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001597617263 1094607378 /nfs/dbraw/zinc/60/73/78/1094607378.db2.gz GWKNDOKIGVSCCS-UHFFFAOYSA-N 0 0 344.249 2.522 10 5 EFBERN O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001597617093 1094607596 /nfs/dbraw/zinc/60/75/96/1094607596.db2.gz FRVCMPQUHYBIMK-OAHLLOKOSA-N 0 0 343.314 2.937 10 5 EFBERN C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001597655119 1094610599 /nfs/dbraw/zinc/61/05/99/1094610599.db2.gz AVYNGTAQVABLFV-BONVTDFDSA-N 0 0 326.356 2.625 10 5 EFBERN CC(C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCO1 ZINC001597650621 1094610842 /nfs/dbraw/zinc/61/08/42/1094610842.db2.gz ZXEMFXMDWWHTCM-GWCFXTLKSA-N 0 0 341.795 2.764 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC001597683426 1094613235 /nfs/dbraw/zinc/61/32/35/1094613235.db2.gz FIZPYVQHMMJFRO-UHFFFAOYSA-N 0 0 327.340 2.539 10 5 EFBERN O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001597727270 1094616795 /nfs/dbraw/zinc/61/67/95/1094616795.db2.gz RVKCJOVNBAMSBB-DZGCQCFKSA-N 0 0 334.278 2.936 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001597720244 1094617117 /nfs/dbraw/zinc/61/71/17/1094617117.db2.gz PRFFBSMUFMAPAK-CZUORRHYSA-N 0 0 346.314 2.805 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CCO)C1CCCC1 ZINC001597715794 1094617560 /nfs/dbraw/zinc/61/75/60/1094617560.db2.gz TZNFBXUBLSJPPC-MRXNPFEDSA-N 0 0 348.399 2.615 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001597720245 1094617734 /nfs/dbraw/zinc/61/77/34/1094617734.db2.gz 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RXBBXLQHZXSUAV-UHFFFAOYSA-N 0 0 329.259 2.763 10 5 EFBERN CC[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H]1CC1(C)C ZINC001597967033 1094643981 /nfs/dbraw/zinc/64/39/81/1094643981.db2.gz QDSLTJARZCNZSH-QWHCGFSZSA-N 0 0 343.387 2.730 10 5 EFBERN CC[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1CC1(C)C ZINC001597967032 1094644114 /nfs/dbraw/zinc/64/41/14/1094644114.db2.gz QDSLTJARZCNZSH-OLZOCXBDSA-N 0 0 343.387 2.730 10 5 EFBERN COc1cccc(F)c1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001598173016 1094659932 /nfs/dbraw/zinc/65/99/32/1094659932.db2.gz VXXCCDAVJVAQSC-UHFFFAOYSA-N 0 0 333.319 2.563 10 5 EFBERN CNc1nccc(C(=O)N=[S@](C)(=O)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC001598173018 1094660754 /nfs/dbraw/zinc/66/07/54/1094660754.db2.gz VZKZHGAFRAHPLR-XMMPIXPASA-N 0 0 348.384 2.637 10 5 EFBERN C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC001598177422 1094662062 /nfs/dbraw/zinc/66/20/62/1094662062.db2.gz BWHBJDCQBHDGEY-LLVKDONJSA-N 0 0 328.372 2.730 10 5 EFBERN C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC001598177423 1094662454 /nfs/dbraw/zinc/66/24/54/1094662454.db2.gz BWHBJDCQBHDGEY-NSHDSACASA-N 0 0 328.372 2.730 10 5 EFBERN O=C(NCC1(C2(O)CCC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001598226504 1094664990 /nfs/dbraw/zinc/66/49/90/1094664990.db2.gz RNWMWCWYSUZBDO-UHFFFAOYSA-N 0 0 329.356 2.501 10 5 EFBERN COc1ccc([S@@](C)(=O)=NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001598308816 1094669577 /nfs/dbraw/zinc/66/95/77/1094669577.db2.gz DTINQCRVDZQGDO-HSZRJFAPSA-N 0 0 334.353 2.901 10 5 EFBERN O=C(Nc1ccccc1Oc1ccccn1)c1cc([N+](=O)[O-])n[nH]1 ZINC001598514918 1094682456 /nfs/dbraw/zinc/68/24/56/1094682456.db2.gz JXYGULGFDOLTOH-UHFFFAOYSA-N 0 0 325.284 2.758 10 5 EFBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000785342490 1094952901 /nfs/dbraw/zinc/95/29/01/1094952901.db2.gz HUAFVIVNGHSZIZ-YFKFIEJBSA-N 0 0 330.793 2.633 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000785343860 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338.319 2.799 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001626662454 1099902374 /nfs/dbraw/zinc/90/23/74/1099902374.db2.gz SBBQVHGIWMTISH-AWEZNQCLSA-N 0 0 340.383 2.982 10 5 EFBERN Cc1c(C(=O)Nc2cccc(N(C)C(N)=O)c2)cccc1[N+](=O)[O-] ZINC001626664355 1099904645 /nfs/dbraw/zinc/90/46/45/1099904645.db2.gz HDTVFOJBURRIOR-UHFFFAOYSA-N 0 0 328.328 2.670 10 5 EFBERN COc1ccc2cc(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)ccc2n1 ZINC001626662601 1099904926 /nfs/dbraw/zinc/90/49/26/1099904926.db2.gz USGMTIAVGJZWLY-UHFFFAOYSA-N 0 0 347.718 2.780 10 5 EFBERN Cc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1-c1cccc(C)c1 ZINC001649208615 1099905989 /nfs/dbraw/zinc/90/59/89/1099905989.db2.gz OPTPCEXFBYOXAS-UHFFFAOYSA-N 0 0 326.316 2.577 10 5 EFBERN CCn1cccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O ZINC001626682449 1099906698 /nfs/dbraw/zinc/90/66/98/1099906698.db2.gz WWXADPSQPUGJKY-UHFFFAOYSA-N 0 0 335.747 2.611 10 5 EFBERN Cn1cc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)cn1 ZINC001626707066 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1100238798 /nfs/dbraw/zinc/23/87/98/1100238798.db2.gz BCGRKEFFLLYWTO-XMMPIXPASA-N 0 0 349.368 2.891 10 5 EFBERN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c(OCCC(C)C)c1 ZINC001629714323 1100238825 /nfs/dbraw/zinc/23/88/25/1100238825.db2.gz UCHDLJJSAPHXLN-UHFFFAOYSA-N 0 0 346.387 2.981 10 5 EFBERN COc1cc(C(=O)N2Cc3ccc(O)cc3C2)cc([N+](=O)[O-])c1C ZINC001629785314 1100246194 /nfs/dbraw/zinc/24/61/94/1100246194.db2.gz ZHDIQFYKRMUXTO-UHFFFAOYSA-N 0 0 328.324 2.773 10 5 EFBERN COc1cccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001126528022 1100246363 /nfs/dbraw/zinc/24/63/63/1100246363.db2.gz VPVIQFYZWNVECJ-GFCCVEGCSA-N 0 0 345.355 2.504 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]2COC[C@H]21 ZINC001629795374 1100247286 /nfs/dbraw/zinc/24/72/86/1100247286.db2.gz QPBXMXGCNSRSHJ-QWHCGFSZSA-N 0 0 336.413 2.814 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC001629848137 1100252475 /nfs/dbraw/zinc/25/24/75/1100252475.db2.gz KXKFPFWXONWMNK-GFCCVEGCSA-N 0 0 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1100283087 /nfs/dbraw/zinc/28/30/87/1100283087.db2.gz KQQFJIBGVIYQTL-CVEARBPZSA-N 0 0 347.346 2.558 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H](c2ccsc2)O1 ZINC001630238027 1100286499 /nfs/dbraw/zinc/28/64/99/1100286499.db2.gz ARZLPAZVJMXFSQ-MEBBXXQBSA-N 0 0 347.396 2.841 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)CCc2ccc(O)cc2)n1 ZINC001630327103 1100294699 /nfs/dbraw/zinc/29/46/99/1100294699.db2.gz ZYWUWMXSHQQNBA-LLVKDONJSA-N 0 0 329.356 2.755 10 5 EFBERN Cc1ccnc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC001630333562 1100296280 /nfs/dbraw/zinc/29/62/80/1100296280.db2.gz CEYKTNCSKHHZFZ-GFCCVEGCSA-N 0 0 339.355 2.525 10 5 EFBERN CCOc1cc(F)ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630360891 1100298626 /nfs/dbraw/zinc/29/86/26/1100298626.db2.gz KMSLRHRRUFJLRJ-HNNXBMFYSA-N 0 0 334.303 2.805 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cn1 ZINC001630424917 1100305363 /nfs/dbraw/zinc/30/53/63/1100305363.db2.gz PNUXHFVUPCNUOG-UHFFFAOYSA-N 0 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ZINC001630713319 1100332931 /nfs/dbraw/zinc/33/29/31/1100332931.db2.gz GOSDPWCYGDBWLY-BZNIZROVSA-N 0 0 332.331 2.515 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(c2ccccc2)CC1 ZINC001630718526 1100333804 /nfs/dbraw/zinc/33/38/04/1100333804.db2.gz ZPULZHFFBWSBLE-UHFFFAOYSA-N 0 0 340.383 2.530 10 5 EFBERN CC(C)(C)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001630767698 1100337376 /nfs/dbraw/zinc/33/73/76/1100337376.db2.gz PDRNJNJETJQVQV-UHFFFAOYSA-N 0 0 325.796 2.805 10 5 EFBERN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001630792283 1100340396 /nfs/dbraw/zinc/34/03/96/1100340396.db2.gz CQXGCNMLGLEVPW-UWVGGRQHSA-N 0 0 345.330 2.983 10 5 EFBERN Cc1cc(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)c(N)c([N+](=O)[O-])c1 ZINC001630796559 1100341864 /nfs/dbraw/zinc/34/18/64/1100341864.db2.gz ATIAWHWGYCULDD-GOEBONIOSA-N 0 0 333.388 2.563 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC001630848561 1100346382 /nfs/dbraw/zinc/34/63/82/1100346382.db2.gz PBOACSNMBJXDFR-HNNXBMFYSA-N 0 0 334.303 2.849 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1[C@H]1CCC(=O)N1 ZINC001630858343 1100347095 /nfs/dbraw/zinc/34/70/95/1100347095.db2.gz JNTRCGDOVZDNPR-OAHLLOKOSA-N 0 0 339.351 2.727 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc2c(F)cccn21 ZINC001630891374 1100351380 /nfs/dbraw/zinc/35/13/80/1100351380.db2.gz ZOVRFRUUYGWMKJ-UHFFFAOYSA-N 0 0 329.291 2.676 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(C(=O)OC)c1 ZINC001630890745 1100351891 /nfs/dbraw/zinc/35/18/91/1100351891.db2.gz LWCWIWXTXQCOSI-UHFFFAOYSA-N 0 0 343.339 2.984 10 5 EFBERN CC(C)(CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001630945705 1100354948 /nfs/dbraw/zinc/35/49/48/1100354948.db2.gz UFZHRQNOZWAQMS-UHFFFAOYSA-N 0 0 328.372 2.670 10 5 EFBERN O=C(C[C@H]1CCCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC001631040382 1100364198 /nfs/dbraw/zinc/36/41/98/1100364198.db2.gz ZUGSQNFMAGANAH-LLVKDONJSA-N 0 0 346.343 2.569 10 5 EFBERN O=C(N[C@H]1CCc2cc(F)ccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001631034376 1100364428 /nfs/dbraw/zinc/36/44/28/1100364428.db2.gz QBHQMULYUROVBE-HOTGVXAUSA-N 0 0 330.315 2.571 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)n1 ZINC001631093944 1100369417 /nfs/dbraw/zinc/36/94/17/1100369417.db2.gz UAIKWSLPSUVMMR-ZDUSSCGKSA-N 0 0 327.340 2.634 10 5 EFBERN C/C(=C\c1ccccn1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001631093978 1100369545 /nfs/dbraw/zinc/36/95/45/1100369545.db2.gz GPINZMQAUHXPQK-UXBLZVDNSA-N 0 0 333.294 2.988 10 5 EFBERN O=C(N[C@@H](CO)c1ccccc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001631184358 1100378098 /nfs/dbraw/zinc/37/80/98/1100378098.db2.gz JCKJDDCBOYFDHN-LBPRGKRZSA-N 0 0 338.722 2.851 10 5 EFBERN COc1ccc(NC(=O)c2ccc3c(c2)N(C)CCO3)cc1[N+](=O)[O-] ZINC001631346900 1100390407 /nfs/dbraw/zinc/39/04/07/1100390407.db2.gz AMDMNEVPAWYUIF-UHFFFAOYSA-N 0 0 343.339 2.684 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001631432222 1100397935 /nfs/dbraw/zinc/39/79/35/1100397935.db2.gz SCYPXRUZVKEDHM-UHFFFAOYSA-N 0 0 330.315 2.909 10 5 EFBERN CC(C)c1nc([C@H](CO)NC(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC001631475976 1100401334 /nfs/dbraw/zinc/40/13/34/1100401334.db2.gz JOWIIKKFMJLJPH-QMMMGPOBSA-N 0 0 341.414 2.700 10 5 EFBERN C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001631531880 1100408443 /nfs/dbraw/zinc/40/84/43/1100408443.db2.gz CTRIVDPRSKLPEP-UHFFFAOYSA-N 0 0 329.356 2.509 10 5 EFBERN CO[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001631692759 1100420339 /nfs/dbraw/zinc/42/03/39/1100420339.db2.gz RKSUZBOKEDOTDW-BXUZGUMPSA-N 0 0 326.780 2.722 10 5 EFBERN COc1c[nH]nc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001631759119 1100424636 /nfs/dbraw/zinc/42/46/36/1100424636.db2.gz VXBHTKVUHFFHCL-UHFFFAOYSA-N 0 0 330.222 2.598 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC001631751489 1100424726 /nfs/dbraw/zinc/42/47/26/1100424726.db2.gz YLJPIDUOIAPNOS-VIFPVBQESA-N 0 0 336.779 2.570 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001631825481 1100430820 /nfs/dbraw/zinc/43/08/20/1100430820.db2.gz HRFPNMXXMJLQHX-LBPRGKRZSA-N 0 0 344.371 2.578 10 5 EFBERN CCOC(=O)C1(NC(=O)c2csc([N+](=O)[O-])c2)CCCCC1 ZINC000046278191 1100438258 /nfs/dbraw/zinc/43/82/58/1100438258.db2.gz NVZDVVLLJQWFTP-UHFFFAOYSA-N 0 0 326.374 2.652 10 5 EFBERN O=C(Nc1nncn1-c1ccccc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001632043847 1100449518 /nfs/dbraw/zinc/44/95/18/1100449518.db2.gz WUWDWEQSAIUTSU-JKSUJKDBSA-N 0 0 349.350 2.918 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CCOC2 ZINC001632260185 1100462650 /nfs/dbraw/zinc/46/26/50/1100462650.db2.gz JTPNUGZXCYJTHW-UHFFFAOYSA-N 0 0 338.323 2.796 10 5 EFBERN Cc1noc(-c2ccccc2)c1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001632366585 1100469280 /nfs/dbraw/zinc/46/92/80/1100469280.db2.gz UOJFMRDTRKCZGL-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN CSc1ccc(C(=O)N2c3ccccc3C[C@H]2CO)cc1[N+](=O)[O-] ZINC001632534241 1100480502 /nfs/dbraw/zinc/48/05/02/1100480502.db2.gz BMDHKFTTZYDTCN-ZDUSSCGKSA-N 0 0 344.392 2.881 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1n[nH]c2ccc(F)cc21 ZINC001632552606 1100484039 /nfs/dbraw/zinc/48/40/39/1100484039.db2.gz VHEWZKIDSQHIFI-UHFFFAOYSA-N 0 0 332.266 2.931 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cc(N(C)C)ccn2)c1F ZINC001632650860 1100490844 /nfs/dbraw/zinc/49/08/44/1100490844.db2.gz LGYCTHBKHAPBIO-UHFFFAOYSA-N 0 0 336.298 2.895 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](n2ccnc2)C1 ZINC001632658784 1100491378 /nfs/dbraw/zinc/49/13/78/1100491378.db2.gz SGSZFEVMXOXFRI-LLVKDONJSA-N 0 0 334.763 2.922 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(CO)cc1 ZINC001632691950 1100493802 /nfs/dbraw/zinc/49/38/02/1100493802.db2.gz BSFKQSVXWRRRAM-UHFFFAOYSA-N 0 0 348.786 2.642 10 5 EFBERN C[C@@]1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC001632738305 1100497287 /nfs/dbraw/zinc/49/72/87/1100497287.db2.gz VQZLEXODRWNPQE-DZGCQCFKSA-N 0 0 339.779 2.518 10 5 EFBERN Cc1cnccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001632903331 1100508326 /nfs/dbraw/zinc/50/83/26/1100508326.db2.gz CTEPJGTUHHWDPZ-UHFFFAOYSA-N 0 0 325.246 2.991 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2cncnc21 ZINC001633009027 1100516236 /nfs/dbraw/zinc/51/62/36/1100516236.db2.gz UMKOLARJPNCJAC-SNVBAGLBSA-N 0 0 346.774 2.727 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCc1ccns1 ZINC001633068123 1100519991 /nfs/dbraw/zinc/51/99/91/1100519991.db2.gz BNODTZAMWQWJOW-UHFFFAOYSA-N 0 0 325.777 2.954 10 5 EFBERN O=C(Nc1cc(Br)c(F)cc1F)c1c[nH]nc1[N+](=O)[O-] ZINC001633141515 1100525502 /nfs/dbraw/zinc/52/55/02/1100525502.db2.gz CJZDOLWXIIUDKE-UHFFFAOYSA-N 0 0 347.075 2.611 10 5 EFBERN O=C(c1cnc2n[nH]cc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001633166320 1100526129 /nfs/dbraw/zinc/52/61/29/1100526129.db2.gz ZATQGHWNVCQJKY-UHFFFAOYSA-N 0 0 337.339 2.671 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1Cc2ccc(O)cc2C1 ZINC001633328785 1100536813 /nfs/dbraw/zinc/53/68/13/1100536813.db2.gz FHKVQVWUURCSJA-UHFFFAOYSA-N 0 0 330.365 2.935 10 5 EFBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ncccc1F ZINC001633462780 1100543726 /nfs/dbraw/zinc/54/37/26/1100543726.db2.gz SKFJGUSNVSDCIJ-UHFFFAOYSA-N 0 0 327.275 2.771 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001633587231 1100551840 /nfs/dbraw/zinc/55/18/40/1100551840.db2.gz AAWQNLHDIBHVCM-GXFFZTMASA-N 0 0 339.779 2.518 10 5 EFBERN COc1nscc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001633608175 1100554050 /nfs/dbraw/zinc/55/40/50/1100554050.db2.gz CDBIMWMKHUBGDG-UHFFFAOYSA-N 0 0 340.336 2.517 10 5 EFBERN O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC001633630806 1100555899 /nfs/dbraw/zinc/55/58/99/1100555899.db2.gz VYCPSKLFOKSSFO-SNVBAGLBSA-N 0 0 345.138 2.958 10 5 EFBERN CCc1cnc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)o1 ZINC001633649203 1100556620 /nfs/dbraw/zinc/55/66/20/1100556620.db2.gz RUPXAEQOZUTSKP-UHFFFAOYSA-N 0 0 327.699 2.868 10 5 EFBERN Cc1cccc(C(=O)N[C@H](CO)c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC001633644302 1100556851 /nfs/dbraw/zinc/55/68/51/1100556851.db2.gz DGXILWGYUOJTPJ-CQSZACIVSA-N 0 0 336.294 2.645 10 5 EFBERN O=C(Cc1nc(C(F)(F)F)cs1)NCc1cccc([N+](=O)[O-])c1 ZINC001633761852 1100564149 /nfs/dbraw/zinc/56/41/49/1100564149.db2.gz SILDMGQFYCJUBU-UHFFFAOYSA-N 0 0 345.302 2.929 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC001633786815 1100565180 /nfs/dbraw/zinc/56/51/80/1100565180.db2.gz HYOXGVDPDKDVJN-AWEZNQCLSA-N 0 0 348.786 2.890 10 5 EFBERN COc1ccc(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1O ZINC001633796709 1100566284 /nfs/dbraw/zinc/56/62/84/1100566284.db2.gz CXKMOCVFWSAGPN-UHFFFAOYSA-N 0 0 344.367 2.601 10 5 EFBERN Cc1cccc2c1CCC[C@H]2NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001633835403 1100568776 /nfs/dbraw/zinc/56/87/76/1100568776.db2.gz CDPXFOMLKWEUNC-CQSZACIVSA-N 0 0 326.356 2.688 10 5 EFBERN Cc1cccc2c1CCC[C@@H]2NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001633835402 1100568834 /nfs/dbraw/zinc/56/88/34/1100568834.db2.gz CDPXFOMLKWEUNC-AWEZNQCLSA-N 0 0 326.356 2.688 10 5 EFBERN Cc1cccnc1[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(C)C ZINC001633843946 1100570034 /nfs/dbraw/zinc/57/00/34/1100570034.db2.gz ZADDBQUAMULDTG-SNVBAGLBSA-N 0 0 337.767 2.802 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2ccc3c(n2)CCCC3)c1[N+](=O)[O-] ZINC001633921146 1100574752 /nfs/dbraw/zinc/57/47/52/1100574752.db2.gz UNDVJNJCHRKBAZ-UHFFFAOYSA-N 0 0 329.360 2.967 10 5 EFBERN O=C(N[C@@H]1CCn2cncc21)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001634084897 1100583901 /nfs/dbraw/zinc/58/39/01/1100583901.db2.gz KOGUPHHFZHWVRL-CQSZACIVSA-N 0 0 349.350 2.728 10 5 EFBERN CN(C)c1nc2cc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2[nH]1 ZINC001634096064 1100584474 /nfs/dbraw/zinc/58/44/74/1100584474.db2.gz XIZCNAAXGIBHMV-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CO)c(CO)c1 ZINC001634105978 1100584620 /nfs/dbraw/zinc/58/46/20/1100584620.db2.gz TVWYYCCDIXQEBW-UHFFFAOYSA-N 0 0 348.380 2.554 10 5 EFBERN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001634151643 1100588600 /nfs/dbraw/zinc/58/86/00/1100588600.db2.gz PUPMTFUMGGTTEE-HNNXBMFYSA-N 0 0 343.387 2.882 10 5 EFBERN CC(C)[C@H]1C[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC001634186772 1100589493 /nfs/dbraw/zinc/58/94/93/1100589493.db2.gz HOKNUHQHWGZGMB-XHDPSFHLSA-N 0 0 346.387 2.539 10 5 EFBERN O=C(C=CC=C(Cl)Cl)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634187271 1100590094 /nfs/dbraw/zinc/59/00/94/1100590094.db2.gz VWAPBUORLQANEJ-HNQUOIGGSA-N 0 0 341.154 2.963 10 5 EFBERN CC(C)(CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)n1cccn1 ZINC001634248050 1100593180 /nfs/dbraw/zinc/59/31/80/1100593180.db2.gz VYAGBEBBZIIZIR-UHFFFAOYSA-N 0 0 336.779 2.539 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC001634277369 1100595483 /nfs/dbraw/zinc/59/54/83/1100595483.db2.gz YOGGXRLJZDOHKQ-UHFFFAOYSA-N 0 0 341.795 2.646 10 5 EFBERN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001634297778 1100597654 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2.806 10 5 EFBERN O=Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC001634498338 1100612418 /nfs/dbraw/zinc/61/24/18/1100612418.db2.gz MWXQVXJDTWRSCP-UHFFFAOYSA-N 0 0 344.323 2.684 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001634633834 1100620753 /nfs/dbraw/zinc/62/07/53/1100620753.db2.gz DEUSZTYGMQZUIY-XHDPSFHLSA-N 0 0 344.371 2.969 10 5 EFBERN CC(C)c1cc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)no1 ZINC001634642743 1100621447 /nfs/dbraw/zinc/62/14/47/1100621447.db2.gz QMXDGLZBOVXXFX-UHFFFAOYSA-N 0 0 333.329 2.963 10 5 EFBERN C[C@H](O)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634651112 1100622439 /nfs/dbraw/zinc/62/24/39/1100622439.db2.gz XFGXKOLTFXNZHN-AAEUAGOBSA-N 0 0 340.807 2.943 10 5 EFBERN Cc1ccc(C)c(C(=O)CNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001634759348 1100628623 /nfs/dbraw/zinc/62/86/23/1100628623.db2.gz JVVZRTIBEAVAEO-UHFFFAOYSA-N 0 0 326.352 2.753 10 5 EFBERN CC[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC001634764444 1100628707 /nfs/dbraw/zinc/62/87/07/1100628707.db2.gz XVVXTJCNXOSLJL-QWRGUYRKSA-N 0 0 331.376 2.801 10 5 EFBERN CN1CCOc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3F)ccc21 ZINC001634776971 1100629319 /nfs/dbraw/zinc/62/93/19/1100629319.db2.gz DNFXVZHPQHRGCI-UHFFFAOYSA-N 0 0 331.303 2.815 10 5 EFBERN CN1CCOc2cc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])ccc21 ZINC001634777604 1100629498 /nfs/dbraw/zinc/62/94/98/1100629498.db2.gz QJWQJIDXWYLFQW-UHFFFAOYSA-N 0 0 345.330 2.744 10 5 EFBERN Cc1cccc2ncc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n21 ZINC001634861386 1100633153 /nfs/dbraw/zinc/63/31/53/1100633153.db2.gz SNENTEZGUDNLSH-UHFFFAOYSA-N 0 0 338.367 2.866 10 5 EFBERN C[C@@H]1COCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634884623 1100633909 /nfs/dbraw/zinc/63/39/09/1100633909.db2.gz JEUKFSUGXNVWEG-ZYHUDNBSSA-N 0 0 326.780 2.580 10 5 EFBERN C[C@H]1COCC[C@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634884620 1100633968 /nfs/dbraw/zinc/63/39/68/1100633968.db2.gz JEUKFSUGXNVWEG-JQWIXIFHSA-N 0 0 326.780 2.580 10 5 EFBERN C[C@@H]1COCC[C@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634884622 1100634133 /nfs/dbraw/zinc/63/41/33/1100634133.db2.gz JEUKFSUGXNVWEG-PWSUYJOCSA-N 0 0 326.780 2.580 10 5 EFBERN CCC1(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001634956129 1100637827 /nfs/dbraw/zinc/63/78/27/1100637827.db2.gz RULLFUOGBGYMHD-UHFFFAOYSA-N 0 0 329.356 2.828 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CCC(C)(C)C ZINC001635088876 1100643803 /nfs/dbraw/zinc/64/38/03/1100643803.db2.gz PXUQERXJQZLOFU-LLVKDONJSA-N 0 0 326.368 2.959 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(F)(F)OC(F)(F)C1 ZINC001635230928 1100650065 /nfs/dbraw/zinc/65/00/65/1100650065.db2.gz CMIWQXNRHGEUED-UHFFFAOYSA-N 0 0 340.204 2.700 10 5 EFBERN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OC1CCCCC1 ZINC001635265673 1100652596 /nfs/dbraw/zinc/65/25/96/1100652596.db2.gz ISZQPRJLYGDFKD-UHFFFAOYSA-N 0 0 340.763 2.854 10 5 EFBERN Cc1ncoc1-c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC001635288326 1100653135 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329.234 2.574 10 5 EFBERN O=C(NCCCc1ccccc1F)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001635726558 1100676585 /nfs/dbraw/zinc/67/65/85/1100676585.db2.gz UUDPHSXIURVVCW-MRXNPFEDSA-N 0 0 332.331 2.516 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CC1)c1cccc(F)c1 ZINC001635735403 1100676690 /nfs/dbraw/zinc/67/66/90/1100676690.db2.gz LDLOHENQZMBORR-UHFFFAOYSA-N 0 0 330.319 2.768 10 5 EFBERN CC(C)(C)c1ccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC001635774744 1100678482 /nfs/dbraw/zinc/67/84/82/1100678482.db2.gz PYRXMLXFOBSHAN-OAHLLOKOSA-N 0 0 332.356 2.835 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1nc2c([nH]1)CCCC2 ZINC001635854871 1100684811 /nfs/dbraw/zinc/68/48/11/1100684811.db2.gz UENFJODXAGKSOB-UHFFFAOYSA-N 0 0 348.790 2.709 10 5 EFBERN Cn1nc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1C1CC1 ZINC001635884175 1100685893 /nfs/dbraw/zinc/68/58/93/1100685893.db2.gz ICNNSPGUSMQNMH-UHFFFAOYSA-N 0 0 339.355 2.617 10 5 EFBERN Cc1cc(C=O)c(O)c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001635926824 1100687708 /nfs/dbraw/zinc/68/77/08/1100687708.db2.gz TWTWCLUDNSIBAH-UHFFFAOYSA-N 0 0 328.324 2.660 10 5 EFBERN Cc1ccc(CNC(=O)c2ccnc(-c3ncc[nH]3)c2)cc1[N+](=O)[O-] ZINC001635927641 1100687726 /nfs/dbraw/zinc/68/77/26/1100687726.db2.gz YFVGXXKXDZGIMV-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN Cc1ccc(CNC(=O)CNC(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001635925617 1100687951 /nfs/dbraw/zinc/68/79/51/1100687951.db2.gz FNZHCLCSRKZIBZ-UHFFFAOYSA-N 0 0 347.415 2.606 10 5 EFBERN Cc1csc(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC001635966867 1100690229 /nfs/dbraw/zinc/69/02/29/1100690229.db2.gz BJRXPVWVOTVIIE-UHFFFAOYSA-N 0 0 334.382 2.899 10 5 EFBERN CC[C@H](C)[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)OC ZINC001635987284 1100691033 /nfs/dbraw/zinc/69/10/33/1100691033.db2.gz SLPNTVOPRRQFET-XVKPBYJWSA-N 0 0 347.774 2.760 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC001635995244 1100691771 /nfs/dbraw/zinc/69/17/71/1100691771.db2.gz YURMIOJQCDJARJ-QMTHXVAHSA-N 0 0 327.340 2.819 10 5 EFBERN COC(=O)C[C@](C)(NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC001636021865 1100694493 /nfs/dbraw/zinc/69/44/93/1100694493.db2.gz ORYNPOUKSWQQPY-KRWDZBQOSA-N 0 0 345.355 2.538 10 5 EFBERN Cn1ncc2c1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC001636025454 1100694641 /nfs/dbraw/zinc/69/46/41/1100694641.db2.gz CDKFFSYXOQFYQU-UHFFFAOYSA-N 0 0 328.353 2.699 10 5 EFBERN CCOc1nc2cc(NC(=O)c3c(N)cccc3[N+](=O)[O-])ccc2o1 ZINC001636034618 1100695333 /nfs/dbraw/zinc/69/53/33/1100695333.db2.gz FGPNDSWZLCKQAQ-UHFFFAOYSA-N 0 0 342.311 2.969 10 5 EFBERN CC(C)OC(=O)[C@H](C)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636104526 1100700487 /nfs/dbraw/zinc/70/04/87/1100700487.db2.gz VIYNJXATDWOXBR-JTQLQIEISA-N 0 0 342.779 2.589 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCCc2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC001636100294 1100701071 /nfs/dbraw/zinc/70/10/71/1100701071.db2.gz ZMYRYLAFZVMOTM-UHFFFAOYSA-N 0 0 335.747 2.630 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](CO)c1ccccc1 ZINC001636137511 1100702305 /nfs/dbraw/zinc/70/23/05/1100702305.db2.gz DLECLYHESNJVNK-ZDUSSCGKSA-N 0 0 332.331 2.548 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](CO)c1ccccc1 ZINC001636137510 1100702447 /nfs/dbraw/zinc/70/24/47/1100702447.db2.gz DLECLYHESNJVNK-CYBMUJFWSA-N 0 0 332.331 2.548 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1nccn1C(F)F ZINC001636273237 1100710347 /nfs/dbraw/zinc/71/03/47/1100710347.db2.gz QGCBTKGFIFYXLQ-UHFFFAOYSA-N 0 0 342.277 2.606 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C(F)(F)F)n[nH]1 ZINC001636293119 1100711029 /nfs/dbraw/zinc/71/10/29/1100711029.db2.gz MHGGNZNDIXOIDJ-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN C[C@H](CNC(=O)c1ccc(NC(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001636285016 1100711061 /nfs/dbraw/zinc/71/10/61/1100711061.db2.gz ZAYJAGVNULOMQO-LLVKDONJSA-N 0 0 342.355 2.619 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001636326594 1100713616 /nfs/dbraw/zinc/71/36/16/1100713616.db2.gz ZSKWPUSMXVIYJO-HZMBPMFUSA-N 0 0 326.780 2.919 10 5 EFBERN Cc1nc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cs1 ZINC000050708725 1100717695 /nfs/dbraw/zinc/71/76/95/1100717695.db2.gz AVIUYPJLUGGSJA-UHFFFAOYSA-N 0 0 326.765 2.525 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCC3(CCC3)O2)c1[N+](=O)[O-] ZINC001636414974 1100718116 /nfs/dbraw/zinc/71/81/16/1100718116.db2.gz PZLMKCITUWIRSR-NSHDSACASA-N 0 0 336.392 2.663 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCc2cccc3[nH]ccc32)c1[N+](=O)[O-] ZINC001636427480 1100718324 /nfs/dbraw/zinc/71/83/24/1100718324.db2.gz AIPSONBILHNWLE-UHFFFAOYSA-N 0 0 327.344 2.853 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCC(=O)c2cncs2)cc1[N+](=O)[O-] ZINC001636437298 1100719632 /nfs/dbraw/zinc/71/96/32/1100719632.db2.gz NFSVVMLSKHECCP-UHFFFAOYSA-N 0 0 339.760 2.626 10 5 EFBERN CC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001636486530 1100721785 /nfs/dbraw/zinc/72/17/85/1100721785.db2.gz VFSMGXQMXYXICC-LBPRGKRZSA-N 0 0 344.371 2.833 10 5 EFBERN O=C(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CC1CCCCC1 ZINC001636490883 1100721793 /nfs/dbraw/zinc/72/17/93/1100721793.db2.gz BHGPNBDWQRLJPM-UHFFFAOYSA-N 0 0 344.371 2.740 10 5 EFBERN CC(C)(NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ncc[nH]1 ZINC001636578520 1100726969 /nfs/dbraw/zinc/72/69/69/1100726969.db2.gz YNMPWLHZRKIAMQ-UHFFFAOYSA-N 0 0 336.779 2.955 10 5 EFBERN Nc1c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)cccc1[N+](=O)[O-] ZINC001636614136 1100730089 /nfs/dbraw/zinc/73/00/89/1100730089.db2.gz VFSHOTCQJQLUKN-XJKSGUPXSA-N 0 0 329.331 2.932 10 5 EFBERN Cc1nocc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001636610469 1100730322 /nfs/dbraw/zinc/73/03/22/1100730322.db2.gz DGPRIZNFFHAAQK-UHFFFAOYSA-N 0 0 327.699 2.543 10 5 EFBERN Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001636723785 1100734281 /nfs/dbraw/zinc/73/42/81/1100734281.db2.gz AXKGCZGISGXJSY-SJKOYZFVSA-N 0 0 343.383 2.897 10 5 EFBERN O=C(Nc1c[nH]nc1-c1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001636721949 1100734415 /nfs/dbraw/zinc/73/44/15/1100734415.db2.gz FVWCYMZZMZSBDV-INIZCTEOSA-N 0 0 338.323 2.657 10 5 EFBERN Cc1ccc(NC(=O)c2cccn(CC(C)C)c2=O)c(N)c1[N+](=O)[O-] ZINC001636729550 1100735075 /nfs/dbraw/zinc/73/50/75/1100735075.db2.gz ZZGSYFQHYFTEDW-UHFFFAOYSA-N 0 0 344.371 2.555 10 5 EFBERN COc1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1C ZINC001636730834 1100735327 /nfs/dbraw/zinc/73/53/27/1100735327.db2.gz NBNOGIDDKHXRPG-MRXNPFEDSA-N 0 0 346.339 2.593 10 5 EFBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1ccns1 ZINC001636817991 1100739665 /nfs/dbraw/zinc/73/96/65/1100739665.db2.gz JXRFCECPIPIWTB-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN CN(C)c1cccnc1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001636949766 1100746926 /nfs/dbraw/zinc/74/69/26/1100746926.db2.gz ZKWGDHNKRGINAV-UHFFFAOYSA-N 0 0 334.763 2.639 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001637016853 1100751180 /nfs/dbraw/zinc/75/11/80/1100751180.db2.gz RSFPSDCYPUARKJ-UHFFFAOYSA-N 0 0 334.759 2.713 10 5 EFBERN O=C(NCc1ccc2[nH]cnc2c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001637157526 1100761357 /nfs/dbraw/zinc/76/13/57/1100761357.db2.gz BXTNWNGXVOYVBW-CABCVRRESA-N 0 0 336.351 2.891 10 5 EFBERN CCn1ncc2cc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)c(C)nc21 ZINC001637201563 1100764041 /nfs/dbraw/zinc/76/40/41/1100764041.db2.gz WNARSXJMCXZSEL-UHFFFAOYSA-N 0 0 340.343 2.502 10 5 EFBERN Nc1ccc(NC(=O)[C@]2(c3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC001637200610 1100764457 /nfs/dbraw/zinc/76/44/57/1100764457.db2.gz NWZABUVBVGKNKS-QGZVFWFLSA-N 0 0 327.340 2.821 10 5 EFBERN Nc1ccc(NC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC001637201177 1100764513 /nfs/dbraw/zinc/76/45/13/1100764513.db2.gz SJTLFQPLESQDAA-KWQFWETISA-N 0 0 333.266 2.616 10 5 EFBERN Cc1n[nH]c(C(=O)N2CCCC[C@H]2Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC001637268236 1100768583 /nfs/dbraw/zinc/76/85/83/1100768583.db2.gz HQEWGOXWTYTUSM-ZDUSSCGKSA-N 0 0 344.371 2.569 10 5 EFBERN CC1(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(F)(F)C1 ZINC001637286165 1100770603 /nfs/dbraw/zinc/77/06/03/1100770603.db2.gz ABNCRPZFGRSRTB-UHFFFAOYSA-N 0 0 343.286 2.740 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(O)c(F)cc1F ZINC001637370847 1100777283 /nfs/dbraw/zinc/77/72/83/1100777283.db2.gz RICZDLLMCWFFGV-UHFFFAOYSA-N 0 0 327.218 2.552 10 5 EFBERN CC(C)[C@@H]1CCCCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001637373932 1100777352 /nfs/dbraw/zinc/77/73/52/1100777352.db2.gz YFLNCNGLTCIKIX-INIZCTEOSA-N 0 0 347.415 2.752 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CSc2ccccc21 ZINC001637414957 1100781594 /nfs/dbraw/zinc/78/15/94/1100781594.db2.gz WFUZJLJXKSBIQV-SECBINFHSA-N 0 0 347.371 2.935 10 5 EFBERN C[C@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637433480 1100782629 /nfs/dbraw/zinc/78/26/29/1100782629.db2.gz QEMQGIHIUOEXGI-GWCFXTLKSA-N 0 0 326.780 2.553 10 5 EFBERN CC1(C)CO[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001637481330 1100786181 /nfs/dbraw/zinc/78/61/81/1100786181.db2.gz VEFHGHIIBYPUPA-CYBMUJFWSA-N 0 0 344.371 2.530 10 5 EFBERN CCc1ccc(C(=O)NCCNc2nc(C)cs2)cc1[N+](=O)[O-] ZINC001637541347 1100788546 /nfs/dbraw/zinc/78/85/46/1100788546.db2.gz JRDRUWAOSMURLC-UHFFFAOYSA-N 0 0 334.401 2.764 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](C(C)C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC001637702296 1100800677 /nfs/dbraw/zinc/80/06/77/1100800677.db2.gz UAPWILPRWVPSIZ-MRXNPFEDSA-N 0 0 349.431 2.890 10 5 EFBERN C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cn[nH]c1 ZINC001637740539 1100802851 /nfs/dbraw/zinc/80/28/51/1100802851.db2.gz KXOVWZDOLFIUQO-LLVKDONJSA-N 0 0 337.339 2.871 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCc2cc(O)ccc2C1 ZINC001637779186 1100805201 /nfs/dbraw/zinc/80/52/01/1100805201.db2.gz PRSGCDBZAJCCLK-UHFFFAOYSA-N 0 0 330.315 2.567 10 5 EFBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001637839385 1100809607 /nfs/dbraw/zinc/80/96/07/1100809607.db2.gz ACGINXSSXWPFKZ-SNVBAGLBSA-N 0 0 346.362 2.873 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2cc(=O)[nH]cc21 ZINC001637906131 1100816166 /nfs/dbraw/zinc/81/61/66/1100816166.db2.gz ANIZLRRFVSXMFU-UHFFFAOYSA-N 0 0 349.306 2.977 10 5 EFBERN COc1ccc(C=O)cc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001637906396 1100816596 /nfs/dbraw/zinc/81/65/96/1100816596.db2.gz HHYMOMUALJNQED-UHFFFAOYSA-N 0 0 340.295 2.545 10 5 EFBERN Cc1oc2ccccc2c1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001638047913 1100828173 /nfs/dbraw/zinc/82/81/73/1100828173.db2.gz YYPFYPHDNOLEHY-UHFFFAOYSA-N 0 0 334.719 2.956 10 5 EFBERN Cn1c(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)nc2cccnc21 ZINC001638150490 1100837728 /nfs/dbraw/zinc/83/77/28/1100837728.db2.gz SQSXTRPPVQHYLA-UHFFFAOYSA-N 0 0 345.746 2.711 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001638161502 1100839576 /nfs/dbraw/zinc/83/95/76/1100839576.db2.gz WMCYYSQLBJQSNK-ZDUSSCGKSA-N 0 0 343.387 2.638 10 5 EFBERN CC(=O)c1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC001638259577 1100844453 /nfs/dbraw/zinc/84/44/53/1100844453.db2.gz MZGNPWOOIKUEGX-MRXNPFEDSA-N 0 0 328.324 2.778 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](CCO)CC1 ZINC001638278831 1100845429 /nfs/dbraw/zinc/84/54/29/1100845429.db2.gz VFHCVKNNNYDNGI-LBPRGKRZSA-N 0 0 340.807 2.802 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(N)=O)cc1 ZINC001638269220 1100845488 /nfs/dbraw/zinc/84/54/88/1100845488.db2.gz QBUIGCAADYWAPV-UHFFFAOYSA-N 0 0 344.327 2.736 10 5 EFBERN CCOC(=O)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)C(C)C ZINC001638269445 1100845730 /nfs/dbraw/zinc/84/57/30/1100845730.db2.gz YFCPKIDCCYDTFR-AWEZNQCLSA-N 0 0 338.360 2.767 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(O)c(OC)c1 ZINC001638268862 1100846142 /nfs/dbraw/zinc/84/61/42/1100846142.db2.gz DXSALARPZZXCNA-UHFFFAOYSA-N 0 0 332.312 2.960 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[Si](C)(C)c1ccccc1 ZINC001638284352 1100846859 /nfs/dbraw/zinc/84/68/59/1100846859.db2.gz HXXMILBMVIAEQE-UHFFFAOYSA-N 0 0 346.434 2.927 10 5 EFBERN COCCC(C)(C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001638310681 1100848166 /nfs/dbraw/zinc/84/81/66/1100848166.db2.gz LPZIDQOHLORKOL-UHFFFAOYSA-N 0 0 333.747 2.514 10 5 EFBERN CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001638375200 1100853389 /nfs/dbraw/zinc/85/33/89/1100853389.db2.gz ZSIOZGZIKVDXAP-VHSXEESVSA-N 0 0 328.390 2.754 10 5 EFBERN Cn1cnc2cc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])ccc21 ZINC001638441975 1100860442 /nfs/dbraw/zinc/86/04/42/1100860442.db2.gz NFVLLQRUNUEEGQ-UHFFFAOYSA-N 0 0 328.303 2.551 10 5 EFBERN C[C@H]1CN=C(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)S1 ZINC001638506185 1100864079 /nfs/dbraw/zinc/86/40/79/1100864079.db2.gz DWVIXNGDZUSEQN-QMMMGPOBSA-N 0 0 348.409 2.939 10 5 EFBERN CN(C[C@](C)(O)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001638538912 1100866147 /nfs/dbraw/zinc/86/61/47/1100866147.db2.gz UNPNMBOMSDCKJJ-KRWDZBQOSA-N 0 0 332.331 2.714 10 5 EFBERN CCc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CCO2 ZINC001638560239 1100869401 /nfs/dbraw/zinc/86/94/01/1100869401.db2.gz WHWABEJFFLYPKT-AWEZNQCLSA-N 0 0 343.339 2.511 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](CO)CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC001638708186 1100880427 /nfs/dbraw/zinc/88/04/27/1100880427.db2.gz XIAJOTIGLVSIBW-JSGCOSHPSA-N 0 0 335.404 2.549 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(F)(F)OC(F)(F)C1 ZINC001638736273 1100882951 /nfs/dbraw/zinc/88/29/51/1100882951.db2.gz CRHZEWKBRKUOSS-UHFFFAOYSA-N 0 0 347.224 2.734 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC(F)(F)OC(F)(F)C1 ZINC001638737142 1100883840 /nfs/dbraw/zinc/88/38/40/1100883840.db2.gz QJDKWEKJRYUXGH-WDEREUQCSA-N 0 0 348.252 2.743 10 5 EFBERN Cc1ccn2ncc(C(=O)Nc3nccc4c3cccc4[N+](=O)[O-])c2n1 ZINC001638851752 1100890792 /nfs/dbraw/zinc/89/07/92/1100890792.db2.gz MTHOVPKTMWJGQM-UHFFFAOYSA-N 0 0 348.322 2.746 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2cc(F)ccc2n1 ZINC001638895732 1100895709 /nfs/dbraw/zinc/89/57/09/1100895709.db2.gz CLEVMQUJDOWOKF-UHFFFAOYSA-N 0 0 343.318 2.605 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2ccccc2O1 ZINC001638895835 1100895768 /nfs/dbraw/zinc/89/57/68/1100895768.db2.gz GTBAHYGBLSMSJX-MRXNPFEDSA-N 0 0 327.340 2.969 10 5 EFBERN Cc1nc(C)c(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC001638892906 1100896147 /nfs/dbraw/zinc/89/61/47/1100896147.db2.gz LGNGPAKUNMOWFY-UHFFFAOYSA-N 0 0 336.779 2.837 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H](c2ncon2)C2CC2)cc1[N+](=O)[O-] ZINC001638892871 1100896569 /nfs/dbraw/zinc/89/65/69/1100896569.db2.gz KIKBHWFPGPUAJV-AWEZNQCLSA-N 0 0 330.344 2.982 10 5 EFBERN Cc1ccccc1C(F)(F)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001638958587 1100901145 /nfs/dbraw/zinc/90/11/45/1100901145.db2.gz RRSQAGMZDXDLJW-UHFFFAOYSA-N 0 0 337.282 2.526 10 5 EFBERN O=C(Nc1cccc(CCO)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001639011114 1100904604 /nfs/dbraw/zinc/90/46/04/1100904604.db2.gz JEUAAVFVHIQGJX-UHFFFAOYSA-N 0 0 325.324 2.863 10 5 EFBERN O=C(Nc1ccc(-c2ccon2)cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001639070006 1100910102 /nfs/dbraw/zinc/91/01/02/1100910102.db2.gz UTXFONYBOMMPIV-INIZCTEOSA-N 0 0 339.307 2.922 10 5 EFBERN CNc1snc(C)c1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001639083091 1100911050 /nfs/dbraw/zinc/91/10/50/1100911050.db2.gz OUJGVRNRUYWHQX-UHFFFAOYSA-N 0 0 342.327 2.610 10 5 EFBERN Nc1c(C(=O)N2CCC[C@@H](c3cccnc3)C2)cc(F)cc1[N+](=O)[O-] ZINC001639092200 1100912395 /nfs/dbraw/zinc/91/23/95/1100912395.db2.gz MHNKUSJPMDKQGO-GFCCVEGCSA-N 0 0 344.346 2.731 10 5 EFBERN Cc1c2cc[nH]c2ncc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001639103202 1100913515 /nfs/dbraw/zinc/91/35/15/1100913515.db2.gz UQWGSCSDBUFDFM-UHFFFAOYSA-N 0 0 340.295 2.712 10 5 EFBERN COc1cc(Nc2c(Cl)cncc2[N+](=O)[O-])cc(OC)c1OC ZINC001639186301 1100922814 /nfs/dbraw/zinc/92/28/14/1100922814.db2.gz MYZAPEIGWACHTG-UHFFFAOYSA-N 0 0 339.735 2.835 10 5 EFBERN Cn1nc(C2CC2)cc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001639196416 1100923594 /nfs/dbraw/zinc/92/35/94/1100923594.db2.gz STMQRXRRZILCJQ-UHFFFAOYSA-N 0 0 339.355 2.617 10 5 EFBERN CN(Cc1nccn1C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001639213377 1100925433 /nfs/dbraw/zinc/92/54/33/1100925433.db2.gz IQBGHGQMRADXPK-UHFFFAOYSA-N 0 0 332.751 2.561 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])c1ncnc(F)c1Br ZINC001639249602 1100929383 /nfs/dbraw/zinc/92/93/83/1100929383.db2.gz QLDGXRKJJHGURF-UHFFFAOYSA-N 0 0 341.140 2.923 10 5 EFBERN C[C@H](C(=O)NCc1nc2c([nH]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001639300638 1100936033 /nfs/dbraw/zinc/93/60/33/1100936033.db2.gz VXQYXVRAKUFMIQ-NSHDSACASA-N 0 0 328.372 2.617 10 5 EFBERN CCOc1cc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)ccc1OC ZINC001639295907 1100936365 /nfs/dbraw/zinc/93/63/65/1100936365.db2.gz OLHWOYUHAAETOX-UHFFFAOYSA-N 0 0 331.328 2.845 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3ccc(O)cc3)c2c1 ZINC001639302461 1100936518 /nfs/dbraw/zinc/93/65/18/1100936518.db2.gz VOIJUYMNTOWINJ-UHFFFAOYSA-N 0 0 325.324 2.891 10 5 EFBERN CCOc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(F)c1 ZINC001639403365 1100945172 /nfs/dbraw/zinc/94/51/72/1100945172.db2.gz WNLTYXWLBKEAFM-UHFFFAOYSA-N 0 0 328.687 2.761 10 5 EFBERN CC(C)c1nc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c[nH]1 ZINC001639427841 1100948494 /nfs/dbraw/zinc/94/84/94/1100948494.db2.gz PQAYDZRDEWNUDQ-UHFFFAOYSA-N 0 0 334.351 2.829 10 5 EFBERN NC(=O)c1cc(Nc2ccc(O[C@@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC001639513767 1100956937 /nfs/dbraw/zinc/95/69/37/1100956937.db2.gz YUNDXKSLDOMRES-CQSZACIVSA-N 0 0 343.339 2.605 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCOc1ccc(F)cc1F ZINC001639579543 1100963294 /nfs/dbraw/zinc/96/32/94/1100963294.db2.gz AZBGROZPNQWHHJ-UHFFFAOYSA-N 0 0 329.690 2.834 10 5 EFBERN C[C@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)c1ccccc1[N+](=O)[O-] ZINC001639633384 1100968689 /nfs/dbraw/zinc/96/86/89/1100968689.db2.gz DGXRBTAMHVKSPU-NWDGAFQWSA-N 0 0 342.399 2.976 10 5 EFBERN Cc1c(F)cccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001639662522 1100971704 /nfs/dbraw/zinc/97/17/04/1100971704.db2.gz DKLWNIXUXARTLW-UHFFFAOYSA-N 0 0 328.303 2.849 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)CC1CCCC1 ZINC001639668943 1100972205 /nfs/dbraw/zinc/97/22/05/1100972205.db2.gz RQUISTKKWDTICN-ZDUSSCGKSA-N 0 0 338.379 2.961 10 5 EFBERN COc1ccc2c(c1)[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)CCC2 ZINC001639670823 1100972469 /nfs/dbraw/zinc/97/24/69/1100972469.db2.gz SRMAJPLBOQFBCP-HNNXBMFYSA-N 0 0 342.355 2.587 10 5 EFBERN Cn1nccc1CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001639755027 1100981094 /nfs/dbraw/zinc/98/10/94/1100981094.db2.gz PJUQBGIWYQITLP-UHFFFAOYSA-N 0 0 331.763 2.606 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC001639768963 1100982385 /nfs/dbraw/zinc/98/23/85/1100982385.db2.gz QJIWEHMOJDTRDR-PSLIRLAXSA-N 0 0 336.294 2.725 10 5 EFBERN CC1(C)CC[C@@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])O1 ZINC001639824668 1100986912 /nfs/dbraw/zinc/98/69/12/1100986912.db2.gz NQVOFLVBULKPQT-NSHDSACASA-N 0 0 346.343 2.843 10 5 EFBERN CCc1ccncc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001639836172 1100988702 /nfs/dbraw/zinc/98/87/02/1100988702.db2.gz JDJRQFKQWYUTMK-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN CCC(=CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)CC ZINC001639841786 1100988770 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O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001640020838 1101004966 /nfs/dbraw/zinc/00/49/66/1101004966.db2.gz ZQTCJWKMCZVDMU-UHFFFAOYSA-N 0 0 336.351 2.844 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1nnc(-c2ccncc2)[nH]1 ZINC001640039425 1101008209 /nfs/dbraw/zinc/00/82/09/1101008209.db2.gz IQWCWOCMIQBYHF-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN C[C@@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CCCN1C(=O)OC(C)(C)C ZINC001640050522 1101009482 /nfs/dbraw/zinc/00/94/82/1101009482.db2.gz BDSYCWXPEVNKII-GHMZBOCLSA-N 0 0 339.396 2.528 10 5 EFBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001640064378 1101010343 /nfs/dbraw/zinc/01/03/43/1101010343.db2.gz YTACBSGCSMZDMV-UHFFFAOYSA-N 0 0 339.355 2.819 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H](Nc2ncccn2)C1 ZINC001640080177 1101012246 /nfs/dbraw/zinc/01/22/46/1101012246.db2.gz ZMPCTFPUGLTQHL-ZDUSSCGKSA-N 0 0 336.355 2.624 10 5 EFBERN C[C@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1nccc(N)n1 ZINC001640090916 1101012748 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Cc1ccc([N+](=O)[O-])c(N2CC(c3nc(-c4ccccc4)no3)C2)n1 ZINC001640444680 1101047762 /nfs/dbraw/zinc/04/77/62/1101047762.db2.gz OBALHBZVIKXRJE-UHFFFAOYSA-N 0 0 337.339 2.952 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC(CC(F)(F)F)CC1 ZINC001640456784 1101049119 /nfs/dbraw/zinc/04/91/19/1101049119.db2.gz FMVQUMSHMVRDCP-UHFFFAOYSA-N 0 0 340.689 2.776 10 5 EFBERN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001640461724 1101049224 /nfs/dbraw/zinc/04/92/24/1101049224.db2.gz JYTAORUDQSNGPY-SCSAIBSYSA-N 0 0 336.661 2.953 10 5 EFBERN CC(F)(F)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC001640465122 1101049777 /nfs/dbraw/zinc/04/97/77/1101049777.db2.gz PTLPXFIVSJSXRW-UHFFFAOYSA-N 0 0 336.342 2.920 10 5 EFBERN Cc1noc(C[C@@H]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC001640474562 1101051647 /nfs/dbraw/zinc/05/16/47/1101051647.db2.gz FFCQUBISXHAEEF-NSHDSACASA-N 0 0 342.359 2.622 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2ccccc2NC1=O ZINC001640486527 1101052789 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Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC001640893164 1101086209 /nfs/dbraw/zinc/08/62/09/1101086209.db2.gz RNWKKRARCASLTB-MRXNPFEDSA-N 0 0 338.367 2.939 10 5 EFBERN C[C@@H]1c2ccccc2OCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001640886845 1101086530 /nfs/dbraw/zinc/08/65/30/1101086530.db2.gz AISHFRYXNZZAJI-LLVKDONJSA-N 0 0 327.340 2.773 10 5 EFBERN O=C(Nc1cn(-c2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1F ZINC001640906413 1101087138 /nfs/dbraw/zinc/08/71/38/1101087138.db2.gz CNANYRMSIHNCGB-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN COc1ccc(C=O)cc1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001640949996 1101089880 /nfs/dbraw/zinc/08/98/80/1101089880.db2.gz MXEZOBUYGNFGGG-UHFFFAOYSA-N 0 0 326.312 2.517 10 5 EFBERN COC(=O)c1cc(F)ccc1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001640950199 1101089905 /nfs/dbraw/zinc/08/99/05/1101089905.db2.gz WHAUTBCZGOZNQL-UHFFFAOYSA-N 0 0 344.302 2.622 10 5 EFBERN Cc1nn(CC(=O)c2ccc(F)c(F)c2)c2ncc([N+](=O)[O-])cc12 ZINC001640950204 1101090208 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1101122226 /nfs/dbraw/zinc/12/22/26/1101122226.db2.gz PFVHJWQFBCNESD-UHFFFAOYSA-N 0 0 343.274 2.949 10 5 EFBERN C/C(=C/C(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000840536123 1101123009 /nfs/dbraw/zinc/12/30/09/1101123009.db2.gz QMLCQCPALDHLNP-HVNUJJNSSA-N 0 0 330.384 2.618 10 5 EFBERN O=c1ccc(-c2ccccn2)nn1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001641305440 1101123980 /nfs/dbraw/zinc/12/39/80/1101123980.db2.gz RQGWQSQDLZETSK-UHFFFAOYSA-N 0 0 342.742 2.915 10 5 EFBERN CCc1nnc(SCCOc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001641384906 1101130642 /nfs/dbraw/zinc/13/06/42/1101130642.db2.gz RPMGKUBTNNLTJD-UHFFFAOYSA-N 0 0 325.346 2.720 10 5 EFBERN CCN(CC(C)=O)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001641388875 1101131802 /nfs/dbraw/zinc/13/18/02/1101131802.db2.gz PHLHAIQJAJQAPC-UHFFFAOYSA-N 0 0 327.340 2.708 10 5 EFBERN Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])cnn1C1CCOCC1 ZINC001641414926 1101134259 /nfs/dbraw/zinc/13/42/59/1101134259.db2.gz XOLBZZZXYVEBEM-UHFFFAOYSA-N 0 0 344.371 2.632 10 5 EFBERN Cc1cn(Cc2ccc(Br)c([N+](=O)[O-])c2)c(=O)s1 ZINC001641438116 1101136179 /nfs/dbraw/zinc/13/61/79/1101136179.db2.gz VHGVKZSTWKHQJV-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nc(CO)cs2)c1 ZINC001641448070 1101137208 /nfs/dbraw/zinc/13/72/08/1101137208.db2.gz JPZMMFQJKJAFSD-UHFFFAOYSA-N 0 0 340.382 2.623 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2nc(F)ccc21 ZINC001641466902 1101138476 /nfs/dbraw/zinc/13/84/76/1101138476.db2.gz XGQATOPDZCGACO-UHFFFAOYSA-N 0 0 326.287 2.813 10 5 EFBERN Cc1ccccc1C[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641467824 1101138565 /nfs/dbraw/zinc/13/85/65/1101138565.db2.gz IQEPIDCOGRRLFZ-AWEZNQCLSA-N 0 0 348.786 2.890 10 5 EFBERN CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)n1cccn1 ZINC001641571027 1101147516 /nfs/dbraw/zinc/14/75/16/1101147516.db2.gz WGGQQVGPJWBXEW-UHFFFAOYSA-N 0 0 328.328 2.703 10 5 EFBERN CCO/C=C/C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000840592110 1101153553 /nfs/dbraw/zinc/15/35/53/1101153553.db2.gz WJUFXBZPIQPDGC-DDXVTDLHSA-N 0 0 333.300 2.799 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)n1 ZINC001641663230 1101154416 /nfs/dbraw/zinc/15/44/16/1101154416.db2.gz OBOFXKCSAQUPNB-AWEZNQCLSA-N 0 0 340.339 2.502 10 5 EFBERN CNc1c(C(=O)N[C@@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC001641725122 1101159836 /nfs/dbraw/zinc/15/98/36/1101159836.db2.gz AWSPKZFJIZSWSY-CQSZACIVSA-N 0 0 327.340 2.759 10 5 EFBERN O=C(N[C@@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001641726589 1101160337 /nfs/dbraw/zinc/16/03/37/1101160337.db2.gz RUEZWGLLLOKEST-OAHLLOKOSA-N 0 0 343.295 2.626 10 5 EFBERN COc1c(C(=O)NCc2nc3ccccc3o2)cccc1[N+](=O)[O-] ZINC001641745979 1101161585 /nfs/dbraw/zinc/16/15/85/1101161585.db2.gz PRXCVCKJJKZMPB-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN CCSc1ccccc1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001641847268 1101169525 /nfs/dbraw/zinc/16/95/25/1101169525.db2.gz ACHPTPIDSYITHV-UHFFFAOYSA-N 0 0 347.396 2.780 10 5 EFBERN Cc1cccc(C(=O)NCc2nnc3ccc(Cl)cn32)c1[N+](=O)[O-] ZINC001641931992 1101177189 /nfs/dbraw/zinc/17/71/89/1101177189.db2.gz ALHQWRBCAZKSOI-UHFFFAOYSA-N 0 0 345.746 2.529 10 5 EFBERN COc1cc(COC(=O)C[C@@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000840628379 1101177450 /nfs/dbraw/zinc/17/74/50/1101177450.db2.gz SEYYMJRTNVAVJL-LLVKDONJSA-N 0 0 333.344 2.574 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1cn2ccccc2n1 ZINC001641965357 1101179666 /nfs/dbraw/zinc/17/96/66/1101179666.db2.gz OFSSYVXMDHGGFY-UHFFFAOYSA-N 0 0 337.314 2.964 10 5 EFBERN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001641973436 1101180656 /nfs/dbraw/zinc/18/06/56/1101180656.db2.gz YVYDRMKYHYPLCR-UHFFFAOYSA-N 0 0 341.352 2.501 10 5 EFBERN CN(Cc1ccc(OC(F)F)cc1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001642012177 1101181676 /nfs/dbraw/zinc/18/16/76/1101181676.db2.gz AFWWZUDFIBPHPY-UHFFFAOYSA-N 0 0 325.271 2.933 10 5 EFBERN C=CC(=O)Nc1cccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001642045792 1101184812 /nfs/dbraw/zinc/18/48/12/1101184812.db2.gz SXILVNPHKCDTKR-UHFFFAOYSA-N 0 0 326.312 2.554 10 5 EFBERN Nc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC001642044698 1101185108 /nfs/dbraw/zinc/18/51/08/1101185108.db2.gz DQVUGWUBPHWTHR-MRXNPFEDSA-N 0 0 327.340 2.820 10 5 EFBERN COc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001642045255 1101185158 /nfs/dbraw/zinc/18/51/58/1101185158.db2.gz TUGUXJQXOZCVSB-NSHDSACASA-N 0 0 329.356 2.900 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC001642041902 1101185281 /nfs/dbraw/zinc/18/52/81/1101185281.db2.gz DJWFBTNDYNDHQV-AWEZNQCLSA-N 0 0 336.294 2.645 10 5 EFBERN Nc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC001642048276 1101186002 /nfs/dbraw/zinc/18/60/02/1101186002.db2.gz DAVDEJJQKJJVJP-UHFFFAOYSA-N 0 0 341.323 2.576 10 5 EFBERN CCOC(=O)CCc1cc(NCc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC001642085433 1101188482 /nfs/dbraw/zinc/18/84/82/1101188482.db2.gz UUNCOJTZJDTBIN-UHFFFAOYSA-N 0 0 344.371 2.801 10 5 EFBERN Cc1cc(C(=O)N2CCOc3ccc(O)cc3C2)cc([N+](=O)[O-])c1 ZINC001642104994 1101190777 /nfs/dbraw/zinc/19/07/77/1101190777.db2.gz GNEGLGWKHHKSFH-UHFFFAOYSA-N 0 0 328.324 2.644 10 5 EFBERN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc([N+](=O)[O-])[nH]1 ZINC001642149884 1101191615 /nfs/dbraw/zinc/19/16/15/1101191615.db2.gz SYBITJQJCXLTLT-UHFFFAOYSA-N 0 0 333.254 2.844 10 5 EFBERN CN1C(=O)CCc2cc(Nc3cc(F)c([N+](=O)[O-])cc3CO)ccc21 ZINC001642236224 1101200960 /nfs/dbraw/zinc/20/09/60/1101200960.db2.gz PENUJQQXORSUHZ-UHFFFAOYSA-N 0 0 345.330 2.879 10 5 EFBERN CCc1ccc(Oc2nc(N)nc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC001642251257 1101201797 /nfs/dbraw/zinc/20/17/97/1101201797.db2.gz QFQICSIHRCJUHZ-UHFFFAOYSA-N 0 0 329.238 2.736 10 5 EFBERN CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1nc[nH]n1)c1ccccc1 ZINC001642318854 1101205313 /nfs/dbraw/zinc/20/53/13/1101205313.db2.gz VGHFIWQDFGFXIC-ZDUSSCGKSA-N 0 0 343.368 2.636 10 5 EFBERN NC(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001642348698 1101208461 /nfs/dbraw/zinc/20/84/61/1101208461.db2.gz YXYADTRLAMGTKI-ZDUSSCGKSA-N 0 0 341.371 2.612 10 5 EFBERN NC(=O)c1cc(N2CCC(OCC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001642374377 1101209719 /nfs/dbraw/zinc/20/97/19/1101209719.db2.gz RDZFAZGJIZGAMI-UHFFFAOYSA-N 0 0 347.415 2.869 10 5 EFBERN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001642410997 1101211909 /nfs/dbraw/zinc/21/19/09/1101211909.db2.gz RQGKNDBKVKXLEJ-GJZGRUSLSA-N 0 0 340.383 2.980 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1COC2(CCCC2)O1 ZINC001642506055 1101217898 /nfs/dbraw/zinc/21/78/98/1101217898.db2.gz PNQJIOUDKNHSRL-LBPRGKRZSA-N 0 0 347.346 2.802 10 5 EFBERN COC(=O)Cc1ccc(Nc2cnn(C(F)F)c2)c([N+](=O)[O-])c1 ZINC001642547653 1101221458 /nfs/dbraw/zinc/22/14/58/1101221458.db2.gz JBOGUWGHKHXZCY-UHFFFAOYSA-N 0 0 326.259 2.646 10 5 EFBERN Cc1cccc(CONC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001642540434 1101222197 /nfs/dbraw/zinc/22/21/97/1101222197.db2.gz SEDNETQEIWNOGI-UHFFFAOYSA-N 0 0 335.747 2.742 10 5 EFBERN COC(=O)c1cnc(Oc2ccc([N+](=O)[O-])c(CO)c2)c(Cl)c1 ZINC001642565071 1101223827 /nfs/dbraw/zinc/22/38/27/1101223827.db2.gz JRKVEQMAXUNXCE-UHFFFAOYSA-N 0 0 338.703 2.714 10 5 EFBERN CC(C)CN1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1=O ZINC001642600019 1101226627 /nfs/dbraw/zinc/22/66/27/1101226627.db2.gz JTLWQHRNPCMFPV-UHFFFAOYSA-N 0 0 345.321 2.918 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc2nsnc21 ZINC001642600325 1101226715 /nfs/dbraw/zinc/22/67/15/1101226715.db2.gz IZRIFUORQMYIRR-UHFFFAOYSA-N 0 0 332.316 2.920 10 5 EFBERN C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)Cc2c[nH]nc21 ZINC001642595280 1101226884 /nfs/dbraw/zinc/22/68/84/1101226884.db2.gz IEHBJAHVFFNQCE-VIFPVBQESA-N 0 0 325.328 2.559 10 5 EFBERN O=c1[nH]ccc(NCc2ccncc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC001642622519 1101227546 /nfs/dbraw/zinc/22/75/46/1101227546.db2.gz BBMZXTHYWKAMNP-UHFFFAOYSA-N 0 0 344.249 2.644 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCSC3)c2c1 ZINC001642658957 1101231646 /nfs/dbraw/zinc/23/16/46/1101231646.db2.gz UPYWFDBBQQRVIK-SECBINFHSA-N 0 0 334.357 2.638 10 5 EFBERN O=C1OCCN1c1cc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])ccc1F ZINC001642657017 1101231853 /nfs/dbraw/zinc/23/18/53/1101231853.db2.gz XQVRSFHGYHHSSX-UHFFFAOYSA-N 0 0 334.263 2.535 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N[C@H]3CCCSC3)c2c1 ZINC001642728730 1101236875 /nfs/dbraw/zinc/23/68/75/1101236875.db2.gz YNBYJCZPRSJIHT-VIFPVBQESA-N 0 0 334.357 2.781 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1NCCc1cnc2c(Cl)cnn2c1 ZINC001642737403 1101237234 /nfs/dbraw/zinc/23/72/34/1101237234.db2.gz UUPBKPWFENATNB-UHFFFAOYSA-N 0 0 332.751 2.649 10 5 EFBERN C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC001642766387 1101238479 /nfs/dbraw/zinc/23/84/79/1101238479.db2.gz VHUSJBCTPGYZGM-GFCCVEGCSA-N 0 0 331.347 2.893 10 5 EFBERN COC(=O)c1ccnc(N2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC001642782770 1101241436 /nfs/dbraw/zinc/24/14/36/1101241436.db2.gz OLHGIDMKGMNJPB-UHFFFAOYSA-N 0 0 333.731 2.950 10 5 EFBERN O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001642909233 1101254626 /nfs/dbraw/zinc/25/46/26/1101254626.db2.gz IVEAIDUQPIFJNZ-HNNXBMFYSA-N 0 0 347.415 2.827 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)c1 ZINC001642915188 1101255502 /nfs/dbraw/zinc/25/55/02/1101255502.db2.gz QVLUDDCDPJEHAN-UGSOOPFHSA-N 0 0 348.399 2.698 10 5 EFBERN O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001642909234 1101255572 /nfs/dbraw/zinc/25/55/72/1101255572.db2.gz IVEAIDUQPIFJNZ-OAHLLOKOSA-N 0 0 347.415 2.827 10 5 EFBERN NC(=O)c1cc2cc(Nc3ncnc4ccc([N+](=O)[O-])cc43)ccc2[nH]1 ZINC001643032525 1101264991 /nfs/dbraw/zinc/26/49/91/1101264991.db2.gz FPSAFLKFHVAREB-UHFFFAOYSA-N 0 0 348.322 2.862 10 5 EFBERN COc1cc(Cl)ccc1OC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001643040793 1101266642 /nfs/dbraw/zinc/26/66/42/1101266642.db2.gz AZHDMOHDQHMJNU-UHFFFAOYSA-N 0 0 332.099 2.853 10 5 EFBERN CN(CCCNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccccn1 ZINC001643105808 1101270838 /nfs/dbraw/zinc/27/08/38/1101270838.db2.gz PVQYRIYZPVIARJ-UHFFFAOYSA-N 0 0 334.351 2.560 10 5 EFBERN CC(=O)c1ccc(NC[C@@H]2CCN(CC(F)F)C2)c([N+](=O)[O-])c1 ZINC001643105612 1101271109 /nfs/dbraw/zinc/27/11/09/1101271109.db2.gz KWFIVRSEHJUARM-NSHDSACASA-N 0 0 327.331 2.796 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2ccc(N(C)C)c(F)c2)c1[N+](=O)[O-] ZINC001643117830 1101271782 /nfs/dbraw/zinc/27/17/82/1101271782.db2.gz BCVVPEWUGUOSJZ-UHFFFAOYSA-N 0 0 335.339 2.899 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3cncc(F)c3)c2c1 ZINC001643182753 1101277910 /nfs/dbraw/zinc/27/79/10/1101277910.db2.gz JIFKCKCTLDJFQN-UHFFFAOYSA-N 0 0 328.303 2.720 10 5 EFBERN Cc1cc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001643203428 1101279463 /nfs/dbraw/zinc/27/94/63/1101279463.db2.gz TYPBTYWVHHSGNW-VXGBXAGGSA-N 0 0 336.392 2.966 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1nc2ccccc2[nH]1 ZINC001643195066 1101279591 /nfs/dbraw/zinc/27/95/91/1101279591.db2.gz ABOVOAHESIFUES-VIFPVBQESA-N 0 0 325.328 2.544 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@@H](c3cnccn3)C2)c(C(F)(F)F)c1 ZINC001643226556 1101282538 /nfs/dbraw/zinc/28/25/38/1101282538.db2.gz ZQXGGZQEMGUDFS-SECBINFHSA-N 0 0 339.277 2.793 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC2(CSC2)C1 ZINC001643231255 1101282783 /nfs/dbraw/zinc/28/27/83/1101282783.db2.gz IMAWEXJGCRRYSC-UHFFFAOYSA-N 0 0 326.805 2.803 10 5 EFBERN CON(C)C1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001643234649 1101283550 /nfs/dbraw/zinc/28/35/50/1101283550.db2.gz PCBIOHSNLFDWRR-UHFFFAOYSA-N 0 0 339.701 2.949 10 5 EFBERN CC(F)(F)CN1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001643234389 1101284069 /nfs/dbraw/zinc/28/40/69/1101284069.db2.gz DXCVHFYCWAWUJF-UHFFFAOYSA-N 0 0 336.342 2.920 10 5 EFBERN CCC[C@@H](O)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001643259805 1101285004 /nfs/dbraw/zinc/28/50/04/1101285004.db2.gz JNOZHWRTCGTIDC-SNVBAGLBSA-N 0 0 330.768 2.998 10 5 EFBERN Cc1noc(Cc2ccc(Nc3c([N+](=O)[O-])c(C)nn3C)cc2)n1 ZINC001643256977 1101285079 /nfs/dbraw/zinc/28/50/79/1101285079.db2.gz YTFYFUUZPCHRNF-UHFFFAOYSA-N 0 0 328.332 2.663 10 5 EFBERN Cc1nc2ccccn2c1CNc1nc2sccn2c1[N+](=O)[O-] ZINC001643287181 1101287123 /nfs/dbraw/zinc/28/71/23/1101287123.db2.gz RCTKXKBQQXTUIR-UHFFFAOYSA-N 0 0 328.357 2.872 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[C@@H](NC2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001643292143 1101288688 /nfs/dbraw/zinc/28/86/88/1101288688.db2.gz ZHJBPNOJMXCGTA-GFCCVEGCSA-N 0 0 348.281 2.988 10 5 EFBERN NS(=O)(=O)c1ccc(NC[C@H]2CCC=CCCC2)c([N+](=O)[O-])c1 ZINC001643294589 1101288740 /nfs/dbraw/zinc/28/87/40/1101288740.db2.gz PIRYFCWZSGGDJC-LBPRGKRZSA-N 0 0 339.417 2.791 10 5 EFBERN O=c1[nH]ccc(N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001643327177 1101290516 /nfs/dbraw/zinc/29/05/16/1101290516.db2.gz IMEZWOQRXUWBQD-CXAGYDPISA-N 0 0 343.339 2.790 10 5 EFBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@@H]1CCCC12CCOCC2 ZINC001643357900 1101293543 /nfs/dbraw/zinc/29/35/43/1101293543.db2.gz ZLOOBEZPNGRUKH-LBPRGKRZSA-N 0 0 344.367 2.788 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C=Cc2cccs2)cc1[N+](=O)[O-] ZINC001643419650 1101297513 /nfs/dbraw/zinc/29/75/13/1101297513.db2.gz MZHVQXFDZIOUEM-ALCCZGGFSA-N 0 0 346.364 2.677 10 5 EFBERN COC(=O)c1ccc(OC)c(COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC001643420539 1101298228 /nfs/dbraw/zinc/29/82/28/1101298228.db2.gz ZZKVWJKCHSTDIU-UHFFFAOYSA-N 0 0 345.307 2.782 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1nc2c(cccc2F)[nH]1 ZINC001643458600 1101300850 /nfs/dbraw/zinc/30/08/50/1101300850.db2.gz LKJFUDYDNHXQOZ-RMKNXTFCSA-N 0 0 340.314 2.940 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001643472676 1101301416 /nfs/dbraw/zinc/30/14/16/1101301416.db2.gz KNLXCGLBUUGRRV-MLGOLLRUSA-N 0 0 329.331 2.932 10 5 EFBERN Cc1nn(-c2ccccc2)c(C)c1CNc1nn(C)cc1[N+](=O)[O-] ZINC001651316294 1101307858 /nfs/dbraw/zinc/30/78/58/1101307858.db2.gz UCMHLDNOUKSBCZ-UHFFFAOYSA-N 0 0 326.360 2.743 10 5 EFBERN CNc1c(C(=O)NCc2ncc(Cl)s2)cccc1[N+](=O)[O-] ZINC001651394708 1101321679 /nfs/dbraw/zinc/32/16/79/1101321679.db2.gz UXWOMXDAHXIQRZ-UHFFFAOYSA-N 0 0 326.765 2.676 10 5 EFBERN COC(=O)c1ccnc(NCc2ccc3c(c2)C[C@H](C)O3)c1[N+](=O)[O-] ZINC001651398505 1101322840 /nfs/dbraw/zinc/32/28/40/1101322840.db2.gz PIVBGPFPMNYCKJ-JTQLQIEISA-N 0 0 343.339 2.712 10 5 EFBERN NC(=O)c1cc(N2CC[C@H](c3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC001651406248 1101325005 /nfs/dbraw/zinc/32/50/05/1101325005.db2.gz PDPQPGBBWOYLJJ-JTQLQIEISA-N 0 0 347.321 2.966 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2cncs2)cc1OC(F)F ZINC001651413879 1101326240 /nfs/dbraw/zinc/32/62/40/1101326240.db2.gz UEAARONYCSNAOG-VIFPVBQESA-N 0 0 331.300 2.798 10 5 EFBERN CCOC(=O)c1nc[nH]c1CNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001651455245 1101331789 /nfs/dbraw/zinc/33/17/89/1101331789.db2.gz WPHQUPWOULUYFW-UHFFFAOYSA-N 0 0 334.332 2.505 10 5 EFBERN COC(=O)c1ccccc1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC001651450333 1101332290 /nfs/dbraw/zinc/33/22/90/1101332290.db2.gz AAABEPSPYNXATM-UHFFFAOYSA-N 0 0 346.368 2.745 10 5 EFBERN Cc1ccc(-c2nc(CCNc3nn(C)cc3[N+](=O)[O-])co2)cc1 ZINC001651467516 1101334883 /nfs/dbraw/zinc/33/48/83/1101334883.db2.gz BAOJZMLVVJMWHM-UHFFFAOYSA-N 0 0 327.344 2.946 10 5 EFBERN O=[N+]([O-])c1ccc(NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c2ncccc12 ZINC001651471242 1101335340 /nfs/dbraw/zinc/33/53/40/1101335340.db2.gz WTFQNPAHAPXCOO-YOGCLGLASA-N 0 0 347.396 2.663 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Nc2ccn(Cc3ccccn3)n2)cc1F ZINC001651487786 1101336646 /nfs/dbraw/zinc/33/66/46/1101336646.db2.gz JBTNSWGMQCJRCC-UHFFFAOYSA-N 0 0 343.318 2.610 10 5 EFBERN CCOC(=O)C1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCCC1 ZINC001651482053 1101337166 /nfs/dbraw/zinc/33/71/66/1101337166.db2.gz VPVGHUZQGGEZNN-UHFFFAOYSA-N 0 0 340.351 2.762 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)c1cc(F)c([N+](=O)[O-])cc1F ZINC001625793527 1101338573 /nfs/dbraw/zinc/33/85/73/1101338573.db2.gz LVHAVEYGOPNDJW-UHFFFAOYSA-N 0 0 333.250 2.620 10 5 EFBERN O=[N+]([O-])c1cnc(Oc2cccnc2I)s1 ZINC001651525764 1101342254 /nfs/dbraw/zinc/34/22/54/1101342254.db2.gz WACIZBBXWNHNJO-UHFFFAOYSA-N 0 0 349.109 2.843 10 5 EFBERN CCSc1ccccc1CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001651536422 1101346349 /nfs/dbraw/zinc/34/63/49/1101346349.db2.gz MWHBVCQCBMVBTA-UHFFFAOYSA-N 0 0 346.412 2.657 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](NC(=O)c3ccccc3)C2)n1 ZINC001651559462 1101349011 /nfs/dbraw/zinc/34/90/11/1101349011.db2.gz TWEPNTQZOWIMAB-OAHLLOKOSA-N 0 0 340.383 2.697 10 5 EFBERN CC(C)OC(=O)[C@H](C)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001651582719 1101352629 /nfs/dbraw/zinc/35/26/29/1101352629.db2.gz HRNSVYBLJZDOLH-SNVBAGLBSA-N 0 0 335.335 2.704 10 5 EFBERN Cc1cccn2cc(CS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc12 ZINC001651663268 1101362654 /nfs/dbraw/zinc/36/26/54/1101362654.db2.gz XPSMEFPXSHRZCF-UHFFFAOYSA-N 0 0 345.380 2.833 10 5 EFBERN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)c1ccc([N+](=O)[O-])cc1 ZINC001651699450 1101368223 /nfs/dbraw/zinc/36/82/23/1101368223.db2.gz KCRRKCIVSGJHDE-SNVBAGLBSA-N 0 0 340.339 2.678 10 5 EFBERN Cc1noc(-c2ccc(CNc3c([N+](=O)[O-])c(C)nn3C)cc2)n1 ZINC001651723755 1101373368 /nfs/dbraw/zinc/37/33/68/1101373368.db2.gz ZOSJKCCNYARBSC-UHFFFAOYSA-N 0 0 328.332 2.607 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2C[C@H](C)C1 ZINC001651751502 1101377521 /nfs/dbraw/zinc/37/75/21/1101377521.db2.gz PRLMPTKLIKMJHL-VIFPVBQESA-N 0 0 332.335 2.600 10 5 EFBERN CCC(C)(C)OCC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651755627 1101379847 /nfs/dbraw/zinc/37/98/47/1101379847.db2.gz QYXIYMUADUAJOU-UHFFFAOYSA-N 0 0 348.403 2.725 10 5 EFBERN COCCC[C@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651755939 1101379938 /nfs/dbraw/zinc/37/99/38/1101379938.db2.gz ZYXZUGUNFOLYQX-LBPRGKRZSA-N 0 0 348.403 2.583 10 5 EFBERN C/C(=C/C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC001648788152 1101381478 /nfs/dbraw/zinc/38/14/78/1101381478.db2.gz GCYZXMLCXXNNSI-GKUQOKNUSA-N 0 0 330.340 2.615 10 5 EFBERN CO[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC001651868324 1101396672 /nfs/dbraw/zinc/39/66/72/1101396672.db2.gz XWNAOODYXDSENL-AWEZNQCLSA-N 0 0 326.356 2.912 10 5 EFBERN Cc1cc(=O)n(Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC001651870101 1101397105 /nfs/dbraw/zinc/39/71/05/1101397105.db2.gz IEODPEZFBRXTJK-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN Cc1conc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001651859384 1101397359 /nfs/dbraw/zinc/39/73/59/1101397359.db2.gz CSWSCWJMLQLASD-UHFFFAOYSA-N 0 0 333.347 2.908 10 5 EFBERN CCOC(=O)COCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001651860326 1101397590 /nfs/dbraw/zinc/39/75/90/1101397590.db2.gz GWHRVAXMTLNXMX-UHFFFAOYSA-N 0 0 336.266 2.605 10 5 EFBERN COc1cc(C(=O)Nc2ccc(O)cc2OC)c([N+](=O)[O-])cc1F ZINC001651923948 1101405862 /nfs/dbraw/zinc/40/58/62/1101405862.db2.gz PAJNAKNDPFFLQA-UHFFFAOYSA-N 0 0 336.275 2.709 10 5 EFBERN COC(=O)c1ccc2[nH]c(CNc3nccc(C)c3[N+](=O)[O-])nc2c1 ZINC001651961015 1101411231 /nfs/dbraw/zinc/41/12/31/1101411231.db2.gz FYSIBHKJNXNXNC-UHFFFAOYSA-N 0 0 341.327 2.573 10 5 EFBERN Cc1ccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)c(Cl)n1 ZINC001651971473 1101412944 /nfs/dbraw/zinc/41/29/44/1101412944.db2.gz MTNLKLSMHLGPSW-UHFFFAOYSA-N 0 0 336.760 2.771 10 5 EFBERN Cc1ccc([C@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001651984058 1101413515 /nfs/dbraw/zinc/41/35/15/1101413515.db2.gz HFFRQXKKJFNOKS-MEDUHNTESA-N 0 0 329.356 2.536 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3cc4n(n3)CCCC4)cc2N1 ZINC001651996393 1101417032 /nfs/dbraw/zinc/41/70/32/1101417032.db2.gz XFZAFGRMELHURF-UHFFFAOYSA-N 0 0 341.371 2.624 10 5 EFBERN O=[N+]([O-])c1c(N2CCC=C(c3ccccn3)C2)nc2sccn21 ZINC001652002408 1101417118 /nfs/dbraw/zinc/41/71/18/1101417118.db2.gz WRFHKFNUYNMFMB-UHFFFAOYSA-N 0 0 327.369 2.993 10 5 EFBERN O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nncnn3)cc2)c(F)c1 ZINC001652001529 1101417404 /nfs/dbraw/zinc/41/74/04/1101417404.db2.gz FCNPJYPMLMDWCD-UHFFFAOYSA-N 0 0 344.281 2.732 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]1c1ncccn1 ZINC001167393287 1101420661 /nfs/dbraw/zinc/42/06/61/1101420661.db2.gz PVLHVSBDUHGCQN-CQSZACIVSA-N 0 0 337.339 2.843 10 5 EFBERN O=c1c2ccnc(Cl)c2ncn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001652030733 1101423524 /nfs/dbraw/zinc/42/35/24/1101423524.db2.gz QITZRFKEHLFZLV-UHFFFAOYSA-N 0 0 334.694 2.541 10 5 EFBERN Cc1cc(OCC(=O)NCc2cc(C(F)F)on2)ccc1[N+](=O)[O-] ZINC001652050277 1101427076 /nfs/dbraw/zinc/42/70/76/1101427076.db2.gz SQNGNOYUJBMLHA-UHFFFAOYSA-N 0 0 341.270 2.524 10 5 EFBERN Cn1cc(-c2cccc(Nc3cc(F)c([N+](=O)[O-])cc3CO)c2)nn1 ZINC001652062860 1101428008 /nfs/dbraw/zinc/42/80/08/1101428008.db2.gz PBMZVFLCBKTIEO-UHFFFAOYSA-N 0 0 343.318 2.765 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)c(F)c1 ZINC001652081569 1101429566 /nfs/dbraw/zinc/42/95/66/1101429566.db2.gz GVODCBAYUJICIL-LSDHHAIUSA-N 0 0 340.738 2.894 10 5 EFBERN Cc1ccc(NC(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001652092025 1101433952 /nfs/dbraw/zinc/43/39/52/1101433952.db2.gz CKQKEDOLMJPWQV-UHFFFAOYSA-N 0 0 331.284 2.829 10 5 EFBERN O=c1[nH]nc(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])n1C1CC1 ZINC001652113667 1101437828 /nfs/dbraw/zinc/43/78/28/1101437828.db2.gz PDRPACQJKOSAMI-UHFFFAOYSA-N 0 0 343.265 2.858 10 5 EFBERN COC(=O)[C@@]1(C)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1C ZINC001652125597 1101439326 /nfs/dbraw/zinc/43/93/26/1101439326.db2.gz SIMLGMRMYWGICF-GTNSWQLSSA-N 0 0 333.388 2.504 10 5 EFBERN COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1O ZINC001625805587 1101440852 /nfs/dbraw/zinc/44/08/52/1101440852.db2.gz QBJYHUMZYXLABJ-CABCVRRESA-N 0 0 342.351 2.729 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(=O)c2ccccc2[nH]1 ZINC001652136344 1101441199 /nfs/dbraw/zinc/44/11/99/1101441199.db2.gz CHDRXRFACZKWAJ-UHFFFAOYSA-N 0 0 327.344 2.573 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2cc(-c3ccc(F)cc3)no2)c1=O ZINC001652136121 1101441949 /nfs/dbraw/zinc/44/19/49/1101441949.db2.gz JDBWKYWAJOAKMK-UHFFFAOYSA-N 0 0 345.286 2.608 10 5 EFBERN CCc1cc2oc(=O)cc(Cn3ncc([N+](=O)[O-])n3)c2cc1Cl ZINC001652158544 1101444963 /nfs/dbraw/zinc/44/49/63/1101444963.db2.gz RMXOJKJLGGDAPF-UHFFFAOYSA-N 0 0 334.719 2.557 10 5 EFBERN O=[N+]([O-])c1nc(Br)n(Cc2cccc3ncccc23)n1 ZINC001652163226 1101445276 /nfs/dbraw/zinc/44/52/76/1101445276.db2.gz HLTAPPYNZCIGHH-UHFFFAOYSA-N 0 0 334.133 2.545 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccnc(-c4ccccn4)n3)nc2c1 ZINC001652171543 1101447029 /nfs/dbraw/zinc/44/70/29/1101447029.db2.gz QSGOALKCUFKARR-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1Nc1cccc([C@]2(C)COC(=O)N2)c1 ZINC001652174513 1101447369 /nfs/dbraw/zinc/44/73/69/1101447369.db2.gz UIKIQSYGPHILGE-INIZCTEOSA-N 0 0 328.328 2.997 10 5 EFBERN Cc1cc(N(C)CCn2cnnc2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001652188624 1101448889 /nfs/dbraw/zinc/44/88/89/1101448889.db2.gz HVSSNSKBDMAGIR-UHFFFAOYSA-N 0 0 329.282 2.650 10 5 EFBERN COc1ccc(OC)c([C@@H](O)[C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC001652204741 1101450765 /nfs/dbraw/zinc/45/07/65/1101450765.db2.gz VBBFQKYSSGAOEV-BZNIZROVSA-N 0 0 347.371 2.849 10 5 EFBERN C[C@@H](Nc1nc(Cl)nc2[nH]c(=O)[nH]c21)c1ccccc1[N+](=O)[O-] ZINC001652194966 1101451050 /nfs/dbraw/zinc/45/10/50/1101451050.db2.gz NGNPKWOUZZTFMD-ZCFIWIBFSA-N 0 0 334.723 2.793 10 5 EFBERN CNc1c(C(=O)NCc2c(C)cc(CO)cc2C)cccc1[N+](=O)[O-] ZINC001652199454 1101451100 /nfs/dbraw/zinc/45/11/00/1101451100.db2.gz VUNBEFLKUGAUMZ-UHFFFAOYSA-N 0 0 343.383 2.676 10 5 EFBERN COc1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1Cl ZINC001652207092 1101451624 /nfs/dbraw/zinc/45/16/24/1101451624.db2.gz CCKASJUOWXJMLO-UHFFFAOYSA-N 0 0 335.747 2.968 10 5 EFBERN CC(C)[C@H](Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001652223013 1101454893 /nfs/dbraw/zinc/45/48/93/1101454893.db2.gz VLODWIDZUSGIBA-AWEZNQCLSA-N 0 0 328.372 2.768 10 5 EFBERN O=C(COc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cnccn1 ZINC001652224233 1101454907 /nfs/dbraw/zinc/45/49/07/1101454907.db2.gz GAWAXTSJKZIHMN-UHFFFAOYSA-N 0 0 328.111 2.953 10 5 EFBERN O=[N+]([O-])c1c(N[C@H](CO)CCc2ccccc2)nc2ccccn21 ZINC001652245762 1101458344 /nfs/dbraw/zinc/45/83/44/1101458344.db2.gz LFGIVIJJWAUUDV-AWEZNQCLSA-N 0 0 326.356 2.648 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2nnc3ccccn32)c2ccccc21 ZINC001652242773 1101459063 /nfs/dbraw/zinc/45/90/63/1101459063.db2.gz MMTLPJOGURPBHD-UHFFFAOYSA-N 0 0 334.339 2.840 10 5 EFBERN NC(=O)c1ccnc(N[C@H]2C[C@H](c3ccc(F)cc3F)C2)c1[N+](=O)[O-] ZINC001652275178 1101467296 /nfs/dbraw/zinc/46/72/96/1101467296.db2.gz NFIMDXQOQFMSQF-CZMCAQCFSA-N 0 0 348.309 2.725 10 5 EFBERN CCc1nn(C)c(Nc2ccc([C@@H](C)CC(N)=O)cc2)c1[N+](=O)[O-] ZINC001652277425 1101467638 /nfs/dbraw/zinc/46/76/38/1101467638.db2.gz KBNGPATZUHLUQY-JTQLQIEISA-N 0 0 331.376 2.613 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[C@H](C)O ZINC001652300137 1101470852 /nfs/dbraw/zinc/47/08/52/1101470852.db2.gz ONMCKJNCLXTFEL-QMMMGPOBSA-N 0 0 330.768 2.854 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](c2cnn(C)c2)C(C)C)c1[N+](=O)[O-] ZINC001652294652 1101471544 /nfs/dbraw/zinc/47/15/44/1101471544.db2.gz WGPPIEGPJJEWEH-ZDUSSCGKSA-N 0 0 347.375 2.628 10 5 EFBERN COC(=O)c1ccnc(NCCCOc2cccc(F)c2)c1[N+](=O)[O-] ZINC001652307993 1101473851 /nfs/dbraw/zinc/47/38/51/1101473851.db2.gz SCNMPPIPALOGFQ-UHFFFAOYSA-N 0 0 349.318 2.797 10 5 EFBERN COC(=O)c1ccc2c(c1)OCCN(c1c(F)cccc1[N+](=O)[O-])C2 ZINC001652315560 1101475504 /nfs/dbraw/zinc/47/55/04/1101475504.db2.gz KOGAZMQYURXYTA-UHFFFAOYSA-N 0 0 346.314 2.920 10 5 EFBERN CCC(=O)c1ccc(NC[C@@H](O)c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC001652323508 1101476946 /nfs/dbraw/zinc/47/69/46/1101476946.db2.gz IKTZIEGZSIPEMC-MRXNPFEDSA-N 0 0 346.387 2.683 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)C2=CCOCC2)n1 ZINC001652327118 1101479594 /nfs/dbraw/zinc/47/95/94/1101479594.db2.gz QYXNJLOSWNECHZ-UHFFFAOYSA-N 0 0 335.360 2.561 10 5 EFBERN COc1c(C(=O)Nc2cnc3[nH]ccc3c2C)cccc1[N+](=O)[O-] ZINC001652468190 1101494436 /nfs/dbraw/zinc/49/44/36/1101494436.db2.gz YRJSUBNUJCHCLA-UHFFFAOYSA-N 0 0 326.312 2.992 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccc(Cl)cn1 ZINC001652482663 1101497444 /nfs/dbraw/zinc/49/74/44/1101497444.db2.gz LTPLKSRSMLFTDV-UHFFFAOYSA-N 0 0 326.761 2.926 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1nnc(C(C)(C)C)o1 ZINC001652483141 1101497557 /nfs/dbraw/zinc/49/75/57/1101497557.db2.gz URIWBXFVRCGPML-UHFFFAOYSA-N 0 0 339.373 2.558 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1nsc2ccccc12 ZINC001652572428 1101514501 /nfs/dbraw/zinc/51/45/01/1101514501.db2.gz ONXVUOACQGLOCK-UHFFFAOYSA-N 0 0 338.348 2.963 10 5 EFBERN O=[N+]([O-])c1ccc(OCCOc2nccc(C(F)(F)F)n2)cc1 ZINC001652615741 1101522601 /nfs/dbraw/zinc/52/26/01/1101522601.db2.gz DYFUGFLNLBWNGX-UHFFFAOYSA-N 0 0 329.234 2.861 10 5 EFBERN Cc1nn(Cc2ccc([N+](=O)[O-])cc2F)c2ncc([N+](=O)[O-])cc12 ZINC001652685797 1101531568 /nfs/dbraw/zinc/53/15/68/1101531568.db2.gz HQSDOVSCGHKKPI-UHFFFAOYSA-N 0 0 331.263 2.744 10 5 EFBERN COC(=O)c1cnc(COc2ccc([N+](=O)[O-])c3ccccc23)cn1 ZINC001652730419 1101536994 /nfs/dbraw/zinc/53/69/94/1101536994.db2.gz RUPIAZCTSKPTAQ-UHFFFAOYSA-N 0 0 339.307 2.904 10 5 EFBERN CC(C)OC(=O)c1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001652733555 1101537225 /nfs/dbraw/zinc/53/72/25/1101537225.db2.gz PHMJYMGYBDOMNW-SNVBAGLBSA-N 0 0 346.343 2.625 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cnc3n[nH]cc3c2)c1F ZINC001652725754 1101537778 /nfs/dbraw/zinc/53/77/78/1101537778.db2.gz VZNDIAROIXJXHE-UHFFFAOYSA-N 0 0 333.254 2.705 10 5 EFBERN C/C(=C\Cl)CSCC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001652797762 1101548403 /nfs/dbraw/zinc/54/84/03/1101548403.db2.gz WBTJYLGTMSYJHJ-RMKNXTFCSA-N 0 0 328.777 2.727 10 5 EFBERN Cc1cnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]c1=O ZINC001652851289 1101557247 /nfs/dbraw/zinc/55/72/47/1101557247.db2.gz CNJAEHGEJMUVGB-UHFFFAOYSA-N 0 0 345.340 2.741 10 5 EFBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2cccc(Br)c2)n1 ZINC001652855690 1101558872 /nfs/dbraw/zinc/55/88/72/1101558872.db2.gz GYKNHODMIDPRFJ-UHFFFAOYSA-N 0 0 327.094 2.510 10 5 EFBERN CC1(C)CC[C@@H](CCNC(=O)CNc2ccccc2[N+](=O)[O-])OC1 ZINC001652919166 1101565785 /nfs/dbraw/zinc/56/57/85/1101565785.db2.gz GPBXAUOXTHIOIZ-ZDUSSCGKSA-N 0 0 335.404 2.718 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCC1=O ZINC001625818604 1101566919 /nfs/dbraw/zinc/56/69/19/1101566919.db2.gz SYIPAWNJXHTUJM-GFCCVEGCSA-N 0 0 339.351 2.708 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001652939345 1101568739 /nfs/dbraw/zinc/56/87/39/1101568739.db2.gz URFWERWPEKLWBA-ZQUVKOLYSA-N 0 0 327.384 2.921 10 5 EFBERN C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC001653119430 1101588472 /nfs/dbraw/zinc/58/84/72/1101588472.db2.gz NYFNASMPHIBFJS-NOZJJQNGSA-N 0 0 329.194 2.560 10 5 EFBERN Cc1ccc(NC(=O)Cc2ccc3c[nH]nc3c2)c(N)c1[N+](=O)[O-] ZINC001653214950 1101597636 /nfs/dbraw/zinc/59/76/36/1101597636.db2.gz OVBNNKNMESUCOA-UHFFFAOYSA-N 0 0 325.328 2.543 10 5 EFBERN Cc1ccc(NC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)c(N)c1[N+](=O)[O-] ZINC001653218388 1101598056 /nfs/dbraw/zinc/59/80/56/1101598056.db2.gz WQUQZGXQHMEIGP-SCZZXKLOSA-N 0 0 347.293 2.924 10 5 EFBERN CNc1ccc(C(=O)N[C@@H]2CO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001653239747 1101600709 /nfs/dbraw/zinc/60/07/09/1101600709.db2.gz YYUFGEAUBJRHDO-ZBFHGGJFSA-N 0 0 327.340 2.506 10 5 EFBERN COc1c(F)nccc1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001653376578 1101615174 /nfs/dbraw/zinc/61/51/74/1101615174.db2.gz UFMPPLOYCDJPPN-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN O=C(Nc1n[nH]cc1-c1ccccc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001653403198 1101619413 /nfs/dbraw/zinc/61/94/13/1101619413.db2.gz WQPDRAVOVGHWRZ-UHFFFAOYSA-N 0 0 332.707 2.614 10 5 EFBERN C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC001653615047 1101635851 /nfs/dbraw/zinc/63/58/51/1101635851.db2.gz MYBGBZAKIGSWOJ-NRFANRHFSA-N 0 0 327.749 2.873 10 5 EFBERN Cc1ccc(CN(CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC001653707805 1101644503 /nfs/dbraw/zinc/64/45/03/1101644503.db2.gz MWMBFDWYFQTHGK-UHFFFAOYSA-N 0 0 327.384 2.998 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](CO)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001653736865 1101645835 /nfs/dbraw/zinc/64/58/35/1101645835.db2.gz CCLJZRBDWRRXBJ-AWEZNQCLSA-N 0 0 336.294 2.645 10 5 EFBERN CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001653727564 1101646352 /nfs/dbraw/zinc/64/63/52/1101646352.db2.gz YFZVMYZAZXLFKG-MRXNPFEDSA-N 0 0 345.786 2.926 10 5 EFBERN O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC001653769229 1101649799 /nfs/dbraw/zinc/64/97/99/1101649799.db2.gz MFMYLOBUNUHMQG-UHFFFAOYSA-N 0 0 329.234 2.752 10 5 EFBERN Cn1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c(C(F)F)n1 ZINC001653992315 1101668590 /nfs/dbraw/zinc/66/85/90/1101668590.db2.gz SXTCFMYFIHTJPF-UHFFFAOYSA-N 0 0 335.270 3.000 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001654038961 1101673549 /nfs/dbraw/zinc/67/35/49/1101673549.db2.gz WHCCVOMRPFPWRF-SNVBAGLBSA-N 0 0 342.417 2.834 10 5 EFBERN CCOc1ccccc1[C@@H](CC)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001626245184 1101686774 /nfs/dbraw/zinc/68/67/74/1101686774.db2.gz RUUVKZUYNLIRGZ-CYBMUJFWSA-N 0 0 344.371 2.852 10 5 EFBERN Cc1c(CNC(=O)c2ccc3c(n2)CCCN3)cccc1[N+](=O)[O-] ZINC001654483624 1101721897 /nfs/dbraw/zinc/72/18/97/1101721897.db2.gz MFTHQZKAYGEOIQ-UHFFFAOYSA-N 0 0 326.356 2.586 10 5 EFBERN COc1nccc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)ccc21 ZINC001654583707 1101737556 /nfs/dbraw/zinc/73/75/56/1101737556.db2.gz HJPJFQUCNGQLJJ-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN Nc1ccc(C(=O)N2CCC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC001143382675 1101737530 /nfs/dbraw/zinc/73/75/30/1101737530.db2.gz BKWFPYRTMXIMDI-AWEZNQCLSA-N 0 0 326.356 2.592 10 5 EFBERN O=C(Nc1c[nH][nH]c1=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001654603549 1101739337 /nfs/dbraw/zinc/73/93/37/1101739337.db2.gz SNIUAKCNNZONHJ-UHFFFAOYSA-N 0 0 335.078 2.722 10 5 EFBERN CNc1nc(C)ccc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001143383158 1101742775 /nfs/dbraw/zinc/74/27/75/1101742775.db2.gz OZEGGFAMAGGSMA-UHFFFAOYSA-N 0 0 336.298 2.548 10 5 EFBERN COC(OC)c1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001654806700 1101759159 /nfs/dbraw/zinc/75/91/59/1101759159.db2.gz QUTOAPSEKJZYLR-SNVBAGLBSA-N 0 0 334.328 2.970 10 5 EFBERN CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001655069656 1101782381 /nfs/dbraw/zinc/78/23/81/1101782381.db2.gz NEAJTSBCADXEGU-MAUKXSAKSA-N 0 0 333.432 2.995 10 5 EFBERN CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001655069655 1101782476 /nfs/dbraw/zinc/78/24/76/1101782476.db2.gz NEAJTSBCADXEGU-CRAIPNDOSA-N 0 0 333.432 2.995 10 5 EFBERN Cn1cc([N+](=O)[O-])c(Sc2cc3c(cc2Cl)OCCO3)n1 ZINC001655086228 1101784401 /nfs/dbraw/zinc/78/44/01/1101784401.db2.gz ADHMEHRVTKUJCE-UHFFFAOYSA-N 0 0 327.749 2.904 10 5 EFBERN CCc1ccc(Oc2nc(Cl)nc3[nH]c(=O)[nH]c32)c([N+](=O)[O-])c1 ZINC001655122692 1101787483 /nfs/dbraw/zinc/78/74/83/1101787483.db2.gz MCSCGKBZUGPSQV-UHFFFAOYSA-N 0 0 335.707 2.975 10 5 EFBERN CC[C@@H](C)[C@@](C)(O)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001655132224 1101788224 /nfs/dbraw/zinc/78/82/24/1101788224.db2.gz 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CC(C)C1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000125564821 222579306 /nfs/dbraw/zinc/57/93/06/222579306.db2.gz DFSBRHVYXRADKS-UHFFFAOYSA-N 0 0 326.418 2.871 10 5 EFBERN Cc1cnc(CCN(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)s1 ZINC000125604080 222583179 /nfs/dbraw/zinc/58/31/79/222583179.db2.gz ACQKZWCMXWLQBU-UHFFFAOYSA-N 0 0 341.339 2.953 10 5 EFBERN Cc1nn(C)c(NCCOc2cccc3c2OC(C)(C)C3)c1[N+](=O)[O-] ZINC000051917361 214108755 /nfs/dbraw/zinc/10/87/55/214108755.db2.gz UFZBYEZDMVVTGV-UHFFFAOYSA-N 0 0 346.387 2.841 10 5 EFBERN Cc1ccccc1C[C@H](C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000052465961 214129676 /nfs/dbraw/zinc/12/96/76/214129676.db2.gz GPXIKWHKKLKHPY-ZDUSSCGKSA-N 0 0 338.367 2.954 10 5 EFBERN CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153679100 529394093 /nfs/dbraw/zinc/39/40/93/529394093.db2.gz FJXUGBUYKMEZIN-CYBMUJFWSA-N 0 0 343.374 2.635 10 5 EFBERN C[C@H](Sc1nnc([C@H]2CCCCO2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000173769830 231028888 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2.713 10 5 EFBERN CC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177787859 529537782 /nfs/dbraw/zinc/53/77/82/529537782.db2.gz TXSOMUMZKMVZQY-KCXAZCMYSA-N 0 0 336.388 2.746 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NC[C@H](O)c1ccccc1OC ZINC000175010316 231365853 /nfs/dbraw/zinc/36/58/53/231365853.db2.gz FNJDCTGLWKRWSR-INIZCTEOSA-N 0 0 332.356 2.895 10 5 EFBERN O=C(Nc1nccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000004661936 210240645 /nfs/dbraw/zinc/24/06/45/210240645.db2.gz ZPZKRKGSPHXIPT-UHFFFAOYSA-N 0 0 328.693 2.865 10 5 EFBERN CC[C@@H](NC(=O)N(C)CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000129938461 529605508 /nfs/dbraw/zinc/60/55/08/529605508.db2.gz FDHIVHYBTISQIH-OAHLLOKOSA-N 0 0 335.404 2.992 10 5 EFBERN CC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000177785857 529601073 /nfs/dbraw/zinc/60/10/73/529601073.db2.gz UTCVEXGYPDRRGG-MRXNPFEDSA-N 0 0 330.388 2.755 10 5 EFBERN CC[C@@H](NC(=O)Nc1ccn(CCOC)n1)c1cccc([N+](=O)[O-])c1 ZINC000176708933 529649888 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CC(C)(C)NN=c1nc[nH]c(NCCc2cccs2)c1[N+](=O)[O-] ZINC000040659946 213365421 /nfs/dbraw/zinc/36/54/21/213365421.db2.gz UEAHAJQIXLIZHU-UHFFFAOYSA-N 0 0 336.421 2.816 10 5 EFBERN CC(C)Oc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000040646213 213363835 /nfs/dbraw/zinc/36/38/35/213363835.db2.gz XSGWIIGATUKKMX-UHFFFAOYSA-N 0 0 332.316 2.687 10 5 EFBERN COC(=O)c1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040649821 213363786 /nfs/dbraw/zinc/36/37/86/213363786.db2.gz XMRFAVZTOOHMHC-UHFFFAOYSA-N 0 0 332.316 2.702 10 5 EFBERN CCN(CCO)c1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040614100 213358279 /nfs/dbraw/zinc/35/82/79/213358279.db2.gz XMRGZQUVKAZZMG-UHFFFAOYSA-N 0 0 337.767 2.600 10 5 EFBERN CCN(CC)c1ncnc(Oc2ccc(C(=O)OC)cc2)c1[N+](=O)[O-] ZINC000040587556 213354828 /nfs/dbraw/zinc/35/48/28/213354828.db2.gz URWCHMSBIJBLJB-UHFFFAOYSA-N 0 0 346.343 2.810 10 5 EFBERN CCN(CC)c1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000040608024 213358368 /nfs/dbraw/zinc/35/83/68/213358368.db2.gz 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O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412663023 243373859 /nfs/dbraw/zinc/37/38/59/243373859.db2.gz BOSDXATYIHEGLU-INIZCTEOSA-N 0 0 340.383 2.588 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C1=O ZINC000020531566 212143948 /nfs/dbraw/zinc/14/39/48/212143948.db2.gz CJVYNXVAGCEANZ-LLVKDONJSA-N 0 0 325.324 2.578 10 5 EFBERN COc1ccccc1N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413179151 243522201 /nfs/dbraw/zinc/52/22/01/243522201.db2.gz CBIFBWYYGKCSDS-LLVKDONJSA-N 0 0 332.335 2.828 10 5 EFBERN C[C@H](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[S@](C)=O ZINC000413192398 243528919 /nfs/dbraw/zinc/52/89/19/243528919.db2.gz IQMRGDPSFJSDMW-QFWYVNQISA-N 0 0 325.312 2.578 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000414046088 243977593 /nfs/dbraw/zinc/97/75/93/243977593.db2.gz XOMMYJJHFQLNRZ-QWRGUYRKSA-N 0 0 326.780 2.790 10 5 EFBERN O=[N+]([O-])c1n[nH]cc1-c1noc(-c2cccc(Br)c2)n1 ZINC000020436951 212128928 /nfs/dbraw/zinc/12/89/28/212128928.db2.gz LQQFYOQXZTZHHK-UHFFFAOYSA-N 0 0 336.105 2.797 10 5 EFBERN C[C@@H](O)[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000414575981 244243473 /nfs/dbraw/zinc/24/34/73/244243473.db2.gz FSVBSRFCYSBQGN-WBMJQRKESA-N 0 0 348.424 2.905 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178322095 284149904 /nfs/dbraw/zinc/14/99/04/284149904.db2.gz XDLNMLBQSAXQQL-UKRRQHHQSA-N 0 0 332.743 2.636 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000249348330 284165348 /nfs/dbraw/zinc/16/53/48/284165348.db2.gz VTRKCBFIFLDBOH-MAZHCROVSA-N 0 0 346.383 2.850 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000249514097 284166076 /nfs/dbraw/zinc/16/60/76/284166076.db2.gz ZBWPUMGUQLBGMU-WCQGTBRESA-N 0 0 338.385 2.603 10 5 EFBERN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])n[nH]1 ZINC000354735055 284176017 /nfs/dbraw/zinc/17/60/17/284176017.db2.gz RATNYMGAXAECCI-JTQLQIEISA-N 0 0 336.735 2.615 10 5 EFBERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000249343828 284191004 /nfs/dbraw/zinc/19/10/04/284191004.db2.gz TZUFWMDYQKPPBV-MXWKQRLJSA-N 0 0 338.385 2.603 10 5 EFBERN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187013296 284229905 /nfs/dbraw/zinc/22/99/05/284229905.db2.gz WBXSZPPZDGCCQQ-LBPRGKRZSA-N 0 0 333.731 2.766 10 5 EFBERN CC(C)(NC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000418450629 245161903 /nfs/dbraw/zinc/16/19/03/245161903.db2.gz LTTDBYFYFPDCAQ-HNNXBMFYSA-N 0 0 342.399 2.829 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439921603 296164776 /nfs/dbraw/zinc/16/47/76/296164776.db2.gz OMNXDJFDNQOSCL-CHWSQXEVSA-N 0 0 343.383 2.965 10 5 EFBERN Nc1c(F)c(NCC[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000418987523 245325808 /nfs/dbraw/zinc/32/58/08/245325808.db2.gz HJWYSJGMAXUHQX-JTQLQIEISA-N 0 0 333.319 2.958 10 5 EFBERN COc1cc(NCC(C)(C)C2(O)CCOCC2)c([N+](=O)[O-])cc1F ZINC000419016708 245330887 /nfs/dbraw/zinc/33/08/87/245330887.db2.gz MTLIVSWDCKNTNH-UHFFFAOYSA-N 0 0 342.367 2.722 10 5 EFBERN CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000428563512 284259533 /nfs/dbraw/zinc/25/95/33/284259533.db2.gz DDWWCPUHTHGFPG-CQSZACIVSA-N 0 0 341.367 2.908 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCO1 ZINC000045625518 213745427 /nfs/dbraw/zinc/74/54/27/213745427.db2.gz JACZELIGKPTISY-PELKAZGASA-N 0 0 343.177 2.655 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCOC[C@H]1c1ccco1 ZINC000368622262 296176484 /nfs/dbraw/zinc/17/64/84/296176484.db2.gz DCPVNFYKXAVCRW-ZDUSSCGKSA-N 0 0 338.266 2.680 10 5 EFBERN CC(=O)Nc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000078417952 217050047 /nfs/dbraw/zinc/05/00/47/217050047.db2.gz NKQICEXRXQUXHL-UHFFFAOYSA-N 0 0 341.367 2.834 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000360062313 284316065 /nfs/dbraw/zinc/31/60/65/284316065.db2.gz WMNSONZZNUMDJA-AXTRIDKLSA-N 0 0 330.262 2.977 10 5 EFBERN O=C(NC1CC1)c1ccc(N[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078850391 217135458 /nfs/dbraw/zinc/13/54/58/217135458.db2.gz TUYUCBMNQSNUCU-MRXNPFEDSA-N 0 0 341.367 2.633 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(C2CC2)CC1 ZINC000339329534 296186713 /nfs/dbraw/zinc/18/67/13/296186713.db2.gz DPKGPWCPHASFJL-UHFFFAOYSA-N 0 0 343.305 2.534 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@]12CCOC2 ZINC000422064447 296186746 /nfs/dbraw/zinc/18/67/46/296186746.db2.gz JQVZLPNAQLVSJB-CYBMUJFWSA-N 0 0 330.262 2.619 10 5 EFBERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000110756439 220064994 /nfs/dbraw/zinc/06/49/94/220064994.db2.gz MLRPAOFKRNUDTK-ZDUSSCGKSA-N 0 0 343.387 2.534 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110883638 220075094 /nfs/dbraw/zinc/07/50/94/220075094.db2.gz LFHCZUSOJNOMCY-CYBMUJFWSA-N 0 0 333.369 2.573 10 5 EFBERN COCCn1nc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000079996801 217270665 /nfs/dbraw/zinc/27/06/65/217270665.db2.gz PLGVLIUIEBWVSH-UHFFFAOYSA-N 0 0 338.389 2.677 10 5 EFBERN C[C@H](C1CC1)n1nccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079944619 217265866 /nfs/dbraw/zinc/26/58/66/217265866.db2.gz JZVGJOFPPNEXHO-GFCCVEGCSA-N 0 0 343.387 2.837 10 5 EFBERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000111426435 220154184 /nfs/dbraw/zinc/15/41/84/220154184.db2.gz FDUUTSUAUQGDDU-OAHLLOKOSA-N 0 0 329.360 2.969 10 5 EFBERN Cc1c(NC(=O)N2CCO[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000111707208 220183532 /nfs/dbraw/zinc/18/35/32/220183532.db2.gz SFUHMHQPIHIKAH-ZDUSSCGKSA-N 0 0 348.384 2.965 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000081449885 217399545 /nfs/dbraw/zinc/39/95/45/217399545.db2.gz NEKMCQUFCYRHLJ-SNVBAGLBSA-N 0 0 347.371 2.878 10 5 EFBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC1CCCC1 ZINC000081426218 217394097 /nfs/dbraw/zinc/39/40/97/217394097.db2.gz DCNRMKQOSJIMGU-JTQLQIEISA-N 0 0 345.355 2.680 10 5 EFBERN Cc1oc(C2CC2)nc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000353927679 146590806 /nfs/dbraw/zinc/59/08/06/146590806.db2.gz VPTURLHJJTUCOK-UHFFFAOYSA-N 0 0 338.323 2.991 10 5 EFBERN CN(CC(=O)NC[C@@H]1CC12CCSCC2)c1ccccc1[N+](=O)[O-] ZINC000421587146 246025446 /nfs/dbraw/zinc/02/54/46/246025446.db2.gz HFOHRBIKNTUUGK-ZDUSSCGKSA-N 0 0 349.456 2.681 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1CC(F)F ZINC000421535149 246009742 /nfs/dbraw/zinc/00/97/42/246009742.db2.gz AYLKIZATBDURTL-LLVKDONJSA-N 0 0 328.315 2.708 10 5 EFBERN CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421540754 246010601 /nfs/dbraw/zinc/01/06/01/246010601.db2.gz KRQSUQSEILFMKD-AWEZNQCLSA-N 0 0 347.415 2.733 10 5 EFBERN C[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccnn1C ZINC000421545942 246013094 /nfs/dbraw/zinc/01/30/94/246013094.db2.gz AVIGXIGUIIZDCV-UKRRQHHQSA-N 0 0 342.399 2.838 10 5 EFBERN CC[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000421673012 246058911 /nfs/dbraw/zinc/05/89/11/246058911.db2.gz WGDZZYMLINSQQI-OCCSQVGLSA-N 0 0 331.372 2.692 10 5 EFBERN Cc1nn(C[C@H](O)c2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000264083743 246049170 /nfs/dbraw/zinc/04/91/70/246049170.db2.gz FHCPZQWVHFLMQA-LBPRGKRZSA-N 0 0 340.177 2.904 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)c1ccnn1C ZINC000421893298 246153740 /nfs/dbraw/zinc/15/37/40/246153740.db2.gz OUEYVPCZPXGBRN-NSHDSACASA-N 0 0 331.376 2.891 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000421900904 246159939 /nfs/dbraw/zinc/15/99/39/246159939.db2.gz QEYLBVDTTWAIMU-GXFFZTMASA-N 0 0 346.305 2.597 10 5 EFBERN Nc1c(C(=O)NC[C@H]2CC23CCSCC3)cc(F)cc1[N+](=O)[O-] ZINC000421907270 246161243 /nfs/dbraw/zinc/16/12/43/246161243.db2.gz CONGUXDRQJCOTL-SECBINFHSA-N 0 0 339.392 2.579 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](O)CC12CCC2 ZINC000422012312 246218361 /nfs/dbraw/zinc/21/83/61/246218361.db2.gz BTJLEGWOJKITFC-OWCLPIDISA-N 0 0 330.384 2.604 10 5 EFBERN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@]12CCOC2 ZINC000422063866 246247335 /nfs/dbraw/zinc/24/73/35/246247335.db2.gz AKCASOZGIAKKKO-INIZCTEOSA-N 0 0 345.380 2.723 10 5 EFBERN C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000422113431 246263193 /nfs/dbraw/zinc/26/31/93/246263193.db2.gz JPABRSFDMCSBNP-PSASIEDQSA-N 0 0 332.278 2.599 10 5 EFBERN CC[C@H](NC(=O)N1C[C@@H](C)C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000422184745 246289456 /nfs/dbraw/zinc/28/94/56/246289456.db2.gz OKPCESFJLJPQIM-XEZPLFJOSA-N 0 0 335.404 2.706 10 5 EFBERN Nc1c(C(=O)N2CCC(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000084339156 217597813 /nfs/dbraw/zinc/59/78/13/217597813.db2.gz CPDVDPQTYYGAIA-UHFFFAOYSA-N 0 0 341.367 2.902 10 5 EFBERN O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000424884278 246895135 /nfs/dbraw/zinc/89/51/35/246895135.db2.gz ZKHPHMWDFLKISV-UHFFFAOYSA-N 0 0 344.289 2.858 10 5 EFBERN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000425030096 246940741 /nfs/dbraw/zinc/94/07/41/246940741.db2.gz KYWSVMIWXCCFRY-GOSISDBHSA-N 0 0 348.399 2.718 10 5 EFBERN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1C(=O)OC(C)(C)C ZINC000425035897 246944775 /nfs/dbraw/zinc/94/47/75/246944775.db2.gz IFYYVCFPXRPJGS-ZWNOBZJWSA-N 0 0 337.376 2.505 10 5 EFBERN Cc1cc(N2CCC([C@@H](C)O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264833182 246952353 /nfs/dbraw/zinc/95/23/53/246952353.db2.gz ZVTZKZYHMULXIN-CYBMUJFWSA-N 0 0 342.399 2.957 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCC(OC3CCC3)CC2)c1[N+](=O)[O-] ZINC000418969913 284523477 /nfs/dbraw/zinc/52/34/77/284523477.db2.gz GZJNQUHHPGCJFO-UHFFFAOYSA-N 0 0 349.387 2.623 10 5 EFBERN COc1cccc(N2CC[C@H](c3nc(C4CC4)no3)C2)c1[N+](=O)[O-] ZINC000425254345 247018931 /nfs/dbraw/zinc/01/89/31/247018931.db2.gz NCRSDCPYSVIBTQ-NSHDSACASA-N 0 0 330.344 2.858 10 5 EFBERN Nc1c(F)c(N2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000425259845 247019977 /nfs/dbraw/zinc/01/99/77/247019977.db2.gz YSUHRKZZQFGUNR-SECBINFHSA-N 0 0 333.323 2.570 10 5 EFBERN COc1cc(N2CC[C@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000425258453 247020379 /nfs/dbraw/zinc/02/03/79/247020379.db2.gz WJBZNRIMCNRLHD-NSHDSACASA-N 0 0 330.344 2.858 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(CC(F)F)C2)c(Cl)c1 ZINC000425217119 247004241 /nfs/dbraw/zinc/00/42/41/247004241.db2.gz APIGWMSDEACJRI-UHFFFAOYSA-N 0 0 340.735 2.524 10 5 EFBERN Cn1cc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000425230127 247007424 /nfs/dbraw/zinc/00/74/24/247007424.db2.gz CQZYKNOWMZTRDS-AWEZNQCLSA-N 0 0 331.376 2.627 10 5 EFBERN Cc1cc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)no1 ZINC000264925927 247052236 /nfs/dbraw/zinc/05/22/36/247052236.db2.gz NNFYWBGERUZRRF-UHFFFAOYSA-N 0 0 344.371 2.764 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H](c4nnc[nH]4)C3)n2)cc1 ZINC000425280136 247026804 /nfs/dbraw/zinc/02/68/04/247026804.db2.gz HDKMRAOXELKTKJ-LLVKDONJSA-N 0 0 342.384 2.830 10 5 EFBERN Cc1nc(C)c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000425305009 247034841 /nfs/dbraw/zinc/03/48/41/247034841.db2.gz NUWLOMGHRFAHGO-UHFFFAOYSA-N 0 0 335.335 2.933 10 5 EFBERN COc1ccnc(N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000425610603 247145287 /nfs/dbraw/zinc/14/52/87/247145287.db2.gz QHAGOOZXOPVOER-UHFFFAOYSA-N 0 0 329.356 2.939 10 5 EFBERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000088280676 217744922 /nfs/dbraw/zinc/74/49/22/217744922.db2.gz SWDRXWKVOOAVMJ-NSHDSACASA-N 0 0 349.778 2.667 10 5 EFBERN COc1ccc(CNC(=O)N[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000425985609 247223474 /nfs/dbraw/zinc/22/34/74/247223474.db2.gz RYMQQWRITJXZCS-UBHUBRDASA-N 0 0 333.388 2.981 10 5 EFBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000426738891 247293212 /nfs/dbraw/zinc/29/32/12/247293212.db2.gz ZPKLPLBNFYGBBT-FVQHAEBGSA-N 0 0 345.399 2.946 10 5 EFBERN COC(=O)c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000427338235 247339007 /nfs/dbraw/zinc/33/90/07/247339007.db2.gz OLNIYYPULBERCA-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN COC(=O)c1ncccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000427338842 247339395 /nfs/dbraw/zinc/33/93/95/247339395.db2.gz QTVBDJFDKHOMOG-SECBINFHSA-N 0 0 347.302 2.658 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)n1 ZINC000427333470 247339552 /nfs/dbraw/zinc/33/95/52/247339552.db2.gz ZQGITTYBXVYKHC-RKDXNWHRSA-N 0 0 334.298 2.614 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000427357179 247341644 /nfs/dbraw/zinc/34/16/44/247341644.db2.gz LQRHDRAAADLIQC-UHFFFAOYSA-N 0 0 328.328 2.832 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000427360806 247341808 /nfs/dbraw/zinc/34/18/08/247341808.db2.gz UJCRLPJZQVOFKQ-UHFFFAOYSA-N 0 0 340.339 2.800 10 5 EFBERN C[C@@](NCc1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000426803752 247301514 /nfs/dbraw/zinc/30/15/14/247301514.db2.gz PAVGBIFHGDJIEH-AWEZNQCLSA-N 0 0 339.804 2.800 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(C)c3)C2)n1 ZINC000427373834 247343609 /nfs/dbraw/zinc/34/36/09/247343609.db2.gz DKCRTBCXTRADRB-AWEZNQCLSA-N 0 0 328.372 2.749 10 5 EFBERN CCc1ccc(NC(=O)c2cccc3c2OCC(=O)N3)cc1[N+](=O)[O-] ZINC000089286511 217782889 /nfs/dbraw/zinc/78/28/89/217782889.db2.gz DSDCZVGZKRKJOJ-UHFFFAOYSA-N 0 0 341.323 2.740 10 5 EFBERN Cc1nnc(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000427725408 247386550 /nfs/dbraw/zinc/38/65/50/247386550.db2.gz AGCDIIZOYMOERE-UHFFFAOYSA-N 0 0 344.299 2.633 10 5 EFBERN O=[N+]([O-])c1ccc(OCc2nccn2Cc2ccccc2)cc1CO ZINC000428082354 247433656 /nfs/dbraw/zinc/43/36/56/247433656.db2.gz YWXUDEWZBZNFBE-UHFFFAOYSA-N 0 0 339.351 2.911 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1Cc2cccc(O)c2C1)c1ccccc1[N+](=O)[O-] ZINC000428970592 247558307 /nfs/dbraw/zinc/55/83/07/247558307.db2.gz YSUQMWHNNZHRED-DGCLKSJQSA-N 0 0 341.367 2.828 10 5 EFBERN O=C([C@H]1CCC[C@@H](F)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000424543971 284558630 /nfs/dbraw/zinc/55/86/30/284558630.db2.gz MZLKCEISBWXUDG-UONOGXRCSA-N 0 0 335.379 2.772 10 5 EFBERN O=C(NCc1cscn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429809741 247688549 /nfs/dbraw/zinc/68/85/49/247688549.db2.gz OZKATWDSHIWKNK-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN Cc1cc(OCC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000430801367 247838076 /nfs/dbraw/zinc/83/80/76/247838076.db2.gz ZIFAAYKVJBSREY-LSDHHAIUSA-N 0 0 348.399 2.557 10 5 EFBERN CCC[C@@H](C)C(=O)NCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000431512705 247908063 /nfs/dbraw/zinc/90/80/63/247908063.db2.gz HIIUWSPSMJOXQA-GFCCVEGCSA-N 0 0 330.388 2.529 10 5 EFBERN Cc1nc([C@@](C)(NCCOc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000433302024 248041576 /nfs/dbraw/zinc/04/15/76/248041576.db2.gz WWRNZHWMHXCBIN-INIZCTEOSA-N 0 0 332.360 2.580 10 5 EFBERN CN(CC(=O)N1CC[C@H](CC(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000433740085 248084174 /nfs/dbraw/zinc/08/41/74/248084174.db2.gz ONLGQLJBKDCKNF-LLVKDONJSA-N 0 0 345.321 2.832 10 5 EFBERN COc1cccc(C[C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1 ZINC000433743777 248084816 /nfs/dbraw/zinc/08/48/16/248084816.db2.gz ZEHQHXIOWIODNQ-NSHDSACASA-N 0 0 346.387 2.811 10 5 EFBERN COc1ccccc1CCN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433751247 248085903 /nfs/dbraw/zinc/08/59/03/248085903.db2.gz LAPBCKRKCCBNRE-UHFFFAOYSA-N 0 0 346.387 2.765 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](O)Cc2ccccc21 ZINC000447714447 284599148 /nfs/dbraw/zinc/59/91/48/284599148.db2.gz MQKOPPXMMCDDJY-ZDUSSCGKSA-N 0 0 337.335 2.640 10 5 EFBERN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc([N+](=O)[O-])s1 ZINC000435285811 248223454 /nfs/dbraw/zinc/22/34/54/248223454.db2.gz UYEOOOJESFWRMK-SNVBAGLBSA-N 0 0 331.353 2.512 10 5 EFBERN O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000435290013 248223892 /nfs/dbraw/zinc/22/38/92/248223892.db2.gz JIQYRVIFJMXWAW-NSHDSACASA-N 0 0 343.314 2.590 10 5 EFBERN CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000266287810 248226134 /nfs/dbraw/zinc/22/61/34/248226134.db2.gz XUFZHNZPZHFZAN-LLVKDONJSA-N 0 0 345.321 2.832 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3nc4sccn4c3[N+](=O)[O-])c2)CN1 ZINC000434951125 248199430 /nfs/dbraw/zinc/19/94/30/248199430.db2.gz OUBKNWXONKMSQL-JTQLQIEISA-N 0 0 343.368 2.651 10 5 EFBERN Cc1cccc(C(=O)NCCNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000434952905 248199438 /nfs/dbraw/zinc/19/94/38/248199438.db2.gz WSPQFECMAXDDHO-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3C[C@H]3c3ccc(Cl)c(F)c3)nn21 ZINC000435567636 249376996 /nfs/dbraw/zinc/37/69/96/249376996.db2.gz DPVVLDMSKMUVCV-JOYOIKCWSA-N 0 0 347.737 2.820 10 5 EFBERN CCN(c1cccnc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000435630927 249389722 /nfs/dbraw/zinc/38/97/22/249389722.db2.gz ZJQFYJWOVLMYAH-UHFFFAOYSA-N 0 0 339.348 2.653 10 5 EFBERN COC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000437375003 249672080 /nfs/dbraw/zinc/67/20/80/249672080.db2.gz QQYHPZIWOQNLMS-OAHLLOKOSA-N 0 0 336.294 2.991 10 5 EFBERN CC[C@H](NC(=O)NCCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090559022 217940166 /nfs/dbraw/zinc/94/01/66/217940166.db2.gz GCKVOSBZHNWFTL-INIZCTEOSA-N 0 0 345.403 2.711 10 5 EFBERN CC[C@H](NC(=O)N(C)CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000090684520 217949054 /nfs/dbraw/zinc/94/90/54/217949054.db2.gz KPABFKJJDVQGPD-INIZCTEOSA-N 0 0 345.403 2.974 10 5 EFBERN CCCc1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)n[nH]1 ZINC000439915057 249873969 /nfs/dbraw/zinc/87/39/69/249873969.db2.gz OHSWLJZHGOJPDE-UHFFFAOYSA-N 0 0 333.348 2.735 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(=O)Cc1ccccc1 ZINC000440985006 249983197 /nfs/dbraw/zinc/98/31/97/249983197.db2.gz IZCRJMBRBTWNDM-ZDUSSCGKSA-N 0 0 326.352 2.833 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441209090 250008937 /nfs/dbraw/zinc/00/89/37/250008937.db2.gz RVLYZGVMYPDBAX-RBSFLKMASA-N 0 0 347.415 2.670 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCOCC1 ZINC000092260992 218130570 /nfs/dbraw/zinc/13/05/70/218130570.db2.gz LPVFGEZPTSGJLC-UHFFFAOYSA-N 0 0 333.262 2.988 10 5 EFBERN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(N2CCOCC2)c1 ZINC000441810198 250055727 /nfs/dbraw/zinc/05/57/27/250055727.db2.gz JITDPQJIJRLKJF-UHFFFAOYSA-N 0 0 328.372 2.747 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000441896355 250058001 /nfs/dbraw/zinc/05/80/01/250058001.db2.gz KYUIWDQDWXMHIF-JTQLQIEISA-N 0 0 347.375 2.836 10 5 EFBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000442713837 250105623 /nfs/dbraw/zinc/10/56/23/250105623.db2.gz IWZPIJAYFVTJEI-UHFFFAOYSA-N 0 0 327.344 2.770 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC(C)(C)C1 ZINC000442766064 250113450 /nfs/dbraw/zinc/11/34/50/250113450.db2.gz JHTIVRWZKMQUPA-NSHDSACASA-N 0 0 342.417 2.851 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)no1 ZINC000443188241 250170683 /nfs/dbraw/zinc/17/06/83/250170683.db2.gz QDGQQMBUKRCSEW-UHFFFAOYSA-N 0 0 343.343 2.687 10 5 EFBERN C[C@@H]1COC[C@H](C)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093606856 218234157 /nfs/dbraw/zinc/23/41/57/218234157.db2.gz HKRSDGSSBFSCFI-AOOOYVTPSA-N 0 0 329.194 2.967 10 5 EFBERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093606858 218234583 /nfs/dbraw/zinc/23/45/83/218234583.db2.gz HKRSDGSSBFSCFI-NXEZZACHSA-N 0 0 329.194 2.967 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)no1 ZINC000443363320 250190607 /nfs/dbraw/zinc/19/06/07/250190607.db2.gz VOWZLRDQSAHPRK-UHFFFAOYSA-N 0 0 343.343 2.687 10 5 EFBERN COc1ccc(C)cc1NC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000009539525 211099808 /nfs/dbraw/zinc/09/98/08/211099808.db2.gz MYVTUSRPYANRDU-UHFFFAOYSA-N 0 0 331.328 2.633 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000443780093 250223373 /nfs/dbraw/zinc/22/33/73/250223373.db2.gz KQMXWJVHEMNDEE-NSHDSACASA-N 0 0 334.344 2.592 10 5 EFBERN CC(C)N(Cc1ccco1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443703305 250220483 /nfs/dbraw/zinc/22/04/83/250220483.db2.gz COYKRWBHCLGEQK-UHFFFAOYSA-N 0 0 338.385 2.928 10 5 EFBERN O=C(COc1ccsc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000443534773 250204757 /nfs/dbraw/zinc/20/47/57/250204757.db2.gz UFQACXVJKGDJER-UHFFFAOYSA-N 0 0 344.352 2.860 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])o1)Nc1n[nH]c(-c2ccccc2)n1 ZINC000009478599 211089064 /nfs/dbraw/zinc/08/90/64/211089064.db2.gz GPMRYFDIJDFOSO-SOFGYWHQSA-N 0 0 325.284 2.625 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCCO2 ZINC000009456552 211086511 /nfs/dbraw/zinc/08/65/11/211086511.db2.gz UAQNSSXRWHWHFG-VIFPVBQESA-N 0 0 334.353 2.919 10 5 EFBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000444128383 250262890 /nfs/dbraw/zinc/26/28/90/250262890.db2.gz FXDHBUHQPGYOTM-OKILXGFUSA-N 0 0 334.375 2.685 10 5 EFBERN C[C@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccnc1 ZINC000444630754 250319986 /nfs/dbraw/zinc/31/99/86/250319986.db2.gz IJSNVFVMWYGSDI-LLVKDONJSA-N 0 0 339.355 2.676 10 5 EFBERN Cc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n(C)n1 ZINC000444861244 250359261 /nfs/dbraw/zinc/35/92/61/250359261.db2.gz SHYRJSJVPXYMHH-UHFFFAOYSA-N 0 0 332.363 2.976 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000444896656 250362095 /nfs/dbraw/zinc/36/20/95/250362095.db2.gz MMKVNBSOQMVUOJ-QWHCGFSZSA-N 0 0 349.387 2.884 10 5 EFBERN C/C=C/C[C@@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445214056 250395381 /nfs/dbraw/zinc/39/53/81/250395381.db2.gz OQUSNFSNGMLNLK-IBUXWKBASA-N 0 0 336.391 2.738 10 5 EFBERN Cn1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000445000815 250373238 /nfs/dbraw/zinc/37/32/38/250373238.db2.gz PFUNRYPNSNMTJC-UHFFFAOYSA-N 0 0 331.375 2.950 10 5 EFBERN O=C(NCCn1cccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445005812 250373269 /nfs/dbraw/zinc/37/32/69/250373269.db2.gz DTTPRSVHFJBJJY-UHFFFAOYSA-N 0 0 331.375 2.913 10 5 EFBERN Cc1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)on1 ZINC000445159102 250391810 /nfs/dbraw/zinc/39/18/10/250391810.db2.gz MUNSEVNUQGFGDO-UHFFFAOYSA-N 0 0 333.347 2.908 10 5 EFBERN Cc1ccc(CCCc2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1 ZINC000445570340 250411293 /nfs/dbraw/zinc/41/12/93/250411293.db2.gz FGJQOGUZCLTLSF-UHFFFAOYSA-N 0 0 327.344 2.862 10 5 EFBERN O=C(Cc1noc(CCC2CCC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000445706974 250418678 /nfs/dbraw/zinc/41/86/78/250418678.db2.gz JHOSEVFJQOCGQY-UHFFFAOYSA-N 0 0 344.371 2.569 10 5 EFBERN O=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000095117321 218281546 /nfs/dbraw/zinc/28/15/46/218281546.db2.gz MPKZQPDOCMURGV-UHFFFAOYSA-N 0 0 340.085 2.982 10 5 EFBERN CC(C)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000446517281 250505030 /nfs/dbraw/zinc/50/50/30/250505030.db2.gz FMUPEDGTPJQDMC-NSHDSACASA-N 0 0 329.356 2.967 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CC[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000446317253 250488251 /nfs/dbraw/zinc/48/82/51/250488251.db2.gz DEQUAIDATHGZMU-GFCCVEGCSA-N 0 0 334.372 2.890 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(F)(c3ccccc3)CC2)n1 ZINC000447611745 250585185 /nfs/dbraw/zinc/58/51/85/250585185.db2.gz MOYXBMXCPVVCBB-UHFFFAOYSA-N 0 0 346.362 2.912 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[C@H]1CCOC1 ZINC000447813357 250615429 /nfs/dbraw/zinc/61/54/29/250615429.db2.gz VQZSRWORPNKCOZ-VIFPVBQESA-N 0 0 328.752 2.873 10 5 EFBERN Cc1nn(C)c(NC[C@H](CO)Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000095403347 218338691 /nfs/dbraw/zinc/33/86/91/218338691.db2.gz AMSGSMOAVORBKY-LLVKDONJSA-N 0 0 338.795 2.553 10 5 EFBERN COc1cc(N2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1F ZINC000095412121 218349145 /nfs/dbraw/zinc/34/91/45/218349145.db2.gz JXYCODYSXVWNKP-LLVKDONJSA-N 0 0 334.351 2.545 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000095416322 218354856 /nfs/dbraw/zinc/35/48/56/218354856.db2.gz HQUFHDXQCDCYEO-GFCCVEGCSA-N 0 0 329.139 2.797 10 5 EFBERN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000095433801 218376470 /nfs/dbraw/zinc/37/64/70/218376470.db2.gz YAJKOOVVWKWPOP-LLVKDONJSA-N 0 0 340.426 2.879 10 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CO[C@@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)C ZINC000449981009 251219609 /nfs/dbraw/zinc/21/96/09/251219609.db2.gz WMIQPLNSTLVBTG-ZDUSSCGKSA-N 0 0 346.387 2.666 10 5 EFBERN COC(=O)c1cc(NC(=O)CCCc2ncc(C)o2)cc([N+](=O)[O-])c1 ZINC000449935397 251204498 /nfs/dbraw/zinc/20/44/98/251204498.db2.gz QTFRUIYSDAMUSP-UHFFFAOYSA-N 0 0 347.327 2.639 10 5 EFBERN CCOc1ccc(NC(=O)CSC(=S)N(C)C)c([N+](=O)[O-])c1 ZINC000006052158 210583018 /nfs/dbraw/zinc/58/30/18/210583018.db2.gz FBZIRRMNJXOHIE-UHFFFAOYSA-N 0 0 343.430 2.512 10 5 EFBERN Cc1ccc(CN(C)C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005966867 210568236 /nfs/dbraw/zinc/56/82/36/210568236.db2.gz FPSSKENJBGIIAL-UHFFFAOYSA-N 0 0 342.351 2.719 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCC3)nc2)cc1[N+](=O)[O-] ZINC000450111742 251263394 /nfs/dbraw/zinc/26/33/94/251263394.db2.gz HHFZFYHMRZXTOV-ZDUSSCGKSA-N 0 0 340.383 2.999 10 5 EFBERN Cc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn2c1OCCC2 ZINC000450055296 251245580 /nfs/dbraw/zinc/24/55/80/251245580.db2.gz CJZTWDYAVCOKHV-GFCCVEGCSA-N 0 0 344.371 2.682 10 5 EFBERN O=C(c1ccnc(OC(F)F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450091992 251257199 /nfs/dbraw/zinc/25/71/99/251257199.db2.gz YRJHUSFRQSIXMN-UHFFFAOYSA-N 0 0 349.293 2.790 10 5 EFBERN O=[N+]([O-])c1cccc(N2CCN(Cc3nnc(C4CC4)s3)CC2)c1 ZINC000450261034 251320776 /nfs/dbraw/zinc/32/07/76/251320776.db2.gz LXNGOMZZRKCGHN-UHFFFAOYSA-N 0 0 345.428 2.646 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450355420 251356766 /nfs/dbraw/zinc/35/67/66/251356766.db2.gz QYZWPUINAXGRKZ-NSHDSACASA-N 0 0 339.399 2.958 10 5 EFBERN CC[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(C)nn(C)c1C ZINC000450364280 251362617 /nfs/dbraw/zinc/36/26/17/251362617.db2.gz XTFDHPSLHLLCFI-LBPRGKRZSA-N 0 0 328.376 2.807 10 5 EFBERN COc1cccc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000450663078 251413923 /nfs/dbraw/zinc/41/39/23/251413923.db2.gz XVZWIBXXUAPCQZ-RDTXWAMCSA-N 0 0 346.358 2.908 10 5 EFBERN NC(=O)C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000450406107 251376493 /nfs/dbraw/zinc/37/64/93/251376493.db2.gz RAWOJCPYAHFHSP-CYBMUJFWSA-N 0 0 331.376 2.707 10 5 EFBERN CCN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])c(C)n3)ccc21 ZINC000450435194 251386578 /nfs/dbraw/zinc/38/65/78/251386578.db2.gz CZPWMWPFIPZZBE-UHFFFAOYSA-N 0 0 327.344 2.736 10 5 EFBERN CC(C)(C)Oc1cc(N2CC[C@](O)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000450697586 251420457 /nfs/dbraw/zinc/42/04/57/251420457.db2.gz AGJMUNODKCTVMK-OAHLLOKOSA-N 0 0 330.331 2.978 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H]2CC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000268230512 251744986 /nfs/dbraw/zinc/74/49/86/251744986.db2.gz ARNFJVISXAMATG-AWSNNDDLSA-N 0 0 334.372 2.744 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N=c1cc(C2C(C)(C)C2(C)C)[nH][nH]1 ZINC000452166039 251813243 /nfs/dbraw/zinc/81/32/43/251813243.db2.gz RYTRNRGAPJYPIR-UHFFFAOYSA-N 0 0 343.387 2.845 10 5 EFBERN COc1cccc(C(=O)N2CCC3(CCC(O)CC3)CC2)c1[N+](=O)[O-] ZINC000452258071 251834718 /nfs/dbraw/zinc/83/47/18/251834718.db2.gz KHMYRKJEDLCPPB-UHFFFAOYSA-N 0 0 348.399 2.761 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452505383 251898311 /nfs/dbraw/zinc/89/83/11/251898311.db2.gz SGBRSQNAQRUTSM-YJBOKZPZSA-N 0 0 344.342 2.535 10 5 EFBERN Cc1cc(C(=O)NCC(=O)NCC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000452788310 251968091 /nfs/dbraw/zinc/96/80/91/251968091.db2.gz BDVNNEMHYPVQFV-UHFFFAOYSA-N 0 0 347.415 2.720 10 5 EFBERN O=C(NCC1(CF)CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452795427 251970685 /nfs/dbraw/zinc/97/06/85/251970685.db2.gz OTWKLMIBVLBIMC-UHFFFAOYSA-N 0 0 335.335 2.572 10 5 EFBERN C[C@@H]1COCC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833875 251981780 /nfs/dbraw/zinc/98/17/80/251981780.db2.gz BITJRGMUSYJYLE-UKPHBRMFSA-N 0 0 332.400 2.973 10 5 EFBERN COc1ccc(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452900976 251999431 /nfs/dbraw/zinc/99/94/31/251999431.db2.gz TXXJIDAQFDOZKN-MLGOLLRUSA-N 0 0 336.388 2.784 10 5 EFBERN Cc1cc(-c2noc(-c3cn(CC4CC4)nn3)n2)cc([N+](=O)[O-])c1 ZINC000453271872 252025175 /nfs/dbraw/zinc/02/51/75/252025175.db2.gz UNABPEUREHZTPR-UHFFFAOYSA-N 0 0 326.316 2.622 10 5 EFBERN CC1(c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)CC1 ZINC000453309794 252032883 /nfs/dbraw/zinc/03/28/83/252032883.db2.gz XVBQCDLOKYATHG-UHFFFAOYSA-N 0 0 330.344 2.533 10 5 EFBERN CCC1(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000453814700 252078213 /nfs/dbraw/zinc/07/82/13/252078213.db2.gz DEHLWKJPTPGVLN-UHFFFAOYSA-N 0 0 333.388 2.890 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C(C)(C)C)C1 ZINC000454122409 252146722 /nfs/dbraw/zinc/14/67/22/252146722.db2.gz LBQUTZWUOSWBEE-UHFFFAOYSA-N 0 0 333.388 2.600 10 5 EFBERN CC[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454194203 252168309 /nfs/dbraw/zinc/16/83/09/252168309.db2.gz FHBOTQCEUZAVMO-TVQRCGJNSA-N 0 0 327.768 2.873 10 5 EFBERN Cc1c(NC(=O)C(=O)NCC2(C3CCC3)CCC2)cccc1[N+](=O)[O-] ZINC000454085124 252136739 /nfs/dbraw/zinc/13/67/39/252136739.db2.gz JFGLHGLTOBDUBR-UHFFFAOYSA-N 0 0 345.399 2.928 10 5 EFBERN Cc1c(NC(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000454205900 252172414 /nfs/dbraw/zinc/17/24/14/252172414.db2.gz UKDGKXPIAJYJOU-BXKDBHETSA-N 0 0 347.293 2.680 10 5 EFBERN Cc1nc([C@@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000454244411 252186239 /nfs/dbraw/zinc/18/62/39/252186239.db2.gz NJZFWFDTZVIIIU-HNNXBMFYSA-N 0 0 331.332 2.733 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000454294443 252204274 /nfs/dbraw/zinc/20/42/74/252204274.db2.gz XEAJXNMXERSCGM-ZBFHGGJFSA-N 0 0 335.404 2.845 10 5 EFBERN COc1ccc(CNC(=O)NCCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000454297985 252205216 /nfs/dbraw/zinc/20/52/16/252205216.db2.gz HUINYPLJCBXSCJ-UHFFFAOYSA-N 0 0 343.330 2.838 10 5 EFBERN CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268787469 252237602 /nfs/dbraw/zinc/23/76/02/252237602.db2.gz WDVDWXAVTZHEDT-GFCCVEGCSA-N 0 0 347.415 2.585 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000454354534 252230380 /nfs/dbraw/zinc/23/03/80/252230380.db2.gz DQWZOISFGOTAHT-WBVHZDCISA-N 0 0 349.431 2.888 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000454354532 252231068 /nfs/dbraw/zinc/23/10/68/252231068.db2.gz DQWZOISFGOTAHT-RDJZCZTQSA-N 0 0 349.431 2.888 10 5 EFBERN O=C(N[C@@H]1CCCOC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454529862 252296576 /nfs/dbraw/zinc/29/65/76/252296576.db2.gz RICCJSJSMDQWAJ-HUUCEWRRSA-N 0 0 333.388 2.663 10 5 EFBERN O=C(N[C@H]1CCCOC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454529860 252297219 /nfs/dbraw/zinc/29/72/19/252297219.db2.gz RICCJSJSMDQWAJ-CABCVRRESA-N 0 0 333.388 2.663 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000454567138 252310851 /nfs/dbraw/zinc/31/08/51/252310851.db2.gz ATYGUVIXANDQPR-PBHICJAKSA-N 0 0 349.431 2.888 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000454540022 252301293 /nfs/dbraw/zinc/30/12/93/252301293.db2.gz AVAXEPZRTVPOBO-OAHLLOKOSA-N 0 0 335.404 2.642 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000268870867 252319730 /nfs/dbraw/zinc/31/97/30/252319730.db2.gz HPLNXGAWXKHLTD-SCLBCKFNSA-N 0 0 343.383 2.843 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2OCC[C@H]2C1 ZINC000369683686 285083284 /nfs/dbraw/zinc/08/32/84/285083284.db2.gz NZYDRMXTNMUXCP-TVQRCGJNSA-N 0 0 327.178 2.973 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c(N2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000125720018 285087542 /nfs/dbraw/zinc/08/75/42/285087542.db2.gz PJHWAPDIMYIGCC-SNVBAGLBSA-N 0 0 346.214 2.813 10 5 EFBERN CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CS(=O)(=O)CC ZINC000183348449 285103895 /nfs/dbraw/zinc/10/38/95/285103895.db2.gz CKOZYHHTKUKJLY-ZDUSSCGKSA-N 0 0 328.434 2.548 10 5 EFBERN C[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000097115370 218963203 /nfs/dbraw/zinc/96/32/03/218963203.db2.gz RRDCJAJJXGXDHJ-SECBINFHSA-N 0 0 341.414 2.519 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC3(C2)CCCOC3)c(Br)c1 ZINC000377160044 285120359 /nfs/dbraw/zinc/12/03/59/285120359.db2.gz XMIMUYZTUXZPIN-UHFFFAOYSA-N 0 0 327.178 2.974 10 5 EFBERN CCC(CC)C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C ZINC000004966577 210341710 /nfs/dbraw/zinc/34/17/10/210341710.db2.gz NQQNKJLPOHSWEK-UHFFFAOYSA-N 0 0 338.360 2.830 10 5 EFBERN Cc1onc(C(=O)N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000004937446 210329546 /nfs/dbraw/zinc/32/95/46/210329546.db2.gz QEFRMTLVFLVOLR-UHFFFAOYSA-N 0 0 329.356 2.986 10 5 EFBERN COc1ccc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1OC ZINC000004891563 210313440 /nfs/dbraw/zinc/31/34/40/210313440.db2.gz GPRYVMAXCDWPSF-UHFFFAOYSA-N 0 0 332.312 2.577 10 5 EFBERN CCOc1cccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000097454403 219025682 /nfs/dbraw/zinc/02/56/82/219025682.db2.gz XCVNMWMBIJBVMR-UHFFFAOYSA-N 0 0 343.339 2.937 10 5 EFBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000095939967 285141728 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CCOc1ccc(C(=O)N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000456407189 255640793 /nfs/dbraw/zinc/64/07/93/255640793.db2.gz QSHSWRBXQBTACG-VHDGCEQUSA-N 0 0 348.399 2.617 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC1(F)F ZINC000456135638 255625997 /nfs/dbraw/zinc/62/59/97/255625997.db2.gz HTEPYZNBXVZJOB-QMMMGPOBSA-N 0 0 334.269 2.967 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CC(F)F)C[C@@H](C)O ZINC000456576577 255648937 /nfs/dbraw/zinc/64/89/37/255648937.db2.gz IPDXNISSVYAPBC-MRVPVSSYSA-N 0 0 336.722 2.645 10 5 EFBERN CN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc21 ZINC000456602513 255650084 /nfs/dbraw/zinc/65/00/84/255650084.db2.gz HPLLSXHDYVKRKE-CQSZACIVSA-N 0 0 340.383 2.878 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C)c3ccccc32)n1 ZINC000456611269 255650930 /nfs/dbraw/zinc/65/09/30/255650930.db2.gz QPLJLBJMSAFXIO-CYBMUJFWSA-N 0 0 343.387 2.512 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@]2(CCOC2)C1 ZINC000456731774 255658016 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334.380 2.855 10 5 EFBERN CCOc1ccccc1OCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347778435 142270858 /nfs/dbraw/zinc/27/08/58/142270858.db2.gz DARXIUKGQKIBSK-UHFFFAOYSA-N 0 0 343.383 2.826 10 5 EFBERN CCCCN(CCCC)C(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347788807 142272309 /nfs/dbraw/zinc/27/23/09/142272309.db2.gz JGRGGRSFEFAMBE-UHFFFAOYSA-N 0 0 348.447 2.777 10 5 EFBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)c1ccc(F)cc1 ZINC000347803723 142274281 /nfs/dbraw/zinc/27/42/81/142274281.db2.gz FXRDUGHBXJETLO-UHFFFAOYSA-N 0 0 339.282 2.525 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000347855760 142282794 /nfs/dbraw/zinc/28/27/94/142282794.db2.gz UALWEOHBFFSUEV-VXNVDRBHSA-N 0 0 346.261 2.736 10 5 EFBERN Cc1[nH]c2ccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)cc2c1C ZINC000347866888 142284194 /nfs/dbraw/zinc/28/41/94/142284194.db2.gz LLPXEQRGDBQUEB-UHFFFAOYSA-N 0 0 336.355 2.770 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000347872858 142285113 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EFBERN Cc1nn(C)c(-c2nc(-c3cccnc3OC(C)C)no2)c1[N+](=O)[O-] ZINC000349772898 142357272 /nfs/dbraw/zinc/35/72/72/142357272.db2.gz UXPAEIULDHUSOG-UHFFFAOYSA-N 0 0 344.331 2.536 10 5 EFBERN C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000349892685 142374884 /nfs/dbraw/zinc/37/48/84/142374884.db2.gz LVWCPOFZVXHFKW-ZDUSSCGKSA-N 0 0 335.404 2.542 10 5 EFBERN C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000349900078 142375709 /nfs/dbraw/zinc/37/57/09/142375709.db2.gz ZWEKEHUZLIBMCO-KBPBESRZSA-N 0 0 349.431 2.788 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(C)CCCCC1 ZINC000349933188 142380256 /nfs/dbraw/zinc/38/02/56/142380256.db2.gz PVIFOHWFKCAKCH-UHFFFAOYSA-N 0 0 342.417 2.852 10 5 EFBERN COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])n2C)c(Cl)c1 ZINC000349945701 142381594 /nfs/dbraw/zinc/38/15/94/142381594.db2.gz OFNMEUJDXHVZAD-UHFFFAOYSA-N 0 0 337.763 2.568 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](CO)c1cccnc1 ZINC000349948526 142381954 /nfs/dbraw/zinc/38/19/54/142381954.db2.gz GIFYXGCBCYKVMN-AWEZNQCLSA-N 0 0 344.371 2.504 10 5 EFBERN CCn1c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)nc2cccnc21 ZINC000349949873 142382079 /nfs/dbraw/zinc/38/20/79/142382079.db2.gz INNVOUWNKPBHKP-UHFFFAOYSA-N 0 0 331.357 2.982 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CC(=O)N(Cc2ccccc2)C1 ZINC000349967336 142384234 /nfs/dbraw/zinc/38/42/34/142384234.db2.gz GXHRVILYZULNSR-UHFFFAOYSA-N 0 0 325.368 2.705 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(Cc2cscn2)CC1 ZINC000350012681 142390457 /nfs/dbraw/zinc/39/04/57/142390457.db2.gz ONHJKVIGWYLBQF-UHFFFAOYSA-N 0 0 332.429 2.678 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000352210211 142446935 /nfs/dbraw/zinc/44/69/35/142446935.db2.gz ICKHQDSYZOYDCS-IMTBSYHQSA-N 0 0 335.257 2.729 10 5 EFBERN Cc1nn(C)c(C)c1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352355157 142471268 /nfs/dbraw/zinc/47/12/68/142471268.db2.gz GPVRSCDXSPVSBG-UHFFFAOYSA-N 0 0 325.372 2.570 10 5 EFBERN Cn1c(CNc2nc3ccccc3cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000352354850 142471341 /nfs/dbraw/zinc/47/13/41/142471341.db2.gz FBFORUKYFXPKSO-UHFFFAOYSA-N 0 0 338.371 2.573 10 5 EFBERN NC(=O)[C@@H]1CCCCC[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362200 142472274 /nfs/dbraw/zinc/47/22/74/142472274.db2.gz UYJKOXJVCWHCJG-OCCSQVGLSA-N 0 0 328.372 2.989 10 5 EFBERN COc1cc(CN2CCN(c3cc(C)ccn3)CC2)ccc1[N+](=O)[O-] ZINC000352533946 142505970 /nfs/dbraw/zinc/50/59/70/142505970.db2.gz BMEBKGOVLDXHBL-UHFFFAOYSA-N 0 0 342.399 2.629 10 5 EFBERN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(c2ccccc2)C1=O ZINC000352722048 142539685 /nfs/dbraw/zinc/53/96/85/142539685.db2.gz NMZBVFPSMFLGFJ-KRWDZBQOSA-N 0 0 343.358 2.971 10 5 EFBERN Cc1ccc(CC[C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000354617241 146754926 /nfs/dbraw/zinc/75/49/26/146754926.db2.gz SXRATEJICCRUOG-NSHDSACASA-N 0 0 338.385 2.796 10 5 EFBERN CO[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000337718721 143792983 /nfs/dbraw/zinc/79/29/83/143792983.db2.gz IPMYMLWOLIDHPO-ONGXEEELSA-N 0 0 344.314 2.836 10 5 EFBERN Cc1c(CNC(=O)N[C@@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000338073379 143882749 /nfs/dbraw/zinc/88/27/49/143882749.db2.gz HNFHICVNVZTQSN-CQSZACIVSA-N 0 0 343.387 2.514 10 5 EFBERN O=C(Cc1ccc(Cl)s1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000338174956 144620622 /nfs/dbraw/zinc/62/06/22/144620622.db2.gz CPOVJGVKTBWOSJ-UHFFFAOYSA-N 0 0 337.788 2.832 10 5 EFBERN O=C(N[C@H](CO)CC1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000338246404 144633306 /nfs/dbraw/zinc/63/33/06/144633306.db2.gz VSJAMPRCPXAJLL-ZDUSSCGKSA-N 0 0 331.372 2.747 10 5 EFBERN CC[C@H](C)NC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000340606070 144901057 /nfs/dbraw/zinc/90/10/57/144901057.db2.gz AMAYVLPMGZIQOP-QMMMGPOBSA-N 0 0 330.182 2.684 10 5 EFBERN CCN(CC)C(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000340608113 144901890 /nfs/dbraw/zinc/90/18/90/144901890.db2.gz YOAQVVDJFFLKLZ-UHFFFAOYSA-N 0 0 330.182 2.638 10 5 EFBERN C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000341253723 145021140 /nfs/dbraw/zinc/02/11/40/145021140.db2.gz AOFOAQNHCZQYJR-NSHDSACASA-N 0 0 347.396 2.654 10 5 EFBERN C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000341257542 145021759 /nfs/dbraw/zinc/02/17/59/145021759.db2.gz JFDFNBBFQJKXHY-SNVBAGLBSA-N 0 0 338.323 2.735 10 5 EFBERN C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1ccccc1[N+](=O)[O-] ZINC000341258620 145022031 /nfs/dbraw/zinc/02/20/31/145022031.db2.gz KNPYCEXQPOIHNV-SNVBAGLBSA-N 0 0 340.339 2.678 10 5 EFBERN CCOC(=O)CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000341268142 145023501 /nfs/dbraw/zinc/02/35/01/145023501.db2.gz DPSSLZWDCUCYOY-UHFFFAOYSA-N 0 0 346.339 2.899 10 5 EFBERN C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000341268874 145023565 /nfs/dbraw/zinc/02/35/65/145023565.db2.gz VYVYWBMAFJDNDC-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN CCNc1ccc(C(=O)N(CC(=O)OCC)C2CCC2)cc1[N+](=O)[O-] ZINC000341269465 145023777 /nfs/dbraw/zinc/02/37/77/145023777.db2.gz ABSGNIXPSSWPJV-UHFFFAOYSA-N 0 0 349.387 2.584 10 5 EFBERN C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000341268873 145023963 /nfs/dbraw/zinc/02/39/63/145023963.db2.gz VYVYWBMAFJDNDC-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cncnc3)cc2[N+](=O)[O-])C1 ZINC000341275064 145024321 /nfs/dbraw/zinc/02/43/21/145024321.db2.gz FLZHAQIEJREELQ-GFCCVEGCSA-N 0 0 341.371 2.873 10 5 EFBERN COC(=O)c1cc(C)nc(Oc2ccc(NC(C)=O)cc2)c1[N+](=O)[O-] ZINC000341273847 145024595 /nfs/dbraw/zinc/02/45/95/145024595.db2.gz OIAHPPUTOUFVIS-UHFFFAOYSA-N 0 0 345.311 2.836 10 5 EFBERN CSc1ccc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000341282487 145025825 /nfs/dbraw/zinc/02/58/25/145025825.db2.gz WSEPLMJYQCJBLD-JTQLQIEISA-N 0 0 329.385 2.954 10 5 EFBERN COC(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341287432 145026891 /nfs/dbraw/zinc/02/68/91/145026891.db2.gz MIRWGYONDCSNRJ-NSHDSACASA-N 0 0 328.324 2.872 10 5 EFBERN C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000341305044 145029581 /nfs/dbraw/zinc/02/95/81/145029581.db2.gz PTFKNQBZZLAJAH-SNVBAGLBSA-N 0 0 328.328 2.576 10 5 EFBERN C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1[N+](=O)[O-] ZINC000341329761 145034412 /nfs/dbraw/zinc/03/44/12/145034412.db2.gz TUGOSDMTEKUQND-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN COc1c(C(=O)N2CCOC[C@@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000341337413 145035476 /nfs/dbraw/zinc/03/54/76/145035476.db2.gz KQGWNBOGXMWINL-ZDUSSCGKSA-N 0 0 334.372 2.635 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)n1 ZINC000341362699 145039897 /nfs/dbraw/zinc/03/98/97/145039897.db2.gz DDMBIEZSLFGMHL-UKRRQHHQSA-N 0 0 340.383 2.900 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCOC[C@H]1CC1CCC1 ZINC000341374605 145041934 /nfs/dbraw/zinc/04/19/34/145041934.db2.gz XKPWUABAOYKMBU-OAHLLOKOSA-N 0 0 348.399 2.781 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000341389633 145044219 /nfs/dbraw/zinc/04/42/19/145044219.db2.gz PNYJUOKDRAJKCJ-XJKSGUPXSA-N 0 0 340.383 2.900 10 5 EFBERN Cc1nc(NC(=O)[C@@H](C)Cn2ncc3ccccc32)ccc1[N+](=O)[O-] ZINC000341392256 145044524 /nfs/dbraw/zinc/04/45/24/145044524.db2.gz ZLMCPTQFJAZXGE-NSHDSACASA-N 0 0 339.355 2.923 10 5 EFBERN COc1ccc2c(c1)c(=O)ncn2CCc1ccc([N+](=O)[O-])cc1 ZINC000341395601 145045330 /nfs/dbraw/zinc/04/53/30/145045330.db2.gz PPFKIIDQEKDSTJ-UHFFFAOYSA-N 0 0 325.324 2.556 10 5 EFBERN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c[nH]1 ZINC000342175461 145075488 /nfs/dbraw/zinc/07/54/88/145075488.db2.gz QXHQIMYEQBUMHK-JTQLQIEISA-N 0 0 331.328 2.509 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)COc1cccc(F)c1 ZINC000342273837 145091758 /nfs/dbraw/zinc/09/17/58/145091758.db2.gz YABDNWIXSWGCRD-SNVBAGLBSA-N 0 0 333.319 2.635 10 5 EFBERN C[C@@H](NCc1cc(=O)n2ccsc2n1)c1ccccc1[N+](=O)[O-] ZINC000342289190 145094155 /nfs/dbraw/zinc/09/41/55/145094155.db2.gz BLNSBZMQASCLJH-SNVBAGLBSA-N 0 0 330.369 2.515 10 5 EFBERN Cc1cccn2c(=O)cc(CN[C@@H](C)c3ccccc3[N+](=O)[O-])nc12 ZINC000342290316 145094466 /nfs/dbraw/zinc/09/44/66/145094466.db2.gz BOPDXMIVNDZUMC-ZDUSSCGKSA-N 0 0 338.367 2.762 10 5 EFBERN COC(C)(C)C[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342379397 145112752 /nfs/dbraw/zinc/11/27/52/145112752.db2.gz KYDKLTSGUCFGDV-SECBINFHSA-N 0 0 330.331 2.735 10 5 EFBERN COC(=O)CC1(CC(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000342457110 145130415 /nfs/dbraw/zinc/13/04/15/145130415.db2.gz ULHXLKKVMIQUNY-UHFFFAOYSA-N 0 0 348.399 2.767 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCOC2(CCCC2)C1 ZINC000342593846 145155457 /nfs/dbraw/zinc/15/54/57/145155457.db2.gz QRCZGOZTOCIYOO-UHFFFAOYSA-N 0 0 340.326 2.587 10 5 EFBERN Cc1cc(=NC(=O)COc2ccccc2[N+](=O)[O-])[nH]n1[C@H](C)C1CC1 ZINC000342634442 145162980 /nfs/dbraw/zinc/16/29/80/145162980.db2.gz PCRCJOFEQFZRCY-GFCCVEGCSA-N 0 0 344.371 2.510 10 5 EFBERN Cc1cc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH]n1[C@@H](C)C1CC1 ZINC000342637594 145163423 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146372018 /nfs/dbraw/zinc/37/20/18/146372018.db2.gz JVDFAQJCDGRFQR-UHFFFAOYSA-N 0 0 343.368 2.660 10 5 EFBERN Cc1cccc(NC(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)c1C ZINC000353035131 146382102 /nfs/dbraw/zinc/38/21/02/146382102.db2.gz SUHNOUVWTPNPGM-UHFFFAOYSA-N 0 0 340.383 2.603 10 5 EFBERN COC(=O)[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cccc(O)c1 ZINC000353478251 146489968 /nfs/dbraw/zinc/48/99/68/146489968.db2.gz FDIHEZOJDMXOPH-MRXNPFEDSA-N 0 0 330.340 2.613 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2cccc(C3CC3)n2)cc([N+](=O)[O-])c1 ZINC000353694529 146540091 /nfs/dbraw/zinc/54/00/91/146540091.db2.gz YYYLLAPVJWUFAO-UHFFFAOYSA-N 0 0 341.323 2.906 10 5 EFBERN CC(C)OC(=O)C[C@@H](NC(=O)C1=CCC1)c1ccccc1[N+](=O)[O-] ZINC000355332867 146924368 /nfs/dbraw/zinc/92/43/68/146924368.db2.gz BQKVSJYSBAYAJK-CQSZACIVSA-N 0 0 332.356 2.814 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000355618390 147013784 /nfs/dbraw/zinc/01/37/84/147013784.db2.gz LTZZOPBBBOGKDG-IAGOWNOFSA-N 0 0 346.408 2.613 10 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TUKYEYLWSCANGK-UHFFFAOYSA-N 0 0 335.747 2.624 10 5 EFBERN CC[C@@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000355728254 147046378 /nfs/dbraw/zinc/04/63/78/147046378.db2.gz FAMWACZEOXCJEM-PBHICJAKSA-N 0 0 333.388 2.611 10 5 EFBERN CC(C)(C)c1ccc(Cc2noc(Cn3cnc([N+](=O)[O-])n3)n2)cc1 ZINC000355823315 147075440 /nfs/dbraw/zinc/07/54/40/147075440.db2.gz KTSFROVFRNZAIR-UHFFFAOYSA-N 0 0 342.359 2.506 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000355874166 147088180 /nfs/dbraw/zinc/08/81/80/147088180.db2.gz SHZMFEHAWACDKX-CQSZACIVSA-N 0 0 341.367 2.839 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC000355949157 147106537 /nfs/dbraw/zinc/10/65/37/147106537.db2.gz YHFGABQLCSTCLA-UHFFFAOYSA-N 0 0 340.295 2.786 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H](c2ccco2)c2ccccc2)c1[N+](=O)[O-] ZINC000355962645 147109173 /nfs/dbraw/zinc/10/91/73/147109173.db2.gz NUGPJJRDWXSUSR-ZDUSSCGKSA-N 0 0 326.312 2.739 10 5 EFBERN CC(C)Oc1ccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000356018269 147124861 /nfs/dbraw/zinc/12/48/61/147124861.db2.gz ZOMQILXYBUOBKS-UHFFFAOYSA-N 0 0 329.316 2.833 10 5 EFBERN Cc1sc(C(=O)NCCCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000356066469 147137542 /nfs/dbraw/zinc/13/75/42/147137542.db2.gz QQOGBTCAUJXAPD-UHFFFAOYSA-N 0 0 347.396 2.515 10 5 EFBERN C[C@H]1CSC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000356075051 147141116 /nfs/dbraw/zinc/14/11/16/147141116.db2.gz ZENMRQFSLPWXRV-IONNQARKSA-N 0 0 332.328 2.678 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1cc(F)c(F)c(F)c1 ZINC000356080097 147141312 /nfs/dbraw/zinc/14/13/12/147141312.db2.gz QTRYIBKTGUNIGZ-UHFFFAOYSA-N 0 0 338.285 2.914 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccsc1 ZINC000356233339 147183975 /nfs/dbraw/zinc/18/39/75/147183975.db2.gz PTXZHQYTWOLOMS-CYBMUJFWSA-N 0 0 338.410 2.598 10 5 EFBERN COC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)c1ccc(F)cc1 ZINC000356242532 147186497 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Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2OC(F)F)n1 ZINC000357828329 147633021 /nfs/dbraw/zinc/63/30/21/147633021.db2.gz PGJAFOPTDYIZHI-UHFFFAOYSA-N 0 0 346.677 2.835 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000357943027 147665750 /nfs/dbraw/zinc/66/57/50/147665750.db2.gz BAMYNCWENBDTDM-UHFFFAOYSA-N 0 0 345.330 2.753 10 5 EFBERN CCOc1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000357948669 147667600 /nfs/dbraw/zinc/66/76/00/147667600.db2.gz SHLOWLJGIXWIFH-UHFFFAOYSA-N 0 0 333.319 2.844 10 5 EFBERN CSc1c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000358841278 147915359 /nfs/dbraw/zinc/91/53/59/147915359.db2.gz LPHYJJJUVZKCKL-UHFFFAOYSA-N 0 0 334.401 2.715 10 5 EFBERN CC(C)[C@](C)(CO)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000358926298 147940425 /nfs/dbraw/zinc/94/04/25/147940425.db2.gz NHIIFMRUORLSBK-KRWDZBQOSA-N 0 0 337.420 2.624 10 5 EFBERN CN(C[C@H]1CCCOC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358992054 147959623 /nfs/dbraw/zinc/95/96/23/147959623.db2.gz 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C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1noc(-c2ccccc2)n1 ZINC000370581247 150625141 /nfs/dbraw/zinc/62/51/41/150625141.db2.gz BSTOYHLJOJFPFW-JTQLQIEISA-N 0 0 339.311 2.531 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC(F)(F)C[C@H]1CO ZINC000372504546 151018134 /nfs/dbraw/zinc/01/81/34/151018134.db2.gz LCQLZMIVMKZWDQ-JTQLQIEISA-N 0 0 342.323 2.652 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]1C1CC1 ZINC000372520029 151020678 /nfs/dbraw/zinc/02/06/78/151020678.db2.gz DHYXINSAIRITGO-AWEZNQCLSA-N 0 0 331.372 2.551 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(O)Cc2ccccc2C1 ZINC000372901899 151078687 /nfs/dbraw/zinc/07/86/87/151078687.db2.gz GMPRXEZQFXUAJG-UHFFFAOYSA-N 0 0 341.367 2.555 10 5 EFBERN COc1cc(OCC(=O)N2CC3(CCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000372909216 151079373 /nfs/dbraw/zinc/07/93/73/151079373.db2.gz FGUYNUVNSAIQCO-GFCCVEGCSA-N 0 0 334.372 2.773 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cnn(C(C)C)c21 ZINC000372942728 151084302 /nfs/dbraw/zinc/08/43/02/151084302.db2.gz DFEHSFRPASGPEH-HNNXBMFYSA-N 0 0 343.387 2.883 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000372965065 151088562 /nfs/dbraw/zinc/08/85/62/151088562.db2.gz JJUSXVPDKYBKDR-GFCCVEGCSA-N 0 0 331.372 2.633 10 5 EFBERN CCc1ccc(C(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373630443 151201600 /nfs/dbraw/zinc/20/16/00/151201600.db2.gz SLBDRZZAZDUAEY-YJBOKZPZSA-N 0 0 348.399 2.567 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCn2c(C(C)C)nnc2[C@H]1C ZINC000373973045 151260653 /nfs/dbraw/zinc/26/06/53/151260653.db2.gz APJWEKHUGNZCNB-GFCCVEGCSA-N 0 0 345.403 2.895 10 5 EFBERN Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000374016644 151268153 /nfs/dbraw/zinc/26/81/53/151268153.db2.gz FIQNNZBQTYVFRH-DEYYWGMASA-N 0 0 348.399 2.702 10 5 EFBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC1=O ZINC000374167933 151294546 /nfs/dbraw/zinc/29/45/46/151294546.db2.gz ONCUFKUHLOBBQU-JRPNMDOOSA-N 0 0 326.356 2.564 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000408302905 286249974 /nfs/dbraw/zinc/24/99/74/286249974.db2.gz KJFLHUVDPZGGTK-IJLUTSLNSA-N 0 0 342.417 2.659 10 5 EFBERN Cc1ccc([C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374597131 151377580 /nfs/dbraw/zinc/37/75/80/151377580.db2.gz RWUJZZFKUGCQEI-OAHLLOKOSA-N 0 0 328.372 2.506 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000374623602 151383884 /nfs/dbraw/zinc/38/38/84/151383884.db2.gz OEDUBFXVTOFKLV-CQSZACIVSA-N 0 0 348.399 2.561 10 5 EFBERN COc1cc(C(=O)N2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000374696202 151397279 /nfs/dbraw/zinc/39/72/79/151397279.db2.gz JEMLPGBBHPINPV-CQSZACIVSA-N 0 0 341.367 2.703 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000374716901 151401206 /nfs/dbraw/zinc/40/12/06/151401206.db2.gz QCQPVWAXOVWHMK-CQSZACIVSA-N 0 0 341.367 2.703 10 5 EFBERN Cc1ccc(NC(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000375084627 151469807 /nfs/dbraw/zinc/46/98/07/151469807.db2.gz NFZPIDJPLCBQGB-UHFFFAOYSA-N 0 0 345.330 2.778 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCO[C@H](C3CC3)C2)ccc1Br ZINC000375332722 151514057 /nfs/dbraw/zinc/51/40/57/151514057.db2.gz NEWWRRYCKQHPHJ-AWEZNQCLSA-N 0 0 341.205 2.968 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000375893295 151616551 /nfs/dbraw/zinc/61/65/51/151616551.db2.gz YHWMVNFJKNKIFS-MAZHCROVSA-N 0 0 348.399 2.927 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000376292318 151691379 /nfs/dbraw/zinc/69/13/79/151691379.db2.gz BXIIWANRLKNINN-UHFFFAOYSA-N 0 0 330.315 2.732 10 5 EFBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@H](C2CC2)C1 ZINC000376341662 151698045 /nfs/dbraw/zinc/69/80/45/151698045.db2.gz QAQBLDMSCQFFMY-ZDUSSCGKSA-N 0 0 325.752 2.891 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000376422004 151711571 /nfs/dbraw/zinc/71/15/71/151711571.db2.gz AWPXXZOMSAKYDG-FHSNZYRGSA-N 0 0 348.399 2.960 10 5 EFBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC2(C1)CCCOC2 ZINC000377506672 151886645 /nfs/dbraw/zinc/88/66/45/151886645.db2.gz VNAAHEMRRJUJRY-UHFFFAOYSA-N 0 0 325.752 2.893 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000378386644 152072624 /nfs/dbraw/zinc/07/26/24/152072624.db2.gz IFWCMUCNCYGGIR-INIZCTEOSA-N 0 0 330.388 2.519 10 5 EFBERN Nc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000378394233 152074891 /nfs/dbraw/zinc/07/48/91/152074891.db2.gz JSIRPWCGKDDHEP-YOEHRIQHSA-N 0 0 341.367 2.685 10 5 EFBERN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cccc(-n2cccn2)c1 ZINC000378527619 152109625 /nfs/dbraw/zinc/10/96/25/152109625.db2.gz WILBZDMRCNYXRM-UHFFFAOYSA-N 0 0 348.318 2.577 10 5 EFBERN Cc1nc2c(s1)[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])CCC2 ZINC000378589739 152121469 /nfs/dbraw/zinc/12/14/69/152121469.db2.gz MYAMYBUKDLFKTL-CYBMUJFWSA-N 0 0 346.412 2.965 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2COCC[C@H]21 ZINC000408001957 152143725 /nfs/dbraw/zinc/14/37/25/152143725.db2.gz RQLLDWNZNQNKLM-MEDUHNTESA-N 0 0 329.356 2.717 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000408132958 152154318 /nfs/dbraw/zinc/15/43/18/152154318.db2.gz NACICHZBOUHQHG-ZDUSSCGKSA-N 0 0 342.417 2.528 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408187172 152161238 /nfs/dbraw/zinc/16/12/38/152161238.db2.gz LCTYRAOUPOHGES-BIMULSAOSA-N 0 0 332.381 2.652 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000408302846 152173933 /nfs/dbraw/zinc/17/39/33/152173933.db2.gz JNZYYVRUABLNHK-AGIUHOORSA-N 0 0 326.418 2.791 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000408303679 152174127 /nfs/dbraw/zinc/17/41/27/152174127.db2.gz RUULZWIALCNOIQ-FRRDWIJNSA-N 0 0 326.418 2.791 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2C[C@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000408315244 152175139 /nfs/dbraw/zinc/17/51/39/152175139.db2.gz GECNKSMCEFDUJC-SECBINFHSA-N 0 0 330.381 2.851 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000408331627 152177733 /nfs/dbraw/zinc/17/77/33/152177733.db2.gz RTNDJXYVHNNNSJ-YJBOKZPZSA-N 0 0 347.415 2.740 10 5 EFBERN COc1ccc(C[C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000171515484 286313941 /nfs/dbraw/zinc/31/39/41/286313941.db2.gz IHRFDDZCNXRSAH-GFCCVEGCSA-N 0 0 344.367 2.973 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)n1 ZINC000450662033 292289201 /nfs/dbraw/zinc/28/92/01/292289201.db2.gz WAAKCSRQYYLHKO-YOEHRIQHSA-N 0 0 331.347 2.603 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@]3(CCOC3)C2)c1 ZINC000456710557 292290310 /nfs/dbraw/zinc/29/03/10/292290310.db2.gz HWYMZKKCWQZZFB-SFHVURJKSA-N 0 0 348.399 2.701 10 5 EFBERN C[C@@H]1CC[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000179695557 296690546 /nfs/dbraw/zinc/69/05/46/296690546.db2.gz CCHGXBBEVUKFJW-KGLIPLIRSA-N 0 0 347.415 2.692 10 5 EFBERN COc1cccc(N2CCN(c3cnccc3C)CC2)c1[N+](=O)[O-] ZINC000359951005 286457238 /nfs/dbraw/zinc/45/72/38/286457238.db2.gz WCEYSOXOCUQTLK-UHFFFAOYSA-N 0 0 328.372 2.633 10 5 EFBERN C[C@@H]1COC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180347054 297151509 /nfs/dbraw/zinc/15/15/09/297151509.db2.gz XWAOREVZADUYAK-DTORHVGOSA-N 0 0 343.177 2.607 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000192489143 292584733 /nfs/dbraw/zinc/58/47/33/292584733.db2.gz HJGDUNNIOJQLDG-CQSZACIVSA-N 0 0 328.324 2.971 10 5 EFBERN Cc1ccc([C@@H](C)NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])o1 ZINC000160180233 225355093 /nfs/dbraw/zinc/35/50/93/225355093.db2.gz CBJQUZYIYXIJFV-GFCCVEGCSA-N 0 0 338.385 2.719 10 5 EFBERN Cn1nccc1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160227366 225365346 /nfs/dbraw/zinc/36/53/46/225365346.db2.gz MZGCNNQMBQEWGS-UHFFFAOYSA-N 0 0 343.265 2.669 10 5 EFBERN Cc1c(CC(=O)N2CCC[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000120411410 221570590 /nfs/dbraw/zinc/57/05/90/221570590.db2.gz QSQFAYVZHDGURI-MRXNPFEDSA-N 0 0 328.372 2.543 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000120315536 221544702 /nfs/dbraw/zinc/54/47/02/221544702.db2.gz DEMHCARKILUKNY-OAHLLOKOSA-N 0 0 348.380 2.879 10 5 EFBERN CC[C@@H](NC(=O)CCc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000121137008 221766738 /nfs/dbraw/zinc/76/67/38/221766738.db2.gz QAEUVKCFBROUNH-MRXNPFEDSA-N 0 0 330.388 2.837 10 5 EFBERN Cn1nccc1CCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000122277555 222052010 /nfs/dbraw/zinc/05/20/10/222052010.db2.gz MHDZWTPXMGMLRA-UHFFFAOYSA-N 0 0 342.277 2.918 10 5 EFBERN COc1cccc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000122658240 222132919 /nfs/dbraw/zinc/13/29/19/222132919.db2.gz ZAVMDHDYVUIEDM-NSHDSACASA-N 0 0 336.369 2.674 10 5 EFBERN Cc1cc(=O)n(C[C@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000123375199 222266207 /nfs/dbraw/zinc/26/62/07/222266207.db2.gz CKAMWYCEODFEHK-AWEZNQCLSA-N 0 0 346.383 2.628 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000123424195 222274833 /nfs/dbraw/zinc/27/48/33/222274833.db2.gz QJYSAYCTLQEGNL-LRDDRELGSA-N 0 0 336.413 2.688 10 5 EFBERN COc1cc(NCCC(=O)N2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000123696102 222319257 /nfs/dbraw/zinc/31/92/57/222319257.db2.gz MPXONYOVJRTGKB-UHFFFAOYSA-N 0 0 339.367 2.947 10 5 EFBERN CCn1cc(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000123937291 222354184 /nfs/dbraw/zinc/35/41/84/222354184.db2.gz LLXOKVIYXDQUIK-UHFFFAOYSA-N 0 0 342.399 2.760 10 5 EFBERN CC[C@@H](NC(=O)C(=O)Nc1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000123963140 222358322 /nfs/dbraw/zinc/35/83/22/222358322.db2.gz HFDQMXCABRNKFD-GFCCVEGCSA-N 0 0 348.384 2.566 10 5 EFBERN CCOC(=O)c1cc(N2CCC(c3cc[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000124049930 222369907 /nfs/dbraw/zinc/36/99/07/222369907.db2.gz IYLZATZNPMGRKA-UHFFFAOYSA-N 0 0 344.371 2.879 10 5 EFBERN O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCCC[C@H]12 ZINC000124844719 222485984 /nfs/dbraw/zinc/48/59/84/222485984.db2.gz ZPTQRAKNKSXTSO-CZUORRHYSA-N 0 0 327.340 2.838 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000172247645 227569685 /nfs/dbraw/zinc/56/96/85/227569685.db2.gz WAOFROOOSWCBAC-INIZCTEOSA-N 0 0 341.367 2.730 10 5 EFBERN Cc1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000092040228 544540559 /nfs/dbraw/zinc/54/05/59/544540559.db2.gz DGOGCSMANGYTAY-RDJZCZTQSA-N 0 0 346.383 2.821 10 5 EFBERN O=C(c1cc(N2CCCSCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264803060 304499241 /nfs/dbraw/zinc/49/92/41/304499241.db2.gz CTJXCSBKNZKYJM-UHFFFAOYSA-N 0 0 335.429 2.774 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1coc(-c2cccs2)n1 ZINC000054121394 292648442 /nfs/dbraw/zinc/64/84/42/292648442.db2.gz JQPUYEQORJKNQN-UHFFFAOYSA-N 0 0 344.352 2.945 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCCOc1ccc(F)cc1 ZINC000041469443 272967661 /nfs/dbraw/zinc/96/76/61/272967661.db2.gz HJYXMHGKIORDSD-UHFFFAOYSA-N 0 0 347.346 2.978 10 5 EFBERN Cc1ccc(S(C)(=O)=O)cc1NCc1csc([N+](=O)[O-])c1 ZINC000037562817 264599896 /nfs/dbraw/zinc/59/98/96/264599896.db2.gz MTNRDBZQVUVDQZ-UHFFFAOYSA-N 0 0 326.399 2.980 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1ccsc1 ZINC000046801810 272979207 /nfs/dbraw/zinc/97/92/07/272979207.db2.gz YYOQJRSPHUFGLF-UHFFFAOYSA-N 0 0 346.817 2.831 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178521606 264904608 /nfs/dbraw/zinc/90/46/08/264904608.db2.gz BJJYFDKWIKQNDA-LBPRGKRZSA-N 0 0 336.388 2.767 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000183995733 265004499 /nfs/dbraw/zinc/00/44/99/265004499.db2.gz JIZQKLHMVTXUGY-SECBINFHSA-N 0 0 333.262 2.988 10 5 EFBERN CCC1(CC)CN(CCOc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185254219 265038859 /nfs/dbraw/zinc/03/88/59/265038859.db2.gz AVVXOQZJCPXICF-QHCPKHFHSA-N 0 0 340.445 2.597 10 5 EFBERN Cc1cc(CCNC(=O)COc2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000188721383 265151028 /nfs/dbraw/zinc/15/10/28/265151028.db2.gz ZYEUVSQWRPDVAT-UHFFFAOYSA-N 0 0 344.367 2.655 10 5 EFBERN CC(C)(C)c1nnsc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000188726522 265151928 /nfs/dbraw/zinc/15/19/28/265151928.db2.gz AKPSTQYPYSTRHW-UHFFFAOYSA-N 0 0 334.401 2.716 10 5 EFBERN CCN(Cc1c[nH]c2ccccc12)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000188953000 265165634 /nfs/dbraw/zinc/16/56/34/265165634.db2.gz DBIPJQXTPMUXFW-UHFFFAOYSA-N 0 0 341.371 2.711 10 5 EFBERN CO[C@H]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000189507872 265192054 /nfs/dbraw/zinc/19/20/54/265192054.db2.gz SFVGAUSIKTZGKF-WPRPVWTQSA-N 0 0 345.302 2.885 10 5 EFBERN CSCCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189702114 265198979 /nfs/dbraw/zinc/19/89/79/265198979.db2.gz SZNGBCCIRCNJCR-UHFFFAOYSA-N 0 0 339.417 2.511 10 5 EFBERN COc1cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000190999545 265247796 /nfs/dbraw/zinc/24/77/96/265247796.db2.gz LINUVWRJTLNNCQ-UHFFFAOYSA-N 0 0 340.332 2.852 10 5 EFBERN Cc1sc(C(=O)N[C@@H](CO)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000191018812 265247944 /nfs/dbraw/zinc/24/79/44/265247944.db2.gz JQHVQVPOMDLDIT-CYBMUJFWSA-N 0 0 334.397 2.607 10 5 EFBERN CO[C@H]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000191676930 265272367 /nfs/dbraw/zinc/27/23/67/265272367.db2.gz ZNYZSVDJEHUMQE-RYUDHWBXSA-N 0 0 342.779 2.701 10 5 EFBERN CSCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191979124 265283580 /nfs/dbraw/zinc/28/35/80/265283580.db2.gz YTHXNPOKQLZTAG-UHFFFAOYSA-N 0 0 332.447 2.633 10 5 EFBERN CCCn1ccnc1CCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000192247066 265288952 /nfs/dbraw/zinc/28/89/52/265288952.db2.gz QTKOWYVMGMHYIP-UHFFFAOYSA-N 0 0 345.403 2.610 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000193637403 265338640 /nfs/dbraw/zinc/33/86/40/265338640.db2.gz JAJHCEVGLBQWBK-NSHDSACASA-N 0 0 333.344 2.794 10 5 EFBERN Cc1cc(COCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000193677186 265342563 /nfs/dbraw/zinc/34/25/63/265342563.db2.gz CBEBXBDREQEUAJ-UHFFFAOYSA-N 0 0 347.371 2.547 10 5 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10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2cccc(OC)c2[N+](=O)[O-])C12CCOCC2 ZINC000185735958 279823307 /nfs/dbraw/zinc/82/33/07/279823307.db2.gz UCNXYHXBQGVQQO-HUUCEWRRSA-N 0 0 336.388 2.990 10 5 EFBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000340130890 279924312 /nfs/dbraw/zinc/92/43/12/279924312.db2.gz LHMJYPHMEXJSGN-WFASDCNBSA-N 0 0 329.356 2.536 10 5 EFBERN O=C([O-])[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc2C1 ZINC000336877866 280071857 /nfs/dbraw/zinc/07/18/57/280071857.db2.gz YGXRDSRDAJUZCS-GOSISDBHSA-N 0 0 326.352 2.697 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCOC[C@@H]1c1ccco1 ZINC000368622257 280164672 /nfs/dbraw/zinc/16/46/72/280164672.db2.gz DCPVNFYKXAVCRW-CYBMUJFWSA-N 0 0 338.266 2.680 10 5 EFBERN Cc1c(NC(=O)c2cncnc2)cc(Br)cc1[N+](=O)[O-] ZINC000431255761 280249099 /nfs/dbraw/zinc/24/90/99/280249099.db2.gz NLOUMGJNUNQVIR-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3Cc4ccccc4[C@@H]3O)cc2N1 ZINC000170982196 280262686 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EFBERN Cc1ccccc1[C@H]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265600810 281397780 /nfs/dbraw/zinc/39/77/80/281397780.db2.gz RRAAYACUBDBDGB-OLZOCXBDSA-N 0 0 340.383 2.780 10 5 EFBERN Cc1n[nH]cc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342212601 281794674 /nfs/dbraw/zinc/79/46/74/281794674.db2.gz YZLXVYRQIHUCOC-UHFFFAOYSA-N 0 0 345.359 2.501 10 5 EFBERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078949636 288373997 /nfs/dbraw/zinc/37/39/97/288373997.db2.gz DMVOVRNPTCKYHO-RKDXNWHRSA-N 0 0 332.278 2.863 10 5 EFBERN COc1ccc2c(c1)CCN2C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000058715774 292669368 /nfs/dbraw/zinc/66/93/68/292669368.db2.gz XKOGWYGCIIZSSV-UHFFFAOYSA-N 0 0 328.324 2.815 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000355962772 288672322 /nfs/dbraw/zinc/67/23/22/288672322.db2.gz XLLDPJRWMHMDHE-FRRDWIJNSA-N 0 0 343.387 2.682 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1 ZINC000064240963 292680237 /nfs/dbraw/zinc/68/02/37/292680237.db2.gz NMPCJCUJUCQAFO-UHFFFAOYSA-N 0 0 346.817 2.831 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000073636788 292727295 /nfs/dbraw/zinc/72/72/95/292727295.db2.gz NHWTVYLEKFLXGQ-NWDGAFQWSA-N 0 0 342.417 2.803 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000073636784 292727149 /nfs/dbraw/zinc/72/71/49/292727149.db2.gz NHWTVYLEKFLXGQ-RYUDHWBXSA-N 0 0 342.417 2.803 10 5 EFBERN CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(F)cc1 ZINC000361193054 290214117 /nfs/dbraw/zinc/21/41/17/290214117.db2.gz ZDOQREZWWMEJPJ-WFASDCNBSA-N 0 0 333.319 2.502 10 5 EFBERN C[C@H]1CC(=O)N(c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1=O ZINC000004684376 290322172 /nfs/dbraw/zinc/32/21/72/290322172.db2.gz DBBIDVAXDNJIDZ-XQQFMLRXSA-N 0 0 345.399 2.977 10 5 EFBERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000365319034 290361306 /nfs/dbraw/zinc/36/13/06/290361306.db2.gz JFKYXWQQCNWHMN-ZDUSSCGKSA-N 0 0 338.429 2.732 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000089225907 292830608 /nfs/dbraw/zinc/83/06/08/292830608.db2.gz RWGBKYQUYAJFGP-OAHLLOKOSA-N 0 0 340.335 2.902 10 5 EFBERN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncccc1F ZINC000090127385 292851774 /nfs/dbraw/zinc/85/17/74/292851774.db2.gz BNWWFXRIJCWYJJ-UHFFFAOYSA-N 0 0 328.303 2.816 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3nc(C4CCCC4)no3)n2)c1 ZINC000119288601 292904639 /nfs/dbraw/zinc/90/46/39/292904639.db2.gz XWPSYDHAOAFQMP-UHFFFAOYSA-N 0 0 340.343 2.942 10 5 EFBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000119598312 292911133 /nfs/dbraw/zinc/91/11/33/292911133.db2.gz YOFNBXDZPANOLI-KGLIPLIRSA-N 0 0 335.360 2.838 10 5 EFBERN O=C(NCc1cscn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121300275 292942415 /nfs/dbraw/zinc/94/24/15/292942415.db2.gz MKQLCUKBTXURIM-UHFFFAOYSA-N 0 0 332.385 2.926 10 5 EFBERN Cc1ccn2c(c1)nnc2NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000121915385 292954574 /nfs/dbraw/zinc/95/45/74/292954574.db2.gz XUGUFBVZBPZJTD-UHFFFAOYSA-N 0 0 343.368 2.677 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000124633434 293000583 /nfs/dbraw/zinc/00/05/83/293000583.db2.gz HXWLFAPQPVKQGW-SKDRFNHKSA-N 0 0 340.763 2.710 10 5 EFBERN Cc1c(CC(=O)NCc2nccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000125245329 293007662 /nfs/dbraw/zinc/00/76/62/293007662.db2.gz TWUXYILJIYZTLS-UHFFFAOYSA-N 0 0 330.388 2.615 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125502634 293011043 /nfs/dbraw/zinc/01/10/43/293011043.db2.gz JQBHPWUADNKUIV-UHFFFAOYSA-N 0 0 346.412 2.816 10 5 EFBERN COC(=O)c1cc(N[C@H](CO)Cc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000127863824 293083544 /nfs/dbraw/zinc/08/35/44/293083544.db2.gz XKYJJTBHLQLCKG-HNNXBMFYSA-N 0 0 344.367 2.705 10 5 EFBERN CCC(C)(C)c1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000127907806 293085009 /nfs/dbraw/zinc/08/50/09/293085009.db2.gz LVJLOHIGRUQRPR-UHFFFAOYSA-N 0 0 330.388 2.909 10 5 EFBERN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(Cc1csc([N+](=O)[O-])c1)C2=O ZINC000128206728 293094619 /nfs/dbraw/zinc/09/46/19/293094619.db2.gz PIKINYDBTQZJBS-NXEZZACHSA-N 0 0 337.401 2.903 10 5 EFBERN Cc1nn(C)c(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000128729720 293113140 /nfs/dbraw/zinc/11/31/40/293113140.db2.gz IEKJVDRKUCLQDG-LBPRGKRZSA-N 0 0 330.388 2.648 10 5 EFBERN Cc1ccc(C[C@@H](C)N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000128883438 293117460 /nfs/dbraw/zinc/11/74/60/293117460.db2.gz CHIDHIRFMIPSDQ-CQSZACIVSA-N 0 0 330.388 2.579 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129299356 293130540 /nfs/dbraw/zinc/13/05/40/293130540.db2.gz NRALRNJGYSFNHG-UHFFFAOYSA-N 0 0 336.779 2.571 10 5 EFBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000129850314 293146036 /nfs/dbraw/zinc/14/60/36/293146036.db2.gz IRXNKBPNZVJPHK-DOTOQJQBSA-N 0 0 349.431 2.768 10 5 EFBERN CNC(=O)c1cccc(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000130074124 293153836 /nfs/dbraw/zinc/15/38/36/293153836.db2.gz DQJYVMTVCJJZNY-UHFFFAOYSA-N 0 0 341.367 2.834 10 5 EFBERN Cc1cccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000130320677 293161949 /nfs/dbraw/zinc/16/19/49/293161949.db2.gz TWPMUSYMQRFXRQ-UHFFFAOYSA-N 0 0 340.383 2.828 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000130938456 293182752 /nfs/dbraw/zinc/18/27/52/293182752.db2.gz ZLPMWSZCQVDXPH-LLVKDONJSA-N 0 0 346.364 2.963 10 5 EFBERN C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCOCC1 ZINC000131146903 293188213 /nfs/dbraw/zinc/18/82/13/293188213.db2.gz FRHKGNFRSUOEQO-NSHDSACASA-N 0 0 344.371 2.986 10 5 EFBERN Cc1cccc(NC(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131319710 293193321 /nfs/dbraw/zinc/19/33/21/293193321.db2.gz IUMBPUQIMBSLKM-UHFFFAOYSA-N 0 0 325.368 2.900 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSC1CCOCC1 ZINC000131744936 293207346 /nfs/dbraw/zinc/20/73/46/293207346.db2.gz QOCQRBJAASXAQO-UHFFFAOYSA-N 0 0 338.385 2.805 10 5 EFBERN CNC(=O)Cc1nc(CNc2cc([N+](=O)[O-])c(C)cc2C)cs1 ZINC000132805004 293237707 /nfs/dbraw/zinc/23/77/07/293237707.db2.gz JQUVWDJLJKAKCY-UHFFFAOYSA-N 0 0 334.401 2.569 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cc3ccccc3o2)c1 ZINC000151830792 293304153 /nfs/dbraw/zinc/30/41/53/293304153.db2.gz YMOKHUIVTIWVEZ-UHFFFAOYSA-N 0 0 346.364 2.961 10 5 EFBERN COc1ccc(C(=O)N(C)CCc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000152521165 293337757 /nfs/dbraw/zinc/33/77/57/293337757.db2.gz RJDNRZYOOHBMPZ-UHFFFAOYSA-N 0 0 335.385 2.683 10 5 EFBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCCC1=CCCCC1 ZINC000153096808 293360932 /nfs/dbraw/zinc/36/09/32/293360932.db2.gz BKYABZJSDOWFIU-UHFFFAOYSA-N 0 0 343.427 2.960 10 5 EFBERN Cc1nnc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C1CC1 ZINC000153270084 293368495 /nfs/dbraw/zinc/36/84/95/293368495.db2.gz IOPRRVPIDOFYOA-UHFFFAOYSA-N 0 0 327.388 2.994 10 5 EFBERN Cc1ccccc1CNC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153362859 293371919 /nfs/dbraw/zinc/37/19/19/293371919.db2.gz XXOBTIXDBDIJNJ-UHFFFAOYSA-N 0 0 339.395 2.578 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCc3ccccc32)c1 ZINC000153623292 293385080 /nfs/dbraw/zinc/38/50/80/293385080.db2.gz LBDDCSLWCYOBIC-OAHLLOKOSA-N 0 0 346.408 2.744 10 5 EFBERN Cc1nc([N+](=O)[O-])c(Sc2nc3cc(F)c(F)cc3[nH]2)n1C ZINC000071904072 293394668 /nfs/dbraw/zinc/39/46/68/293394668.db2.gz BGPCBQHVIDWPCU-UHFFFAOYSA-N 0 0 325.300 2.942 10 5 EFBERN CCOc1ccc(C(=O)Nc2ccc3n[nH]nc3c2)cc1[N+](=O)[O-] ZINC000153883743 293399407 /nfs/dbraw/zinc/39/94/07/293399407.db2.gz DGHCWYYOQHBESL-UHFFFAOYSA-N 0 0 327.300 2.517 10 5 EFBERN CN(c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1)C1CC1 ZINC000155933947 293493016 /nfs/dbraw/zinc/49/30/16/293493016.db2.gz RAPHXYVBZKACRB-UHFFFAOYSA-N 0 0 346.368 2.606 10 5 EFBERN COc1cccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1F ZINC000157040060 293530846 /nfs/dbraw/zinc/53/08/46/293530846.db2.gz XUZRMQQJPPVNHF-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000246060623 293652195 /nfs/dbraw/zinc/65/21/95/293652195.db2.gz DFCXQGSPUSSWLY-WCQYABFASA-N 0 0 340.401 2.557 10 5 EFBERN C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000246713743 293693330 /nfs/dbraw/zinc/69/33/30/293693330.db2.gz NQPGKKCWGLWOHA-IMRBUKKESA-N 0 0 326.418 2.839 10 5 EFBERN Cc1nn(C)c(Oc2ccc(C)nc2Br)c1[N+](=O)[O-] ZINC000130109575 293745072 /nfs/dbraw/zinc/74/50/72/293745072.db2.gz OTOMHPAZPGWTFS-UHFFFAOYSA-N 0 0 327.138 2.895 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000248942492 293769573 /nfs/dbraw/zinc/76/95/73/293769573.db2.gz YXVKXKHZPSRARP-BFYDXBDKSA-N 0 0 334.416 2.831 10 5 EFBERN COc1ccc(CNCC(F)(F)Br)cc1[N+](=O)[O-] ZINC000290034427 293982603 /nfs/dbraw/zinc/98/26/03/293982603.db2.gz FFYRUGBRVMOKLI-UHFFFAOYSA-N 0 0 325.109 2.681 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000451617367 297061117 /nfs/dbraw/zinc/06/11/17/297061117.db2.gz XRFWJLBXQMGBBZ-RNFRBKRXSA-N 0 0 339.200 2.931 10 5 EFBERN C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000290757730 294176347 /nfs/dbraw/zinc/17/63/47/294176347.db2.gz JPSLXKDXHLVNST-QMTHXVAHSA-N 0 0 344.346 2.815 10 5 EFBERN Cc1sc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000290779240 294183167 /nfs/dbraw/zinc/18/31/67/294183167.db2.gz RZOMQRHLCLNWSH-SNVBAGLBSA-N 0 0 340.792 2.902 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000290878814 294210612 /nfs/dbraw/zinc/21/06/12/294210612.db2.gz JLYPWMIIJKXMQR-HKUYNNGSSA-N 0 0 340.379 2.799 10 5 EFBERN Cc1cc(N[C@H]2CCCN(c3ncccn3)C2)c(F)cc1[N+](=O)[O-] ZINC000290998385 294243031 /nfs/dbraw/zinc/24/30/31/294243031.db2.gz SQYDGUOYNIAFDL-LBPRGKRZSA-N 0 0 331.351 2.913 10 5 EFBERN COCCC1(C)CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000291004441 294244212 /nfs/dbraw/zinc/24/42/12/294244212.db2.gz LNCVGNYRLCNMGA-UHFFFAOYSA-N 0 0 349.431 2.986 10 5 EFBERN CC(=O)N(C)c1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cc1 ZINC000291123677 294282967 /nfs/dbraw/zinc/28/29/67/294282967.db2.gz VFLKGRFRYLHBAD-UHFFFAOYSA-N 0 0 332.360 2.707 10 5 EFBERN COCCC1(C)CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000291330498 294350016 /nfs/dbraw/zinc/35/00/16/294350016.db2.gz VNOLSBGJHDIECC-LBPRGKRZSA-N 0 0 338.429 2.960 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCc1nccs1 ZINC000291472136 294390869 /nfs/dbraw/zinc/39/08/69/294390869.db2.gz QMAKZGOCKBYXEI-UHFFFAOYSA-N 0 0 335.385 2.813 10 5 EFBERN CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000291629323 294436262 /nfs/dbraw/zinc/43/62/62/294436262.db2.gz JDKJAZDVCJIBAB-LLVKDONJSA-N 0 0 344.314 2.836 10 5 EFBERN Cc1cc(NC(=O)[C@H]2CCCN2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000291761801 294476085 /nfs/dbraw/zinc/47/60/85/294476085.db2.gz OQRGBWFDGVKTCO-GFCCVEGCSA-N 0 0 331.294 2.868 10 5 EFBERN Cc1cc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000291761803 294476168 /nfs/dbraw/zinc/47/61/68/294476168.db2.gz OQRGBWFDGVKTCO-LBPRGKRZSA-N 0 0 331.294 2.868 10 5 EFBERN C[C@H]1OCC[C@@]12CN(c1c3ccccc3ncc1[N+](=O)[O-])CCO2 ZINC000291785260 294483529 /nfs/dbraw/zinc/48/35/29/294483529.db2.gz CUSQJUPJKSYIKR-SJKOYZFVSA-N 0 0 329.356 2.527 10 5 EFBERN NC(=O)CCC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291815516 294492425 /nfs/dbraw/zinc/49/24/25/294492425.db2.gz FNHCXTOYOAALMI-UHFFFAOYSA-N 0 0 328.372 2.625 10 5 EFBERN CC[C@@H]1CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000291883900 294512082 /nfs/dbraw/zinc/51/20/82/294512082.db2.gz HFTZOHRTLQORTQ-SECBINFHSA-N 0 0 349.206 2.530 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CCC1)C1CCC1 ZINC000291895406 294515343 /nfs/dbraw/zinc/51/53/43/294515343.db2.gz IKMGEEJPSKFKMA-UHFFFAOYSA-N 0 0 340.401 2.699 10 5 EFBERN CC[C@@H]1CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000292002884 294548508 /nfs/dbraw/zinc/54/85/08/294548508.db2.gz VAOFWRXOLUYGPS-SECBINFHSA-N 0 0 349.206 2.530 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292441424 294685156 /nfs/dbraw/zinc/68/51/56/294685156.db2.gz XBTDPMFZDKNWRF-OLZOCXBDSA-N 0 0 346.355 2.569 10 5 EFBERN CCOC(=O)c1csc(COC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000292467273 294692452 /nfs/dbraw/zinc/69/24/52/294692452.db2.gz ANVQMKBZMBVFQI-UHFFFAOYSA-N 0 0 342.354 2.647 10 5 EFBERN C[C@@H](NC(=O)[C@@H]1CCCN1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292537288 294714038 /nfs/dbraw/zinc/71/40/38/294714038.db2.gz ICAJSFOPPUMDJI-MFKMUULPSA-N 0 0 345.321 2.799 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000292846751 294802699 /nfs/dbraw/zinc/80/26/99/294802699.db2.gz RACHDSGZYUAIDI-STQMWFEESA-N 0 0 327.340 2.992 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]1O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293198944 294905354 /nfs/dbraw/zinc/90/53/54/294905354.db2.gz BXJYZTOTPAEJGO-QPUJVOFHSA-N 0 0 332.278 2.504 10 5 EFBERN CCc1cc(N2CC[C@@H]2COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293212017 294908746 /nfs/dbraw/zinc/90/87/46/294908746.db2.gz VBQBVKYBASNFAB-OAHLLOKOSA-N 0 0 328.372 2.839 10 5 EFBERN Cc1cc(N2CC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293253209 294921242 /nfs/dbraw/zinc/92/12/42/294921242.db2.gz ZZDIKEYMRQNQAK-CQSZACIVSA-N 0 0 343.305 2.638 10 5 EFBERN COc1cc(C(=O)N2CCOCC23CCCCC3)ccc1[N+](=O)[O-] ZINC000456520855 294931283 /nfs/dbraw/zinc/93/12/83/294931283.db2.gz KOARQACOBSFHPO-UHFFFAOYSA-N 0 0 334.372 2.779 10 5 EFBERN CC[C@@H](NC(=O)NCc1snnc1C)c1cccc([N+](=O)[O-])c1 ZINC000293602635 295009720 /nfs/dbraw/zinc/00/97/20/295009720.db2.gz XXVXJQIDJGSWPD-GFCCVEGCSA-N 0 0 335.389 2.705 10 5 EFBERN O=C(N[C@H]1CCCc2sc(Cl)cc21)c1[nH]ncc1[N+](=O)[O-] ZINC000293688225 295027993 /nfs/dbraw/zinc/02/79/93/295027993.db2.gz MBUPZPCOVSVXHX-ZETCQYMHSA-N 0 0 326.765 2.840 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOC[C@@H](C2CCC2)C1 ZINC000293940360 295083251 /nfs/dbraw/zinc/08/32/51/295083251.db2.gz RHGVQVWCDVQSKL-ZDUSSCGKSA-N 0 0 343.383 2.965 10 5 EFBERN CCc1nocc1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294130733 295115897 /nfs/dbraw/zinc/11/58/97/295115897.db2.gz NQNXIAVRNJRGCF-UHFFFAOYSA-N 0 0 328.328 2.899 10 5 EFBERN COc1cc(N2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000294169581 295121965 /nfs/dbraw/zinc/12/19/65/295121965.db2.gz RWCPHWPYVSWUNG-MRXNPFEDSA-N 0 0 326.368 2.977 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294219888 295130338 /nfs/dbraw/zinc/13/03/38/295130338.db2.gz ORXDZUQKFDDDPJ-INIZCTEOSA-N 0 0 330.384 2.934 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](O)C12CCCC2 ZINC000294335307 295149353 /nfs/dbraw/zinc/14/93/53/295149353.db2.gz WQBIGWBIFXWLAZ-CJTWTEFWSA-N 0 0 330.384 2.904 10 5 EFBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCCSCC1 ZINC000294377380 295156816 /nfs/dbraw/zinc/15/68/16/295156816.db2.gz HDMYHPCMHRJHCL-UHFFFAOYSA-N 0 0 332.385 2.564 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1Cc2ccccc2C2(CCC2)C1 ZINC000376201591 295173964 /nfs/dbraw/zinc/17/39/64/295173964.db2.gz XJMFFLLAEAHCQC-UHFFFAOYSA-N 0 0 338.367 2.531 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCc1ccsc1 ZINC000294565959 295186899 /nfs/dbraw/zinc/18/68/99/295186899.db2.gz ZPSCGALWFXZQRK-UHFFFAOYSA-N 0 0 332.381 2.978 10 5 EFBERN COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408302691 295197118 /nfs/dbraw/zinc/19/71/18/295197118.db2.gz IAKGQKKWESRICT-UTUOFQBUSA-N 0 0 342.417 2.659 10 5 EFBERN NC1=C([N+](=O)[O-])[C@H](c2ccsc2)c2c(=O)oc3ccccc3c2O1 ZINC000005777035 295209418 /nfs/dbraw/zinc/20/94/18/295209418.db2.gz WLQSKLOIORJIKY-LLVKDONJSA-N 0 0 342.332 2.783 10 5 EFBERN CC(C)[C@@]1(CO)CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000294768731 295224083 /nfs/dbraw/zinc/22/40/83/295224083.db2.gz NRMVIRDOFVHYTO-SFHVURJKSA-N 0 0 345.399 2.947 10 5 EFBERN CCn1ccnc1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000294869943 295239122 /nfs/dbraw/zinc/23/91/22/295239122.db2.gz BBHWSFKLMROJOS-FNORWQNLSA-N 0 0 330.344 2.610 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294879941 295240427 /nfs/dbraw/zinc/24/04/27/295240427.db2.gz OVXJIMIACNJPOJ-AEFFLSMTSA-N 0 0 341.367 2.860 10 5 EFBERN C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000294901281 295243103 /nfs/dbraw/zinc/24/31/03/295243103.db2.gz JGNWKRMCDHANNI-DOMZBBRYSA-N 0 0 338.379 2.950 10 5 EFBERN C[C@H]1[C@@H](O)CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003911 295256559 /nfs/dbraw/zinc/25/65/59/295256559.db2.gz LPIKVZGCOZOIDD-ZANVPECISA-N 0 0 329.194 2.703 10 5 EFBERN CC[C@@H](C)[C@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])OC ZINC000295051695 295262041 /nfs/dbraw/zinc/26/20/41/295262041.db2.gz XSURSHMKGSDPQM-SKDRFNHKSA-N 0 0 325.365 2.558 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295122861 295270894 /nfs/dbraw/zinc/27/08/94/295270894.db2.gz XAGUZKVOMZODRG-CYBMUJFWSA-N 0 0 332.360 2.782 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1[N+](=O)[O-] ZINC000194543697 295288267 /nfs/dbraw/zinc/28/82/67/295288267.db2.gz BMBJKUFVBLYGAM-KGLIPLIRSA-N 0 0 344.371 2.714 10 5 EFBERN COc1cccc(CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000443956479 295294087 /nfs/dbraw/zinc/29/40/87/295294087.db2.gz JRBDHXMTEAYZFR-UHFFFAOYSA-N 0 0 344.371 2.979 10 5 EFBERN CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000295318619 295299903 /nfs/dbraw/zinc/29/99/03/295299903.db2.gz CZVAVBIVVWFELO-JTQLQIEISA-N 0 0 334.294 2.991 10 5 EFBERN Cc1nn([C@H](C(=O)N2CCc3ccccc3C2)C(C)C)cc1[N+](=O)[O-] ZINC000295321257 295300321 /nfs/dbraw/zinc/30/03/21/295300321.db2.gz LSCMITCHAKXFHI-KRWDZBQOSA-N 0 0 342.399 2.882 10 5 EFBERN C[C@@H]1C[C@@H](S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000295323089 295300728 /nfs/dbraw/zinc/30/07/28/295300728.db2.gz WOGMKUKQIHGJCR-SCZZXKLOSA-N 0 0 335.765 2.524 10 5 EFBERN CCOc1ccc(NC(=O)CN2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000295356841 295305967 /nfs/dbraw/zinc/30/59/67/295305967.db2.gz IYPRVSRRCZZXIC-MRXNPFEDSA-N 0 0 339.367 2.756 10 5 EFBERN C[C@H]1C[C@@H](S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000295362225 295307134 /nfs/dbraw/zinc/30/71/34/295307134.db2.gz JJCIORKRULDBNM-WPRPVWTQSA-N 0 0 335.765 2.524 10 5 EFBERN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@H]2CCCC2(F)F)cc1F ZINC000295381797 295310805 /nfs/dbraw/zinc/31/08/05/295310805.db2.gz KMKBGDKOCDZFOL-MRVPVSSYSA-N 0 0 339.291 2.878 10 5 EFBERN CC[C@H](NC(=O)C[C@H]1CCOC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000295386641 295311325 /nfs/dbraw/zinc/31/13/25/295311325.db2.gz SUCAMPXBNWJHKM-VNQPRFMTSA-N 0 0 336.388 2.604 10 5 EFBERN Cc1nc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)ncc1[N+](=O)[O-] ZINC000295410267 295315098 /nfs/dbraw/zinc/31/50/98/295315098.db2.gz DEIDHHSIKXVSKK-LLVKDONJSA-N 0 0 332.364 2.584 10 5 EFBERN CCOC(=O)c1cc(C(=O)NCCCC(C)(F)F)cc([N+](=O)[O-])c1 ZINC000295479921 295327577 /nfs/dbraw/zinc/32/75/77/295327577.db2.gz INGVQWWLHKKIOY-UHFFFAOYSA-N 0 0 344.314 2.937 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000295539256 295337639 /nfs/dbraw/zinc/33/76/39/295337639.db2.gz SFCGSOTUAWXRQF-YPMHNXCESA-N 0 0 330.331 2.853 10 5 EFBERN CC(C)N(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1COC1 ZINC000295551120 295339784 /nfs/dbraw/zinc/33/97/84/295339784.db2.gz DQASYRVHSRFUPE-UHFFFAOYSA-N 0 0 347.396 2.968 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CCC[C@](C)(F)C2)cc([N+](=O)[O-])c1 ZINC000295554089 295340010 /nfs/dbraw/zinc/34/00/10/295340010.db2.gz KSFPCCNQSJVXGC-INIZCTEOSA-N 0 0 338.335 2.736 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CCC(O)CC2)CC1 ZINC000295566184 295341815 /nfs/dbraw/zinc/34/18/15/295341815.db2.gz APSXUVUJLOGTCV-UHFFFAOYSA-N 0 0 332.400 2.681 10 5 EFBERN CCc1nnc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]1 ZINC000295576007 295343664 /nfs/dbraw/zinc/34/36/64/295343664.db2.gz AZZFFGILBNADFQ-UHFFFAOYSA-N 0 0 327.344 2.825 10 5 EFBERN CC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000295584517 295345055 /nfs/dbraw/zinc/34/50/55/295345055.db2.gz WUYPREDNVQFKEZ-ZHAHWJHGSA-N 0 0 348.371 2.596 10 5 EFBERN C[C@@]1(F)CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000295638908 295353033 /nfs/dbraw/zinc/35/30/33/295353033.db2.gz SXYGRDKVZVGHEU-MRXNPFEDSA-N 0 0 332.335 2.745 10 5 EFBERN CC(C)c1nnc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000295644842 295354130 /nfs/dbraw/zinc/35/41/30/295354130.db2.gz YRJKCEMATVTEPI-UHFFFAOYSA-N 0 0 347.444 2.892 10 5 EFBERN COc1cc(OCC(=O)NCCCC(C)(F)F)ccc1[N+](=O)[O-] ZINC000295669261 295358030 /nfs/dbraw/zinc/35/80/30/295358030.db2.gz WUNHHRWFUBMVFM-UHFFFAOYSA-N 0 0 332.303 2.534 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000180783506 295362373 /nfs/dbraw/zinc/36/23/73/295362373.db2.gz XADWBHLWEQZHFZ-SNVBAGLBSA-N 0 0 332.385 2.653 10 5 EFBERN Cn1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(C2CCCCC2)n1 ZINC000295706351 295363885 /nfs/dbraw/zinc/36/38/85/295363885.db2.gz BGMGSYRHNFIJGB-UHFFFAOYSA-N 0 0 345.359 2.729 10 5 EFBERN O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000295780985 295375438 /nfs/dbraw/zinc/37/54/38/295375438.db2.gz LUVVSEUILIXZAF-WPRPVWTQSA-N 0 0 347.293 2.936 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295873681 295389921 /nfs/dbraw/zinc/38/99/21/295389921.db2.gz LRBFKBLNJSQGGT-LLVKDONJSA-N 0 0 343.177 2.655 10 5 EFBERN Cc1cccnc1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000295919806 295396858 /nfs/dbraw/zinc/39/68/58/295396858.db2.gz GLPBYEZVCAZGJX-UHFFFAOYSA-N 0 0 342.399 2.849 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000296197058 295440136 /nfs/dbraw/zinc/44/01/36/295440136.db2.gz TXTCDBXCWNXYSN-MWLCHTKSSA-N 0 0 348.325 2.679 10 5 EFBERN CC(C)(C)OC(=O)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296300482 295455369 /nfs/dbraw/zinc/45/53/69/295455369.db2.gz ZNUCTVHHFGZAMO-UHFFFAOYSA-N 0 0 340.763 2.662 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000089780807 295554606 /nfs/dbraw/zinc/55/46/06/295554606.db2.gz VJBGJCNQHKLUQH-HOCLYGCPSA-N 0 0 344.367 2.845 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000408169701 301204934 /nfs/dbraw/zinc/20/49/34/301204934.db2.gz ACBCEBKCEWLBHF-UKRRQHHQSA-N 0 0 344.415 2.586 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000352709678 301553525 /nfs/dbraw/zinc/55/35/25/301553525.db2.gz NFIFFCLDOXVGOR-SECBINFHSA-N 0 0 338.307 2.537 10 5 EFBERN Cc1ccc([C@@H]2CCCCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)o1 ZINC000127409007 301729530 /nfs/dbraw/zinc/72/95/30/301729530.db2.gz KERVARIAWASRMM-LBPRGKRZSA-N 0 0 332.360 2.906 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000345215988 301857257 /nfs/dbraw/zinc/85/72/57/301857257.db2.gz DUYLFRWBVZOLPN-IHRRRGAJSA-N 0 0 336.388 2.696 10 5 EFBERN Cc1csc([C@H]2COCCN2c2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000189136970 302452642 /nfs/dbraw/zinc/45/26/42/302452642.db2.gz NYKJFRBJCMYQOQ-LLVKDONJSA-N 0 0 340.792 2.986 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000364964975 302511329 /nfs/dbraw/zinc/51/13/29/302511329.db2.gz ROPDNOCYLACHDO-INIZCTEOSA-N 0 0 330.388 2.817 10 5 EFBERN NC(=O)c1ccc(CN2CCCC[C@@H]2c2nccs2)c([N+](=O)[O-])c1 ZINC000195363862 303343154 /nfs/dbraw/zinc/34/31/54/303343154.db2.gz LVECTYYXITWAOH-CYBMUJFWSA-N 0 0 346.412 2.877 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000450655883 304801555 /nfs/dbraw/zinc/80/15/55/304801555.db2.gz YCRBGXGTHXZBTM-FMKPAKJESA-N 0 0 343.383 2.509 10 5 EFBERN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000134532047 310642664 /nfs/dbraw/zinc/64/26/64/310642664.db2.gz OUBNLPKFSCYFLQ-UHFFFAOYSA-N 0 0 348.380 2.949 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCCC[C@@H]1CCCC[C@H]1O ZINC000134630399 310644558 /nfs/dbraw/zinc/64/45/58/310644558.db2.gz PQIYCQQATWUMIX-WMLDXEAASA-N 0 0 349.431 2.844 10 5 EFBERN CC(=O)c1cnc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000135065975 310650576 /nfs/dbraw/zinc/65/05/76/310650576.db2.gz PTXCAHNTEFZUEO-UHFFFAOYSA-N 0 0 344.352 2.916 10 5 EFBERN CC(C)N(C[C@@H](C)O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000150953340 310677588 /nfs/dbraw/zinc/67/75/88/310677588.db2.gz GBAYLULQDOTMRA-CQSZACIVSA-N 0 0 337.420 2.718 10 5 EFBERN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000159919352 310692872 /nfs/dbraw/zinc/69/28/72/310692872.db2.gz DSXXUSMJQCEVHQ-JTQLQIEISA-N 0 0 341.414 2.789 10 5 EFBERN Nc1c(C(=O)NCCOCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000162875540 310722141 /nfs/dbraw/zinc/72/21/41/310722141.db2.gz KFRVORSDZRPJGP-UHFFFAOYSA-N 0 0 349.774 2.777 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1csc(C(C)C)n1 ZINC000171014825 310741451 /nfs/dbraw/zinc/74/14/51/310741451.db2.gz FGWWQKSQLANBBJ-UHFFFAOYSA-N 0 0 334.401 2.851 10 5 EFBERN COc1ccccc1C(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171201788 310744368 /nfs/dbraw/zinc/74/43/68/310744368.db2.gz ZAFMUOXHBHUSFA-UHFFFAOYSA-N 0 0 329.356 2.972 10 5 EFBERN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)c2ccccc21 ZINC000171929163 310755021 /nfs/dbraw/zinc/75/50/21/310755021.db2.gz XMZLXOFLARWGJP-OAHLLOKOSA-N 0 0 340.335 2.820 10 5 EFBERN CN(C)C(=O)C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172017815 310756523 /nfs/dbraw/zinc/75/65/23/310756523.db2.gz KOLVFYQMYYYXFL-UHFFFAOYSA-N 0 0 325.796 2.548 10 5 EFBERN Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000297161191 310860150 /nfs/dbraw/zinc/86/01/50/310860150.db2.gz WAQKWJLSLSCQGZ-NVXWUHKLSA-N 0 0 341.367 2.948 10 5 EFBERN CCOC(=O)Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000297306088 310878779 /nfs/dbraw/zinc/87/87/79/310878779.db2.gz YEBOMMJXIUEKJN-UHFFFAOYSA-N 0 0 349.368 2.718 10 5 EFBERN C[C@H](NC(=O)NC[C@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000297447315 310895754 /nfs/dbraw/zinc/89/57/54/310895754.db2.gz BJXZURQJGCDTJM-XJKSGUPXSA-N 0 0 343.383 2.731 10 5 EFBERN COC(=O)Cc1ccc(NCCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000297555602 310908074 /nfs/dbraw/zinc/90/80/74/310908074.db2.gz RFDBTDRIOPJCTO-UHFFFAOYSA-N 0 0 329.356 2.750 10 5 EFBERN C[C@@]12CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000297872001 310936625 /nfs/dbraw/zinc/93/66/25/310936625.db2.gz OHCZQTJVXAQHHL-WCQYABFASA-N 0 0 332.253 2.990 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000298516528 310998509 /nfs/dbraw/zinc/99/85/09/310998509.db2.gz BMYARWBANWRZNM-KCQAQPDRSA-N 0 0 335.404 2.815 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000298579603 311005279 /nfs/dbraw/zinc/00/52/79/311005279.db2.gz LGAGQTQQZZFWIZ-UHFFFAOYSA-N 0 0 330.348 2.526 10 5 EFBERN O=C(NCc1ccco1)[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000298765043 311021559 /nfs/dbraw/zinc/02/15/59/311021559.db2.gz XRHXAWYZPDEGSQ-CYBMUJFWSA-N 0 0 335.385 2.530 10 5 EFBERN COC(=O)CCCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000299300518 311070501 /nfs/dbraw/zinc/07/05/01/311070501.db2.gz YLBWWJYVZLBMDS-LLVKDONJSA-N 0 0 340.401 2.535 10 5 EFBERN C[C@@]1(F)CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000299379103 311078750 /nfs/dbraw/zinc/07/87/50/311078750.db2.gz QSKJODPFHRAKGO-CQSZACIVSA-N 0 0 343.742 2.537 10 5 EFBERN Cn1ncc2c1CCC[C@@H]2NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299566542 311097834 /nfs/dbraw/zinc/09/78/34/311097834.db2.gz NRSQERCYXCHKRF-HNNXBMFYSA-N 0 0 339.355 2.617 10 5 EFBERN CC(=O)c1ccc(N2CCO[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000299609467 311102289 /nfs/dbraw/zinc/10/22/89/311102289.db2.gz MQMOXFZBTYHOIO-AWEZNQCLSA-N 0 0 333.369 2.832 10 5 EFBERN Cc1nc(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC000299656730 311107936 /nfs/dbraw/zinc/10/79/36/311107936.db2.gz ZLIKMBMPOPYOGT-NSHDSACASA-N 0 0 347.331 2.654 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCc2c1cccc2Cl ZINC000301089526 311118334 /nfs/dbraw/zinc/11/83/34/311118334.db2.gz KXCRNIKYNZMTTF-CYBMUJFWSA-N 0 0 332.747 2.842 10 5 EFBERN CN(CC(=O)NC(C)(C)C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301095532 311118620 /nfs/dbraw/zinc/11/86/20/311118620.db2.gz VJULOUQVSHAKCP-UHFFFAOYSA-N 0 0 344.209 2.708 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1nc2ccccc2s1 ZINC000301099126 311118726 /nfs/dbraw/zinc/11/87/26/311118726.db2.gz PCUOVAXQDGICGX-UHFFFAOYSA-N 0 0 332.366 2.850 10 5 EFBERN CC(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301105120 311119300 /nfs/dbraw/zinc/11/93/00/311119300.db2.gz RYNMKFPCJAOMKN-UHFFFAOYSA-N 0 0 328.372 2.849 10 5 EFBERN CSCCc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301179586 311122924 /nfs/dbraw/zinc/12/29/24/311122924.db2.gz YSAACGCLWUPYGU-UHFFFAOYSA-N 0 0 332.385 2.738 10 5 EFBERN COc1cc(OC)c(CNc2ncc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000301189958 311123442 /nfs/dbraw/zinc/12/34/42/311123442.db2.gz LVXVYPBHQKFSNJ-UHFFFAOYSA-N 0 0 333.344 2.936 10 5 EFBERN CCc1nc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cs1 ZINC000301214554 311124918 /nfs/dbraw/zinc/12/49/18/311124918.db2.gz ZEOBEYJENZYPCK-UHFFFAOYSA-N 0 0 341.414 2.629 10 5 EFBERN COC(=O)c1cc(N[C@@H](C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000301235058 311125780 /nfs/dbraw/zinc/12/57/80/311125780.db2.gz LJIICMVPKRAJKD-NSHDSACASA-N 0 0 343.339 2.821 10 5 EFBERN Cc1c(CNc2ncc([N+](=O)[O-])cc2C(N)=O)oc2ccccc12 ZINC000301258520 311127542 /nfs/dbraw/zinc/12/75/42/311127542.db2.gz DZZYVHJNDUUZAY-UHFFFAOYSA-N 0 0 326.312 2.755 10 5 EFBERN Cc1noc(COc2ccc(Oc3c([N+](=O)[O-])c(C)nn3C)cc2)n1 ZINC000301263728 311127722 /nfs/dbraw/zinc/12/77/22/311127722.db2.gz FWWIMWKOBCEIEU-UHFFFAOYSA-N 0 0 345.315 2.699 10 5 EFBERN Cc1cc(N(C)C[C@@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301266174 311128223 /nfs/dbraw/zinc/12/82/23/311128223.db2.gz WFTHNFCFAFCDRY-HNNXBMFYSA-N 0 0 328.372 2.975 10 5 EFBERN CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000301270397 311128472 /nfs/dbraw/zinc/12/84/72/311128472.db2.gz GXCCSJFKFQNEMS-OAHLLOKOSA-N 0 0 329.331 2.976 10 5 EFBERN Cc1nn(C)c(Nc2ccc(Cl)c(C[S@](C)=O)c2)c1[N+](=O)[O-] ZINC000301283306 311128790 /nfs/dbraw/zinc/12/87/90/311128790.db2.gz KTYRLTWEWIAEKM-QFIPXVFZSA-N 0 0 342.808 2.912 10 5 EFBERN Cc1nn(C)c(N2CCC(Oc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000301295857 311129789 /nfs/dbraw/zinc/12/97/89/311129789.db2.gz PBNRFSQNBGRZDM-UHFFFAOYSA-N 0 0 334.351 2.824 10 5 EFBERN CS[C@H](CO)[C@@H](C)Nc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301359028 311133335 /nfs/dbraw/zinc/13/33/35/311133335.db2.gz LMPBAWRYFQIEAR-BXUZGUMPSA-N 0 0 348.428 2.885 10 5 EFBERN NC(=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301382256 311134758 /nfs/dbraw/zinc/13/47/58/311134758.db2.gz AOGQVTDVZBRJNV-DTWKUNHWSA-N 0 0 329.303 2.652 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000301402102 311135535 /nfs/dbraw/zinc/13/55/35/311135535.db2.gz CTHKGEVQYYLHLZ-ZFWWWQNUSA-N 0 0 344.346 2.976 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301428053 311136747 /nfs/dbraw/zinc/13/67/47/311136747.db2.gz FEUVDOQZNGKWQD-VIFPVBQESA-N 0 0 333.348 2.896 10 5 EFBERN Cc1cc(N2CCCC[C@@H]2c2nnc3n2CCCC3)ncc1[N+](=O)[O-] ZINC000301457335 311138337 /nfs/dbraw/zinc/13/83/37/311138337.db2.gz XDWISIVYCZHORC-CYBMUJFWSA-N 0 0 342.403 2.958 10 5 EFBERN CC[C@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000301462422 311138589 /nfs/dbraw/zinc/13/85/89/311138589.db2.gz JLEJDHLSWHMHCC-ZDUSSCGKSA-N 0 0 345.403 2.868 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCOCC3)C2)cc1C(F)(F)F ZINC000301461327 311138611 /nfs/dbraw/zinc/13/86/11/311138611.db2.gz DSSHVTZLCBJGTQ-GFCCVEGCSA-N 0 0 345.321 2.525 10 5 EFBERN CCOc1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000301592978 311146575 /nfs/dbraw/zinc/14/65/75/311146575.db2.gz RAYLMMDBOBBAKW-CQSZACIVSA-N 0 0 345.403 2.808 10 5 EFBERN CCc1cnc(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000301611192 311147605 /nfs/dbraw/zinc/14/76/05/311147605.db2.gz DLOJGWYFBQOQPF-UHFFFAOYSA-N 0 0 348.384 2.599 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@@H]2CCCO2)cc1Cl ZINC000301642577 311149429 /nfs/dbraw/zinc/14/94/29/311149429.db2.gz BSFHNHMRHPTJQV-VIFPVBQESA-N 0 0 328.752 2.650 10 5 EFBERN COC(=O)N1CC[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000301667357 311151059 /nfs/dbraw/zinc/15/10/59/311151059.db2.gz MFDJCGSRAGFCPE-VIFPVBQESA-N 0 0 344.165 2.610 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3c(F)cccc3F)cc2N1 ZINC000301668046 311151218 /nfs/dbraw/zinc/15/12/18/311151218.db2.gz DBXWSOZZSFFPOF-UHFFFAOYSA-N 0 0 349.293 2.859 10 5 EFBERN COc1cc(C)ccc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301671291 311151409 /nfs/dbraw/zinc/15/14/09/311151409.db2.gz OKJZJFRJPCTUEO-UHFFFAOYSA-N 0 0 343.339 2.855 10 5 EFBERN COCCC1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCC1 ZINC000301689150 311152425 /nfs/dbraw/zinc/15/24/25/311152425.db2.gz WRZDMMIFRIICRK-UHFFFAOYSA-N 0 0 349.387 2.935 10 5 EFBERN O=c1c([N+](=O)[O-])c(N[C@@H]2CCOC3(CCCC3)C2)nc2ccccn21 ZINC000301693066 311152772 /nfs/dbraw/zinc/15/27/72/311152772.db2.gz LJIGPVDYDGZBNV-GFCCVEGCSA-N 0 0 344.371 2.506 10 5 EFBERN CO[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccccc1 ZINC000301706960 311153622 /nfs/dbraw/zinc/15/36/22/311153622.db2.gz VWSBUJBGULOPDI-INIZCTEOSA-N 0 0 343.339 2.725 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCOc3cccc(F)c3)cc2N1 ZINC000301712433 311154089 /nfs/dbraw/zinc/15/40/89/311154089.db2.gz YHQLMQGEOWLZQJ-UHFFFAOYSA-N 0 0 347.302 2.556 10 5 EFBERN COC(=O)c1cc(NCCc2c(C)nn(C)c2C)cc(C)c1[N+](=O)[O-] ZINC000301714668 311154298 /nfs/dbraw/zinc/15/42/98/311154298.db2.gz ZMFBDNGYCVMPRG-UHFFFAOYSA-N 0 0 346.387 2.695 10 5 EFBERN Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301753871 311156746 /nfs/dbraw/zinc/15/67/46/311156746.db2.gz CCOGPUFCLYUQOC-DZGCQCFKSA-N 0 0 342.399 2.957 10 5 EFBERN O=C1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCN1CC1CCCC1 ZINC000301803902 311159283 /nfs/dbraw/zinc/15/92/83/311159283.db2.gz DIKJNOITERZDFH-UHFFFAOYSA-N 0 0 339.342 2.712 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000301826950 311161105 /nfs/dbraw/zinc/16/11/05/311161105.db2.gz FKWPLJMELQKPKL-ZDUSSCGKSA-N 0 0 326.356 2.625 10 5 EFBERN CO[C@@H]1CC[C@@H]2OCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000301848073 311162278 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O=[N+]([O-])c1cnc2ccc(N3CCC(OCC4CCCC4)CC3)nn21 ZINC000301921393 311166989 /nfs/dbraw/zinc/16/69/89/311166989.db2.gz FTBWGTLQBTYMRP-UHFFFAOYSA-N 0 0 345.403 2.813 10 5 EFBERN COc1ccc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1F ZINC000301924299 311167066 /nfs/dbraw/zinc/16/70/66/311167066.db2.gz MDKYVOGCZBMZRB-SECBINFHSA-N 0 0 331.307 2.958 10 5 EFBERN Cc1csc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000301926005 311167292 /nfs/dbraw/zinc/16/72/92/311167292.db2.gz HHGSQACPTFICNC-ZETCQYMHSA-N 0 0 347.443 2.998 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@H](O)c3ccc4ccccc4c3)nn21 ZINC000301955145 311168418 /nfs/dbraw/zinc/16/84/18/311168418.db2.gz DYLXGTHBYRBGFC-HNNXBMFYSA-N 0 0 349.350 2.936 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC3CCN(c4ccccc4)CC3)nn21 ZINC000301959539 311168874 /nfs/dbraw/zinc/16/88/74/311168874.db2.gz HCMFIKWYXPHRAG-UHFFFAOYSA-N 0 0 338.371 2.718 10 5 EFBERN CNC(=O)c1ccc(Nc2cccc(CCCO)c2)c([N+](=O)[O-])c1 ZINC000302033356 311173618 /nfs/dbraw/zinc/17/36/18/311173618.db2.gz DCOTXMUBNPWASY-UHFFFAOYSA-N 0 0 329.356 2.623 10 5 EFBERN CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C(C)(C)O1 ZINC000302061553 311175623 /nfs/dbraw/zinc/17/56/23/311175623.db2.gz RIJQUGYTIFRTFL-ZDUSSCGKSA-N 0 0 342.417 2.756 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000302067868 311176084 /nfs/dbraw/zinc/17/60/84/311176084.db2.gz UTRLSWWHRBOCKC-GFCCVEGCSA-N 0 0 348.790 2.826 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302071988 311176467 /nfs/dbraw/zinc/17/64/67/311176467.db2.gz WARZTWRLYSFLPJ-GFCCVEGCSA-N 0 0 337.376 2.508 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000302072940 311176509 /nfs/dbraw/zinc/17/65/09/311176509.db2.gz FTPYRVLXDDFDHX-UHFFFAOYSA-N 0 0 331.284 2.902 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)c2ccccc2C)c1 ZINC000302099720 311177757 /nfs/dbraw/zinc/17/77/57/311177757.db2.gz PKOKSVWWDYRMIW-MRXNPFEDSA-N 0 0 330.340 2.835 10 5 EFBERN CC1(C)CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302117707 311178699 /nfs/dbraw/zinc/17/86/99/311178699.db2.gz DODACARVWGSLPZ-UHFFFAOYSA-N 0 0 327.406 2.623 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(-n3cncn3)c2)c1 ZINC000302130397 311179105 /nfs/dbraw/zinc/17/91/05/311179105.db2.gz BTBHOUSYHSTHLE-UHFFFAOYSA-N 0 0 340.295 2.754 10 5 EFBERN CC1=CCN(CCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000302134683 311179382 /nfs/dbraw/zinc/17/93/82/311179382.db2.gz DCRCITFHXZZUTR-UHFFFAOYSA-N 0 0 341.209 2.816 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000302137341 311179744 /nfs/dbraw/zinc/17/97/44/311179744.db2.gz NGBHLKIVDCPKIS-JTQLQIEISA-N 0 0 339.760 2.584 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1N1C[C@H]2CCC[C@]2(C(=O)OC)C1 ZINC000302136022 311179792 /nfs/dbraw/zinc/17/97/92/311179792.db2.gz DEKUASVZYHNZQP-DYVFJYSZSA-N 0 0 334.372 2.521 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCc3cccc(Br)c3C2)nc1 ZINC000302150882 311180656 /nfs/dbraw/zinc/18/06/56/311180656.db2.gz KJSCNPYPTMMEJT-UHFFFAOYSA-N 0 0 335.161 2.710 10 5 EFBERN Cn1nccc1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302155586 311181284 /nfs/dbraw/zinc/18/12/84/311181284.db2.gz DPZVCNSFXFVAMO-UHFFFAOYSA-N 0 0 339.355 2.914 10 5 EFBERN COC(=O)c1cc(N2CCc3c(cccc3OC)C2)ccc1[N+](=O)[O-] ZINC000302160578 311181482 /nfs/dbraw/zinc/18/14/82/311181482.db2.gz JSLSLBFQERTXDK-UHFFFAOYSA-N 0 0 342.351 2.953 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302184487 311183067 /nfs/dbraw/zinc/18/30/67/311183067.db2.gz SOJIZJOOEZJRGL-UHFFFAOYSA-N 0 0 329.360 2.943 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000302183357 311183120 /nfs/dbraw/zinc/18/31/20/311183120.db2.gz SNYFMBZEAZOYCO-UHFFFAOYSA-N 0 0 347.806 2.669 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2csc(N(C)C)n2)c1 ZINC000302186812 311183257 /nfs/dbraw/zinc/18/32/57/311183257.db2.gz PSBAFLSDSIIXMG-UHFFFAOYSA-N 0 0 336.373 2.516 10 5 EFBERN O=C1[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCCN1c1cccnc1 ZINC000302192138 311183574 /nfs/dbraw/zinc/18/35/74/311183574.db2.gz WBIUWOZMLBTNKN-AWEZNQCLSA-N 0 0 348.309 2.876 10 5 EFBERN Cc1ccc(N[C@H]2CCCN(c3cccnc3)C2=O)c([N+](=O)[O-])c1 ZINC000302192699 311183728 /nfs/dbraw/zinc/18/37/28/311183728.db2.gz WBSAHNOETWZDJY-HNNXBMFYSA-N 0 0 326.356 2.906 10 5 EFBERN CCOc1cc(N2C[C@@H]3CCC[C@]3(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000302197362 311183971 /nfs/dbraw/zinc/18/39/71/311183971.db2.gz TUWYQCVXGZTNHY-SJCJKPOMSA-N 0 0 334.372 2.773 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000302434225 311189935 /nfs/dbraw/zinc/18/99/35/311189935.db2.gz PGNILUMICRVZQP-UHFFFAOYSA-N 0 0 327.388 2.830 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c(F)c1 ZINC000302487786 311191233 /nfs/dbraw/zinc/19/12/33/311191233.db2.gz YVBBHFCLSHUJPG-UHFFFAOYSA-N 0 0 331.351 2.661 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CCCO3)CC2)c1 ZINC000302541238 311192891 /nfs/dbraw/zinc/19/28/91/311192891.db2.gz HQBJFRQVGFNJRT-INIZCTEOSA-N 0 0 334.372 2.777 10 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/nfs/dbraw/zinc/19/81/78/311198178.db2.gz NSDODCOOWRZLSF-UHFFFAOYSA-N 0 0 347.396 2.732 10 5 EFBERN NS(=O)(=O)c1cccc(NCc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC000302742929 311198909 /nfs/dbraw/zinc/19/89/09/311198909.db2.gz ZSSGNYAVOJBWPY-UHFFFAOYSA-N 0 0 347.396 2.732 10 5 EFBERN CCO[C@H]1C[C@@](O)(CNc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000302744357 311199147 /nfs/dbraw/zinc/19/91/47/311199147.db2.gz FABOZJBTSXJVCJ-GOEBONIOSA-N 0 0 342.367 2.721 10 5 EFBERN CCOc1cc(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000302754208 311199655 /nfs/dbraw/zinc/19/96/55/311199655.db2.gz IDZILZKROBKBFG-DETPVDSQSA-N 0 0 334.372 2.771 10 5 EFBERN NC(=O)c1[nH]nc2ccc(Nc3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000302773137 311200211 /nfs/dbraw/zinc/20/02/11/311200211.db2.gz NQKZZYMOICXARN-UHFFFAOYSA-N 0 0 331.719 2.967 10 5 EFBERN O=C(Cc1ccccc1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302816875 311202663 /nfs/dbraw/zinc/20/26/63/311202663.db2.gz MAXBINUKMPELHO-UHFFFAOYSA-N 0 0 343.358 2.625 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000302816812 311202678 /nfs/dbraw/zinc/20/26/78/311202678.db2.gz INRNBMWDYMSTAV-DOMZBBRYSA-N 0 0 339.823 2.714 10 5 EFBERN Cc1nnc([C@@H]2CN(c3c(C)cc([N+](=O)[O-])cc3Cl)CCO2)[nH]1 ZINC000302834707 311203832 /nfs/dbraw/zinc/20/38/32/311203832.db2.gz UHAJVOWFBYDFQT-LBPRGKRZSA-N 0 0 337.767 2.561 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCN(C[C@@H](O)COCc1cccs1)C2 ZINC000305445420 311223140 /nfs/dbraw/zinc/22/31/40/311223140.db2.gz PBACWKOYHVSMPB-CQSZACIVSA-N 0 0 348.424 2.592 10 5 EFBERN CN1CC[C@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000330513508 311320230 /nfs/dbraw/zinc/32/02/30/311320230.db2.gz CHJPKZVQWLDXNU-NSHDSACASA-N 0 0 333.388 2.699 10 5 EFBERN CC(C)(C)c1ccc(NS(=O)(=O)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000330525288 311320648 /nfs/dbraw/zinc/32/06/48/311320648.db2.gz PYZFASHVKAXMDR-GFCCVEGCSA-N 0 0 342.417 2.813 10 5 EFBERN CCN(CC)C(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000330589693 311323419 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311772947 /nfs/dbraw/zinc/77/29/47/311772947.db2.gz FPVRYUIUBZHCER-XGACYXMMSA-N 0 0 346.387 2.592 10 5 EFBERN COc1ccc(CCCNc2ccc([N+](=O)[O-])c(C)n2)cc1OC ZINC000349431586 311773829 /nfs/dbraw/zinc/77/38/29/311773829.db2.gz VQQGVVHZRHBOMI-UHFFFAOYSA-N 0 0 331.372 2.782 10 5 EFBERN C[C@H]1C[C@@H](c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)CCO1 ZINC000350121815 311788120 /nfs/dbraw/zinc/78/81/20/311788120.db2.gz PKTZRTYATJVKGK-UWVGGRQHSA-N 0 0 347.327 2.699 10 5 EFBERN C[C@H]1COCC[C@H]1c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000350326189 311794363 /nfs/dbraw/zinc/79/43/63/311794363.db2.gz VZKLTCGYKZLXPH-GXSJLCMTSA-N 0 0 347.327 2.556 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cn(C)nc2C(C)C)no1 ZINC000350492241 311801000 /nfs/dbraw/zinc/80/10/00/311801000.db2.gz BCFQEEHQWPOGOQ-UHFFFAOYSA-N 0 0 328.332 2.872 10 5 EFBERN C[C@H]1COCC[C@@H]1c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000350586524 311810301 /nfs/dbraw/zinc/81/03/01/311810301.db2.gz FIWSFDUNIGHJBJ-WPRPVWTQSA-N 0 0 329.316 2.661 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EFBERN CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432139114 312551560 /nfs/dbraw/zinc/55/15/60/312551560.db2.gz ZJLVCNUUKBPVSY-NHYWBVRUSA-N 0 0 333.388 2.713 10 5 EFBERN CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc([N+](=O)[O-])cc1C ZINC000433029482 312591855 /nfs/dbraw/zinc/59/18/55/312591855.db2.gz BQTCOLQPABXXMO-KRWDZBQOSA-N 0 0 343.383 2.562 10 5 EFBERN COC[C@](C)(NC(=O)Cc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000438925436 312625787 /nfs/dbraw/zinc/62/57/87/312625787.db2.gz KNLBYERDDLZBFC-ZDUSSCGKSA-N 0 0 334.294 2.529 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439282713 312637385 /nfs/dbraw/zinc/63/73/85/312637385.db2.gz ZXHOGCFUAORADU-HUUCEWRRSA-N 0 0 347.415 2.672 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000441251512 312642202 /nfs/dbraw/zinc/64/22/02/312642202.db2.gz CHPIHTROQFMRNP-UHFFFAOYSA-N 0 0 333.348 2.905 10 5 EFBERN C[C@@H]1C[C@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CCO1 ZINC000447291515 312677079 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COC(=O)c1cc(C)nc(NC[C@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000450602599 312718964 /nfs/dbraw/zinc/71/89/64/312718964.db2.gz WYKLSQJRUODMJE-SNVBAGLBSA-N 0 0 343.330 2.744 10 5 EFBERN C[C@@H]1Cc2cccc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)c2O1 ZINC000450631819 312725236 /nfs/dbraw/zinc/72/52/36/312725236.db2.gz HRICHRKWSWEJSK-LLVKDONJSA-N 0 0 339.351 2.512 10 5 EFBERN COC(=O)c1cnc(NC[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450733643 312735067 /nfs/dbraw/zinc/73/50/67/312735067.db2.gz ACPIXTHODWNQTJ-FZMZJTMJSA-N 0 0 337.376 2.640 10 5 EFBERN COC(=O)c1cc(N[C@@H]([C@@H](CO)C2CC2)C2CC2)cc(C)c1[N+](=O)[O-] ZINC000450768673 312742767 /nfs/dbraw/zinc/74/27/67/312742767.db2.gz DARSKCSEHRTIKU-JKSUJKDBSA-N 0 0 348.399 2.899 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000450784528 312746376 /nfs/dbraw/zinc/74/63/76/312746376.db2.gz ZYVAJSDOXYHLRO-XJKSGUPXSA-N 0 0 334.372 2.590 10 5 EFBERN COC(=O)c1cc(C)nc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000450788195 312746893 /nfs/dbraw/zinc/74/68/93/312746893.db2.gz DRDZHRLJBIKJLT-KBPBESRZSA-N 0 0 331.372 2.710 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(O[C@H]3CC(=O)N3)cc2)n1 ZINC000450828506 312753670 /nfs/dbraw/zinc/75/36/70/312753670.db2.gz KQHKBABBTGYWPI-AWEZNQCLSA-N 0 0 328.328 2.575 10 5 EFBERN CCc1ncc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)o1 ZINC000450850226 312758374 /nfs/dbraw/zinc/75/83/74/312758374.db2.gz WSAUIXMJKABKLF-UHFFFAOYSA-N 0 0 344.371 2.993 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1n1cccn1 ZINC000450872174 312763622 /nfs/dbraw/zinc/76/36/22/312763622.db2.gz RRYRHJBZJOVZRV-GUTXKFCHSA-N 0 0 331.376 2.796 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000450873170 312763915 /nfs/dbraw/zinc/76/39/15/312763915.db2.gz CTZFVECSGBHQKZ-YMTOWFKASA-N 0 0 341.289 2.893 10 5 EFBERN CC(=O)c1cc(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000450880044 312765505 /nfs/dbraw/zinc/76/55/05/312765505.db2.gz KUTRPIDAJSFWMA-NOZJJQNGSA-N 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ZINC000456090004 313024670 /nfs/dbraw/zinc/02/46/70/313024670.db2.gz GKSRQJXDFXBFFW-NPSOMJIGSA-N 0 0 327.384 2.677 10 5 EFBERN COc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000456096501 313026066 /nfs/dbraw/zinc/02/60/66/313026066.db2.gz IBTJOGIKTCZXLW-BJJXKVORSA-N 0 0 348.399 2.759 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456097887 313026586 /nfs/dbraw/zinc/02/65/86/313026586.db2.gz JDOALQCOCIGKHL-IMJJTQAJSA-N 0 0 348.399 2.759 10 5 EFBERN CNc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000456105897 313029121 /nfs/dbraw/zinc/02/91/21/313029121.db2.gz MVMSLEJFRYRLOV-BJJXKVORSA-N 0 0 347.415 2.792 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(CC)(c3ccccc3)C2)n1 ZINC000458215549 313084810 /nfs/dbraw/zinc/08/48/10/313084810.db2.gz LXPOPGSEURTNHL-UHFFFAOYSA-N 0 0 328.372 2.615 10 5 EFBERN O=C(NC1(C2CCC2)CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000458246143 313093851 /nfs/dbraw/zinc/09/38/51/313093851.db2.gz YYKJHRBIKIAKFJ-UHFFFAOYSA-N 0 0 341.371 2.628 10 5 EFBERN CCOC(=O)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000470864906 313135903 /nfs/dbraw/zinc/13/59/03/313135903.db2.gz DAYANZKNTKYHJU-HNNXBMFYSA-N 0 0 343.383 2.554 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](OC)C2)cc1SC ZINC000471684373 313150008 /nfs/dbraw/zinc/15/00/08/313150008.db2.gz FXMVFHHKMGEIBK-NXEZZACHSA-N 0 0 340.401 2.623 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000474384567 313208095 /nfs/dbraw/zinc/20/80/95/313208095.db2.gz PIKPBGHJNZDKSF-WZRBSPASSA-N 0 0 326.418 2.958 10 5 EFBERN COc1cccc(C[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000475906173 313227597 /nfs/dbraw/zinc/22/75/97/313227597.db2.gz BOAZOVRSNKCYBR-LBPRGKRZSA-N 0 0 344.367 2.973 10 5 EFBERN CCOC(=O)c1ccnc(NC/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000477090845 313239901 /nfs/dbraw/zinc/23/99/01/313239901.db2.gz NGJPQGDFZWXKGA-RMKNXTFCSA-N 0 0 327.340 2.714 10 5 EFBERN CC[C@H]1CC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000479584171 313271355 /nfs/dbraw/zinc/27/13/55/313271355.db2.gz CSICRBJMJXPQST-CTYIDZIISA-N 0 0 347.415 2.718 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC/C=C\c1ccccc1 ZINC000479975597 313277634 /nfs/dbraw/zinc/27/76/34/313277634.db2.gz BTHZHBQDFONWTA-YVMONPNESA-N 0 0 332.381 2.895 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC/C=C\c1ccccc1 ZINC000479924821 313277861 /nfs/dbraw/zinc/27/78/61/313277861.db2.gz NRIBCXCHZYEQBG-TWGQIWQCSA-N 0 0 332.381 2.895 10 5 EFBERN Cc1c(CNC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000480064174 313278970 /nfs/dbraw/zinc/27/89/70/313278970.db2.gz UZYCTQWSJPNSDH-CVEARBPZSA-N 0 0 347.415 2.861 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000486856151 313344380 /nfs/dbraw/zinc/34/43/80/313344380.db2.gz OUHVTIIXNCEODD-IWIIMEHWSA-N 0 0 330.793 2.633 10 5 EFBERN CN(C1(C)CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000486931752 313348460 /nfs/dbraw/zinc/34/84/60/313348460.db2.gz BQDOYGVZTQIQHM-UHFFFAOYSA-N 0 0 326.418 2.732 10 5 EFBERN CCc1cccc(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000486995345 313356281 /nfs/dbraw/zinc/35/62/81/313356281.db2.gz GTEJUIPIGMYMHM-UHFFFAOYSA-N 0 0 342.399 2.760 10 5 EFBERN CCO[C@H]1C[C@@](O)(CNc2c3ccccc3ncc2[N+](=O)[O-])C1(C)C ZINC000487738475 313423793 /nfs/dbraw/zinc/42/37/93/313423793.db2.gz GRIKPWVSGIXNHS-MAUKXSAKSA-N 0 0 345.399 2.543 10 5 EFBERN O=C1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000487739968 313423800 /nfs/dbraw/zinc/42/38/00/313423800.db2.gz NKDHZYGBJQUCDZ-UHFFFAOYSA-N 0 0 348.362 2.996 10 5 EFBERN CS(=O)(=O)[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487760535 313425466 /nfs/dbraw/zinc/42/54/66/313425466.db2.gz MCFCAZBYUQGOOM-LBPRGKRZSA-N 0 0 349.412 2.547 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)[C@H]1Cc2ccccc21 ZINC000487892991 313436216 /nfs/dbraw/zinc/43/62/16/313436216.db2.gz YNYAGNJLVJVXNZ-HNNXBMFYSA-N 0 0 334.331 2.819 10 5 EFBERN 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PIPAOBOANLTWBL-UHFFFAOYSA-N 0 0 333.319 2.541 10 5 EFBERN O=C1NCCC[C@H]1Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000489627218 313595030 /nfs/dbraw/zinc/59/50/30/313595030.db2.gz SHXQGQVCSYVPBT-SNVBAGLBSA-N 0 0 331.191 2.728 10 5 EFBERN COc1c(F)cc(S(=O)(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000491123746 313708026 /nfs/dbraw/zinc/70/80/26/313708026.db2.gz OLUKXFWUNIZSLW-UHFFFAOYSA-N 0 0 346.380 2.601 10 5 EFBERN CCOc1cc(CN2CCC[C@H]2C(=O)N(CC)CC)ccc1[N+](=O)[O-] ZINC000492464077 314000141 /nfs/dbraw/zinc/00/01/41/314000141.db2.gz SITHQLFDDLUHHJ-INIZCTEOSA-N 0 0 349.431 2.826 10 5 EFBERN COc1cc(CN[C@@H](CO)c2sccc2C)c([N+](=O)[O-])cc1F ZINC000494624326 314614520 /nfs/dbraw/zinc/61/45/20/314614520.db2.gz GMXYSCLYFSYXMK-LBPRGKRZSA-N 0 0 340.376 2.936 10 5 EFBERN CCOC[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494716936 314628306 /nfs/dbraw/zinc/62/83/06/314628306.db2.gz AAWFVVYNNRHAGZ-JTQLQIEISA-N 0 0 335.385 2.873 10 5 EFBERN C[C@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000495525577 314743216 /nfs/dbraw/zinc/74/32/16/314743216.db2.gz NKJTXEYLCZVTRJ-SMDDNHRTSA-N 0 0 349.387 2.781 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C(F)F ZINC000507305107 315481670 /nfs/dbraw/zinc/48/16/70/315481670.db2.gz NLNQFBIDIATIBJ-CYBMUJFWSA-N 0 0 327.331 2.967 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2cc(OC)cc(OC)c2)c1[N+](=O)[O-] ZINC000516267643 315667891 /nfs/dbraw/zinc/66/78/91/315667891.db2.gz JNKDSEPCFHHQBQ-UHFFFAOYSA-N 0 0 347.327 2.846 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)C[C@@H](O)COCc1ccccc1 ZINC000516981319 315726826 /nfs/dbraw/zinc/72/68/26/315726826.db2.gz LWTHMUWITUIBBC-OAHLLOKOSA-N 0 0 346.383 2.617 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000517036369 315733821 /nfs/dbraw/zinc/73/38/21/315733821.db2.gz FHILZMVGNOYDLE-MEDUHNTESA-N 0 0 346.387 2.512 10 5 EFBERN COc1c(C)cc(CN(C)C(=O)c2cc([N+](=O)[O-])cn2C)cc1C ZINC000522282018 316086642 /nfs/dbraw/zinc/08/66/42/316086642.db2.gz DQEHBIILVZOEEW-UHFFFAOYSA-N 0 0 331.372 2.831 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1ccn(Cc2ccccc2)[nH]1 ZINC000523414416 316121657 /nfs/dbraw/zinc/12/16/57/316121657.db2.gz QXPJAMGCHUJXRT-UHFFFAOYSA-N 0 0 336.351 2.822 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2)CCOCC1 ZINC000524161524 316149115 /nfs/dbraw/zinc/14/91/15/316149115.db2.gz VOYVTVYUFDZNKB-UHFFFAOYSA-N 0 0 341.367 2.734 10 5 EFBERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186673 316194491 /nfs/dbraw/zinc/19/44/91/316194491.db2.gz HWQWWFYXRNDHGP-FRRDWIJNSA-N 0 0 341.433 2.729 10 5 EFBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000525688736 316226804 /nfs/dbraw/zinc/22/68/04/316226804.db2.gz MJAGRJVHHJZLSX-OAHLLOKOSA-N 0 0 337.401 2.501 10 5 EFBERN Cc1nccc(NC(=O)c2ccccc2[N+](=O)[O-])c1Br ZINC000526099546 316292191 /nfs/dbraw/zinc/29/21/91/316292191.db2.gz DPKIBULTXMIJTF-UHFFFAOYSA-N 0 0 336.145 2.735 10 5 EFBERN CNc1ccc(C(=O)N[C@H](C)c2ccncc2OC)cc1[N+](=O)[O-] ZINC000526121654 316296823 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Cc1c(NC(=O)N2CCO[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000571400998 319570436 /nfs/dbraw/zinc/57/04/36/319570436.db2.gz JZOHAQOACSWBFO-HNNXBMFYSA-N 0 0 337.401 2.643 10 5 EFBERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000571587150 319588398 /nfs/dbraw/zinc/58/83/98/319588398.db2.gz MGBFBWJTBWANMR-PRXAMGSTSA-N 0 0 341.367 2.921 10 5 EFBERN COC(=O)[C@@H]1CC12CCN(c1nc3c(cc1[N+](=O)[O-])CCCC3)CC2 ZINC000571674135 319597288 /nfs/dbraw/zinc/59/72/88/319597288.db2.gz NEQLSAMYNYTMDY-ZDUSSCGKSA-N 0 0 345.399 2.648 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC(N2CCCCC2=O)CC1 ZINC000571895591 319617882 /nfs/dbraw/zinc/61/78/82/319617882.db2.gz UALULZLIBXPWOV-UHFFFAOYSA-N 0 0 333.388 2.585 10 5 EFBERN CCC[C@@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)OC ZINC000571992972 319626181 /nfs/dbraw/zinc/62/61/81/319626181.db2.gz ZOAAOKQVUOLXLT-AWEZNQCLSA-N 0 0 348.403 2.733 10 5 EFBERN O=[N+]([O-])c1ccc2ccnc(N3CCO[C@]4(CCSC4)C3)c2c1 ZINC000573241504 319747506 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CCc1ccc(C(=O)N2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000576586027 320030065 /nfs/dbraw/zinc/03/00/65/320030065.db2.gz LCUWFNQMSJKDAQ-MRXNPFEDSA-N 0 0 336.413 2.505 10 5 EFBERN O=C(NCCOCC1CCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000577034586 320070741 /nfs/dbraw/zinc/07/07/41/320070741.db2.gz LQJXBDBYQWRQFI-UHFFFAOYSA-N 0 0 329.356 2.690 10 5 EFBERN Cc1ccnc([C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000577231271 320091067 /nfs/dbraw/zinc/09/10/67/320091067.db2.gz IEJFHZRBCGKDFJ-HNNXBMFYSA-N 0 0 325.368 2.857 10 5 EFBERN CC(C)Cc1noc(Cn2ccc3cc([N+](=O)[O-])ccc3c2=O)n1 ZINC000577396592 320107291 /nfs/dbraw/zinc/10/72/91/320107291.db2.gz ZSSBCKZVPOGZAR-UHFFFAOYSA-N 0 0 328.328 2.540 10 5 EFBERN O=[N+]([O-])c1cnc(NCCOCC2CCC2)c(Br)c1 ZINC000577569852 320121509 /nfs/dbraw/zinc/12/15/09/320121509.db2.gz DZRJTZBWWDMZNX-UHFFFAOYSA-N 0 0 330.182 2.981 10 5 EFBERN CCc1ccc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])cc1CC ZINC000577647517 320131176 /nfs/dbraw/zinc/13/11/76/320131176.db2.gz QWHPNWHQTMZBGG-UHFFFAOYSA-N 0 0 328.372 2.831 10 5 EFBERN CC1(C)CN(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000577745300 320140990 /nfs/dbraw/zinc/14/09/90/320140990.db2.gz GFXAOHMSCIFNMS-OAHLLOKOSA-N 0 0 331.416 2.643 10 5 EFBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577835668 320148792 /nfs/dbraw/zinc/14/87/92/320148792.db2.gz MBCDXDGUUDIOSZ-WFASDCNBSA-N 0 0 336.388 2.744 10 5 EFBERN CC(C)(C)OCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000578083354 320172233 /nfs/dbraw/zinc/17/22/33/320172233.db2.gz VTTHDMGUPUNNRP-UHFFFAOYSA-N 0 0 341.383 2.798 10 5 EFBERN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000578171789 320180377 /nfs/dbraw/zinc/18/03/77/320180377.db2.gz IJDIXGCMANIPQD-MRVPVSSYSA-N 0 0 329.278 2.933 10 5 EFBERN O=C(NCCc1ccco1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578359484 320199139 /nfs/dbraw/zinc/19/91/39/320199139.db2.gz ZSIDOZJUEJZWJN-UHFFFAOYSA-N 0 0 342.355 2.754 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCC(=O)N1CCCc2ccccc21 ZINC000578453098 320207951 /nfs/dbraw/zinc/20/79/51/320207951.db2.gz GHVGPQQRWQSZOB-UHFFFAOYSA-N 0 0 341.367 2.995 10 5 EFBERN CSC[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183670651 533705047 /nfs/dbraw/zinc/70/50/47/533705047.db2.gz BHFOWYNTWRBTBZ-MRVPVSSYSA-N 0 0 338.838 2.586 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)CO ZINC000181623715 323241962 /nfs/dbraw/zinc/24/19/62/323241962.db2.gz NNFWSYUMXSNQNX-MNOVXSKESA-N 0 0 326.418 2.842 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182675435 323295316 /nfs/dbraw/zinc/29/53/16/323295316.db2.gz PVYOFYWJMDLIDR-UHFFFAOYSA-N 0 0 345.359 2.952 10 5 EFBERN C[C@H](C(=O)NC[C@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183096095 323316560 /nfs/dbraw/zinc/31/65/60/323316560.db2.gz KSAPULSYHWZDQG-GXTWGEPZSA-N 0 0 346.358 2.730 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000185532942 323392237 /nfs/dbraw/zinc/39/22/37/323392237.db2.gz MQEUFWSXPDISAE-MWLCHTKSSA-N 0 0 334.351 2.616 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC(C)(C)O2)c1 ZINC000187401727 323421603 /nfs/dbraw/zinc/42/16/03/323421603.db2.gz IXEBLZZRVFNDQP-CYBMUJFWSA-N 0 0 336.388 2.746 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ncccc1C ZINC000296711145 323589625 /nfs/dbraw/zinc/58/96/25/323589625.db2.gz IRSVJQQPHGEXMY-UHFFFAOYSA-N 0 0 330.344 2.671 10 5 EFBERN Cc1noc([C@@H](C)N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000578905333 323840316 /nfs/dbraw/zinc/84/03/16/323840316.db2.gz BUEPHOKBHZPMQK-MRVPVSSYSA-N 0 0 329.316 2.601 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCC(=O)N1CCc2ccccc2C1 ZINC000579494190 323972753 /nfs/dbraw/zinc/97/27/53/323972753.db2.gz GNDORAUKCZWVCG-UHFFFAOYSA-N 0 0 341.367 2.600 10 5 EFBERN CCC[C@H](C)[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000580080714 324094166 /nfs/dbraw/zinc/09/41/66/324094166.db2.gz OLVBHOHBBRZJPF-FZMZJTMJSA-N 0 0 339.392 2.912 10 5 EFBERN CCOC(=O)C1CCC(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000580198590 324118845 /nfs/dbraw/zinc/11/88/45/324118845.db2.gz JMMFTIQNQNTJDS-UHFFFAOYSA-N 0 0 348.399 2.971 10 5 EFBERN Cn1c(C(=O)N2CCc3sc(Cl)cc3C2)ccc1[N+](=O)[O-] ZINC000580199097 324119101 /nfs/dbraw/zinc/11/91/01/324119101.db2.gz ZRGICBLFEAZTAL-UHFFFAOYSA-N 0 0 325.777 2.847 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CCC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000580321556 324142020 /nfs/dbraw/zinc/14/20/20/324142020.db2.gz OUWCXXXUCIBSFD-AWEZNQCLSA-N 0 0 330.381 2.670 10 5 EFBERN C[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580836555 324248739 /nfs/dbraw/zinc/24/87/39/324248739.db2.gz DUNSCARUXJPPPF-NSHDSACASA-N 0 0 334.372 2.894 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000581297009 324345064 /nfs/dbraw/zinc/34/50/64/324345064.db2.gz NBJPTXGLQRMVDH-FUHWJXTLSA-N 0 0 344.342 2.975 10 5 EFBERN C[C@H]1CCN(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000581379473 324365510 /nfs/dbraw/zinc/36/55/10/324365510.db2.gz ODZAZBAAVDFEOM-VIFPVBQESA-N 0 0 342.193 2.638 10 5 EFBERN CC(C)(C)CC[C@H]1NC(=O)N(CCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000581584941 324410167 /nfs/dbraw/zinc/41/01/67/324410167.db2.gz JMNKZOKBUCFDBS-CQSZACIVSA-N 0 0 349.387 2.720 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@]2(CCSC2)C1 ZINC000582547375 324618315 /nfs/dbraw/zinc/61/83/15/324618315.db2.gz CUOKTQZBQIKCGD-AWEZNQCLSA-N 0 0 342.804 2.596 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1ncsc1Br ZINC000582687514 324649121 /nfs/dbraw/zinc/64/91/21/324649121.db2.gz FOUGFBUFYUBWEA-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN CCC[C@H](C)[C@H](CO)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000583268649 324776564 /nfs/dbraw/zinc/77/65/64/324776564.db2.gz UPJLADJWZKGBRL-GWCFXTLKSA-N 0 0 326.418 2.844 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000583758627 324867260 /nfs/dbraw/zinc/86/72/60/324867260.db2.gz QDTSXUJUUKONGZ-ZYHUDNBSSA-N 0 0 326.418 2.844 10 5 EFBERN O=C(COCC1CCCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583978266 324905667 /nfs/dbraw/zinc/90/56/67/324905667.db2.gz WDWABGXHDBCQSR-UHFFFAOYSA-N 0 0 345.399 2.942 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000584000288 324911432 /nfs/dbraw/zinc/91/14/32/324911432.db2.gz XFHNPPKSULLZKB-SMDDNHRTSA-N 0 0 331.372 2.670 10 5 EFBERN COc1cc(C(=O)N[C@H]2CCc3cc(N)ccc32)cc([N+](=O)[O-])c1C ZINC000584005768 324912893 /nfs/dbraw/zinc/91/28/93/324912893.db2.gz JFLJFGTYCWWXSZ-HNNXBMFYSA-N 0 0 341.367 2.911 10 5 EFBERN CC[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000487633619 447835436 /nfs/dbraw/zinc/83/54/36/447835436.db2.gz CVLHYCGMMJAQPD-LBPRGKRZSA-N 0 0 328.332 2.540 10 5 EFBERN Cn1ccnc1[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000535759556 448503525 /nfs/dbraw/zinc/50/35/25/448503525.db2.gz GNMZCMQUASLFCU-MRXNPFEDSA-N 0 0 349.354 2.573 10 5 EFBERN CCOC(=O)c1coc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000521412258 468312223 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CCc1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000111362998 473210016 /nfs/dbraw/zinc/21/00/16/473210016.db2.gz DZGMFEQNGZELRE-SSDOTTSWSA-N 0 0 347.443 2.715 10 5 EFBERN C[C@H]1Cc2ccccc2[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111368191 473210998 /nfs/dbraw/zinc/21/09/98/473210998.db2.gz KQWUKKIJWJCSJC-MEDUHNTESA-N 0 0 332.381 2.807 10 5 EFBERN CCCc1n[nH]c(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000111647024 473221121 /nfs/dbraw/zinc/22/11/21/473221121.db2.gz MCJPTHDGWPBFAN-OLZOCXBDSA-N 0 0 328.372 2.804 10 5 EFBERN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000095939980 473226077 /nfs/dbraw/zinc/22/60/77/473226077.db2.gz QQJAXRDATQDTNE-LLVKDONJSA-N 0 0 340.426 2.879 10 5 EFBERN NC(=O)c1ccc(CN2CC[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000081626752 473233948 /nfs/dbraw/zinc/23/39/48/473233948.db2.gz TXHSHCIBYRCRCG-HNNXBMFYSA-N 0 0 329.331 2.780 10 5 EFBERN CS(=O)(=O)c1cc(N2CC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000124321289 473231933 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O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCCOC1 ZINC000095991456 473247529 /nfs/dbraw/zinc/24/75/29/473247529.db2.gz KTNGDFJVYFVXCO-QMMMGPOBSA-N 0 0 329.150 2.722 10 5 EFBERN O=C(NC[C@H]1Cc2ccccc2O1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000161655485 473250670 /nfs/dbraw/zinc/25/06/70/473250670.db2.gz BCZNCFDNIBDSPN-CYBMUJFWSA-N 0 0 337.335 2.810 10 5 EFBERN C[C@@H](C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000526959235 467651432 /nfs/dbraw/zinc/65/14/32/467651432.db2.gz BUMNWTMMDSYFHZ-YGRLFVJLSA-N 0 0 330.344 2.912 10 5 EFBERN CC[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000096010751 473255053 /nfs/dbraw/zinc/25/50/53/473255053.db2.gz GLKOUNHBXCKBRU-QMMMGPOBSA-N 0 0 346.181 2.558 10 5 EFBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C12CCCC2 ZINC000176854908 473256129 /nfs/dbraw/zinc/25/61/29/473256129.db2.gz ILPGUTZPAVIUIX-LSDHHAIUSA-N 0 0 347.415 2.987 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000184878337 473260625 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Cc1nn(CC(=O)Nc2nc3ccc(C)cc3s2)cc1[N+](=O)[O-] ZINC000143208183 473273616 /nfs/dbraw/zinc/27/36/16/473273616.db2.gz PGZJBUBFUGMPBX-UHFFFAOYSA-N 0 0 331.357 2.657 10 5 EFBERN CC(C)c1ccc([C@H](C)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000176993564 473283192 /nfs/dbraw/zinc/28/31/92/473283192.db2.gz PTGBZEXGVSNCKA-ZDUSSCGKSA-N 0 0 343.383 2.757 10 5 EFBERN CCN(CCc1nccs1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000161950446 473285573 /nfs/dbraw/zinc/28/55/73/473285573.db2.gz ILTWICRQBQZFAL-UHFFFAOYSA-N 0 0 334.401 2.826 10 5 EFBERN CCOC(=O)COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000144853926 473288690 /nfs/dbraw/zinc/28/86/90/473288690.db2.gz OUQZGMFPRNSQNJ-UHFFFAOYSA-N 0 0 329.308 2.768 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)NCC3(C)COC3)cc2[N+](=O)[O-])C1 ZINC000112621497 473288678 /nfs/dbraw/zinc/28/86/78/473288678.db2.gz ALULRVRUPQBJOC-CYBMUJFWSA-N 0 0 347.415 2.597 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4nccs4)C3)nc2c1 ZINC000177035862 473290389 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COC(=O)CN(Cc1ccccc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000148161791 473316155 /nfs/dbraw/zinc/31/61/55/473316155.db2.gz XOAPTSLCAVCNAZ-UHFFFAOYSA-N 0 0 342.351 2.719 10 5 EFBERN CCc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000177148128 473318519 /nfs/dbraw/zinc/31/85/19/473318519.db2.gz XNBODKBPNNQUMC-MRXNPFEDSA-N 0 0 342.399 2.967 10 5 EFBERN O=C(NC1(COc2ccc([N+](=O)[O-])cn2)CC1)OCc1ccccc1 ZINC000148953461 473324550 /nfs/dbraw/zinc/32/45/50/473324550.db2.gz DNYCMVANWUOZDV-UHFFFAOYSA-N 0 0 343.339 2.828 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CCCOC2)C1 ZINC000083183817 473329507 /nfs/dbraw/zinc/32/95/07/473329507.db2.gz FIJBGPGEGBZZRH-QGZVFWFLSA-N 0 0 333.388 2.697 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CCCOC2)C1 ZINC000083196849 473330096 /nfs/dbraw/zinc/33/00/96/473330096.db2.gz PIWWLHLNVBZOTN-GOSISDBHSA-N 0 0 347.415 2.740 10 5 EFBERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177212091 473331493 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CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CCN1CC(F)F ZINC000125034895 473345323 /nfs/dbraw/zinc/34/53/23/473345323.db2.gz FEDIMMIEWZUFQJ-GFCCVEGCSA-N 0 0 341.358 2.705 10 5 EFBERN C[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000190670298 473355933 /nfs/dbraw/zinc/35/59/33/473355933.db2.gz GTVITXMDAXQBDK-GXTWGEPZSA-N 0 0 326.418 2.983 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NCC3(CO)CC4(CCC4)C3)c2c1 ZINC000618977669 469485902 /nfs/dbraw/zinc/48/59/02/469485902.db2.gz ZZWJGIKZIVTJKT-UHFFFAOYSA-N 0 0 328.372 2.893 10 5 EFBERN C[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000190670280 473357224 /nfs/dbraw/zinc/35/72/24/473357224.db2.gz GTVITXMDAXQBDK-TZMCWYRMSA-N 0 0 326.418 2.983 10 5 EFBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000171317789 473360951 /nfs/dbraw/zinc/36/09/51/473360951.db2.gz HUZZJEFCLYJRNU-HNNXBMFYSA-N 0 0 330.340 2.721 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000190686753 473361434 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EFBERN COC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000171423519 473383042 /nfs/dbraw/zinc/38/30/42/473383042.db2.gz DPWRZWOUPFSTKB-OAHLLOKOSA-N 0 0 340.339 2.589 10 5 EFBERN Cc1noc(C)c1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000084023202 473383436 /nfs/dbraw/zinc/38/34/36/473383436.db2.gz TYMVFCDSTCUZAH-UHFFFAOYSA-N 0 0 332.360 2.632 10 5 EFBERN Cc1c(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000125266283 473384251 /nfs/dbraw/zinc/38/42/51/473384251.db2.gz FWEWPACFLWYFEH-UHFFFAOYSA-N 0 0 347.396 2.644 10 5 EFBERN CCC1(CC)CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000185285002 473386489 /nfs/dbraw/zinc/38/64/89/473386489.db2.gz UFAHETNXLGOASY-HSZRJFAPSA-N 0 0 340.445 2.727 10 5 EFBERN COc1cccc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000185302820 473389582 /nfs/dbraw/zinc/38/95/82/473389582.db2.gz XDUCCCNHLARABJ-CYBMUJFWSA-N 0 0 349.431 2.981 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC(C2CCOCC2)C1 ZINC000619730129 479867686 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YMKKJKYDHRPKQA-QGZVFWFLSA-N 0 0 347.371 2.604 10 5 EFBERN COc1ccc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000452043490 476792393 /nfs/dbraw/zinc/79/23/93/476792393.db2.gz BAIWEBPXGHSHSE-CQSZACIVSA-N 0 0 342.399 2.882 10 5 EFBERN CCOC1(C)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459622978 478014669 /nfs/dbraw/zinc/01/46/69/478014669.db2.gz PMZAYLUPNNXONF-UHFFFAOYSA-N 0 0 330.388 2.606 10 5 EFBERN COc1cccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000494676322 478041510 /nfs/dbraw/zinc/04/15/10/478041510.db2.gz YVCVJVJKQAVYOU-LBPRGKRZSA-N 0 0 344.367 2.973 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592107949 478780141 /nfs/dbraw/zinc/78/01/41/478780141.db2.gz KHNYXPTURZUIRP-LPEHRKFASA-N 0 0 330.793 2.715 10 5 EFBERN CCSCC[C@@H](C)NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601359350 478802281 /nfs/dbraw/zinc/80/22/81/478802281.db2.gz HMQNQQIIWAACNI-MRVPVSSYSA-N 0 0 338.476 2.775 10 5 EFBERN 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C[C@H]1CCCN(c2ccc(C(=O)NC3=NCCS3)cc2[N+](=O)[O-])C1 ZINC000008427735 471688043 /nfs/dbraw/zinc/68/80/43/471688043.db2.gz PAYWNBUVUHHLSP-NSHDSACASA-N 0 0 348.428 2.664 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cnn(-c2ccccc2)c1 ZINC000011560483 471754096 /nfs/dbraw/zinc/75/40/96/471754096.db2.gz DRUAFQMLKWFHNO-UHFFFAOYSA-N 0 0 336.351 2.639 10 5 EFBERN O=[N+]([O-])c1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 ZINC000012606590 471785350 /nfs/dbraw/zinc/78/53/50/471785350.db2.gz KLNVMVMBVYNRRP-UHFFFAOYSA-N 0 0 349.368 2.567 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccco1)C1CC1 ZINC000012916293 471805343 /nfs/dbraw/zinc/80/53/43/471805343.db2.gz OQMBLEIDFPKEKN-UHFFFAOYSA-N 0 0 336.369 2.850 10 5 EFBERN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ncsc2c1 ZINC000012993561 471810709 /nfs/dbraw/zinc/81/07/09/471810709.db2.gz RYQWZJNQFXHCGE-AWEZNQCLSA-N 0 0 343.364 2.668 10 5 EFBERN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(O)cc1 ZINC000014115164 471852972 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EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CCO)CCC1 ZINC000154371161 472423396 /nfs/dbraw/zinc/42/33/96/472423396.db2.gz UKXBHASGSHWUAF-GFCCVEGCSA-N 0 0 338.429 2.744 10 5 EFBERN Cc1nccn1C[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000128260021 472425608 /nfs/dbraw/zinc/42/56/08/472425608.db2.gz YCQWKTHFXLDVQW-MRXNPFEDSA-N 0 0 342.399 2.642 10 5 EFBERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)no1 ZINC000128302697 472432155 /nfs/dbraw/zinc/43/21/55/472432155.db2.gz MEAOKLLIHAUPGW-NSHDSACASA-N 0 0 348.334 2.520 10 5 EFBERN Cc1nc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)no1 ZINC000097080858 472432839 /nfs/dbraw/zinc/43/28/39/472432839.db2.gz FVVNAQXWBLPRNI-UHFFFAOYSA-N 0 0 325.712 2.604 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000089447246 472440703 /nfs/dbraw/zinc/44/07/03/472440703.db2.gz GKYWLTMBGOCUIQ-HNNXBMFYSA-N 0 0 339.351 2.523 10 5 EFBERN CC(C)Cc1ccc([C@@H](C)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000128383882 472444546 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O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1nc(C2CCCC2)no1 ZINC000119112728 472527733 /nfs/dbraw/zinc/52/77/33/472527733.db2.gz MTPRAOOQDQYVDG-UHFFFAOYSA-N 0 0 330.300 2.592 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H](Cn2cncn2)C1 ZINC000119127097 472529488 /nfs/dbraw/zinc/52/94/88/472529488.db2.gz AKOBWIVSNZDGQJ-LBPRGKRZSA-N 0 0 335.795 2.752 10 5 EFBERN CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071185069 472543354 /nfs/dbraw/zinc/54/33/54/472543354.db2.gz WLOHFVXMHHDCFN-CYBMUJFWSA-N 0 0 335.404 2.667 10 5 EFBERN COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000046401836 472554117 /nfs/dbraw/zinc/55/41/17/472554117.db2.gz FCTWQRXKCTUHLA-SNVBAGLBSA-N 0 0 333.319 2.937 10 5 EFBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119602054 472568791 /nfs/dbraw/zinc/56/87/91/472568791.db2.gz NWKASWDQIKWWIA-KGLIPLIRSA-N 0 0 335.360 2.838 10 5 EFBERN Cc1sc(C(=O)NC2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000046620002 472578228 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EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000071896385 472605363 /nfs/dbraw/zinc/60/53/63/472605363.db2.gz VMRVRSOXTNKRRS-DEOSSOPVSA-N 0 0 346.408 2.582 10 5 EFBERN CC[C@H](NC(=O)c1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466919 472622160 /nfs/dbraw/zinc/62/21/60/472622160.db2.gz AATHUYSXYNAIFO-INIZCTEOSA-N 0 0 341.367 2.836 10 5 EFBERN CC[C@H](NC(=O)c1ccc2c(c1)nnn2C)c1cccc([N+](=O)[O-])c1 ZINC000090466884 472622290 /nfs/dbraw/zinc/62/22/90/472622290.db2.gz TXWKBYMXIFGBMW-AWEZNQCLSA-N 0 0 339.355 2.758 10 5 EFBERN CC[C@H](NC(=O)CNC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000090466640 472622515 /nfs/dbraw/zinc/62/25/15/472622515.db2.gz FRJXIYQUWIXXTE-ZDUSSCGKSA-N 0 0 347.396 2.654 10 5 EFBERN Cc1cc(-c2noc(Cn3cc([N+](=O)[O-])cc(C)c3=O)n2)ccc1F ZINC000155841673 472626117 /nfs/dbraw/zinc/62/61/17/472626117.db2.gz HQNPCKVDBXYYPZ-UHFFFAOYSA-N 0 0 344.302 2.611 10 5 EFBERN Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c(C)c1C ZINC000155862422 472627880 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Cc1cc([N+](=O)[O-])cn(Cc2cc(Cl)c3c(c2)OCCO3)c1=O ZINC000155928696 472642179 /nfs/dbraw/zinc/64/21/79/472642179.db2.gz HCEUWZWXGRAPCZ-UHFFFAOYSA-N 0 0 336.731 2.538 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000090615233 472643970 /nfs/dbraw/zinc/64/39/70/472643970.db2.gz UQKAWOSAUCOUFY-HIFRSBDPSA-N 0 0 343.387 2.626 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688560 472652256 /nfs/dbraw/zinc/65/22/56/472652256.db2.gz FJPAXLFUVVSFCE-HIFRSBDPSA-N 0 0 349.387 2.641 10 5 EFBERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156011800 472654907 /nfs/dbraw/zinc/65/49/07/472654907.db2.gz YIIRXZLRKBGXOS-ZDUSSCGKSA-N 0 0 344.375 2.714 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000120315381 472668093 /nfs/dbraw/zinc/66/80/93/472668093.db2.gz DEMHCARKILUKNY-HNNXBMFYSA-N 0 0 348.380 2.879 10 5 EFBERN COCCCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000047199737 472668961 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CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CC(F)F)CC1 ZINC000104679850 472682032 /nfs/dbraw/zinc/68/20/32/472682032.db2.gz WNJZLUIPFWEBQI-UHFFFAOYSA-N 0 0 343.374 2.765 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000104680055 472682870 /nfs/dbraw/zinc/68/28/70/472682870.db2.gz DHPNOSQFJCRAPB-CQSZACIVSA-N 0 0 335.404 2.612 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C1CC1 ZINC000060991840 472686016 /nfs/dbraw/zinc/68/60/16/472686016.db2.gz BBGLKHRVUGUUSR-NSHDSACASA-N 0 0 339.417 2.590 10 5 EFBERN CN(C)c1ccccc1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156316057 472690753 /nfs/dbraw/zinc/69/07/53/472690753.db2.gz FQKLFSZVHHOUGA-UHFFFAOYSA-N 0 0 349.412 2.627 10 5 EFBERN CC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1nccs1 ZINC000131778183 472692204 /nfs/dbraw/zinc/69/22/04/472692204.db2.gz MFZUVYHIHWKTPG-LBPRGKRZSA-N 0 0 349.368 2.719 10 5 EFBERN CC[C@@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1nccs1 ZINC000131778431 472693383 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CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ncccc12 ZINC000048523622 472885799 /nfs/dbraw/zinc/88/57/99/472885799.db2.gz ICTJSWYKNWSYOE-UHFFFAOYSA-N 0 0 339.307 2.650 10 5 EFBERN CC1CCN(c2ccc(C(=O)N(C)[C@H]3CCOC3)cc2[N+](=O)[O-])CC1 ZINC000106848677 472897731 /nfs/dbraw/zinc/89/77/31/472897731.db2.gz YSZLDRIFJAYUID-HNNXBMFYSA-N 0 0 347.415 2.692 10 5 EFBERN Cc1[nH]c2ccc(CNC(=O)CCn3cc([N+](=O)[O-])cn3)cc2c1C ZINC000065109412 472899115 /nfs/dbraw/zinc/89/91/15/472899115.db2.gz PIPVCQOXVMDENR-UHFFFAOYSA-N 0 0 341.371 2.596 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000106894746 472907399 /nfs/dbraw/zinc/90/73/99/472907399.db2.gz QASSFSXYRGLMDZ-NSHDSACASA-N 0 0 348.446 2.626 10 5 EFBERN CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1C ZINC000048902510 472918928 /nfs/dbraw/zinc/91/89/28/472918928.db2.gz UTRZGZBHSHODJX-UHFFFAOYSA-N 0 0 328.328 2.817 10 5 EFBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)n1 ZINC000079858746 472932117 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COC(=O)c1cc(Nc2ccn(CC(F)F)n2)ccc1[N+](=O)[O-] ZINC000092665777 472957616 /nfs/dbraw/zinc/95/76/16/472957616.db2.gz YBRORCITCAQAIB-UHFFFAOYSA-N 0 0 326.259 2.587 10 5 EFBERN Cc1ccc([C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158758207 472965622 /nfs/dbraw/zinc/96/56/22/472965622.db2.gz SVLRUDFWYSBFRB-QGZVFWFLSA-N 0 0 332.356 2.949 10 5 EFBERN COCCOc1ccccc1C(=O)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000065542609 472972136 /nfs/dbraw/zinc/97/21/36/472972136.db2.gz VMJPFRZJWUDKCS-UHFFFAOYSA-N 0 0 348.330 2.689 10 5 EFBERN CN(Cc1csc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1 ZINC000074289412 472979263 /nfs/dbraw/zinc/97/92/63/472979263.db2.gz YLUZZSBSYCBUQK-HNNXBMFYSA-N 0 0 336.413 2.666 10 5 EFBERN CC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000065623171 472994096 /nfs/dbraw/zinc/99/40/96/472994096.db2.gz QNRBNCNIZLGBFX-UHFFFAOYSA-N 0 0 327.340 2.792 10 5 EFBERN C[S@@](=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000080246611 473001765 /nfs/dbraw/zinc/00/17/65/473001765.db2.gz DNFFKIGCFRJHRA-NRFANRHFSA-N 0 0 325.777 2.993 10 5 EFBERN CCN(CCc1nccs1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000159150906 473003195 /nfs/dbraw/zinc/00/31/95/473003195.db2.gz TYKUVKAHCTWIFR-UHFFFAOYSA-N 0 0 348.428 2.863 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(NCc2cscn2)c([N+](=O)[O-])c1 ZINC000050932802 473014569 /nfs/dbraw/zinc/01/45/69/473014569.db2.gz RDHDHJLCWTYCJD-UHFFFAOYSA-N 0 0 343.368 2.628 10 5 EFBERN CCCc1n[nH]c(C(=O)N(CCC)C[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000159311606 473018420 /nfs/dbraw/zinc/01/84/20/473018420.db2.gz LKGICBOMJZSTRK-LBPRGKRZSA-N 0 0 338.408 2.692 10 5 EFBERN C[C@H](Cc1ccccc1F)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065881014 473023003 /nfs/dbraw/zinc/02/30/03/473023003.db2.gz DKIMGOILHMNRGD-GFCCVEGCSA-N 0 0 331.347 2.893 10 5 EFBERN CN(C[C@@H]1CCCO1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051469212 473052060 /nfs/dbraw/zinc/05/20/60/473052060.db2.gz GHZMRSLNHPOFIR-ZDUSSCGKSA-N 0 0 347.396 2.969 10 5 EFBERN CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000159773120 473059800 /nfs/dbraw/zinc/05/98/00/473059800.db2.gz BBYDTFAIMWAHFH-LLVKDONJSA-N 0 0 341.414 2.823 10 5 EFBERN Cc1ccc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000080652340 473063330 /nfs/dbraw/zinc/06/33/30/473063330.db2.gz WMZVRKVQVDQDND-NSHDSACASA-N 0 0 345.321 2.798 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000080672922 473066884 /nfs/dbraw/zinc/06/68/84/473066884.db2.gz IABGGDFUELNFDJ-LLVKDONJSA-N 0 0 334.351 2.545 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000080672919 473067011 /nfs/dbraw/zinc/06/70/11/473067011.db2.gz IABGGDFUELNFDJ-NSHDSACASA-N 0 0 334.351 2.545 10 5 EFBERN Cc1nn(C)c(N2CCc3[nH]c4ccc(F)cc4c3C2)c1[N+](=O)[O-] ZINC000051853457 473068554 /nfs/dbraw/zinc/06/85/54/473068554.db2.gz BVLFOAAVCSFNQY-UHFFFAOYSA-N 0 0 329.335 2.820 10 5 EFBERN CCc1nc2n(n1)C[C@@H](Nc1ccc([N+](=O)[O-])c3cccnc13)CC2 ZINC000108948435 473069398 /nfs/dbraw/zinc/06/93/98/473069398.db2.gz MXMFSNXJUDIJRF-NSHDSACASA-N 0 0 338.371 2.724 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000123008442 473085032 /nfs/dbraw/zinc/08/50/32/473085032.db2.gz PCIPVZQFUMVMTB-CYBMUJFWSA-N 0 0 329.312 2.859 10 5 EFBERN CCO[C@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000080819757 473090590 /nfs/dbraw/zinc/09/05/90/473090590.db2.gz PEKOMOYQEALNCD-SECBINFHSA-N 0 0 338.389 2.749 10 5 EFBERN CCOc1cccc(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000135549118 473091264 /nfs/dbraw/zinc/09/12/64/473091264.db2.gz FYLXAMJSIDKUTO-UHFFFAOYSA-N 0 0 329.356 2.747 10 5 EFBERN Cc1ccc(CN(C)Cc2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000093365384 473096872 /nfs/dbraw/zinc/09/68/72/473096872.db2.gz BZXWDSDKJQBWIO-UHFFFAOYSA-N 0 0 339.355 2.980 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nc2c(s1)CCC2 ZINC000160229012 473099785 /nfs/dbraw/zinc/09/97/85/473099785.db2.gz MEYQNQAFLZVEBG-UHFFFAOYSA-N 0 0 336.398 2.666 10 5 EFBERN Cc1nccn1-c1ccc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000080927751 473103676 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O=[N+]([O-])c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c2ncccc12 ZINC000075053959 473117607 /nfs/dbraw/zinc/11/76/07/473117607.db2.gz ODRSDMJSAGHEBS-CYBMUJFWSA-N 0 0 327.262 2.647 10 5 EFBERN CC(C)C(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000080975564 473120950 /nfs/dbraw/zinc/12/09/50/473120950.db2.gz FGJCQTQIFMWGNE-ZDUSSCGKSA-N 0 0 342.399 2.884 10 5 EFBERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000109853771 473130962 /nfs/dbraw/zinc/13/09/62/473130962.db2.gz SHWLVDIWTWNLHO-ZDUSSCGKSA-N 0 0 343.387 2.534 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000109864900 473132339 /nfs/dbraw/zinc/13/23/39/473132339.db2.gz HKEOERGOZWAFFL-CYBMUJFWSA-N 0 0 341.371 2.541 10 5 EFBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000075137163 473137403 /nfs/dbraw/zinc/13/74/03/473137403.db2.gz FYSFFLIZGNWVKU-DYVFJYSZSA-N 0 0 349.346 2.722 10 5 EFBERN Cc1c(NC(=O)NCCCCn2ccccc2=O)cccc1[N+](=O)[O-] ZINC000075139097 473138016 /nfs/dbraw/zinc/13/80/16/473138016.db2.gz OLDKABZYCNAXDK-UHFFFAOYSA-N 0 0 344.371 2.667 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCn2ncnc21 ZINC000160556269 473142283 /nfs/dbraw/zinc/14/22/83/473142283.db2.gz RYYHGNUXWFVBMT-LBPRGKRZSA-N 0 0 347.400 2.563 10 5 EFBERN COCC(C)(C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000066745114 473147413 /nfs/dbraw/zinc/14/74/13/473147413.db2.gz LMCIHTYIGXCWNR-ZDUSSCGKSA-N 0 0 349.431 2.986 10 5 EFBERN CC[C@](C)(O)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000075223497 473152973 /nfs/dbraw/zinc/15/29/73/473152973.db2.gz QWWWZOBUQORWMM-UGSOOPFHSA-N 0 0 349.431 2.722 10 5 EFBERN O=[N+]([O-])c1cnccc1NCc1cccnc1OCC(F)(F)F ZINC000066808421 473155584 /nfs/dbraw/zinc/15/55/84/473155584.db2.gz QUPHIKAJODTYIM-UHFFFAOYSA-N 0 0 328.250 2.938 10 5 EFBERN COc1ccccc1N1CC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066811753 473156107 /nfs/dbraw/zinc/15/61/07/473156107.db2.gz LSVBZFIRQAWMHA-ZDUSSCGKSA-N 0 0 328.372 2.937 10 5 EFBERN C[C@@H]1CN(c2ccc(CNc3ccncc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000066809003 473156652 /nfs/dbraw/zinc/15/66/52/473156652.db2.gz XSYAEQVJKLAAAO-BETUJISGSA-N 0 0 343.387 2.611 10 5 EFBERN O=C(NC1CCCCC1)NC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066810378 473156706 /nfs/dbraw/zinc/15/67/06/473156706.db2.gz XGQJPRGNAWBWJY-UHFFFAOYSA-N 0 0 347.419 2.591 10 5 EFBERN CCn1cc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000123610666 473164472 /nfs/dbraw/zinc/16/44/72/473164472.db2.gz UVLZSHZSDRSTPI-UHFFFAOYSA-N 0 0 328.372 2.831 10 5 EFBERN CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000081259628 473169626 /nfs/dbraw/zinc/16/96/26/473169626.db2.gz CCMXAXZTVSFDTF-AWEZNQCLSA-N 0 0 330.388 2.755 10 5 EFBERN CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000081261691 473170786 /nfs/dbraw/zinc/17/07/86/473170786.db2.gz KKILMQGPMDQKGI-CYBMUJFWSA-N 0 0 346.387 2.591 10 5 EFBERN COc1ccc(F)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000123684709 473173843 /nfs/dbraw/zinc/17/38/43/473173843.db2.gz WQMGSKHLNZVEDX-UHFFFAOYSA-N 0 0 340.332 2.852 10 5 EFBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)cc1Cl ZINC000123713154 473176244 /nfs/dbraw/zinc/17/62/44/473176244.db2.gz JJDJAGQCGRDACS-ZETCQYMHSA-N 0 0 326.715 2.612 10 5 EFBERN CCc1ccc(CC)c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000075365930 473176782 /nfs/dbraw/zinc/17/67/82/473176782.db2.gz XHLHFTAUTKHKGE-UHFFFAOYSA-N 0 0 329.356 2.520 10 5 EFBERN COC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000075368069 473177777 /nfs/dbraw/zinc/17/77/77/473177777.db2.gz VUDQEVAFMZQFCJ-MRXNPFEDSA-N 0 0 348.330 2.617 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000094157545 473181880 /nfs/dbraw/zinc/18/18/80/473181880.db2.gz QCELXQUDEKUICJ-VMZNBEPHSA-N 0 0 332.400 2.753 10 5 EFBERN Cc1csc([C@@H](C)NC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000160976950 473195811 /nfs/dbraw/zinc/19/58/11/473195811.db2.gz BSTPTFVCULNOSQ-LLVKDONJSA-N 0 0 334.401 2.963 10 5 EFBERN Cc1cccc(OCC(=O)N2CCC(c3ccccc3)=N2)c1[N+](=O)[O-] ZINC000123990826 473203922 /nfs/dbraw/zinc/20/39/22/473203922.db2.gz PCYRKEVLTCIUMO-UHFFFAOYSA-N 0 0 339.351 2.919 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)Cn1ccnc1C ZINC000185360689 473405180 /nfs/dbraw/zinc/40/51/80/473405180.db2.gz VKVDMSUFLDLBPC-LFGHMXSPSA-N 0 0 342.399 2.956 10 5 EFBERN O=C(Nc1ccccc1)c1c(CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000113650802 473412896 /nfs/dbraw/zinc/41/28/96/473412896.db2.gz UGTRVMAQBPWFBM-UHFFFAOYSA-N 0 0 341.367 2.679 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000171576284 473413119 /nfs/dbraw/zinc/41/31/19/473413119.db2.gz RUZYLPKEKQHLIK-GFCCVEGCSA-N 0 0 334.401 2.984 10 5 EFBERN COC(=O)[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000125472292 473414760 /nfs/dbraw/zinc/41/47/60/473414760.db2.gz ZQWFJKSBNPVWKB-OAHLLOKOSA-N 0 0 328.324 2.547 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171610670 473420363 /nfs/dbraw/zinc/42/03/63/473420363.db2.gz LSHHXLZWKUXINU-UHFFFAOYSA-N 0 0 340.383 2.788 10 5 EFBERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151196736 473423918 /nfs/dbraw/zinc/42/39/18/473423918.db2.gz BXIBUAQFRFETCX-SMDDNHRTSA-N 0 0 331.376 2.518 10 5 EFBERN CCc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000177742264 473426618 /nfs/dbraw/zinc/42/66/18/473426618.db2.gz AZUUZPOXEXHDOQ-OAHLLOKOSA-N 0 0 328.372 2.659 10 5 EFBERN CCc1nc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000171661656 473432471 /nfs/dbraw/zinc/43/24/71/473432471.db2.gz CUHNUJKQWRYPBW-UHFFFAOYSA-N 0 0 334.401 2.955 10 5 EFBERN CC[C@@H](NC(=O)CNC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000177780770 473433817 /nfs/dbraw/zinc/43/38/17/473433817.db2.gz FRJXIYQUWIXXTE-CYBMUJFWSA-N 0 0 347.396 2.654 10 5 EFBERN CC[C@@H](NC(=O)CCCCCNC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000177785223 473434602 /nfs/dbraw/zinc/43/46/02/473434602.db2.gz MEJNXEHRKUFZMM-MRXNPFEDSA-N 0 0 335.404 2.859 10 5 EFBERN CC[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177795672 473436825 /nfs/dbraw/zinc/43/68/25/473436825.db2.gz FUSIZDCRTJUXRV-HZPDHXFCSA-N 0 0 336.388 2.748 10 5 EFBERN CC[C@@H](NC(=O)c1cnn2ccc(C)nc12)c1cccc([N+](=O)[O-])c1 ZINC000177792916 473436874 /nfs/dbraw/zinc/43/68/74/473436874.db2.gz CRUXDNIBRSLHFT-OAHLLOKOSA-N 0 0 339.355 2.827 10 5 EFBERN Cc1ccn2ncc(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2n1 ZINC000177847331 473443640 /nfs/dbraw/zinc/44/36/40/473443640.db2.gz MSIGQYSISURYAD-GFCCVEGCSA-N 0 0 339.355 2.745 10 5 EFBERN C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccs1 ZINC000171734679 473448598 /nfs/dbraw/zinc/44/85/98/473448598.db2.gz VXXNGBMCUCYARF-JTQLQIEISA-N 0 0 343.368 2.728 10 5 EFBERN COc1ccc(OC(=O)[C@@H]2CCCN2c2nccs2)cc1[N+](=O)[O-] ZINC000191008018 473454636 /nfs/dbraw/zinc/45/46/36/473454636.db2.gz QFWXMKGXAHXNEH-NSHDSACASA-N 0 0 349.368 2.634 10 5 EFBERN COc1cccc(N2CCO[C@@H](c3cccc(O)c3)C2)c1[N+](=O)[O-] ZINC000185589968 473463067 /nfs/dbraw/zinc/46/30/67/473463067.db2.gz XCHVVAJRLMEOQC-MRXNPFEDSA-N 0 0 330.340 2.887 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC/C=C/c1ccccc1 ZINC000171837035 473467701 /nfs/dbraw/zinc/46/77/01/473467701.db2.gz ODGOARNCCWHMEY-VMPITWQZSA-N 0 0 348.380 2.595 10 5 EFBERN CC[C@@H](NC(=O)C(=O)Nc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000125888453 473468484 /nfs/dbraw/zinc/46/84/84/473468484.db2.gz YVUWMRJDICKGDN-CYBMUJFWSA-N 0 0 333.369 2.862 10 5 EFBERN O=C(NC/C=C/c1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171857089 473470555 /nfs/dbraw/zinc/47/05/55/473470555.db2.gz IPEOCLNZKAWWBO-QPJJXVBHSA-N 0 0 349.346 2.880 10 5 EFBERN CCc1ccc(C(=O)NC[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000151579291 473474881 /nfs/dbraw/zinc/47/48/81/473474881.db2.gz RLQOZQDATHHBSQ-MRXNPFEDSA-N 0 0 328.368 2.663 10 5 EFBERN O=C([O-])[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000164617410 473494905 /nfs/dbraw/zinc/49/49/05/473494905.db2.gz AMJRFZREVAATOY-ZDUSSCGKSA-N 0 0 345.355 2.589 10 5 EFBERN COC(=O)c1cc(C(=O)NC/C=C/c2ccccc2)cc([N+](=O)[O-])c1 ZINC000171994149 473496547 /nfs/dbraw/zinc/49/65/47/473496547.db2.gz FAWBWCUINAMTED-VMPITWQZSA-N 0 0 340.335 2.825 10 5 EFBERN COc1cccc(N2CCCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000185727443 473498703 /nfs/dbraw/zinc/49/87/03/473498703.db2.gz ZOCIEUGSZIUTQZ-UHFFFAOYSA-N 0 0 328.372 2.715 10 5 EFBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000126314543 473506990 /nfs/dbraw/zinc/50/69/90/473506990.db2.gz FWOZZQLQDVJDLA-LBPRGKRZSA-N 0 0 336.388 2.716 10 5 EFBERN Cc1sc(C(=O)N[C@@H](CO)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000191206785 473508328 /nfs/dbraw/zinc/50/83/28/473508328.db2.gz TZBRIDPOQSNBLN-CYBMUJFWSA-N 0 0 334.397 2.607 10 5 EFBERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185804987 473518279 /nfs/dbraw/zinc/51/82/79/473518279.db2.gz WUFRGBWCSOMLKG-LBPRGKRZSA-N 0 0 335.385 2.762 10 5 EFBERN COCCNc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000191282111 473523145 /nfs/dbraw/zinc/52/31/45/473523145.db2.gz JOSMHAPTCGRZIM-UHFFFAOYSA-N 0 0 330.344 2.609 10 5 EFBERN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000166529610 473528068 /nfs/dbraw/zinc/52/80/68/473528068.db2.gz NTVJYUVEDYDZCL-GOEBONIOSA-N 0 0 343.431 2.956 10 5 EFBERN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000172182395 473543511 /nfs/dbraw/zinc/54/35/11/473543511.db2.gz BFBHEGPELGFNGL-UHFFFAOYSA-N 0 0 334.353 2.639 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)n1 ZINC000191480565 473544135 /nfs/dbraw/zinc/54/41/35/473544135.db2.gz XAMDTAOMQZSFGB-OAHLLOKOSA-N 0 0 344.371 2.701 10 5 EFBERN Cc1sc(C(=O)N(C)CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000152290219 473545050 /nfs/dbraw/zinc/54/50/50/473545050.db2.gz QHJNPUFGFOFMTM-UHFFFAOYSA-N 0 0 328.390 2.769 10 5 EFBERN CCc1nnc(C2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000191503876 473548181 /nfs/dbraw/zinc/54/81/81/473548181.db2.gz ADWKWKQROOCNQS-UHFFFAOYSA-N 0 0 343.387 2.604 10 5 EFBERN C[C@H]1Cc2ccccc2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178723885 473548681 /nfs/dbraw/zinc/54/86/81/473548681.db2.gz QHOBQONIDMVESJ-ZDUSSCGKSA-N 0 0 346.408 2.871 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)c2ccccn2)n1 ZINC000191532849 473550324 /nfs/dbraw/zinc/55/03/24/473550324.db2.gz RRHYPRRJXQNFTK-UHFFFAOYSA-N 0 0 341.327 2.646 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(F)c(Cl)c2)n1 ZINC000191589578 473557953 /nfs/dbraw/zinc/55/79/53/473557953.db2.gz NRXKSEIGUOQXSP-UHFFFAOYSA-N 0 0 326.715 2.534 10 5 EFBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000191626461 473562081 /nfs/dbraw/zinc/56/20/81/473562081.db2.gz ZBUCQEMDSHHUIZ-GFCCVEGCSA-N 0 0 338.314 2.971 10 5 EFBERN CC[C@H](c1ccncc1)N(CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191629567 473562716 /nfs/dbraw/zinc/56/27/16/473562716.db2.gz DFAZNZPVBAKHCU-CYBMUJFWSA-N 0 0 331.376 2.820 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3N(C)CC[C@H]2C)n1 ZINC000191634137 473562726 /nfs/dbraw/zinc/56/27/26/473562726.db2.gz HEZQLXRLXFWUBJ-GFCCVEGCSA-N 0 0 343.387 2.686 10 5 EFBERN CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000191639455 473562896 /nfs/dbraw/zinc/56/28/96/473562896.db2.gz WRKCTCIDJIDXBE-LLVKDONJSA-N 0 0 330.344 2.629 10 5 EFBERN Cc1ccc(C(=O)N2CCC(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000170605884 473563747 /nfs/dbraw/zinc/56/37/47/473563747.db2.gz KDYLFEYJLLDZCU-UHFFFAOYSA-N 0 0 326.356 2.713 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)n1 ZINC000191661522 473565544 /nfs/dbraw/zinc/56/55/44/473565544.db2.gz IIJQMOFYRIFLDX-NSHDSACASA-N 0 0 334.298 2.662 10 5 EFBERN CC(C)C[C@@H]1OCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000186006780 473569224 /nfs/dbraw/zinc/56/92/24/473569224.db2.gz FKHMCZIXSOJLCV-QWRGUYRKSA-N 0 0 348.446 2.528 10 5 EFBERN O=[N+]([O-])c1ccc(OCCN2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000127054715 473572143 /nfs/dbraw/zinc/57/21/43/473572143.db2.gz WMXKQSQUOICKFF-SFHVURJKSA-N 0 0 344.367 2.753 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000127115010 473579338 /nfs/dbraw/zinc/57/93/38/473579338.db2.gz JWRZCQSWEAPTPZ-ZDUSSCGKSA-N 0 0 330.388 2.718 10 5 EFBERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000115589354 473585988 /nfs/dbraw/zinc/58/59/88/473585988.db2.gz CXUQSZDKUUHWFR-JTQLQIEISA-N 0 0 341.414 2.823 10 5 EFBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000115589165 473586140 /nfs/dbraw/zinc/58/61/40/473586140.db2.gz KLVYUTQGAPVMBB-GFCCVEGCSA-N 0 0 335.385 2.762 10 5 EFBERN CC[C@H](NC(=O)N1CCCC2(C1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000152663707 473587009 /nfs/dbraw/zinc/58/70/09/473587009.db2.gz QGNGONGDRDCBKH-HNNXBMFYSA-N 0 0 349.387 2.594 10 5 EFBERN Cc1ccc(CN2CCC(c3nc(N(C)C)no3)CC2)cc1[N+](=O)[O-] ZINC000191907556 473588776 /nfs/dbraw/zinc/58/87/76/473588776.db2.gz NANYOQVCJPQOAI-UHFFFAOYSA-N 0 0 345.403 2.732 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCc2ccccn2)c1C ZINC000178912476 473589925 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EFBERN CC(C)(NC(=O)c1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000127431669 473612164 /nfs/dbraw/zinc/61/21/64/473612164.db2.gz NZBLKVAEQALFBR-UHFFFAOYSA-N 0 0 328.372 2.793 10 5 EFBERN CSCCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172448088 473612722 /nfs/dbraw/zinc/61/27/22/473612722.db2.gz JRUOGMTYUJGNCY-UHFFFAOYSA-N 0 0 334.401 2.654 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nn(C)c2ccccc12 ZINC000186200209 473614140 /nfs/dbraw/zinc/61/41/40/473614140.db2.gz IQDVJEPAXLAIDK-UHFFFAOYSA-N 0 0 338.367 2.762 10 5 EFBERN CN1C[C@H](NC(=O)c2cc3ccccc3c3cccnc23)CCC1=O ZINC000172494304 473623711 /nfs/dbraw/zinc/62/37/11/473623711.db2.gz PVIQETXTGLPANI-CQSZACIVSA-N 0 0 333.391 2.739 10 5 EFBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000172687531 473671502 /nfs/dbraw/zinc/67/15/02/473671502.db2.gz IWWPOARWFQTCKG-LBPRGKRZSA-N 0 0 342.351 2.786 10 5 EFBERN Cc1nc(C2(NC(=O)c3cc(C)ccc3[N+](=O)[O-])CCCC2)no1 ZINC000172723366 473675730 /nfs/dbraw/zinc/67/57/30/473675730.db2.gz 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O=C(NCC[C@H]1COc2ccccc2O1)c1ccccc1[N+](=O)[O-] ZINC000361163864 475235381 /nfs/dbraw/zinc/23/53/81/475235381.db2.gz MMPYJHMUSVKQJP-LBPRGKRZSA-N 0 0 328.324 2.555 10 5 EFBERN COc1ccc(CNC(=O)N2CCCC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000337688999 475241185 /nfs/dbraw/zinc/24/11/85/475241185.db2.gz SFJWNWQHRVXSRH-LLVKDONJSA-N 0 0 343.330 2.933 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nnc(C(C)C)[nH]1 ZINC000296284842 475251858 /nfs/dbraw/zinc/25/18/58/475251858.db2.gz XPOYDBRQPHYKAK-UHFFFAOYSA-N 0 0 337.767 2.728 10 5 EFBERN Cc1ccc2ncc(-c3noc(-c4cc([N+](=O)[O-])cnc4C)n3)n2c1 ZINC000347347957 475254504 /nfs/dbraw/zinc/25/45/04/475254504.db2.gz ZQBWJOFZQPNJDL-UHFFFAOYSA-N 0 0 336.311 2.971 10 5 EFBERN O=C(NCc1ccn(Cc2ccccc2)n1)c1csc([N+](=O)[O-])c1 ZINC000341733669 475259313 /nfs/dbraw/zinc/25/93/13/475259313.db2.gz VBOOYZDQOUHVNS-UHFFFAOYSA-N 0 0 342.380 2.831 10 5 EFBERN CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(F)cc1 ZINC000361193051 475260800 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O=C(COc1ccccc1[N+](=O)[O-])N1CC(c2ccccc2F)C1 ZINC000361227863 475284834 /nfs/dbraw/zinc/28/48/34/475284834.db2.gz IOORJKZFCVCWLZ-UHFFFAOYSA-N 0 0 330.315 2.739 10 5 EFBERN C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000341769028 475285574 /nfs/dbraw/zinc/28/55/74/475285574.db2.gz GUPOTZVIUTXXMO-BXUZGUMPSA-N 0 0 339.351 2.898 10 5 EFBERN C[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000341769029 475285870 /nfs/dbraw/zinc/28/58/70/475285870.db2.gz GUPOTZVIUTXXMO-FZMZJTMJSA-N 0 0 339.351 2.898 10 5 EFBERN C[C@H]1Cc2ccccc2[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354615973 475293511 /nfs/dbraw/zinc/29/35/11/475293511.db2.gz PBKLYSSNWUXSDO-ZBEGNZNMSA-N 0 0 332.381 2.807 10 5 EFBERN O=C1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000361235791 475293996 /nfs/dbraw/zinc/29/39/96/475293996.db2.gz FQPQRNXEEZXEES-HRCADAONSA-N 0 0 338.367 2.559 10 5 EFBERN Cc1cc(CN(C)c2ncc([N+](=O)[O-])c(C)c2Br)no1 ZINC000347400353 475297129 /nfs/dbraw/zinc/29/71/29/475297129.db2.gz OKHURFDNHKCKBZ-UHFFFAOYSA-N 0 0 341.165 2.994 10 5 EFBERN Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354623265 475298539 /nfs/dbraw/zinc/29/85/39/475298539.db2.gz LTWHYCIRKVCQPM-OAHLLOKOSA-N 0 0 348.380 2.624 10 5 EFBERN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc2cc[nH]c2c1 ZINC000352444545 475302091 /nfs/dbraw/zinc/30/20/91/475302091.db2.gz DKUMBXZBXVXVGO-UHFFFAOYSA-N 0 0 327.344 2.671 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2cccc(F)c2)C(=O)C1 ZINC000361262742 475311505 /nfs/dbraw/zinc/31/15/05/475311505.db2.gz OXVLLEICMYQMAK-UHFFFAOYSA-N 0 0 343.358 2.891 10 5 EFBERN CC(=O)C[C@@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000347432588 475312572 /nfs/dbraw/zinc/31/25/72/475312572.db2.gz GWLWYVDDANYIEC-QWHCGFSZSA-N 0 0 347.415 2.929 10 5 EFBERN Cc1cccnc1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000296442359 475316764 /nfs/dbraw/zinc/31/67/64/475316764.db2.gz MWFXWMASWNMRGW-UHFFFAOYSA-N 0 0 348.790 2.994 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000345638562 475326848 /nfs/dbraw/zinc/32/68/48/475326848.db2.gz YOPAPVUEJPVQDM-LLVKDONJSA-N 0 0 340.323 2.768 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCCOC2 ZINC000341844269 475350559 /nfs/dbraw/zinc/35/05/59/475350559.db2.gz USTDHTXYUABVIJ-INIZCTEOSA-N 0 0 336.413 2.716 10 5 EFBERN O=C(NCc1ncccc1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000352506677 475361644 /nfs/dbraw/zinc/36/16/44/475361644.db2.gz IBFPOPLBZJKHJY-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H]1C ZINC000296541345 475362296 /nfs/dbraw/zinc/36/22/96/475362296.db2.gz BEQOEHAMHVABGB-YUMQZZPRSA-N 0 0 338.307 2.643 10 5 EFBERN Cc1nn(Cc2cc(-c3cnn(C)c3)no2)c2ccc([N+](=O)[O-])cc12 ZINC000345692752 475370917 /nfs/dbraw/zinc/37/09/17/475370917.db2.gz MSXCIYUWLDSGSN-UHFFFAOYSA-N 0 0 338.327 2.690 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000358072014 475377470 /nfs/dbraw/zinc/37/74/70/475377470.db2.gz YBXYFWDRRPPAQY-MRXNPFEDSA-N 0 0 345.330 2.955 10 5 EFBERN CC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(F)(F)F ZINC000348091566 475379411 /nfs/dbraw/zinc/37/94/11/475379411.db2.gz KURAHLXYOAPVLH-GFCCVEGCSA-N 0 0 342.277 2.851 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000348095884 475383826 /nfs/dbraw/zinc/38/38/26/475383826.db2.gz QVJHDWBKJSNLJS-GFCCVEGCSA-N 0 0 342.277 2.851 10 5 EFBERN COc1cc(CNC2(c3noc(C)n3)CCCC2)ccc1[N+](=O)[O-] ZINC000352534102 475388793 /nfs/dbraw/zinc/38/87/93/475388793.db2.gz DCFFWCGIFIOGDD-UHFFFAOYSA-N 0 0 332.360 2.854 10 5 EFBERN COc1cc(CN(C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000352539940 475393461 /nfs/dbraw/zinc/39/34/61/475393461.db2.gz FHIHZWZHQLAEDY-XMMPIXPASA-N 0 0 348.424 2.973 10 5 EFBERN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352540173 475394116 /nfs/dbraw/zinc/39/41/16/475394116.db2.gz HUNGLGLBOMZNET-HZPDHXFCSA-N 0 0 349.431 2.825 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[C@@H]1C ZINC000354776437 475401000 /nfs/dbraw/zinc/40/10/00/475401000.db2.gz YHABUCRDOLNFMJ-NWDGAFQWSA-N 0 0 342.417 2.708 10 5 EFBERN COc1ccccc1NC(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352549587 475402699 /nfs/dbraw/zinc/40/26/99/475402699.db2.gz DIWUFQBYURTTNW-UHFFFAOYSA-N 0 0 343.383 2.716 10 5 EFBERN Cc1c(CNC(=O)NCc2ccc3cc[nH]c3n2)cccc1[N+](=O)[O-] ZINC000358109004 475407810 /nfs/dbraw/zinc/40/78/10/475407810.db2.gz PBENGRGCFQXSFW-UHFFFAOYSA-N 0 0 339.355 2.779 10 5 EFBERN C[C@H](C(=O)Nc1ncn(C(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000348123208 475408383 /nfs/dbraw/zinc/40/83/83/475408383.db2.gz VDGHHSSKFKFMTP-VIFPVBQESA-N 0 0 335.339 2.823 10 5 EFBERN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC(CO)C1 ZINC000358111217 475410408 /nfs/dbraw/zinc/41/04/08/475410408.db2.gz LZENYAAAAAYFKX-UHFFFAOYSA-N 0 0 344.392 2.810 10 5 EFBERN C[C@H](c1ccccn1)N(C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000341925479 475417878 /nfs/dbraw/zinc/41/78/78/475417878.db2.gz DYIAEWLUXBNESZ-SNVBAGLBSA-N 0 0 325.328 2.836 10 5 EFBERN Cc1cc(=O)[nH]c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000345751363 475419102 /nfs/dbraw/zinc/41/91/02/475419102.db2.gz FBCXVXLNBFLPFY-UHFFFAOYSA-N 0 0 335.747 2.630 10 5 EFBERN O=C(NCCC1(F)CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000345757986 475425384 /nfs/dbraw/zinc/42/53/84/475425384.db2.gz SNQMURVJVSZYSN-UHFFFAOYSA-N 0 0 332.335 2.793 10 5 EFBERN COc1cc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000341934245 475426051 /nfs/dbraw/zinc/42/60/51/475426051.db2.gz IHMDOUBTQRIFAI-GFCCVEGCSA-N 0 0 342.351 2.534 10 5 EFBERN CCc1noc(C)c1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000354808560 475427188 /nfs/dbraw/zinc/42/71/88/475427188.db2.gz QZHXNACQVLSRNW-UHFFFAOYSA-N 0 0 340.339 2.932 10 5 EFBERN Cc1ccc(NC(=O)NCc2nccc(C(F)F)n2)cc1[N+](=O)[O-] ZINC000348162707 475439247 /nfs/dbraw/zinc/43/92/47/475439247.db2.gz DCNUJAFEMLZOPS-UHFFFAOYSA-N 0 0 337.286 2.953 10 5 EFBERN Cc1n[nH]c(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000361423829 475439583 /nfs/dbraw/zinc/43/95/83/475439583.db2.gz WPJHGHQPYMLQFG-MRXNPFEDSA-N 0 0 332.335 2.569 10 5 EFBERN COc1nn(C)cc1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000352588136 475439784 /nfs/dbraw/zinc/43/97/84/475439784.db2.gz JYFXKHJMQJHNHJ-UHFFFAOYSA-N 0 0 327.138 2.843 10 5 EFBERN COc1c(C(=O)N2CCCC[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000341950606 475443159 /nfs/dbraw/zinc/44/31/59/475443159.db2.gz QGMDZPIQXHUGNT-CQSZACIVSA-N 0 0 344.371 2.704 10 5 EFBERN COc1nn(C)cc1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000352602044 475450810 /nfs/dbraw/zinc/45/08/10/475450810.db2.gz OWXNEXCXSZWIDF-UHFFFAOYSA-N 0 0 342.153 2.546 10 5 EFBERN CC(C)(C)n1cnc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000361440749 475453124 /nfs/dbraw/zinc/45/31/24/475453124.db2.gz PZAXYURVOUNCJF-UHFFFAOYSA-N 0 0 341.318 2.577 10 5 EFBERN CSc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1C ZINC000358171381 475458789 /nfs/dbraw/zinc/45/87/89/475458789.db2.gz DFTUTEQUOLMXSK-UHFFFAOYSA-N 0 0 346.412 2.855 10 5 EFBERN CCc1nn(C)c(NCC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000354850224 475459285 /nfs/dbraw/zinc/45/92/85/475459285.db2.gz OPXWTRNLKQCDQC-LLVKDONJSA-N 0 0 332.360 2.533 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc(C)c1 ZINC000339750612 475469388 /nfs/dbraw/zinc/46/93/88/475469388.db2.gz OHMKRZNEMAGKPP-UHFFFAOYSA-N 0 0 336.369 2.737 10 5 EFBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000341979882 475470282 /nfs/dbraw/zinc/47/02/82/475470282.db2.gz YVCZWXVVEYLJHT-NSHDSACASA-N 0 0 330.315 2.664 10 5 EFBERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000337975616 475476711 /nfs/dbraw/zinc/47/67/11/475476711.db2.gz CVUHZWOROZAZKF-VXGBXAGGSA-N 0 0 345.399 2.567 10 5 EFBERN CC(C)(NC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000345818210 475479187 /nfs/dbraw/zinc/47/91/87/475479187.db2.gz ZHJLOTZCYWICNE-LLVKDONJSA-N 0 0 328.372 2.789 10 5 EFBERN Cc1cccc2[nH]c(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)nc21 ZINC000345849378 475505716 /nfs/dbraw/zinc/50/57/16/475505716.db2.gz FEOPJRDJJOHCRI-UHFFFAOYSA-N 0 0 328.303 2.849 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000342014914 475506267 /nfs/dbraw/zinc/50/62/67/475506267.db2.gz GJLFCZWIFYYBNS-NVXWUHKLSA-N 0 0 334.372 2.999 10 5 EFBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000296864209 475511400 /nfs/dbraw/zinc/51/14/00/475511400.db2.gz JLOQQHLTAWONJB-BDAKNGLRSA-N 0 0 331.294 2.980 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(COC)cs1 ZINC000348249878 475522921 /nfs/dbraw/zinc/52/29/21/475522921.db2.gz RZWXLQGCICRDRU-UHFFFAOYSA-N 0 0 337.357 2.849 10 5 EFBERN CCOc1ccccc1-c1noc(-c2nn(CC)cc2[N+](=O)[O-])n1 ZINC000345869197 475523148 /nfs/dbraw/zinc/52/31/48/475523148.db2.gz PBHFFDPMGIROGZ-UHFFFAOYSA-N 0 0 329.316 2.927 10 5 EFBERN C/C=C/C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000361536883 475528992 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ZINC000361645523 475625328 /nfs/dbraw/zinc/62/53/28/475625328.db2.gz DPLIDFIDDFXHKT-MRXNPFEDSA-N 0 0 343.383 2.570 10 5 EFBERN CC(C)c1nc([C@@H]2COCCN2Cc2csc([N+](=O)[O-])c2)no1 ZINC000355050006 475626077 /nfs/dbraw/zinc/62/60/77/475626077.db2.gz MHCMBJKDFQOZNA-NSHDSACASA-N 0 0 338.389 2.736 10 5 EFBERN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000342725159 475630886 /nfs/dbraw/zinc/63/08/86/475630886.db2.gz DJJSSAZIRBTCHY-OCCSQVGLSA-N 0 0 328.372 2.942 10 5 EFBERN O=C(c1cc[nH]c1C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000339955495 475639892 /nfs/dbraw/zinc/63/98/92/475639892.db2.gz NUZNQECBBGGYPL-GFCCVEGCSA-N 0 0 341.371 2.522 10 5 EFBERN Cc1ccc(NC(=O)NCc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000361671679 475650801 /nfs/dbraw/zinc/65/08/01/475650801.db2.gz VEUGTJNLCZUEID-UHFFFAOYSA-N 0 0 343.387 2.837 10 5 EFBERN COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000358402553 475651185 /nfs/dbraw/zinc/65/11/85/475651185.db2.gz PGSCOGDAIYODPO-NSHDSACASA-N 0 0 328.390 2.557 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2ccc3n[nH]cc3c2)c1[N+](=O)[O-] ZINC000339971680 475652078 /nfs/dbraw/zinc/65/20/78/475652078.db2.gz GQCMXOPVIKDZPE-UHFFFAOYSA-N 0 0 327.300 2.705 10 5 EFBERN CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000361683367 475660625 /nfs/dbraw/zinc/66/06/25/475660625.db2.gz AZTFHRPNDQSZGT-IRXDYDNUSA-N 0 0 343.358 2.909 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000346584226 475677628 /nfs/dbraw/zinc/67/76/28/475677628.db2.gz ISVCIUVWEJJSLW-UHFFFAOYSA-N 0 0 348.407 2.714 10 5 EFBERN CC(F)(F)CCCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000297258517 475679077 /nfs/dbraw/zinc/67/90/77/475679077.db2.gz SQGANMHTGQRXOY-UHFFFAOYSA-N 0 0 330.335 2.741 10 5 EFBERN Cc1cc(NC(=O)NCc2c3c(nn2C)CCCC3)ccc1[N+](=O)[O-] ZINC000361705985 475684018 /nfs/dbraw/zinc/68/40/18/475684018.db2.gz UXOIPZPMQCAFOU-UHFFFAOYSA-N 0 0 343.387 2.837 10 5 EFBERN COc1ccc(CNC(=O)c2oc(CC3CC3)nc2C)cc1[N+](=O)[O-] ZINC000355161750 475709925 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O=[N+]([O-])c1cc(F)c(N2CCC(c3nnc4n3CCC4)CC2)c(F)c1 ZINC000361794952 475759988 /nfs/dbraw/zinc/75/99/88/475759988.db2.gz AUQWJFQWNBUXND-UHFFFAOYSA-N 0 0 349.341 2.795 10 5 EFBERN Cc1ccc(C)c(CN(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000346685690 475764796 /nfs/dbraw/zinc/76/47/96/475764796.db2.gz JCJFPJRZXGRCED-UHFFFAOYSA-N 0 0 330.388 2.802 10 5 EFBERN Cn1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccc1=O ZINC000348572281 475765536 /nfs/dbraw/zinc/76/55/36/475765536.db2.gz FBVJCGVLZAAIFO-UHFFFAOYSA-N 0 0 341.245 2.565 10 5 EFBERN Cc1cc(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)on1 ZINC000343106309 475773791 /nfs/dbraw/zinc/77/37/91/475773791.db2.gz MVYBUBAHIVXOTQ-UHFFFAOYSA-N 0 0 347.374 2.950 10 5 EFBERN C[C@]12CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@H]1C2(F)F ZINC000358563855 475773837 /nfs/dbraw/zinc/77/38/37/475773837.db2.gz RCYVAJJRLYSHHO-OCCSQVGLSA-N 0 0 346.280 2.919 10 5 EFBERN Cc1cc(NC(=O)NC[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000338318137 475781246 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CN(CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C2CCC2)n1C ZINC000338349868 475812208 /nfs/dbraw/zinc/81/22/08/475812208.db2.gz OEFHPTHPWQUVKJ-UHFFFAOYSA-N 0 0 329.404 2.665 10 5 EFBERN O=C(NCCc1ccccc1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355308764 475815446 /nfs/dbraw/zinc/81/54/46/475815446.db2.gz HQPQWRASYUNSGM-UHFFFAOYSA-N 0 0 325.324 2.754 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)c2ccccc2)n1 ZINC000355312845 475818834 /nfs/dbraw/zinc/81/88/34/475818834.db2.gz NIGUWVWDKUKLNF-UHFFFAOYSA-N 0 0 326.312 2.768 10 5 EFBERN COCCN(Cc1cccnc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297618516 475830903 /nfs/dbraw/zinc/83/09/03/475830903.db2.gz WGLQEFULOLXRFK-UHFFFAOYSA-N 0 0 327.344 2.519 10 5 EFBERN CC(C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(F)(F)F ZINC000297646677 475843154 /nfs/dbraw/zinc/84/31/54/475843154.db2.gz BPSSQSODBRKWOG-UHFFFAOYSA-N 0 0 342.277 2.851 10 5 EFBERN COC1CCC(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000340200841 475852077 /nfs/dbraw/zinc/85/20/77/475852077.db2.gz 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ZINC000347198690 476167684 /nfs/dbraw/zinc/16/76/84/476167684.db2.gz XGJRTHMBMOFNRF-NSHDSACASA-N 0 0 344.165 2.658 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nc([C@@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000350404419 476169778 /nfs/dbraw/zinc/16/97/78/476169778.db2.gz TWIXMYAVMKTIEP-RISCZKNCSA-N 0 0 330.344 2.571 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C(=O)NCc2ccccc2)n1 ZINC000359079529 476171014 /nfs/dbraw/zinc/17/10/14/476171014.db2.gz BTJLLFIVGXRWHX-ZDUSSCGKSA-N 0 0 328.372 2.723 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(Cn3cncn3)cc2)n1 ZINC000359081658 476172964 /nfs/dbraw/zinc/17/29/64/476172964.db2.gz KDOSLJBIIPOVLA-UHFFFAOYSA-N 0 0 338.371 2.859 10 5 EFBERN CCCCNC(=O)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359082827 476172986 /nfs/dbraw/zinc/17/29/86/476172986.db2.gz NDUTVTFRSBYBMC-UHFFFAOYSA-N 0 0 334.420 2.739 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(CS(C)(=O)=O)c2)n1 ZINC000359082808 476173057 /nfs/dbraw/zinc/17/30/57/476173057.db2.gz MSOXZKXTGHSSLQ-UHFFFAOYSA-N 0 0 349.412 2.763 10 5 EFBERN Cc1cn(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nc1[N+](=O)[O-] ZINC000362329661 476175162 /nfs/dbraw/zinc/17/51/62/476175162.db2.gz HRKBCRICVAATJA-SMDDNHRTSA-N 0 0 339.779 2.892 10 5 EFBERN CC[C@@H](O)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347211253 476175388 /nfs/dbraw/zinc/17/53/88/476175388.db2.gz IWMXRGHTKQYNNT-LLVKDONJSA-N 0 0 346.181 2.640 10 5 EFBERN CO[C@@H]1CC[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353674944 476177440 /nfs/dbraw/zinc/17/74/40/476177440.db2.gz VFKHPCYSTCRRCO-IMJJTQAJSA-N 0 0 330.388 2.575 10 5 EFBERN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242855 476177773 /nfs/dbraw/zinc/17/77/73/476177773.db2.gz OZUVCCATPWSRIR-UHFFFAOYSA-N 0 0 349.293 2.584 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000347219271 476180167 /nfs/dbraw/zinc/18/01/67/476180167.db2.gz ABHYYXCLGSYHOS-AWEZNQCLSA-N 0 0 345.359 2.852 10 5 EFBERN Cn1ccnc1[C@H](NC[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000353678940 476181827 /nfs/dbraw/zinc/18/18/27/476181827.db2.gz FDBJJXZZQMWPRT-HZPDHXFCSA-N 0 0 344.415 2.965 10 5 EFBERN CCC[C@@H](O)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347223704 476183689 /nfs/dbraw/zinc/18/36/89/476183689.db2.gz RQYYTSNSQPHNEG-LLVKDONJSA-N 0 0 346.181 2.640 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nccn1CC(F)(F)F ZINC000340657008 476184756 /nfs/dbraw/zinc/18/47/56/476184756.db2.gz FLLZKUJKVKVUMF-UHFFFAOYSA-N 0 0 342.277 2.592 10 5 EFBERN CC(C)N(CCO)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347225645 476185386 /nfs/dbraw/zinc/18/53/86/476185386.db2.gz SRZVKUWYCNEYQJ-UHFFFAOYSA-N 0 0 346.181 2.592 10 5 EFBERN COC(=O)c1cc(-c2nc([C@](C)(OC)C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000350443543 476187117 /nfs/dbraw/zinc/18/71/17/476187117.db2.gz RXONCHHQRIDDBK-MRXNPFEDSA-N 0 0 347.327 2.703 10 5 EFBERN CCCCNC(=O)[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000359109267 476196226 /nfs/dbraw/zinc/19/62/26/476196226.db2.gz OBYLAIIBYBBHBP-AWEZNQCLSA-N 0 0 334.420 2.739 10 5 EFBERN CC(C)c1nnc2n1CCN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]2C ZINC000302574513 476197038 /nfs/dbraw/zinc/19/70/38/476197038.db2.gz RJAGBVCSSZLYIF-SNVBAGLBSA-N 0 0 346.347 2.799 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1CN1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000353705198 476204274 /nfs/dbraw/zinc/20/42/74/476204274.db2.gz BTZNCQCYSNRYRT-UHFFFAOYSA-N 0 0 349.431 2.825 10 5 EFBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000362376978 476204704 /nfs/dbraw/zinc/20/47/04/476204704.db2.gz WBTSFGFSHYSFBR-QFSBIZTOSA-N 0 0 346.387 2.634 10 5 EFBERN CO[C@@](C)(c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1)C1CC1 ZINC000350483780 476205509 /nfs/dbraw/zinc/20/55/09/476205509.db2.gz ZRZVADWJTYAYMX-MRXNPFEDSA-N 0 0 347.327 2.688 10 5 EFBERN Cn1c(C(=O)NC2(CCOCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000340690734 476208609 /nfs/dbraw/zinc/20/86/09/476208609.db2.gz MDVJAVBMIHYZQH-UHFFFAOYSA-N 0 0 343.383 2.803 10 5 EFBERN Cc1ccc(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1O ZINC000350491588 476211714 /nfs/dbraw/zinc/21/17/14/476211714.db2.gz GFNBWWONJVGREI-UHFFFAOYSA-N 0 0 326.312 2.568 10 5 EFBERN C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@H](C)O1 ZINC000353719972 476215640 /nfs/dbraw/zinc/21/56/40/476215640.db2.gz KINMIMIDWWAXPB-AGIUHOORSA-N 0 0 331.372 2.574 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@]2(C1)CCCOC2 ZINC000357085017 476218188 /nfs/dbraw/zinc/21/81/88/476218188.db2.gz DWGBDGBGBKTSND-QGZVFWFLSA-N 0 0 329.356 2.719 10 5 EFBERN Cc1noc(C(C)(C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000347270280 476219722 /nfs/dbraw/zinc/21/97/22/476219722.db2.gz DBCUSVSXEZPUOG-UHFFFAOYSA-N 0 0 338.751 2.913 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000340703143 476220168 /nfs/dbraw/zinc/22/01/68/476220168.db2.gz HJYWRNSELSZYMJ-UHFFFAOYSA-N 0 0 349.364 2.568 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000338838611 476226912 /nfs/dbraw/zinc/22/69/12/476226912.db2.gz CIULUOJCNCZAMK-UHTWSYAYSA-N 0 0 337.767 2.670 10 5 EFBERN Cc1ccc(NCCCNC(=O)[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1 ZINC000362420947 476233930 /nfs/dbraw/zinc/23/39/30/476233930.db2.gz GUDXVLWBBDQVEJ-HNNXBMFYSA-N 0 0 335.404 2.779 10 5 EFBERN Cc1ccc(NCCCNC(=O)[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])c1 ZINC000362420948 476234336 /nfs/dbraw/zinc/23/43/36/476234336.db2.gz GUDXVLWBBDQVEJ-OAHLLOKOSA-N 0 0 335.404 2.779 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](c4cccc(F)c4)C3)nn21 ZINC000362424097 476236425 /nfs/dbraw/zinc/23/64/25/476236425.db2.gz GETIAJBDQNPTMI-GFCCVEGCSA-N 0 0 327.319 2.771 10 5 EFBERN COC1(c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)CCOCC1 ZINC000350540887 476236632 /nfs/dbraw/zinc/23/66/32/476236632.db2.gz PQPRHQCANFUTSU-UHFFFAOYSA-N 0 0 347.371 2.956 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cscn2)no1 ZINC000350554814 476240783 /nfs/dbraw/zinc/24/07/83/476240783.db2.gz QTEZYBLMXJHNNJ-QMMMGPOBSA-N 0 0 345.340 2.592 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@@H]1C(F)F ZINC000336979347 476243253 /nfs/dbraw/zinc/24/32/53/476243253.db2.gz DEGHALYPPAFNRN-GFCCVEGCSA-N 0 0 334.344 2.544 10 5 EFBERN Cc1cnc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000357136933 476256514 /nfs/dbraw/zinc/25/65/14/476256514.db2.gz BKYASSRMUMQQEP-LLVKDONJSA-N 0 0 333.319 2.694 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1cccc2[nH]ccc21 ZINC000337002277 476257520 /nfs/dbraw/zinc/25/75/20/476257520.db2.gz UVGPSQPCKMDWIT-UHFFFAOYSA-N 0 0 345.380 2.597 10 5 EFBERN CO[C@H](c1noc(Cn2ccc([N+](=O)[O-])n2)n1)c1cccc(Cl)c1 ZINC000357139475 476257732 /nfs/dbraw/zinc/25/77/32/476257732.db2.gz GIRFUGJAEMOOBB-ZDUSSCGKSA-N 0 0 349.734 2.612 10 5 EFBERN C[C@@H]1COCC[C@@H]1c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000350592831 476258515 /nfs/dbraw/zinc/25/85/15/476258515.db2.gz JSMYKFHUXWRCOG-NEPJUHHUSA-N 0 0 332.360 2.772 10 5 EFBERN C[C@@H]1COCC[C@@H]1c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000350603969 476263665 /nfs/dbraw/zinc/26/36/65/476263665.db2.gz WFSVRXLEZINQJW-NEPJUHHUSA-N 0 0 332.360 2.754 10 5 EFBERN C[C@@H]1COCC[C@@H]1c1noc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000350609512 476265391 /nfs/dbraw/zinc/26/53/91/476265391.db2.gz KAKLFHCCSCCAPL-SCZZXKLOSA-N 0 0 333.300 2.514 10 5 EFBERN CO[C@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000357155025 476267462 /nfs/dbraw/zinc/26/74/62/476267462.db2.gz WJIDQITWLDAPQH-LBPRGKRZSA-N 0 0 349.734 2.768 10 5 EFBERN CC(C)c1ccc(CN(C)C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353782547 476268536 /nfs/dbraw/zinc/26/85/36/476268536.db2.gz UASYFKDQOVNKCO-CQSZACIVSA-N 0 0 340.445 2.585 10 5 EFBERN O=C(c1cnc2cnccc2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337030407 476272354 /nfs/dbraw/zinc/27/23/54/476272354.db2.gz CVOZZRKSUHGYRR-UHFFFAOYSA-N 0 0 334.335 2.737 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H](C)Oc2ccccc2)no1 ZINC000350645720 476279803 /nfs/dbraw/zinc/27/98/03/476279803.db2.gz MDCRRHUUWHXYBW-NSHDSACASA-N 0 0 343.343 2.865 10 5 EFBERN C[C@H]1CC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000357192395 476284057 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O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1COc2ccccc2C1 ZINC000362572118 476313294 /nfs/dbraw/zinc/31/32/94/476313294.db2.gz DSBITEPJDXVUKF-NSHDSACASA-N 0 0 348.305 2.535 10 5 EFBERN CO[C@@H](C)CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)C ZINC000353890172 476314070 /nfs/dbraw/zinc/31/40/70/476314070.db2.gz CFBLZQPYNYXBRC-ZDUSSCGKSA-N 0 0 346.387 2.666 10 5 EFBERN Cc1ccncc1CN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000353892741 476315482 /nfs/dbraw/zinc/31/54/82/476315482.db2.gz SHKAGNZABFZUQD-UHFFFAOYSA-N 0 0 328.372 2.682 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(C[C@@H](C)c2ccccc2)no1 ZINC000357282071 476315547 /nfs/dbraw/zinc/31/55/47/476315547.db2.gz IPVXONPTMDXIAS-LLVKDONJSA-N 0 0 327.344 2.877 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(/C=C/c3ncccc3C)n2)n1C ZINC000350931087 476315576 /nfs/dbraw/zinc/31/55/76/476315576.db2.gz YBVMDAKSSVZDHP-VOTSOKGWSA-N 0 0 326.316 2.561 10 5 EFBERN Cc1ccc2c(c1)CN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000360621098 476319275 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CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nnc2ccccn21 ZINC000353934477 476329387 /nfs/dbraw/zinc/32/93/87/476329387.db2.gz XLQALRWQIBWAMY-UHFFFAOYSA-N 0 0 340.343 2.522 10 5 EFBERN CC(C)C(=O)N1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000357321776 476330793 /nfs/dbraw/zinc/33/07/93/476330793.db2.gz GVBQKSPKMMEYIA-UHFFFAOYSA-N 0 0 343.387 2.597 10 5 EFBERN Cc1nn(C)cc1Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000351112507 476340753 /nfs/dbraw/zinc/34/07/53/476340753.db2.gz SOVVNHRDDPDRTP-UHFFFAOYSA-N 0 0 327.344 2.510 10 5 EFBERN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccs1 ZINC000357354830 476343358 /nfs/dbraw/zinc/34/33/58/476343358.db2.gz KCEOSDBSHYGBQZ-CYBMUJFWSA-N 0 0 334.353 2.609 10 5 EFBERN CO[C@H]1COCC[C@@H]1Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000351140005 476345607 /nfs/dbraw/zinc/34/56/07/476345607.db2.gz AZDGLQCWQMQMIT-RISCZKNCSA-N 0 0 333.344 2.547 10 5 EFBERN C[NH+](C)CCOc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351142717 476346687 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C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCOC1(C)C ZINC000452473737 476977537 /nfs/dbraw/zinc/97/75/37/476977537.db2.gz FHGBGMRXVMZTKA-RNCFNFMXSA-N 0 0 342.779 2.699 10 5 EFBERN COc1cc(CN[C@H](c2cnn(C)c2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000447377069 476985128 /nfs/dbraw/zinc/98/51/28/476985128.db2.gz YMQAABMAEBYGKJ-CYBMUJFWSA-N 0 0 344.293 2.730 10 5 EFBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]1C1CC1 ZINC000452505571 476987540 /nfs/dbraw/zinc/98/75/40/476987540.db2.gz XBRLKUKOTDWHBY-LBPRGKRZSA-N 0 0 325.162 2.982 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452505370 476987929 /nfs/dbraw/zinc/98/79/29/476987929.db2.gz SGBRSQNAQRUTSM-CRAIPNDOSA-N 0 0 344.342 2.535 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)n1 ZINC000410153534 476999111 /nfs/dbraw/zinc/99/91/11/476999111.db2.gz INOWAQICJNTWTH-JOCQHMNTSA-N 0 0 328.372 2.796 10 5 EFBERN Cc1cc(C)cc(CS(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000410135848 476999593 /nfs/dbraw/zinc/99/95/93/476999593.db2.gz OYNRPGQNHVABLN-UHFFFAOYSA-N 0 0 348.424 2.874 10 5 EFBERN CO[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)C ZINC000416059334 477006175 /nfs/dbraw/zinc/00/61/75/477006175.db2.gz KTOCRAVVVBKZET-LLVKDONJSA-N 0 0 330.331 2.593 10 5 EFBERN CCOc1ccc(C(=O)NCCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000452594788 477012335 /nfs/dbraw/zinc/01/23/35/477012335.db2.gz JIONKYFNUZSUPT-UHFFFAOYSA-N 0 0 336.388 2.930 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452601748 477013293 /nfs/dbraw/zinc/01/32/93/477013293.db2.gz WMSMZTWTSHHRJT-BBWFWOEESA-N 0 0 332.400 2.679 10 5 EFBERN CCCc1n[nH]c(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000452603464 477014373 /nfs/dbraw/zinc/01/43/73/477014373.db2.gz JFMFYQLJASIRRQ-QLQJRFMMSA-N 0 0 330.388 2.555 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1OCCc2ccccc21 ZINC000370897805 477025818 /nfs/dbraw/zinc/02/58/18/477025818.db2.gz JPHJSIPGEYFMIF-QGZVFWFLSA-N 0 0 326.352 2.947 10 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/nfs/dbraw/zinc/04/27/70/477042770.db2.gz UJLHUEOZIVNWGE-GFCCVEGCSA-N 0 0 345.252 2.948 10 5 EFBERN CCc1n[nH]c(C(=O)NCc2cc(F)c(Cl)cc2F)c1[N+](=O)[O-] ZINC000447743891 477047008 /nfs/dbraw/zinc/04/70/08/477047008.db2.gz ILOMHJYIKUFMAZ-UHFFFAOYSA-N 0 0 344.705 2.742 10 5 EFBERN Cc1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2C)no1 ZINC000370952718 477054237 /nfs/dbraw/zinc/05/42/37/477054237.db2.gz CFZBJXKOTIIFCM-CQSZACIVSA-N 0 0 330.344 2.962 10 5 EFBERN COc1c(F)cc(S(=O)(=O)NC(C)(C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000431591888 477057797 /nfs/dbraw/zinc/05/77/97/477057797.db2.gz IVVBISYQPCPVBN-UHFFFAOYSA-N 0 0 348.396 2.846 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C(C)(C)C ZINC000431595112 477058798 /nfs/dbraw/zinc/05/87/98/477058798.db2.gz HYULDSQZQDZCMB-UHFFFAOYSA-N 0 0 330.406 2.706 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H](c2ccco2)c2ccccc2)c1[N+](=O)[O-] ZINC000366543311 477060062 /nfs/dbraw/zinc/06/00/62/477060062.db2.gz HDWNBVYRQOVZCY-AWEZNQCLSA-N 0 0 340.339 2.993 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000366557000 477066632 /nfs/dbraw/zinc/06/66/32/477066632.db2.gz IFRMNDGEJFGWSM-MEBBXXQBSA-N 0 0 347.396 2.792 10 5 EFBERN CC[C@@](C)(CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)OC ZINC000452740970 477066982 /nfs/dbraw/zinc/06/69/82/477066982.db2.gz OCGDXARGEJWQNQ-AWEZNQCLSA-N 0 0 332.303 2.741 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000366556999 477067142 /nfs/dbraw/zinc/06/71/42/477067142.db2.gz IFRMNDGEJFGWSM-BONVTDFDSA-N 0 0 347.396 2.792 10 5 EFBERN O=C(c1cc2ccccc2c2cccnc12)N1CCN2CCOC[C@H]2C1 ZINC000375894581 477068197 /nfs/dbraw/zinc/06/81/97/477068197.db2.gz YWEOEPQJYJHVNN-MRXNPFEDSA-N 0 0 347.418 2.545 10 5 EFBERN CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000410877889 477070914 /nfs/dbraw/zinc/07/09/14/477070914.db2.gz DNKQHUKAAQBJEG-SNVBAGLBSA-N 0 0 332.278 2.865 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2CC2CCC2)c1 ZINC000410998275 477087536 /nfs/dbraw/zinc/08/75/36/477087536.db2.gz QBJMEUHPMRWJHM-CYBMUJFWSA-N 0 0 334.372 2.635 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC(C3CCOCC3)CC2)c2nonc21 ZINC000366602813 477092658 /nfs/dbraw/zinc/09/26/58/477092658.db2.gz VBRVJQVTLBXRBL-UHFFFAOYSA-N 0 0 332.360 2.774 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(CF)CCOCC1 ZINC000452818429 477095095 /nfs/dbraw/zinc/09/50/95/477095095.db2.gz XEXQIPHMRHRTSV-UHFFFAOYSA-N 0 0 349.362 2.501 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000366641442 477109460 /nfs/dbraw/zinc/10/94/60/477109460.db2.gz VAPACPGLFGBPTK-SFHVURJKSA-N 0 0 344.367 2.883 10 5 EFBERN CNc1c(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452861183 477110371 /nfs/dbraw/zinc/11/03/71/477110371.db2.gz YEHIAZKDDMIZHX-IUODEOHRSA-N 0 0 335.404 2.818 10 5 EFBERN Cc1ccc(Cl)c2c1N(C(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000411099453 477112586 /nfs/dbraw/zinc/11/25/86/477112586.db2.gz ZSXVCMXKQITQCU-UHFFFAOYSA-N 0 0 334.763 2.883 10 5 EFBERN C[C@H](Cc1cccc(F)c1)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000411109006 477115941 /nfs/dbraw/zinc/11/59/41/477115941.db2.gz FMQJWMSXHDFXID-GFCCVEGCSA-N 0 0 348.378 2.755 10 5 EFBERN Cc1cc(OCC(=O)N2CC3CC2(C(F)(F)F)C3)ccc1[N+](=O)[O-] ZINC000411111631 477116785 /nfs/dbraw/zinc/11/67/85/477116785.db2.gz HKCUPDPVXLGQDG-UHFFFAOYSA-N 0 0 344.289 2.835 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC2CC1(C(F)(F)F)C2 ZINC000411113212 477117154 /nfs/dbraw/zinc/11/71/54/477117154.db2.gz KPPJTONMPVHSTO-UHFFFAOYSA-N 0 0 340.261 2.638 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC(F)(F)C[C@@H]1CO ZINC000366677728 477128047 /nfs/dbraw/zinc/12/80/47/477128047.db2.gz FRHRKENBYRCXSC-CYBMUJFWSA-N 0 0 330.331 2.584 10 5 EFBERN O=C(c1cc2c([nH]1)CCOC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457663227 477130533 /nfs/dbraw/zinc/13/05/33/477130533.db2.gz HLOZERLAHKUPOS-UHFFFAOYSA-N 0 0 341.367 2.800 10 5 EFBERN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)[C@@H](C)CO1 ZINC000448150608 477137623 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CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000376422005 477327248 /nfs/dbraw/zinc/32/72/48/477327248.db2.gz AWPXXZOMSAKYDG-LXIYXOSZSA-N 0 0 348.399 2.960 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1F ZINC000448888071 477328064 /nfs/dbraw/zinc/32/80/64/477328064.db2.gz VEGCBFJPHBIIPS-QMMMGPOBSA-N 0 0 339.348 2.998 10 5 EFBERN COc1cc(CC2CN(c3ccc(N)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000376451271 477341429 /nfs/dbraw/zinc/34/14/29/477341429.db2.gz VUMWUJFZWHZYSN-UHFFFAOYSA-N 0 0 343.383 2.873 10 5 EFBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458331343 477355840 /nfs/dbraw/zinc/35/58/40/477355840.db2.gz KHJVNHWUWQLKID-STQMWFEESA-N 0 0 341.392 2.987 10 5 EFBERN Cc1cc(OCC(=O)NC[C@@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000435757955 477365066 /nfs/dbraw/zinc/36/50/66/477365066.db2.gz DIHHBHPZLCEAMA-KRWDZBQOSA-N 0 0 338.404 2.585 10 5 EFBERN CCn1ccnc1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000454765298 477367288 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Cc1ccc(NCCCNC(=O)N2CC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000458413498 477401948 /nfs/dbraw/zinc/40/19/48/477401948.db2.gz GESJAHVHGIEBJT-OAHLLOKOSA-N 0 0 332.404 2.899 10 5 EFBERN CC1=C[C@H](C)CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000436002994 477405394 /nfs/dbraw/zinc/40/53/94/477405394.db2.gz LDFAJDXEYAUSOL-LBPRGKRZSA-N 0 0 341.367 2.946 10 5 EFBERN C[C@@H]1C[C@]2(CCO1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000376584920 477416427 /nfs/dbraw/zinc/41/64/27/477416427.db2.gz DGVFYKLPULYBQD-IIYDPXPESA-N 0 0 349.387 2.785 10 5 EFBERN CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@]2(CCOC2)O1 ZINC000376587775 477417331 /nfs/dbraw/zinc/41/73/31/477417331.db2.gz SJVWVFLHXOQTCQ-DYVFJYSZSA-N 0 0 349.387 2.705 10 5 EFBERN CCCc1ncc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000412395882 477421468 /nfs/dbraw/zinc/42/14/68/477421468.db2.gz SYQHYOREGPMPSZ-LSDHHAIUSA-N 0 0 329.356 2.955 10 5 EFBERN Cc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cnc1C)CCO2 ZINC000367279679 477428524 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EFBERN COc1ccc(NC(=O)Nc2ccc(O)c(OC)c2)cc1[N+](=O)[O-] ZINC000436379323 477471281 /nfs/dbraw/zinc/47/12/81/477471281.db2.gz PWZYXMLSZZRZBB-UHFFFAOYSA-N 0 0 333.300 2.962 10 5 EFBERN CC[C@@H](NC(=O)NCCc1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000455074238 477488446 /nfs/dbraw/zinc/48/84/46/477488446.db2.gz MTTDLDSPSHEDLV-OAHLLOKOSA-N 0 0 343.387 2.686 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2CCNC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367391765 477489295 /nfs/dbraw/zinc/48/92/95/477489295.db2.gz HQZWPZJMWVPSCZ-CYBMUJFWSA-N 0 0 341.358 2.571 10 5 EFBERN Cc1cc(NC(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000455086582 477494298 /nfs/dbraw/zinc/49/42/98/477494298.db2.gz UWQNVIPCEXWOOH-CABZTGNLSA-N 0 0 347.293 2.680 10 5 EFBERN COCC[N@@H+]1CCC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413116876 477528737 /nfs/dbraw/zinc/52/87/37/477528737.db2.gz ICPJNMGTJPUTDN-OAHLLOKOSA-N 0 0 330.388 2.666 10 5 EFBERN COC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000455176575 477531640 /nfs/dbraw/zinc/53/16/40/477531640.db2.gz XXDFGXACJAMVKU-LBPRGKRZSA-N 0 0 337.376 2.884 10 5 EFBERN CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000413128460 477535666 /nfs/dbraw/zinc/53/56/66/477535666.db2.gz AFXXMAUNOIQLCY-CQSZACIVSA-N 0 0 348.309 2.510 10 5 EFBERN C[C@H](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[S@@](C)=O ZINC000413192404 477563397 /nfs/dbraw/zinc/56/33/97/477563397.db2.gz IQMRGDPSFJSDMW-WODJRTHDSA-N 0 0 325.312 2.578 10 5 EFBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ncc([N+](=O)[O-])cc1F ZINC000413193602 477564092 /nfs/dbraw/zinc/56/40/92/477564092.db2.gz AQEHWEPXMGNZKG-UHFFFAOYSA-N 0 0 333.245 2.518 10 5 EFBERN CC[C@H](NC(=O)C(=O)c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000436707237 477565893 /nfs/dbraw/zinc/56/58/93/477565893.db2.gz XGAYDPWYACPJST-HNNXBMFYSA-N 0 0 328.324 2.751 10 5 EFBERN COc1cccc([C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCO2)c1 ZINC000413198052 477565965 /nfs/dbraw/zinc/56/59/65/477565965.db2.gz PPJYTEHFNBWLBB-OAHLLOKOSA-N 0 0 333.319 2.715 10 5 EFBERN Cc1c(Br)cc(C(=O)N[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424971070 477579170 /nfs/dbraw/zinc/57/91/70/477579170.db2.gz NXWJLYWWXQJQKR-NSHDSACASA-N 0 0 325.162 2.948 10 5 EFBERN O=[N+]([O-])c1ccc2ccnc(NCCc3nnc4n3CCCC4)c2c1 ZINC000413230021 477579444 /nfs/dbraw/zinc/57/94/44/477579444.db2.gz KLEUTGLKFPNALW-UHFFFAOYSA-N 0 0 338.371 2.725 10 5 EFBERN Cc1nn(C)c(C)c1CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413240516 477584904 /nfs/dbraw/zinc/58/49/04/477584904.db2.gz ZNDOZVVQFDUYOA-UHFFFAOYSA-N 0 0 339.399 2.960 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1COc1ccccc1 ZINC000372008220 477596751 /nfs/dbraw/zinc/59/67/51/477596751.db2.gz BBYPJINRLZAMBX-AWEZNQCLSA-N 0 0 327.340 2.673 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC000425012256 477599959 /nfs/dbraw/zinc/59/99/59/477599959.db2.gz RNWSEIGHUXBPLS-LRDDRELGSA-N 0 0 332.335 2.638 10 5 EFBERN CN(CC(=O)N[C@H]1C[C@@]1(F)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000425014565 477600452 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ZINC000600519257 478398386 /nfs/dbraw/zinc/39/83/86/478398386.db2.gz CBLNOVNRUMGJFN-UKPHBRMFSA-N 0 0 332.400 2.847 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000600519256 478398491 /nfs/dbraw/zinc/39/84/91/478398491.db2.gz CBLNOVNRUMGJFN-KMFMINBZSA-N 0 0 332.400 2.847 10 5 EFBERN CC1(C)CC(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000600520477 478400286 /nfs/dbraw/zinc/40/02/86/478400286.db2.gz PLGQTNPVCBHNMN-KRWDZBQOSA-N 0 0 331.372 2.798 10 5 EFBERN O=C(Cn1cccc([N+](=O)[O-])c1=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600522955 478400491 /nfs/dbraw/zinc/40/04/91/478400491.db2.gz KTWIJRFNEJSXIA-UWVGGRQHSA-N 0 0 332.278 2.694 10 5 EFBERN CC(C)(C(=O)N[C@@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600522997 478401113 /nfs/dbraw/zinc/40/11/13/478401113.db2.gz SZGIUEGSLQDKRL-NHYWBVRUSA-N 0 0 336.363 2.695 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1OCCOC1CCOCC1 ZINC000600525475 478401651 /nfs/dbraw/zinc/40/16/51/478401651.db2.gz 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CC(C)c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)n1C ZINC000600537457 478405308 /nfs/dbraw/zinc/40/53/08/478405308.db2.gz NAJIHQOFJMUXMV-UHFFFAOYSA-N 0 0 338.364 2.961 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)CC(C)(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000600539125 478405870 /nfs/dbraw/zinc/40/58/70/478405870.db2.gz YGAMYMIFOCCFBC-SFHVURJKSA-N 0 0 348.399 2.926 10 5 EFBERN COC(=O)[C@](C)(NC(=O)[C@H]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000600537522 478405933 /nfs/dbraw/zinc/40/59/33/478405933.db2.gz OKCJJPWUPLPXHB-RDTXWAMCSA-N 0 0 348.399 2.926 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CCCc3cccnc32)c1[N+](=O)[O-] ZINC000594484695 478406354 /nfs/dbraw/zinc/40/63/54/478406354.db2.gz KMNYGHYNMJWZRU-UHFFFAOYSA-N 0 0 347.396 2.748 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCc3cccnc32)cc1C ZINC000594483348 478406487 /nfs/dbraw/zinc/40/64/87/478406487.db2.gz AQGBPPBJLKSFKQ-UHFFFAOYSA-N 0 0 347.396 2.748 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000600540186 478406564 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CCOC[C@@H]1CCCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590971083 478422735 /nfs/dbraw/zinc/42/27/35/478422735.db2.gz NAGUVOZLGHMYTL-HNNXBMFYSA-N 0 0 336.388 2.772 10 5 EFBERN Cc1ncc2c(n1)CC[C@@H](Nc1nc3c(cc1[N+](=O)[O-])CCCC3)C2 ZINC000563037392 478425839 /nfs/dbraw/zinc/42/58/39/478425839.db2.gz ATXWQLORRIWXJP-CQSZACIVSA-N 0 0 339.399 2.936 10 5 EFBERN CC1(C)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[S@]1=O ZINC000581722775 478428138 /nfs/dbraw/zinc/42/81/38/478428138.db2.gz BKZYFSFTDFKDDH-HSZRJFAPSA-N 0 0 337.445 2.606 10 5 EFBERN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccncc1)C(=O)[O-] ZINC000594540205 478429064 /nfs/dbraw/zinc/42/90/64/478429064.db2.gz QRAATBNQDLXJOR-CJNGLKHVSA-N 0 0 343.383 2.596 10 5 EFBERN O=C(NC/C=C/c1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000539737692 478429202 /nfs/dbraw/zinc/42/92/02/478429202.db2.gz NLJULWSNCWGOQY-QPJJXVBHSA-N 0 0 340.335 2.809 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ccn1Cc1nc(C2CCCC2)no1 ZINC000581726259 478429578 /nfs/dbraw/zinc/42/95/78/478429578.db2.gz FSVBBUUSYZOJLT-UHFFFAOYSA-N 0 0 340.339 2.999 10 5 EFBERN O=C(c1cccc(OC(F)F)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000539781011 478434706 /nfs/dbraw/zinc/43/47/06/478434706.db2.gz LJWWVOWVLNQHLQ-UHFFFAOYSA-N 0 0 349.293 2.790 10 5 EFBERN Cc1cc(OCC(=O)NC[C@@H]2C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000597618855 478437778 /nfs/dbraw/zinc/43/77/78/478437778.db2.gz WBYKIVRLNVWGQE-HOCLYGCPSA-N 0 0 341.367 2.597 10 5 EFBERN CCn1nc(C)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600603633 478438313 /nfs/dbraw/zinc/43/83/13/478438313.db2.gz NVHODFOHIKARMF-UHFFFAOYSA-N 0 0 343.387 2.972 10 5 EFBERN CCn1nc(C)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600606951 478439570 /nfs/dbraw/zinc/43/95/70/478439570.db2.gz ARTVLPSYMVTZSV-UHFFFAOYSA-N 0 0 327.344 2.782 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c(C2CCC2)cnn1C ZINC000597626894 478439850 /nfs/dbraw/zinc/43/98/50/478439850.db2.gz KBEJQHXEIPNSEW-UHFFFAOYSA-N 0 0 342.399 2.911 10 5 EFBERN Cc1ccn([C@H](C)CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000597627260 478440448 /nfs/dbraw/zinc/44/04/48/478440448.db2.gz LWUJNIGIRBYBNK-CQSZACIVSA-N 0 0 330.388 2.752 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](OCc2ccccn2)C1 ZINC000594565276 478440605 /nfs/dbraw/zinc/44/06/05/478440605.db2.gz WABBXSSXLGKHGD-CQSZACIVSA-N 0 0 329.356 2.794 10 5 EFBERN CCO[C@@H](CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CC1 ZINC000600637703 478450503 /nfs/dbraw/zinc/45/05/03/478450503.db2.gz MVIXQIRBSNNRIS-ZDUSSCGKSA-N 0 0 345.442 2.906 10 5 EFBERN C[C@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCO1 ZINC000597659343 478451030 /nfs/dbraw/zinc/45/10/30/478451030.db2.gz NMOYFZGFUKMZIZ-PXAZEXFGSA-N 0 0 345.399 2.940 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](OC3CCC3)C2)c1 ZINC000594593846 478453959 /nfs/dbraw/zinc/45/39/59/478453959.db2.gz DZJPFQMMMSNFHS-AWEZNQCLSA-N 0 0 334.372 2.919 10 5 EFBERN CCOC1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000597668967 478457456 /nfs/dbraw/zinc/45/74/56/478457456.db2.gz ZOPKDQNAWWXCGV-UHFFFAOYSA-N 0 0 331.372 2.694 10 5 EFBERN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000594600572 478458704 /nfs/dbraw/zinc/45/87/04/478458704.db2.gz RZDPWYUHHGHVEP-AWEZNQCLSA-N 0 0 344.371 2.750 10 5 EFBERN Nc1cc(N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc(CO)c1[N+](=O)[O-] ZINC000594599372 478459055 /nfs/dbraw/zinc/45/90/55/478459055.db2.gz JONLXFPTGBWQIR-ZYHUDNBSSA-N 0 0 349.309 2.581 10 5 EFBERN COc1cccc(C(=O)NCc2oc(C(C)C)nc2C)c1[N+](=O)[O-] ZINC000597684764 478461470 /nfs/dbraw/zinc/46/14/70/478461470.db2.gz MMUIYWNAOWTTFK-UHFFFAOYSA-N 0 0 333.344 2.953 10 5 EFBERN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594603246 478461934 /nfs/dbraw/zinc/46/19/34/478461934.db2.gz SJQANOOMENNYSG-IUODEOHRSA-N 0 0 342.417 2.758 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000600673264 478462591 /nfs/dbraw/zinc/46/25/91/478462591.db2.gz BBGPVKNQBQMBBC-KKUMJFAQSA-N 0 0 334.372 2.679 10 5 EFBERN Cc1n[nH]c(C(=O)NCc2csc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000600680705 478466745 /nfs/dbraw/zinc/46/67/45/478466745.db2.gz DLTIDFUGJZUHNK-UHFFFAOYSA-N 0 0 334.279 2.637 10 5 EFBERN CCOc1cc(CN2Cc3ccccc3S2(=O)=O)ccc1[N+](=O)[O-] ZINC000600681582 478466936 /nfs/dbraw/zinc/46/69/36/478466936.db2.gz YIMNQJZACRXSIX-UHFFFAOYSA-N 0 0 348.380 2.698 10 5 EFBERN CCCCOCCCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600680066 478467126 /nfs/dbraw/zinc/46/71/26/478467126.db2.gz CQHWTWAIUILSFL-QGZVFWFLSA-N 0 0 349.387 2.569 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C(C2CC2)C2CC2)C1=O ZINC000600684543 478468717 /nfs/dbraw/zinc/46/87/17/478468717.db2.gz NULHZNBLZKVWPL-QGZVFWFLSA-N 0 0 329.356 2.550 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@H]2CC=CCC2)C1=O ZINC000600687301 478469697 /nfs/dbraw/zinc/46/96/97/478469697.db2.gz LAFXNPXQOSRGOC-SJCJKPOMSA-N 0 0 329.356 2.718 10 5 EFBERN C[C@@H](C1CCCC1)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600693221 478472717 /nfs/dbraw/zinc/47/27/17/478472717.db2.gz FLWZFYSQDYRVGO-APPDUMDISA-N 0 0 331.372 2.941 10 5 EFBERN C[C@H]1CC[C@H](N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000600696732 478472876 /nfs/dbraw/zinc/47/28/76/478472876.db2.gz QUTANEHLGVSXAT-CJBNDPTMSA-N 0 0 331.372 2.941 10 5 EFBERN CC1(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCCC1 ZINC000600696049 478472956 /nfs/dbraw/zinc/47/29/56/478472956.db2.gz OXDLIYKSADLQAC-QGZVFWFLSA-N 0 0 331.372 2.942 10 5 EFBERN C[C@H](CCC1CC1)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600698162 478474250 /nfs/dbraw/zinc/47/42/50/478474250.db2.gz VFNSXHXDUXOXAW-PIGZYNQJSA-N 0 0 331.372 2.941 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@@H]2CCCCS2)C1=O ZINC000600698110 478474626 /nfs/dbraw/zinc/47/46/26/478474626.db2.gz UVKGOKQSWVIVDO-BBRMVZONSA-N 0 0 349.412 2.648 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000600703858 478475192 /nfs/dbraw/zinc/47/51/92/478475192.db2.gz LMJSZHWHNXLOAD-RRFJBIMHSA-N 0 0 347.371 2.790 10 5 EFBERN CC[C@H](CSC)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703607 478475309 /nfs/dbraw/zinc/47/53/09/478475309.db2.gz SWIVRTGDJDNWLX-IAQYHMDHSA-N 0 0 337.401 2.503 10 5 EFBERN O=C(C1CCCCC1)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591149830 478475599 /nfs/dbraw/zinc/47/55/99/478475599.db2.gz JEHVBPLKRMOSQE-LBPRGKRZSA-N 0 0 336.367 2.722 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H](C2CC2)C2CCC2)C1=O ZINC000600709876 478478304 /nfs/dbraw/zinc/47/83/04/478478304.db2.gz ZDZBYYDMNLQQBN-CRAIPNDOSA-N 0 0 343.383 2.941 10 5 EFBERN O=C([C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1)N1CCCCC1 ZINC000591158006 478478537 /nfs/dbraw/zinc/47/85/37/478478537.db2.gz MIJMUTZMWLGOMF-NEPJUHHUSA-N 0 0 336.367 2.722 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCC[C@@H]3C[C@@H]32)C1=O ZINC000600709419 478479235 /nfs/dbraw/zinc/47/92/35/478479235.db2.gz XVTLHLLWBXJVDS-USJXKXFVSA-N 0 0 329.356 2.550 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2ccc(COC)c(OC)c2)c1[N+](=O)[O-] ZINC000600708729 478479507 /nfs/dbraw/zinc/47/95/07/478479507.db2.gz MWSXELNTTPPOGP-UHFFFAOYSA-N 0 0 348.359 2.678 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000597728377 478482781 /nfs/dbraw/zinc/48/27/81/478482781.db2.gz UNNNUZQCMWQATJ-MRXNPFEDSA-N 0 0 339.351 2.786 10 5 EFBERN C[C@@H](C(=O)N1CCC[C@@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000597729518 478484275 /nfs/dbraw/zinc/48/42/75/478484275.db2.gz KMYAARRKJWJTAA-MEBBXXQBSA-N 0 0 332.335 2.924 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597729986 478484356 /nfs/dbraw/zinc/48/43/56/478484356.db2.gz UHVMZBRHXRPQEQ-MRXNPFEDSA-N 0 0 339.355 2.705 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729231 478484594 /nfs/dbraw/zinc/48/45/94/478484594.db2.gz FWHRFZDOYSKCGV-ZDUSSCGKSA-N 0 0 325.328 2.777 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@H](C2CCC2)C1 ZINC000591186029 478485832 /nfs/dbraw/zinc/48/58/32/478485832.db2.gz GCACJHZVPNWHDB-LBPRGKRZSA-N 0 0 342.193 2.758 10 5 EFBERN COc1cccc([C@@H]2C[C@H]2CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000591198400 478487937 /nfs/dbraw/zinc/48/79/37/478487937.db2.gz FJMGOFNTFJLFLM-LRDDRELGSA-N 0 0 343.383 2.894 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cscn1 ZINC000570957993 478489884 /nfs/dbraw/zinc/48/98/84/478489884.db2.gz FMZKLONIOXSWKD-UHFFFAOYSA-N 0 0 341.414 2.651 10 5 EFBERN O=C(Cc1cccc(Cl)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540880649 478499131 /nfs/dbraw/zinc/49/91/31/478499131.db2.gz GXZKRSOWOLREOK-UHFFFAOYSA-N 0 0 331.759 2.771 10 5 EFBERN COC(=O)c1cc(NCCO[C@@H]2CC2(F)F)c(C)c([N+](=O)[O-])c1 ZINC000594708345 478506078 /nfs/dbraw/zinc/50/60/78/478506078.db2.gz TZFAFJMUUUFITH-GFCCVEGCSA-N 0 0 330.287 2.526 10 5 EFBERN COC(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)cc([N+](=O)[O-])c1 ZINC000600761221 478508687 /nfs/dbraw/zinc/50/86/87/478508687.db2.gz WXLNWOGFUGHHQA-GUYCJALGSA-N 0 0 332.356 2.786 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(Cc3cccs3)C2)c1 ZINC000600764887 478510973 /nfs/dbraw/zinc/51/09/73/478510973.db2.gz VIZHFVOETKSCHY-UHFFFAOYSA-N 0 0 332.381 2.980 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600773003 478513765 /nfs/dbraw/zinc/51/37/65/478513765.db2.gz LVYPWZLMENLNLL-HNNXBMFYSA-N 0 0 326.352 2.859 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600773004 478514328 /nfs/dbraw/zinc/51/43/28/478514328.db2.gz LVYPWZLMENLNLL-OAHLLOKOSA-N 0 0 326.352 2.859 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600776150 478515368 /nfs/dbraw/zinc/51/53/68/478515368.db2.gz PMFCOCAHKYFOSD-CYBMUJFWSA-N 0 0 342.351 2.939 10 5 EFBERN CNc1c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC000600778350 478515728 /nfs/dbraw/zinc/51/57/28/478515728.db2.gz YTNVCNHPVMITLH-CYBMUJFWSA-N 0 0 341.367 2.972 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600792408 478524416 /nfs/dbraw/zinc/52/44/16/478524416.db2.gz CWRYQQTWAUAKNW-ZEGGKSINSA-N 0 0 344.289 2.599 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1 ZINC000594741773 478525253 /nfs/dbraw/zinc/52/52/53/478525253.db2.gz GDBRDHDGGDTMIE-CYBMUJFWSA-N 0 0 333.369 2.516 10 5 EFBERN Cn1c(C(=O)NCc2ccccc2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000600797306 478525319 /nfs/dbraw/zinc/52/53/19/478525319.db2.gz KJAHZHAXPHVCFB-UHFFFAOYSA-N 0 0 341.289 2.968 10 5 EFBERN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H](CCc1ccccc1)C(F)F ZINC000600795323 478525687 /nfs/dbraw/zinc/52/56/87/478525687.db2.gz XOPSCZMXGWVSCE-GFCCVEGCSA-N 0 0 338.314 2.656 10 5 EFBERN COC(=O)c1cc(C(=O)NC[C@H]2CCCC23CC3)cc([N+](=O)[O-])c1 ZINC000600801327 478526183 /nfs/dbraw/zinc/52/61/83/478526183.db2.gz IRSVLVJFFWKEOU-CYBMUJFWSA-N 0 0 332.356 2.692 10 5 EFBERN Cc1ccc([C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C2CC2)cc1 ZINC000594743404 478526322 /nfs/dbraw/zinc/52/63/22/478526322.db2.gz UHUOUPZNTXJQLA-HNNXBMFYSA-N 0 0 347.396 2.728 10 5 EFBERN CC(C)c1ccc(CC[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594746153 478527141 /nfs/dbraw/zinc/52/71/41/478527141.db2.gz ZOPUIPAHYSTAJX-UHFFFAOYSA-N 0 0 349.412 2.634 10 5 EFBERN C/C=C\C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600807748 478529141 /nfs/dbraw/zinc/52/91/41/478529141.db2.gz VWTQVHMTNNFXIS-PYLYLYNFSA-N 0 0 345.399 2.529 10 5 EFBERN CC(C)c1ccc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594751020 478529898 /nfs/dbraw/zinc/52/98/98/478529898.db2.gz UBUMCBFZANWDPW-UHFFFAOYSA-N 0 0 335.385 2.592 10 5 EFBERN CC(C)N(Cc1cccs1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594749889 478529960 /nfs/dbraw/zinc/52/99/60/478529960.db2.gz CXKYYEGQEVNHGP-UHFFFAOYSA-N 0 0 341.414 2.651 10 5 EFBERN C/C=C\C[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600807749 478529997 /nfs/dbraw/zinc/52/99/97/478529997.db2.gz VWTQVHMTNNFXIS-SFAKSCPVSA-N 0 0 345.399 2.529 10 5 EFBERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594758438 478532569 /nfs/dbraw/zinc/53/25/69/478532569.db2.gz RGJFQDRFUPZMMB-RYUDHWBXSA-N 0 0 349.412 2.952 10 5 EFBERN CCC[C@@]1(C)CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594757137 478532819 /nfs/dbraw/zinc/53/28/19/478532819.db2.gz MGPNWTZRFUWCAZ-AWEZNQCLSA-N 0 0 327.406 2.581 10 5 EFBERN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594756488 478533401 /nfs/dbraw/zinc/53/34/01/478533401.db2.gz YARJLRYRJZZQIY-CQSZACIVSA-N 0 0 347.396 2.824 10 5 EFBERN CCC[C@H]1[C@H](C)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759480 478533413 /nfs/dbraw/zinc/53/34/13/478533413.db2.gz OHYUMKFSKUULTD-NEPJUHHUSA-N 0 0 327.406 2.579 10 5 EFBERN CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764120 478534074 /nfs/dbraw/zinc/53/40/74/478534074.db2.gz HBKXOALJHXDCAO-LBPRGKRZSA-N 0 0 327.406 2.579 10 5 EFBERN CC[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760673 478534459 /nfs/dbraw/zinc/53/44/59/478534459.db2.gz VLPAGYJWZCKTMR-CQSZACIVSA-N 0 0 349.412 2.632 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NCCC1=CCCC1 ZINC000594765881 478535556 /nfs/dbraw/zinc/53/55/56/478535556.db2.gz RJFIXAMNQSMCCO-UHFFFAOYSA-N 0 0 347.396 2.922 10 5 EFBERN C[C@@H](C1CCCCC1)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772406 478536981 /nfs/dbraw/zinc/53/69/81/478536981.db2.gz XPUDORQATRKQBT-NSHDSACASA-N 0 0 327.406 2.579 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1cccnc1)C(C)(C)CO ZINC000597845159 478537357 /nfs/dbraw/zinc/53/73/57/478537357.db2.gz GZLNDTILWZHOAC-INIZCTEOSA-N 0 0 343.383 2.788 10 5 EFBERN C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000594777204 478538285 /nfs/dbraw/zinc/53/82/85/478538285.db2.gz WDCCMXVEEVKYAX-NSHDSACASA-N 0 0 347.396 2.907 10 5 EFBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594782572 478540267 /nfs/dbraw/zinc/54/02/67/478540267.db2.gz BVBNOJDNCMPXKI-UHFFFAOYSA-N 0 0 327.406 2.578 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NC[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594793294 478542808 /nfs/dbraw/zinc/54/28/08/478542808.db2.gz BYNGVMJGGOOLMA-ZDUSSCGKSA-N 0 0 349.412 2.689 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)c2ccccn2)cc1C ZINC000594795348 478542833 /nfs/dbraw/zinc/54/28/33/478542833.db2.gz KWQKLPIPJAUOQG-ZDUSSCGKSA-N 0 0 349.412 2.689 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](CO)Cc1ccccc1 ZINC000597858040 478543758 /nfs/dbraw/zinc/54/37/58/478543758.db2.gz PHBBTVSNZGCJJS-MRXNPFEDSA-N 0 0 328.368 2.579 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(c3ccco3)CC2)c1 ZINC000594799867 478544002 /nfs/dbraw/zinc/54/40/02/478544002.db2.gz UKTJKGLBKCZDQG-UHFFFAOYSA-N 0 0 336.369 2.756 10 5 EFBERN Nc1nccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000571225079 478547571 /nfs/dbraw/zinc/54/75/71/478547571.db2.gz SHFURFXNXNYJTI-LLVKDONJSA-N 0 0 346.774 2.685 10 5 EFBERN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000597862073 478548500 /nfs/dbraw/zinc/54/85/00/478548500.db2.gz AQHUEDJDFJKAJG-ZDUSSCGKSA-N 0 0 341.367 2.873 10 5 EFBERN COc1cc(C(=O)NC[C@@H](C)c2ccccn2)cc([N+](=O)[O-])c1C ZINC000597863113 478550314 /nfs/dbraw/zinc/55/03/14/478550314.db2.gz GKBUTFAKOMBSKI-LLVKDONJSA-N 0 0 329.356 2.840 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000571243351 478551046 /nfs/dbraw/zinc/55/10/46/478551046.db2.gz JDPBSUYNGYZNQF-HSZRJFAPSA-N 0 0 334.397 2.977 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nnc(CCC(C)C)s1 ZINC000597870549 478553510 /nfs/dbraw/zinc/55/35/10/478553510.db2.gz PBXNGAJLBYVPKR-UHFFFAOYSA-N 0 0 335.389 2.991 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594834675 478556813 /nfs/dbraw/zinc/55/68/13/478556813.db2.gz UIESOQDWJVTHNX-JOYOIKCWSA-N 0 0 338.410 2.663 10 5 EFBERN CCCN1C[C@H](c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000591457087 478558559 /nfs/dbraw/zinc/55/85/59/478558559.db2.gz YHRJPIIDNAIUCP-WCQYABFASA-N 0 0 344.371 2.856 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@]2(C)CC2(F)F)c1 ZINC000594855925 478562195 /nfs/dbraw/zinc/56/21/95/478562195.db2.gz CVVBVNBNSSLGFG-CYBMUJFWSA-N 0 0 348.371 2.925 10 5 EFBERN Cn1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)nnc1C1CC1 ZINC000597897198 478563031 /nfs/dbraw/zinc/56/30/31/478563031.db2.gz KYVHXSHEFFNWSN-UHFFFAOYSA-N 0 0 329.360 2.517 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@]2(C)CC2(F)F)cc1C ZINC000594856855 478563480 /nfs/dbraw/zinc/56/34/80/478563480.db2.gz JJWPZRKYJYOXLP-ZDUSSCGKSA-N 0 0 348.371 2.925 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@]1(C)CC1(F)F ZINC000594858624 478563627 /nfs/dbraw/zinc/56/36/27/478563627.db2.gz UCCBZDXWHNZEDO-LBPRGKRZSA-N 0 0 334.344 2.617 10 5 EFBERN CC[C@@](C)(NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594860428 478564351 /nfs/dbraw/zinc/56/43/51/478564351.db2.gz DHDRMBAVUGLFQH-OAHLLOKOSA-N 0 0 326.418 2.635 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCC3(CC3(F)F)CC2)c1 ZINC000594869815 478567725 /nfs/dbraw/zinc/56/77/25/478567725.db2.gz HGHKQQLAOFRPGV-UHFFFAOYSA-N 0 0 346.355 2.841 10 5 EFBERN CC[C@@H]1CN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000591505183 478570002 /nfs/dbraw/zinc/57/00/02/478570002.db2.gz ADCIJIOZYNJFGX-GASCZTMLSA-N 0 0 336.388 2.771 10 5 EFBERN CO[C@H](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1 ZINC000594881385 478571642 /nfs/dbraw/zinc/57/16/42/478571642.db2.gz NOENROUZKSSSHD-OAHLLOKOSA-N 0 0 332.356 2.786 10 5 EFBERN CO[C@@H](COc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000594887442 478572607 /nfs/dbraw/zinc/57/26/07/478572607.db2.gz LQNCFBHMDXXXNH-ZANVPECISA-N 0 0 346.177 2.788 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000563501321 478572648 /nfs/dbraw/zinc/57/26/48/478572648.db2.gz NPJWMFMRSUTCCR-TVQRCGJNSA-N 0 0 337.257 2.693 10 5 EFBERN CO[C@@H](COc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000594887440 478572773 /nfs/dbraw/zinc/57/27/73/478572773.db2.gz LQNCFBHMDXXXNH-RNCFNFMXSA-N 0 0 346.177 2.788 10 5 EFBERN CO[C@H](COc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000594887441 478573224 /nfs/dbraw/zinc/57/32/24/478573224.db2.gz LQNCFBHMDXXXNH-TVQRCGJNSA-N 0 0 346.177 2.788 10 5 EFBERN O=c1c(Br)cn(C[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594890901 478573870 /nfs/dbraw/zinc/57/38/70/478573870.db2.gz FBSONACQUCFGTQ-KXUCPTDWSA-N 0 0 327.178 2.955 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@](C)(C3CC3)C2)c1 ZINC000597921856 478575361 /nfs/dbraw/zinc/57/53/61/478575361.db2.gz GABCAFUQJDTOQL-GOSISDBHSA-N 0 0 348.399 2.700 10 5 EFBERN CO[C@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000594900281 478578053 /nfs/dbraw/zinc/57/80/53/478578053.db2.gz YYBQOPFPZDARMK-CQSZACIVSA-N 0 0 333.344 2.617 10 5 EFBERN C[C@H](C(=O)N1CCO[C@@](C)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597925759 478579047 /nfs/dbraw/zinc/57/90/47/478579047.db2.gz XZXIZCOMGZETAN-APPDUMDISA-N 0 0 336.363 2.865 10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000597925216 478579984 /nfs/dbraw/zinc/57/99/84/478579984.db2.gz UJWOWZWXABRZLG-GOSISDBHSA-N 0 0 341.367 2.784 10 5 EFBERN CC(C)(C)OC(=O)CCCn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594915056 478582649 /nfs/dbraw/zinc/58/26/49/478582649.db2.gz NMSBBMIAYDVIEP-UHFFFAOYSA-N 0 0 332.360 2.975 10 5 EFBERN Cc1sc(C(=O)NCc2cccnc2N2CCCC2)cc1[N+](=O)[O-] ZINC000597939755 478587309 /nfs/dbraw/zinc/58/73/09/478587309.db2.gz ARLJELKLNRROEM-UHFFFAOYSA-N 0 0 346.412 2.890 10 5 EFBERN COc1cc(C)c(C)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000597946149 478591250 /nfs/dbraw/zinc/59/12/50/478591250.db2.gz ZEHMDAPXBWCJIV-UHFFFAOYSA-N 0 0 332.360 2.754 10 5 EFBERN Cc1c(CNCc2c(C(F)(F)F)cnn2C)cccc1[N+](=O)[O-] ZINC000594936309 478593653 /nfs/dbraw/zinc/59/36/53/478593653.db2.gz BYWSWUSPHDLGCE-UHFFFAOYSA-N 0 0 328.294 2.945 10 5 EFBERN C[C@H]1CCn2cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])nc2C1 ZINC000600993663 478602141 /nfs/dbraw/zinc/60/21/41/478602141.db2.gz KJWOUXKHVQHNJC-LBPRGKRZSA-N 0 0 328.372 2.646 10 5 EFBERN CCc1n[nH]c(C(=O)NCC(F)(F)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000597975899 478603978 /nfs/dbraw/zinc/60/39/78/478603978.db2.gz PKBIKERVEIQFSC-UHFFFAOYSA-N 0 0 342.277 2.541 10 5 EFBERN O=[N+]([O-])c1ccccc1NCCc1noc(/C=C\[C@@H]2CCCO2)n1 ZINC000591664841 478604193 /nfs/dbraw/zinc/60/41/93/478604193.db2.gz BFMCNTDAEAXWHY-KRZKBDHCSA-N 0 0 330.344 2.825 10 5 EFBERN C[C@H]1CC(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000597979060 478605165 /nfs/dbraw/zinc/60/51/65/478605165.db2.gz KNBCORJTVJNLNS-CHWSQXEVSA-N 0 0 347.415 2.513 10 5 EFBERN CCN(Cc1cnn(C)c1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601020447 478618316 /nfs/dbraw/zinc/61/83/16/478618316.db2.gz POEANELZPRSTQS-UHFFFAOYSA-N 0 0 342.399 2.799 10 5 EFBERN Cc1nn(C)cc1[C@@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601035241 478624498 /nfs/dbraw/zinc/62/44/98/478624498.db2.gz TWTYGXPIWRLEHI-GFCCVEGCSA-N 0 0 342.399 2.936 10 5 EFBERN O=c1c([N+](=O)[O-])cc2c(n1CCOc1ccc(F)cc1)CCCC2 ZINC000571560156 478624936 /nfs/dbraw/zinc/62/49/36/478624936.db2.gz DLIVIUXLSXTGSA-UHFFFAOYSA-N 0 0 332.331 2.853 10 5 EFBERN O=C(NCCCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CCC1 ZINC000571554677 478625638 /nfs/dbraw/zinc/62/56/38/478625638.db2.gz HGGRBXLGHDCTKZ-UHFFFAOYSA-N 0 0 332.404 2.587 10 5 EFBERN O=C(Nc1cccc(C2CC2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563745847 478626163 /nfs/dbraw/zinc/62/61/63/478626163.db2.gz ZVSZMWFRWFWUCY-UHFFFAOYSA-N 0 0 327.296 2.848 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccnc1N(C)C ZINC000595005550 478627204 /nfs/dbraw/zinc/62/72/04/478627204.db2.gz AGMDQDDOPYHXAN-GFCCVEGCSA-N 0 0 330.388 2.915 10 5 EFBERN CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598038635 478627368 /nfs/dbraw/zinc/62/73/68/478627368.db2.gz FOGRLDIICZTBAN-NSHDSACASA-N 0 0 341.795 2.510 10 5 EFBERN Cc1sc(C(=O)N[C@H](C)c2noc(C(F)F)n2)cc1[N+](=O)[O-] ZINC000591783601 478629171 /nfs/dbraw/zinc/62/91/71/478629171.db2.gz IFZRRESJAOQFCK-SCSAIBSYSA-N 0 0 332.288 2.776 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000598046923 478632411 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Cc1nn(C)c(C(=O)N[C@@H](c2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000598062052 478640374 /nfs/dbraw/zinc/64/03/74/478640374.db2.gz UHOMNSREZMQFCT-CYBMUJFWSA-N 0 0 334.351 2.903 10 5 EFBERN Cn1ccnc1[C@@H](N[C@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595047927 478640475 /nfs/dbraw/zinc/64/04/75/478640475.db2.gz ICVPOGZRVLQPIM-HIFRSBDPSA-N 0 0 330.388 2.575 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCc2c(Br)cnn2C)c1 ZINC000601072797 478641863 /nfs/dbraw/zinc/64/18/63/478641863.db2.gz SWDKVOGQQJFBOL-UHFFFAOYSA-N 0 0 326.150 2.978 10 5 EFBERN CC1(C)CO[C@@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000601075478 478642949 /nfs/dbraw/zinc/64/29/49/478642949.db2.gz DCTDELSVOVFOEA-CQSZACIVSA-N 0 0 329.356 2.634 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)c1 ZINC000598066979 478643455 /nfs/dbraw/zinc/64/34/55/478643455.db2.gz IBWPPHUNJHPKHC-IYBDPMFKSA-N 0 0 336.413 2.815 10 5 EFBERN O=[N+]([O-])c1cc2cnn(Cc3nc(CC4CC4)no3)c2c(Cl)c1 ZINC000601080506 478645434 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10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCc3nccnc3C2)c1 ZINC000595849071 479031474 /nfs/dbraw/zinc/03/14/74/479031474.db2.gz DYFKSJXVPDPYCB-UHFFFAOYSA-N 0 0 338.289 2.962 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCc2nccnc2C1 ZINC000595850673 479031566 /nfs/dbraw/zinc/03/15/66/479031566.db2.gz NHIUKGSEXFYJRE-UHFFFAOYSA-N 0 0 349.188 2.706 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(-c3cc(OCC(F)F)ccn3)no2)nc1 ZINC000546554028 479031947 /nfs/dbraw/zinc/03/19/47/479031947.db2.gz GQZKOUNJJJGWNG-UHFFFAOYSA-N 0 0 349.253 2.746 10 5 EFBERN CCc1nccn1[C@@H](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000592765537 479033946 /nfs/dbraw/zinc/03/39/46/479033946.db2.gz KDTRRHICCUOZOI-LBPRGKRZSA-N 0 0 328.372 2.894 10 5 EFBERN CO[C@H](C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)[C@H]1CCOC1 ZINC000598815951 479036645 /nfs/dbraw/zinc/03/66/45/479036645.db2.gz VKGFZBMMCDNILL-GUYCJALGSA-N 0 0 348.399 2.922 10 5 EFBERN COC(=O)c1cc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c(C)o1 ZINC000598822125 479040563 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COc1cccc(C(=O)NCc2cccc3c2CCOC3)c1[N+](=O)[O-] ZINC000601856400 479043641 /nfs/dbraw/zinc/04/36/41/479043641.db2.gz NUDBLRBCWYXQQA-UHFFFAOYSA-N 0 0 342.351 2.606 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])NCC1([C@@H]2CCCCO2)CCC1 ZINC000601858257 479044411 /nfs/dbraw/zinc/04/44/11/479044411.db2.gz WAAYVWGUVPCXBK-INIZCTEOSA-N 0 0 332.400 2.993 10 5 EFBERN CCNc1ccc(C(=O)N2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000598852273 479055360 /nfs/dbraw/zinc/05/53/60/479055360.db2.gz GDWONKZKXSYRPK-QGZVFWFLSA-N 0 0 333.388 2.668 10 5 EFBERN CC(C)(C)OC(=O)C1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595892678 479055685 /nfs/dbraw/zinc/05/56/85/479055685.db2.gz KCZHSBPTZLQFOT-UHFFFAOYSA-N 0 0 336.388 2.575 10 5 EFBERN O=[N+]([O-])c1ccc(OCCN2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000595893293 479056412 /nfs/dbraw/zinc/05/64/12/479056412.db2.gz VUJIENJOBLTZPZ-CYBMUJFWSA-N 0 0 334.294 2.627 10 5 EFBERN CC(C)(C)OC(=O)C1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595892299 479056486 /nfs/dbraw/zinc/05/64/86/479056486.db2.gz 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CCNc1ccc(C(=O)N2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598868703 479063031 /nfs/dbraw/zinc/06/30/31/479063031.db2.gz JGDPEQWQYBPGFB-LBPRGKRZSA-N 0 0 333.388 2.810 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000592837140 479067167 /nfs/dbraw/zinc/06/71/67/479067167.db2.gz VBSOITANCOPQPF-LBPRGKRZSA-N 0 0 347.371 2.784 10 5 EFBERN COc1cc(CN2CCO[C@@](C)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000595914230 479068126 /nfs/dbraw/zinc/06/81/26/479068126.db2.gz CPTWWCHIVLCDBL-CQSZACIVSA-N 0 0 334.294 2.599 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H](c3ncc[nH]3)C1)CCCC2 ZINC000565713192 479069144 /nfs/dbraw/zinc/06/91/44/479069144.db2.gz UDWRBFCGHLRLQR-CYBMUJFWSA-N 0 0 327.388 2.976 10 5 EFBERN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595914508 479070129 /nfs/dbraw/zinc/07/01/29/479070129.db2.gz HQYZFRGVKVKLPH-XHDPSFHLSA-N 0 0 330.331 2.718 10 5 EFBERN CC(NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)(C1CC1)C1CC1 ZINC000598879329 479070435 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EFBERN CCCC[C@@](C)(CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592852628 479073920 /nfs/dbraw/zinc/07/39/20/479073920.db2.gz HYHATKLJXPQGDN-HNNXBMFYSA-N 0 0 328.796 2.848 10 5 EFBERN CCCC[C@@](C)(CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592856676 479074526 /nfs/dbraw/zinc/07/45/26/479074526.db2.gz VGKRAOQSEGBLJR-KRWDZBQOSA-N 0 0 333.388 2.676 10 5 EFBERN Cc1cc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000598889999 479074987 /nfs/dbraw/zinc/07/49/87/479074987.db2.gz HGNARDRWTAWKIJ-CABZTGNLSA-N 0 0 332.278 2.695 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592856677 479074963 /nfs/dbraw/zinc/07/49/63/479074963.db2.gz VGKRAOQSEGBLJR-QGZVFWFLSA-N 0 0 333.388 2.676 10 5 EFBERN COc1cc(CNc2ccn(C3CCSCC3)n2)ccc1[N+](=O)[O-] ZINC000601927330 479075983 /nfs/dbraw/zinc/07/59/83/479075983.db2.gz JKDDANMZJSDMBL-UHFFFAOYSA-N 0 0 348.428 2.902 10 5 EFBERN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)OC ZINC000592862108 479076845 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C[C@@H](C(=O)NC[C@@H]1CCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000598950956 479097941 /nfs/dbraw/zinc/09/79/41/479097941.db2.gz OKYPKJWMXAOBLI-DOMZBBRYSA-N 0 0 325.368 2.940 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCc2cccnc21 ZINC000598951302 479098425 /nfs/dbraw/zinc/09/84/25/479098425.db2.gz RKCBJSHFDRKBTC-CYBMUJFWSA-N 0 0 329.331 2.518 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000592903997 479098495 /nfs/dbraw/zinc/09/84/95/479098495.db2.gz YFBWZQOTAXYAFJ-MRXNPFEDSA-N 0 0 332.404 2.693 10 5 EFBERN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCN(C)C1=O ZINC000601969848 479100933 /nfs/dbraw/zinc/10/09/33/479100933.db2.gz LYCYPFALPJAMMB-ZDUSSCGKSA-N 0 0 325.796 2.691 10 5 EFBERN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCN(C)C1=O ZINC000601969846 479101734 /nfs/dbraw/zinc/10/17/34/479101734.db2.gz LYCYPFALPJAMMB-CYBMUJFWSA-N 0 0 325.796 2.691 10 5 EFBERN CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCN(C)C1=O ZINC000601969751 479101723 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335.404 2.717 10 5 EFBERN COc1cc(CCNC(=O)[C@@H]2CCCC23CC3)c([N+](=O)[O-])cc1OC ZINC000598984802 479114178 /nfs/dbraw/zinc/11/41/78/479114178.db2.gz BVTZJVIVVKJMPS-ZDUSSCGKSA-N 0 0 348.399 2.851 10 5 EFBERN COC(=O)c1c(Cl)c(S[C@@H](C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000596069691 479120391 /nfs/dbraw/zinc/12/03/91/479120391.db2.gz INWJEMFLKJSFRR-LURJTMIESA-N 0 0 333.749 2.688 10 5 EFBERN Cc1nn(C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000593001161 479120510 /nfs/dbraw/zinc/12/05/10/479120510.db2.gz ZCVXAJQXCZHTOJ-NSHDSACASA-N 0 0 345.277 2.558 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCc2ccccc2C1 ZINC000593011619 479124197 /nfs/dbraw/zinc/12/41/97/479124197.db2.gz MPAHDUWKJLIOFQ-MRXNPFEDSA-N 0 0 328.343 2.950 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(CC(F)(F)F)C2CC2)c1 ZINC000593019101 479126610 /nfs/dbraw/zinc/12/66/10/479126610.db2.gz NEPXVCHLGPRUIV-UHFFFAOYSA-N 0 0 332.278 2.908 10 5 EFBERN CC(C)(C)C(=O)NCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000515168706 479127123 /nfs/dbraw/zinc/12/71/23/479127123.db2.gz WZIQNTZLRVGXSF-UHFFFAOYSA-N 0 0 335.404 2.993 10 5 EFBERN COc1cc(NCc2nnc3n2CCCC3)c(Cl)cc1[N+](=O)[O-] ZINC000596082896 479127424 /nfs/dbraw/zinc/12/74/24/479127424.db2.gz PHYSYARLOWAZRF-UHFFFAOYSA-N 0 0 337.767 2.797 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599020889 479127769 /nfs/dbraw/zinc/12/77/69/479127769.db2.gz QIPQDLKTLJBMDQ-CABCVRRESA-N 0 0 335.429 2.817 10 5 EFBERN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000599021185 479128668 /nfs/dbraw/zinc/12/86/68/479128668.db2.gz TUSVOUGULAPMAL-QWHCGFSZSA-N 0 0 338.751 2.559 10 5 EFBERN COCC1(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000573727293 479130774 /nfs/dbraw/zinc/13/07/74/479130774.db2.gz OZKYUFFGTMAMBI-UHFFFAOYSA-N 0 0 333.388 2.716 10 5 EFBERN CC(C)Oc1ccnc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000593027859 479132311 /nfs/dbraw/zinc/13/23/11/479132311.db2.gz YDBSKGBBXMRVTK-UHFFFAOYSA-N 0 0 345.403 2.811 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2cnc3c2C[C@H](C)[C@H](C)C3)c1 ZINC000593031738 479135028 /nfs/dbraw/zinc/13/50/28/479135028.db2.gz LRSWQDQBMQJRLI-NEPJUHHUSA-N 0 0 343.383 2.997 10 5 EFBERN NC(=O)CC[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599038900 479135207 /nfs/dbraw/zinc/13/52/07/479135207.db2.gz VXCFWMAMHRWNIW-LBPRGKRZSA-N 0 0 328.372 2.625 10 5 EFBERN Cc1cc(Nc2cnn(CC(=O)NC3CCCC3)c2)c([N+](=O)[O-])s1 ZINC000596096286 479137027 /nfs/dbraw/zinc/13/70/27/479137027.db2.gz DRAOLPOZVZNDOU-UHFFFAOYSA-N 0 0 349.416 2.964 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000593037460 479137860 /nfs/dbraw/zinc/13/78/60/479137860.db2.gz ABJKERWWPKPPTC-UONOGXRCSA-N 0 0 348.399 2.969 10 5 EFBERN COc1cc(N[C@H]2CCc3nc(C)ncc3C2)c([N+](=O)[O-])cc1F ZINC000596101301 479139196 /nfs/dbraw/zinc/13/91/96/479139196.db2.gz FICJQFZVDQLHAS-NSHDSACASA-N 0 0 332.335 2.810 10 5 EFBERN C[NH+](C)[C@]1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCSC1 ZINC000599052948 479139528 /nfs/dbraw/zinc/13/95/28/479139528.db2.gz CCOUXQIHYOEQKZ-INIZCTEOSA-N 0 0 332.429 2.992 10 5 EFBERN O=C(NCCCNc1ccc2cnccc2c1[N+](=O)[O-])C1CCC1 ZINC000599052987 479140214 /nfs/dbraw/zinc/14/02/14/479140214.db2.gz DDHIKVFSORTBCB-UHFFFAOYSA-N 0 0 328.372 2.861 10 5 EFBERN COc1cc(N[C@H]2CC(=O)N(C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596110246 479143701 /nfs/dbraw/zinc/14/37/01/479143701.db2.gz NMVAXIGHNKETQK-VIFPVBQESA-N 0 0 327.768 2.678 10 5 EFBERN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000599069878 479148023 /nfs/dbraw/zinc/14/80/23/479148023.db2.gz AFYSWJHQSMPSKN-FZKQIMNGSA-N 0 0 343.383 2.917 10 5 EFBERN C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])N1CCCCC1=O ZINC000599069072 479148192 /nfs/dbraw/zinc/14/81/92/479148192.db2.gz SVTRSVAOOHUOPL-LBPRGKRZSA-N 0 0 328.372 2.956 10 5 EFBERN COc1cc(NC2CCC(C(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596120525 479149240 /nfs/dbraw/zinc/14/92/40/479149240.db2.gz SREHABQNNCSZAS-UHFFFAOYSA-N 0 0 327.768 2.713 10 5 EFBERN CC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000599070465 479149664 /nfs/dbraw/zinc/14/96/64/479149664.db2.gz IKJMIOBRRAWWAT-KDOFPFPSSA-N 0 0 343.383 2.917 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596119250 479150552 /nfs/dbraw/zinc/15/05/52/479150552.db2.gz MFVWBZFUSXECKN-SNVBAGLBSA-N 0 0 341.795 2.789 10 5 EFBERN CCS(=O)(=O)C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599073798 479150569 /nfs/dbraw/zinc/15/05/69/479150569.db2.gz NLKTVFTTWUDLCD-UHFFFAOYSA-N 0 0 349.412 2.547 10 5 EFBERN COc1cc(NCC[C@@H](O)C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596122781 479151481 /nfs/dbraw/zinc/15/14/81/479151481.db2.gz CXXJLGMATCAMPC-SNVBAGLBSA-N 0 0 328.674 2.982 10 5 EFBERN Cc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])c(C)n1[C@H]1CCOC1 ZINC000599082886 479153547 /nfs/dbraw/zinc/15/35/47/479153547.db2.gz DOHAHIZJQULTAW-HNNXBMFYSA-N 0 0 343.383 2.905 10 5 EFBERN CCN(CC(C)(C)O)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596129790 479154212 /nfs/dbraw/zinc/15/42/12/479154212.db2.gz XOMHHFVRUNPIMQ-UHFFFAOYSA-N 0 0 330.768 2.632 10 5 EFBERN COc1cccc(N2CCC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596131541 479155993 /nfs/dbraw/zinc/15/59/93/479155993.db2.gz ORPVOIRXKTYCPL-LBPRGKRZSA-N 0 0 344.371 2.785 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC=CCC1 ZINC000596133453 479156225 /nfs/dbraw/zinc/15/62/25/479156225.db2.gz BJCDVQHFEKFOKS-GFCCVEGCSA-N 0 0 339.417 2.804 10 5 EFBERN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593070166 479156525 /nfs/dbraw/zinc/15/65/25/479156525.db2.gz UTAJPZBJLAJRNO-LBPRGKRZSA-N 0 0 341.795 2.688 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596135083 479157284 /nfs/dbraw/zinc/15/72/84/479157284.db2.gz QTQFGPDJMOXDIQ-QMMMGPOBSA-N 0 0 330.793 2.977 10 5 EFBERN COc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596136647 479157674 /nfs/dbraw/zinc/15/76/74/479157674.db2.gz VNYVLZTZEMTMIA-NSHDSACASA-N 0 0 340.685 2.760 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596135082 479157716 /nfs/dbraw/zinc/15/77/16/479157716.db2.gz QTQFGPDJMOXDIQ-MRVPVSSYSA-N 0 0 330.793 2.977 10 5 EFBERN CC1(C)CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596137065 479158083 /nfs/dbraw/zinc/15/80/83/479158083.db2.gz PCXMRMVVKWEEGC-UHFFFAOYSA-N 0 0 327.406 2.623 10 5 EFBERN NC(=O)[C@H]1CC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599093527 479158780 /nfs/dbraw/zinc/15/87/80/479158780.db2.gz WGFQKKSGBDOBNT-HAQNSBGRSA-N 0 0 328.372 2.847 10 5 EFBERN COc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596141073 479160513 /nfs/dbraw/zinc/16/05/13/479160513.db2.gz FZEFLRVPHYTQIO-SBMIAAHKSA-N 0 0 339.779 2.678 10 5 EFBERN C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H](c2ccc(F)cc2)O1 ZINC000596140397 479160890 /nfs/dbraw/zinc/16/08/90/479160890.db2.gz HVZXCPHCIWWOSS-IINYFYTJSA-N 0 0 332.335 2.678 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3ccncc3)C2)c1 ZINC000599102726 479161340 /nfs/dbraw/zinc/16/13/40/479161340.db2.gz RBSNCKJIJJIVHU-AWEZNQCLSA-N 0 0 327.340 2.770 10 5 EFBERN Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000599101149 479161871 /nfs/dbraw/zinc/16/18/71/479161871.db2.gz IDBCKHXHVNAJNZ-TZMCWYRMSA-N 0 0 328.372 2.540 10 5 EFBERN O=[N+]([O-])c1c(NCc2nc([C@H]3CCCO3)n[nH]2)ccc2cnccc21 ZINC000599103295 479161882 /nfs/dbraw/zinc/16/18/82/479161882.db2.gz WFWOALIFEAGTCN-CYBMUJFWSA-N 0 0 340.343 2.725 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C)(C)C1 ZINC000596143503 479161884 /nfs/dbraw/zinc/16/18/84/479161884.db2.gz TZOLDAQAVXJLON-UHFFFAOYSA-N 0 0 341.433 2.519 10 5 EFBERN COc1ccc(CC(=O)N2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000584521867 479163216 /nfs/dbraw/zinc/16/32/16/479163216.db2.gz IBWFUNYNDNZZCH-OAHLLOKOSA-N 0 0 348.399 2.564 10 5 EFBERN COC[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596151529 479165258 /nfs/dbraw/zinc/16/52/58/479165258.db2.gz RJFPNARBLFWHEX-VIFPVBQESA-N 0 0 328.752 2.650 10 5 EFBERN CC1(C)CCC[C@@H]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000599116251 479165630 /nfs/dbraw/zinc/16/56/30/479165630.db2.gz QGKPNEYPSQZNSC-LLVKDONJSA-N 0 0 341.433 2.871 10 5 EFBERN CC1(C)CCC[C@H]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000599116252 479165863 /nfs/dbraw/zinc/16/58/63/479165863.db2.gz QGKPNEYPSQZNSC-NSHDSACASA-N 0 0 341.433 2.871 10 5 EFBERN C[C@@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596153542 479166301 /nfs/dbraw/zinc/16/63/01/479166301.db2.gz HHZIYFLAQRTGCC-PXAZEXFGSA-N 0 0 341.367 2.660 10 5 EFBERN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)n1[C@H]1CCOC1 ZINC000599119371 479167949 /nfs/dbraw/zinc/16/79/49/479167949.db2.gz QKYPWSSTMZBVQB-INIZCTEOSA-N 0 0 343.383 2.905 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)c2nnc(C)o2)ccc1[N+](=O)[O-] ZINC000596158100 479169286 /nfs/dbraw/zinc/16/92/86/479169286.db2.gz PQDGTTFOZFWGOZ-LURJTMIESA-N 0 0 340.723 2.899 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000584535346 479169539 /nfs/dbraw/zinc/16/95/39/479169539.db2.gz DMTSDHVAKWYWNO-YWPYICTPSA-N 0 0 340.445 2.989 10 5 EFBERN NC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126422 479170402 /nfs/dbraw/zinc/17/04/02/479170402.db2.gz GXVMAYGFSOYTRE-AWEZNQCLSA-N 0 0 332.404 2.513 10 5 EFBERN CC1(C)C[C@@H](Sc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CO1 ZINC000599125361 479171031 /nfs/dbraw/zinc/17/10/31/479171031.db2.gz NXFDBSJQYNJAPU-SSDOTTSWSA-N 0 0 337.444 2.719 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1CC=CC1 ZINC000599128014 479171908 /nfs/dbraw/zinc/17/19/08/479171908.db2.gz VJDLPZDFMKEGNQ-UHFFFAOYSA-N 0 0 339.417 2.661 10 5 EFBERN COC(=O)c1ccc(F)c2c1CN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC000599132675 479173206 /nfs/dbraw/zinc/17/32/06/479173206.db2.gz JHAXSWCQVZZTRA-UHFFFAOYSA-N 0 0 345.330 2.787 10 5 EFBERN Cc1cc(NC[C@H](O)[C@@H]2CCCO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599133292 479175003 /nfs/dbraw/zinc/17/50/03/479175003.db2.gz UDGINGROEFZTLE-STQMWFEESA-N 0 0 334.294 2.874 10 5 EFBERN COc1ccc(CC(=O)N2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610745030 479175279 /nfs/dbraw/zinc/17/52/79/479175279.db2.gz QRJDWSMEJCRYAG-UHFFFAOYSA-N 0 0 332.278 2.557 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccn(C2CCCC2)n1 ZINC000593101673 479175638 /nfs/dbraw/zinc/17/56/38/479175638.db2.gz RDOCSMURXMVESU-UHFFFAOYSA-N 0 0 346.362 2.904 10 5 EFBERN COc1cc(NCc2cc3c([nH]c2=O)CCC3)c([N+](=O)[O-])cc1F ZINC000599137078 479175703 /nfs/dbraw/zinc/17/57/03/479175703.db2.gz ZARIXGYKGOHSQP-UHFFFAOYSA-N 0 0 333.319 2.944 10 5 EFBERN C[C@@H](CCNc1c(Br)cccc1[N+](=O)[O-])[S@](C)=O ZINC000596166882 479175699 /nfs/dbraw/zinc/17/56/99/479175699.db2.gz ZCTQODRTRZKIDK-ASCAZGACSA-N 0 0 335.223 2.926 10 5 EFBERN O=C1C[C@@]2(CCCN(c3ccncc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599140197 479177438 /nfs/dbraw/zinc/17/74/38/479177438.db2.gz SIQKDJCUUGWBDO-GOSISDBHSA-N 0 0 339.351 2.994 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cn1 ZINC000599138622 479177478 /nfs/dbraw/zinc/17/74/78/479177478.db2.gz HLSVPMUVHNEYJN-HNNXBMFYSA-N 0 0 348.790 2.961 10 5 EFBERN O=[N+]([O-])c1ccccc1NCC1(OCCO)CCC(F)(F)CC1 ZINC000599140026 479177636 /nfs/dbraw/zinc/17/76/36/479177636.db2.gz PUUXHEGPZZUTCN-UHFFFAOYSA-N 0 0 330.331 2.964 10 5 EFBERN CC[C@H](CCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000599143450 479179012 /nfs/dbraw/zinc/17/90/12/479179012.db2.gz RVTYVRYJRPXTGU-CYBMUJFWSA-N 0 0 328.372 2.912 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000596174416 479179905 /nfs/dbraw/zinc/17/99/05/479179905.db2.gz LNTVDWVPCFIFEX-JOYOIKCWSA-N 0 0 342.779 2.632 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1C(F)(F)F ZINC000584571618 479180349 /nfs/dbraw/zinc/18/03/49/479180349.db2.gz IAFYPJCFVNPNPN-VXGBXAGGSA-N 0 0 341.289 2.933 10 5 EFBERN Cn1nccc1[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593112005 479180564 /nfs/dbraw/zinc/18/05/64/479180564.db2.gz MIHHZDBQIZPXDV-HNNXBMFYSA-N 0 0 336.779 2.555 10 5 EFBERN CNC(=O)[C@H]1CCC[C@H]1Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596176518 479181567 /nfs/dbraw/zinc/18/15/67/479181567.db2.gz HNSMFDNHFYPPKC-WCBMZHEXSA-N 0 0 327.768 2.583 10 5 EFBERN COC(=O)c1cc(N2CCC[C@H](n3ccnc3)C2)cc(C)c1[N+](=O)[O-] ZINC000610769864 479182705 /nfs/dbraw/zinc/18/27/05/479182705.db2.gz NZWNZYUPVXSNIB-ZDUSSCGKSA-N 0 0 344.371 2.728 10 5 EFBERN Cn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(-c2ccccn2)n1 ZINC000610775126 479183380 /nfs/dbraw/zinc/18/33/80/479183380.db2.gz CMDLVNSXHWBXCQ-UHFFFAOYSA-N 0 0 341.302 2.782 10 5 EFBERN COc1cc(N2CCC(CCC(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596181029 479183518 /nfs/dbraw/zinc/18/35/18/479183518.db2.gz VXCFWSGTCDEQNJ-UHFFFAOYSA-N 0 0 341.795 2.739 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC2(F)F)C1 ZINC000593116866 479183930 /nfs/dbraw/zinc/18/39/30/479183930.db2.gz JKDNGBQWCVJCKB-HZMBPMFUSA-N 0 0 325.315 2.653 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000610771505 479184328 /nfs/dbraw/zinc/18/43/28/479184328.db2.gz XKTAKLOPOAMWQY-MRXNPFEDSA-N 0 0 327.340 2.594 10 5 EFBERN COc1cc(NCc2nnc(C3CC3)n2C)c(Cl)cc1[N+](=O)[O-] ZINC000596183683 479185039 /nfs/dbraw/zinc/18/50/39/479185039.db2.gz NUAOCYRFQXYNNY-UHFFFAOYSA-N 0 0 337.767 2.875 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(CC2(F)F)C1 ZINC000593118374 479185680 /nfs/dbraw/zinc/18/56/80/479185680.db2.gz QULVOLXVAKCZLZ-CQSZACIVSA-N 0 0 325.315 2.573 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@]4(CC4(F)F)C3)n2)cc1 ZINC000593117920 479186016 /nfs/dbraw/zinc/18/60/16/479186016.db2.gz OIJIPHGRIDUNJP-CQSZACIVSA-N 0 0 336.298 2.876 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCN(C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596181936 479186102 /nfs/dbraw/zinc/18/61/02/479186102.db2.gz HWTQKALXKODYDV-VHSXEESVSA-N 0 0 341.795 2.564 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C(=O)OC)C1CCCCC1 ZINC000599158149 479187162 /nfs/dbraw/zinc/18/71/62/479187162.db2.gz HNMFGRWFARSIIQ-CYBMUJFWSA-N 0 0 338.408 2.901 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000599164824 479190166 /nfs/dbraw/zinc/19/01/66/479190166.db2.gz OUWSVZRPSZBCDH-LITAXDCLSA-N 0 0 330.182 2.976 10 5 EFBERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000599164472 479190336 /nfs/dbraw/zinc/19/03/36/479190336.db2.gz LXIZPEHILVFXMJ-ZANVPECISA-N 0 0 344.314 2.643 10 5 EFBERN O=[N+]([O-])c1cc(N2CCO[C@@]3(CCOC3)C2)ccc1C(F)(F)F ZINC000596195278 479191260 /nfs/dbraw/zinc/19/12/60/479191260.db2.gz PIKLAMJZWNFADU-ZDUSSCGKSA-N 0 0 332.278 2.609 10 5 EFBERN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000599166645 479191756 /nfs/dbraw/zinc/19/17/56/479191756.db2.gz SFZMJSFKLZVZMS-QMTHXVAHSA-N 0 0 326.324 2.504 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCO[C@]3(CCSC3)C1)CCCC2 ZINC000569840112 479192302 /nfs/dbraw/zinc/19/23/02/479192302.db2.gz SNHZBUUKNNHYNG-MRXNPFEDSA-N 0 0 335.429 2.581 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599167910 479192516 /nfs/dbraw/zinc/19/25/16/479192516.db2.gz UTUUHMMBQCFPLW-PSVOKBTDSA-N 0 0 331.397 2.633 10 5 EFBERN COC(=O)/C(Br)=C\c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000584610041 479192581 /nfs/dbraw/zinc/19/25/81/479192581.db2.gz DJEIEJXDNUROCS-XBXARRHUSA-N 0 0 346.133 2.521 10 5 EFBERN Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c2cccc([N+](=O)[O-])c2n1 ZINC000599168269 479192669 /nfs/dbraw/zinc/19/26/69/479192669.db2.gz MNLYRQRXDIVKOI-RSPPDBIESA-N 0 0 345.424 2.941 10 5 EFBERN Cc1cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c2cccc([N+](=O)[O-])c2n1 ZINC000599168268 479192731 /nfs/dbraw/zinc/19/27/31/479192731.db2.gz MNLYRQRXDIVKOI-VXMWWYGOSA-N 0 0 345.424 2.941 10 5 EFBERN O=[N+]([O-])c1cccc2c(N3CC[C@H]4CC[C@@H](C3)[S@]4=O)ccnc21 ZINC000599167872 479193037 /nfs/dbraw/zinc/19/30/37/479193037.db2.gz SGIKMHPDOZRGRO-WCBZVUCDSA-N 0 0 331.397 2.633 10 5 EFBERN C/C=C/C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596197500 479193112 /nfs/dbraw/zinc/19/31/12/479193112.db2.gz RBGWIQRTOJCJRB-CDAZIORVSA-N 0 0 328.752 2.774 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CCO[C@@H](CCF)C1 ZINC000599168993 479193316 /nfs/dbraw/zinc/19/33/16/479193316.db2.gz NORGKXFPTUFKQI-VIFPVBQESA-N 0 0 333.157 2.922 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000596201190 479194613 /nfs/dbraw/zinc/19/46/13/479194613.db2.gz UBNDLIHHPUPDCO-NXEZZACHSA-N 0 0 328.752 2.606 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599173711 479195355 /nfs/dbraw/zinc/19/53/55/479195355.db2.gz PPXANGVUZRJETC-WCBZVUCDSA-N 0 0 331.397 2.633 10 5 EFBERN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602134210 479195453 /nfs/dbraw/zinc/19/54/53/479195453.db2.gz UHJIZQJNTNUUJD-HUUCEWRRSA-N 0 0 326.356 2.613 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@]3(CO)C2)cc1OC(F)F ZINC000599174631 479195731 /nfs/dbraw/zinc/19/57/31/479195731.db2.gz WFVSKTYKKLHMCM-ZUZCIYMTSA-N 0 0 328.315 2.795 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)n1 ZINC000599173746 479195734 /nfs/dbraw/zinc/19/57/34/479195734.db2.gz RNIQKBDFCYFOII-DOMZBBRYSA-N 0 0 330.344 2.649 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593132893 479196367 /nfs/dbraw/zinc/19/63/67/479196367.db2.gz HZJUNMURABLMDE-CYBMUJFWSA-N 0 0 338.379 2.942 10 5 EFBERN Nc1cc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)cc(CO)c1[N+](=O)[O-] ZINC000599177495 479196884 /nfs/dbraw/zinc/19/68/84/479196884.db2.gz QZIFXUZQBUKOIZ-SWLSCSKDSA-N 0 0 335.310 2.916 10 5 EFBERN COC(=O)c1cc(C)nc(N2Cc3cccc(OC)c3C2)c1[N+](=O)[O-] ZINC000599178549 479196997 /nfs/dbraw/zinc/19/69/97/479196997.db2.gz AQGWCYVPCZUKNA-UHFFFAOYSA-N 0 0 343.339 2.614 10 5 EFBERN Cc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599181910 479198106 /nfs/dbraw/zinc/19/81/06/479198106.db2.gz VCUVNZGVHYUEJW-GOEBONIOSA-N 0 0 340.383 2.762 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H]2CO[C@@H](C3CC3)C2)c(Br)c1 ZINC000599180878 479198563 /nfs/dbraw/zinc/19/85/63/479198563.db2.gz NRDUWRVCVWXFRR-GZMMTYOYSA-N 0 0 328.166 2.732 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000596207994 479199043 /nfs/dbraw/zinc/19/90/43/479199043.db2.gz UPSIAIZENIBVLW-IUCAKERBSA-N 0 0 328.752 2.608 10 5 EFBERN Cc1ccc(NC[C@H]2CN(Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000599184311 479199752 /nfs/dbraw/zinc/19/97/52/479199752.db2.gz ZGBKPGJNLDPHLA-INIZCTEOSA-N 0 0 342.399 2.611 10 5 EFBERN COc1cc(NCC2(N3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596210431 479201416 /nfs/dbraw/zinc/20/14/16/479201416.db2.gz JRRALNLAOXEXNA-UHFFFAOYSA-N 0 0 341.795 2.534 10 5 EFBERN COC(=O)[C@H]1CN(c2c(OC)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599187502 479201481 /nfs/dbraw/zinc/20/14/81/479201481.db2.gz IQKMMUGMQIZXFO-AWEZNQCLSA-N 0 0 342.351 2.880 10 5 EFBERN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(C)n1[C@H]1CCOC1 ZINC000599189577 479202999 /nfs/dbraw/zinc/20/29/99/479202999.db2.gz TXLFZPMAMZLQIB-INIZCTEOSA-N 0 0 343.383 2.905 10 5 EFBERN COC(=O)c1cnc(N2CC(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000599194806 479203581 /nfs/dbraw/zinc/20/35/81/479203581.db2.gz GUSJTZQHZWHPQK-UHFFFAOYSA-N 0 0 333.369 2.517 10 5 EFBERN Cc1noc([C@@H]2OCC[C@@H]2Nc2ccc([N+](=O)[O-])c3cnccc23)n1 ZINC000599196047 479204846 /nfs/dbraw/zinc/20/48/46/479204846.db2.gz LRIMMTSWJWIWKX-DZGCQCFKSA-N 0 0 341.327 2.777 10 5 EFBERN Cc1noc([C@@H]2OCC[C@@H]2Nc2nc3ccccc3cc2[N+](=O)[O-])n1 ZINC000599196598 479204952 /nfs/dbraw/zinc/20/49/52/479204952.db2.gz UTGINWVKKKQDQF-GXTWGEPZSA-N 0 0 341.327 2.777 10 5 EFBERN COc1ccc([C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)cc1F ZINC000599196174 479205088 /nfs/dbraw/zinc/20/50/88/479205088.db2.gz ZBBMDCLQXQXVHL-LLVKDONJSA-N 0 0 332.335 2.714 10 5 EFBERN CC(=O)NC[C@@H]1CCCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000599202497 479206323 /nfs/dbraw/zinc/20/63/23/479206323.db2.gz UDQNSQHSQSMASA-ZDUSSCGKSA-N 0 0 328.372 2.638 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](CO)CC2CCC2)ccc1[N+](=O)[O-] ZINC000596222172 479208134 /nfs/dbraw/zinc/20/81/34/479208134.db2.gz GMKAPHREODYDFU-JTQLQIEISA-N 0 0 342.779 2.998 10 5 EFBERN COC[C@]1(C)CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000599203462 479208397 /nfs/dbraw/zinc/20/83/97/479208397.db2.gz VMSONIJYGWAGIZ-ZDUSSCGKSA-N 0 0 334.294 2.855 10 5 EFBERN COc1cc(NCC2([S@](C)=O)CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596225726 479210124 /nfs/dbraw/zinc/21/01/24/479210124.db2.gz OEWCYNOCEPAPSZ-NRFANRHFSA-N 0 0 332.809 2.970 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC=C(c3cnn(C)c3)C2)c1 ZINC000602177757 479220156 /nfs/dbraw/zinc/22/01/56/479220156.db2.gz FSSGAQUEUBGYGB-UHFFFAOYSA-N 0 0 326.356 2.566 10 5 EFBERN CC[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596247871 479222183 /nfs/dbraw/zinc/22/21/83/479222183.db2.gz SGYHEINUNONGAF-SNVBAGLBSA-N 0 0 341.795 2.565 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000610893233 479224350 /nfs/dbraw/zinc/22/43/50/479224350.db2.gz NFNNXRNBUCYGJG-UHFFFAOYSA-N 0 0 336.250 2.912 10 5 EFBERN COc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)nc1 ZINC000610890405 479225008 /nfs/dbraw/zinc/22/50/08/479225008.db2.gz YRMLNDFRKHIGEG-UHFFFAOYSA-N 0 0 325.271 2.634 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593182549 479225330 /nfs/dbraw/zinc/22/53/30/479225330.db2.gz SWYCHKCPRHZJHT-MRXNPFEDSA-N 0 0 349.387 2.930 10 5 EFBERN COc1cc(NC[C@@H]2CCOC[C@@H]2OC)c(Cl)cc1[N+](=O)[O-] ZINC000596252316 479225304 /nfs/dbraw/zinc/22/53/04/479225304.db2.gz BVMJGFVOTRAANH-XPTSAGLGSA-N 0 0 330.768 2.720 10 5 EFBERN Cc1noc(COc2ccc(OCc3onc(C)c3[N+](=O)[O-])cc2)n1 ZINC000596258495 479226355 /nfs/dbraw/zinc/22/63/55/479226355.db2.gz SOUQRAUPBYFKQH-UHFFFAOYSA-N 0 0 346.299 2.741 10 5 EFBERN Cc1ncc(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000603060695 479226434 /nfs/dbraw/zinc/22/64/34/479226434.db2.gz IMOAHMKLQSCYRS-CQSZACIVSA-N 0 0 329.356 2.840 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC23COC3)nc1OCc1ccccc1 ZINC000596256414 479226406 /nfs/dbraw/zinc/22/64/06/479226406.db2.gz BQKKQQATZPOYGD-UHFFFAOYSA-N 0 0 327.340 2.548 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596255632 479226664 /nfs/dbraw/zinc/22/66/64/479226664.db2.gz VJGBZYNMWAJAEE-SKDRFNHKSA-N 0 0 342.779 2.896 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596278880 479236110 /nfs/dbraw/zinc/23/61/10/479236110.db2.gz NSAORDZUJXIDMQ-UWVGGRQHSA-N 0 0 342.779 2.632 10 5 EFBERN Cc1sc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000556906401 479236305 /nfs/dbraw/zinc/23/63/05/479236305.db2.gz QUDFLGFNEXADTL-ZDUSSCGKSA-N 0 0 334.401 2.922 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2CCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000596279873 479236540 /nfs/dbraw/zinc/23/65/40/479236540.db2.gz RTBGONRLBVCSOV-UWVGGRQHSA-N 0 0 342.779 2.998 10 5 EFBERN CO[C@H](Cn1cnc2sc([N+](=O)[O-])cc2c1=O)C1CCCCC1 ZINC000596282035 479236607 /nfs/dbraw/zinc/23/66/07/479236607.db2.gz YRWOIEKUJRJIRY-GFCCVEGCSA-N 0 0 337.401 2.962 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)NC1(c2ccccc2Cl)CCC1 ZINC000593200479 479237018 /nfs/dbraw/zinc/23/70/18/479237018.db2.gz XGGFMAMZHAHZLS-UHFFFAOYSA-N 0 0 334.763 2.640 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc3c(n2)CCOC3)c1 ZINC000596286281 479239212 /nfs/dbraw/zinc/23/92/12/479239212.db2.gz SAVOQKWOSZSQCK-UHFFFAOYSA-N 0 0 327.262 2.931 10 5 EFBERN Cc1cc(C)c2c(c1)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000593217355 479244532 /nfs/dbraw/zinc/24/45/32/479244532.db2.gz KQHQDAVQLDPRCX-UHFFFAOYSA-N 0 0 348.380 2.799 10 5 EFBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593217623 479245135 /nfs/dbraw/zinc/24/51/35/479245135.db2.gz BVVPNHXZPCXPDP-QGZVFWFLSA-N 0 0 346.362 2.511 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000593221043 479246354 /nfs/dbraw/zinc/24/63/54/479246354.db2.gz CQJIUMGRPVWHDN-MWLCHTKSSA-N 0 0 340.401 2.991 10 5 EFBERN CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596307345 479247193 /nfs/dbraw/zinc/24/71/93/479247193.db2.gz KVKDYFCXJUKKEK-JTQLQIEISA-N 0 0 331.376 2.528 10 5 EFBERN CCCC[C@H](C)N(CCCC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599313928 479249289 /nfs/dbraw/zinc/24/92/89/479249289.db2.gz RLOLJXDGSVSSPF-LBPRGKRZSA-N 0 0 346.453 2.698 10 5 EFBERN COc1cc(N(C)[C@H](CO)Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000596312342 479249158 /nfs/dbraw/zinc/24/91/58/479249158.db2.gz LCYBXMLOHNHWMX-ZDUSSCGKSA-N 0 0 334.347 2.782 10 5 EFBERN CC(C)Oc1nc(NCCc2noc3ccccc23)ccc1[N+](=O)[O-] ZINC000596311986 479249336 /nfs/dbraw/zinc/24/93/36/479249336.db2.gz IDRNAXBMIZVART-UHFFFAOYSA-N 0 0 342.355 2.995 10 5 EFBERN COC(=O)Cc1ccc(NC[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000596313181 479249603 /nfs/dbraw/zinc/24/96/03/479249603.db2.gz OHTOHSUGOAYGIK-LBPRGKRZSA-N 0 0 329.356 2.921 10 5 EFBERN CC(C)n1cnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000593230867 479251438 /nfs/dbraw/zinc/25/14/38/479251438.db2.gz ZXQVSINEVXGYLR-UHFFFAOYSA-N 0 0 330.348 2.594 10 5 EFBERN CS(=O)(=O)CC1(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000596316916 479251901 /nfs/dbraw/zinc/25/19/01/479251901.db2.gz OLOZWYPZDOLMPR-UHFFFAOYSA-N 0 0 332.809 2.875 10 5 EFBERN CS(=O)(=O)CC1(CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000596318159 479253132 /nfs/dbraw/zinc/25/31/32/479253132.db2.gz XZBRBUWWRXXNFA-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)C2CCC2)nc1OCc1ccccc1 ZINC000596323604 479253848 /nfs/dbraw/zinc/25/38/48/479253848.db2.gz NFLWZWFTDSEMKE-HNNXBMFYSA-N 0 0 343.383 2.564 10 5 EFBERN Cc1c(Br)c(N[C@@H](CO)C2CCC2)ncc1[N+](=O)[O-] ZINC000596324040 479254816 /nfs/dbraw/zinc/25/48/16/479254816.db2.gz UIBAXDUZHLPFMD-VIFPVBQESA-N 0 0 330.182 2.634 10 5 EFBERN COC(=O)c1cc(N2CCO[C@](C)(C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000596336247 479258511 /nfs/dbraw/zinc/25/85/11/479258511.db2.gz WSWPGHXZUGWUII-KRWDZBQOSA-N 0 0 334.372 2.695 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000611005694 479259794 /nfs/dbraw/zinc/25/97/94/479259794.db2.gz HVBCDMLOEYHNCR-VXGBXAGGSA-N 0 0 329.356 2.575 10 5 EFBERN CSc1ccc(C(=O)N2CCc3ncccc3C2)cc1[N+](=O)[O-] ZINC000611007591 479261433 /nfs/dbraw/zinc/26/14/33/479261433.db2.gz UZCULDKCGMRTHW-UHFFFAOYSA-N 0 0 329.381 2.910 10 5 EFBERN CC[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](CC)CO1 ZINC000593256056 479262154 /nfs/dbraw/zinc/26/21/54/479262154.db2.gz HQBYTWKFBJMELA-CMPLNLGQSA-N 0 0 342.342 2.832 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2ncccc2C1 ZINC000611012624 479263403 /nfs/dbraw/zinc/26/34/03/479263403.db2.gz TVRXFSJFIUTRDT-UHFFFAOYSA-N 0 0 340.383 2.767 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@@](O)(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000602274601 479266006 /nfs/dbraw/zinc/26/60/06/479266006.db2.gz UWEHSISVUGNTQS-RDJZCZTQSA-N 0 0 335.404 2.992 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000596365846 479266728 /nfs/dbraw/zinc/26/67/28/479266728.db2.gz GWPLCCXTTDGEMD-SRCQZFHVSA-N 0 0 345.399 2.543 10 5 EFBERN CCOc1cc(N[C@H]2Cc3ccccc3N(C)C2=O)ccc1[N+](=O)[O-] ZINC000596363656 479267179 /nfs/dbraw/zinc/26/71/79/479267179.db2.gz URFLJIZVIRRXQZ-AWEZNQCLSA-N 0 0 341.367 2.993 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000596366684 479268493 /nfs/dbraw/zinc/26/84/93/479268493.db2.gz DJLQPQNOBBDFBI-XPKDYRNWSA-N 0 0 336.388 2.775 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596366381 479268872 /nfs/dbraw/zinc/26/88/72/479268872.db2.gz KNGMKHQCSJKGRZ-DRCTWCGVSA-N 0 0 330.331 2.851 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000596368401 479269558 /nfs/dbraw/zinc/26/95/58/479269558.db2.gz ZIFHKOFXOJZHDT-IIAWOOMASA-N 0 0 336.388 2.775 10 5 EFBERN CC(C)c1nn(C)cc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574355079 479270960 /nfs/dbraw/zinc/27/09/60/479270960.db2.gz LXWLGJLTPKPJSK-UHFFFAOYSA-N 0 0 347.375 2.652 10 5 EFBERN COc1cc(C(=O)N[C@@H](C2CC2)C2CCOCC2)cc([N+](=O)[O-])c1C ZINC000593279289 479272889 /nfs/dbraw/zinc/27/28/89/479272889.db2.gz BSCAHVFPRZQBJZ-KRWDZBQOSA-N 0 0 348.399 2.847 10 5 EFBERN O=C(NCc1cc2n(n1)CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000603147093 479274534 /nfs/dbraw/zinc/27/45/34/479274534.db2.gz UPBKMDLEWYAKSO-UHFFFAOYSA-N 0 0 334.763 2.711 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](C1CC1)C1CCOCC1 ZINC000593279914 479274614 /nfs/dbraw/zinc/27/46/14/479274614.db2.gz DPRGOKLYXXZULK-SFHVURJKSA-N 0 0 347.415 2.718 10 5 EFBERN COc1cc(CSC[C@@H](OC)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596388645 479274764 /nfs/dbraw/zinc/27/47/64/479274764.db2.gz MEIWIODGYBZOQC-IUODEOHRSA-N 0 0 327.402 2.888 10 5 EFBERN CC[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593283296 479274774 /nfs/dbraw/zinc/27/47/74/479274774.db2.gz PJITWXRTHJXXPF-KOLCDFICSA-N 0 0 344.314 2.836 10 5 EFBERN COc1cc(CSC[C@H](OC)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596388647 479275112 /nfs/dbraw/zinc/27/51/12/479275112.db2.gz MEIWIODGYBZOQC-WFASDCNBSA-N 0 0 327.402 2.888 10 5 EFBERN COCc1ccnc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000593290793 479278069 /nfs/dbraw/zinc/27/80/69/479278069.db2.gz QDVWVBWJTZHGCK-UHFFFAOYSA-N 0 0 330.344 2.800 10 5 EFBERN COCc1ccnc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000593290482 479278295 /nfs/dbraw/zinc/27/82/95/479278295.db2.gz FZGNBYNFMSPHGB-UHFFFAOYSA-N 0 0 330.344 2.500 10 5 EFBERN CC(C)C1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611078918 479278641 /nfs/dbraw/zinc/27/86/41/479278641.db2.gz BVYFKAQVIDQBLU-UHFFFAOYSA-N 0 0 329.356 2.636 10 5 EFBERN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593292956 479280050 /nfs/dbraw/zinc/28/00/50/479280050.db2.gz CVXWHTZIRDEXAS-CQSZACIVSA-N 0 0 333.388 2.810 10 5 EFBERN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCOC1 ZINC000593294754 479280430 /nfs/dbraw/zinc/28/04/30/479280430.db2.gz IMKDWVWQROFSTN-NSHDSACASA-N 0 0 344.314 2.837 10 5 EFBERN CCOc1cc(CSCc2nc(N(C)C)no2)ccc1[N+](=O)[O-] ZINC000596411203 479285300 /nfs/dbraw/zinc/28/53/00/479285300.db2.gz UJRWDVWIGJKDHX-UHFFFAOYSA-N 0 0 338.389 2.876 10 5 EFBERN Cc1sc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000599404744 479286177 /nfs/dbraw/zinc/28/61/77/479286177.db2.gz SNVSCVNGKNDCHZ-ZJUUUORDSA-N 0 0 348.471 2.623 10 5 EFBERN C[C@@H](NC(=O)c1cccc2oc(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000557538080 479286454 /nfs/dbraw/zinc/28/64/54/479286454.db2.gz SPRQLCIDEHTXIC-SECBINFHSA-N 0 0 327.296 2.933 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596420708 479288237 /nfs/dbraw/zinc/28/82/37/479288237.db2.gz ZRPOXERVDNBDII-CXAGYDPISA-N 0 0 343.383 2.559 10 5 EFBERN O=[N+]([O-])c1sccc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596424989 479288633 /nfs/dbraw/zinc/28/86/33/479288633.db2.gz VYJOBRLKRHYGQA-CQSZACIVSA-N 0 0 333.413 2.835 10 5 EFBERN O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1csc([N+](=O)[O-])c1 ZINC000593314787 479290171 /nfs/dbraw/zinc/29/01/71/479290171.db2.gz IGTQVBHRWUNRIK-OLZOCXBDSA-N 0 0 333.369 2.701 10 5 EFBERN C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593316642 479291037 /nfs/dbraw/zinc/29/10/37/479291037.db2.gz LJFAAHBGABAUCL-ZDUSSCGKSA-N 0 0 334.372 2.534 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593317929 479291218 /nfs/dbraw/zinc/29/12/18/479291218.db2.gz ZRABKKCYFCZMCS-CQSZACIVSA-N 0 0 341.314 2.544 10 5 EFBERN CC[C@@H](NC(=O)NCc1cc(C)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000611135175 479291872 /nfs/dbraw/zinc/29/18/72/479291872.db2.gz CMDUDEDCCOFLCV-OAHLLOKOSA-N 0 0 329.360 2.644 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](O)C(F)(F)C2)cc1C(F)(F)F ZINC000596429196 479291986 /nfs/dbraw/zinc/29/19/86/479291986.db2.gz KVAHPJXSXFVIIQ-JTQLQIEISA-N 0 0 326.221 2.820 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](O)C(F)(F)C1 ZINC000596427870 479291993 /nfs/dbraw/zinc/29/19/93/479291993.db2.gz BJZYSJZVRQBRIS-SNVBAGLBSA-N 0 0 326.221 2.820 10 5 EFBERN C[C@H]1CN(C(=O)CSc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593319556 479292348 /nfs/dbraw/zinc/29/23/48/479292348.db2.gz NKBBFFARPBMWGX-LBPRGKRZSA-N 0 0 336.413 2.857 10 5 EFBERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cscn1 ZINC000596433713 479293414 /nfs/dbraw/zinc/29/34/14/479293414.db2.gz UHKYGNFFDHEOSW-MRVPVSSYSA-N 0 0 327.387 2.628 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H](O)C(F)(F)C3)n2)cc1 ZINC000596433025 479293514 /nfs/dbraw/zinc/29/35/14/479293514.db2.gz RDQQZLREPNPSLB-GFCCVEGCSA-N 0 0 341.339 2.925 10 5 EFBERN Cc1c(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])oc2c1cccc2C ZINC000593320145 479293561 /nfs/dbraw/zinc/29/35/61/479293561.db2.gz PJPJRWKKPREGIO-UHFFFAOYSA-N 0 0 342.355 2.964 10 5 EFBERN NC(=O)c1ccnc(N2CC3(CCCC3)[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000596436389 479294113 /nfs/dbraw/zinc/29/41/13/479294113.db2.gz IZYOBLVSEZPCJD-CQSZACIVSA-N 0 0 342.355 2.803 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000596436916 479294716 /nfs/dbraw/zinc/29/47/16/479294716.db2.gz SAPQBUACZKZKBZ-SECBINFHSA-N 0 0 342.193 2.900 10 5 EFBERN COCc1n[nH]c(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000596436524 479294865 /nfs/dbraw/zinc/29/48/65/479294865.db2.gz ORLGGCLDGKIMOU-UHFFFAOYSA-N 0 0 345.281 2.799 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ncccc2C1 ZINC000611155304 479296041 /nfs/dbraw/zinc/29/60/41/479296041.db2.gz DAAKEBOXRIHABM-UHFFFAOYSA-N 0 0 336.351 2.599 10 5 EFBERN CNc1ccc(C(=O)Nc2cnn(C)c2C(F)F)cc1[N+](=O)[O-] ZINC000611159603 479297024 /nfs/dbraw/zinc/29/70/24/479297024.db2.gz LTQLTIOJGJSWTC-UHFFFAOYSA-N 0 0 325.275 2.560 10 5 EFBERN C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000593326969 479297127 /nfs/dbraw/zinc/29/71/27/479297127.db2.gz KXDGWZKNTAHGGK-ZDUSSCGKSA-N 0 0 342.399 2.715 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H](C)C2)n1 ZINC000593326301 479297246 /nfs/dbraw/zinc/29/72/46/479297246.db2.gz KAQPSCBWKMXOEN-LBPRGKRZSA-N 0 0 328.372 2.613 10 5 EFBERN Cn1ncc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1C(F)F ZINC000611163354 479298203 /nfs/dbraw/zinc/29/82/03/479298203.db2.gz PZRCWFCRZBGBJK-UHFFFAOYSA-N 0 0 339.302 2.630 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000596452475 479300477 /nfs/dbraw/zinc/30/04/77/479300477.db2.gz DKMJOYQYOLKLIL-FZKQIMNGSA-N 0 0 347.415 2.911 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000596452449 479300663 /nfs/dbraw/zinc/30/06/63/479300663.db2.gz DFYZCONZXDHXCO-ZNMIVQPWSA-N 0 0 333.388 2.649 10 5 EFBERN CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000596453679 479300721 /nfs/dbraw/zinc/30/07/21/479300721.db2.gz JUXCXVBZFHBSDX-DZGCQCFKSA-N 0 0 334.420 2.700 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CC=CCC1 ZINC000599445180 479300836 /nfs/dbraw/zinc/30/08/36/479300836.db2.gz LQTZKMSIGZYVPN-LBPRGKRZSA-N 0 0 340.401 2.628 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[C@H]2CC=CCC2)cc1 ZINC000599444690 479301142 /nfs/dbraw/zinc/30/11/42/479301142.db2.gz BJPKXOZIYNHRSZ-AWEZNQCLSA-N 0 0 338.429 2.803 10 5 EFBERN CC[C@H](NC(=O)N1C[C@@H]2COC[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596453151 479301217 /nfs/dbraw/zinc/30/12/17/479301217.db2.gz GXUDRGHENMBIHV-UKPHBRMFSA-N 0 0 333.388 2.724 10 5 EFBERN CC[C@H](NC(=O)N1C[C@@H](C)[C@](C)(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000596455171 479301450 /nfs/dbraw/zinc/30/14/50/479301450.db2.gz PLRWWSQDWYHHSK-PVUWLOKVSA-N 0 0 335.404 2.706 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000596454696 479301662 /nfs/dbraw/zinc/30/16/62/479301662.db2.gz OCFFLXJZEXKJJM-GLQYFDAESA-N 0 0 333.388 2.567 10 5 EFBERN O=C(CN1CC[C@H](C(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611179788 479303306 /nfs/dbraw/zinc/30/33/06/479303306.db2.gz JVGBEUYWUGTDGY-QMMMGPOBSA-N 0 0 333.722 2.774 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cn1 ZINC000557695127 479303740 /nfs/dbraw/zinc/30/37/40/479303740.db2.gz TYDVPGDTYMVZFQ-BRWVUGGUSA-N 0 0 325.368 2.999 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc(OC2CC2)c1F ZINC000596461708 479304807 /nfs/dbraw/zinc/30/48/07/479304807.db2.gz JEZSBHQLBGOMNJ-UHFFFAOYSA-N 0 0 333.319 2.544 10 5 EFBERN C[C@@H]1CC[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CS1(=O)=O ZINC000596462354 479305246 /nfs/dbraw/zinc/30/52/46/479305246.db2.gz ADISBJSOEQYDOC-SCZZXKLOSA-N 0 0 334.344 2.910 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CS1(=O)=O ZINC000596467014 479306663 /nfs/dbraw/zinc/30/66/63/479306663.db2.gz VFNJUNSMJOTDNT-GHMZBOCLSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@@H]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CS1(=O)=O ZINC000596466625 479306741 /nfs/dbraw/zinc/30/67/41/479306741.db2.gz SVIOEASABASECL-PWSUYJOCSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593352653 479307728 /nfs/dbraw/zinc/30/77/28/479307728.db2.gz HAHQMENLYCGSTB-LBPRGKRZSA-N 0 0 346.362 2.509 10 5 EFBERN Cn1ncc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1C(F)F ZINC000611197355 479308039 /nfs/dbraw/zinc/30/80/39/479308039.db2.gz NTVVWRSYMGHFLW-UHFFFAOYSA-N 0 0 335.270 3.000 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593354870 479308048 /nfs/dbraw/zinc/30/80/48/479308048.db2.gz VKQWEIGMGCHQCG-OAHLLOKOSA-N 0 0 348.309 2.652 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593352542 479308256 /nfs/dbraw/zinc/30/82/56/479308256.db2.gz FRKZAHWFACEQMM-CYBMUJFWSA-N 0 0 328.340 2.945 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[C@H]1O ZINC000596468038 479308329 /nfs/dbraw/zinc/30/83/29/479308329.db2.gz FVTABLWEYIHWCA-WOFXILAISA-N 0 0 327.768 2.729 10 5 EFBERN Cc1c(Br)c(N2C[C@H](C)C(O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000596470644 479308716 /nfs/dbraw/zinc/30/87/16/479308716.db2.gz WPAJZIWSDWWMGP-YUMQZZPRSA-N 0 0 344.209 2.514 10 5 EFBERN COc1cccc([C@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)c1 ZINC000596471886 479309429 /nfs/dbraw/zinc/30/94/29/479309429.db2.gz BSYQZCSZYRPDIS-QGZVFWFLSA-N 0 0 329.356 2.735 10 5 EFBERN C[C@]12COC[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000596472777 479309438 /nfs/dbraw/zinc/30/94/38/479309438.db2.gz JITNNJNHFWEPQT-XPTSAGLGSA-N 0 0 325.752 2.748 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000596474107 479309530 /nfs/dbraw/zinc/30/95/30/479309530.db2.gz JLHCKCSOXSAQQG-BBRMVZONSA-N 0 0 343.387 2.861 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2c(C3CC3)cnn2C)c1 ZINC000596474265 479309593 /nfs/dbraw/zinc/30/95/93/479309593.db2.gz ZEDZBCDIEVRJKJ-UHFFFAOYSA-N 0 0 330.344 2.604 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](Oc3ccccc3)C2)n1 ZINC000596471422 479309816 /nfs/dbraw/zinc/30/98/16/479309816.db2.gz RLSZRCNHSQSNAG-AULYBMBSSA-N 0 0 343.339 2.798 10 5 EFBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000593357802 479310023 /nfs/dbraw/zinc/31/00/23/479310023.db2.gz ISPXESNPYFQDSG-SECBINFHSA-N 0 0 328.390 2.849 10 5 EFBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593357683 479310345 /nfs/dbraw/zinc/31/03/45/479310345.db2.gz CWWPCMPDIJGAHX-HNNXBMFYSA-N 0 0 348.309 2.652 10 5 EFBERN Cn1c2cc(NCC[C@]3(C)CC3(F)F)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596476719 479310431 /nfs/dbraw/zinc/31/04/31/479310431.db2.gz GJTOOKFCVAJWND-CQSZACIVSA-N 0 0 340.330 2.633 10 5 EFBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000593360476 479311250 /nfs/dbraw/zinc/31/12/50/479311250.db2.gz YIQMGRRRBLVEFA-CYBMUJFWSA-N 0 0 336.388 2.716 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000596479676 479311306 /nfs/dbraw/zinc/31/13/06/479311306.db2.gz OMXIMYSDUJDZKJ-UONOGXRCSA-N 0 0 335.404 2.789 10 5 EFBERN COc1cccc([C@@]2(C)CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596481862 479312032 /nfs/dbraw/zinc/31/20/32/479312032.db2.gz IBVCFIVALICMOM-KRWDZBQOSA-N 0 0 329.356 2.872 10 5 EFBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593361683 479312065 /nfs/dbraw/zinc/31/20/65/479312065.db2.gz YYPDACIJBLFQDP-OAHLLOKOSA-N 0 0 348.309 2.652 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]2COC[C@]2(C)C1 ZINC000596481643 479312764 /nfs/dbraw/zinc/31/27/64/479312764.db2.gz ZKNCPFGDQWYMHU-DIFFPNOSSA-N 0 0 329.356 2.624 10 5 EFBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)O ZINC000585700505 479313265 /nfs/dbraw/zinc/31/32/65/479313265.db2.gz XMMQMDPUPKGGOR-MRVPVSSYSA-N 0 0 345.193 2.555 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2COC[C@H]2C1 ZINC000596485284 479313250 /nfs/dbraw/zinc/31/32/50/479313250.db2.gz FOLAOZJMFFATTK-VHSXEESVSA-N 0 0 325.752 2.748 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3cc(OC)ccc3C2)c1 ZINC000596484409 479313271 /nfs/dbraw/zinc/31/32/71/479313271.db2.gz PJVKRGUCNHDJQF-UHFFFAOYSA-N 0 0 342.351 2.953 10 5 EFBERN Cc1cc(N2C[C@H]3COC[C@@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596483052 479313357 /nfs/dbraw/zinc/31/33/57/479313357.db2.gz OELQEXCWOABFOO-KBXCAEBGSA-N 0 0 340.383 2.833 10 5 EFBERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596487491 479314389 /nfs/dbraw/zinc/31/43/89/479314389.db2.gz BCWDSXFAXWRYPM-WAAGHKOSSA-N 0 0 341.751 2.664 10 5 EFBERN COCc1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000593369860 479315683 /nfs/dbraw/zinc/31/56/83/479315683.db2.gz UWKGLUNAAGVTJS-LSDHHAIUSA-N 0 0 327.340 2.878 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@H](CO)CC2CC2)ccc1[N+](=O)[O-] ZINC000596492231 479316210 /nfs/dbraw/zinc/31/62/10/479316210.db2.gz OYDZWLVCQQMRFK-JTQLQIEISA-N 0 0 342.779 2.855 10 5 EFBERN Cc1cncc(CCNc2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000596497711 479317829 /nfs/dbraw/zinc/31/78/29/479317829.db2.gz CDKKDFBCBJDAEQ-UHFFFAOYSA-N 0 0 338.165 2.505 10 5 EFBERN CC(C)(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000596502838 479319423 /nfs/dbraw/zinc/31/94/23/479319423.db2.gz NRVFYQGTUKAYGV-UHFFFAOYSA-N 0 0 347.293 2.628 10 5 EFBERN Cc1c[nH]nc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585750511 479321898 /nfs/dbraw/zinc/32/18/98/479321898.db2.gz FLPPDDDCOBOWKZ-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000585757392 479322798 /nfs/dbraw/zinc/32/27/98/479322798.db2.gz LWDRACQDGHOQRA-LLVKDONJSA-N 0 0 347.415 2.993 10 5 EFBERN Cc1cc([C@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)c(O)cc1Cl ZINC000596512364 479323063 /nfs/dbraw/zinc/32/30/63/479323063.db2.gz UTMLGNPMOXSUNE-JTQLQIEISA-N 0 0 336.779 2.990 10 5 EFBERN CCOC(=O)c1ccnc(N2CC3(CCCC3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596516576 479325095 /nfs/dbraw/zinc/32/50/95/479325095.db2.gz VFPMXYVQTZFPDJ-GFCCVEGCSA-N 0 0 349.387 2.704 10 5 EFBERN CC(C)[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC000596516889 479325314 /nfs/dbraw/zinc/32/53/14/479325314.db2.gz IWRXVHXRKLMCIU-SJORKVTESA-N 0 0 343.383 2.864 10 5 EFBERN CC(C)[C@@H](O)[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000596517158 479325571 /nfs/dbraw/zinc/32/55/71/479325571.db2.gz ZVDZLLGKPBUPLJ-DLBZAZTESA-N 0 0 343.383 2.864 10 5 EFBERN CCS(=O)(=O)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000596520222 479326212 /nfs/dbraw/zinc/32/62/12/479326212.db2.gz GBFOZPQOCBDDDU-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN CCC(=O)c1ccc(NCC2(S(=O)(=O)CC)CC2)c([N+](=O)[O-])c1 ZINC000596521705 479327270 /nfs/dbraw/zinc/32/72/70/479327270.db2.gz TVUCPTCZKJJUOX-UHFFFAOYSA-N 0 0 340.401 2.567 10 5 EFBERN CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000599547243 479327544 /nfs/dbraw/zinc/32/75/44/479327544.db2.gz ABFDVNVNVNOKPM-INIZCTEOSA-N 0 0 348.330 2.989 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3ccon3)CC2)s1 ZINC000596526829 479329163 /nfs/dbraw/zinc/32/91/63/479329163.db2.gz QNVCGBPTKFIMGJ-UHFFFAOYSA-N 0 0 331.357 2.972 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC3(COC3)C2)nc1OCc1ccccc1 ZINC000596528825 479329232 /nfs/dbraw/zinc/32/92/32/479329232.db2.gz CAZMWNFJHWKRBW-UHFFFAOYSA-N 0 0 341.367 2.796 10 5 EFBERN Cc1c(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000585800614 479331147 /nfs/dbraw/zinc/33/11/47/479331147.db2.gz BSVQNUUVBGPCNA-CGTJXYLNSA-N 0 0 334.416 2.655 10 5 EFBERN O=[N+]([O-])c1ccc2nc(NCC3(O)CCC(F)(F)CC3)ccc2c1 ZINC000596534578 479331387 /nfs/dbraw/zinc/33/13/87/479331387.db2.gz ORCFGTADNDWWCK-UHFFFAOYSA-N 0 0 337.326 2.917 10 5 EFBERN CCOc1cc(NCCN2C[C@@H]3CCCCN3C2=O)ccc1[N+](=O)[O-] ZINC000596536717 479331944 /nfs/dbraw/zinc/33/19/44/479331944.db2.gz ZLIZDWINGZVHIY-AWEZNQCLSA-N 0 0 348.403 2.696 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596535304 479332257 /nfs/dbraw/zinc/33/22/57/479332257.db2.gz ISJBZUSRIVTVDO-CYBMUJFWSA-N 0 0 342.399 2.884 10 5 EFBERN C[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CCCCC1 ZINC000596540281 479332999 /nfs/dbraw/zinc/33/29/99/479332999.db2.gz JVJGRYMRSCSOSM-NSHDSACASA-N 0 0 341.433 2.871 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nnc(C3CC3)[nH]2)c1 ZINC000593419653 479333232 /nfs/dbraw/zinc/33/32/32/479333232.db2.gz BWPNFHLICYHKGG-UHFFFAOYSA-N 0 0 334.357 2.669 10 5 EFBERN CC1(C)OCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000596542430 479334152 /nfs/dbraw/zinc/33/41/52/479334152.db2.gz IFHIMDMBYIKKCZ-QMMMGPOBSA-N 0 0 330.182 2.979 10 5 EFBERN CCc1cc(=O)[nH]c(SCc2cc(C(=O)OC)ccc2[N+](=O)[O-])n1 ZINC000593421658 479334350 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Cc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000586374019 479340258 /nfs/dbraw/zinc/34/02/58/479340258.db2.gz DLOKQXXOQUGKLH-UHFFFAOYSA-N 0 0 331.397 2.927 10 5 EFBERN COc1cc(N2CCn3c(nnc3C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000596560048 479340733 /nfs/dbraw/zinc/34/07/33/479340733.db2.gz VMLKTVWBIWCWBK-UHFFFAOYSA-N 0 0 349.366 2.652 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)SCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000593437429 479340773 /nfs/dbraw/zinc/34/07/73/479340773.db2.gz MOGRJRRCUOMNIZ-LLVKDONJSA-N 0 0 334.401 2.897 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1N1C[C@]34COC[C@@]3(C1)CCCC4)CCN2 ZINC000596567429 479342356 /nfs/dbraw/zinc/34/23/56/479342356.db2.gz NSOWAIDEQYINNE-HDICACEKSA-N 0 0 329.400 2.960 10 5 EFBERN COc1cc(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000596572848 479344111 /nfs/dbraw/zinc/34/41/11/479344111.db2.gz HICRKFQZRHJTBK-XLKFXECMSA-N 0 0 334.294 2.991 10 5 EFBERN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000596573921 479345293 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EFBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000586771322 479349270 /nfs/dbraw/zinc/34/92/70/479349270.db2.gz SIJGNIUQPRXTHJ-TVQRCGJNSA-N 0 0 330.793 2.730 10 5 EFBERN CCOC1(c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)CCC1 ZINC000596590340 479349916 /nfs/dbraw/zinc/34/99/16/479349916.db2.gz AZUGKLVLTWWILN-UHFFFAOYSA-N 0 0 333.344 2.993 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000586777523 479349875 /nfs/dbraw/zinc/34/98/75/479349875.db2.gz QWQZGEONJZHDOY-MFKMUULPSA-N 0 0 334.294 2.625 10 5 EFBERN CCC(=O)N1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593459101 479349906 /nfs/dbraw/zinc/34/99/06/479349906.db2.gz XSBYLZWSEOOEPZ-UHFFFAOYSA-N 0 0 328.372 2.592 10 5 EFBERN COc1cc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000586776986 479349971 /nfs/dbraw/zinc/34/99/71/479349971.db2.gz BGUJIGRBNMZMGP-ZANVPECISA-N 0 0 334.294 2.755 10 5 EFBERN COc1cc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000586776983 479350165 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333.344 2.860 10 5 EFBERN CC1(C)Cc2n[nH]cc2CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000596597339 479353796 /nfs/dbraw/zinc/35/37/96/479353796.db2.gz PFKAAOVAJABZAB-UHFFFAOYSA-N 0 0 340.387 2.779 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCC(=O)OC(C)(C)C ZINC000611345344 479354470 /nfs/dbraw/zinc/35/44/70/479354470.db2.gz PPLODGFHOPUJPR-UHFFFAOYSA-N 0 0 337.376 2.540 10 5 EFBERN Cc1nccnc1-c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000596601901 479355035 /nfs/dbraw/zinc/35/50/35/479355035.db2.gz IMNPIRCKNJVFHF-UHFFFAOYSA-N 0 0 338.327 2.768 10 5 EFBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC2(CCOCC2)O1 ZINC000593468682 479355868 /nfs/dbraw/zinc/35/58/68/479355868.db2.gz KCAXWSBLZTZBSN-CYBMUJFWSA-N 0 0 343.383 2.917 10 5 EFBERN CCC1(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CCC1 ZINC000599621858 479356161 /nfs/dbraw/zinc/35/61/61/479356161.db2.gz IKKFCJXXJXFROX-UHFFFAOYSA-N 0 0 332.335 2.982 10 5 EFBERN CC[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@]2(CCOC2)O1 ZINC000593471396 479356299 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CC1(C)CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[S@@]1=O ZINC000593483537 479361612 /nfs/dbraw/zinc/36/16/12/479361612.db2.gz ZQDKJLZRWPKJIC-QHCPKHFHSA-N 0 0 333.413 2.880 10 5 EFBERN C[C@@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611377850 479361765 /nfs/dbraw/zinc/36/17/65/479361765.db2.gz LNCWCDICYIPPKI-GFCCVEGCSA-N 0 0 342.355 2.594 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)Cn2ccc(C(F)F)n2)cc1[N+](=O)[O-] ZINC000599637977 479362520 /nfs/dbraw/zinc/36/25/20/479362520.db2.gz YNDYBVNOAVIEQX-SNVBAGLBSA-N 0 0 338.314 2.915 10 5 EFBERN COc1cc(NC[C@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000593484040 479362898 /nfs/dbraw/zinc/36/28/98/479362898.db2.gz LTAIMHQNVYUEHZ-SFHVURJKSA-N 0 0 328.368 2.892 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000596626767 479363489 /nfs/dbraw/zinc/36/34/89/479363489.db2.gz RDHXONBKHGQZCD-INIZCTEOSA-N 0 0 335.360 2.636 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCn2c(CC3CC3)nnc2C1 ZINC000593490486 479364753 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C[C@H]1C[C@@H]1c1noc(CC2CCN(c3cccnc3[N+](=O)[O-])CC2)n1 ZINC000593503705 479368201 /nfs/dbraw/zinc/36/82/01/479368201.db2.gz UJHVXWDAGDPVBZ-AAEUAGOBSA-N 0 0 343.387 2.955 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000593500745 479368247 /nfs/dbraw/zinc/36/82/47/479368247.db2.gz SMNJKQHERJUXLJ-QGZVFWFLSA-N 0 0 336.363 2.696 10 5 EFBERN C[C@@H]1C[C@@H]1c1noc(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000593503249 479368598 /nfs/dbraw/zinc/36/85/98/479368598.db2.gz QXUNVURHHBOHFE-RISCZKNCSA-N 0 0 343.387 2.955 10 5 EFBERN COC(=O)[C@@](C)(NCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000599650269 479369416 /nfs/dbraw/zinc/36/94/16/479369416.db2.gz HCZSBMFOPVVCHP-HNNXBMFYSA-N 0 0 335.385 2.538 10 5 EFBERN Nc1cc(NCCOc2cccc(Cl)c2)cc(CO)c1[N+](=O)[O-] ZINC000587253062 479370673 /nfs/dbraw/zinc/37/06/73/479370673.db2.gz AHFNVRJUVAXKEN-UHFFFAOYSA-N 0 0 337.763 2.814 10 5 EFBERN CC(=O)c1ccc(N[C@H]2C[C@H](N3CCOCC3)C2(C)C)c([N+](=O)[O-])c1 ZINC000603401164 479371354 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Cn1c(=O)ccc2c1CCC[C@H]2Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000593519576 479375537 /nfs/dbraw/zinc/37/55/37/479375537.db2.gz HPAPQAAKMAIWOF-LLVKDONJSA-N 0 0 334.763 2.831 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](n3ccnc3)C2)s1 ZINC000587866592 479375850 /nfs/dbraw/zinc/37/58/50/479375850.db2.gz DTQOAUVSFSGKDO-JTQLQIEISA-N 0 0 330.373 2.638 10 5 EFBERN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593526470 479377512 /nfs/dbraw/zinc/37/75/12/479377512.db2.gz DLGQMNDLNAFFMJ-HNNXBMFYSA-N 0 0 335.385 2.665 10 5 EFBERN COc1cc(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)ccc1C ZINC000587983447 479378642 /nfs/dbraw/zinc/37/86/42/479378642.db2.gz QBRRTLVCUJPZII-UHFFFAOYSA-N 0 0 331.372 2.641 10 5 EFBERN Nc1cc(N[C@@H]2CCCN(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587979276 479379091 /nfs/dbraw/zinc/37/90/91/479379091.db2.gz OTHWYPPIJCBKMW-CQSZACIVSA-N 0 0 342.399 2.750 10 5 EFBERN CC(C)(C)[C@H]1OCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587981476 479379201 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EFBERN Nc1cc(N2CCOC3(C2)CCCCCC3)cc(CO)c1[N+](=O)[O-] ZINC000588000642 479382266 /nfs/dbraw/zinc/38/22/66/479382266.db2.gz UXBJDNNJDPXOKM-UHFFFAOYSA-N 0 0 335.404 2.599 10 5 EFBERN Nc1cc(N[C@H]2CCOC3(CCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588001996 479382349 /nfs/dbraw/zinc/38/23/49/479382349.db2.gz VTMIWZGOLSFBRU-ZDUSSCGKSA-N 0 0 335.404 2.963 10 5 EFBERN Cc1ccccc1CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544036 479382951 /nfs/dbraw/zinc/38/29/51/479382951.db2.gz UDTUJDSWLALMMF-UHFFFAOYSA-N 0 0 349.412 2.598 10 5 EFBERN CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542860 479383215 /nfs/dbraw/zinc/38/32/15/479383215.db2.gz KLFDKJPXHJCPKU-MNOVXSKESA-N 0 0 327.406 2.578 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)c2cnccc2C)c1[N+](=O)[O-] ZINC000588011365 479384068 /nfs/dbraw/zinc/38/40/68/479384068.db2.gz BGRHDXICIVCLSK-LLVKDONJSA-N 0 0 330.344 2.961 10 5 EFBERN CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588011385 479384168 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Cc1cc(C)cc(C[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593554812 479386449 /nfs/dbraw/zinc/38/64/49/479386449.db2.gz GOFKIMZEFMJEOO-ZDUSSCGKSA-N 0 0 349.412 2.516 10 5 EFBERN Nc1cc(N[C@@H]2C[C@H]2c2c(F)cccc2F)cc(CO)c1[N+](=O)[O-] ZINC000588039280 479386665 /nfs/dbraw/zinc/38/66/65/479386665.db2.gz CZKSKICXSNZORK-QMTHXVAHSA-N 0 0 335.310 2.916 10 5 EFBERN Nc1cc(NC[C@H]2CCC3(CCCCC3)O2)cc(CO)c1[N+](=O)[O-] ZINC000588031721 479386796 /nfs/dbraw/zinc/38/67/96/479386796.db2.gz NWCDJPUKRNUPMH-CQSZACIVSA-N 0 0 335.404 2.963 10 5 EFBERN CCO[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000588034975 479386843 /nfs/dbraw/zinc/38/68/43/479386843.db2.gz AORRVKXKTJJNLE-INIZCTEOSA-N 0 0 331.372 2.859 10 5 EFBERN COc1cc2c(cc1F)CC[C@@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588043900 479387144 /nfs/dbraw/zinc/38/71/44/479387144.db2.gz SRBYVXQENFKYQC-HNNXBMFYSA-N 0 0 347.346 2.916 10 5 EFBERN CSCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000603451382 479387714 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CC[C@@H](NC(=O)c1ccnc2[nH]cnc21)c1cccc([N+](=O)[O-])c1 ZINC000611488193 479392885 /nfs/dbraw/zinc/39/28/85/479392885.db2.gz ZUBADUUISJQTQO-CYBMUJFWSA-N 0 0 325.328 2.747 10 5 EFBERN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(c2ccccc2F)CC1 ZINC000611489101 479392969 /nfs/dbraw/zinc/39/29/69/479392969.db2.gz PLWOONJSSQRKPA-UHFFFAOYSA-N 0 0 341.342 2.745 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000593583051 479393302 /nfs/dbraw/zinc/39/33/02/479393302.db2.gz REXNZXCFRBCRRH-DZGCQCFKSA-N 0 0 338.379 2.532 10 5 EFBERN COC(=O)[C@@H]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000599689875 479393425 /nfs/dbraw/zinc/39/34/25/479393425.db2.gz LDRKJYZSBBFGLF-CLLJXQQHSA-N 0 0 336.388 2.765 10 5 EFBERN CCC1(CC)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593580843 479393570 /nfs/dbraw/zinc/39/35/70/479393570.db2.gz DKEYFUBCTUOQBW-UHFFFAOYSA-N 0 0 341.433 2.971 10 5 EFBERN COC(=O)c1nn(Cc2ccc(OC)c([N+](=O)[O-])c2)c2c1CCCC2 ZINC000611496153 479395704 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ZINC000611506437 479399738 /nfs/dbraw/zinc/39/97/38/479399738.db2.gz MFIOETILOQJDGX-ABAIWWIYSA-N 0 0 332.335 2.601 10 5 EFBERN CN([C@H]1CCC[C@@H]1C(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593610275 479401577 /nfs/dbraw/zinc/40/15/77/479401577.db2.gz XDGMRRZGANTGLI-STQMWFEESA-N 0 0 341.433 2.825 10 5 EFBERN Cc1cccc(C2(NS(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCC2)c1 ZINC000593612267 479401668 /nfs/dbraw/zinc/40/16/68/479401668.db2.gz HLNAGQMKZUUKRG-UHFFFAOYSA-N 0 0 347.396 2.656 10 5 EFBERN CN([C@@H]1CCC[C@H]1C(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593610272 479402386 /nfs/dbraw/zinc/40/23/86/479402386.db2.gz XDGMRRZGANTGLI-CHWSQXEVSA-N 0 0 341.433 2.825 10 5 EFBERN COc1cc(CN(C)[C@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000611516754 479403036 /nfs/dbraw/zinc/40/30/36/479403036.db2.gz RHWPERNSUYYFKB-AWEZNQCLSA-N 0 0 330.388 2.846 10 5 EFBERN Nc1cc(NCCc2c[nH]c3ccccc23)cc(CO)c1[N+](=O)[O-] ZINC000611525272 479405177 /nfs/dbraw/zinc/40/51/77/479405177.db2.gz SQIMOEAFRWBFGE-UHFFFAOYSA-N 0 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COc1ccc(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000611560769 479415921 /nfs/dbraw/zinc/41/59/21/479415921.db2.gz QOMJGXRISUNANI-INIZCTEOSA-N 0 0 339.355 2.933 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000593666726 479416476 /nfs/dbraw/zinc/41/64/76/479416476.db2.gz QLFKZPYZMPTBLO-ZDUSSCGKSA-N 0 0 346.355 2.631 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593665578 479416602 /nfs/dbraw/zinc/41/66/02/479416602.db2.gz IZRWQVXVMFZNHH-CYBMUJFWSA-N 0 0 346.355 2.577 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599766511 479418283 /nfs/dbraw/zinc/41/82/83/479418283.db2.gz NVFLVMBUMCOEAD-WKPIXPDZSA-N 0 0 344.758 2.525 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599765281 479418583 /nfs/dbraw/zinc/41/85/83/479418583.db2.gz BRMFKBDOCSLFAG-BYCMXARLSA-N 0 0 344.758 2.525 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599774579 479421232 /nfs/dbraw/zinc/42/12/32/479421232.db2.gz VPRGWFNLGLMQAQ-SUMWQHHRSA-N 0 0 333.388 2.838 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OC(F)F)C1 ZINC000611576674 479422456 /nfs/dbraw/zinc/42/24/56/479422456.db2.gz CWLIBVHBTWOZCA-MFKMUULPSA-N 0 0 343.330 2.625 10 5 EFBERN COc1ccc(OCCN2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611579054 479423521 /nfs/dbraw/zinc/42/35/21/479423521.db2.gz HLWPLPNKNQGFBO-GFCCVEGCSA-N 0 0 346.330 2.686 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000596775730 479423543 /nfs/dbraw/zinc/42/35/43/479423543.db2.gz DJKWUHJOBFEGSA-IRXDYDNUSA-N 0 0 340.379 2.983 10 5 EFBERN Cn1ccnc1[C@H](NCCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593692464 479425391 /nfs/dbraw/zinc/42/53/91/479425391.db2.gz ZFCADAKQKGAQJA-MRXNPFEDSA-N 0 0 344.415 2.560 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](OC(F)F)C1 ZINC000611585570 479425663 /nfs/dbraw/zinc/42/56/63/479425663.db2.gz ICIYRHBODSLZPE-JTQLQIEISA-N 0 0 339.298 2.920 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599788285 479425927 /nfs/dbraw/zinc/42/59/27/479425927.db2.gz BNHJILQSZVHWBU-XHDPSFHLSA-N 0 0 335.360 2.683 10 5 EFBERN COCc1ccnc(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000593696208 479426656 /nfs/dbraw/zinc/42/66/56/479426656.db2.gz FMLMZODXXSXHKB-GFCCVEGCSA-N 0 0 344.371 2.965 10 5 EFBERN O=C([C@@H]1CCCC2(CC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596786582 479427141 /nfs/dbraw/zinc/42/71/41/479427141.db2.gz UETFGDRHSYEYPQ-CQSZACIVSA-N 0 0 344.415 2.609 10 5 EFBERN CCOC1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000611614797 479429393 /nfs/dbraw/zinc/42/93/93/479429393.db2.gz BIHLKELSHHXPAJ-UHFFFAOYSA-N 0 0 344.314 2.837 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1 ZINC000611615794 479429479 /nfs/dbraw/zinc/42/94/79/479429479.db2.gz ACADRROBNXZSAA-AWEZNQCLSA-N 0 0 334.420 2.595 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C(=O)N(C)C(C)C)CC2)n1 ZINC000611615954 479429532 /nfs/dbraw/zinc/42/95/32/479429532.db2.gz NHOAZDAUIPRHIH-UHFFFAOYSA-N 0 0 334.420 2.690 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN([C@H](C)c3cccnc3)CC2)n1 ZINC000611616420 479430220 /nfs/dbraw/zinc/43/02/20/479430220.db2.gz NFFZKBSFDWKKGM-OAHLLOKOSA-N 0 0 341.415 2.885 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(C(=O)C3CCCC3)C2)n1 ZINC000611617084 479430339 /nfs/dbraw/zinc/43/03/39/479430339.db2.gz BYUVFBJQEWEJTJ-AWEZNQCLSA-N 0 0 332.404 2.810 10 5 EFBERN COc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc1 ZINC000611616143 479430495 /nfs/dbraw/zinc/43/04/95/479430495.db2.gz RAOBJVQQVIZZPW-UHFFFAOYSA-N 0 0 339.254 2.852 10 5 EFBERN CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000611616689 479431036 /nfs/dbraw/zinc/43/10/36/479431036.db2.gz DRRFXCXYULSNLH-CABCVRRESA-N 0 0 334.420 2.832 10 5 EFBERN CC(C)(NC(=O)Cc1cn2c(n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000593721067 479433784 /nfs/dbraw/zinc/43/37/84/479433784.db2.gz JSALZOZTKRWLRR-UHFFFAOYSA-N 0 0 342.399 2.722 10 5 EFBERN C[C@@H]1COCC[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599825935 479440242 /nfs/dbraw/zinc/44/02/42/479440242.db2.gz SRSRRPXVSHBFLS-SCZZXKLOSA-N 0 0 343.177 2.512 10 5 EFBERN CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599829651 479441968 /nfs/dbraw/zinc/44/19/68/479441968.db2.gz APEPNKZNTUETAF-UHFFFAOYSA-N 0 0 330.344 2.786 10 5 EFBERN C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829843 479442358 /nfs/dbraw/zinc/44/23/58/479442358.db2.gz MSNUKFLVBYSELX-GFCCVEGCSA-N 0 0 343.387 2.606 10 5 EFBERN Cc1cc(NC(=O)Nc2ccn(C3CCOCC3)n2)ccc1[N+](=O)[O-] ZINC000596822515 479442262 /nfs/dbraw/zinc/44/22/62/479442262.db2.gz DHGKEZAMFWLXTK-UHFFFAOYSA-N 0 0 345.359 2.517 10 5 EFBERN C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829143 479442705 /nfs/dbraw/zinc/44/27/05/479442705.db2.gz AHVOQZONOGQKBW-NEPJUHHUSA-N 0 0 344.371 2.768 10 5 EFBERN O=C(NCC1CCOCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829541 479442718 /nfs/dbraw/zinc/44/27/18/479442718.db2.gz HMXQRKHRZAKJNK-UHFFFAOYSA-N 0 0 330.344 2.691 10 5 EFBERN CCN(CC(C)(C)O)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830938 479442926 /nfs/dbraw/zinc/44/29/26/479442926.db2.gz FZIONLQBGMSEHC-UHFFFAOYSA-N 0 0 332.360 2.768 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC2(COC2)C1 ZINC000596828079 479442993 /nfs/dbraw/zinc/44/29/93/479442993.db2.gz ICZHRUBHWKAJID-UHFFFAOYSA-N 0 0 345.277 2.868 10 5 EFBERN C[C@H](O)C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831575 479443075 /nfs/dbraw/zinc/44/30/75/479443075.db2.gz OXMMXRJLFKGWHY-NWDGAFQWSA-N 0 0 344.371 2.910 10 5 EFBERN CC[C@@H](CCO)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830957 479443111 /nfs/dbraw/zinc/44/31/11/479443111.db2.gz GWLFHDXRYWMXIZ-NSHDSACASA-N 0 0 332.360 2.673 10 5 EFBERN C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCCO1 ZINC000599832300 479443497 /nfs/dbraw/zinc/44/34/97/479443497.db2.gz VQMLHZQYLBOQJJ-MRXNPFEDSA-N 0 0 330.344 2.834 10 5 EFBERN CC(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599831331 479443747 /nfs/dbraw/zinc/44/37/47/479443747.db2.gz QUVNLTJBUNFQMX-UHFFFAOYSA-N 0 0 343.387 2.701 10 5 EFBERN CC(C)[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830649 479443904 /nfs/dbraw/zinc/44/39/04/479443904.db2.gz WEBUHZKHYPBFOM-INIZCTEOSA-N 0 0 332.360 2.672 10 5 EFBERN CC1(CO)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599832880 479444388 /nfs/dbraw/zinc/44/43/88/479444388.db2.gz MDQIZDLKGUKDAC-UHFFFAOYSA-N 0 0 344.371 2.769 10 5 EFBERN CN(CC1=CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833838 479444456 /nfs/dbraw/zinc/44/44/56/479444456.db2.gz AZTVDUWUKFFUIN-UHFFFAOYSA-N 0 0 342.355 2.953 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCO[C@H](C2CC2)C1 ZINC000599832836 479445003 /nfs/dbraw/zinc/44/50/03/479445003.db2.gz KVQZGSMLYUSZPJ-INIZCTEOSA-N 0 0 342.355 2.786 10 5 EFBERN O=C(NC[C@H](CO)CC1CC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834086 479445598 /nfs/dbraw/zinc/44/55/98/479445598.db2.gz FNOVRACVXQERBE-GFCCVEGCSA-N 0 0 344.371 2.673 10 5 EFBERN COc1ccc(NC(=O)N2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000596832308 479445656 /nfs/dbraw/zinc/44/56/56/479445656.db2.gz NZULRJHMYISJAU-MRXNPFEDSA-N 0 0 335.360 2.636 10 5 EFBERN Nc1c(C(=O)N2CCC(F)(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000588834864 479445750 /nfs/dbraw/zinc/44/57/50/479445750.db2.gz MZKPBYJCYLIGOU-UHFFFAOYSA-N 0 0 344.346 2.673 10 5 EFBERN CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834928 479445706 /nfs/dbraw/zinc/44/57/06/479445706.db2.gz PJSJRZSGFZLEFP-LBPRGKRZSA-N 0 0 343.387 2.749 10 5 EFBERN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1CO ZINC000599834924 479445825 /nfs/dbraw/zinc/44/58/25/479445825.db2.gz PHRZOMZZRKVASG-NWDGAFQWSA-N 0 0 344.371 2.625 10 5 EFBERN CC[C@@H](C)N(CCO)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833977 479445967 /nfs/dbraw/zinc/44/59/67/479445967.db2.gz CEELDMHKGNPHHC-LLVKDONJSA-N 0 0 332.360 2.768 10 5 EFBERN O=C(NCC[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833919 479445983 /nfs/dbraw/zinc/44/59/83/479445983.db2.gz ZHJNVBVGFIEFRY-NSHDSACASA-N 0 0 330.344 2.691 10 5 EFBERN COCC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834002 479446063 /nfs/dbraw/zinc/44/60/63/479446063.db2.gz CZZROCSAJHOLRL-UHFFFAOYSA-N 0 0 332.360 2.937 10 5 EFBERN CO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599835794 479446516 /nfs/dbraw/zinc/44/65/16/479446516.db2.gz OLAMVJPEYIQCPY-PHIMTYICSA-N 0 0 330.344 2.784 10 5 EFBERN O=C(NCCC1(CO)CCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835717 479446780 /nfs/dbraw/zinc/44/67/80/479446780.db2.gz YZQZPFSQWUVESU-UHFFFAOYSA-N 0 0 344.371 2.817 10 5 EFBERN COc1ccc(NC(=O)N2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596833497 479446806 /nfs/dbraw/zinc/44/68/06/479446806.db2.gz XLCAJUDKNNYLBQ-NSHDSACASA-N 0 0 335.360 2.779 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000599836804 479446998 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C[C@H]1[C@@H](CO)CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599840847 479450472 /nfs/dbraw/zinc/45/04/72/479450472.db2.gz UNHNFLKCGPHYOU-NWDGAFQWSA-N 0 0 344.371 2.768 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(C2CCOCC2)n1 ZINC000596841489 479450768 /nfs/dbraw/zinc/45/07/68/479450768.db2.gz FQAQHDOUFZJLAO-UHFFFAOYSA-N 0 0 345.359 2.517 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000596842485 479451011 /nfs/dbraw/zinc/45/10/11/479451011.db2.gz MTATUCGOEFRULJ-CQSZACIVSA-N 0 0 329.303 2.791 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccsc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599843996 479451103 /nfs/dbraw/zinc/45/11/03/479451103.db2.gz UXTIZLRLTLWMGU-UONOGXRCSA-N 0 0 346.412 2.820 10 5 EFBERN O=C1[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CCN1c1ccccc1 ZINC000611707363 479451231 /nfs/dbraw/zinc/45/12/31/479451231.db2.gz OOQFXISFCRZVLP-MRXNPFEDSA-N 0 0 349.350 2.755 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)c1ccccn1 ZINC000596842683 479451505 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CCC(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000133545449 521248897 /nfs/dbraw/zinc/24/88/97/521248897.db2.gz RXBSZWVAQBYYHL-UHFFFAOYSA-N 0 0 343.339 2.908 10 5 EFBERN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000192656651 521266185 /nfs/dbraw/zinc/26/61/85/521266185.db2.gz FJTPMISMLWUCHU-MRXNPFEDSA-N 0 0 342.351 2.937 10 5 EFBERN CCOc1cccc(CCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])c1 ZINC000189362281 521330479 /nfs/dbraw/zinc/33/04/79/521330479.db2.gz RVCUQRGJMFDPJZ-UHFFFAOYSA-N 0 0 345.355 2.830 10 5 EFBERN CCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243735 521410330 /nfs/dbraw/zinc/41/03/30/521410330.db2.gz OTOAAOMVRDFXBQ-UHFFFAOYSA-N 0 0 332.428 2.929 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCn1cc(C)cn1 ZINC000156569258 521447856 /nfs/dbraw/zinc/44/78/56/521447856.db2.gz UMXITPUJLFXTNN-UHFFFAOYSA-N 0 0 336.323 2.528 10 5 EFBERN CCOc1ncccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377370 521613210 /nfs/dbraw/zinc/61/32/10/521613210.db2.gz 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COc1cc(C(=O)Nc2c[nH]nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000157353636 522150818 /nfs/dbraw/zinc/15/08/18/522150818.db2.gz RSVZLFFEMCFKIG-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN COc1cc(C(=O)Nc2ccccc2N(C)C(C)=O)ccc1[N+](=O)[O-] ZINC000118263105 522161749 /nfs/dbraw/zinc/16/17/49/522161749.db2.gz KHEBYJPDXXXQDL-UHFFFAOYSA-N 0 0 343.339 2.838 10 5 EFBERN COC(=O)c1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000121086171 522208437 /nfs/dbraw/zinc/20/84/37/522208437.db2.gz QJXOQTWQAWUCGH-UHFFFAOYSA-N 0 0 342.351 2.662 10 5 EFBERN CCc1nnc(C2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC000192664722 522248161 /nfs/dbraw/zinc/24/81/61/522248161.db2.gz PRUZQVIJMRZWMS-UHFFFAOYSA-N 0 0 343.387 2.604 10 5 EFBERN CN(C)c1ncccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117755801 522367583 /nfs/dbraw/zinc/36/75/83/522367583.db2.gz FWUMCXKULPANGB-UHFFFAOYSA-N 0 0 348.790 2.568 10 5 EFBERN CN(C)c1noc([C@H]2CCCN(c3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000193514676 522401974 /nfs/dbraw/zinc/40/19/74/522401974.db2.gz XLVLYRRGGHCOAJ-JTQLQIEISA-N 0 0 335.339 2.567 10 5 EFBERN CCc1noc(C)c1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000120859582 522875480 /nfs/dbraw/zinc/87/54/80/522875480.db2.gz BTWHFKHRHZTJDJ-UHFFFAOYSA-N 0 0 335.316 2.723 10 5 EFBERN COCc1cc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000093316410 522931380 /nfs/dbraw/zinc/93/13/80/522931380.db2.gz GYCNJGHSFNGUGW-NSHDSACASA-N 0 0 345.359 2.722 10 5 EFBERN COCc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000093316408 522933010 /nfs/dbraw/zinc/93/30/10/522933010.db2.gz GYCNJGHSFNGUGW-LLVKDONJSA-N 0 0 345.359 2.722 10 5 EFBERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000151537260 522998533 /nfs/dbraw/zinc/99/85/33/522998533.db2.gz JPZJTXIATBITHG-LBPRGKRZSA-N 0 0 342.417 2.947 10 5 EFBERN COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(F)c1 ZINC000176949735 523137354 /nfs/dbraw/zinc/13/73/54/523137354.db2.gz FOHJLRLNVKVNIV-UHFFFAOYSA-N 0 0 346.314 2.862 10 5 EFBERN CC[C@@H]1CCCCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000155619019 523146610 /nfs/dbraw/zinc/14/66/10/523146610.db2.gz LDHJAPJWMJQISA-CYBMUJFWSA-N 0 0 343.387 2.970 10 5 EFBERN COc1ccc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cn1 ZINC000109587303 523279762 /nfs/dbraw/zinc/27/97/62/523279762.db2.gz JIGMZJQPOUXUGP-UHFFFAOYSA-N 0 0 338.283 2.592 10 5 EFBERN COC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000120092036 523373849 /nfs/dbraw/zinc/37/38/49/523373849.db2.gz SFXTZBBRGYCTKI-UHFFFAOYSA-N 0 0 328.324 2.871 10 5 EFBERN CO[C@@H](C)[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191881534 523439426 /nfs/dbraw/zinc/43/94/26/523439426.db2.gz BNNDQMZALRESAX-YUMQZZPRSA-N 0 0 333.291 2.741 10 5 EFBERN CN(Cc1nc(-c2cccnc2)no1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153907602 523548340 /nfs/dbraw/zinc/54/83/40/523548340.db2.gz YPIIYPPJIOWGJV-UHFFFAOYSA-N 0 0 346.734 2.725 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000192689362 523669655 /nfs/dbraw/zinc/66/96/55/523669655.db2.gz IMGUVMGORRGUFJ-NSHDSACASA-N 0 0 341.375 2.873 10 5 EFBERN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCc2c1cnn2C ZINC000155065933 523773443 /nfs/dbraw/zinc/77/34/43/523773443.db2.gz YNHOYXMZKFCBES-OFAQMXQXSA-N 0 0 340.383 2.878 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000249357511 523785940 /nfs/dbraw/zinc/78/59/40/523785940.db2.gz YXFRCOWSYHHQMV-BJJXKVORSA-N 0 0 346.383 2.850 10 5 EFBERN CCc1ccc(C(=O)N(C)c2ncc(C(=O)OC)s2)cc1[N+](=O)[O-] ZINC000119150216 523880500 /nfs/dbraw/zinc/88/05/00/523880500.db2.gz JFSALZRDHAYPJV-UHFFFAOYSA-N 0 0 349.368 2.677 10 5 EFBERN CO[C@H](C)[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191881524 523896040 /nfs/dbraw/zinc/89/60/40/523896040.db2.gz BNNDQMZALRESAX-JGVFFNPUSA-N 0 0 333.291 2.741 10 5 EFBERN CN(C(=O)c1ccc(-c2ncn(C)n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000182702951 523927419 /nfs/dbraw/zinc/92/74/19/523927419.db2.gz CXLJMEKWGHDJGN-UHFFFAOYSA-N 0 0 337.339 2.667 10 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/nfs/dbraw/zinc/46/56/06/524465606.db2.gz IAIMKTMXNZGUHB-CYBMUJFWSA-N 0 0 341.367 2.942 10 5 EFBERN Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000174394503 534784450 /nfs/dbraw/zinc/78/44/50/534784450.db2.gz RSGVMRJSFKLTTL-OAHLLOKOSA-N 0 0 328.372 2.883 10 5 EFBERN Cc1cccc(N2CCC(Nc3cc(N)ccc3[N+](=O)[O-])CC2)n1 ZINC000193442286 524540526 /nfs/dbraw/zinc/54/05/26/524540526.db2.gz ZQIRWMPRZHUKFL-UHFFFAOYSA-N 0 0 327.388 2.961 10 5 EFBERN Cc1cccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000116670716 524540637 /nfs/dbraw/zinc/54/06/37/524540637.db2.gz MBGPXNZOCQCHKX-UHFFFAOYSA-N 0 0 346.412 2.759 10 5 EFBERN Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000064244794 524588353 /nfs/dbraw/zinc/58/83/53/524588353.db2.gz FSTBVJNKKUJRBY-UHFFFAOYSA-N 0 0 330.362 2.582 10 5 EFBERN Cc1cccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000166990834 524848784 /nfs/dbraw/zinc/84/87/84/524848784.db2.gz PFVZURVDIMZNAF-INIZCTEOSA-N 0 0 326.356 2.979 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000192621093 524903636 /nfs/dbraw/zinc/90/36/36/524903636.db2.gz PRYPGLDMTRRQRS-LBPRGKRZSA-N 0 0 343.387 2.835 10 5 EFBERN Cc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000157708146 524943716 /nfs/dbraw/zinc/94/37/16/524943716.db2.gz LZNRIFUMUILPTP-UHFFFAOYSA-N 0 0 340.383 2.697 10 5 EFBERN Cc1cccc2c1OCC[C@@H]2NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000190653418 524952906 /nfs/dbraw/zinc/95/29/06/524952906.db2.gz FOGKJIIOFAYLNQ-INIZCTEOSA-N 0 0 342.351 2.922 10 5 EFBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188110316 524954837 /nfs/dbraw/zinc/95/48/37/524954837.db2.gz GICUMEXZKRHEKQ-HNNXBMFYSA-N 0 0 327.340 2.739 10 5 EFBERN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000152606234 524971744 /nfs/dbraw/zinc/97/17/44/524971744.db2.gz BHMSEYYALBLCNH-BLLLJJGKSA-N 0 0 342.351 2.655 10 5 EFBERN CC(=O)c1cc(NCCCc2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC000341852218 534823695 /nfs/dbraw/zinc/82/36/95/534823695.db2.gz JXYICGDXPDXMJV-UHFFFAOYSA-N 0 0 339.355 2.885 10 5 EFBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089420640 525124863 /nfs/dbraw/zinc/12/48/63/525124863.db2.gz YYPJDYYELZWSFT-VFZGTOFNSA-N 0 0 338.323 2.974 10 5 EFBERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000117626911 525125617 /nfs/dbraw/zinc/12/56/17/525125617.db2.gz JNIRJVUJCZNATC-YVEFUNNKSA-N 0 0 326.352 2.818 10 5 EFBERN Cc1cc(NC(=O)CCc2ccnn2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000123502881 525130802 /nfs/dbraw/zinc/13/08/02/525130802.db2.gz SVKYVITYEXRYFD-UHFFFAOYSA-N 0 0 339.355 2.756 10 5 EFBERN COc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000119757728 525156258 /nfs/dbraw/zinc/15/62/58/525156258.db2.gz MEJCVLJRTDUZAW-SNVBAGLBSA-N 0 0 347.346 2.692 10 5 EFBERN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1S(C)(=O)=O ZINC000089200883 525245511 /nfs/dbraw/zinc/24/55/11/525245511.db2.gz UCERSIUSUDOREU-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)c(Cl)c1 ZINC000180546605 525314839 /nfs/dbraw/zinc/31/48/39/525314839.db2.gz SVNWYZNDCIXVQS-SSDOTTSWSA-N 0 0 338.726 2.856 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1-n1cccn1 ZINC000153534668 525333917 /nfs/dbraw/zinc/33/39/17/525333917.db2.gz SUQBJBWJOHIOMT-LLVKDONJSA-N 0 0 326.312 2.865 10 5 EFBERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000114295378 525428173 /nfs/dbraw/zinc/42/81/73/525428173.db2.gz SFPMQTUVZYJATB-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000074630195 525428354 /nfs/dbraw/zinc/42/83/54/525428354.db2.gz VZOOHYUFFBJKTQ-UHFFFAOYSA-N 0 0 334.353 2.559 10 5 EFBERN C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000229631266 525437432 /nfs/dbraw/zinc/43/74/32/525437432.db2.gz GKMXOCZFKVISRH-QMMMGPOBSA-N 0 0 325.166 2.931 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC(C)C)CC2)c1 ZINC000067752510 525446614 /nfs/dbraw/zinc/44/66/14/525446614.db2.gz TUQBFNIDLVJGKA-UHFFFAOYSA-N 0 0 336.388 2.881 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000067539776 525448896 /nfs/dbraw/zinc/44/88/96/525448896.db2.gz OZOCHRJGCBFLMZ-AWEZNQCLSA-N 0 0 328.324 2.857 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1COc2ccccc21 ZINC000194686939 525459704 /nfs/dbraw/zinc/45/97/04/525459704.db2.gz XUPIKTTUOGCJAX-AWEZNQCLSA-N 0 0 343.339 2.536 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1COc2ccccc21 ZINC000194686923 525461396 /nfs/dbraw/zinc/46/13/96/525461396.db2.gz XUPIKTTUOGCJAX-CQSZACIVSA-N 0 0 343.339 2.536 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000152391684 525461656 /nfs/dbraw/zinc/46/16/56/525461656.db2.gz PTGVWNRSNRPEKB-INIZCTEOSA-N 0 0 329.356 2.652 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccco1 ZINC000069094318 525472103 /nfs/dbraw/zinc/47/21/03/525472103.db2.gz UMNVMIOZICMNFG-JTQLQIEISA-N 0 0 340.357 2.578 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135468770 525558489 /nfs/dbraw/zinc/55/84/89/525558489.db2.gz PAPHARFWPPAJCJ-KRWDZBQOSA-N 0 0 342.351 2.823 10 5 EFBERN Cc1c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000079314343 525587171 /nfs/dbraw/zinc/58/71/71/525587171.db2.gz ZRPJGGHTBGBFER-DZGCQCFKSA-N 0 0 349.343 2.595 10 5 EFBERN C[C@H](O)C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000235550529 525700917 /nfs/dbraw/zinc/70/09/17/525700917.db2.gz CNJMKFBAFYXQEU-JTQLQIEISA-N 0 0 343.221 2.950 10 5 EFBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@]4(CCOC4)C3)o2)cc1 ZINC000187550136 534881062 /nfs/dbraw/zinc/88/10/62/534881062.db2.gz BOFNRKLWTGMDDC-SFHVURJKSA-N 0 0 344.367 2.846 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3sccc3C2)c1 ZINC000178624633 534885752 /nfs/dbraw/zinc/88/57/52/534885752.db2.gz AGVPGFOWULWXKL-UHFFFAOYSA-N 0 0 338.410 2.544 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000177527163 534887816 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EFBERN C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001687492050 1263243044 /nfs/dbraw/zinc/24/30/44/1263243044.db2.gz QPYOFUPSQNTBND-RGYTYGDFSA-N 0 0 341.367 2.613 10 5 EFBERN COc1ccc(OCCOC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000750083533 1263362406 /nfs/dbraw/zinc/36/24/06/1263362406.db2.gz ACOBULXVAZWVAI-UHFFFAOYSA-N 0 0 332.312 2.543 10 5 EFBERN Cc1cnc2cc(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)ccn12 ZINC001128190396 1263580476 /nfs/dbraw/zinc/58/04/76/1263580476.db2.gz UDCWNSNKJMPQHZ-UHFFFAOYSA-N 0 0 340.339 2.920 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)Oc3c(F)cccc32)n1 ZINC001128207051 1263738032 /nfs/dbraw/zinc/73/80/32/1263738032.db2.gz IQLHJBHDSMFGIQ-JTQLQIEISA-N 0 0 331.303 2.865 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001128216427 1263776857 /nfs/dbraw/zinc/77/68/57/1263776857.db2.gz CFSZZLUNELFFLZ-UHFFFAOYSA-N 0 0 337.767 2.927 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC001128217196 1263779978 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COc1ccc(OC(=O)C(F)(F)C2CCOCC2)cc1[N+](=O)[O-] ZINC000792113974 1278551404 /nfs/dbraw/zinc/55/14/04/1278551404.db2.gz PWHAMTLLWWQDPJ-UHFFFAOYSA-N 0 0 331.271 2.571 10 5 EFBERN CC(=O)NCc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2C)s1 ZINC000743134926 1270434506 /nfs/dbraw/zinc/43/45/06/1270434506.db2.gz RSQRCKASMLVQQE-UHFFFAOYSA-N 0 0 348.380 2.958 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000743545200 1270624771 /nfs/dbraw/zinc/62/47/71/1270624771.db2.gz OQRUXVYDVLIZTQ-SECBINFHSA-N 0 0 338.314 2.598 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(Cl)cc1Cl ZINC000743545372 1270624975 /nfs/dbraw/zinc/62/49/75/1270624975.db2.gz RTVJOBWKNDSDNW-UHFFFAOYSA-N 0 0 343.170 2.723 10 5 EFBERN Cc1cnn(CCOC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000792133812 1278572791 /nfs/dbraw/zinc/57/27/91/1278572791.db2.gz GTJVOHCCSGUQDM-UHFFFAOYSA-N 0 0 343.261 2.976 10 5 EFBERN Cc1ccc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000792136553 1278575079 /nfs/dbraw/zinc/57/50/79/1278575079.db2.gz WVZOIVWBYZKPEW-QPJJXVBHSA-N 0 0 343.295 2.963 10 5 EFBERN O=C(/C=C/C1CC1)OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000744115487 1270899054 /nfs/dbraw/zinc/89/90/54/1270899054.db2.gz CDMKMAMPRDMURV-HBWSCVEGSA-N 0 0 344.367 2.709 10 5 EFBERN C[C@@H]1CCn2ncc(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)c2C1 ZINC000843524712 1278593653 /nfs/dbraw/zinc/59/36/53/1278593653.db2.gz JMYXGKXVTJOCDP-MRVPVSSYSA-N 0 0 336.298 2.904 10 5 EFBERN CCCNC(=O)CCCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000744151096 1270907055 /nfs/dbraw/zinc/90/70/55/1270907055.db2.gz GZQVPWQGWFEHCU-UHFFFAOYSA-N 0 0 342.779 2.988 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cn(C2CCC2)nn1 ZINC000843525974 1278594712 /nfs/dbraw/zinc/59/47/12/1278594712.db2.gz PWDJCLZDPBFZJG-UHFFFAOYSA-N 0 0 349.778 2.837 10 5 EFBERN COC(=O)c1ccc(C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000792120364 1278596315 /nfs/dbraw/zinc/59/63/15/1278596315.db2.gz FTZLUXBAKQTAQV-UHFFFAOYSA-N 0 0 349.270 2.748 10 5 EFBERN COc1ccc(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cn1 ZINC000744316225 1270969511 /nfs/dbraw/zinc/96/95/11/1270969511.db2.gz LMYMTOSAYNLXRH-UHFFFAOYSA-N 0 0 327.296 2.837 10 5 EFBERN Cc1ccsc1[C@H](CO)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843846601 1278604679 /nfs/dbraw/zinc/60/46/79/1278604679.db2.gz VCPGZIPNMTYMCI-NSHDSACASA-N 0 0 338.360 2.876 10 5 EFBERN CCOc1ccc(C(=O)O[C@@H](C)c2nc(CC)no2)cc1[N+](=O)[O-] ZINC000744575915 1271099268 /nfs/dbraw/zinc/09/92/68/1271099268.db2.gz HLUNMKGDXZHEIF-VIFPVBQESA-N 0 0 335.316 2.857 10 5 EFBERN CC(C)c1n[nH]cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000744731032 1271151417 /nfs/dbraw/zinc/15/14/17/1271151417.db2.gz DOIPTOKYGODCCU-SNVBAGLBSA-N 0 0 346.343 2.625 10 5 EFBERN NC(=O)c1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001128847145 1271171158 /nfs/dbraw/zinc/17/11/58/1271171158.db2.gz JOAAQKCMTSSISE-JKSUJKDBSA-N 0 0 340.335 2.541 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1nc(CC(F)(F)F)no1 ZINC000744915121 1271240024 /nfs/dbraw/zinc/24/00/24/1271240024.db2.gz JNYSJEVXFCTOST-UHFFFAOYSA-N 0 0 345.233 2.748 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843863332 1278619219 /nfs/dbraw/zinc/61/92/19/1278619219.db2.gz RKFIOZSBUNWSDN-JTQLQIEISA-N 0 0 333.319 2.937 10 5 EFBERN COc1ccc(OCCOC(=O)C[C@H](C)n2cccc2)c([N+](=O)[O-])c1 ZINC000744956973 1271250023 /nfs/dbraw/zinc/25/00/23/1271250023.db2.gz QJGFSBDSSLCAMC-ZDUSSCGKSA-N 0 0 348.355 2.978 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001649138386 1271306667 /nfs/dbraw/zinc/30/66/67/1271306667.db2.gz LFIHVTPHGZBUDH-NILFDRSVSA-N 0 0 336.388 2.602 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001649138388 1271320753 /nfs/dbraw/zinc/32/07/53/1271320753.db2.gz LFIHVTPHGZBUDH-TUKIKUTGSA-N 0 0 336.388 2.602 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccnc2cc(Cl)ccc21 ZINC001128880276 1271360850 /nfs/dbraw/zinc/36/08/50/1271360850.db2.gz HHIXTRVHPGSDCO-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC001128882443 1271369937 /nfs/dbraw/zinc/36/99/37/1271369937.db2.gz SCGMPFJOHUXTBV-LLVKDONJSA-N 0 0 344.371 2.909 10 5 EFBERN CC(C)(C)[C@@H]1CSCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001128886953 1271416606 /nfs/dbraw/zinc/41/66/06/1271416606.db2.gz FWUIFTHSVOOXQZ-AWEZNQCLSA-N 0 0 338.429 2.964 10 5 EFBERN CC(C)c1cnc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])o1 ZINC000745615054 1271541794 /nfs/dbraw/zinc/54/17/94/1271541794.db2.gz IQOLRXSGPCEANF-UHFFFAOYSA-N 0 0 333.344 2.886 10 5 EFBERN COCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001128932648 1271634376 /nfs/dbraw/zinc/63/43/76/1271634376.db2.gz ZAIFPLXKGLJUTA-UHFFFAOYSA-N 0 0 330.340 2.653 10 5 EFBERN CCOP(=O)(CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1)OCC ZINC000843916257 1278656690 /nfs/dbraw/zinc/65/66/90/1278656690.db2.gz SSSREOWOQGCTNT-UHFFFAOYSA-N 0 0 344.304 2.819 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@]1(O)CCc2ccccc21 ZINC000843952033 1278675705 /nfs/dbraw/zinc/67/57/05/1278675705.db2.gz DGDXWPNXBVARSE-IBGZPJMESA-N 0 0 340.379 2.809 10 5 EFBERN C[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000843935986 1278687302 /nfs/dbraw/zinc/68/73/02/1278687302.db2.gz QYQOELRMMBLYBL-CHWSQXEVSA-N 0 0 342.436 2.648 10 5 EFBERN Cc1nc2c(cccc2NC(=O)CCn2cc([N+](=O)[O-])nc2C)o1 ZINC001128979309 1272354410 /nfs/dbraw/zinc/35/44/10/1272354410.db2.gz JJESWGZNCNIQPA-UHFFFAOYSA-N 0 0 329.316 2.578 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC001128984124 1272482506 /nfs/dbraw/zinc/48/25/06/1272482506.db2.gz BKQHVQCQBQRGPA-UHFFFAOYSA-N 0 0 347.718 2.889 10 5 EFBERN CN=[S@](C)(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001128996755 1272763425 /nfs/dbraw/zinc/76/34/25/1272763425.db2.gz OYRQRGZDGVFIGB-XMMPIXPASA-N 0 0 347.396 2.863 10 5 EFBERN Nc1c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC001169339039 1272852022 /nfs/dbraw/zinc/85/20/22/1272852022.db2.gz IPDPFVJMLRROPA-GFCCVEGCSA-N 0 0 327.340 2.512 10 5 EFBERN CNc1c(C(=O)N2CCOc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC001169352878 1272879852 /nfs/dbraw/zinc/87/98/52/1272879852.db2.gz YIXBOOYPZYITAD-UHFFFAOYSA-N 0 0 345.330 2.810 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000804327410 1272956640 /nfs/dbraw/zinc/95/66/40/1272956640.db2.gz NJQMXGVBFONXEH-ZETCQYMHSA-N 0 0 334.159 2.691 10 5 EFBERN Cc1cccc(OCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000804336122 1273114676 /nfs/dbraw/zinc/11/46/76/1273114676.db2.gz JWLNNQSZVGMWAI-UHFFFAOYSA-N 0 0 331.372 2.859 10 5 EFBERN COc1ccccc1[C@@H](O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804350661 1273452457 /nfs/dbraw/zinc/45/24/57/1273452457.db2.gz QWHZLMRCPGZHJZ-ZDUSSCGKSA-N 0 0 333.300 2.657 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCN(c2ccccn2)CC1 ZINC000804351663 1273474441 /nfs/dbraw/zinc/47/44/41/1273474441.db2.gz AUGWCJNSTWWHCM-UHFFFAOYSA-N 0 0 343.343 2.979 10 5 EFBERN Cc1cc(C(=O)NCc2ncc(C(F)(F)F)cn2)cc([N+](=O)[O-])c1 ZINC001129056328 1273515950 /nfs/dbraw/zinc/51/59/50/1273515950.db2.gz CPODHFPMQIMXDM-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1c(F)ccnc1F ZINC001129367551 1273537653 /nfs/dbraw/zinc/53/76/53/1273537653.db2.gz PBLGKIBMDSZUOO-UHFFFAOYSA-N 0 0 332.266 2.861 10 5 EFBERN Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc(C(N)=O)c1 ZINC001129075056 1273641886 /nfs/dbraw/zinc/64/18/86/1273641886.db2.gz KIMHJCWNLRGCRJ-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc(C(N)=O)c1 ZINC001129075775 1273649636 /nfs/dbraw/zinc/64/96/36/1273649636.db2.gz VRLYEGKPAPJOEI-JTQLQIEISA-N 0 0 345.330 2.883 10 5 EFBERN COc1ccc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c(OC)c1 ZINC001129108882 1273770573 /nfs/dbraw/zinc/77/05/73/1273770573.db2.gz SJJXCGZVIYQGAB-UHFFFAOYSA-N 0 0 346.314 2.954 10 5 EFBERN CCC(CC)N1C[C@@H](C(=O)OCc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC001129135846 1273957483 /nfs/dbraw/zinc/95/74/83/1273957483.db2.gz SSIZBWMGCHSQMA-AWEZNQCLSA-N 0 0 348.399 2.984 10 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/nfs/dbraw/zinc/13/61/49/1275136149.db2.gz YRBBIDVFISPZRW-LLVKDONJSA-N 0 0 343.767 2.517 10 5 EFBERN COc1ccc(COC(=O)c2cn3ccnc3s2)cc1[N+](=O)[O-] ZINC000785819766 1275197329 /nfs/dbraw/zinc/19/73/29/1275197329.db2.gz YTQJJLSUEHFAAU-UHFFFAOYSA-N 0 0 333.325 2.670 10 5 EFBERN Cc1ccc(Sc2ncnn2C)c([N+](=O)[O-])c1Br ZINC000804648762 1280337424 /nfs/dbraw/zinc/33/74/24/1280337424.db2.gz KSJZDDRKUOBKTH-UHFFFAOYSA-N 0 0 329.179 2.945 10 5 EFBERN COC(=O)[C@@H]1CCC[C@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000785945541 1275244894 /nfs/dbraw/zinc/24/48/94/1275244894.db2.gz FCXDKWYUGFFECW-RNCFNFMXSA-N 0 0 325.292 2.623 10 5 EFBERN CNc1ccc(C(=O)O[C@H]2CCC[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000785955750 1275250020 /nfs/dbraw/zinc/25/00/20/1275250020.db2.gz HEMJJODZFRNLCU-JQWIXIFHSA-N 0 0 336.344 2.525 10 5 EFBERN COCCN(Cc1ccnn1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000786231701 1275344176 /nfs/dbraw/zinc/34/41/76/1275344176.db2.gz IFCXIQVRKSIYHF-UHFFFAOYSA-N 0 0 338.795 2.630 10 5 EFBERN Cc1[nH]nc(C(C)C)c1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000786341824 1275360262 /nfs/dbraw/zinc/36/02/62/1275360262.db2.gz WCQDVWSWJPQDSS-UHFFFAOYSA-N 0 0 333.344 2.986 10 5 EFBERN Cc1[nH]nc(C(C)C)c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786340777 1275360474 /nfs/dbraw/zinc/36/04/74/1275360474.db2.gz DFABMDKXJDCBHN-UHFFFAOYSA-N 0 0 346.343 2.545 10 5 EFBERN CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1(C)CCCC1 ZINC000786544002 1275436727 /nfs/dbraw/zinc/43/67/27/1275436727.db2.gz XSRZTDIFOAPBBN-HNNXBMFYSA-N 0 0 331.372 2.879 10 5 EFBERN COc1ccn2c(C(=O)OCc3ccc(C)c([N+](=O)[O-])c3)cnc2c1 ZINC001129247386 1275442106 /nfs/dbraw/zinc/44/21/06/1275442106.db2.gz INSJMLVVZPKHCE-UHFFFAOYSA-N 0 0 341.323 2.917 10 5 EFBERN COc1ccc(OC(=O)C(=O)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000792590355 1278959401 /nfs/dbraw/zinc/95/94/01/1278959401.db2.gz OGPUWLLVDPLHKC-UHFFFAOYSA-N 0 0 341.319 2.880 10 5 EFBERN Cc1cnc(COC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC000786783778 1275527762 /nfs/dbraw/zinc/52/77/62/1275527762.db2.gz WTOYAYDENRIYJP-UHFFFAOYSA-N 0 0 343.295 2.562 10 5 EFBERN CCSCCOC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000786783673 1275528250 /nfs/dbraw/zinc/52/82/50/1275528250.db2.gz NIXFQNGNBDOSFV-UHFFFAOYSA-N 0 0 336.369 2.818 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(Cn2cnnc2)CC1 ZINC000844413563 1278961589 /nfs/dbraw/zinc/96/15/89/1278961589.db2.gz UXUAECIFMNHADQ-UHFFFAOYSA-N 0 0 335.795 2.752 10 5 EFBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786880124 1275581310 /nfs/dbraw/zinc/58/13/10/1275581310.db2.gz LRBIGFDAMJFVLA-HNNXBMFYSA-N 0 0 327.340 2.657 10 5 EFBERN COc1cccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000786968783 1275594616 /nfs/dbraw/zinc/59/46/16/1275594616.db2.gz QTRHDVCHNWZABY-LLVKDONJSA-N 0 0 329.356 2.547 10 5 EFBERN O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cnn(CC(F)(F)F)c1 ZINC000786973819 1275596406 /nfs/dbraw/zinc/59/64/06/1275596406.db2.gz KXHFUNGJXXJPQT-UHFFFAOYSA-N 0 0 343.261 2.753 10 5 EFBERN Cc1ccc(N2C(=O)N[C@@H](CCOC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000804199935 1275620843 /nfs/dbraw/zinc/62/08/43/1275620843.db2.gz MPULOSJONLAZSJ-LBPRGKRZSA-N 0 0 335.360 2.533 10 5 EFBERN Cc1ccc(N2C(=O)N[C@H](CCOC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000804199934 1275621268 /nfs/dbraw/zinc/62/12/68/1275621268.db2.gz MPULOSJONLAZSJ-GFCCVEGCSA-N 0 0 335.360 2.533 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000787116210 1275656428 /nfs/dbraw/zinc/65/64/28/1275656428.db2.gz IUJGLFFTJAENMN-VGTOOOLASA-N 0 0 341.367 2.860 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C12CC(C(F)(F)F)(C1)C2 ZINC000787168898 1275702228 /nfs/dbraw/zinc/70/22/28/1275702228.db2.gz LMPMJFUBOACNJT-UHFFFAOYSA-N 0 0 328.290 2.986 10 5 EFBERN CC(C)(NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)F ZINC000792593566 1278973481 /nfs/dbraw/zinc/97/34/81/1278973481.db2.gz AGXCJERGOIRTPR-UHFFFAOYSA-N 0 0 331.275 2.596 10 5 EFBERN Cc1ccccc1[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787253682 1275724158 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341.770 2.507 10 5 EFBERN Cc1ncc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000746993874 1278014017 /nfs/dbraw/zinc/01/40/17/1278014017.db2.gz UQVLNCZZZYDIHA-UHFFFAOYSA-N 0 0 325.683 2.843 10 5 EFBERN CCOc1ccc(C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000791296908 1278019243 /nfs/dbraw/zinc/01/92/43/1278019243.db2.gz HDTYATSTOAZOOA-GFCCVEGCSA-N 0 0 349.339 2.636 10 5 EFBERN COC/C(C)=C/C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000844519822 1279071651 /nfs/dbraw/zinc/07/16/51/1279071651.db2.gz FJDKHPANNFELIK-FPYGCLRLSA-N 0 0 329.150 2.889 10 5 EFBERN COC(=O)c1cc2c(cc1NCc1ccc([N+](=O)[O-])cc1)OCO2 ZINC000792738724 1279131910 /nfs/dbraw/zinc/13/19/10/1279131910.db2.gz LPNODYSGCVFTPY-UHFFFAOYSA-N 0 0 330.296 2.722 10 5 EFBERN COc1ccc(CNC(=O)N2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000792823783 1279185409 /nfs/dbraw/zinc/18/54/09/1279185409.db2.gz HIECROIDUDQQDN-UHFFFAOYSA-N 0 0 329.303 2.544 10 5 EFBERN Cc1cccn2cc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])nc12 ZINC001144179303 1279198660 /nfs/dbraw/zinc/19/86/60/1279198660.db2.gz ZBIAIDZKAVCKBT-UHFFFAOYSA-N 0 0 328.303 2.620 10 5 EFBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cnc(OCC2CC2)cn1 ZINC000792844255 1279212745 /nfs/dbraw/zinc/21/27/45/1279212745.db2.gz SYRJGSIONYVAOL-UHFFFAOYSA-N 0 0 347.302 2.670 10 5 EFBERN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@]4(CC4(F)F)C3)n2)cc1 ZINC000844755820 1279224846 /nfs/dbraw/zinc/22/48/46/1279224846.db2.gz HRDZGJVJLNYRPQ-AWEZNQCLSA-N 0 0 335.314 2.542 10 5 EFBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000844756831 1279226821 /nfs/dbraw/zinc/22/68/21/1279226821.db2.gz FYJDQHXPNJVIKY-CQSZACIVSA-N 0 0 348.403 2.954 10 5 EFBERN O=C(Nc1ccnc(-n2cccn2)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001134894677 1287334785 /nfs/dbraw/zinc/33/47/85/1287334785.db2.gz IWIPDYSSSCYYMW-JKSUJKDBSA-N 0 0 349.350 2.918 10 5 EFBERN CC(C)(CCC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)[N+](=O)[O-] ZINC000844772855 1279261823 /nfs/dbraw/zinc/26/18/23/1279261823.db2.gz KJHKGXCPMMFFIU-UHFFFAOYSA-N 0 0 326.290 2.715 10 5 EFBERN C[C@]1(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@]1(F)Cl ZINC000844804196 1279265442 /nfs/dbraw/zinc/26/54/42/1279265442.db2.gz CPLGZKWLOJMAHM-KBPBESRZSA-N 0 0 344.726 2.758 10 5 EFBERN CN(CC(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1ccccc1[N+](=O)[O-] ZINC000844809568 1279268127 /nfs/dbraw/zinc/26/81/27/1279268127.db2.gz NHYRBQWVTQWZHC-HUUCEWRRSA-N 0 0 343.786 2.852 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C2CC2)C2CCOCC2)c1F ZINC000844827681 1279280154 /nfs/dbraw/zinc/28/01/54/1279280154.db2.gz AQHJKZZTMHGQPH-INIZCTEOSA-N 0 0 336.363 2.977 10 5 EFBERN CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000844858459 1279288353 /nfs/dbraw/zinc/28/83/53/1279288353.db2.gz KKJGOKMLLUAJPF-NSHDSACASA-N 0 0 344.770 2.957 10 5 EFBERN CC(C)CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000792971176 1279289481 /nfs/dbraw/zinc/28/94/81/1279289481.db2.gz ZOUFMDHEBNSLAG-UHFFFAOYSA-N 0 0 335.404 2.945 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000844902908 1279325222 /nfs/dbraw/zinc/32/52/22/1279325222.db2.gz XAKQQUBGOPNMQP-CQSZACIVSA-N 0 0 325.315 2.926 10 5 EFBERN COc1cc(F)c(OC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000844952028 1279373827 /nfs/dbraw/zinc/37/38/27/1279373827.db2.gz HFQQEOZOQYNBBR-ZDUSSCGKSA-N 0 0 337.303 2.864 10 5 EFBERN COc1cc(F)c(OC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000844952026 1279373851 /nfs/dbraw/zinc/37/38/51/1279373851.db2.gz HFQQEOZOQYNBBR-CYBMUJFWSA-N 0 0 337.303 2.864 10 5 EFBERN Cc1c(C(=O)N2CC[C@]3(CC3(F)F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845012445 1279387603 /nfs/dbraw/zinc/38/76/03/1279387603.db2.gz DENIEDMHUFXZDM-ZDUSSCGKSA-N 0 0 341.270 2.683 10 5 EFBERN C[C@@H]1C[C@H](C)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000795192431 1287340633 /nfs/dbraw/zinc/34/06/33/1287340633.db2.gz BIQAXCYDRZSPSD-OCAPTIKFSA-N 0 0 338.307 2.875 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)c2cc(C)oc2C)c1 ZINC000845070897 1279432406 /nfs/dbraw/zinc/43/24/06/1279432406.db2.gz RBMDYFSFJCQEEF-UHFFFAOYSA-N 0 0 333.296 2.948 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)c2cc(C)n(C)c2C)c1 ZINC000845072834 1279434996 /nfs/dbraw/zinc/43/49/96/1279434996.db2.gz NGFOUHHAJAEUNF-UHFFFAOYSA-N 0 0 346.339 2.694 10 5 EFBERN CC(C)Oc1ccnc(COC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000845088239 1279447675 /nfs/dbraw/zinc/44/76/75/1279447675.db2.gz SUEJRJNUWJUOCA-UHFFFAOYSA-N 0 0 331.328 2.716 10 5 EFBERN C/C(=C/C(=O)OC[C@H]1CN(C2CC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000845145260 1279461884 /nfs/dbraw/zinc/46/18/84/1279461884.db2.gz UWWNBTBNQHYUJR-MEODZPNASA-N 0 0 346.339 2.525 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2cnco2)c1 ZINC001144400155 1279535445 /nfs/dbraw/zinc/53/54/45/1279535445.db2.gz CSSJWQNSTVJSFZ-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSC(=S)N2CCCC2)c1 ZINC000845299364 1279561491 /nfs/dbraw/zinc/56/14/91/1279561491.db2.gz NYCUGFOEBDWXMC-UHFFFAOYSA-N 0 0 340.426 2.995 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCCOC(C)=O)c1 ZINC000845311661 1279568526 /nfs/dbraw/zinc/56/85/26/1279568526.db2.gz MLYJXUJFVRAPDE-UHFFFAOYSA-N 0 0 327.358 2.568 10 5 EFBERN CNc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC001144413442 1279579973 /nfs/dbraw/zinc/57/99/73/1279579973.db2.gz LMHKPSPXNGXITJ-UHFFFAOYSA-N 0 0 333.319 2.584 10 5 EFBERN CC(C)(O)C1CCC(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000845397875 1279592264 /nfs/dbraw/zinc/59/22/64/1279592264.db2.gz APBQUWOETPCBGT-UHFFFAOYSA-N 0 0 349.383 2.898 10 5 EFBERN CCCC[C@@H](Cc1ccccn1)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000747119845 1279671539 /nfs/dbraw/zinc/67/15/39/1279671539.db2.gz KKFLMXLLLKFUET-AWEZNQCLSA-N 0 0 332.360 2.531 10 5 EFBERN C[C@@H]1OCC[C@@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000793426378 1279672665 /nfs/dbraw/zinc/67/26/65/1279672665.db2.gz NOSDADFHEOJGKK-WCBMZHEXSA-N 0 0 331.271 2.778 10 5 EFBERN CCOC(=O)N1CC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000845516191 1279697110 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EFBERN C/C(=C\C(=O)Nc1ccnn1[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000888590896 1287372725 /nfs/dbraw/zinc/37/27/25/1287372725.db2.gz LXLBWBJQCZKGNL-HBIYDYFMSA-N 0 0 342.355 2.795 10 5 EFBERN COC(=O)/C=C/c1ccc(NCCC2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000845738502 1279782778 /nfs/dbraw/zinc/78/27/78/1279782778.db2.gz RXMCUWBLRLANCQ-GQCTYLIASA-N 0 0 334.372 2.746 10 5 EFBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCC1(CO)CCC1 ZINC000845741213 1279809532 /nfs/dbraw/zinc/80/95/32/1279809532.db2.gz UFOPUJPOIJSDBE-UHFFFAOYSA-N 0 0 335.360 2.516 10 5 EFBERN O=c1[nH]c(N2CCC[C@]3(CC3(F)F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000845742571 1279811383 /nfs/dbraw/zinc/81/13/83/1279811383.db2.gz KNFLVOWCGQEENX-AWEZNQCLSA-N 0 0 336.298 2.869 10 5 EFBERN CS(=O)(=O)c1ccc(N2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000845743435 1279812999 /nfs/dbraw/zinc/81/29/99/1279812999.db2.gz IPBBDBWDEQXCRA-ZDUSSCGKSA-N 0 0 346.355 2.624 10 5 EFBERN CC(C)(C)c1ccnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC001134924736 1287377866 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2.906 10 5 EFBERN C[C@]1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(F)Cl ZINC000845974738 1279951205 /nfs/dbraw/zinc/95/12/05/1279951205.db2.gz DNGQBJZMRBVYPX-RYUDHWBXSA-N 0 0 336.772 2.578 10 5 EFBERN NC(=O)CCCCC(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815245570 1287388049 /nfs/dbraw/zinc/38/80/49/1287388049.db2.gz BCOVJGMKFXPTQA-UHFFFAOYSA-N 0 0 348.277 2.703 10 5 EFBERN O=C(Cc1cncnc1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815247969 1287388943 /nfs/dbraw/zinc/38/89/43/1287388943.db2.gz MFJXDAQRGAIAJY-UHFFFAOYSA-N 0 0 341.245 2.690 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846024191 1279985210 /nfs/dbraw/zinc/98/52/10/1279985210.db2.gz UGJBKQJDTJUCQP-CYBMUJFWSA-N 0 0 346.355 2.713 10 5 EFBERN Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000846025547 1279986739 /nfs/dbraw/zinc/98/67/39/1279986739.db2.gz IJILPVWQQYMDIR-UHFFFAOYSA-N 0 0 336.779 2.871 10 5 EFBERN CCOC(=O)[C@@H](C)COC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000747171188 1280005558 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10 5 EFBERN Cc1c(CC(=O)N[C@@H](C)[C@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000846399316 1280142960 /nfs/dbraw/zinc/14/29/60/1280142960.db2.gz AFXCWCHGZYARJH-LIRRHRJNSA-N 0 0 342.395 2.858 10 5 EFBERN C[C@]1(CCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000846402333 1280144965 /nfs/dbraw/zinc/14/49/65/1280144965.db2.gz DIXGXHLOAFEBCT-KBPBESRZSA-N 0 0 329.759 2.828 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000846402914 1280146339 /nfs/dbraw/zinc/14/63/39/1280146339.db2.gz DEBFZJGPTSPMLD-KZULUSFZSA-N 0 0 346.358 2.689 10 5 EFBERN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000846402911 1280146571 /nfs/dbraw/zinc/14/65/71/1280146571.db2.gz DEBFZJGPTSPMLD-KPZWWZAWSA-N 0 0 346.358 2.689 10 5 EFBERN Cc1sc(C(=O)N[C@@H](C)[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846416897 1280159903 /nfs/dbraw/zinc/15/99/03/1280159903.db2.gz QHYHIJXDUZDKMG-MEDUHNTESA-N 0 0 334.397 2.991 10 5 EFBERN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC000846419761 1280160808 /nfs/dbraw/zinc/16/08/08/1280160808.db2.gz KFVJGLIDZWOZLQ-IFXJQAMLSA-N 0 0 342.395 2.940 10 5 EFBERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000804382546 1280179276 /nfs/dbraw/zinc/17/92/76/1280179276.db2.gz GPNYVYPXTPBUNR-ZFVWRWTRSA-N 0 0 342.395 2.880 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccnc(-n2ccnc2)c1 ZINC000804388511 1280181521 /nfs/dbraw/zinc/18/15/21/1280181521.db2.gz XCXXAVOTQOBLCO-UHFFFAOYSA-N 0 0 340.299 2.696 10 5 EFBERN C/C(=C/C(=O)N1CCC([C@@H](C)CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000846469855 1280185008 /nfs/dbraw/zinc/18/50/08/1280185008.db2.gz CXDSOHRGHZDQHC-FZDNWWAKSA-N 0 0 332.400 2.865 10 5 EFBERN C[C@H](NCCNC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030540 1287405699 /nfs/dbraw/zinc/40/56/99/1287405699.db2.gz HMYXMVBPCMGMCF-JTQLQIEISA-N 0 0 327.356 2.909 10 5 EFBERN C[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000846516380 1280220002 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EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846579933 1280260030 /nfs/dbraw/zinc/26/00/30/1280260030.db2.gz RSTQHOAVAFAQNH-CQSZACIVSA-N 0 0 326.299 2.865 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846573253 1280270685 /nfs/dbraw/zinc/27/06/85/1280270685.db2.gz VYMPYXQOYWDPGJ-CYBMUJFWSA-N 0 0 341.270 2.764 10 5 EFBERN COc1ccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846574555 1280272778 /nfs/dbraw/zinc/27/27/78/1280272778.db2.gz YDHQPYUJSYTVNZ-CQSZACIVSA-N 0 0 326.299 2.865 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000846576115 1280274007 /nfs/dbraw/zinc/27/40/07/1280274007.db2.gz TWJZZLSVMWYDIB-CYBMUJFWSA-N 0 0 328.319 2.532 10 5 EFBERN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045826 1287410334 /nfs/dbraw/zinc/41/03/34/1287410334.db2.gz RQQNTHLMISYHPU-SCZZXKLOSA-N 0 0 349.284 2.548 10 5 EFBERN C[C@H](NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)C1CCCC1 ZINC001129658665 1280293615 /nfs/dbraw/zinc/29/36/15/1280293615.db2.gz PDDHPDAQXDOEQK-LBPRGKRZSA-N 0 0 343.387 2.543 10 5 EFBERN CC[C@H]1CN(c2ccc(C)c(Br)c2[N+](=O)[O-])C[C@@H]1O ZINC000804579660 1280301406 /nfs/dbraw/zinc/30/14/06/1280301406.db2.gz XVQFQXFUBRUKEC-ONGXEEELSA-N 0 0 329.194 2.873 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846583307 1280302598 /nfs/dbraw/zinc/30/25/98/1280302598.db2.gz OIMHUKFWOKCYIT-CYBMUJFWSA-N 0 0 329.278 2.578 10 5 EFBERN COc1cccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000846585187 1280306780 /nfs/dbraw/zinc/30/67/80/1280306780.db2.gz YZXSDGFYRSAIRE-CQSZACIVSA-N 0 0 326.299 2.865 10 5 EFBERN Cc1cc(Br)c2c(c1)CCCN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001129682960 1280307986 /nfs/dbraw/zinc/30/79/86/1280307986.db2.gz AHIVLVKTVNXUEP-ZYHUDNBSSA-N 0 0 339.189 2.702 10 5 EFBERN Cc1c(C(=O)NCC2(C(F)(F)F)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804602731 1280308444 /nfs/dbraw/zinc/30/84/44/1280308444.db2.gz LNIVCGHUZDYLHV-UHFFFAOYSA-N 0 0 347.249 2.884 10 5 EFBERN CN(C)c1cc(F)c(C(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000804604695 1280309176 /nfs/dbraw/zinc/30/91/76/1280309176.db2.gz BBJMNXZMILQSBA-UHFFFAOYSA-N 0 0 349.284 2.872 10 5 EFBERN Cc1cc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])ccc1OCCO ZINC000804607879 1280310745 /nfs/dbraw/zinc/31/07/45/1280310745.db2.gz BYGIYRDRKNUSGA-UHFFFAOYSA-N 0 0 333.300 2.926 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H](Cc2ccncc2)C1 ZINC000804609214 1280310827 /nfs/dbraw/zinc/31/08/27/1280310827.db2.gz SDBIMRTXQASRCU-ZDUSSCGKSA-N 0 0 328.328 2.967 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC001129758418 1280334770 /nfs/dbraw/zinc/33/47/70/1280334770.db2.gz CQXWPOQUJNCVAY-UHFFFAOYSA-N 0 0 346.318 2.669 10 5 EFBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccn(C)n1 ZINC001129743414 1280337464 /nfs/dbraw/zinc/33/74/64/1280337464.db2.gz DYODKFAIHJTEOD-QMMMGPOBSA-N 0 0 342.277 2.838 10 5 EFBERN CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccn1C ZINC001129843446 1280353261 /nfs/dbraw/zinc/35/32/61/1280353261.db2.gz BPWAVSKYXBHZFX-UHFFFAOYSA-N 0 0 349.318 2.810 10 5 EFBERN C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000747208385 1280353515 /nfs/dbraw/zinc/35/35/15/1280353515.db2.gz YNSYLZVPKHNERM-NSHDSACASA-N 0 0 341.375 2.734 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)c2ccccc2OC)c1 ZINC000747209985 1280354535 /nfs/dbraw/zinc/35/45/35/1280354535.db2.gz PXFPKGJEXMQORT-CQSZACIVSA-N 0 0 336.319 2.897 10 5 EFBERN COc1ccc(C(=O)N[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC001129852837 1280355025 /nfs/dbraw/zinc/35/50/25/1280355025.db2.gz ANBCXRRPKJCSNE-AWEZNQCLSA-N 0 0 328.324 2.605 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCCN2C(=O)Cc3ccccc32)c1 ZINC000747215433 1280383113 /nfs/dbraw/zinc/38/31/13/1280383113.db2.gz WZLWFOMORXNUOR-UHFFFAOYSA-N 0 0 345.330 2.744 10 5 EFBERN COCc1ccccc1CS(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000804932539 1280412174 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EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc2ccccc2nn1 ZINC001130172630 1280552007 /nfs/dbraw/zinc/55/20/07/1280552007.db2.gz CYDMZWGCUADRRK-UHFFFAOYSA-N 0 0 337.339 2.979 10 5 EFBERN COc1ccc(CC(=O)Nc2cc3ccccc3nn2)cc1[N+](=O)[O-] ZINC001130172810 1280552584 /nfs/dbraw/zinc/55/25/84/1280552584.db2.gz OGMWHTAWIYPNSP-UHFFFAOYSA-N 0 0 338.323 2.728 10 5 EFBERN Cn1ccnc1[C@H](NC[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000872107522 1287430470 /nfs/dbraw/zinc/43/04/70/1287430470.db2.gz ZDHPSKSSSUFLMN-HZPDHXFCSA-N 0 0 344.415 2.822 10 5 EFBERN CCOC(=O)[C@H](C)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747250226 1280609321 /nfs/dbraw/zinc/60/93/21/1280609321.db2.gz WXDJIKTYHKILHZ-MRVPVSSYSA-N 0 0 349.261 2.970 10 5 EFBERN COc1cnc(F)c(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC000846935625 1280626002 /nfs/dbraw/zinc/62/60/02/1280626002.db2.gz CSLGNJICFMGTPC-UHFFFAOYSA-N 0 0 331.303 2.649 10 5 EFBERN COc1cnc(F)c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000846909583 1280633305 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ZINC001133420584 1285387024 /nfs/dbraw/zinc/38/70/24/1285387024.db2.gz GYXBCPISGQGZJT-GFCCVEGCSA-N 0 0 340.339 2.924 10 5 EFBERN C[C@@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001133421039 1285387110 /nfs/dbraw/zinc/38/71/10/1285387110.db2.gz ZJFKVDALYDRPLO-BXUZGUMPSA-N 0 0 349.387 2.781 10 5 EFBERN C[C@H](CN(C)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C(C)(C)C ZINC001133468296 1285458174 /nfs/dbraw/zinc/45/81/74/1285458174.db2.gz WSTBCRNGROARFI-GFCCVEGCSA-N 0 0 345.403 2.930 10 5 EFBERN COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1OC ZINC001133487989 1285479374 /nfs/dbraw/zinc/47/93/74/1285479374.db2.gz XMJKCFVOZQXMBW-UHFFFAOYSA-N 0 0 332.312 2.873 10 5 EFBERN C[C@@H](COC(=O)CCCOc1ccccc1Br)[N+](=O)[O-] ZINC000813105013 1285654189 /nfs/dbraw/zinc/65/41/89/1285654189.db2.gz JCZFKBHGBFNEAR-JTQLQIEISA-N 0 0 346.177 2.817 10 5 EFBERN C[C@@H](COC(=O)COc1ccccc1OCc1ccccc1)[N+](=O)[O-] ZINC000813102293 1285654444 /nfs/dbraw/zinc/65/44/44/1285654444.db2.gz 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CCO[C@@H](CC)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173899 1285703863 /nfs/dbraw/zinc/70/38/63/1285703863.db2.gz LTYFQZQKKGCTPN-HOTGVXAUSA-N 0 0 336.388 2.527 10 5 EFBERN CCOC(=O)C1(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000813148399 1285706595 /nfs/dbraw/zinc/70/65/95/1285706595.db2.gz GGUBIFFWKUIJJP-GFCCVEGCSA-N 0 0 335.356 2.975 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001133686042 1285780596 /nfs/dbraw/zinc/78/05/96/1285780596.db2.gz OXTQFGHFTVIVEU-UHFFFAOYSA-N 0 0 341.367 2.848 10 5 EFBERN COC(=O)/C=C\c1ccc(NCc2cccc(F)n2)c([N+](=O)[O-])c1 ZINC000747848553 1285786720 /nfs/dbraw/zinc/78/67/20/1285786720.db2.gz VRYRPRLHCWZESE-VURMDHGXSA-N 0 0 331.303 2.927 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC)c1OC ZINC001133710567 1285792109 /nfs/dbraw/zinc/79/21/09/1285792109.db2.gz DAKCZLAMCPNWCP-UHFFFAOYSA-N 0 0 332.312 2.873 10 5 EFBERN C[C@H](NC(=O)Cc1csc2nccn12)c1ccc([N+](=O)[O-])cc1 ZINC001133706914 1285811373 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EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](O)c1ccc(F)cc1 ZINC000813585505 1286000687 /nfs/dbraw/zinc/00/06/87/1286000687.db2.gz OHPLXUPGNMCKGK-MRXNPFEDSA-N 0 0 327.315 2.850 10 5 EFBERN COc1cccc([C@@H](O)CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000813593579 1286006149 /nfs/dbraw/zinc/00/61/49/1286006149.db2.gz SBLUVZRDTJFMNR-KRWDZBQOSA-N 0 0 339.351 2.719 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@]1(O)CCc2ccccc21 ZINC000813599077 1286009049 /nfs/dbraw/zinc/00/90/49/1286009049.db2.gz MCUGONQFQGICNN-IBGZPJMESA-N 0 0 335.363 2.811 10 5 EFBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000813601332 1286016900 /nfs/dbraw/zinc/01/69/00/1286016900.db2.gz QJTCNJWKSHJFNI-UHFFFAOYSA-N 0 0 333.171 2.746 10 5 EFBERN C[C@@H](CCCCNC(=O)OC(C)(C)C)Nc1ccncc1[N+](=O)[O-] ZINC000813610171 1286022048 /nfs/dbraw/zinc/02/20/48/1286022048.db2.gz JCPMPUKTGVSPDI-LBPRGKRZSA-N 0 0 338.408 2.907 10 5 EFBERN COC(=O)/C=C\c1ccc(NCc2snnc2C)c([N+](=O)[O-])c1 ZINC000813631125 1286049297 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EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000822639432 1289060650 /nfs/dbraw/zinc/06/06/50/1289060650.db2.gz PCVOMANZCWVCPB-UHFFFAOYSA-N 0 0 344.371 2.613 10 5 EFBERN COCCSCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000814008991 1286258200 /nfs/dbraw/zinc/25/82/00/1286258200.db2.gz VBGCASDMFZWLOZ-QXMHVHEDSA-N 0 0 325.386 2.921 10 5 EFBERN COc1ccc(C(=O)CCC(=O)O[C@@H](C)C[N+](=O)[O-])c(Cl)c1 ZINC000814039335 1286271923 /nfs/dbraw/zinc/27/19/23/1286271923.db2.gz NWLNRIRRKWJAAO-VIFPVBQESA-N 0 0 329.736 2.520 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000814040598 1286272205 /nfs/dbraw/zinc/27/22/05/1286272205.db2.gz HXAMVQRHVSIYHZ-DVVUODLYSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000814045264 1286275872 /nfs/dbraw/zinc/27/58/72/1286275872.db2.gz OCUYDMHWZZJISH-DTWKUNHWSA-N 0 0 348.168 2.975 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC001134048384 1286276255 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CCc1nc(C)c(COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)o1 ZINC000814071607 1286288960 /nfs/dbraw/zinc/28/89/60/1286288960.db2.gz LPTKSSODCVCHBP-UHFFFAOYSA-N 0 0 334.284 2.539 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001134088759 1286326380 /nfs/dbraw/zinc/32/63/80/1286326380.db2.gz ALAXUAKYKGQERD-UHFFFAOYSA-N 0 0 339.760 2.922 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1c(F)cccc1F ZINC001134137361 1286387614 /nfs/dbraw/zinc/38/76/14/1286387614.db2.gz KGTQVLYRLCMACX-QMMMGPOBSA-N 0 0 349.293 2.714 10 5 EFBERN NC(=O)c1cc(NC(=O)C(C2CCC2)C2CCC2)ccc1[N+](=O)[O-] ZINC001134136863 1286387664 /nfs/dbraw/zinc/38/76/64/1286387664.db2.gz ARUIMOMGZKJQFM-UHFFFAOYSA-N 0 0 331.372 2.849 10 5 EFBERN COC(=O)/C=C\c1ccc(NCc2cnccc2OC)c([N+](=O)[O-])c1 ZINC000814259884 1286447028 /nfs/dbraw/zinc/44/70/28/1286447028.db2.gz GYBLXAVBTPIERI-XQRVVYSFSA-N 0 0 343.339 2.797 10 5 EFBERN CNc1nccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1[N+](=O)[O-] ZINC001136613764 1289078366 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COc1ccc2ccc(C(=O)OCCn3ccc([N+](=O)[O-])n3)cc2c1 ZINC000814498197 1286706876 /nfs/dbraw/zinc/70/68/76/1286706876.db2.gz SSTPATYGKSEHRL-UHFFFAOYSA-N 0 0 341.323 2.810 10 5 EFBERN CN(Cc1nc2ccccc2n1C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001136628156 1289101982 /nfs/dbraw/zinc/10/19/82/1289101982.db2.gz QNQYJYMZXHURLC-UHFFFAOYSA-N 0 0 342.330 2.893 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCS1 ZINC001134493312 1286810505 /nfs/dbraw/zinc/81/05/05/1286810505.db2.gz YJJRJUJQSGOKCR-SCZZXKLOSA-N 0 0 325.346 2.517 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001136631618 1289109502 /nfs/dbraw/zinc/10/95/02/1289109502.db2.gz YDGOKAPEEKJKQG-AWEZNQCLSA-N 0 0 340.383 2.667 10 5 EFBERN C[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]2C[C@H]2C1 ZINC000814727358 1286947435 /nfs/dbraw/zinc/94/74/35/1286947435.db2.gz NCRUWDZZIPVJQJ-UOIKSKOESA-N 0 0 329.400 2.680 10 5 EFBERN COc1c(F)nccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001134624356 1286982382 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348.790 2.977 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1cccc(F)c1F ZINC001136764934 1289415961 /nfs/dbraw/zinc/41/59/61/1289415961.db2.gz WLCKTTIZCAZVQV-UHFFFAOYSA-N 0 0 338.285 2.914 10 5 EFBERN Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3F)cn21 ZINC001136774467 1289439048 /nfs/dbraw/zinc/43/90/48/1289439048.db2.gz AHKJWEBFBFEKOY-UHFFFAOYSA-N 0 0 328.303 2.620 10 5 EFBERN Nc1ccc(NC(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000823915094 1289482494 /nfs/dbraw/zinc/48/24/94/1289482494.db2.gz TXOYPINDTMNDLQ-UHFFFAOYSA-N 0 0 331.332 2.577 10 5 EFBERN Nc1ccc(NC(=O)N2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000823933020 1289495264 /nfs/dbraw/zinc/49/52/64/1289495264.db2.gz JATBNNBOONNKJR-ZDUSSCGKSA-N 0 0 334.376 2.600 10 5 EFBERN Nc1ccc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000823974343 1289503397 /nfs/dbraw/zinc/50/33/97/1289503397.db2.gz QHFAAKLLPAZQOQ-ABAIWWIYSA-N 0 0 336.392 2.630 10 5 EFBERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840157 1289578502 /nfs/dbraw/zinc/57/85/02/1289578502.db2.gz FTPGGYDAKQNUKS-DSPGLSBSSA-N 0 0 336.413 2.840 10 5 EFBERN CC[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001136854775 1289605719 /nfs/dbraw/zinc/60/57/19/1289605719.db2.gz KCQKQDSIIJNOGP-MNOVXSKESA-N 0 0 326.418 2.844 10 5 EFBERN Cc1cc(NC(=O)C[C@@H](C)NC(=O)C2CCCC2)cc([N+](=O)[O-])c1 ZINC001181021386 1289679645 /nfs/dbraw/zinc/67/96/45/1289679645.db2.gz CDXYSHYJGXREOB-GFCCVEGCSA-N 0 0 333.388 2.927 10 5 EFBERN Nc1ccc(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001181033304 1289698059 /nfs/dbraw/zinc/69/80/59/1289698059.db2.gz VPHYGRHQQRYQFH-CABCVRRESA-N 0 0 325.368 2.786 10 5 EFBERN CCCc1n[nH]c(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001181032997 1289698765 /nfs/dbraw/zinc/69/87/65/1289698765.db2.gz SIRMIRBVAIUZSH-KGLIPLIRSA-N 0 0 342.399 2.879 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cc2ccccc2oc1=O ZINC001166110787 1312732197 /nfs/dbraw/zinc/73/21/97/1312732197.db2.gz IATFDWZWQHSILW-UHFFFAOYSA-N 0 0 338.275 2.657 10 5 EFBERN CS(=O)(=O)c1ccc(COc2cc(F)c([N+](=O)[O-])cc2Cl)o1 ZINC001166149512 1312737419 /nfs/dbraw/zinc/73/74/19/1312737419.db2.gz FUTFNIYDOGEAHW-UHFFFAOYSA-N 0 0 349.723 2.963 10 5 EFBERN CO[C@H](Cn1cnc2sc([N+](=O)[O-])cc2c1=O)c1ccc(F)cc1 ZINC001166154661 1312738653 /nfs/dbraw/zinc/73/86/53/1312738653.db2.gz CIAZAVDCRNXAJV-GFCCVEGCSA-N 0 0 349.343 2.893 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C)C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000124572699 1289932008 /nfs/dbraw/zinc/93/20/08/1289932008.db2.gz CPIWRUFMPXNDCY-BXUZGUMPSA-N 0 0 348.355 2.829 10 5 EFBERN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1CC12CC2 ZINC000873629820 1289978209 /nfs/dbraw/zinc/97/82/09/1289978209.db2.gz WACYBCCMESXLCM-DOMZBBRYSA-N 0 0 346.383 2.777 10 5 EFBERN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1CC12CC2 ZINC000873629821 1289978971 /nfs/dbraw/zinc/97/89/71/1289978971.db2.gz WACYBCCMESXLCM-IUODEOHRSA-N 0 0 346.383 2.777 10 5 EFBERN COC(=O)CCCCC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F 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RFEQKXDZBHNIER-DTWKUNHWSA-N 0 0 346.261 2.751 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)C1 ZINC000875674596 1290606527 /nfs/dbraw/zinc/60/65/27/1290606527.db2.gz KSLKHYXBLPZSDY-WDEREUQCSA-N 0 0 338.335 2.960 10 5 EFBERN COc1cccc(C(=O)OCC(=O)[C@H]2Cc3ccccc32)c1[N+](=O)[O-] ZINC000795630433 1290677673 /nfs/dbraw/zinc/67/76/73/1290677673.db2.gz QYIQTEXXXBGIQO-AWEZNQCLSA-N 0 0 341.319 2.669 10 5 EFBERN COC(=O)Cc1ccc(N(C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001185838268 1290768410 /nfs/dbraw/zinc/76/84/10/1290768410.db2.gz FPKZNFPSDDLOFM-UHFFFAOYSA-N 0 0 330.340 2.652 10 5 EFBERN CC(C)(C)c1nnc(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)n1N ZINC000825841274 1290772958 /nfs/dbraw/zinc/77/29/58/1290772958.db2.gz JOBJPAVMBYAUFH-UHFFFAOYSA-N 0 0 348.432 2.623 10 5 EFBERN NC(=O)c1cc(NCCCNc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC001185914988 1290791172 /nfs/dbraw/zinc/79/11/72/1290791172.db2.gz RWWDUAFRNCQVPN-UHFFFAOYSA-N 0 0 332.335 2.747 10 5 EFBERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000956938678 1290904775 /nfs/dbraw/zinc/90/47/75/1290904775.db2.gz QMUOLBVPKSEJHR-IRXDYDNUSA-N 0 0 337.379 2.987 10 5 EFBERN C[C@H](NC(=O)Cn1ccnc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001166682032 1312818793 /nfs/dbraw/zinc/81/87/93/1312818793.db2.gz HDDCMRZCDDBNQS-QMMMGPOBSA-N 0 0 343.170 2.976 10 5 EFBERN CCOc1cc(NCc2nc(-c3ccccn3)n[nH]2)ccc1[N+](=O)[O-] ZINC001186440796 1290954136 /nfs/dbraw/zinc/95/41/36/1290954136.db2.gz FWVNGWJBAZWJNV-UHFFFAOYSA-N 0 0 340.343 2.786 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3ncccc3C)c2c1 ZINC001186517852 1290970731 /nfs/dbraw/zinc/97/07/31/1290970731.db2.gz LMICXVDIRPZRCK-UHFFFAOYSA-N 0 0 338.367 2.932 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2cccnc2-n2cnc3ccccc32)n1 ZINC001186528699 1290973447 /nfs/dbraw/zinc/97/34/47/1290973447.db2.gz UIRCKBNUWKLEQZ-UHFFFAOYSA-N 0 0 349.354 2.674 10 5 EFBERN CC(C)N1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1=O ZINC001186620195 1290986179 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Cc1cc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC001164549688 1312537842 /nfs/dbraw/zinc/53/78/42/1312537842.db2.gz ZZZNOGKCZDULRK-BDJLRTHQSA-N 0 0 332.331 2.894 10 5 EFBERN O=C(COc1ccc(O)cc1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803353922 1312542138 /nfs/dbraw/zinc/54/21/38/1312542138.db2.gz APHGXVAFYOLOCT-UHFFFAOYSA-N 0 0 339.250 2.701 10 5 EFBERN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCc2n[nH]cc21 ZINC000803390753 1312578668 /nfs/dbraw/zinc/57/86/68/1312578668.db2.gz JKPJKUHLATWUPB-SECBINFHSA-N 0 0 337.282 2.759 10 5 EFBERN CC(C)n1cc(OC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cn1 ZINC001277585049 1312585511 /nfs/dbraw/zinc/58/55/11/1312585511.db2.gz BDRHUHZLDOQLLF-UHFFFAOYSA-N 0 0 341.327 2.777 10 5 EFBERN Nc1ccc(CCC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000803405806 1312592817 /nfs/dbraw/zinc/59/28/17/1312592817.db2.gz IQISHPFWHICSBZ-UHFFFAOYSA-N 0 0 337.282 2.526 10 5 EFBERN C[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000803408012 1312593889 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CCCC1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001318876260 1328730387 /nfs/dbraw/zinc/73/03/87/1328730387.db2.gz HHTBQGXFVBNSRM-UHFFFAOYSA-N 0 0 347.415 2.753 10 5 EFBERN COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1[N+](=O)[O-] ZINC001319074895 1328775789 /nfs/dbraw/zinc/77/57/89/1328775789.db2.gz GMRCUQREDRYSRK-UHFFFAOYSA-N 0 0 342.138 2.979 10 5 EFBERN CCc1cccc(C(=O)OC)c1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001319154237 1328792108 /nfs/dbraw/zinc/79/21/08/1328792108.db2.gz ZSQLKYCEUOFRJJ-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN O=C(NCc1ccnc(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001287405858 1321465293 /nfs/dbraw/zinc/46/52/93/1321465293.db2.gz OSRKMGZCVAIIAY-UHFFFAOYSA-N 0 0 341.245 2.660 10 5 EFBERN CN(CC(=O)NCc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001287414789 1321465395 /nfs/dbraw/zinc/46/53/95/1321465395.db2.gz RQSMHZFFNSEBLZ-UHFFFAOYSA-N 0 0 335.310 2.626 10 5 EFBERN Cc1ncc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC001287646955 1321509237 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COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C\c1ccc(Cl)nc1 ZINC001288215699 1321619584 /nfs/dbraw/zinc/61/95/84/1321619584.db2.gz FNZYWOIAEVYVMP-HYXAFXHYSA-N 0 0 334.719 2.699 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC001288215698 1321619624 /nfs/dbraw/zinc/61/96/24/1321619624.db2.gz FNZYWOIAEVYVMP-HWKANZROSA-N 0 0 334.719 2.699 10 5 EFBERN CCOC(=O)c1cc(C(=O)Nc2ccc(CC)cn2)cc([N+](=O)[O-])c1 ZINC001288245912 1321626725 /nfs/dbraw/zinc/62/67/25/1321626725.db2.gz MULWTHCKFXUCLZ-UHFFFAOYSA-N 0 0 343.339 2.981 10 5 EFBERN O=C(NCCc1ccns1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001288336839 1321644275 /nfs/dbraw/zinc/64/42/75/1321644275.db2.gz UIGAFAPGVYKUKZ-UHFFFAOYSA-N 0 0 343.311 2.625 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)c1cccc(Cl)c1[N+](=O)[O-] ZINC001288719511 1321744986 /nfs/dbraw/zinc/74/49/86/1321744986.db2.gz NEYNQJKEASOLSA-UHFFFAOYSA-N 0 0 331.715 2.995 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001288781020 1321759214 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JTNPLWJTZGXVGD-BXUZGUMPSA-N 0 0 348.355 2.512 10 5 EFBERN C[S@](=O)(=NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001289020503 1321798305 /nfs/dbraw/zinc/79/83/05/1321798305.db2.gz AAHXYZBGELFTHZ-HSZRJFAPSA-N 0 0 336.344 2.960 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N=[S@]1(=O)CCc2ccccc21 ZINC001289030220 1321798695 /nfs/dbraw/zinc/79/86/95/1321798695.db2.gz VPKKCMXYCMCLJF-QHCPKHFHSA-N 0 0 330.365 2.747 10 5 EFBERN CC(=O)c1ccc(OC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1Cl ZINC001289133316 1321800646 /nfs/dbraw/zinc/80/06/46/1321800646.db2.gz QCYVDBMZPMOCIW-UHFFFAOYSA-N 0 0 337.719 2.561 10 5 EFBERN CCCc1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)s1 ZINC001289255305 1321809851 /nfs/dbraw/zinc/80/98/51/1321809851.db2.gz KBJZHINVUWQIDN-UHFFFAOYSA-N 0 0 348.384 2.663 10 5 EFBERN CCOC(=O)c1cn(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC001289281746 1321811240 /nfs/dbraw/zinc/81/12/40/1321811240.db2.gz YXUHHOSOUHNHMO-UHFFFAOYSA-N 0 0 331.328 2.671 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 ZINC001289317580 1321812534 /nfs/dbraw/zinc/81/25/34/1321812534.db2.gz BQPFFBWOUWXGMH-UHFFFAOYSA-N 0 0 349.387 2.690 10 5 EFBERN Cc1ncncc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001289527863 1321820137 /nfs/dbraw/zinc/82/01/37/1321820137.db2.gz VUSMHWQLEDNVOA-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN CC(C)[C@H]1CCc2nc(NC(=O)Cn3cc([N+](=O)[O-])cn3)sc2C1 ZINC001289562691 1321820759 /nfs/dbraw/zinc/82/07/59/1321820759.db2.gz ZWXBFKDXQYOECX-JTQLQIEISA-N 0 0 349.416 2.647 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnc(C(F)F)c(C)c1 ZINC001289603727 1321821828 /nfs/dbraw/zinc/82/18/28/1321821828.db2.gz HWYKKLFFGWHOJU-UHFFFAOYSA-N 0 0 339.302 2.770 10 5 EFBERN CCc1nccc(C)c1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC001289679063 1321823018 /nfs/dbraw/zinc/82/30/18/1321823018.db2.gz MOXWVUUTTXFPTO-UHFFFAOYSA-N 0 0 345.355 2.887 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC001289689281 1321823175 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2.890 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCCC2=O ZINC001289904877 1321836353 /nfs/dbraw/zinc/83/63/53/1321836353.db2.gz VJHRAMGCLSYBER-UHFFFAOYSA-N 0 0 347.352 2.588 10 5 EFBERN COC(=O)c1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cnc1C ZINC001289946529 1321842348 /nfs/dbraw/zinc/84/23/48/1321842348.db2.gz QXWYCLALKQUILO-UHFFFAOYSA-N 0 0 343.339 2.954 10 5 EFBERN Cc1cnc2c(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cnn2c1 ZINC001290034249 1321866515 /nfs/dbraw/zinc/86/65/15/1321866515.db2.gz BMJBSVZBKPDKQL-UHFFFAOYSA-N 0 0 325.328 2.815 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2n[nH]c(=S)n2c1 ZINC001290034522 1321867009 /nfs/dbraw/zinc/86/70/09/1321867009.db2.gz GTTWFIRNEBCVQA-UHFFFAOYSA-N 0 0 343.368 2.795 10 5 EFBERN CN(Cc1cccnc1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001290137248 1321880229 /nfs/dbraw/zinc/88/02/29/1321880229.db2.gz DLIHCANSRKHYOX-UHFFFAOYSA-N 0 0 337.339 2.652 10 5 EFBERN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001290334783 1321899129 /nfs/dbraw/zinc/89/91/29/1321899129.db2.gz OPYSTFYGARPAPN-QWHCGFSZSA-N 0 0 338.323 2.919 10 5 EFBERN O=C(Nc1ccc2[nH]ccc2c1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001290611090 1321936225 /nfs/dbraw/zinc/93/62/25/1321936225.db2.gz JDKLXRSILLDKCU-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc2n[nH]cc2c1 ZINC001290650842 1321939427 /nfs/dbraw/zinc/93/94/27/1321939427.db2.gz COASQMKRBHMGRO-UHFFFAOYSA-N 0 0 345.746 2.792 10 5 EFBERN O=C(Nc1ccc(N2CCCC2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001290655369 1321940599 /nfs/dbraw/zinc/94/05/99/1321940599.db2.gz UDQPULWVUYSVIB-UHFFFAOYSA-N 0 0 335.751 2.824 10 5 EFBERN COc1cccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1OC ZINC001290735908 1321946989 /nfs/dbraw/zinc/94/69/89/1321946989.db2.gz SPEDANKKQPNEHY-UHFFFAOYSA-N 0 0 348.330 2.610 10 5 EFBERN O=C(Cc1ccc(O)c(Cl)c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001290823476 1321964453 /nfs/dbraw/zinc/96/44/53/1321964453.db2.gz OLHMAFNGVDGBKJ-UHFFFAOYSA-N 0 0 349.774 2.725 10 5 EFBERN CC(C)(C)c1nnc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)s1 ZINC001290824731 1321964647 /nfs/dbraw/zinc/96/46/47/1321964647.db2.gz XNIHENCGJGBGGS-UHFFFAOYSA-N 0 0 349.416 2.586 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1noc(-c2ccc(F)cc2)n1 ZINC001291594867 1321987397 /nfs/dbraw/zinc/98/73/97/1321987397.db2.gz FLJIAVVVPRAYDS-UHFFFAOYSA-N 0 0 342.286 2.714 10 5 EFBERN CC(=O)c1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)nc1C ZINC001307084497 1321997972 /nfs/dbraw/zinc/99/79/72/1321997972.db2.gz YZMSQWUEVUNWIJ-UHFFFAOYSA-N 0 0 333.319 2.744 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccc([N+](=O)[O-])cc1 ZINC001291853456 1322019155 /nfs/dbraw/zinc/01/91/55/1322019155.db2.gz PIFWVTXUOFNOPL-UHFFFAOYSA-N 0 0 333.275 2.501 10 5 EFBERN COc1ccc(CNC(=O)C(C)(C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001291857474 1322019839 /nfs/dbraw/zinc/01/98/39/1322019839.db2.gz IQRASDZVKBCWRJ-UHFFFAOYSA-N 0 0 344.367 2.903 10 5 EFBERN COc1ccc(CNC(=O)c2ccc(Cl)nc2F)cc1[N+](=O)[O-] ZINC001291857114 1322020071 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ZINC001297138498 1323099556 /nfs/dbraw/zinc/09/95/56/1323099556.db2.gz AAGPOMOUXSSIEP-UHFFFAOYSA-N 0 0 349.709 2.991 10 5 EFBERN C=CC(=O)Nc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001297272052 1323144839 /nfs/dbraw/zinc/14/48/39/1323144839.db2.gz CPHFORZONNDINK-UHFFFAOYSA-N 0 0 339.351 2.692 10 5 EFBERN CC(C)OC(=O)COC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001320100617 1329078308 /nfs/dbraw/zinc/07/83/08/1329078308.db2.gz NDERKOLTRJHCDB-UHFFFAOYSA-N 0 0 335.234 2.722 10 5 EFBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1Cc2ccncc2C1 ZINC001297571554 1323279863 /nfs/dbraw/zinc/27/98/63/1323279863.db2.gz WAJAPPUOQTWKHN-UHFFFAOYSA-N 0 0 335.266 2.747 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc(F)c1N ZINC001297645023 1323307745 /nfs/dbraw/zinc/30/77/45/1323307745.db2.gz CGORPXORAMTKKJ-UHFFFAOYSA-N 0 0 335.310 2.770 10 5 EFBERN Cc1ccc2nc(CNC(=O)Cc3ccc(F)cc3[N+](=O)[O-])cn2c1 ZINC001297681550 1323316977 /nfs/dbraw/zinc/31/69/77/1323316977.db2.gz QUPAOUGEUBHPOR-UHFFFAOYSA-N 0 0 342.330 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O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001298141235 1323451864 /nfs/dbraw/zinc/45/18/64/1323451864.db2.gz GFDZPNHASPJQSE-HZPDHXFCSA-N 0 0 349.406 2.735 10 5 EFBERN O=C(c1ccc(O)cn1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001298141300 1323451912 /nfs/dbraw/zinc/45/19/12/1323451912.db2.gz HPACDYHBGFCMGF-CYBMUJFWSA-N 0 0 327.340 2.715 10 5 EFBERN Cc1ccncc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001298279228 1323482262 /nfs/dbraw/zinc/48/22/62/1323482262.db2.gz HBUMWTPSAWVJCK-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@H](CO)c3ccccc32)c1F ZINC001298308213 1323487801 /nfs/dbraw/zinc/48/78/01/1323487801.db2.gz MSJVCQNHODDWJW-SNVBAGLBSA-N 0 0 348.305 2.918 10 5 EFBERN CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001298640796 1323580459 /nfs/dbraw/zinc/58/04/59/1323580459.db2.gz RECNBINWSYHZMM-ZDUSSCGKSA-N 0 0 335.404 2.541 10 5 EFBERN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)ccc1O ZINC001298696434 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2.796 10 5 EFBERN Nc1c(C(=O)NCCOCC2CCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001299849987 1323709835 /nfs/dbraw/zinc/70/98/35/1323709835.db2.gz UENTWOAAOSUFHZ-UHFFFAOYSA-N 0 0 345.758 2.516 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2nsnc2c1 ZINC001299858818 1323709850 /nfs/dbraw/zinc/70/98/50/1323709850.db2.gz NMLWUHBEBKPYBT-UHFFFAOYSA-N 0 0 329.341 2.894 10 5 EFBERN C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(O)c1 ZINC001299932966 1323712682 /nfs/dbraw/zinc/71/26/82/1323712682.db2.gz CUIICHJYVZNKFS-SECBINFHSA-N 0 0 336.294 2.999 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1nc(Cl)ccc1F ZINC001299933936 1323713205 /nfs/dbraw/zinc/71/32/05/1323713205.db2.gz YOPHVSLQTXIGSI-UHFFFAOYSA-N 0 0 345.664 2.991 10 5 EFBERN C[C@H](C(=O)Nc1c[nH]nc1Br)c1cccc([N+](=O)[O-])c1 ZINC001299955167 1323713799 /nfs/dbraw/zinc/71/37/99/1323713799.db2.gz BBDFBPODJGHYFE-ZETCQYMHSA-N 0 0 339.149 2.823 10 5 EFBERN CC(C)[C@H]1C[C@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001320490737 1329144505 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EFBERN COc1ccc(OC)c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001350199523 1333047721 /nfs/dbraw/zinc/04/77/21/1333047721.db2.gz MPOSGCLABCDKDX-UHFFFAOYSA-N 0 0 334.303 2.932 10 5 EFBERN CCOC(=O)CN(CC(C)C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001350328724 1333065138 /nfs/dbraw/zinc/06/51/38/1333065138.db2.gz WMKDQZTYXGDYOY-HOTGVXAUSA-N 0 0 348.399 2.746 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccncc1N1CCCC1 ZINC001350385376 1333072516 /nfs/dbraw/zinc/07/25/16/1333072516.db2.gz AZJUBWNSMBBJAM-UHFFFAOYSA-N 0 0 330.319 2.981 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001350390101 1333073553 /nfs/dbraw/zinc/07/35/53/1333073553.db2.gz YMYZUNWGSCGPDG-UGSOOPFHSA-N 0 0 337.335 2.752 10 5 EFBERN COC(=O)c1coc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001350389866 1333073629 /nfs/dbraw/zinc/07/36/29/1333073629.db2.gz WFNBXBIZSPFONN-WAYWQWQTSA-N 0 0 330.296 2.935 10 5 EFBERN CC(C)C[C@@]1(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCNC1=O ZINC001350395915 1333075343 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Cc1cc(F)cc(C(=O)N2CCC(Cc3c[nH]cn3)CC2)c1[N+](=O)[O-] ZINC001350826022 1333138734 /nfs/dbraw/zinc/13/87/34/1333138734.db2.gz BRNKYXUGFXJYAO-UHFFFAOYSA-N 0 0 346.362 2.860 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@]12CCOC2 ZINC001350915752 1333151269 /nfs/dbraw/zinc/15/12/69/1333151269.db2.gz MVCGSSJVNYMMGW-SFHVURJKSA-N 0 0 345.399 2.954 10 5 EFBERN CSc1cccc(C(=O)N2CC[C@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC001351069934 1333175673 /nfs/dbraw/zinc/17/56/73/1333175673.db2.gz INRDTMMDIOGPIX-AAEUAGOBSA-N 0 0 336.413 2.958 10 5 EFBERN CN(C(=O)c1ccnc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001351175541 1333189944 /nfs/dbraw/zinc/18/99/44/1333189944.db2.gz CPJABBIBPCOWPK-UHFFFAOYSA-N 0 0 335.323 2.723 10 5 EFBERN CC(=O)Nc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001351198151 1333194133 /nfs/dbraw/zinc/19/41/33/1333194133.db2.gz PNFRBHRQDMWHSR-UHFFFAOYSA-N 0 0 345.330 2.931 10 5 EFBERN COC(=O)c1oc(C(=O)Oc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC001351285541 1333206798 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Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000847113504 1333328736 /nfs/dbraw/zinc/32/87/36/1333328736.db2.gz FAXKDUIDDAURQT-UHFFFAOYSA-N 0 0 331.275 2.975 10 5 EFBERN O=C(NCc1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001351946026 1333329546 /nfs/dbraw/zinc/32/95/46/1333329546.db2.gz PKCBQMCSCGFVMX-UHFFFAOYSA-N 0 0 336.351 2.770 10 5 EFBERN CC(C)n1cc(OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000847128919 1333341601 /nfs/dbraw/zinc/34/16/01/1333341601.db2.gz GKIGQUVCARWEHM-UHFFFAOYSA-N 0 0 348.315 2.819 10 5 EFBERN CCOC(=O)N(C)CCCC(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001352040411 1333363461 /nfs/dbraw/zinc/36/34/61/1333363461.db2.gz PEIGMSBSOVZLQP-UHFFFAOYSA-N 0 0 338.360 2.986 10 5 EFBERN Cc1cc(F)cc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000847155562 1333363631 /nfs/dbraw/zinc/36/36/31/1333363631.db2.gz LTBZOSYTLYNZLT-JSGCOSHPSA-N 0 0 329.331 2.971 10 5 EFBERN COC[C@@H](CC(C)(C)C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000847200171 1333405731 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COC(=O)c1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC001352634307 1333645038 /nfs/dbraw/zinc/64/50/38/1333645038.db2.gz HNYLCIVATNJBMI-QPJJXVBHSA-N 0 0 334.259 2.765 10 5 EFBERN C/C(=C/c1ccco1)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001352657475 1333655554 /nfs/dbraw/zinc/65/55/54/1333655554.db2.gz IEAVOHJKKZDROQ-FLIBITNWSA-N 0 0 330.296 2.773 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001352662604 1333658029 /nfs/dbraw/zinc/65/80/29/1333658029.db2.gz ZUDHTQJTYKEPCY-MRXNPFEDSA-N 0 0 340.339 2.738 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001300085602 1333669108 /nfs/dbraw/zinc/66/91/08/1333669108.db2.gz CRLGNKJAGAMECR-DZUCGIPZSA-N 0 0 332.400 2.847 10 5 EFBERN COc1cccc([C@H](OC)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001352703561 1333673988 /nfs/dbraw/zinc/67/39/88/1333673988.db2.gz MEIVAGGSOMXYRG-INIZCTEOSA-N 0 0 346.339 2.938 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001300101796 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332.400 2.911 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1ccccc1 ZINC001354785944 1334514208 /nfs/dbraw/zinc/51/42/08/1334514208.db2.gz WDUGCHOSQGLOGE-UHFFFAOYSA-N 0 0 345.380 2.685 10 5 EFBERN Cn1c2ccccc2sc1=NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001354805874 1334531267 /nfs/dbraw/zinc/53/12/67/1334531267.db2.gz BRPJVHXAWURVGJ-UHFFFAOYSA-N 0 0 327.365 2.818 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC2(CC2(F)F)C1 ZINC000848259295 1334531838 /nfs/dbraw/zinc/53/18/38/1334531838.db2.gz IYWFDJAGGWEERY-UHFFFAOYSA-N 0 0 334.681 2.797 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H](O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001472901503 1334615922 /nfs/dbraw/zinc/61/59/22/1334615922.db2.gz OMTIKPUWRVJJBQ-HNNXBMFYSA-N 0 0 341.371 2.639 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001472903197 1334620877 /nfs/dbraw/zinc/62/08/77/1334620877.db2.gz UQQMMHADWPRHNL-XYPYZODXSA-N 0 0 339.396 2.587 10 5 EFBERN COC(=O)/C=C\c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC001355005472 1334646749 /nfs/dbraw/zinc/64/67/49/1334646749.db2.gz WXFHZDQXGSAGMG-DAXSKMNVSA-N 0 0 334.259 2.765 10 5 EFBERN O=C(C[C@@H](n1cccn1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC001355014627 1334654804 /nfs/dbraw/zinc/65/48/04/1334654804.db2.gz CDVFKCNDLTVWSV-LLVKDONJSA-N 0 0 328.250 2.924 10 5 EFBERN O=C(Nn1cccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001300791323 1334678262 /nfs/dbraw/zinc/67/82/62/1334678262.db2.gz KOLJGOUPYYHGBU-UHFFFAOYSA-N 0 0 338.323 2.754 10 5 EFBERN COc1ccc(NC(=O)c2cn3cc(C)ccc3n2)c([N+](=O)[O-])c1 ZINC001355055408 1334681377 /nfs/dbraw/zinc/68/13/77/1334681377.db2.gz IPJQKRZSVJYKEL-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1COc2ccccc2O1 ZINC001355055723 1334682168 /nfs/dbraw/zinc/68/21/68/1334682168.db2.gz KWYYWLTUFXCYMN-LBPRGKRZSA-N 0 0 344.323 2.772 10 5 EFBERN COc1ccc(NC(=O)c2cc(C(F)(F)F)ncn2)c([N+](=O)[O-])c1 ZINC001355056142 1334682308 /nfs/dbraw/zinc/68/23/08/1334682308.db2.gz RTOPWAVGBBMWPT-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN CC(=O)O[C@@H]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000848372748 1334699535 /nfs/dbraw/zinc/69/95/35/1334699535.db2.gz DXMQJZPCPJNLSX-YBHKSSGVSA-N 0 0 332.356 2.552 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cnn(C(C)C)c2)c1C ZINC000848463216 1334728530 /nfs/dbraw/zinc/72/85/30/1334728530.db2.gz DHYVEKNLSFLMIP-UHFFFAOYSA-N 0 0 339.373 2.757 10 5 EFBERN Cc1cc(S(=O)(=O)Oc2cnn(C(C)C)c2)c(C)cc1[N+](=O)[O-] ZINC000848463049 1334729043 /nfs/dbraw/zinc/72/90/43/1334729043.db2.gz PKXOVIOPCMHFPO-UHFFFAOYSA-N 0 0 339.373 2.757 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cnn(C(C)C)c1 ZINC000848463460 1334729522 /nfs/dbraw/zinc/72/95/22/1334729522.db2.gz IQLXAJHTZDWFKL-UHFFFAOYSA-N 0 0 339.373 2.702 10 5 EFBERN CC(C)N(CC(F)F)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483203 1334739239 /nfs/dbraw/zinc/73/92/39/1334739239.db2.gz ZNOSUNCTIKPHER-CQSZACIVSA-N 0 0 341.358 2.844 10 5 EFBERN CCN(CCSC)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489031 1334745675 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COC(=O)[C@@]1(C(F)(F)F)CCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000848702280 1334849380 /nfs/dbraw/zinc/84/93/80/1334849380.db2.gz BCGYJBGMFZXZAF-CYBMUJFWSA-N 0 0 348.277 2.535 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)C[C@@]1(O)CCc2ccccc21 ZINC000848733509 1334865825 /nfs/dbraw/zinc/86/58/25/1334865825.db2.gz QOAYKXOEXIWZKQ-SFHVURJKSA-N 0 0 328.368 2.874 10 5 EFBERN CCN1C[C@H](COC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)OC1=O ZINC000848738277 1334868667 /nfs/dbraw/zinc/86/86/67/1334868667.db2.gz WEYFEPSAAQUZDF-GFCCVEGCSA-N 0 0 336.344 2.518 10 5 EFBERN CCN1C[C@@H](COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)OC1=O ZINC000848745355 1334871933 /nfs/dbraw/zinc/87/19/33/1334871933.db2.gz VFBUKWBYAQIEDU-LBPRGKRZSA-N 0 0 336.344 2.716 10 5 EFBERN CCc1nocc1COC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000848758507 1334878235 /nfs/dbraw/zinc/87/82/35/1334878235.db2.gz ICYMXZXSDVZPKY-UHFFFAOYSA-N 0 0 326.255 2.709 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2c(=O)sc3ccccc32)c1 ZINC001472989844 1334899994 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Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc2[nH]cnc2c1 ZINC001449973300 1392466302 /nfs/dbraw/zinc/46/63/02/1392466302.db2.gz BAVSVZXXDSSCSL-UHFFFAOYSA-N 0 0 328.303 2.849 10 5 EFBERN Cn1c(Cl)cnc1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001450235881 1392533346 /nfs/dbraw/zinc/53/33/46/1392533346.db2.gz KKSRRMIERZAIKA-UHFFFAOYSA-N 0 0 347.133 2.704 10 5 EFBERN Cn1cnc2ccc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])nc21 ZINC001450338701 1392576763 /nfs/dbraw/zinc/57/67/63/1392576763.db2.gz YGXSTEGXZJLOJZ-UHFFFAOYSA-N 0 0 339.355 2.542 10 5 EFBERN O=C(NC[C@@H]1CCCCC(F)(F)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001450418097 1392601910 /nfs/dbraw/zinc/60/19/10/1392601910.db2.gz VLVISRWHGKCEKH-SSDOTTSWSA-N 0 0 336.726 2.917 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH]c(=O)[nH]c21 ZINC001450638947 1392674042 /nfs/dbraw/zinc/67/40/42/1392674042.db2.gz SKPSTDRQNSCUSK-UHFFFAOYSA-N 0 0 344.352 2.908 10 5 EFBERN Cc1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)[nH]c(=O)c1 ZINC001452045061 1392879190 /nfs/dbraw/zinc/87/91/90/1392879190.db2.gz PQEWOIJFLDTEBW-UHFFFAOYSA-N 0 0 340.698 2.631 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cc2oc(=O)[nH]c2cc1F ZINC001453123635 1392918685 /nfs/dbraw/zinc/91/86/85/1392918685.db2.gz CXWKFFSAKFJEIJ-UHFFFAOYSA-N 0 0 349.249 2.901 10 5 EFBERN NC(=O)c1cc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC001454330744 1392976875 /nfs/dbraw/zinc/97/68/75/1392976875.db2.gz YWROODGALHYPEY-UHFFFAOYSA-N 0 0 339.760 2.590 10 5 EFBERN O=C(NCc1cc(C(F)(F)F)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001455057134 1394539059 /nfs/dbraw/zinc/53/90/59/1394539059.db2.gz KGTRQEDZGIJUAH-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN Nc1ccc(C(=O)Nc2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC001455084811 1394549791 /nfs/dbraw/zinc/54/97/91/1394549791.db2.gz HXFZUGFNLYBSMS-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN COC(=O)c1c(C)sc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001455097362 1394552046 /nfs/dbraw/zinc/55/20/46/1394552046.db2.gz IAMGBXJKFXSLSM-UHFFFAOYSA-N 0 0 349.368 2.894 10 5 EFBERN CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001455117377 1394558872 /nfs/dbraw/zinc/55/88/72/1394558872.db2.gz BMZUKVVZLITAAN-MRXNPFEDSA-N 0 0 342.351 2.751 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@]23CCCO3)cc1[N+](=O)[O-] ZINC001455202235 1394579168 /nfs/dbraw/zinc/57/91/68/1394579168.db2.gz HAQXIHCTANBKIU-DOMZBBRYSA-N 0 0 339.779 2.662 10 5 EFBERN CCSc1ccccc1CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC001455533591 1394604071 /nfs/dbraw/zinc/60/40/71/1394604071.db2.gz AAEAFYXHYPHQCY-UHFFFAOYSA-N 0 0 334.401 2.711 10 5 EFBERN O=CNc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001456334643 1394669664 /nfs/dbraw/zinc/66/96/64/1394669664.db2.gz QXVYVGLUUYFWIY-HOTGVXAUSA-N 0 0 325.324 2.905 10 5 EFBERN COCc1csc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001456415823 1394687078 /nfs/dbraw/zinc/68/70/78/1394687078.db2.gz UZYZJMXEGKDUSK-UHFFFAOYSA-N 0 0 325.321 2.518 10 5 EFBERN CS(C)(=O)=Nc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC001456460914 1394696947 /nfs/dbraw/zinc/69/69/47/1394696947.db2.gz IQBYBMIAFHQDBR-UHFFFAOYSA-N 0 0 347.396 2.884 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001456540430 1394710499 /nfs/dbraw/zinc/71/04/99/1394710499.db2.gz BZDLQWLCJBHZHQ-UHFFFAOYSA-N 0 0 348.746 2.611 10 5 EFBERN CO[C@H](CC(C)C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001456632105 1394736100 /nfs/dbraw/zinc/73/61/00/1394736100.db2.gz XSGPRCIYVYUGBE-MRXNPFEDSA-N 0 0 337.420 2.883 10 5 EFBERN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C)c(N)c1[N+](=O)[O-] ZINC001456745657 1394788762 /nfs/dbraw/zinc/78/87/62/1394788762.db2.gz SUHCDUPNGWQYIQ-INIZCTEOSA-N 0 0 328.372 2.727 10 5 EFBERN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C=O)cc2)c(N)c1[N+](=O)[O-] ZINC001456751364 1394790917 /nfs/dbraw/zinc/79/09/17/1394790917.db2.gz QQEWOHFUDCHHPQ-NSHDSACASA-N 0 0 343.339 2.704 10 5 EFBERN CCC[C@H]1CCCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001456802160 1394816075 /nfs/dbraw/zinc/81/60/75/1394816075.db2.gz LLFHIVCSOMKZNP-ZDUSSCGKSA-N 0 0 329.360 2.580 10 5 EFBERN COc1cccc(O[C@@H](C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001456879406 1394849549 /nfs/dbraw/zinc/84/95/49/1394849549.db2.gz DKHGWYJVLUHRNR-NSHDSACASA-N 0 0 348.330 2.940 10 5 EFBERN CN(C[C@@H](O)c1cccnc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001456950841 1394885938 /nfs/dbraw/zinc/88/59/38/1394885938.db2.gz VVNBGGLBAKQVFV-CQSZACIVSA-N 0 0 341.323 2.542 10 5 EFBERN COC(=O)c1c(C)cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])nc1C ZINC001457017046 1394924075 /nfs/dbraw/zinc/92/40/75/1394924075.db2.gz HPTWJEMNTAWWGQ-UHFFFAOYSA-N 0 0 347.302 2.785 10 5 EFBERN Cc1nc(NC(=O)c2nscc2Br)ccc1[N+](=O)[O-] ZINC001457288235 1395055553 /nfs/dbraw/zinc/05/55/53/1395055553.db2.gz IJNMCMBHMGQAOB-UHFFFAOYSA-N 0 0 343.162 2.770 10 5 EFBERN COc1cccc(COC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC001457402314 1395099815 /nfs/dbraw/zinc/09/98/15/1395099815.db2.gz BXHOLSPLPVWSAL-UHFFFAOYSA-N 0 0 336.275 2.503 10 5 EFBERN O=C(c1ncc2c(F)cccn21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001457581335 1395229479 /nfs/dbraw/zinc/22/94/79/1395229479.db2.gz ZQCIUENNGIIZPI-UHFFFAOYSA-N 0 0 340.314 2.580 10 5 EFBERN C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001457814986 1395344074 /nfs/dbraw/zinc/34/40/74/1395344074.db2.gz MOTJVLOIJXTCGU-NEPJUHHUSA-N 0 0 343.383 2.875 10 5 EFBERN CC[C@@H](CNc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001457821856 1395347161 /nfs/dbraw/zinc/34/71/61/1395347161.db2.gz HYKBZUDNINUBKG-LBPRGKRZSA-N 0 0 346.362 2.937 10 5 EFBERN C/C(=C/C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1cnccn1 ZINC001457911001 1395385259 /nfs/dbraw/zinc/38/52/59/1395385259.db2.gz QGILUJZUKHXKAK-POHAHGRESA-N 0 0 332.747 2.758 10 5 EFBERN COC(=O)c1cccc(Oc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC001458050487 1395400456 /nfs/dbraw/zinc/40/04/56/1395400456.db2.gz SXVOJXGXSZIZGB-UHFFFAOYSA-N 0 0 345.233 2.926 10 5 EFBERN COc1cc(F)cc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001458055426 1395401370 /nfs/dbraw/zinc/40/13/70/1395401370.db2.gz MEYKEJCOTCXDQX-UHFFFAOYSA-N 0 0 336.294 2.741 10 5 EFBERN CCN1C[C@H](CN(C)c2ncc([N+](=O)[O-])cc2F)Oc2ccccc21 ZINC001458083490 1395404354 /nfs/dbraw/zinc/40/43/54/1395404354.db2.gz JNBWMIKXXHVCIZ-ZDUSSCGKSA-N 0 0 346.362 2.853 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(C2CC2)n1 ZINC001458083998 1395404404 /nfs/dbraw/zinc/40/44/04/1395404404.db2.gz AGCWHZMUDOSZJK-UHFFFAOYSA-N 0 0 345.384 2.634 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC(=O)N(C(C)C)C2)cc1C ZINC001458153991 1395415393 /nfs/dbraw/zinc/41/53/93/1395415393.db2.gz JEYGDAOOCFHKIZ-GFCCVEGCSA-N 0 0 349.387 2.501 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC001458167887 1395418537 /nfs/dbraw/zinc/41/85/37/1395418537.db2.gz VHRAKLLEXLEQNW-UHFFFAOYSA-N 0 0 348.725 2.601 10 5 EFBERN COc1cc(COCC(=O)OCc2ccc([N+](=O)[O-])c(C)c2)ccn1 ZINC001458260180 1395433487 /nfs/dbraw/zinc/43/34/87/1395433487.db2.gz WGESTSGTYMHXRR-UHFFFAOYSA-N 0 0 346.339 2.567 10 5 EFBERN COc1ccc2c(c1)[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])CCC2 ZINC001458263092 1395433901 /nfs/dbraw/zinc/43/39/01/1395433901.db2.gz ODUTZJZHLUVZFR-AWEZNQCLSA-N 0 0 342.355 2.587 10 5 EFBERN Cc1nc(NCc2ccc(O)c(Br)c2)ncc1[N+](=O)[O-] ZINC001458266854 1395434334 /nfs/dbraw/zinc/43/43/34/1395434334.db2.gz ZNUJNUGDOCNRTC-UHFFFAOYSA-N 0 0 339.149 2.773 10 5 EFBERN CC[C@H](Nc1nc(N)nc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC001458284735 1395437740 /nfs/dbraw/zinc/43/77/40/1395437740.db2.gz FHVVZZNLIGMUEW-VIFPVBQESA-N 0 0 342.281 2.944 10 5 EFBERN COc1ccc2c(c1)[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])CCC2 ZINC001458286436 1395438814 /nfs/dbraw/zinc/43/88/14/1395438814.db2.gz ODUTZJZHLUVZFR-CQSZACIVSA-N 0 0 342.355 2.587 10 5 EFBERN COC(=O)c1coc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001458296313 1395441048 /nfs/dbraw/zinc/44/10/48/1395441048.db2.gz OXOHTBGJIBZDLA-GQCTYLIASA-N 0 0 330.296 2.935 10 5 EFBERN CN(Cc1ccc(N)nc1)c1cccc(Br)c1[N+](=O)[O-] ZINC001458307322 1395442581 /nfs/dbraw/zinc/44/25/81/1395442581.db2.gz SUULJFKCJLLQJT-UHFFFAOYSA-N 0 0 337.177 2.971 10 5 EFBERN NC(=O)c1cc(N2CC[C@@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC001458391373 1395458797 /nfs/dbraw/zinc/45/87/97/1395458797.db2.gz FNVFADUYGKIFIP-LLVKDONJSA-N 0 0 329.331 2.827 10 5 EFBERN CC(C)[C@]1(C)C[C@H]1Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC001458418408 1395463965 /nfs/dbraw/zinc/46/39/65/1395463965.db2.gz FYUIMJDLGAEIIF-CABCVRRESA-N 0 0 341.433 2.692 10 5 EFBERN CC(C)[C@]1(C)C[C@@H]1Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC001458418410 1395463975 /nfs/dbraw/zinc/46/39/75/1395463975.db2.gz FYUIMJDLGAEIIF-GJZGRUSLSA-N 0 0 341.433 2.692 10 5 EFBERN COc1cc(F)cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001458429649 1395465876 /nfs/dbraw/zinc/46/58/76/1395465876.db2.gz ZEEPSRRBPQIKBC-JTQLQIEISA-N 0 0 347.346 2.885 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3C[C@@H](O)C[C@@H]3c3ccccc3)c2c1 ZINC001458434840 1395466884 /nfs/dbraw/zinc/46/68/84/1395466884.db2.gz OASGJKYORLYQBF-WMLDXEAASA-N 0 0 336.351 2.850 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(NCC(F)(F)Br)c21 ZINC001458505795 1395484846 /nfs/dbraw/zinc/48/48/46/1395484846.db2.gz SYEBNLXRQHZCHX-UHFFFAOYSA-N 0 0 333.092 2.938 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@@H](CO)Cc2ccoc2)c2ccccc21 ZINC001458560642 1395498959 /nfs/dbraw/zinc/49/89/59/1395498959.db2.gz GNWKJVWWTUDHSZ-ZDUSSCGKSA-N 0 0 327.340 2.999 10 5 EFBERN Cn1cnnc1[C@@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001458573578 1395505494 /nfs/dbraw/zinc/50/54/94/1395505494.db2.gz SODYQIZCFKYCNS-SECBINFHSA-N 0 0 341.293 2.736 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2cc(C)n(C)n2)cc1C ZINC001458583406 1395510410 /nfs/dbraw/zinc/51/04/10/1395510410.db2.gz VUNXMKHDUYWNIZ-UHFFFAOYSA-N 0 0 346.387 2.776 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(NC[C@H](O)c2c(F)cccc2F)cc1F ZINC001458591704 1395514495 /nfs/dbraw/zinc/51/44/95/1395514495.db2.gz IKMLTRDIRBHZIP-AWEZNQCLSA-N 0 0 342.273 2.650 10 5 EFBERN CCOc1cc(NCc2cc(=O)[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001458596878 1395516416 /nfs/dbraw/zinc/51/64/16/1395516416.db2.gz CEKABYQSZNSEMB-UHFFFAOYSA-N 0 0 330.344 2.979 10 5 EFBERN O=c1[nH]ccc(NCCc2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC001458601706 1395518774 /nfs/dbraw/zinc/51/87/74/1395518774.db2.gz KGEDAQXKXCKGEH-UHFFFAOYSA-N 0 0 325.328 2.740 10 5 EFBERN O=C1CN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)CN1 ZINC001458618609 1395523443 /nfs/dbraw/zinc/52/34/43/1395523443.db2.gz BUSGOCKPSFODLH-OAHLLOKOSA-N 0 0 331.759 2.926 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ncc[nH]2)nc1-c1ccc(F)cc1 ZINC001458634577 1395530703 /nfs/dbraw/zinc/53/07/03/1395530703.db2.gz FEGFKKOMWOZBLU-GFCCVEGCSA-N 0 0 343.318 2.665 10 5 EFBERN CC(C)O[C@]1(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCOC1 ZINC001458637109 1395531525 /nfs/dbraw/zinc/53/15/25/1395531525.db2.gz XLIXITFRRKIHEM-KRWDZBQOSA-N 0 0 349.362 2.700 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3nc4c([nH]3)CCCC4)cc2N1 ZINC001458642629 1395535283 /nfs/dbraw/zinc/53/52/83/1395535283.db2.gz OPLPVJWALJFEIF-UHFFFAOYSA-N 0 0 341.371 2.694 10 5 EFBERN CC(C)(C)OC(=O)NC1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001458659147 1395543514 /nfs/dbraw/zinc/54/35/14/1395543514.db2.gz SJMRTFODCBNSMG-UHFFFAOYSA-N 0 0 347.375 2.940 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H]2CCOC23CCCC3)c1[N+](=O)[O-] ZINC001458682099 1395547860 /nfs/dbraw/zinc/54/78/60/1395547860.db2.gz NWDPWZQWRQDIIU-LBPRGKRZSA-N 0 0 335.360 2.598 10 5 EFBERN COc1ccc2c(c1)[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])CCO2 ZINC001458715345 1395560995 /nfs/dbraw/zinc/56/09/95/1395560995.db2.gz JURGMRZDZWDSAA-ZDUSSCGKSA-N 0 0 346.314 2.996 10 5 EFBERN Cc1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1[N+](=O)[O-] ZINC001458731908 1395566065 /nfs/dbraw/zinc/56/60/65/1395566065.db2.gz KMTAWSLFMKEDBI-UHFFFAOYSA-N 0 0 341.279 2.608 10 5 EFBERN CN(C)c1ncccc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001458811281 1395605195 /nfs/dbraw/zinc/60/51/95/1395605195.db2.gz NBNUGXRZEVGXQO-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN COc1ccc(-n2cnnc2SCc2cccnc2[N+](=O)[O-])cc1 ZINC001458886615 1395631620 /nfs/dbraw/zinc/63/16/20/1395631620.db2.gz LGRKRXMESCPXAQ-UHFFFAOYSA-N 0 0 343.368 2.871 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2cc(OC)ccc2C=O)c1 ZINC001458899929 1395636978 /nfs/dbraw/zinc/63/69/78/1395636978.db2.gz JWCGYAYORRGPBQ-UHFFFAOYSA-N 0 0 345.307 2.782 10 5 EFBERN Cc1cnc(OCC(=O)c2ccc([N+](=O)[O-])cc2F)c([N+](=O)[O-])c1 ZINC001458976351 1395662988 /nfs/dbraw/zinc/66/29/88/1395662988.db2.gz BYOANMBRDQFCGV-UHFFFAOYSA-N 0 0 335.247 2.607 10 5 EFBERN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ncccc1Cl ZINC001458999639 1395671482 /nfs/dbraw/zinc/67/14/82/1395671482.db2.gz RZZYDPAACRYYQW-UHFFFAOYSA-N 0 0 344.552 2.616 10 5 EFBERN O=c1c2cc(Cl)ncc2ncn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001459029620 1395684231 /nfs/dbraw/zinc/68/42/31/1395684231.db2.gz VEKUPOJLMPHMLA-UHFFFAOYSA-N 0 0 334.694 2.541 10 5 EFBERN COc1cccc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)c1C ZINC001459040210 1395685744 /nfs/dbraw/zinc/68/57/44/1395685744.db2.gz KCRGAABAOQQRHB-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1 ZINC001459142382 1395731658 /nfs/dbraw/zinc/73/16/58/1395731658.db2.gz XBLFHQPWKTVBEG-LBPRGKRZSA-N 0 0 348.380 2.537 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC001546301821 1406780763 /nfs/dbraw/zinc/78/07/63/1406780763.db2.gz XWMJTYKXJZPSTL-OAHLLOKOSA-N 0 0 345.330 2.960 10 5 EFBERN CCc1ccc(CC)c(C(=O)Cn2cc([N+](=O)[O-])cc(OC)c2=O)c1 ZINC001459213501 1395757610 /nfs/dbraw/zinc/75/76/10/1395757610.db2.gz ZUTYZQNYVBWJMO-UHFFFAOYSA-N 0 0 344.367 2.773 10 5 EFBERN CCCN(C(=O)c1cc(C(=O)OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001459489126 1395894348 /nfs/dbraw/zinc/89/43/48/1395894348.db2.gz UNGJSTGPTYAWQL-UHFFFAOYSA-N 0 0 343.339 2.833 10 5 EFBERN CCN(Cc1onc(C)c1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC001459627986 1395970925 /nfs/dbraw/zinc/97/09/25/1395970925.db2.gz QACLVSBJJNOZCU-HNNXBMFYSA-N 0 0 333.388 2.971 10 5 EFBERN CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC001459648976 1395974003 /nfs/dbraw/zinc/97/40/03/1395974003.db2.gz FHKZFOPBCOWVEL-DAXOMENPSA-N 0 0 348.399 2.889 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CNC(=O)c2ccccc21 ZINC001460021387 1395997467 /nfs/dbraw/zinc/99/74/67/1395997467.db2.gz SQWATXZDIINZDW-NSHDSACASA-N 0 0 345.742 2.714 10 5 EFBERN CNc1ccc(C(F)(F)F)cc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001460052614 1396001611 /nfs/dbraw/zinc/00/16/11/1396001611.db2.gz ZGYIMISIXNQOKE-UHFFFAOYSA-N 0 0 343.265 2.641 10 5 EFBERN CNC(=O)[C@@H]1Cc2ccccc2N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460170177 1396010023 /nfs/dbraw/zinc/01/00/23/1396010023.db2.gz FNZCDAVMMSEMFU-INIZCTEOSA-N 0 0 345.786 2.926 10 5 EFBERN CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460170181 1396010117 /nfs/dbraw/zinc/01/01/17/1396010117.db2.gz FNZCDAVMMSEMFU-MRXNPFEDSA-N 0 0 345.786 2.926 10 5 EFBERN Cc1ncsc1CCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001460203816 1396012941 /nfs/dbraw/zinc/01/29/41/1396012941.db2.gz PYYWZWFYDUHRTK-UHFFFAOYSA-N 0 0 347.444 2.510 10 5 EFBERN O=C(N1CCc2c1ccc([N+](=O)[O-])c2F)C(F)(F)c1nccs1 ZINC001460264770 1396017895 /nfs/dbraw/zinc/01/78/95/1396017895.db2.gz NTMODQCIJUIPFX-UHFFFAOYSA-N 0 0 343.286 2.872 10 5 EFBERN CO[C@](C)(CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001460283213 1396020071 /nfs/dbraw/zinc/02/00/71/1396020071.db2.gz ACBFJLZTZPQLSU-GOSISDBHSA-N 0 0 343.383 2.875 10 5 EFBERN O=C(Nc1ccnn1-c1ccccn1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001460310846 1396024128 /nfs/dbraw/zinc/02/41/28/1396024128.db2.gz IEGAEIHFNYEQKX-CABCVRRESA-N 0 0 349.350 2.918 10 5 EFBERN Cc1ncoc1COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001460348444 1396028542 /nfs/dbraw/zinc/02/85/42/1396028542.db2.gz JSIZJQOQRHKGBU-UHFFFAOYSA-N 0 0 346.274 2.573 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccn3ccnc3c2)cc1[N+](=O)[O-] ZINC001460685501 1396243448 /nfs/dbraw/zinc/24/34/48/1396243448.db2.gz BZDYVAKEVWIGME-UHFFFAOYSA-N 0 0 341.283 2.711 10 5 EFBERN CN(Cc1ncccn1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC001460698138 1396243909 /nfs/dbraw/zinc/24/39/09/1396243909.db2.gz PWBFZZIDELBGDU-UHFFFAOYSA-N 0 0 337.177 2.779 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001460693319 1396244491 /nfs/dbraw/zinc/24/44/91/1396244491.db2.gz QZMIMBSKWNQXOV-SFHVURJKSA-N 0 0 345.399 2.792 10 5 EFBERN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1c1ncccn1 ZINC001460716956 1396245321 /nfs/dbraw/zinc/24/53/21/1396245321.db2.gz MLQQTLZYFFCJDF-HNNXBMFYSA-N 0 0 328.372 2.991 10 5 EFBERN COc1cc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc(Cl)n1 ZINC001460758343 1396251569 /nfs/dbraw/zinc/25/15/69/1396251569.db2.gz OCOLXVFVHGYKRB-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN Cc1ccccc1[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001460778437 1396254509 /nfs/dbraw/zinc/25/45/09/1396254509.db2.gz NCNVWRFZOHFFCC-KRWDZBQOSA-N 0 0 345.355 2.977 10 5 EFBERN O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(Cl)c1[N+](=O)[O-] ZINC001460816275 1396259861 /nfs/dbraw/zinc/25/98/61/1396259861.db2.gz KXBLKLIXKCPFAQ-UHFFFAOYSA-N 0 0 348.746 2.875 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CCNC3=O)c1C ZINC001460883206 1396267180 /nfs/dbraw/zinc/26/71/80/1396267180.db2.gz ZMTHRRDTZBIHQG-UHFFFAOYSA-N 0 0 339.351 2.750 10 5 EFBERN Cn1cc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC001460948371 1396273339 /nfs/dbraw/zinc/27/33/39/1396273339.db2.gz VBRCCCAEAMSOPY-LBPRGKRZSA-N 0 0 335.795 2.756 10 5 EFBERN CCn1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC)c1=O ZINC001460962513 1396275123 /nfs/dbraw/zinc/27/51/23/1396275123.db2.gz MHTWJGFRGIMJGI-UHFFFAOYSA-N 0 0 333.369 2.751 10 5 EFBERN CN(CC(=O)N1CCSC[C@@H]1C1CCC1)c1ccccc1[N+](=O)[O-] ZINC001461033567 1396284369 /nfs/dbraw/zinc/28/43/69/1396284369.db2.gz NXBQGTIWBVFKMV-MRXNPFEDSA-N 0 0 349.456 2.775 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(N)=O)c1 ZINC001461134492 1396292245 /nfs/dbraw/zinc/29/22/45/1396292245.db2.gz OFGGOEWTCCQYIY-JTQLQIEISA-N 0 0 345.330 2.883 10 5 EFBERN C[C@H](C(=O)Nc1ccc2c(c1)nnn2C)c1ccc([N+](=O)[O-])cc1F ZINC001461137726 1396293111 /nfs/dbraw/zinc/29/31/11/1396293111.db2.gz QXXFKLWBLGVDRT-VIFPVBQESA-N 0 0 343.318 2.758 10 5 EFBERN Cn1nnc2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)ccc21 ZINC001461137770 1396293233 /nfs/dbraw/zinc/29/32/33/1396293233.db2.gz RXKCTAYKITUZFY-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN C[C@@H](C(=O)Nc1ccc2c(c1)nnn2C)c1cccc([N+](=O)[O-])c1 ZINC001461137711 1396293298 /nfs/dbraw/zinc/29/32/98/1396293298.db2.gz QNZKJYJXZBVGAZ-SNVBAGLBSA-N 0 0 325.328 2.619 10 5 EFBERN CCc1cccc(CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC001461279398 1396367870 /nfs/dbraw/zinc/36/78/70/1396367870.db2.gz WFWCLKYDYURQCV-UHFFFAOYSA-N 0 0 342.351 2.874 10 5 EFBERN CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC001461421079 1396378019 /nfs/dbraw/zinc/37/80/19/1396378019.db2.gz AQZXMWFVSLMAQU-UHFFFAOYSA-N 0 0 326.259 2.665 10 5 EFBERN CNC(=O)Oc1cccc(OC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001461434757 1396379665 /nfs/dbraw/zinc/37/96/65/1396379665.db2.gz BWHKXJQPSLKBBI-UHFFFAOYSA-N 0 0 344.323 2.851 10 5 EFBERN CCO[C@H](C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC001461450680 1396381160 /nfs/dbraw/zinc/38/11/60/1396381160.db2.gz DXUPDGUIDVUEKM-DOMZBBRYSA-N 0 0 345.355 2.523 10 5 EFBERN C[C@H](CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-])n1ccnc1 ZINC001461452029 1396381310 /nfs/dbraw/zinc/38/13/10/1396381310.db2.gz RVQGBRCUEGECNP-LLVKDONJSA-N 0 0 325.328 2.929 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ncncc2C1 ZINC001461451684 1396381475 /nfs/dbraw/zinc/38/14/75/1396381475.db2.gz GTZTYFOZJILAIJ-LBPRGKRZSA-N 0 0 349.350 2.677 10 5 EFBERN O=C(Cn1cc(C2CC2)cn1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001461453291 1396381853 /nfs/dbraw/zinc/38/18/53/1396381853.db2.gz OKLJAKDGUPULRZ-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN C/C(=C/c1ccccn1)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001461501165 1396384435 /nfs/dbraw/zinc/38/44/35/1396384435.db2.gz QKVOCMJZFCUAJI-POHAHGRESA-N 0 0 329.268 2.907 10 5 EFBERN CNc1nc(C)cc(C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)n1 ZINC001461496791 1396384552 /nfs/dbraw/zinc/38/45/52/1396384552.db2.gz IXCUDRMLGQMDGU-UHFFFAOYSA-N 0 0 341.371 2.718 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC001461503921 1396385176 /nfs/dbraw/zinc/38/51/76/1396385176.db2.gz RMDLPKUCBNUKMF-UHFFFAOYSA-N 0 0 342.355 2.923 10 5 EFBERN C[C@H](CC(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC001461504310 1396385389 /nfs/dbraw/zinc/38/53/89/1396385389.db2.gz ZTMVGGNNCVSAML-SNVBAGLBSA-N 0 0 331.284 2.997 10 5 EFBERN Cc1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c(N(C)C)nn1 ZINC001461541236 1396387638 /nfs/dbraw/zinc/38/76/38/1396387638.db2.gz GCWWLOPWAYNLKF-UHFFFAOYSA-N 0 0 329.360 2.628 10 5 EFBERN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C(=O)OC1(C)C ZINC001461704311 1396400552 /nfs/dbraw/zinc/40/05/52/1396400552.db2.gz HJBMVTZIMHZJCB-UHFFFAOYSA-N 0 0 341.323 2.733 10 5 EFBERN Cn1nnc2cc(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)ccc21 ZINC001461704272 1396400702 /nfs/dbraw/zinc/40/07/02/1396400702.db2.gz GXEBCECUWTXSDR-UHFFFAOYSA-N 0 0 348.322 2.677 10 5 EFBERN O=C(c1ccnc2ccnn21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001461707866 1396401102 /nfs/dbraw/zinc/40/11/02/1396401102.db2.gz YSUOJIWJHVVNPH-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN CCn1nncc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC001461751875 1396402477 /nfs/dbraw/zinc/40/24/77/1396402477.db2.gz YDJOAGFIHFKWGZ-UHFFFAOYSA-N 0 0 331.379 2.929 10 5 EFBERN Cc1cnc2c(NC(=O)Cn3cc([N+](=O)[O-])cn3)cccc2c1Cl ZINC001461870867 1396409102 /nfs/dbraw/zinc/40/91/02/1396409102.db2.gz VNEYEPPKUDUUQK-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC001462001169 1396415824 /nfs/dbraw/zinc/41/58/24/1396415824.db2.gz UKOCGOGQSVETKV-UHFFFAOYSA-N 0 0 336.351 2.925 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc2c1OCCCO2 ZINC001462376850 1396433765 /nfs/dbraw/zinc/43/37/65/1396433765.db2.gz ZBCFYBJGRUTCMV-UHFFFAOYSA-N 0 0 328.324 2.937 10 5 EFBERN O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC001462464892 1396436398 /nfs/dbraw/zinc/43/63/98/1396436398.db2.gz WTHNGWBDGBDUMZ-ZDUSSCGKSA-N 0 0 326.312 2.556 10 5 EFBERN Cc1cc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnc1C ZINC001462472314 1396437151 /nfs/dbraw/zinc/43/71/51/1396437151.db2.gz JXGXIQIVHWPZDE-MRXNPFEDSA-N 0 0 340.339 2.738 10 5 EFBERN Cc1c(C(=O)NCc2ccnc(-c3ccccn3)n2)cccc1[N+](=O)[O-] ZINC001462489565 1396438526 /nfs/dbraw/zinc/43/85/26/1396438526.db2.gz UNYAIWYINYGNCO-UHFFFAOYSA-N 0 0 349.350 2.685 10 5 EFBERN COC(=O)c1cc(C(=O)NCC2(CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC001462515690 1396440454 /nfs/dbraw/zinc/44/04/54/1396440454.db2.gz WHCHJFSNPXBTMU-UHFFFAOYSA-N 0 0 332.356 2.692 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001462690514 1396447552 /nfs/dbraw/zinc/44/75/52/1396447552.db2.gz DSDWTKISMHHHDS-DTWKUNHWSA-N 0 0 347.249 2.740 10 5 EFBERN C[C@H](NC(=O)c1cccc(C(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC001462749449 1396451337 /nfs/dbraw/zinc/45/13/37/1396451337.db2.gz YJCHKWYXXICZFL-LBPRGKRZSA-N 0 0 341.367 2.788 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC001462767066 1396452838 /nfs/dbraw/zinc/45/28/38/1396452838.db2.gz XJJINHCMMGUPIZ-MWLCHTKSSA-N 0 0 348.334 2.545 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC001462767061 1396453359 /nfs/dbraw/zinc/45/33/59/1396453359.db2.gz XJJINHCMMGUPIZ-GXSJLCMTSA-N 0 0 348.334 2.545 10 5 EFBERN COc1cc(C(=O)N=[S@](C)(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC001462868306 1396456215 /nfs/dbraw/zinc/45/62/15/1396456215.db2.gz GFYYYDBFAHHKKM-HSZRJFAPSA-N 0 0 344.389 2.649 10 5 EFBERN NC(=O)c1cc(NC(=O)CCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC001463022571 1396467209 /nfs/dbraw/zinc/46/72/09/1396467209.db2.gz CYNUDHNMTGWQLJ-UHFFFAOYSA-N 0 0 347.758 2.918 10 5 EFBERN NC(=O)c1cc(NC(=O)C2(c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001463027946 1396467328 /nfs/dbraw/zinc/46/73/28/1396467328.db2.gz QOMFOZVZNJPKCF-UHFFFAOYSA-N 0 0 343.314 2.503 10 5 EFBERN NC(=O)c1cc(NC(=O)Cc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC001463026744 1396467564 /nfs/dbraw/zinc/46/75/64/1396467564.db2.gz MSZDHIOXKWEXDM-UHFFFAOYSA-N 0 0 339.307 2.621 10 5 EFBERN CCOC(=O)c1cc(C(=O)NCC(C)(C)C2CC2)cc([N+](=O)[O-])c1 ZINC001463083465 1396471991 /nfs/dbraw/zinc/47/19/91/1396471991.db2.gz DDSGIXMOLXXEIS-UHFFFAOYSA-N 0 0 334.372 2.938 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccc3c(c2)CCO3)n1 ZINC001463116440 1396474419 /nfs/dbraw/zinc/47/44/19/1396474419.db2.gz YPXATVCRYISNFQ-LLVKDONJSA-N 0 0 327.340 2.724 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC001463147550 1396475504 /nfs/dbraw/zinc/47/55/04/1396475504.db2.gz YPOFSYJDVLGTCK-OAHLLOKOSA-N 0 0 337.332 2.500 10 5 EFBERN CC(C)Oc1cnccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001463295592 1396483856 /nfs/dbraw/zinc/48/38/56/1396483856.db2.gz GQPYERHJGNWTHT-UHFFFAOYSA-N 0 0 337.282 2.729 10 5 EFBERN C[S@@](=O)(=NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC001463369788 1396487613 /nfs/dbraw/zinc/48/76/13/1396487613.db2.gz MIJNKHLSBAPWFF-QHCPKHFHSA-N 0 0 336.344 2.960 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@@H](C)C1CC1 ZINC001463461997 1396494240 /nfs/dbraw/zinc/49/42/40/1396494240.db2.gz QNWGWAZQTFESNL-SECBINFHSA-N 0 0 327.358 2.552 10 5 EFBERN CC(C)c1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)no1 ZINC001463514639 1396497845 /nfs/dbraw/zinc/49/78/45/1396497845.db2.gz XIAVIKRCIPYDDH-UHFFFAOYSA-N 0 0 329.316 2.695 10 5 EFBERN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001463542573 1396500896 /nfs/dbraw/zinc/50/08/96/1396500896.db2.gz IXMANFMRDNAOBV-UHFFFAOYSA-N 0 0 349.734 2.572 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2n1 ZINC001463563829 1396503312 /nfs/dbraw/zinc/50/33/12/1396503312.db2.gz NZXSDKLNMZRXAA-UHFFFAOYSA-N 0 0 342.380 2.894 10 5 EFBERN COc1cc(OC)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C=O ZINC001463666958 1396511682 /nfs/dbraw/zinc/51/16/82/1396511682.db2.gz SKNZUEGNIWOLCW-UHFFFAOYSA-N 0 0 330.296 2.677 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001463684162 1396512373 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CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])[NH+]1CCC(C)CC1 ZINC001464133631 1396549546 /nfs/dbraw/zinc/54/95/46/1396549546.db2.gz CGCCRNBCPFORTL-MRXNPFEDSA-N 0 0 349.431 2.787 10 5 EFBERN COc1cc(CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC001464293851 1396564245 /nfs/dbraw/zinc/56/42/45/1396564245.db2.gz GPRSDLNQKIFIAQ-NSHDSACASA-N 0 0 330.340 2.729 10 5 EFBERN COc1ccc(CNC(=O)c2c(F)nccc2Cl)cc1[N+](=O)[O-] ZINC001464356856 1396568024 /nfs/dbraw/zinc/56/80/24/1396568024.db2.gz JUZVGCPOXRZGBC-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN Nc1ncc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC001464392093 1396571477 /nfs/dbraw/zinc/57/14/77/1396571477.db2.gz CMIRHNXTPNDBKR-UHFFFAOYSA-N 0 0 348.388 2.724 10 5 EFBERN C[C@H](COc1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001464436092 1396574594 /nfs/dbraw/zinc/57/45/94/1396574594.db2.gz HSAVEBJYDYWNTP-SNVBAGLBSA-N 0 0 333.319 2.513 10 5 EFBERN COc1cc(=O)[nH]cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001464469929 1396579547 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325.328 2.981 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C2 ZINC001469461605 1397033005 /nfs/dbraw/zinc/03/30/05/1397033005.db2.gz OTTYIVUOXARKNT-UHFFFAOYSA-N 0 0 347.758 2.995 10 5 EFBERN CC[C@H](NC(=O)N[C@@]1(C)CC(C)(C)OC1=O)c1cccc([N+](=O)[O-])c1 ZINC001469665057 1397047118 /nfs/dbraw/zinc/04/71/18/1397047118.db2.gz IXJQSCMVSQCLBO-GUYCJALGSA-N 0 0 349.387 2.829 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1c2ccccc2C[C@H]1CO ZINC001469984610 1397063512 /nfs/dbraw/zinc/06/35/12/1397063512.db2.gz VQSHNLIFVLQRQK-AWEZNQCLSA-N 0 0 332.743 2.812 10 5 EFBERN O=C(Nc1nccc2cc[nH]c21)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001470205668 1397080509 /nfs/dbraw/zinc/08/05/09/1397080509.db2.gz HYYHGQZKCHOJMY-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN Nc1ncc(C(=O)N[C@@H](C(F)F)C2CCCCC2)cc1[N+](=O)[O-] ZINC001470264036 1397083655 /nfs/dbraw/zinc/08/36/55/1397083655.db2.gz BRQWJFDHTPBJPW-LLVKDONJSA-N 0 0 328.319 2.516 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC12CC2 ZINC001470981391 1397131223 /nfs/dbraw/zinc/13/12/23/1397131223.db2.gz GJKZWYQMKVMSGL-ZDUSSCGKSA-N 0 0 332.404 2.886 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C(C)=Cc2ccco2)cc1[N+](=O)[O-] ZINC001471043321 1397136164 /nfs/dbraw/zinc/13/61/64/1397136164.db2.gz ZXZDMWSPXJDVJD-FLIBITNWSA-N 0 0 344.323 2.599 10 5 EFBERN C/C(=C/c1ccco1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001471122089 1397142322 /nfs/dbraw/zinc/14/23/22/1397142322.db2.gz BRBVECDSSFSJLT-GKUQOKNUSA-N 0 0 330.340 2.615 10 5 EFBERN Cc1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC001471121377 1397142838 /nfs/dbraw/zinc/14/28/38/1397142838.db2.gz FLLMPCCNDQVVFN-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN O=C(Nn1cnnc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001546184632 1397143187 /nfs/dbraw/zinc/14/31/87/1397143187.db2.gz PNVADPCXCORUHT-UHFFFAOYSA-N 0 0 341.352 2.721 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC001471237781 1397153152 /nfs/dbraw/zinc/15/31/52/1397153152.db2.gz NKEZSLQMJVBNBW-XRNSZHNASA-N 0 0 349.309 2.657 10 5 EFBERN CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001471321767 1397159841 /nfs/dbraw/zinc/15/98/41/1397159841.db2.gz OAMPESCUCGRYAE-OCCSQVGLSA-N 0 0 349.387 2.641 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001471346775 1397162948 /nfs/dbraw/zinc/16/29/48/1397162948.db2.gz FEMKCEFMSWNJKR-MQYQWHSLSA-N 0 0 332.404 2.598 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cc2cnccc2o1 ZINC001471382767 1397166118 /nfs/dbraw/zinc/16/61/18/1397166118.db2.gz KZMBZGRHNYPQLE-UHFFFAOYSA-N 0 0 329.287 2.734 10 5 EFBERN O=C(NCc1cc2cnccc2o1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001471381232 1397166241 /nfs/dbraw/zinc/16/62/41/1397166241.db2.gz UMTHLZKREPDCQL-UHFFFAOYSA-N 0 0 337.295 2.542 10 5 EFBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001471433209 1397170850 /nfs/dbraw/zinc/17/08/50/1397170850.db2.gz DOCZQMNZWFYLGS-SECBINFHSA-N 0 0 326.312 2.809 10 5 EFBERN C[C@H](CNC(=O)N[C@H](CO)CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001471466418 1397174155 /nfs/dbraw/zinc/17/41/55/1397174155.db2.gz VYWXWASKBUOAGZ-OLZOCXBDSA-N 0 0 337.420 2.795 10 5 EFBERN C[C@@H](CNC(=O)NC[C@@]1(O)CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001471463331 1397174654 /nfs/dbraw/zinc/17/46/54/1397174654.db2.gz BMHCKKBEMOQTLP-UGSOOPFHSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)Cc2cncnc21 ZINC001471466760 1397174713 /nfs/dbraw/zinc/17/47/13/1397174713.db2.gz AWTXTKBYLMDGNP-NSHDSACASA-N 0 0 344.396 2.623 10 5 EFBERN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC001471514778 1397181159 /nfs/dbraw/zinc/18/11/59/1397181159.db2.gz MJRLZSFBIRVSRR-ZDUSSCGKSA-N 0 0 346.387 2.637 10 5 EFBERN CCSc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC001471554923 1397183584 /nfs/dbraw/zinc/18/35/84/1397183584.db2.gz OIIUKEGZMLHNLJ-UHFFFAOYSA-N 0 0 332.385 2.614 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C)nc1Cl ZINC001471585572 1397186397 /nfs/dbraw/zinc/18/63/97/1397186397.db2.gz WILQSYARNCYJAE-UHFFFAOYSA-N 0 0 334.763 2.923 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC001471610986 1397188189 /nfs/dbraw/zinc/18/81/89/1397188189.db2.gz JFZSOSYUFLGPCA-JTQLQIEISA-N 0 0 345.359 2.721 10 5 EFBERN COc1c(C(=O)N2CCCC[C@H]2c2ncccn2)cccc1[N+](=O)[O-] ZINC001471668341 1397196824 /nfs/dbraw/zinc/19/68/24/1397196824.db2.gz QERKJQIGIVYLQS-AWEZNQCLSA-N 0 0 342.355 2.761 10 5 EFBERN COc1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1O ZINC001471694022 1397198363 /nfs/dbraw/zinc/19/83/63/1397198363.db2.gz NADRYGHPRPMVTE-WEVVVXLNSA-N 0 0 342.351 2.681 10 5 EFBERN COC(=O)c1c(C)c(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001471700604 1397199471 /nfs/dbraw/zinc/19/94/71/1397199471.db2.gz DDZZEHACARADII-UHFFFAOYSA-N 0 0 343.339 2.833 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC[C@@H](c3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC001471720246 1397201030 /nfs/dbraw/zinc/20/10/30/1397201030.db2.gz UQMNLAOUUULGJB-SNVBAGLBSA-N 0 0 349.416 2.665 10 5 EFBERN CC[C@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001471743985 1397202613 /nfs/dbraw/zinc/20/26/13/1397202613.db2.gz XQBFXMXSINMEAN-RDJZCZTQSA-N 0 0 344.367 2.845 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](c2ncon2)C1 ZINC001471814681 1397210414 /nfs/dbraw/zinc/21/04/14/1397210414.db2.gz AEKIWCRPSXYCKO-LBPRGKRZSA-N 0 0 330.344 2.533 10 5 EFBERN C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001471831666 1397212790 /nfs/dbraw/zinc/21/27/90/1397212790.db2.gz LEDHORKNRCOZMS-NSHDSACASA-N 0 0 337.339 2.871 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2OC[C@H]1F ZINC001471831140 1397213171 /nfs/dbraw/zinc/21/31/71/1397213171.db2.gz UCDLDKHKTHLGNL-SJKOYZFVSA-N 0 0 345.330 2.595 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc(C2CC2)nn1-c1ccccc1 ZINC001471841085 1397214617 /nfs/dbraw/zinc/21/46/17/1397214617.db2.gz DHOZHWVWHVWYNZ-UHFFFAOYSA-N 0 0 338.327 2.633 10 5 EFBERN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N)sc2n1 ZINC001471956462 1397225731 /nfs/dbraw/zinc/22/57/31/1397225731.db2.gz DGYXTRJFDPCDPV-UHFFFAOYSA-N 0 0 329.341 2.742 10 5 EFBERN CCc1ccc(C(=O)N2CCC[C@H](c3ncon3)C2)cc1[N+](=O)[O-] ZINC001471966884 1397227671 /nfs/dbraw/zinc/22/76/71/1397227671.db2.gz IGIXWFYCZRUZLW-ZDUSSCGKSA-N 0 0 330.344 2.560 10 5 EFBERN Cc1nc(C)c(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]1 ZINC001471980552 1397230649 /nfs/dbraw/zinc/23/06/49/1397230649.db2.gz VOEIIDGQUILOOH-UHFFFAOYSA-N 0 0 328.372 2.673 10 5 EFBERN CNc1ccc(C(=O)NCC(=O)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC001472046855 1397239128 /nfs/dbraw/zinc/23/91/28/1397239128.db2.gz NPPURHIJKZNLKO-UHFFFAOYSA-N 0 0 349.293 2.527 10 5 EFBERN COc1cc(C(=O)Nc2ccc3ncn(C)c3c2)ccc1[N+](=O)[O-] ZINC001472051063 1397239613 /nfs/dbraw/zinc/23/96/13/1397239613.db2.gz WDIBFHBSKUFHOR-UHFFFAOYSA-N 0 0 326.312 2.742 10 5 EFBERN CSc1ccc(C(=O)NCc2nc3c([nH]2)CCCC3)cc1[N+](=O)[O-] ZINC001472063841 1397242087 /nfs/dbraw/zinc/24/20/87/1397242087.db2.gz DBRAUKVBXILBMX-UHFFFAOYSA-N 0 0 346.412 2.849 10 5 EFBERN Cn1nc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001472087767 1397245324 /nfs/dbraw/zinc/24/53/24/1397245324.db2.gz GSMIGSIQGCELQQ-UHFFFAOYSA-N 0 0 332.213 2.739 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](C)C(OCC)OCC)cc1[N+](=O)[O-] ZINC001472450744 1397260440 /nfs/dbraw/zinc/26/04/40/1397260440.db2.gz NAXFVJKFXNCZPP-NSHDSACASA-N 0 0 340.376 2.511 10 5 EFBERN CN(C)C(=O)c1ccnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001472535617 1397261694 /nfs/dbraw/zinc/26/16/94/1397261694.db2.gz YFCLVLSMLZEMFC-UHFFFAOYSA-N 0 0 348.746 2.597 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCCOCC3CC3)c2c1 ZINC001472645171 1397265881 /nfs/dbraw/zinc/26/58/81/1397265881.db2.gz XSTUIYXCVKREFS-UHFFFAOYSA-N 0 0 346.343 2.702 10 5 EFBERN CN(C[C@H]1CCOC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001472711352 1397267084 /nfs/dbraw/zinc/26/70/84/1397267084.db2.gz XSVQAXAQZQXRIS-SNVBAGLBSA-N 0 0 332.316 2.524 10 5 EFBERN NC(=O)c1ccc(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001472717136 1397267210 /nfs/dbraw/zinc/26/72/10/1397267210.db2.gz WERBFUSTJTUKDQ-UHFFFAOYSA-N 0 0 329.234 2.918 10 5 EFBERN C[C@@](O)(CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001472711592 1397267544 /nfs/dbraw/zinc/26/75/44/1397267544.db2.gz PMOFGRHNFGFJEH-MRXNPFEDSA-N 0 0 331.303 2.617 10 5 EFBERN COc1cccc([C@H](C)Sc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC001472726005 1397268340 /nfs/dbraw/zinc/26/83/40/1397268340.db2.gz VEQDPNUYJGBNGV-VIFPVBQESA-N 0 0 333.369 2.951 10 5 EFBERN Cn1c(COc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])nc1 ZINC001472724836 1397268370 /nfs/dbraw/zinc/26/83/70/1397268370.db2.gz QABOROOULYKBMN-UHFFFAOYSA-N 0 0 343.368 2.849 10 5 EFBERN C[C@]1(CO)CCCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001472738381 1397268812 /nfs/dbraw/zinc/26/88/12/1397268812.db2.gz NVPCFKXOQQVPPF-INIZCTEOSA-N 0 0 346.343 2.650 10 5 EFBERN O=[N+]([O-])c1ccc(SC[C@@H](O)c2cc(Br)no2)nc1 ZINC001473009133 1397277104 /nfs/dbraw/zinc/27/71/04/1397277104.db2.gz UJPDPVBMEWYCIA-SSDOTTSWSA-N 0 0 346.162 2.566 10 5 EFBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1cccc2ncccc12 ZINC001473029749 1397278512 /nfs/dbraw/zinc/27/85/12/1397278512.db2.gz UTPMNOYJVVYHTG-UHFFFAOYSA-N 0 0 338.348 2.963 10 5 EFBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2ccccc2Oc2cccnc2)n1 ZINC001473036105 1397279058 /nfs/dbraw/zinc/27/90/58/1397279058.db2.gz BRCLEJSTJNQCOB-UHFFFAOYSA-N 0 0 341.283 2.935 10 5 EFBERN COc1ccc2c(c1)C[C@@H](CN1CCc3ccc([N+](=O)[O-])cc31)O2 ZINC001473360308 1397297574 /nfs/dbraw/zinc/29/75/74/1397297574.db2.gz IXWKPSAPMGITBH-INIZCTEOSA-N 0 0 326.352 2.970 10 5 EFBERN CC(C)CN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1=O ZINC001473411254 1397300832 /nfs/dbraw/zinc/30/08/32/1397300832.db2.gz UUXVHORJMFMQDF-LBPRGKRZSA-N 0 0 339.823 2.937 10 5 EFBERN CCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H](C)CO ZINC001473515483 1397307322 /nfs/dbraw/zinc/30/73/22/1397307322.db2.gz REFXONPVPLIKCK-SECBINFHSA-N 0 0 340.767 2.501 10 5 EFBERN COC(=O)[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001473646934 1397317730 /nfs/dbraw/zinc/31/77/30/1397317730.db2.gz GOXLKEXABNREOL-INIZCTEOSA-N 0 0 348.330 2.746 10 5 EFBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](O)CC(C)(C)C1 ZINC001473722159 1397324796 /nfs/dbraw/zinc/32/47/96/1397324796.db2.gz LPDZVJKMMAFHAU-FZMZJTMJSA-N 0 0 346.387 2.799 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(Cc2ccno2)CC1 ZINC001473753273 1397328400 /nfs/dbraw/zinc/32/84/00/1397328400.db2.gz VMDYWLGIVMZZIL-UHFFFAOYSA-N 0 0 336.779 2.554 10 5 EFBERN COC(=O)C(C)(C)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC001473754556 1397328477 /nfs/dbraw/zinc/32/84/77/1397328477.db2.gz OHQCMYZUXMJLAA-UHFFFAOYSA-N 0 0 338.404 2.958 10 5 EFBERN CN(C)c1nc2c(s1)CN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001473763791 1397328821 /nfs/dbraw/zinc/32/88/21/1397328821.db2.gz JUADWFGGZFUYDO-UHFFFAOYSA-N 0 0 348.428 2.554 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001473805235 1397333838 /nfs/dbraw/zinc/33/38/38/1397333838.db2.gz XWXSXKDLDSZQIC-ZDUSSCGKSA-N 0 0 343.343 2.673 10 5 EFBERN C[C@@H](CNC(=O)NCC(C)(C)CCCO)c1ccccc1[N+](=O)[O-] ZINC001478322740 1397575113 /nfs/dbraw/zinc/57/51/13/1397575113.db2.gz SXBHMPRGZARTAB-ZDUSSCGKSA-N 0 0 337.420 2.796 10 5 EFBERN CCC(O)(CC)CCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001478441858 1397580697 /nfs/dbraw/zinc/58/06/97/1397580697.db2.gz HFBUELYZZPCFIV-CYBMUJFWSA-N 0 0 337.420 2.939 10 5 EFBERN CCC[C@H]1CCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001478536266 1397583285 /nfs/dbraw/zinc/58/32/85/1397583285.db2.gz VBMKOXLECFWRCX-NSHDSACASA-N 0 0 331.376 2.945 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1C1CCC1 ZINC001478859141 1397592286 /nfs/dbraw/zinc/59/22/86/1397592286.db2.gz DMQALVNIXJZTNE-KBPBESRZSA-N 0 0 332.404 2.742 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001479026285 1397602946 /nfs/dbraw/zinc/60/29/46/1397602946.db2.gz NNPCWJMDGJISDJ-HZSPNIEDSA-N 0 0 332.404 2.742 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC001479122192 1397610235 /nfs/dbraw/zinc/61/02/35/1397610235.db2.gz MLTTXJXZWZIWGU-OAHLLOKOSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1cccc(NCCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001479212323 1397619737 /nfs/dbraw/zinc/61/97/37/1397619737.db2.gz LSKLOBNZSVAWHQ-ZDUSSCGKSA-N 0 0 343.387 2.771 10 5 EFBERN CO[C@]12CCC[C@@]1(NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC001479212829 1397619924 /nfs/dbraw/zinc/61/99/24/1397619924.db2.gz HHXMUPHIFNCQOQ-JLZZUVOBSA-N 0 0 349.387 2.641 10 5 EFBERN C[C@@H](NC(=O)N[C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001479297205 1397670749 /nfs/dbraw/zinc/67/07/49/1397670749.db2.gz RSJPQJIPQWTWIH-MLGOLLRUSA-N 0 0 335.404 2.896 10 5 EFBERN CCc1onc(C)c1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001479419084 1397721790 /nfs/dbraw/zinc/72/17/90/1397721790.db2.gz BGADOBYZHOYMKW-UHFFFAOYSA-N 0 0 330.344 2.679 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001479551363 1397755330 /nfs/dbraw/zinc/75/53/30/1397755330.db2.gz 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336.294 2.828 10 5 EFBERN O=C(Nc1nc(C2CC2)c[nH]1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001557260595 1415115862 /nfs/dbraw/zinc/11/58/62/1415115862.db2.gz XOKLWKWRROMGMR-UHFFFAOYSA-N 0 0 348.384 2.532 10 5 EFBERN Cc1cc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)cc([N+](=O)[O-])c1 ZINC001557265569 1415116566 /nfs/dbraw/zinc/11/65/66/1415116566.db2.gz FLNVLAQNJCBKPA-CYBMUJFWSA-N 0 0 349.412 2.947 10 5 EFBERN Cc1ccc(-n2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])n2)cc1 ZINC001557297881 1415119101 /nfs/dbraw/zinc/11/91/01/1415119101.db2.gz HEMBDNCIPGAIDH-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F ZINC001557345261 1415121650 /nfs/dbraw/zinc/12/16/50/1415121650.db2.gz RLSKXCDANXLYIG-PSLIRLAXSA-N 0 0 336.294 2.725 10 5 EFBERN Cc1c(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)cccc1[N+](=O)[O-] ZINC001557345918 1415121943 /nfs/dbraw/zinc/12/19/43/1415121943.db2.gz YCRZVNVMOINOLM-MEDUHNTESA-N 0 0 332.331 2.894 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1c2ccccc2C[C@@H]1CO ZINC001557434733 1415124838 /nfs/dbraw/zinc/12/48/38/1415124838.db2.gz XFYCGWHFJZBFRU-CYBMUJFWSA-N 0 0 337.335 2.640 10 5 EFBERN CSc1cc(Cl)ccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001557448171 1415126520 /nfs/dbraw/zinc/12/65/20/1415126520.db2.gz IFUHADJINRUQQR-UHFFFAOYSA-N 0 0 326.765 2.956 10 5 EFBERN C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557485406 1415127678 /nfs/dbraw/zinc/12/76/78/1415127678.db2.gz FVQXMGLONMZGQS-HWPZZCPQSA-N 0 0 335.335 2.560 10 5 EFBERN C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001557485665 1415127732 /nfs/dbraw/zinc/12/77/32/1415127732.db2.gz IFXVAIMCCCZDRJ-QLJPJBMISA-N 0 0 335.335 2.560 10 5 EFBERN O=C(Nn1cccn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001557491175 1415128490 /nfs/dbraw/zinc/12/84/90/1415128490.db2.gz WNKDPUXHYZMOGJ-UHFFFAOYSA-N 0 0 337.339 2.787 10 5 EFBERN CCCOc1cncc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC001557548037 1415130572 /nfs/dbraw/zinc/13/05/72/1415130572.db2.gz LBSWTJXOKFUUOJ-UHFFFAOYSA-N 0 0 344.371 2.854 10 5 EFBERN COc1cccc(CC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC001557581712 1415132747 /nfs/dbraw/zinc/13/27/47/1415132747.db2.gz WDIWDZNVTFCBCD-UHFFFAOYSA-N 0 0 341.367 2.910 10 5 EFBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCn2nccc2C1 ZINC001557588139 1415132969 /nfs/dbraw/zinc/13/29/69/1415132969.db2.gz ZLNCGUHJFHMSDN-UHFFFAOYSA-N 0 0 341.154 2.754 10 5 EFBERN O=C(Nc1ccccc1-c1ncco1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001557587689 1415133085 /nfs/dbraw/zinc/13/30/85/1415133085.db2.gz XXFVATHQJJBJCQ-HNNXBMFYSA-N 0 0 339.307 2.922 10 5 EFBERN Nc1c(C(=O)Nc2ccsn2)cc(Br)cc1[N+](=O)[O-] ZINC001558074691 1415158431 /nfs/dbraw/zinc/15/84/31/1415158431.db2.gz FCMQVNBYBRGVGP-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)c2ccc(F)cc2F)c1 ZINC001557617344 1415134518 /nfs/dbraw/zinc/13/45/18/1415134518.db2.gz PBDATGOVLMLKMH-AWEZNQCLSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1(O)CCC(F)(F)CC1 ZINC001557624446 1415134578 /nfs/dbraw/zinc/13/45/78/1415134578.db2.gz IDXPWZZARASWSS-UHFFFAOYSA-N 0 0 346.305 2.713 10 5 EFBERN COc1ccc2c(c1)N(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CCC2 ZINC001557654170 1415136307 /nfs/dbraw/zinc/13/63/07/1415136307.db2.gz VBDZEQSDSXBESA-UHFFFAOYSA-N 0 0 336.735 2.573 10 5 EFBERN COc1cccc(C(=O)N2CCOc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC001557771397 1415144305 /nfs/dbraw/zinc/14/43/05/1415144305.db2.gz BYBYUXVEFGQFEY-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001558054573 1415157657 /nfs/dbraw/zinc/15/76/57/1415157657.db2.gz GEFBCQSZAIKLOC-PHDIDXHHSA-N 0 0 338.673 2.598 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cc2cnccc2o1 ZINC001558068362 1415158378 /nfs/dbraw/zinc/15/83/78/1415158378.db2.gz TUXTXUIGLGUOHF-QMMMGPOBSA-N 0 0 344.302 2.948 10 5 EFBERN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1Cl ZINC001558089390 1415159519 /nfs/dbraw/zinc/15/95/19/1415159519.db2.gz MJVBMJNSJXAYAN-VIFPVBQESA-N 0 0 347.749 2.565 10 5 EFBERN CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H](CO)c1ccccc1 ZINC001558098909 1415160238 /nfs/dbraw/zinc/16/02/38/1415160238.db2.gz OVNUQVUJJUWKII-MRXNPFEDSA-N 0 0 332.331 2.930 10 5 EFBERN Cc1nc(C(C)C)sc1C(=O)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001558174748 1415163818 /nfs/dbraw/zinc/16/38/18/1415163818.db2.gz XKIDCKWLJQTKLG-UHFFFAOYSA-N 0 0 341.433 2.709 10 5 EFBERN COc1nscc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001558177559 1415164590 /nfs/dbraw/zinc/16/45/90/1415164590.db2.gz CHTOYDMAIHIWBM-UHFFFAOYSA-N 0 0 325.371 2.791 10 5 EFBERN COC(=O)c1c(C)c(C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001558210917 1415166131 /nfs/dbraw/zinc/16/61/31/1415166131.db2.gz YKASOLPRMTZAAB-UHFFFAOYSA-N 0 0 343.339 2.833 10 5 EFBERN CC(C)c1cc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)[nH]n1 ZINC001558222514 1415166650 /nfs/dbraw/zinc/16/66/50/1415166650.db2.gz PBVFPQHBTYQSRA-NSHDSACASA-N 0 0 331.376 2.789 10 5 EFBERN CC(C)(C)Oc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC001558219756 1415166657 /nfs/dbraw/zinc/16/66/57/1415166657.db2.gz CKVQLNWHGLCDAT-UHFFFAOYSA-N 0 0 344.371 2.679 10 5 EFBERN CCc1ccc(C(=O)N2CC[C@@]3(C(=O)OC)CCC[C@@H]23)cc1[N+](=O)[O-] ZINC001558241187 1415167685 /nfs/dbraw/zinc/16/76/85/1415167685.db2.gz RLLGJXXKBLHZIH-QAPCUYQASA-N 0 0 346.383 2.715 10 5 EFBERN CC(C)C(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001558293025 1415170743 /nfs/dbraw/zinc/17/07/43/1415170743.db2.gz RJMIGOBZYCLHJV-MRXNPFEDSA-N 0 0 341.367 2.873 10 5 EFBERN CNc1c(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)cccc1[N+](=O)[O-] ZINC001558326138 1415172788 /nfs/dbraw/zinc/17/27/88/1415172788.db2.gz BHZZCFRSRNFUJW-DOMZBBRYSA-N 0 0 345.330 2.838 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1c2ccccc2OC[C@H]1F ZINC001558326942 1415172979 /nfs/dbraw/zinc/17/29/79/1415172979.db2.gz HWIQHFRQJDSPIW-CJNGLKHVSA-N 0 0 348.305 2.864 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001558373662 1415176673 /nfs/dbraw/zinc/17/66/73/1415176673.db2.gz WFMUMSCBIYEHSV-UDVXPWBQSA-N 0 0 340.383 2.802 10 5 EFBERN O=C(NCc1cscc1Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558393693 1415177881 /nfs/dbraw/zinc/17/78/81/1415177881.db2.gz WTZUACRTYLTPPD-GFCCVEGCSA-N 0 0 326.761 2.660 10 5 EFBERN CCOc1ccc(C(=O)NCc2cc(C(F)F)on2)cc1[N+](=O)[O-] ZINC001558391454 1415177890 /nfs/dbraw/zinc/17/78/90/1415177890.db2.gz PJQXMYMOPFOUDC-UHFFFAOYSA-N 0 0 341.270 2.849 10 5 EFBERN COc1cc2c(cc1O)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC001558396050 1415178039 /nfs/dbraw/zinc/17/80/39/1415178039.db2.gz UIJPFGNNQWVITG-UHFFFAOYSA-N 0 0 346.314 2.647 10 5 EFBERN Cn1cnc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)ccc21 ZINC001558390163 1415178240 /nfs/dbraw/zinc/17/82/40/1415178240.db2.gz OBQULVHJZREPBS-UHFFFAOYSA-N 0 0 328.303 2.551 10 5 EFBERN Cc1cc(CO)cc(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001558431674 1415179034 /nfs/dbraw/zinc/17/90/34/1415179034.db2.gz QTLRUWIOOYAQOL-UHFFFAOYSA-N 0 0 332.331 2.773 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ncon3)C2)c1C ZINC001558448820 1415179863 /nfs/dbraw/zinc/17/98/63/1415179863.db2.gz AFTCJCHNDBNJOF-LBPRGKRZSA-N 0 0 330.344 2.614 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ncon2)C1 ZINC001558449048 1415179901 /nfs/dbraw/zinc/17/99/01/1415179901.db2.gz DKRNOYIOMAJDKU-LBPRGKRZSA-N 0 0 330.344 2.614 10 5 EFBERN C[C@H](COCC1CCCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001558456750 1415180486 /nfs/dbraw/zinc/18/04/86/1415180486.db2.gz WGADRSSQQRIXIV-GFCCVEGCSA-N 0 0 335.404 2.892 10 5 EFBERN C[C@@H](COCC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001558454054 1415180842 /nfs/dbraw/zinc/18/08/42/1415180842.db2.gz CJJQOTHTJKFXGG-LBPRGKRZSA-N 0 0 335.404 2.892 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c(C)nc1C ZINC001558462187 1415181266 /nfs/dbraw/zinc/18/12/66/1415181266.db2.gz COSLKWYEVPIRFV-UHFFFAOYSA-N 0 0 334.401 2.977 10 5 EFBERN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001558477459 1415182726 /nfs/dbraw/zinc/18/27/26/1415182726.db2.gz JHXKDIVVYGQQSR-DOMZBBRYSA-N 0 0 340.383 2.980 10 5 EFBERN Cn1nc(C2CC2)cc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001558515666 1415184236 /nfs/dbraw/zinc/18/42/36/1415184236.db2.gz DZUQMMVRAAGLCQ-UHFFFAOYSA-N 0 0 339.355 2.617 10 5 EFBERN CCOC(=O)c1n[nH]c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC001558563186 1415189673 /nfs/dbraw/zinc/18/96/73/1415189673.db2.gz UMJYDMRMSXGUHY-SECBINFHSA-N 0 0 346.343 2.545 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001558574886 1415190514 /nfs/dbraw/zinc/19/05/14/1415190514.db2.gz ZUZDXXQLRAXSIU-SGTLLEGYSA-N 0 0 338.367 2.723 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(OCCO)nc1 ZINC001558585422 1415191239 /nfs/dbraw/zinc/19/12/39/1415191239.db2.gz ZDYQDVNNAUYKGU-UHFFFAOYSA-N 0 0 345.355 2.538 10 5 EFBERN COc1ccc(C=O)cc1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603124 1415192350 /nfs/dbraw/zinc/19/23/50/1415192350.db2.gz JTTWSQXYUXNWGC-LBPRGKRZSA-N 0 0 342.351 2.949 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c(N)c1[N+](=O)[O-] ZINC001558675739 1415193834 /nfs/dbraw/zinc/19/38/34/1415193834.db2.gz FDTFIYJLWHIORP-MGPLVRAMSA-N 0 0 343.339 2.652 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC001558669161 1415194119 /nfs/dbraw/zinc/19/41/19/1415194119.db2.gz FNKVMRBZGDORJR-GXSJLCMTSA-N 0 0 348.334 2.745 10 5 EFBERN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001558676292 1415194248 /nfs/dbraw/zinc/19/42/48/1415194248.db2.gz UTFNNOKNQLTDCV-SECBINFHSA-N 0 0 331.376 2.643 10 5 EFBERN Cc1ccc(NC(=O)C[C@](C)(O)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001558676674 1415194761 /nfs/dbraw/zinc/19/47/61/1415194761.db2.gz LKOSJFJHLXCRRO-KRWDZBQOSA-N 0 0 329.356 2.722 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001558714206 1415196996 /nfs/dbraw/zinc/19/69/96/1415196996.db2.gz IAZAADUZHOLTCE-MNOVXSKESA-N 0 0 345.355 2.538 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001558724513 1415197826 /nfs/dbraw/zinc/19/78/26/1415197826.db2.gz SKLWQXMYAPKCHR-UHFFFAOYSA-N 0 0 334.759 2.713 10 5 EFBERN O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558735135 1415198047 /nfs/dbraw/zinc/19/80/47/1415198047.db2.gz ANCJJBKCOTXEQE-ZBFHGGJFSA-N 0 0 346.770 2.565 10 5 EFBERN Cc1cc(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cc([N+](=O)[O-])c1 ZINC001558807741 1415203146 /nfs/dbraw/zinc/20/31/46/1415203146.db2.gz QQKAZKVPONPAMN-UHFFFAOYSA-N 0 0 326.312 2.748 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cc(F)ccc1N(C)C ZINC001558862106 1415206805 /nfs/dbraw/zinc/20/68/05/1415206805.db2.gz REWKRDJQGTWGHF-JTQLQIEISA-N 0 0 346.362 2.873 10 5 EFBERN Cn1ccnc1[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F ZINC001558865994 1415207252 /nfs/dbraw/zinc/20/72/52/1415207252.db2.gz CMFQVDQVPVEDEW-JTQLQIEISA-N 0 0 346.240 2.501 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NN2C[C@H]3CCC[C@@H]3C2)c1F ZINC001558872820 1415207589 /nfs/dbraw/zinc/20/75/89/1415207589.db2.gz PYTBEXFGPWBYKK-NXEZZACHSA-N 0 0 325.315 2.558 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001558878222 1415208799 /nfs/dbraw/zinc/20/87/99/1415208799.db2.gz SLIFCMROVLYRJL-JTQLQIEISA-N 0 0 328.340 2.560 10 5 EFBERN CCc1cccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001558927498 1415212132 /nfs/dbraw/zinc/21/21/32/1415212132.db2.gz YNEHJLOIZGCLHS-UHFFFAOYSA-N 0 0 338.327 2.590 10 5 EFBERN CC[C@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(C)c(F)c1 ZINC001558959313 1415214469 /nfs/dbraw/zinc/21/44/69/1415214469.db2.gz NJYLAAKZYOLZOQ-ZDUSSCGKSA-N 0 0 334.351 2.965 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCc2n[nH]cc21 ZINC001559004438 1415217523 /nfs/dbraw/zinc/21/75/23/1415217523.db2.gz NFXLDCISXZRWPY-CYBMUJFWSA-N 0 0 337.339 2.925 10 5 EFBERN CCOC(=O)CSc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559052531 1415221826 /nfs/dbraw/zinc/22/18/26/1415221826.db2.gz VFCJWIAPXIIBQH-UHFFFAOYSA-N 0 0 337.313 2.706 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCc1cc(F)ccc1Br ZINC001559075284 1415223032 /nfs/dbraw/zinc/22/30/32/1415223032.db2.gz GCUKNUBXXUNDLB-UHFFFAOYSA-N 0 0 329.129 2.842 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCC3CCOCC3)c2c1 ZINC001559107860 1415224059 /nfs/dbraw/zinc/22/40/59/1415224059.db2.gz QVZJKJXJYPTNET-UHFFFAOYSA-N 0 0 331.372 2.802 10 5 EFBERN CCN(C)c1ccccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559099424 1415224222 /nfs/dbraw/zinc/22/42/22/1415224222.db2.gz PXYYQSXUTKKBIG-UHFFFAOYSA-N 0 0 328.372 2.762 10 5 EFBERN CN(C[C@@H]1CCCOC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559108304 1415224298 /nfs/dbraw/zinc/22/42/98/1415224298.db2.gz HYZFCCDXCHCMAR-NSHDSACASA-N 0 0 346.343 2.914 10 5 EFBERN CCCC[C@@H](CCC)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001559126364 1415225788 /nfs/dbraw/zinc/22/57/88/1415225788.db2.gz FIMDTWCPKGOQCS-CYBMUJFWSA-N 0 0 337.424 2.992 10 5 EFBERN CCCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)o1 ZINC001559133652 1415225812 /nfs/dbraw/zinc/22/58/12/1415225812.db2.gz NYEDAVKBJPLYSH-UHFFFAOYSA-N 0 0 348.384 2.974 10 5 EFBERN C[C@@H](C[C@@H](O)c1ccco1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001559136778 1415225854 /nfs/dbraw/zinc/22/58/54/1415225854.db2.gz CVZBUCYYCPRANZ-JGVFFNPUSA-N 0 0 348.281 2.864 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@H](C)Cc3cc(C)[nH]n3)c2c1 ZINC001559139793 1415226402 /nfs/dbraw/zinc/22/64/02/1415226402.db2.gz LTMMEVZXYGYNKB-SNVBAGLBSA-N 0 0 341.371 2.648 10 5 EFBERN C[C@H](C[C@H](O)c1ccco1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001559136779 1415226691 /nfs/dbraw/zinc/22/66/91/1415226691.db2.gz CVZBUCYYCPRANZ-SFYZADRCSA-N 0 0 348.281 2.864 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@@H](C)Cc3cc(C)[nH]n3)c2c1 ZINC001559139792 1415226701 /nfs/dbraw/zinc/22/67/01/1415226701.db2.gz LTMMEVZXYGYNKB-JTQLQIEISA-N 0 0 341.371 2.648 10 5 EFBERN COc1ccc2c(c1)[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)CCC2 ZINC001559155705 1415227393 /nfs/dbraw/zinc/22/73/93/1415227393.db2.gz SRMAJPLBOQFBCP-OAHLLOKOSA-N 0 0 342.355 2.587 10 5 EFBERN Cn1c2ccccc2c(N[C@H]2C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1=O ZINC001559174657 1415227871 /nfs/dbraw/zinc/22/78/71/1415227871.db2.gz IWAHDAGLBPCNCC-KGLIPLIRSA-N 0 0 336.351 2.810 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCc2cccc(OCC(F)(F)F)c2)n1 ZINC001559173237 1415227945 /nfs/dbraw/zinc/22/79/45/1415227945.db2.gz GPHKLJISHQTFHT-UHFFFAOYSA-N 0 0 344.293 2.924 10 5 EFBERN CCOc1cc(Oc2cc(C)nc3nc(C)nn32)ccc1[N+](=O)[O-] ZINC001559184421 1415228364 /nfs/dbraw/zinc/22/83/64/1415228364.db2.gz HLYYTVGMVMACGC-UHFFFAOYSA-N 0 0 329.316 2.840 10 5 EFBERN CS[C@@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001559199565 1415229364 /nfs/dbraw/zinc/22/93/64/1415229364.db2.gz FJDFQQNBUKWOTK-SNVBAGLBSA-N 0 0 334.357 2.993 10 5 EFBERN CCOCC(C)(C)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559203112 1415229406 /nfs/dbraw/zinc/22/94/06/1415229406.db2.gz JBCSJMBFVQLTCD-UHFFFAOYSA-N 0 0 348.359 2.948 10 5 EFBERN CC(F)(F)CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559200972 1415229539 /nfs/dbraw/zinc/22/95/39/1415229539.db2.gz DVJYKGCWGJYURJ-UHFFFAOYSA-N 0 0 326.259 2.930 10 5 EFBERN COC(=O)/C=C\c1ccc(NCc2cnc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001559207336 1415230016 /nfs/dbraw/zinc/23/00/16/1415230016.db2.gz KRLXHSRUMVWGSD-HYXAFXHYSA-N 0 0 348.746 2.837 10 5 EFBERN CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC001559224515 1415230880 /nfs/dbraw/zinc/23/08/80/1415230880.db2.gz CWWHUEASHQMGRW-UHFFFAOYSA-N 0 0 328.210 2.888 10 5 EFBERN CC1(c2nnc(-c3cccnc3)o2)CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC001559241444 1415232393 /nfs/dbraw/zinc/23/23/93/1415232393.db2.gz QTKJMHYEAWHMKT-UHFFFAOYSA-N 0 0 337.339 2.818 10 5 EFBERN CC(=O)c1ccc(N[C@@H]2Cc3ccccc3N(C)C2=O)c([N+](=O)[O-])c1 ZINC001559234123 1415232687 /nfs/dbraw/zinc/23/26/87/1415232687.db2.gz TYMRHFCBRXRPGH-OAHLLOKOSA-N 0 0 339.351 2.797 10 5 EFBERN COC(=O)c1ccnc(Oc2cnc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC001559241954 1415232803 /nfs/dbraw/zinc/23/28/03/1415232803.db2.gz BTCIBJSCTSTFDO-UHFFFAOYSA-N 0 0 327.655 2.756 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC001559259345 1415234158 /nfs/dbraw/zinc/23/41/58/1415234158.db2.gz SGYFUVYTBRCOQI-DTORHVGOSA-N 0 0 328.394 2.767 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@](O)(CC)C2)cc1C ZINC001559254896 1415234305 /nfs/dbraw/zinc/23/43/05/1415234305.db2.gz AQKDYBLNZYGESD-KRWDZBQOSA-N 0 0 336.388 2.821 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N(C)Cc3ncccn3)c2c1 ZINC001559266131 1415234620 /nfs/dbraw/zinc/23/46/20/1415234620.db2.gz PSLWLYBJNBPFCU-UHFFFAOYSA-N 0 0 325.328 2.578 10 5 EFBERN O=[N+]([O-])c1c(NCC[C@H]2CCCS2(=O)=O)ccc2cnccc21 ZINC001559268878 1415235091 /nfs/dbraw/zinc/23/50/91/1415235091.db2.gz XOKWLBQKQNMVRG-GFCCVEGCSA-N 0 0 335.385 2.522 10 5 EFBERN COC(=O)c1ccnc(NCc2c(F)cc(F)cc2F)c1[N+](=O)[O-] ZINC001559275581 1415235364 /nfs/dbraw/zinc/23/53/64/1415235364.db2.gz LGDIZWCHPYQNAV-UHFFFAOYSA-N 0 0 341.245 2.806 10 5 EFBERN CC(=O)c1ccc(N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001559283064 1415236376 /nfs/dbraw/zinc/23/63/76/1415236376.db2.gz SJGATFPZLCWEBU-SUMWQHHRSA-N 0 0 347.371 2.512 10 5 EFBERN CC(C)Oc1nc(N2Cc3c[nH]nc3C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001559280447 1415236501 /nfs/dbraw/zinc/23/65/01/1415236501.db2.gz GPLLRPFXQQPBDW-NSHDSACASA-N 0 0 331.376 2.699 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC3(CCC3)O2)n1 ZINC001559286522 1415236517 /nfs/dbraw/zinc/23/65/17/1415236517.db2.gz CSGZJXCIVVJXHT-LLVKDONJSA-N 0 0 335.360 2.680 10 5 EFBERN CCC(=O)c1ccc(N[C@H]2C(=O)NCC2(CC)CC)c([N+](=O)[O-])c1 ZINC001559288651 1415237256 /nfs/dbraw/zinc/23/72/56/1415237256.db2.gz MPJGKGKTDIDVLH-HNNXBMFYSA-N 0 0 333.388 2.904 10 5 EFBERN Cc1nc(NCc2ccc(F)nc2Br)ncc1[N+](=O)[O-] ZINC001559290279 1415237292 /nfs/dbraw/zinc/23/72/92/1415237292.db2.gz WOCGSAYGKJHJIR-UHFFFAOYSA-N 0 0 342.128 2.602 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001559291363 1415237317 /nfs/dbraw/zinc/23/73/17/1415237317.db2.gz FPXOKEPGXZWBQM-JTQLQIEISA-N 0 0 330.344 2.695 10 5 EFBERN Cn1nc(CNc2nc3ccccn3c2[N+](=O)[O-])cc1C(F)(F)F ZINC001559299223 1415237879 /nfs/dbraw/zinc/23/78/79/1415237879.db2.gz YZPVPHOCNNXPBS-UHFFFAOYSA-N 0 0 340.265 2.607 10 5 EFBERN O=C1Nc2ccc(F)cc2C2(CN(c3ncc([N+](=O)[O-])cc3F)C2)O1 ZINC001559299246 1415237979 /nfs/dbraw/zinc/23/79/79/1415237979.db2.gz ZSUFAELQPBPSBD-UHFFFAOYSA-N 0 0 348.265 2.546 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001559302240 1415238087 /nfs/dbraw/zinc/23/80/87/1415238087.db2.gz BVEBEFWMTHXNHB-MGCOHNPYSA-N 0 0 347.375 2.939 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(CCO)cc2)c1 ZINC001559298113 1415238106 /nfs/dbraw/zinc/23/81/06/1415238106.db2.gz HUXGSKPVVDBBIP-UHFFFAOYSA-N 0 0 330.340 2.528 10 5 EFBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cc(C(F)(F)F)co1 ZINC001559311405 1415238977 /nfs/dbraw/zinc/23/89/77/1415238977.db2.gz RKRVNLKWCHRBBE-UHFFFAOYSA-N 0 0 339.229 2.965 10 5 EFBERN CCOC(OCC)[C@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001559305981 1415239079 /nfs/dbraw/zinc/23/90/79/1415239079.db2.gz DERBSHSLFJRLGQ-JTQLQIEISA-N 0 0 326.349 2.581 10 5 EFBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCC2(CCC2)O1 ZINC001559366581 1415241066 /nfs/dbraw/zinc/24/10/66/1415241066.db2.gz BRCPQELNWAXVTO-CQSZACIVSA-N 0 0 345.355 2.903 10 5 EFBERN O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc([N+](=O)[O-])cc1F ZINC001559358048 1415241473 /nfs/dbraw/zinc/24/14/73/1415241473.db2.gz UWKABWIIUOSXGO-UHFFFAOYSA-N 0 0 344.220 2.797 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Br)cn1CCc1cccc(F)c1 ZINC001559387997 1415242526 /nfs/dbraw/zinc/24/25/26/1415242526.db2.gz UFIAUUZHCYEFRE-UHFFFAOYSA-N 0 0 341.136 2.901 10 5 EFBERN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CCOc1ccc(F)cc1 ZINC001559409046 1415243354 /nfs/dbraw/zinc/24/33/54/1415243354.db2.gz ZIGWZLGZSFMZAD-UHFFFAOYSA-N 0 0 345.286 2.630 10 5 EFBERN COc1ccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)cc1C ZINC001559410349 1415243840 /nfs/dbraw/zinc/24/38/40/1415243840.db2.gz FAQGFONWCSOEKQ-UHFFFAOYSA-N 0 0 331.353 2.732 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccccc3F)o2)c1=O ZINC001559448443 1415246693 /nfs/dbraw/zinc/24/66/93/1415246693.db2.gz ABDJOGGSKSZCNB-UHFFFAOYSA-N 0 0 345.286 2.608 10 5 EFBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(Cn3cc(Cl)cn3)n2)c1 ZINC001559470802 1415248386 /nfs/dbraw/zinc/24/83/86/1415248386.db2.gz OBTWPDAARAVTHB-UHFFFAOYSA-N 0 0 339.142 2.862 10 5 EFBERN O=[N+]([O-])c1cccc(N2CCN(CCSC(F)(F)F)CC2)c1 ZINC001559482532 1415248978 /nfs/dbraw/zinc/24/89/78/1415248978.db2.gz HJMWIMQVJARCNN-UHFFFAOYSA-N 0 0 335.351 2.970 10 5 EFBERN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC001559499257 1415249108 /nfs/dbraw/zinc/24/91/08/1415249108.db2.gz MVBZVACNYZHBAD-UHFFFAOYSA-N 0 0 333.348 2.647 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001559491292 1415249344 /nfs/dbraw/zinc/24/93/44/1415249344.db2.gz CYJVJHCSLUZIFM-CYBMUJFWSA-N 0 0 346.391 2.587 10 5 EFBERN C[C@@H](NCc1cccnc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC001559730640 1415253555 /nfs/dbraw/zinc/25/35/55/1415253555.db2.gz LWCSFDQDBOGFIJ-GFCCVEGCSA-N 0 0 339.355 2.814 10 5 EFBERN COC(=O)c1cccc(OCCN2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001559729348 1415253643 /nfs/dbraw/zinc/25/36/43/1415253643.db2.gz UPIFASNYZBHPIY-UHFFFAOYSA-N 0 0 342.351 2.823 10 5 EFBERN CCn1cc([C@@H](C)NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC001559835232 1415256371 /nfs/dbraw/zinc/25/63/71/1415256371.db2.gz DUXHXQINAZUDRV-LLVKDONJSA-N 0 0 342.359 2.712 10 5 EFBERN COc1ccc2c(c1)CN(CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC001559843027 1415256994 /nfs/dbraw/zinc/25/69/94/1415256994.db2.gz OEEVBUJFLGVSCO-UHFFFAOYSA-N 0 0 344.367 2.877 10 5 EFBERN O=C1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)CN1 ZINC001560167761 1415266444 /nfs/dbraw/zinc/26/64/44/1415266444.db2.gz YBHFFAYVJYEJMA-MRXNPFEDSA-N 0 0 347.321 2.546 10 5 EFBERN CCOC(CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC001564577302 1415379336 /nfs/dbraw/zinc/37/93/36/1415379336.db2.gz NTKDIVHETJDRIU-GFCCVEGCSA-N 0 0 339.392 2.744 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC001564754905 1415381897 /nfs/dbraw/zinc/38/18/97/1415381897.db2.gz RBJNEBONOPJBEO-WCQYABFASA-N 0 0 329.360 2.605 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001565297285 1415393034 /nfs/dbraw/zinc/39/30/34/1415393034.db2.gz NAOMSARHPMIWKV-SGMGOOAPSA-N 0 0 349.387 2.687 10 5 EFBERN O=C(NCc1cc(C2CC2)no1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001565334151 1415393060 /nfs/dbraw/zinc/39/30/60/1415393060.db2.gz KWGDFIABLIAHBY-UHFFFAOYSA-N 0 0 328.328 2.686 10 5 EFBERN Cc1ccoc1C(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001565500191 1415398663 /nfs/dbraw/zinc/39/86/63/1415398663.db2.gz RTNPXDRTMQFKSJ-UHFFFAOYSA-N 0 0 335.385 2.516 10 5 EFBERN Cc1ccc(F)c(CC(=O)NCCN(C)c2ccccc2[N+](=O)[O-])c1 ZINC001565598645 1415405854 /nfs/dbraw/zinc/40/58/54/1415405854.db2.gz PPDFTOUPOKJSGY-UHFFFAOYSA-N 0 0 345.374 2.837 10 5 EFBERN CN(CCNC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC001565599141 1415405962 /nfs/dbraw/zinc/40/59/62/1415405962.db2.gz IZLWLSGDOMSLNL-UHFFFAOYSA-N 0 0 342.399 2.668 10 5 EFBERN CCC(CC)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1F ZINC001565599351 1415406043 /nfs/dbraw/zinc/40/60/43/1415406043.db2.gz TWCLCIKXVFDPQR-UHFFFAOYSA-N 0 0 326.372 2.508 10 5 EFBERN COc1cc(Cl)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001565781267 1415415320 /nfs/dbraw/zinc/41/53/20/1415415320.db2.gz LXCREVJDJOKRRS-UHFFFAOYSA-N 0 0 335.747 2.769 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)cc1[N+](=O)[O-] ZINC001566126510 1415525431 /nfs/dbraw/zinc/52/54/31/1415525431.db2.gz SBXQLAWACOFUEJ-JTQLQIEISA-N 0 0 342.355 2.767 10 5 EFBERN CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C12CCCC2 ZINC001566168261 1415533048 /nfs/dbraw/zinc/53/30/48/1415533048.db2.gz YYWNYMXEAJAJJH-LSDHHAIUSA-N 0 0 333.388 2.645 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C12CCCC2 ZINC001566168259 1415533247 /nfs/dbraw/zinc/53/32/47/1415533247.db2.gz YYWNYMXEAJAJJH-GJZGRUSLSA-N 0 0 333.388 2.645 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001566182661 1415533876 /nfs/dbraw/zinc/53/38/76/1415533876.db2.gz XKJOPHGSUSJMDE-UHFFFAOYSA-N 0 0 346.774 2.540 10 5 EFBERN CCCCCOC1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001566188593 1415534457 /nfs/dbraw/zinc/53/44/57/1415534457.db2.gz ARVXHBXLCSWNDO-UHFFFAOYSA-N 0 0 341.795 2.862 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)n1 ZINC001566208859 1415535420 /nfs/dbraw/zinc/53/54/20/1415535420.db2.gz PHCGLYMZSQQNEG-HIFRSBDPSA-N 0 0 331.372 2.662 10 5 EFBERN COc1ccc(C[C@H]2CCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC001566253245 1415537446 /nfs/dbraw/zinc/53/74/46/1415537446.db2.gz MIPKDXHOXDCAEV-CQSZACIVSA-N 0 0 341.367 2.764 10 5 EFBERN CC(C)C[C@@H](O)CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001566312371 1415539507 /nfs/dbraw/zinc/53/95/07/1415539507.db2.gz HAMNCUKKXLRPPO-CQSZACIVSA-N 0 0 343.383 2.794 10 5 EFBERN O=C(NCc1ccc(O)c(F)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001566357837 1415542495 /nfs/dbraw/zinc/54/24/95/1415542495.db2.gz NQIZLQQMUXEAJL-KBPBESRZSA-N 0 0 330.315 2.859 10 5 EFBERN Nc1c(C(=O)N[C@H]2CC[C@H](CO)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001566397611 1415544886 /nfs/dbraw/zinc/54/48/86/1415544886.db2.gz UKIARJPZIDVSBF-AULYBMBSSA-N 0 0 343.383 2.611 10 5 EFBERN O=C(NCCc1cscn1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001566389047 1415544973 /nfs/dbraw/zinc/54/49/73/1415544973.db2.gz FRNIYSSJZXHKFU-UHFFFAOYSA-N 0 0 329.740 2.816 10 5 EFBERN O=C(Nc1ccc(F)cc1NC1CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566402536 1415545305 /nfs/dbraw/zinc/54/53/05/1415545305.db2.gz RSSHKAPCCAVROJ-UHFFFAOYSA-N 0 0 339.714 2.937 10 5 EFBERN O=C(N[C@@H]1COc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001566424803 1415545780 /nfs/dbraw/zinc/54/57/80/1415545780.db2.gz CEKTWJWXEDCLJP-CYBMUJFWSA-N 0 0 346.726 2.622 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001566416246 1415546173 /nfs/dbraw/zinc/54/61/73/1415546173.db2.gz MCUFWEWZEGSTPN-MRVPVSSYSA-N 0 0 338.751 2.750 10 5 EFBERN CN(CCCNC(=O)CC1(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001566475714 1415571264 /nfs/dbraw/zinc/57/12/64/1415571264.db2.gz BLKMVOYACVCTMI-UHFFFAOYSA-N 0 0 325.434 2.785 10 5 EFBERN O=C(Nc1n[nH]c2c1cccc2Cl)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566622844 1415700363 /nfs/dbraw/zinc/70/03/63/1415700363.db2.gz OCVFADHIYXTXOI-UHFFFAOYSA-N 0 0 341.114 2.753 10 5 EFBERN CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001566942113 1415860826 /nfs/dbraw/zinc/86/08/26/1415860826.db2.gz OCULHQCCOGFROY-GMSGAONNSA-N 0 0 345.758 2.514 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ncc2ccccc2c1O ZINC001567175436 1415970265 /nfs/dbraw/zinc/97/02/65/1415970265.db2.gz YGIWKEDWDCXWFD-UHFFFAOYSA-N 0 0 337.335 2.821 10 5 EFBERN Cc1cc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001567300436 1416064441 /nfs/dbraw/zinc/06/44/41/1416064441.db2.gz OJCFYMZXKVKFOU-UHFFFAOYSA-N 0 0 345.374 2.904 10 5 EFBERN CC1(C(=O)NCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001567447206 1416143495 /nfs/dbraw/zinc/14/34/95/1416143495.db2.gz PMULANSVOVQZLX-UHFFFAOYSA-N 0 0 331.416 2.866 10 5 EFBERN CC(=O)Nc1ccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)nc1 ZINC001567502123 1416163936 /nfs/dbraw/zinc/16/39/36/1416163936.db2.gz VUKMAAFVUVBJGE-UHFFFAOYSA-N 0 0 328.328 2.817 10 5 EFBERN CC1(C)CO[C@@H](CCC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001567618965 1416212617 /nfs/dbraw/zinc/21/26/17/1416212617.db2.gz UOJIGQNFRURUBQ-HNNXBMFYSA-N 0 0 348.399 2.780 10 5 EFBERN CC1(C)CO[C@H](CCC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001567618966 1416212645 /nfs/dbraw/zinc/21/26/45/1416212645.db2.gz UOJIGQNFRURUBQ-OAHLLOKOSA-N 0 0 348.399 2.780 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nncs2)cc1 ZINC001568399403 1416514983 /nfs/dbraw/zinc/51/49/83/1416514983.db2.gz PHYCRFKZQPEZQV-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN CCOC[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(C)C ZINC001568434000 1416533788 /nfs/dbraw/zinc/53/37/88/1416533788.db2.gz ZWEGFEUBKOLPGG-SNVBAGLBSA-N 0 0 347.774 2.760 10 5 EFBERN Cc1cocc1C(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001568493801 1416543340 /nfs/dbraw/zinc/54/33/40/1416543340.db2.gz GBPWGEYLOGLATN-UHFFFAOYSA-N 0 0 331.372 2.700 10 5 EFBERN COc1cc(C(=O)N[C@H]2CCc3ccc(O)cc32)ccc1[N+](=O)[O-] ZINC001645788891 1416558452 /nfs/dbraw/zinc/55/84/52/1416558452.db2.gz BUOYDDOYQJTZQH-AWEZNQCLSA-N 0 0 328.324 2.726 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)c2cccc(F)c2)c1 ZINC001645844525 1416571809 /nfs/dbraw/zinc/57/18/09/1416571809.db2.gz FIRZZJZRRVTIDS-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)c1cccc(F)c1 ZINC001645851439 1416574386 /nfs/dbraw/zinc/57/43/86/1416574386.db2.gz PDZCMEXXDPVWSB-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN CCc1cccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1O ZINC001645937419 1416588060 /nfs/dbraw/zinc/58/80/60/1416588060.db2.gz MJCXWWYYDNKNFP-UHFFFAOYSA-N 0 0 344.323 2.902 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(F)c(O)cc1Cl ZINC001645997869 1416598003 /nfs/dbraw/zinc/59/80/03/1416598003.db2.gz RHZIIDXTSQUIOL-UHFFFAOYSA-N 0 0 342.714 2.627 10 5 EFBERN C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001646004700 1416598932 /nfs/dbraw/zinc/59/89/32/1416598932.db2.gz GGDOVLAPGLWQGW-VFZGTOFNSA-N 0 0 336.294 2.784 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@@H](c2ncon2)C2CC2)ccc1[N+](=O)[O-] ZINC001646080597 1416610474 /nfs/dbraw/zinc/61/04/74/1416610474.db2.gz SHHQLDPWBFUSRR-CQSZACIVSA-N 0 0 346.343 2.646 10 5 EFBERN C[S@@](=O)(=NC(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001646126699 1416617042 /nfs/dbraw/zinc/61/70/42/1416617042.db2.gz UXFUTAZDPDOLSR-QFIPXVFZSA-N 0 0 325.390 2.748 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1nc[nH]n1 ZINC001646152438 1416621240 /nfs/dbraw/zinc/62/12/40/1416621240.db2.gz OSFJFXMDQDNCNA-ZDUSSCGKSA-N 0 0 349.778 2.663 10 5 EFBERN Cc1ccc(NC(=O)c2c[nH]nc2-c2cccnc2)c(N)c1[N+](=O)[O-] ZINC001646259039 1416639582 /nfs/dbraw/zinc/63/95/82/1416639582.db2.gz JFDOYZZISPKIGO-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c(N)c1[N+](=O)[O-] ZINC001646259885 1416639758 /nfs/dbraw/zinc/63/97/58/1416639758.db2.gz SRJAZZYCWLBDJY-GHMZBOCLSA-N 0 0 349.387 2.792 10 5 EFBERN COc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)nc1Cl ZINC001646259456 1416639794 /nfs/dbraw/zinc/63/97/94/1416639794.db2.gz MQMAPQLGSQDZRP-UHFFFAOYSA-N 0 0 336.735 2.795 10 5 EFBERN C[C@@H](NC(=O)NC[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001684038113 1416691162 /nfs/dbraw/zinc/69/11/62/1416691162.db2.gz BCKIMSAQKMKLAD-FZKQIMNGSA-N 0 0 343.383 2.863 10 5 EFBERN CNc1cc(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001684042919 1416691651 /nfs/dbraw/zinc/69/16/51/1416691651.db2.gz MNWCHAMWZHCCBS-LLVKDONJSA-N 0 0 329.360 2.592 10 5 EFBERN O=C(NCc1ccc[nH]c1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001684451126 1416721157 /nfs/dbraw/zinc/72/11/57/1416721157.db2.gz UNPBLEDNBNVQCR-UHFFFAOYSA-N 0 0 342.355 2.570 10 5 EFBERN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001684664346 1416727357 /nfs/dbraw/zinc/72/73/57/1416727357.db2.gz PPZJOGGKAIAPNH-XOKHGSTOSA-N 0 0 344.415 2.615 10 5 EFBERN C[C@@H](NC(=O)N[C@H]([C@H](CO)C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC001684974002 1416738781 /nfs/dbraw/zinc/73/87/81/1416738781.db2.gz XZNPYVACGDYZKU-JGFGOQIWSA-N 0 0 347.415 2.752 10 5 EFBERN COC(=O)CC(C)(C)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001684977473 1416738970 /nfs/dbraw/zinc/73/89/70/1416738970.db2.gz SFELYCKOCUKWHB-LLVKDONJSA-N 0 0 337.376 2.544 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001685149756 1416751834 /nfs/dbraw/zinc/75/18/34/1416751834.db2.gz WNNBQRCQRRAOOR-CZUORRHYSA-N 0 0 343.383 2.559 10 5 EFBERN Cc1ncoc1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001685896229 1416776991 /nfs/dbraw/zinc/77/69/91/1416776991.db2.gz FBFKRYVXWQYSJZ-UHFFFAOYSA-N 0 0 338.751 2.587 10 5 EFBERN Cc1ccnc(N(C)CCNC(=O)C(C)(C)CC(C)C)c1[N+](=O)[O-] ZINC001689822106 1417082690 /nfs/dbraw/zinc/08/26/90/1417082690.db2.gz HFFKFWKNWSFTRX-UHFFFAOYSA-N 0 0 336.436 2.923 10 5 EFBERN CC(C)c1cc(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC001689822416 1417082964 /nfs/dbraw/zinc/08/29/64/1417082964.db2.gz RYTQLPLSDHBHKC-UHFFFAOYSA-N 0 0 332.360 2.572 10 5 EFBERN Cc1ccc(N(C)CCNC(=O)c2cnoc2C(C)C)c([N+](=O)[O-])c1 ZINC001690213049 1417174273 /nfs/dbraw/zinc/17/42/73/1417174273.db2.gz JQJFFDBLDGGJKD-UHFFFAOYSA-N 0 0 346.387 2.881 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)c2cc(C(C)C)no2)c1 ZINC001690214983 1417175680 /nfs/dbraw/zinc/17/56/80/1417175680.db2.gz OGHJXNMLNVXTKR-UHFFFAOYSA-N 0 0 346.387 2.881 10 5 EFBERN CCOCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@@H]1C ZINC001696412868 1417293852 /nfs/dbraw/zinc/29/38/52/1417293852.db2.gz JEFJFPPEPIVOTC-SWLSCSKDSA-N 0 0 345.403 2.907 10 5 EFBERN CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(C)C ZINC001696426450 1417294501 /nfs/dbraw/zinc/29/45/01/1417294501.db2.gz UDXLFBWXDDPENY-UHFFFAOYSA-N 0 0 347.419 2.982 10 5 EFBERN CCCCCC(=O)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001713280260 1418450071 /nfs/dbraw/zinc/45/00/71/1418450071.db2.gz PXQWXHCRDGORRY-VIKVFOODSA-N 0 0 337.445 2.783 10 5 EFBERN Cc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001713571004 1418557534 /nfs/dbraw/zinc/55/75/34/1418557534.db2.gz HXPSWNPQLHOIAQ-UHFFFAOYSA-N 0 0 331.372 2.666 10 5 EFBERN CCn1cccc1C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001716701228 1418962056 /nfs/dbraw/zinc/96/20/56/1418962056.db2.gz JCPUVODOYORAKN-UHFFFAOYSA-N 0 0 348.428 2.530 10 5 EFBERN CCOC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC000253382039 1422798320 /nfs/dbraw/zinc/79/83/20/1422798320.db2.gz GSYALJWJSGGBKA-LURJTMIESA-N 0 0 336.113 2.827 10 5 EFBERN CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cnco1 ZINC001725730492 1425800888 /nfs/dbraw/zinc/80/08/88/1425800888.db2.gz HAISAYQDPFVFFD-UHFFFAOYSA-N 0 0 346.387 2.565 10 5 EFBERN CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(OC)C1 ZINC001728054863 1426310835 /nfs/dbraw/zinc/31/08/35/1426310835.db2.gz GCTNJGAYADRKMF-UHFFFAOYSA-N 0 0 345.403 2.879 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC(Cc2ccoc2)C1 ZINC000890572908 713040673 /nfs/dbraw/zinc/04/06/73/713040673.db2.gz AAWZOFOOMXBXQJ-DLBZAZTESA-N 0 0 326.352 2.992 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000120312260 713063292 /nfs/dbraw/zinc/06/32/92/713063292.db2.gz MWZOFEGUOACPSH-ZWNOBZJWSA-N 0 0 330.431 2.857 10 5 EFBERN COC(=O)/C=C\c1ccc(NC[C@@H](O)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000254971730 713175110 /nfs/dbraw/zinc/17/51/10/713175110.db2.gz FALJOTYRWSYYFL-WOLRVDTOSA-N 0 0 336.388 2.990 10 5 EFBERN O=C(NC[C@H](CO)c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000164917561 713269664 /nfs/dbraw/zinc/26/96/64/713269664.db2.gz YBZLHLXYLWBSDB-GFCCVEGCSA-N 0 0 334.759 2.754 10 5 EFBERN Cc1cncn1C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804680249 713407587 /nfs/dbraw/zinc/40/75/87/713407587.db2.gz LFAWNFJGUVVYGN-UHFFFAOYSA-N 0 0 331.332 2.849 10 5 EFBERN CCn1ncnc1CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804681338 713408010 /nfs/dbraw/zinc/40/80/10/713408010.db2.gz KQRWTBXUEISCFN-UHFFFAOYSA-N 0 0 340.181 2.889 10 5 EFBERN Cc1ccc(N2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1Br ZINC000804697094 713426885 /nfs/dbraw/zinc/42/68/85/713426885.db2.gz TYNRRTCTZMMGQG-LBPRGKRZSA-N 0 0 333.157 2.576 10 5 EFBERN C[C@]12CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C[C@H]1C2(Cl)Cl ZINC000804706901 713440336 /nfs/dbraw/zinc/44/03/36/713440336.db2.gz VGPBCYMBZFCTLM-YPMHNXCESA-N 0 0 346.214 2.689 10 5 EFBERN O=C(CC(F)(F)F)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000804779009 713467457 /nfs/dbraw/zinc/46/74/57/713467457.db2.gz NMJIHMOECBQTGU-NSHDSACASA-N 0 0 345.321 2.880 10 5 EFBERN COC(=O)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000064844188 713470637 /nfs/dbraw/zinc/47/06/37/713470637.db2.gz MIIQPAGHIMITDD-CQSZACIVSA-N 0 0 348.742 2.892 10 5 EFBERN CC(=O)c1ccc(N2C[C@H](C(F)(F)F)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000804792832 713470707 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CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000919601148 729055495 /nfs/dbraw/zinc/05/54/95/729055495.db2.gz SNFGZAHJKBYDAM-GFCCVEGCSA-N 0 0 340.401 2.737 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CC(CC3CCOCC3)C2)c1[N+](=O)[O-] ZINC000919740480 729076147 /nfs/dbraw/zinc/07/61/47/729076147.db2.gz LWSYVFJJQOUXKM-UHFFFAOYSA-N 0 0 336.363 2.931 10 5 EFBERN CC(C)(C)c1ccnc(SCCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000920088233 729140681 /nfs/dbraw/zinc/14/06/81/729140681.db2.gz DJMNEZUNQDTVJG-UHFFFAOYSA-N 0 0 334.401 2.636 10 5 EFBERN CCOCC(=O)OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000920146809 729150156 /nfs/dbraw/zinc/15/01/56/729150156.db2.gz JWKIJWOHJSROGI-UHFFFAOYSA-N 0 0 337.250 2.572 10 5 EFBERN C[C@@H](NC(=O)C1CCCC1)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000920158951 729151973 /nfs/dbraw/zinc/15/19/73/729151973.db2.gz RIFNRKMUEOKBMO-NEPJUHHUSA-N 0 0 334.372 2.894 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC=CC12CCCC2 ZINC000920163900 729153878 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C[C@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCOc2ccccc21 ZINC001646429384 1087767119 /nfs/dbraw/zinc/76/71/19/1087767119.db2.gz HDEKJYCMXJVXFU-KRWDZBQOSA-N 0 0 345.330 2.744 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2c(C(C)C)nc3ccccn32)c1[N+](=O)[O-] ZINC001646434366 1087768817 /nfs/dbraw/zinc/76/88/17/1087768817.db2.gz DYYNVXKDXGSIHB-UHFFFAOYSA-N 0 0 342.359 2.904 10 5 EFBERN C[C@@H]1NC(=O)[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC001646547435 1087859826 /nfs/dbraw/zinc/85/98/26/1087859826.db2.gz DJXGCEKJAHMUSS-GUBZILKMSA-N 0 0 345.321 2.711 10 5 EFBERN Cc1cc(C(=O)NCCCOc2cccc(F)c2)c(N)c([N+](=O)[O-])c1 ZINC001646606929 1087913931 /nfs/dbraw/zinc/91/39/31/1087913931.db2.gz SZJFGSCEGIUGMB-UHFFFAOYSA-N 0 0 347.346 2.823 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001647214847 1089095626 /nfs/dbraw/zinc/09/56/26/1089095626.db2.gz XMUMJWDZTUFTCI-UHFFFAOYSA-N 0 0 339.351 2.541 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CCO)cc2)c1 ZINC001647215099 1089095919 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347.806 2.749 10 5 EFBERN O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])s1 ZINC001583037977 1091881679 /nfs/dbraw/zinc/88/16/79/1091881679.db2.gz PBRMCCHINUZJQL-RYUDHWBXSA-N 0 0 333.369 2.701 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1cn[nH]c1 ZINC001583087684 1091896871 /nfs/dbraw/zinc/89/68/71/1091896871.db2.gz NVYJDXVLXUCRDW-UHFFFAOYSA-N 0 0 336.351 2.957 10 5 EFBERN O=C(Cc1nc(C2CC2)cs1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001583087777 1091897089 /nfs/dbraw/zinc/89/70/89/1091897089.db2.gz PWINXBJUBIFKTR-UHFFFAOYSA-N 0 0 331.397 2.830 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2noc3cc(F)ccc23)c1 ZINC001583181676 1091922750 /nfs/dbraw/zinc/92/27/50/1091922750.db2.gz LBEZDJVIMGBQIZ-UHFFFAOYSA-N 0 0 345.286 2.814 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccnc(C(F)(F)F)c1 ZINC001583232185 1091938868 /nfs/dbraw/zinc/93/88/68/1091938868.db2.gz ZGYYCXQJWYXWAC-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN C[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1cnccn1 ZINC001583243747 1091941605 /nfs/dbraw/zinc/94/16/05/1091941605.db2.gz DNYSGZPDZYGDRU-SNVBAGLBSA-N 0 0 337.339 2.611 10 5 EFBERN C[C@@H](OC(=O)/C=C\c1ccc(C(N)=O)o1)c1ccccc1[N+](=O)[O-] ZINC001583242924 1091941878 /nfs/dbraw/zinc/94/18/78/1091941878.db2.gz PCVYZLSRBRDYGY-UJICNMFASA-N 0 0 330.296 2.604 10 5 EFBERN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001583302393 1091958093 /nfs/dbraw/zinc/95/80/93/1091958093.db2.gz HFLLRHDNIMKQHH-QJPTWQEYSA-N 0 0 347.415 2.630 10 5 EFBERN CC(C)[C@]1(C)C[C@H]1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001583322004 1091964597 /nfs/dbraw/zinc/96/45/97/1091964597.db2.gz FNERPYUQPOHMCQ-INMHGKMJSA-N 0 0 331.372 2.639 10 5 EFBERN C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001583394919 1091988938 /nfs/dbraw/zinc/98/89/38/1091988938.db2.gz ZAVQCQKCNPPQTA-CHWSQXEVSA-N 0 0 349.431 2.787 10 5 EFBERN C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001583393714 1091989439 /nfs/dbraw/zinc/98/94/39/1091989439.db2.gz HJGFABFVPQEOED-CHWSQXEVSA-N 0 0 349.431 2.787 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](c2nccs2)C1 ZINC001583428193 1091999560 /nfs/dbraw/zinc/99/95/60/1091999560.db2.gz OBVBDPHFJGKFMK-VIFPVBQESA-N 0 0 343.368 2.557 10 5 EFBERN Cc1cc(NC(=O)c2ccc(Cn3ccnn3)cc2)ccc1[N+](=O)[O-] ZINC001583523538 1092026154 /nfs/dbraw/zinc/02/61/54/1092026154.db2.gz MLBDATYNDKGPBX-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1cc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)ccc1[N+](=O)[O-] ZINC001583524769 1092026205 /nfs/dbraw/zinc/02/62/05/1092026205.db2.gz XYUCQSJZZBMYGL-QGZVFWFLSA-N 0 0 331.372 2.538 10 5 EFBERN CCC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC001583563316 1092040352 /nfs/dbraw/zinc/04/03/52/1092040352.db2.gz SICCECTWFOYKIB-UHFFFAOYSA-N 0 0 328.328 2.615 10 5 EFBERN O=C(NCc1nccn1C(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001583590230 1092046835 /nfs/dbraw/zinc/04/68/35/1092046835.db2.gz YGPXUEYKMPXLKT-UHFFFAOYSA-N 0 0 330.678 2.770 10 5 EFBERN COc1cc(C)nc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001583603477 1092047516 /nfs/dbraw/zinc/04/75/16/1092047516.db2.gz GHWNLKAREHLQIV-UHFFFAOYSA-N 0 0 342.355 2.762 10 5 EFBERN O=C(N[C@@H]1CCCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001583632017 1092052427 /nfs/dbraw/zinc/05/24/27/1092052427.db2.gz SYMFNSBAMMDCPP-CQSZACIVSA-N 0 0 341.367 2.956 10 5 EFBERN O=C(Nc1nocc1C1CC1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001583706990 1092060455 /nfs/dbraw/zinc/06/04/55/1092060455.db2.gz FMHLVYJAEWMXKI-UHFFFAOYSA-N 0 0 345.311 2.874 10 5 EFBERN COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001583792762 1092069800 /nfs/dbraw/zinc/06/98/00/1092069800.db2.gz WOUASYZSLMQUFN-RJCSOLBVSA-N 0 0 344.323 2.865 10 5 EFBERN COc1cccnc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001583791423 1092069880 /nfs/dbraw/zinc/06/98/80/1092069880.db2.gz ICYPZCUBJSZRGP-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN CCc1nocc1C(=O)Nc1cc(CC)nc2ccc([N+](=O)[O-])cc21 ZINC001583815282 1092072117 /nfs/dbraw/zinc/07/21/17/1092072117.db2.gz KKRATPUDEDNVPV-UHFFFAOYSA-N 0 0 340.339 2.930 10 5 EFBERN CC[C@H](NC(=O)c1cc(C(=O)OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001583857279 1092078047 /nfs/dbraw/zinc/07/80/47/1092078047.db2.gz UIOCRNJVLDNUSL-AWEZNQCLSA-N 0 0 343.339 2.658 10 5 EFBERN CC[C@H](OC(=O)[C@@]1(C)CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001583949631 1092089187 /nfs/dbraw/zinc/08/91/87/1092089187.db2.gz HWQAPIXUIAOSEP-DZGCQCFKSA-N 0 0 341.385 2.556 10 5 EFBERN COc1cc(C(=O)NCc2cc(F)cnc2Cl)ccc1[N+](=O)[O-] ZINC001583996176 1092094779 /nfs/dbraw/zinc/09/47/79/1092094779.db2.gz XLPFFLRDCPDZAZ-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1csnn1 ZINC001584046223 1092103053 /nfs/dbraw/zinc/10/30/53/1092103053.db2.gz LLVXPSPJHXLONL-QMMMGPOBSA-N 0 0 332.341 2.775 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC001584125494 1092114012 /nfs/dbraw/zinc/11/40/12/1092114012.db2.gz KNWXNAYOECXFQY-UHFFFAOYSA-N 0 0 330.271 2.965 10 5 EFBERN CC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC001584183416 1092123858 /nfs/dbraw/zinc/12/38/58/1092123858.db2.gz GHWRUKMIOIYPJI-KGLIPLIRSA-N 0 0 334.372 2.936 10 5 EFBERN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001584301033 1092140724 /nfs/dbraw/zinc/14/07/24/1092140724.db2.gz BZLSJJODAAGDRN-UHFFFAOYSA-N 0 0 349.368 2.795 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)no1 ZINC001584354409 1092150223 /nfs/dbraw/zinc/15/02/23/1092150223.db2.gz YGAZUMZNQXWEBM-SECBINFHSA-N 0 0 336.735 2.569 10 5 EFBERN Cc1cc([C@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)no1 ZINC001584463881 1092179835 /nfs/dbraw/zinc/17/98/35/1092179835.db2.gz LZNPYRCSULDPCR-JTQLQIEISA-N 0 0 348.311 2.971 10 5 EFBERN COC(=O)c1ccc(OC(=O)[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001584479136 1092181805 /nfs/dbraw/zinc/18/18/05/1092181805.db2.gz BESSGLZSTSTEKL-NSHDSACASA-N 0 0 349.339 2.636 10 5 EFBERN Cc1ccc2ncc(COC(=O)c3nn(C)cc3[N+](=O)[O-])cc2c1 ZINC001584499099 1092184470 /nfs/dbraw/zinc/18/44/70/1092184470.db2.gz LTLZVWCVSWPPNW-UHFFFAOYSA-N 0 0 326.312 2.542 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001648351951 1092206368 /nfs/dbraw/zinc/20/63/68/1092206368.db2.gz PBFQVNKKQOHEQQ-CQSZACIVSA-N 0 0 345.742 2.867 10 5 EFBERN COc1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3N)ccc2n1 ZINC001584585382 1092211431 /nfs/dbraw/zinc/21/14/31/1092211431.db2.gz NEIKXJSHQCOSKE-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN O=C(NCc1ccccc1SC(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC001648515315 1092226653 /nfs/dbraw/zinc/22/66/53/1092226653.db2.gz OACXKECMIIFGQD-UHFFFAOYSA-N 0 0 346.290 2.860 10 5 EFBERN CC1(C)CO[C@H](CC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001648531151 1092230569 /nfs/dbraw/zinc/23/05/69/1092230569.db2.gz OOOKYHZBUJZKKW-GFCCVEGCSA-N 0 0 345.359 2.524 10 5 EFBERN Cc1cc(NC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001584644657 1092231643 /nfs/dbraw/zinc/23/16/43/1092231643.db2.gz NXPYBNUDXSHUGR-JJHQXXDFSA-N 0 0 343.383 2.871 10 5 EFBERN C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001584645576 1092232324 /nfs/dbraw/zinc/23/23/24/1092232324.db2.gz YNJSEVCBCXMOTI-LLVKDONJSA-N 0 0 339.355 2.694 10 5 EFBERN Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1 ZINC001584646664 1092233719 /nfs/dbraw/zinc/23/37/19/1092233719.db2.gz APPYOCFFOZPJKB-UHFFFAOYSA-N 0 0 349.293 2.733 10 5 EFBERN Cn1nnc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC001584666324 1092238973 /nfs/dbraw/zinc/23/89/73/1092238973.db2.gz PFCCVWSAXOLDFL-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CC(=O)c1cc(F)ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001584671850 1092240057 /nfs/dbraw/zinc/24/00/57/1092240057.db2.gz NOLNEYITLFYMFJ-UHFFFAOYSA-N 0 0 334.307 2.507 10 5 EFBERN C[S@@](=O)(=NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccc(F)c1 ZINC001648662297 1092248092 /nfs/dbraw/zinc/24/80/92/1092248092.db2.gz RWGIFUDYWQJNPH-QHCPKHFHSA-N 0 0 337.332 2.613 10 5 EFBERN Nc1c(C(=O)NCc2ccc3cccnc3c2)cc(F)cc1[N+](=O)[O-] ZINC001648721943 1092260814 /nfs/dbraw/zinc/26/08/14/1092260814.db2.gz LNDAAFVDSSELEO-UHFFFAOYSA-N 0 0 340.314 2.794 10 5 EFBERN C[C@H]1OCC[C@]1(C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001584721598 1092261518 /nfs/dbraw/zinc/26/15/18/1092261518.db2.gz DOKQODRMKZQELU-QGHHPUGFSA-N 0 0 329.356 2.628 10 5 EFBERN CC(C)(C)OC(=O)CCCCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001584782997 1092284146 /nfs/dbraw/zinc/28/41/46/1092284146.db2.gz FTMZQYJJNXAUIF-UHFFFAOYSA-N 0 0 330.425 2.840 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn2nccc2n1 ZINC001584808099 1092291921 /nfs/dbraw/zinc/29/19/21/1092291921.db2.gz ZWWBUKCTFDKDKY-SNVBAGLBSA-N 0 0 343.368 2.757 10 5 EFBERN CC(C)(C)c1ccc(C(=O)Nc2cnc(C(N)=O)s2)cc1[N+](=O)[O-] ZINC001584830039 1092298631 /nfs/dbraw/zinc/29/86/31/1092298631.db2.gz DQIGIHCDNQEDCI-UHFFFAOYSA-N 0 0 348.384 2.700 10 5 EFBERN Cc1nn(C)c(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1Cl ZINC001584841087 1092303026 /nfs/dbraw/zinc/30/30/26/1092303026.db2.gz JDRWOWAJGAEKDN-UHFFFAOYSA-N 0 0 326.715 2.990 10 5 EFBERN O=C(Nc1cccc(-c2ncc[nH]2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001584874563 1092316329 /nfs/dbraw/zinc/31/63/29/1092316329.db2.gz UPLGNQCWEITYDS-OAHLLOKOSA-N 0 0 338.323 2.657 10 5 EFBERN NC(=O)c1cc(NCc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC001649285931 1092320563 /nfs/dbraw/zinc/32/05/63/1092320563.db2.gz YITOLHHRAIIOQU-UHFFFAOYSA-N 0 0 337.282 2.907 10 5 EFBERN CCNC(=O)Oc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001584969552 1092340847 /nfs/dbraw/zinc/34/08/47/1092340847.db2.gz PZWUKZPFWCTABA-UHFFFAOYSA-N 0 0 330.296 2.922 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)OCc1ccccc1 ZINC001585002670 1092350532 /nfs/dbraw/zinc/35/05/32/1092350532.db2.gz DHRXMEZZHGXRBJ-JTQLQIEISA-N 0 0 334.353 2.518 10 5 EFBERN Cc1cccc(C(=O)N[C@@H]2CCc3ccccc3NC2=O)c1[N+](=O)[O-] ZINC001585059204 1092359456 /nfs/dbraw/zinc/35/94/56/1092359456.db2.gz WKOMZVXPJFWPSM-OAHLLOKOSA-N 0 0 339.351 2.587 10 5 EFBERN COc1cc(C(=O)Nc2nccnc2C2CC2)c([N+](=O)[O-])cc1F ZINC001585099052 1092368172 /nfs/dbraw/zinc/36/81/72/1092368172.db2.gz LIUORZDNUOYUKG-UHFFFAOYSA-N 0 0 332.291 2.662 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CCC[C@H]2c2ncccn2)cc1[N+](=O)[O-] ZINC001585120350 1092377552 /nfs/dbraw/zinc/37/75/52/1092377552.db2.gz PUWZMOLQMPPFIT-NSHDSACASA-N 0 0 347.762 2.598 10 5 EFBERN CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cccnc1 ZINC001585163337 1092388711 /nfs/dbraw/zinc/38/87/11/1092388711.db2.gz HWOLLSUOOMJGNP-UHFFFAOYSA-N 0 0 338.323 2.580 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)c(O)c2ccccc12 ZINC001585192979 1092397816 /nfs/dbraw/zinc/39/78/16/1092397816.db2.gz GTQLYWWMDOKMAA-UHFFFAOYSA-N 0 0 346.730 2.942 10 5 EFBERN Cc1ccc(C(C)(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001585244119 1092418954 /nfs/dbraw/zinc/41/89/54/1092418954.db2.gz OIDARLAOVQFLFZ-UHFFFAOYSA-N 0 0 341.367 2.918 10 5 EFBERN Cc1nc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C)n2)[nH]c1C ZINC001649369181 1092443807 /nfs/dbraw/zinc/44/38/07/1092443807.db2.gz DXKQZVXVXBMFLC-CQSZACIVSA-N 0 0 329.360 2.615 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001649386232 1092446484 /nfs/dbraw/zinc/44/64/84/1092446484.db2.gz APENYLZTKRDCCM-YIYPIFLZSA-N 0 0 340.383 2.802 10 5 EFBERN COc1ccc(C)cc1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001649431226 1092449247 /nfs/dbraw/zinc/44/92/47/1092449247.db2.gz BPTHFTUKGVSXBM-UHFFFAOYSA-N 0 0 329.356 2.665 10 5 EFBERN CNc1c(C(=O)NCc2cccc(OC)c2C)cccc1[N+](=O)[O-] ZINC001585331456 1092450821 /nfs/dbraw/zinc/45/08/21/1092450821.db2.gz VUHJBLCMIVTNDI-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN COc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1C ZINC001585330567 1092451232 /nfs/dbraw/zinc/45/12/32/1092451232.db2.gz NYYHQBKJRAFDAX-UHFFFAOYSA-N 0 0 333.319 2.563 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ccc(O)cc2C1 ZINC001585473369 1092496026 /nfs/dbraw/zinc/49/60/26/1092496026.db2.gz GZSFVKGOJUACCZ-UHFFFAOYSA-N 0 0 348.742 2.989 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC001585523573 1092510692 /nfs/dbraw/zinc/51/06/92/1092510692.db2.gz XYIIWDWVZNYIOW-UHFFFAOYSA-N 0 0 328.328 2.533 10 5 EFBERN Cc1c(NC(=O)c2ccn(C)n2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001585660587 1092538527 /nfs/dbraw/zinc/53/85/27/1092538527.db2.gz QPKQUTAICLVKRM-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN CC1(C)OCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001167517108 1092561994 /nfs/dbraw/zinc/56/19/94/1092561994.db2.gz FBIAZNNGTNOFKW-SSDOTTSWSA-N 0 0 345.758 2.514 10 5 EFBERN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nc[nH]n2)cc1[N+](=O)[O-] ZINC001167527154 1092574007 /nfs/dbraw/zinc/57/40/07/1092574007.db2.gz KZKQMALGFCXKST-ZDUSSCGKSA-N 0 0 329.360 2.814 10 5 EFBERN C[C@@H](Oc1cccnc1)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585837903 1092592388 /nfs/dbraw/zinc/59/23/88/1092592388.db2.gz PAQMWBAQIHHFJF-LLVKDONJSA-N 0 0 338.323 2.944 10 5 EFBERN Cc1nn(C)c(C)c1CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585842620 1092593747 /nfs/dbraw/zinc/59/37/47/1092593747.db2.gz ZUPITAKGMBYGMH-UHFFFAOYSA-N 0 0 339.355 2.675 10 5 EFBERN COCc1nocc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585842149 1092593903 /nfs/dbraw/zinc/59/39/03/1092593903.db2.gz SMYPYIRILDTINJ-UHFFFAOYSA-N 0 0 328.284 2.530 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn([C@H]2CCCCO2)c1 ZINC001585852332 1092597521 /nfs/dbraw/zinc/59/75/21/1092597521.db2.gz ZIKFYIPCPCHOFA-OAHLLOKOSA-N 0 0 345.359 2.784 10 5 EFBERN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001585943246 1092626183 /nfs/dbraw/zinc/62/61/83/1092626183.db2.gz RHXFEPGSJKSTCU-HNNXBMFYSA-N 0 0 340.383 2.728 10 5 EFBERN COc1c(F)nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001585972419 1092636437 /nfs/dbraw/zinc/63/64/37/1092636437.db2.gz VJPIRBVPOSKABY-UHFFFAOYSA-N 0 0 337.332 2.868 10 5 EFBERN CN(C(=O)c1ccc(OCC(F)(F)F)o1)c1ccc([N+](=O)[O-])nc1 ZINC001585981349 1092641621 /nfs/dbraw/zinc/64/16/21/1092641621.db2.gz IQKZKNDSRCDLFA-UHFFFAOYSA-N 0 0 345.233 2.801 10 5 EFBERN Cn1c2ccccc2cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1=O ZINC001167549709 1092648716 /nfs/dbraw/zinc/64/87/16/1092648716.db2.gz PQNNQCSDPVAKHN-UHFFFAOYSA-N 0 0 335.363 2.963 10 5 EFBERN COc1ccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC001586037352 1092662887 /nfs/dbraw/zinc/66/28/87/1092662887.db2.gz WRHQJLFRIOKMTQ-UHFFFAOYSA-N 0 0 336.231 2.870 10 5 EFBERN COCc1csc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001586037619 1092663453 /nfs/dbraw/zinc/66/34/53/1092663453.db2.gz ZVWHUQHPTGMTCJ-UHFFFAOYSA-N 0 0 338.297 2.930 10 5 EFBERN CSc1ccc(C(=O)NOCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC001586069286 1092671722 /nfs/dbraw/zinc/67/17/22/1092671722.db2.gz FXKGNXFEEDMSRS-UHFFFAOYSA-N 0 0 333.369 2.882 10 5 EFBERN Cc1nc2ccccn2c1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001586080283 1092675302 /nfs/dbraw/zinc/67/53/02/1092675302.db2.gz NNYGUIPCLHNBTI-UHFFFAOYSA-N 0 0 346.293 2.759 10 5 EFBERN CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1C ZINC001586084778 1092677192 /nfs/dbraw/zinc/67/71/92/1092677192.db2.gz NVQAHQKQXCRHHK-UHFFFAOYSA-N 0 0 349.368 2.976 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC001586088381 1092677282 /nfs/dbraw/zinc/67/72/82/1092677282.db2.gz HSLYWOKICYSDSJ-UHFFFAOYSA-N 0 0 328.324 2.768 10 5 EFBERN Nc1ncc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1[N+](=O)[O-] ZINC001586127665 1092686943 /nfs/dbraw/zinc/68/69/43/1092686943.db2.gz FOOSNMVSQCMOET-UHFFFAOYSA-N 0 0 344.346 2.764 10 5 EFBERN Nc1ncc(C(=O)N2CCSC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001586208141 1092709732 /nfs/dbraw/zinc/70/97/32/1092709732.db2.gz DKNLFRPQPPUPAM-CQSZACIVSA-N 0 0 344.396 2.502 10 5 EFBERN Cc1c(C(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)cccc1[N+](=O)[O-] ZINC001586283932 1092718602 /nfs/dbraw/zinc/71/86/02/1092718602.db2.gz UUWOPHQWYSNXNE-UHFFFAOYSA-N 0 0 342.355 2.596 10 5 EFBERN COc1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[nH]n1 ZINC001586411824 1092732687 /nfs/dbraw/zinc/73/26/87/1092732687.db2.gz IUOQHAJJHYMPFD-UHFFFAOYSA-N 0 0 330.222 2.598 10 5 EFBERN O=C(c1ccc(O)cn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001586419916 1092733379 /nfs/dbraw/zinc/73/33/79/1092733379.db2.gz CGOVBCVZWMTVKH-HNNXBMFYSA-N 0 0 331.353 2.583 10 5 EFBERN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(OC)c1 ZINC001586436750 1092734843 /nfs/dbraw/zinc/73/48/43/1092734843.db2.gz ONXOYLMQJOUOTO-LLVKDONJSA-N 0 0 345.355 2.806 10 5 EFBERN O=C(NCc1ccnc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC001586467399 1092737299 /nfs/dbraw/zinc/73/72/99/1092737299.db2.gz NGUNFWZJGNMWGL-UHFFFAOYSA-N 0 0 336.145 2.682 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(F)cc1NC(C)C ZINC001586538880 1092742529 /nfs/dbraw/zinc/74/25/29/1092742529.db2.gz SDRLKZMZQDVDJG-UHFFFAOYSA-N 0 0 335.339 2.698 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nccc(SC)n1 ZINC001586646212 1092748205 /nfs/dbraw/zinc/74/82/05/1092748205.db2.gz AQZRBWNWVSVFNU-UHFFFAOYSA-N 0 0 334.357 2.758 10 5 EFBERN COC(=O)c1cc(NC(=O)CCc2cc(C)on2)c(C)c([N+](=O)[O-])c1 ZINC001586736449 1092755288 /nfs/dbraw/zinc/75/52/88/1092755288.db2.gz VHSBZNADLWPJDX-UHFFFAOYSA-N 0 0 347.327 2.558 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnc1C ZINC001586738992 1092755557 /nfs/dbraw/zinc/75/55/57/1092755557.db2.gz IUIKWQSWIPXSBF-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN COc1ccc(F)c(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC001586780391 1092758252 /nfs/dbraw/zinc/75/82/52/1092758252.db2.gz DWTJHBWMGVVNDR-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC001586765857 1092758368 /nfs/dbraw/zinc/75/83/68/1092758368.db2.gz BOBONBAWIQNIDG-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN COc1ccc(F)c(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001586780317 1092758516 /nfs/dbraw/zinc/75/85/16/1092758516.db2.gz ARLNLDSHOHUEKX-UHFFFAOYSA-N 0 0 332.331 2.992 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)Cc1ccc2ccccc2c1 ZINC001586787582 1092759265 /nfs/dbraw/zinc/75/92/65/1092759265.db2.gz HWVQBSDXNFWULO-UHFFFAOYSA-N 0 0 338.367 2.912 10 5 EFBERN Cn1nc(C(F)(F)F)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001586795826 1092759721 /nfs/dbraw/zinc/75/97/21/1092759721.db2.gz NDTHEIVFTXHXNF-UHFFFAOYSA-N 0 0 332.213 2.739 10 5 EFBERN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCO[C@H](CC)C1 ZINC001586877455 1092764317 /nfs/dbraw/zinc/76/43/17/1092764317.db2.gz ARQKXEIOIYPUHV-UKRRQHHQSA-N 0 0 335.404 2.731 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001586883118 1092764557 /nfs/dbraw/zinc/76/45/57/1092764557.db2.gz HNRCJGQXOUVWGI-INIZCTEOSA-N 0 0 339.395 2.560 10 5 EFBERN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCO[C@@H](CC)C1 ZINC001586877453 1092764810 /nfs/dbraw/zinc/76/48/10/1092764810.db2.gz ARQKXEIOIYPUHV-DZGCQCFKSA-N 0 0 335.404 2.731 10 5 EFBERN CC[C@@H](O)CCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001586894753 1092767625 /nfs/dbraw/zinc/76/76/25/1092767625.db2.gz POGVXERBWHYZKY-GFCCVEGCSA-N 0 0 331.372 2.611 10 5 EFBERN COc1cccc(OC)c1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001586922629 1092770366 /nfs/dbraw/zinc/77/03/66/1092770366.db2.gz KDFVEICFWKJZPI-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN COc1c(F)nccc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001586999810 1092774672 /nfs/dbraw/zinc/77/46/72/1092774672.db2.gz XCBDNFZGTQMASS-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN C/C(=C\C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnccn1 ZINC001586995569 1092775208 /nfs/dbraw/zinc/77/52/08/1092775208.db2.gz WAPIHQNXHNSEHU-DHZHZOJOSA-N 0 0 335.323 2.975 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001587015854 1092776542 /nfs/dbraw/zinc/77/65/42/1092776542.db2.gz KBCLXEVHCNDBAB-ZDUSSCGKSA-N 0 0 345.742 2.541 10 5 EFBERN Cc1cccc(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001587061865 1092779152 /nfs/dbraw/zinc/77/91/52/1092779152.db2.gz NVZSJYPBDNWYAM-UHFFFAOYSA-N 0 0 326.352 2.787 10 5 EFBERN O=C(NCc1cccc2c1OC(F)(F)O2)c1ccccc1[N+](=O)[O-] ZINC001587066256 1092779239 /nfs/dbraw/zinc/77/92/39/1092779239.db2.gz ADIOQCLTISCJCP-UHFFFAOYSA-N 0 0 336.250 2.846 10 5 EFBERN Cc1ccc(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001587124677 1092784527 /nfs/dbraw/zinc/78/45/27/1092784527.db2.gz YAKXHUQDDDVBTE-UHFFFAOYSA-N 0 0 342.355 2.972 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1Cc2cc(F)ccc2O1 ZINC001587144912 1092786044 /nfs/dbraw/zinc/78/60/44/1092786044.db2.gz YHNMECLHBIZFCQ-CQSZACIVSA-N 0 0 348.242 2.551 10 5 EFBERN C[C@H]1c2ccccc2CN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001587163353 1092788498 /nfs/dbraw/zinc/78/84/98/1092788498.db2.gz ZEBDUUGUKJBKOY-LBPRGKRZSA-N 0 0 349.350 2.893 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC(Cc2c(F)cccc2F)C1 ZINC001587172106 1092789706 /nfs/dbraw/zinc/78/97/06/1092789706.db2.gz ZKOGXLCAHMYYGT-UHFFFAOYSA-N 0 0 347.321 2.770 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)OCc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC001587199862 1092791017 /nfs/dbraw/zinc/79/10/17/1092791017.db2.gz NRWPOFMXDJYCRL-LLVKDONJSA-N 0 0 328.324 2.979 10 5 EFBERN CC1(C)OC[C@H](/C=C\C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC001587259690 1092796323 /nfs/dbraw/zinc/79/63/23/1092796323.db2.gz CVZLORGRJUNRHO-SNGWPZLWSA-N 0 0 348.399 2.741 10 5 EFBERN CCNc1ccc(C(=O)Nc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC001587294874 1092799568 /nfs/dbraw/zinc/79/95/68/1092799568.db2.gz QWZXYMSNCIMZFU-UHFFFAOYSA-N 0 0 325.328 2.927 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2nc(F)ccc21 ZINC001587343393 1092802738 /nfs/dbraw/zinc/80/27/38/1092802738.db2.gz CCOLVPSYQCQFSC-UHFFFAOYSA-N 0 0 338.298 2.880 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)/C=C/c1ccccc1C(F)(F)F ZINC001587347824 1092805146 /nfs/dbraw/zinc/80/51/46/1092805146.db2.gz CCXJMGNCZNMGMM-VOTSOKGWSA-N 0 0 340.261 2.999 10 5 EFBERN O=C(Cn1cccn1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001587411949 1092811310 /nfs/dbraw/zinc/81/13/10/1092811310.db2.gz MDIHAXQKWJQZHC-LBPRGKRZSA-N 0 0 329.234 2.638 10 5 EFBERN O=C(Cn1cccn1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001587411948 1092811420 /nfs/dbraw/zinc/81/14/20/1092811420.db2.gz MDIHAXQKWJQZHC-GFCCVEGCSA-N 0 0 329.234 2.638 10 5 EFBERN O=C(NCCc1nc2ccccc2[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC001587447564 1092812916 /nfs/dbraw/zinc/81/29/16/1092812916.db2.gz IWTOGNDNXPHWAL-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN COc1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(N)c1F ZINC001587560259 1092822538 /nfs/dbraw/zinc/82/25/38/1092822538.db2.gz WKHQETCQDYYGRE-UHFFFAOYSA-N 0 0 333.319 2.563 10 5 EFBERN CCNc1ccc(C(=O)Nc2cnc(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC001587564870 1092822883 /nfs/dbraw/zinc/82/28/83/1092822883.db2.gz ZSYNECYEPIRIFT-UHFFFAOYSA-N 0 0 346.343 2.691 10 5 EFBERN CC[C@H](C[C@@H](C)O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001587731755 1092845072 /nfs/dbraw/zinc/84/50/72/1092845072.db2.gz OXFBORARTHHFIT-ZYHUDNBSSA-N 0 0 349.412 2.998 10 5 EFBERN CC[C@H](C[C@H](C)O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001587731752 1092845257 /nfs/dbraw/zinc/84/52/57/1092845257.db2.gz OXFBORARTHHFIT-CMPLNLGQSA-N 0 0 349.412 2.998 10 5 EFBERN CC(C)c1coc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC001587739986 1092846487 /nfs/dbraw/zinc/84/64/87/1092846487.db2.gz AYROXOAFJUUHQB-AWEZNQCLSA-N 0 0 344.327 2.838 10 5 EFBERN Cc1noc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cn2)n1 ZINC001587737400 1092846805 /nfs/dbraw/zinc/84/68/05/1092846805.db2.gz ZPXVUXDCNHXXIM-UHFFFAOYSA-N 0 0 331.313 2.662 10 5 EFBERN COc1cc(C(=O)Nc2cc(SC)ncn2)c([N+](=O)[O-])cc1F ZINC001587747174 1092849018 /nfs/dbraw/zinc/84/90/18/1092849018.db2.gz OSBJOBVPMCMXOC-UHFFFAOYSA-N 0 0 338.320 2.507 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1cnc(Cl)cn1 ZINC001587795951 1092853306 /nfs/dbraw/zinc/85/33/06/1092853306.db2.gz QFQPCDLJGSQBNU-UHFFFAOYSA-N 0 0 329.703 2.839 10 5 EFBERN COc1ccc([C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC001587809844 1092855241 /nfs/dbraw/zinc/85/52/41/1092855241.db2.gz LMBVQXCKGNRGFF-OAHLLOKOSA-N 0 0 344.371 2.708 10 5 EFBERN CSc1ccc(C(=O)Nc2cc(C)cc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC001587854836 1092860483 /nfs/dbraw/zinc/86/04/83/1092860483.db2.gz HWRBYAAAISDJBS-UHFFFAOYSA-N 0 0 345.380 2.976 10 5 EFBERN COC(=O)c1cnc(Cl)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC001587925119 1092870703 /nfs/dbraw/zinc/87/07/03/1092870703.db2.gz XMKIDXFNLFVMMO-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001587945779 1092871954 /nfs/dbraw/zinc/87/19/54/1092871954.db2.gz LAXRPVCNRWAULV-UHFFFAOYSA-N 0 0 345.286 2.774 10 5 EFBERN CC(C)(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H](O)C(F)(F)F ZINC001587970172 1092876611 /nfs/dbraw/zinc/87/66/11/1092876611.db2.gz SDQZBQGGTPQHJP-GFCCVEGCSA-N 0 0 345.277 2.508 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOC3(C2)CCCCCC3)n1 ZINC001587995635 1092881053 /nfs/dbraw/zinc/88/10/53/1092881053.db2.gz CCSBQSBFAXLYAB-UHFFFAOYSA-N 0 0 333.388 2.864 10 5 EFBERN COc1c(F)cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(N)c1F ZINC001588044217 1092885761 /nfs/dbraw/zinc/88/57/61/1092885761.db2.gz MUZJMQQSPSMQJV-UHFFFAOYSA-N 0 0 349.293 2.667 10 5 EFBERN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001588109070 1092893339 /nfs/dbraw/zinc/89/33/39/1092893339.db2.gz HFNMXCZTZYNDTI-UHFFFAOYSA-N 0 0 343.265 2.655 10 5 EFBERN COc1cc(=O)[nH]cc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001588199646 1092901779 /nfs/dbraw/zinc/90/17/79/1092901779.db2.gz QAROVKBLYFHBJT-UHFFFAOYSA-N 0 0 343.339 2.509 10 5 EFBERN CC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC001267147024 1092907350 /nfs/dbraw/zinc/90/73/50/1092907350.db2.gz CASGUPJMBMGSTF-CABCVRRESA-N 0 0 325.324 2.935 10 5 EFBERN C/C(=C\C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001670751423 1092977822 /nfs/dbraw/zinc/97/78/22/1092977822.db2.gz QPCFFTYKGDCKEW-IZZDOVSWSA-N 0 0 335.429 2.751 10 5 EFBERN Cc1sccc1CC(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001480921415 1093023071 /nfs/dbraw/zinc/02/30/71/1093023071.db2.gz MUECXRVGXFAZCQ-UHFFFAOYSA-N 0 0 347.440 2.755 10 5 EFBERN CN(CCNC(=O)CC(C)(C)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267194845 1093153615 /nfs/dbraw/zinc/15/36/15/1093153615.db2.gz FEAYZNCAMXNMDR-UHFFFAOYSA-N 0 0 333.432 2.969 10 5 EFBERN COc1ccc(C[C@@H]2CC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001167635573 1093168867 /nfs/dbraw/zinc/16/88/67/1093168867.db2.gz NDLLNUSIZKKDHB-QFBILLFUSA-N 0 0 342.395 2.954 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000843615333 1093199685 /nfs/dbraw/zinc/19/96/85/1093199685.db2.gz GSZKZMDDGAKXEX-RUMSDORHSA-N 0 0 345.399 2.514 10 5 EFBERN CCN(CCNC(=O)C(C)(C)C(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001267251793 1093372464 /nfs/dbraw/zinc/37/24/64/1093372464.db2.gz QPEAJROXMHUQAL-UHFFFAOYSA-N 0 0 349.403 2.886 10 5 EFBERN CN(Cc1cccc(C(N)=O)c1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001650667266 1093479693 /nfs/dbraw/zinc/47/96/93/1093479693.db2.gz ZNLDNQGYTOFYIQ-UHFFFAOYSA-N 0 0 336.351 2.878 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Nc2cnn(Cc3cccnc3)c2)cc1F ZINC001650715964 1093486089 /nfs/dbraw/zinc/48/60/89/1093486089.db2.gz HEPCENIBNBYNEU-UHFFFAOYSA-N 0 0 343.318 2.610 10 5 EFBERN CNS(=O)(=O)c1cccc([C@@H](C)Nc2ccsc2[N+](=O)[O-])c1 ZINC001650723403 1093486714 /nfs/dbraw/zinc/48/67/14/1093486714.db2.gz TWNAQINADGMXQO-SECBINFHSA-N 0 0 341.414 2.738 10 5 EFBERN COc1ccc(CNC(=O)c2cncc(F)c2Cl)cc1[N+](=O)[O-] ZINC001650730766 1093488350 /nfs/dbraw/zinc/48/83/50/1093488350.db2.gz BEGSFTMWTPZMOD-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN C[C@@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])CC1(C)OCCO1 ZINC001650779248 1093494304 /nfs/dbraw/zinc/49/43/04/1093494304.db2.gz ITFYHCCZHXUBRN-LLVKDONJSA-N 0 0 349.362 2.905 10 5 EFBERN CN(Cc1ncccn1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001650860738 1093501472 /nfs/dbraw/zinc/50/14/72/1093501472.db2.gz HJGDOMHPFQKCEJ-UHFFFAOYSA-N 0 0 344.374 2.744 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)c1[N+](=O)[O-] ZINC001299803347 1093508061 /nfs/dbraw/zinc/50/80/61/1093508061.db2.gz YQNOAGUVLVUAKS-NSHDSACASA-N 0 0 340.343 2.684 10 5 EFBERN Nc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)cc1[N+](=O)[O-] ZINC001650922822 1093510132 /nfs/dbraw/zinc/51/01/32/1093510132.db2.gz GUVCMNWZBQKGFU-CJNGLKHVSA-N 0 0 329.331 2.932 10 5 EFBERN Cn1c(=O)ccc2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])cc21 ZINC001651012345 1093518744 /nfs/dbraw/zinc/51/87/44/1093518744.db2.gz DZMBMTXBJBTYEL-UHFFFAOYSA-N 0 0 330.731 2.661 10 5 EFBERN COc1ccc(C(=O)NCc2cc(O)ccc2Cl)cc1[N+](=O)[O-] ZINC001651046965 1093521348 /nfs/dbraw/zinc/52/13/48/1093521348.db2.gz KLHBFRXIQDSCIB-UHFFFAOYSA-N 0 0 336.731 2.892 10 5 EFBERN Cc1nnc([C@@H](C)Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])[nH]1 ZINC001651044946 1093521385 /nfs/dbraw/zinc/52/13/85/1093521385.db2.gz DWBHHXNPZYRWTO-SSDOTTSWSA-N 0 0 332.751 2.818 10 5 EFBERN CC[C@@](C)(CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])OC ZINC001651081738 1093523214 /nfs/dbraw/zinc/52/32/14/1093523214.db2.gz IVEYBIFLFBNBEF-HNNXBMFYSA-N 0 0 334.332 2.700 10 5 EFBERN C[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC12CCCCC2 ZINC001651079559 1093523288 /nfs/dbraw/zinc/52/32/88/1093523288.db2.gz NWDCMSSFNGIXFB-UHFFFAOYSA-N 0 0 329.404 2.697 10 5 EFBERN CCC[C@H](C)CCNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC001651097103 1093526551 /nfs/dbraw/zinc/52/65/51/1093526551.db2.gz DHMJIZTVCYVCNS-WCQYABFASA-N 0 0 339.440 2.770 10 5 EFBERN CCC[C@@H](C)CCNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC001651097104 1093526626 /nfs/dbraw/zinc/52/66/26/1093526626.db2.gz DHMJIZTVCYVCNS-YPMHNXCESA-N 0 0 339.440 2.770 10 5 EFBERN O=c1[nH]c(CNc2ncnc3ccc([N+](=O)[O-])cc32)nc2ccccc21 ZINC001651118606 1093529038 /nfs/dbraw/zinc/52/90/38/1093529038.db2.gz UHHNCITWVJQSLE-UHFFFAOYSA-N 0 0 348.322 2.799 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCN(c2ccccc2F)C1 ZINC001651116457 1093529079 /nfs/dbraw/zinc/52/90/79/1093529079.db2.gz OYGOOAFZXLGGCW-SNVBAGLBSA-N 0 0 336.754 2.895 10 5 EFBERN Cn1nc2c(c1N)CN(c1c3cccc(Cl)c3ncc1[N+](=O)[O-])C2 ZINC001651129077 1093529345 /nfs/dbraw/zinc/52/93/45/1093529345.db2.gz UOKHJVONVIHRON-UHFFFAOYSA-N 0 0 344.762 2.632 10 5 EFBERN COc1cccc2c1OCCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001651127055 1093530247 /nfs/dbraw/zinc/53/02/47/1093530247.db2.gz QXVKFGOEELACIO-NSHDSACASA-N 0 0 331.328 2.575 10 5 EFBERN CCNS(=O)(=O)c1cccc(CNc2ccccc2[N+](=O)[O-])c1 ZINC001651134130 1093530798 /nfs/dbraw/zinc/53/07/98/1093530798.db2.gz YHVHUNWVKKEEKY-UHFFFAOYSA-N 0 0 335.385 2.505 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nc(C(F)F)no1 ZINC001651164005 1093533720 /nfs/dbraw/zinc/53/37/20/1093533720.db2.gz ZXHMDWDTFOJXNZ-UHFFFAOYSA-N 0 0 342.258 2.623 10 5 EFBERN CCOc1cccc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000785170395 1093534012 /nfs/dbraw/zinc/53/40/12/1093534012.db2.gz ARLGRNZQEAPLLV-UHFFFAOYSA-N 0 0 346.339 2.901 10 5 EFBERN C[C@@H](Cc1ccccn1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001651187228 1093536226 /nfs/dbraw/zinc/53/62/26/1093536226.db2.gz PRFZKXRSPFTMRW-LBPRGKRZSA-N 0 0 338.367 2.885 10 5 EFBERN O=[N+]([O-])c1cnccc1N1CCc2nccc(Br)c2C1 ZINC001651177268 1093536326 /nfs/dbraw/zinc/53/63/26/1093536326.db2.gz OVDBBWPRCNMKPW-UHFFFAOYSA-N 0 0 335.161 2.710 10 5 EFBERN COc1nscc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001651230355 1093542121 /nfs/dbraw/zinc/54/21/21/1093542121.db2.gz CHIXHXBIIUAIIW-UHFFFAOYSA-N 0 0 334.357 2.887 10 5 EFBERN CCOc1ccc(CCNc2nn(C)cc2[N+](=O)[O-])cc1OCC ZINC001651282785 1093549721 /nfs/dbraw/zinc/54/97/21/1093549721.db2.gz DXXRNWUYMIQJRU-UHFFFAOYSA-N 0 0 334.376 2.780 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC ZINC000843617921 1093626144 /nfs/dbraw/zinc/62/61/44/1093626144.db2.gz HSJBYHRLFIKNPR-BXKDBHETSA-N 0 0 342.779 2.956 10 5 EFBERN Cc1cc(C(=O)N2CCc3cc(Cl)nnc3C2)ccc1[N+](=O)[O-] ZINC000843619126 1094351173 /nfs/dbraw/zinc/35/11/73/1094351173.db2.gz HOOTXDRKGBYURU-UHFFFAOYSA-N 0 0 332.747 2.545 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OC ZINC000843619588 1094385688 /nfs/dbraw/zinc/38/56/88/1094385688.db2.gz OJXLYMGESUQDSD-ZANVPECISA-N 0 0 342.779 2.956 10 5 EFBERN CC[C@H](C)C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000843619648 1094389238 /nfs/dbraw/zinc/38/92/38/1094389238.db2.gz PFDDMCFZRIVJIV-GRLPFUAJSA-N 0 0 334.372 2.702 10 5 EFBERN C[C@@H]1C[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)[C@H](C)O1 ZINC001593694328 1094408249 /nfs/dbraw/zinc/40/82/49/1094408249.db2.gz QNEWFVCSJQMHCJ-NRUUGDAUSA-N 0 0 330.344 2.737 10 5 EFBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nccnc1Cl ZINC001593693391 1094408420 /nfs/dbraw/zinc/40/84/20/1094408420.db2.gz LVJALDDKCLXMRH-UHFFFAOYSA-N 0 0 344.718 2.681 10 5 EFBERN Nc1c(C(=O)N2CCCC[C@@H]2CCO)cc2ccccc2c1[N+](=O)[O-] ZINC001594213232 1094422041 /nfs/dbraw/zinc/42/20/41/1094422041.db2.gz XROWTQSYCJZPAR-CYBMUJFWSA-N 0 0 343.383 2.707 10 5 EFBERN O=[N+]([O-])c1cccc(CN2CCO[C@@H](C3CC3)C2)c1Br ZINC000694925191 1094425084 /nfs/dbraw/zinc/42/50/84/1094425084.db2.gz RCNJJGDLQACQGV-CYBMUJFWSA-N 0 0 341.205 2.968 10 5 EFBERN CCC1(CC)CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001594614148 1094431890 /nfs/dbraw/zinc/43/18/90/1094431890.db2.gz VWRJVFANIGIGOL-UHFFFAOYSA-N 0 0 348.403 2.898 10 5 EFBERN O=C(NCc1cc(C2CC2)no1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001595216611 1094456627 /nfs/dbraw/zinc/45/66/27/1094456627.db2.gz WCDVDANMTCKXBD-UHFFFAOYSA-N 0 0 326.312 2.872 10 5 EFBERN C[C@H]1CSc2ccccc2N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001143458778 1094465025 /nfs/dbraw/zinc/46/50/25/1094465025.db2.gz LLOADVYZFMZGFL-SNVBAGLBSA-N 0 0 344.396 2.961 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(-c2ncco2)c1C ZINC001595534993 1094475622 /nfs/dbraw/zinc/47/56/22/1094475622.db2.gz RAZBMSQPLCPVAP-UHFFFAOYSA-N 0 0 341.327 2.702 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCO)cc1 ZINC001595574468 1094478892 /nfs/dbraw/zinc/47/88/92/1094478892.db2.gz XSJDNJBRKGLSAG-UHFFFAOYSA-N 0 0 348.380 2.940 10 5 EFBERN CN(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001595574485 1094478970 /nfs/dbraw/zinc/47/89/70/1094478970.db2.gz HUGPHSSUNFBBRA-UHFFFAOYSA-N 0 0 331.303 2.688 10 5 EFBERN COc1cc(COC(=O)[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])cc1F ZINC000785245589 1094480290 /nfs/dbraw/zinc/48/02/90/1094480290.db2.gz BXPSBZPKZNQKLJ-LBPRGKRZSA-N 0 0 327.308 2.743 10 5 EFBERN O=C(NCc1ccn2ccnc2c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001595724960 1094488762 /nfs/dbraw/zinc/48/87/62/1094488762.db2.gz NDNLTCUWPBQZIO-UHFFFAOYSA-N 0 0 348.721 2.965 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccnc(F)c1 ZINC001595765138 1094491013 /nfs/dbraw/zinc/49/10/13/1094491013.db2.gz RENZDNSJEVLXRD-UHFFFAOYSA-N 0 0 341.701 2.780 10 5 EFBERN Cc1c(C(=O)N[C@@H](C)CC2CCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001595779663 1094492609 /nfs/dbraw/zinc/49/26/09/1094492609.db2.gz QNYSALIGPUFHGI-NSHDSACASA-N 0 0 343.387 2.792 10 5 EFBERN O=C(CCn1ccc2cc(Cl)ccc21)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001595864191 1094499433 /nfs/dbraw/zinc/49/94/33/1094499433.db2.gz MKHXOZGFANTNQQ-UHFFFAOYSA-N 0 0 333.735 2.955 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1ccccc1CO ZINC001595893998 1094502562 /nfs/dbraw/zinc/50/25/62/1094502562.db2.gz VMWVPULWUSQWTQ-UHFFFAOYSA-N 0 0 348.786 2.990 10 5 EFBERN O=C(NCc1ccsc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001595927452 1094504683 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EFBERN Cc1cc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)ccc1[N+](=O)[O-] ZINC001596277608 1094522900 /nfs/dbraw/zinc/52/29/00/1094522900.db2.gz DXEZVASWNQPYQK-UHFFFAOYSA-N 0 0 341.323 2.511 10 5 EFBERN CN(CCc1nccs1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001596369884 1094528479 /nfs/dbraw/zinc/52/84/79/1094528479.db2.gz GXKJGJRLVQAOBA-UHFFFAOYSA-N 0 0 340.792 2.602 10 5 EFBERN CC1(C)CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)OC1 ZINC001596544393 1094536241 /nfs/dbraw/zinc/53/62/41/1094536241.db2.gz RTPJOGDAFJIWQA-OAHLLOKOSA-N 0 0 345.399 2.871 10 5 EFBERN Cn1cnc(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC001596635255 1094538784 /nfs/dbraw/zinc/53/87/84/1094538784.db2.gz VTGMUBNXPWHSBO-UHFFFAOYSA-N 0 0 343.170 2.608 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2C(F)(F)C1 ZINC001596664221 1094541024 /nfs/dbraw/zinc/54/10/24/1094541024.db2.gz DMICTFMCLULUPM-UHFFFAOYSA-N 0 0 333.294 2.925 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](c2ncon2)C1 ZINC001596840998 1094549283 /nfs/dbraw/zinc/54/92/83/1094549283.db2.gz FEEQTBDAFPKUAC-JTQLQIEISA-N 0 0 342.311 2.744 10 5 EFBERN C[C@H](COCC1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001596890226 1094550881 /nfs/dbraw/zinc/55/08/81/1094550881.db2.gz XRGAMXJSFMFGHQ-GFCCVEGCSA-N 0 0 335.404 2.892 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001596899810 1094551452 /nfs/dbraw/zinc/55/14/52/1094551452.db2.gz DXVRHOBUMDNUNV-CYBMUJFWSA-N 0 0 330.319 2.688 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001596899811 1094551566 /nfs/dbraw/zinc/55/15/66/1094551566.db2.gz DXVRHOBUMDNUNV-ZDUSSCGKSA-N 0 0 330.319 2.688 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2noc3c2CC(C)(C)CC3)n1 ZINC001596895442 1094551641 /nfs/dbraw/zinc/55/16/41/1094551641.db2.gz UYKMULKQUWPSHM-UHFFFAOYSA-N 0 0 344.371 2.731 10 5 EFBERN CC(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC001596931521 1094553074 /nfs/dbraw/zinc/55/30/74/1094553074.db2.gz TZOCIKLHFDKPES-UHFFFAOYSA-N 0 0 349.416 2.982 10 5 EFBERN COc1ccc(CNC(=O)[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001596970378 1094556831 /nfs/dbraw/zinc/55/68/31/1094556831.db2.gz MMUSAQONFRUUCP-LLVKDONJSA-N 0 0 330.340 2.729 10 5 EFBERN O=C(c1ncnc2[nH]ccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001596973476 1094557012 /nfs/dbraw/zinc/55/70/12/1094557012.db2.gz FQTKMLDNTSHEOH-UHFFFAOYSA-N 0 0 337.339 2.623 10 5 EFBERN Cn1c(=O)c2ccccc2n1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001597083070 1094564910 /nfs/dbraw/zinc/56/49/10/1094564910.db2.gz IIQQUVYDPKSKTE-UHFFFAOYSA-N 0 0 339.351 2.866 10 5 EFBERN CN1Cc2c(cccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC001597248936 1094574259 /nfs/dbraw/zinc/57/42/59/1094574259.db2.gz PFEMHBJRHBJVMY-JXMROGBWSA-N 0 0 337.335 2.832 10 5 EFBERN Cn1cc(C(F)F)c(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001597255990 1094574263 /nfs/dbraw/zinc/57/42/63/1094574263.db2.gz MKPISQUKCGETKH-UHFFFAOYSA-N 0 0 344.705 2.849 10 5 EFBERN O=C(Nc1ccccc1-c1cn[nH]c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001597266146 1094576019 /nfs/dbraw/zinc/57/60/19/1094576019.db2.gz QXPQADTWOHISJO-INIZCTEOSA-N 0 0 338.323 2.657 10 5 EFBERN CCC(CC)N1C[C@H](C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC001597271610 1094576299 /nfs/dbraw/zinc/57/62/99/1094576299.db2.gz GZRNOKQWYSZLGK-CQSZACIVSA-N 0 0 347.415 2.557 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(SC)ccc1O ZINC001597364536 1094583683 /nfs/dbraw/zinc/58/36/83/1094583683.db2.gz LVMCIJXLPHAOIO-UHFFFAOYSA-N 0 0 348.380 2.961 10 5 EFBERN C[C@H](C(=O)NCC(=O)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001597449345 1094587901 /nfs/dbraw/zinc/58/79/01/1094587901.db2.gz BGYWDOUEMIRARR-JTQLQIEISA-N 0 0 348.305 2.976 10 5 EFBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843682777 1094590208 /nfs/dbraw/zinc/59/02/08/1094590208.db2.gz OFCULCREEWWDBA-LLVKDONJSA-N 0 0 342.779 2.956 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccn(CCF)n2)cc1Cl ZINC001597475984 1094590404 /nfs/dbraw/zinc/59/04/04/1094590404.db2.gz MPQSOQOGAKWBII-UHFFFAOYSA-N 0 0 326.715 2.975 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](c2ncccn2)C1 ZINC001597501489 1094592424 /nfs/dbraw/zinc/59/24/24/1094592424.db2.gz FUQLUPNBYAWVDX-NSHDSACASA-N 0 0 338.323 2.761 10 5 EFBERN O=C(Nc1cncc(C(F)F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001597637279 1094608490 /nfs/dbraw/zinc/60/84/90/1094608490.db2.gz PRLYIOOGFCEEBM-UHFFFAOYSA-N 0 0 337.238 2.908 10 5 EFBERN COCc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC ZINC001597649362 1094609439 /nfs/dbraw/zinc/60/94/39/1094609439.db2.gz JKTDNTITTLXUAS-UHFFFAOYSA-N 0 0 330.340 2.931 10 5 EFBERN CN(C)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC001597658706 1094610827 /nfs/dbraw/zinc/61/08/27/1094610827.db2.gz QTWFYBCXMHBGPP-UHFFFAOYSA-N 0 0 333.319 2.817 10 5 EFBERN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001597655121 1094612006 /nfs/dbraw/zinc/61/20/06/1094612006.db2.gz AVYNGTAQVABLFV-ZUZCIYMTSA-N 0 0 326.356 2.625 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC001597720243 1094617300 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COc1cc([N+](=O)[O-])cnc1NC(=O)c1coc(Br)c1 ZINC001597919406 1094640238 /nfs/dbraw/zinc/64/02/38/1094640238.db2.gz JYSRJUHPWQTOAN-UHFFFAOYSA-N 0 0 342.105 2.606 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@@H]1OCc2ccccc21 ZINC001597919820 1094640306 /nfs/dbraw/zinc/64/03/06/1094640306.db2.gz OOSLRXJFOBOAQO-ZDUSSCGKSA-N 0 0 329.312 2.599 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CC[C@H]1CC1(Cl)Cl ZINC001597920553 1094640315 /nfs/dbraw/zinc/64/03/15/1094640315.db2.gz YFFPVZJDAPWSMX-ZETCQYMHSA-N 0 0 334.159 2.911 10 5 EFBERN CN(C[C@H]1CCCC[C@@H]1O)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001597931706 1094642001 /nfs/dbraw/zinc/64/20/01/1094642001.db2.gz BLIWLZCBOGTIAC-DOMZBBRYSA-N 0 0 340.807 2.800 10 5 EFBERN C[C@@H](OC(=O)c1nnn(C)c1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC001597935635 1094642613 /nfs/dbraw/zinc/64/26/13/1094642613.db2.gz JXKHAOSJGJJLLU-SSDOTTSWSA-N 0 0 344.249 2.660 10 5 EFBERN CN(CCc1ccc(Cl)cc1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001598024163 1094648296 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Nc1nc(SCc2cc3c(c(Cl)c2)OCO3)ncc1[N+](=O)[O-] ZINC001307345238 1094988815 /nfs/dbraw/zinc/98/88/15/1094988815.db2.gz IYYQWFOGJJWPLP-UHFFFAOYSA-N 0 0 340.748 2.641 10 5 EFBERN Cc1sc(C(=O)N2CCc3cc(Cl)nnc3C2)cc1[N+](=O)[O-] ZINC000843625216 1095064725 /nfs/dbraw/zinc/06/47/25/1095064725.db2.gz YMRQUTVXZMRTCF-UHFFFAOYSA-N 0 0 338.776 2.607 10 5 EFBERN COc1ccc(C(=O)N=[S@@](C)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001626290174 1095102200 /nfs/dbraw/zinc/10/22/00/1095102200.db2.gz VSUQJNICPZZYHE-QHCPKHFHSA-N 0 0 334.353 2.901 10 5 EFBERN Cc1cocc1C(=O)NCCN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001481181344 1095156307 /nfs/dbraw/zinc/15/63/07/1095156307.db2.gz UAPQMKHBTLUMMF-UHFFFAOYSA-N 0 0 349.412 2.952 10 5 EFBERN C[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC001625915471 1095185924 /nfs/dbraw/zinc/18/59/24/1095185924.db2.gz NZPBBRKRKGIQBZ-QFYYESIMSA-N 0 0 330.315 2.915 10 5 EFBERN CCCN1Cc2cccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)c2C1 ZINC001143528118 1095191409 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/nfs/dbraw/zinc/08/27/90/1099082790.db2.gz NJRRRDQERSVCAJ-YWFMTQBDSA-N 0 0 335.360 2.536 10 5 EFBERN COc1cc(Br)cc(CNc2nn(C)cc2[N+](=O)[O-])c1 ZINC001612879511 1099082863 /nfs/dbraw/zinc/08/28/63/1099082863.db2.gz DBHRYUAXLKOXTM-UHFFFAOYSA-N 0 0 341.165 2.712 10 5 EFBERN Cc1cc(NCc2csc(-c3ccn(C)n3)n2)ncc1[N+](=O)[O-] ZINC001612903990 1099082938 /nfs/dbraw/zinc/08/29/38/1099082938.db2.gz ZSDQVVNDDSRSGA-UHFFFAOYSA-N 0 0 330.373 2.767 10 5 EFBERN CNC(=O)c1ccc(Oc2ccc(C=O)c(F)c2F)c([N+](=O)[O-])c1 ZINC001612894370 1099083066 /nfs/dbraw/zinc/08/30/66/1099083066.db2.gz QFDOGKUGBJQQEH-UHFFFAOYSA-N 0 0 336.250 2.837 10 5 EFBERN COc1cc(NCCc2nnc3ccccn32)c(Cl)cc1[N+](=O)[O-] ZINC001612929407 1099083754 /nfs/dbraw/zinc/08/37/54/1099083754.db2.gz ADQWVOWCDYERDJ-UHFFFAOYSA-N 0 0 347.762 2.954 10 5 EFBERN O=[N+]([O-])c1c(NCCc2c(F)cc(O)cc2F)nc2ccccn21 ZINC001612966693 1099086099 /nfs/dbraw/zinc/08/60/99/1099086099.db2.gz IFBSSTQTHPNSPB-UHFFFAOYSA-N 0 0 334.282 2.881 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](c2cnn(C)c2)C(C)C)c1[N+](=O)[O-] ZINC001613019627 1099086861 /nfs/dbraw/zinc/08/68/61/1099086861.db2.gz WDTMKWFQAHQRAY-CYBMUJFWSA-N 0 0 347.375 2.709 10 5 EFBERN Cc1noc(Cc2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)n1 ZINC001613004607 1099087050 /nfs/dbraw/zinc/08/70/50/1099087050.db2.gz JKRGMSQXGMECNE-UHFFFAOYSA-N 0 0 327.300 2.721 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001613023372 1099087481 /nfs/dbraw/zinc/08/74/81/1099087481.db2.gz YEOBOYLFVIUKEC-UWVGGRQHSA-N 0 0 344.184 2.590 10 5 EFBERN CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)[C@@H]2C[C@@H]21 ZINC001613019607 1099088161 /nfs/dbraw/zinc/08/81/61/1099088161.db2.gz VRDYAMNOGUEKIH-KGLIPLIRSA-N 0 0 337.351 2.932 10 5 EFBERN Cc1ccc(C)c(C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)c1 ZINC001613036177 1099088776 /nfs/dbraw/zinc/08/87/76/1099088776.db2.gz CSYFCDGYWSYIMY-UHFFFAOYSA-N 0 0 327.388 2.968 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ncc([N+](=O)[O-])cn3)CCC[C@H]12 ZINC001613063234 1099088977 /nfs/dbraw/zinc/08/89/77/1099088977.db2.gz NSSJXHJJJADLOA-LRDDRELGSA-N 0 0 349.391 2.729 10 5 EFBERN COC(=O)c1cnc(NCCCOc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001613042640 1099089366 /nfs/dbraw/zinc/08/93/66/1099089366.db2.gz XYCRVBIPPGOHCN-UHFFFAOYSA-N 0 0 349.318 2.797 10 5 EFBERN Cc1nn(C)c(C)c1[C@H](O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001613066379 1099089462 /nfs/dbraw/zinc/08/94/62/1099089462.db2.gz QXWMQYTXETUKBK-GFCCVEGCSA-N 0 0 347.400 2.700 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CN2CCC1CC2 ZINC001613060058 1099089826 /nfs/dbraw/zinc/08/98/26/1099089826.db2.gz DRVARDJGIMKCIC-ZDUSSCGKSA-N 0 0 339.779 2.541 10 5 EFBERN O=C1NC2(CCCCCCC2)C(=O)N1Cc1cccnc1[N+](=O)[O-] ZINC001613104464 1099090269 /nfs/dbraw/zinc/09/02/69/1099090269.db2.gz HJZUDLJIIHYKOX-UHFFFAOYSA-N 0 0 332.360 2.525 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001613088397 1099090330 /nfs/dbraw/zinc/09/03/30/1099090330.db2.gz USJSDCWJIKCXGA-XXILOJSOSA-N 0 0 326.736 2.767 10 5 EFBERN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1sccc1Cl ZINC001613128703 1099092733 /nfs/dbraw/zinc/09/27/33/1099092733.db2.gz AIJNCVHMQTYYPQ-UHFFFAOYSA-N 0 0 349.755 2.903 10 5 EFBERN O=[N+]([O-])c1cnn(Cc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001613467431 1099099486 /nfs/dbraw/zinc/09/94/86/1099099486.db2.gz ZNZMXWIYVCCJLN-UHFFFAOYSA-N 0 0 327.094 2.510 10 5 EFBERN O=[N+]([O-])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC001613452728 1099100041 /nfs/dbraw/zinc/10/00/41/1099100041.db2.gz UOEWCJACJYFRAO-UHFFFAOYSA-N 0 0 327.094 2.510 10 5 EFBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1CF ZINC001613515123 1099101049 /nfs/dbraw/zinc/10/10/49/1099101049.db2.gz NCJXONSICDIIPO-UHFFFAOYSA-N 0 0 329.287 2.929 10 5 EFBERN CCN(C(=O)Cn1nc(C)c2cc([N+](=O)[O-])cnc21)c1ccccc1 ZINC001613578243 1099102976 /nfs/dbraw/zinc/10/29/76/1099102976.db2.gz PNTJBSVHHGASND-UHFFFAOYSA-N 0 0 339.355 2.701 10 5 EFBERN Cc1nn(Cc2nc(-c3cccs3)n[nH]2)c2ncc([N+](=O)[O-])cc12 ZINC001613581604 1099103046 /nfs/dbraw/zinc/10/30/46/1099103046.db2.gz RRZQDDSGURAHBH-UHFFFAOYSA-N 0 0 341.356 2.543 10 5 EFBERN Cc1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)nc1Cl ZINC001613641803 1099104167 /nfs/dbraw/zinc/10/41/67/1099104167.db2.gz JVUFBJQNEVNFBN-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN O=[N+]([O-])c1ncccc1CS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001613745088 1099105849 /nfs/dbraw/zinc/10/58/49/1099105849.db2.gz AECVQECODDPRIR-UHFFFAOYSA-N 0 0 346.286 2.983 10 5 EFBERN COc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2F)c1 ZINC001613801024 1099107029 /nfs/dbraw/zinc/10/70/29/1099107029.db2.gz JAQXQCUTXVWTMA-UHFFFAOYSA-N 0 0 338.266 2.899 10 5 EFBERN COc1ccc(CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)cc1 ZINC001613761108 1099107033 /nfs/dbraw/zinc/10/70/33/1099107033.db2.gz PTGUZRKHCKQANM-UHFFFAOYSA-N 0 0 341.323 2.663 10 5 EFBERN CCOc1ccccc1Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC001613771292 1099107162 /nfs/dbraw/zinc/10/71/62/1099107162.db2.gz KHVGPGBSRBKDSR-UHFFFAOYSA-N 0 0 331.353 2.813 10 5 EFBERN O=C(COc1ccsc1[N+](=O)[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC001613792313 1099107365 /nfs/dbraw/zinc/10/73/65/1099107365.db2.gz GPLJGDRGSMUZKM-UHFFFAOYSA-N 0 0 349.324 2.533 10 5 EFBERN O=C1N=NC(c2ccccn2)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001613766585 1099107714 /nfs/dbraw/zinc/10/77/14/1099107714.db2.gz AOYWECLSXOVOCC-UHFFFAOYSA-N 0 0 331.719 2.656 10 5 EFBERN CCc1ccc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)nc1 ZINC001613821355 1099109174 /nfs/dbraw/zinc/10/91/74/1099109174.db2.gz LGWWMRXRVFWQJG-UHFFFAOYSA-N 0 0 327.319 2.998 10 5 EFBERN Cc1cccc2c1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)S2(=O)=O ZINC001614787904 1099144807 /nfs/dbraw/zinc/14/48/07/1099144807.db2.gz YTYDWBFAHULCKJ-UHFFFAOYSA-N 0 0 347.352 2.640 10 5 EFBERN CCn1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc21 ZINC001626219130 1099147152 /nfs/dbraw/zinc/14/71/52/1099147152.db2.gz KUINNTARODOGQQ-UHFFFAOYSA-N 0 0 325.328 2.799 10 5 EFBERN Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])c(=O)s1 ZINC001615005526 1099148542 /nfs/dbraw/zinc/14/85/42/1099148542.db2.gz IHSIIHZNCYOMTE-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN COc1cc(Cl)ccc1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001615022744 1099148577 /nfs/dbraw/zinc/14/85/77/1099148577.db2.gz BJRPEIITZQDDKK-UHFFFAOYSA-N 0 0 345.746 2.959 10 5 EFBERN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl)c1ccns1 ZINC001615005336 1099149009 /nfs/dbraw/zinc/14/90/09/1099149009.db2.gz AQRQDXXUGFXHRM-UHFFFAOYSA-N 0 0 349.759 2.846 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1O ZINC001616217049 1099170320 /nfs/dbraw/zinc/17/03/20/1099170320.db2.gz FCADUBVOLHAQDJ-UHFFFAOYSA-N 0 0 344.323 2.956 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCOc2c(F)cc(F)cc21 ZINC001616238070 1099171040 /nfs/dbraw/zinc/17/10/40/1099171040.db2.gz RIRDBNRUIVUJSL-UHFFFAOYSA-N 0 0 334.278 2.841 10 5 EFBERN C[C@H](NC(=O)c1cccc2c1oc(=O)n2C)c1ccc([N+](=O)[O-])cc1 ZINC001616300862 1099174042 /nfs/dbraw/zinc/17/40/42/1099174042.db2.gz KQSYYUYCBOTWLD-JTQLQIEISA-N 0 0 341.323 2.531 10 5 EFBERN O=Cc1ccc(/C=C\C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001616324068 1099175089 /nfs/dbraw/zinc/17/50/89/1099175089.db2.gz YPADVJDMIBJJJU-YHYXMXQVSA-N 0 0 340.335 2.616 10 5 EFBERN COC(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001616320718 1099175259 /nfs/dbraw/zinc/17/52/59/1099175259.db2.gz SZNIBEDDSKBDIM-UHFFFAOYSA-N 0 0 349.730 2.611 10 5 EFBERN Cc1ccc(F)c(N)c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001616347497 1099176825 /nfs/dbraw/zinc/17/68/25/1099176825.db2.gz RVEKWDHXIVSLCO-UHFFFAOYSA-N 0 0 345.330 2.528 10 5 EFBERN CSc1ccnc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC001616517375 1099182380 /nfs/dbraw/zinc/18/23/80/1099182380.db2.gz IYCFOQNXAPDFLK-UHFFFAOYSA-N 0 0 340.311 2.837 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)n1 ZINC001616501508 1099182435 /nfs/dbraw/zinc/18/24/35/1099182435.db2.gz OYABCZPANJVHGI-DTWKUNHWSA-N 0 0 336.373 2.668 10 5 EFBERN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001616533398 1099184147 /nfs/dbraw/zinc/18/41/47/1099184147.db2.gz QMXHLNIHTANVOH-YDHLFZDLSA-N 0 0 340.383 2.947 10 5 EFBERN C[C@@H](C(=O)NCc1ccc2nonc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001616822911 1099196239 /nfs/dbraw/zinc/19/62/39/1099196239.db2.gz NOYMMIFIIGGTSP-SECBINFHSA-N 0 0 344.302 2.690 10 5 EFBERN C[S@](=O)(=NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001616893469 1099200885 /nfs/dbraw/zinc/20/08/85/1099200885.db2.gz MGSRKCFJJXZZAJ-XMMPIXPASA-N 0 0 344.352 2.768 10 5 EFBERN COc1ccc2c(c1)C[C@H](CN1CCc3c1cccc3[N+](=O)[O-])O2 ZINC001616914474 1099202064 /nfs/dbraw/zinc/20/20/64/1099202064.db2.gz IPKZPTICBFDHKH-CQSZACIVSA-N 0 0 326.352 2.970 10 5 EFBERN COc1cccc(OC)c1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001616969735 1099205136 /nfs/dbraw/zinc/20/51/36/1099205136.db2.gz ACRZAXIHEXXWSI-UHFFFAOYSA-N 0 0 348.330 2.610 10 5 EFBERN CN(C)c1ccc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)cn1 ZINC001617090959 1099211447 /nfs/dbraw/zinc/21/14/47/1099211447.db2.gz AEEONPDECZJIMB-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1nnc2ccccc2n1 ZINC001617091775 1099212385 /nfs/dbraw/zinc/21/23/85/1099212385.db2.gz OUSOZVSKEUIHIL-UHFFFAOYSA-N 0 0 346.306 2.734 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCc2ncncc2C1 ZINC001617097153 1099212931 /nfs/dbraw/zinc/21/29/31/1099212931.db2.gz HCINDOOLLOPYQX-NSHDSACASA-N 0 0 349.350 2.677 10 5 EFBERN CCN(CC)C(=O)CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001617098093 1099212964 /nfs/dbraw/zinc/21/29/64/1099212964.db2.gz QAOJYTWEZAIQRN-UHFFFAOYSA-N 0 0 344.371 2.730 10 5 EFBERN Cc1nc2ccnn2cc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001617091788 1099212990 /nfs/dbraw/zinc/21/29/90/1099212990.db2.gz PIHILGGWWATIDP-UHFFFAOYSA-N 0 0 348.322 2.746 10 5 EFBERN CC(=O)c1cncc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c1 ZINC001617091747 1099213037 /nfs/dbraw/zinc/21/30/37/1099213037.db2.gz NVNXAKIVEVZHFU-UHFFFAOYSA-N 0 0 336.307 2.993 10 5 EFBERN CO[C@@H]1COCC[C@H]1CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001617098241 1099213148 /nfs/dbraw/zinc/21/31/48/1099213148.db2.gz UXDADWQUULTBNS-XHDPSFHLSA-N 0 0 345.355 2.523 10 5 EFBERN CCc1nccc(C)c1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001617113106 1099214123 /nfs/dbraw/zinc/21/41/23/1099214123.db2.gz ZEUKFIPYJIUZSD-UHFFFAOYSA-N 0 0 329.312 2.842 10 5 EFBERN Cc1c(C(=O)N=[S@@](C)(=O)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001617126746 1099215134 /nfs/dbraw/zinc/21/51/34/1099215134.db2.gz LKBCSDBMKXSLRC-QHCPKHFHSA-N 0 0 343.361 2.766 10 5 EFBERN CCOC(=O)c1cn(CC)nc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001617232746 1099227484 /nfs/dbraw/zinc/22/74/84/1099227484.db2.gz SBWBNUVPBJIRQE-UHFFFAOYSA-N 0 0 346.343 2.549 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC1CCC1)[C@H](C)CO ZINC001617256456 1099228537 /nfs/dbraw/zinc/22/85/37/1099228537.db2.gz UVOYBBRIJZTTJQ-GFCCVEGCSA-N 0 0 336.388 2.617 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@]12CCO[C@@H]1CCCC2 ZINC001617309466 1099231232 /nfs/dbraw/zinc/23/12/32/1099231232.db2.gz ISZCUMNTFWAUSV-HIFRSBDPSA-N 0 0 336.300 2.758 10 5 EFBERN O=C(Nc1ccc2c(c1)CCNC2=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001617328929 1099232166 /nfs/dbraw/zinc/23/21/66/1099232166.db2.gz BEBUQTMYOFGVPI-UHFFFAOYSA-N 0 0 345.742 2.786 10 5 EFBERN CC(C)CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1=O ZINC001617421919 1099237821 /nfs/dbraw/zinc/23/78/21/1099237821.db2.gz XVVHBPGUBQGJOV-LBPRGKRZSA-N 0 0 339.823 2.937 10 5 EFBERN Cc1cc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc([N+](=O)[O-])c1 ZINC001617445590 1099239235 /nfs/dbraw/zinc/23/92/35/1099239235.db2.gz KXHHGHSJYGZLAC-UHFFFAOYSA-N 0 0 330.344 2.587 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnc2ccnn2c1 ZINC001617569507 1099245885 /nfs/dbraw/zinc/24/58/85/1099245885.db2.gz DFJKODZTBCTQDV-UHFFFAOYSA-N 0 0 325.328 2.815 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(C[S@](C)=O)c2C)n1 ZINC001617571756 1099247837 /nfs/dbraw/zinc/24/78/37/1099247837.db2.gz MLWCFPLPGHVBOI-DEOSSOPVSA-N 0 0 347.396 2.737 10 5 EFBERN C[C@H](OC1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001617644105 1099250233 /nfs/dbraw/zinc/25/02/33/1099250233.db2.gz ADDRDYYNBHPYHS-NSHDSACASA-N 0 0 349.387 2.760 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1-c1nccs1 ZINC001617684956 1099253158 /nfs/dbraw/zinc/25/31/58/1099253158.db2.gz IYHSLHKOLMBKJJ-UHFFFAOYSA-N 0 0 343.368 2.862 10 5 EFBERN CCOC(=O)c1cn(C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001617706454 1099254424 /nfs/dbraw/zinc/25/44/24/1099254424.db2.gz CIMGESYATNSWKU-UHFFFAOYSA-N 0 0 345.355 2.600 10 5 EFBERN CSc1cccc(C(=O)NC2(c3ccccc3)COC2)c1[N+](=O)[O-] ZINC001617791666 1099260073 /nfs/dbraw/zinc/26/00/73/1099260073.db2.gz SMQQKKAAKSVKEU-UHFFFAOYSA-N 0 0 344.392 2.972 10 5 EFBERN CSc1ccc(C(=O)NC2(c3ccccc3)COC2)cc1[N+](=O)[O-] ZINC001617790851 1099260678 /nfs/dbraw/zinc/26/06/78/1099260678.db2.gz IMVVJCRYGXSBMB-UHFFFAOYSA-N 0 0 344.392 2.972 10 5 EFBERN Cc1nnc(-c2cccc(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)c2)o1 ZINC001617840789 1099261419 /nfs/dbraw/zinc/26/14/19/1099261419.db2.gz FICLTNCEVUZFGM-UHFFFAOYSA-N 0 0 348.706 2.582 10 5 EFBERN O=C(Nc1cn(-c2ccccc2)nn1)c1c(F)cccc1[N+](=O)[O-] ZINC001617829551 1099261851 /nfs/dbraw/zinc/26/18/51/1099261851.db2.gz NUEUSTDEVRGWOW-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN CC(C)(C)CC[C@H](CO)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001617837550 1099261908 /nfs/dbraw/zinc/26/19/08/1099261908.db2.gz IBAOOHADBYGGDF-CYBMUJFWSA-N 0 0 326.368 2.580 10 5 EFBERN CCOc1ncccc1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001617894673 1099266556 /nfs/dbraw/zinc/26/65/56/1099266556.db2.gz HGERUZKQERUXRK-LBPRGKRZSA-N 0 0 329.356 2.922 10 5 EFBERN CCCC1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001617926410 1099267313 /nfs/dbraw/zinc/26/73/13/1099267313.db2.gz ZEKYYJCKMFTSHG-UHFFFAOYSA-N 0 0 343.387 2.828 10 5 EFBERN Cn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(-c2ccco2)n1 ZINC001618146810 1099280052 /nfs/dbraw/zinc/28/00/52/1099280052.db2.gz HNJLTTLREOFIFW-UHFFFAOYSA-N 0 0 326.312 2.770 10 5 EFBERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001618139089 1099280058 /nfs/dbraw/zinc/28/00/58/1099280058.db2.gz BPGYNISXKQWYCO-PRULPYPASA-N 0 0 328.372 2.770 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001618127517 1099280843 /nfs/dbraw/zinc/28/08/43/1099280843.db2.gz WKEAOZLWZNJXNA-CQSZACIVSA-N 0 0 343.339 2.597 10 5 EFBERN O=C(c1cnn2ncccc12)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001618279151 1099288956 /nfs/dbraw/zinc/28/89/56/1099288956.db2.gz HLMVZIPASVOQBY-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN CC(C)(C)n1cnc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n1 ZINC001618306463 1099289862 /nfs/dbraw/zinc/28/98/62/1099289862.db2.gz BCTXFIWHMPCSCP-UHFFFAOYSA-N 0 0 340.343 2.742 10 5 EFBERN COc1ccc(OC(C)C)c(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC001126028116 1099291190 /nfs/dbraw/zinc/29/11/90/1099291190.db2.gz BXYZXMPPHCNNRN-UHFFFAOYSA-N 0 0 348.359 2.534 10 5 EFBERN COc1ccc2c(c1)[nH]nc2NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001618373236 1099294247 /nfs/dbraw/zinc/29/42/47/1099294247.db2.gz OJFAZAAYRHUWKR-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN COC(=O)[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC001618386923 1099294429 /nfs/dbraw/zinc/29/44/29/1099294429.db2.gz DPMUNKYLQAIZHY-INIZCTEOSA-N 0 0 348.330 2.746 10 5 EFBERN CC/C(C)=C(/C)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001618453703 1099299238 /nfs/dbraw/zinc/29/92/38/1099299238.db2.gz GICPLBCETRBFGJ-QXMHVHEDSA-N 0 0 343.387 2.813 10 5 EFBERN COc1ccccc1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001618503367 1099302458 /nfs/dbraw/zinc/30/24/58/1099302458.db2.gz HJYWXXKXVBNEID-LBPRGKRZSA-N 0 0 341.367 2.815 10 5 EFBERN O=C(Nc1ccc(Br)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001618511456 1099302618 /nfs/dbraw/zinc/30/26/18/1099302618.db2.gz QTADCPOHBIOQLE-UHFFFAOYSA-N 0 0 345.540 2.986 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])C(F)(F)C1(O)CCCCC1 ZINC001618550992 1099303062 /nfs/dbraw/zinc/30/30/62/1099303062.db2.gz UELHTRBPABXOJO-UHFFFAOYSA-N 0 0 342.342 2.584 10 5 EFBERN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1csnn1 ZINC001618620058 1099307571 /nfs/dbraw/zinc/30/75/71/1099307571.db2.gz QQARZPFLMAJJTM-SECBINFHSA-N 0 0 331.357 2.952 10 5 EFBERN COc1cc(C(=O)Nc2ncc3c(n2)CC[C@@H](C)C3)ccc1[N+](=O)[O-] ZINC001618628365 1099307929 /nfs/dbraw/zinc/30/79/29/1099307929.db2.gz VSBSZBNKFNIERZ-SNVBAGLBSA-N 0 0 342.355 2.771 10 5 EFBERN Cc1cccnc1[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001618653214 1099310022 /nfs/dbraw/zinc/31/00/22/1099310022.db2.gz XVTAPFAJMQMMCU-INIZCTEOSA-N 0 0 345.403 2.788 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn2cc(C)nc2c1 ZINC001618669062 1099312331 /nfs/dbraw/zinc/31/23/31/1099312331.db2.gz CRPULVBXDVHKGN-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN Nc1cccnc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001618698957 1099312493 /nfs/dbraw/zinc/31/24/93/1099312493.db2.gz RKSSHULNRGUAIM-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN COC(=O)c1cc(C(=O)N[C@@H](C)c2cccs2)cc([N+](=O)[O-])c1 ZINC000017842152 1099337753 /nfs/dbraw/zinc/33/77/53/1099337753.db2.gz GDXWRGXQTCOGDF-VIFPVBQESA-N 0 0 334.353 2.934 10 5 EFBERN CC(C)[C@@H]1C[C@H](COC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000781876598 1099345778 /nfs/dbraw/zinc/34/57/78/1099345778.db2.gz BTVHGUUHDXSSTC-CJNGLKHVSA-N 0 0 337.372 2.968 10 5 EFBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1Cc2ccc(O)cc2C1 ZINC001620435110 1099354637 /nfs/dbraw/zinc/35/46/37/1099354637.db2.gz OGBSGVZCTKIXAT-NSHDSACASA-N 0 0 327.340 2.643 10 5 EFBERN CCOC(=O)[C@H](Cc1ccccc1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC001620478045 1099356767 /nfs/dbraw/zinc/35/67/67/1099356767.db2.gz DNZPDIBBDZKWFQ-INIZCTEOSA-N 0 0 346.358 2.998 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(Cc2ccno2)CC1 ZINC001620536493 1099357881 /nfs/dbraw/zinc/35/78/81/1099357881.db2.gz WRDLPGDVSLVGHN-AWEZNQCLSA-N 0 0 330.388 2.770 10 5 EFBERN O=C1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccccc2)CN1 ZINC001620606259 1099362670 /nfs/dbraw/zinc/36/26/70/1099362670.db2.gz MUVGUOLEJOEUCN-MRXNPFEDSA-N 0 0 345.786 2.921 10 5 EFBERN Cn1cc([C@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nn1 ZINC001620661597 1099367599 /nfs/dbraw/zinc/36/75/99/1099367599.db2.gz HVOYSZUQXKDAKB-LBPRGKRZSA-N 0 0 335.795 2.756 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CO)c1cc(F)ccc1F ZINC001620669332 1099367841 /nfs/dbraw/zinc/36/78/41/1099367841.db2.gz PJOAUISBTHAVTN-CQSZACIVSA-N 0 0 326.274 2.835 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@@H]1CCCO1 ZINC001620669119 1099368654 /nfs/dbraw/zinc/36/86/54/1099368654.db2.gz MEMDWNCMLJXKCT-IRXDYDNUSA-N 0 0 347.415 2.875 10 5 EFBERN COc1ccc([C@H](C)NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001621252455 1099398240 /nfs/dbraw/zinc/39/82/40/1099398240.db2.gz QDARFGOAOUVIDP-MGPLVRAMSA-N 0 0 348.330 2.653 10 5 EFBERN COc1ccc([C@@H](C)NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001621252454 1099398340 /nfs/dbraw/zinc/39/83/40/1099398340.db2.gz QDARFGOAOUVIDP-HWPZZCPQSA-N 0 0 348.330 2.653 10 5 EFBERN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001621497224 1099420279 /nfs/dbraw/zinc/42/02/79/1099420279.db2.gz RHFVQPIKHRQHOE-GXSJLCMTSA-N 0 0 334.763 2.990 10 5 EFBERN Cn1cccc1[C@@H]1CCCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001621691798 1099440102 /nfs/dbraw/zinc/44/01/02/1099440102.db2.gz NFTQSMYIDGGWBC-JTQLQIEISA-N 0 0 337.767 2.677 10 5 EFBERN Cn1cccc1[C@H]1CCCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001621691799 1099440582 /nfs/dbraw/zinc/44/05/82/1099440582.db2.gz NFTQSMYIDGGWBC-SNVBAGLBSA-N 0 0 337.767 2.677 10 5 EFBERN O=C(c1ccc(Cl)nc1F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001622080326 1099473915 /nfs/dbraw/zinc/47/39/15/1099473915.db2.gz PPFPLSSWPOATFF-UHFFFAOYSA-N 0 0 335.722 2.981 10 5 EFBERN O=C(NOCC(F)(F)F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001622166193 1099486064 /nfs/dbraw/zinc/48/60/64/1099486064.db2.gz IPTWHUIIBHWUOD-UHFFFAOYSA-N 0 0 341.245 2.881 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](O)c1ccccc1F ZINC001622543901 1099523262 /nfs/dbraw/zinc/52/32/62/1099523262.db2.gz MSFHKWRRWNVTIJ-CVEARBPZSA-N 0 0 347.346 2.558 10 5 EFBERN CCOC(=O)c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC001622592105 1099528746 /nfs/dbraw/zinc/52/87/46/1099528746.db2.gz LFSLLCCTODCDRF-UHFFFAOYSA-N 0 0 333.275 2.558 10 5 EFBERN C[C@]1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CCO1 ZINC001622607557 1099529945 /nfs/dbraw/zinc/52/99/45/1099529945.db2.gz GJOPZIRVOFCBHE-GOSISDBHSA-N 0 0 341.367 2.565 10 5 EFBERN O=C(Nc1ccc(OCCO)cc1)c1cccc([N+](=O)[O-])c1Cl ZINC001622635345 1099532055 /nfs/dbraw/zinc/53/20/55/1099532055.db2.gz XYXMQBYANJHIHR-UHFFFAOYSA-N 0 0 336.731 2.872 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCCc2ccccc2O)cc1[N+](=O)[O-] ZINC001622771932 1099541014 /nfs/dbraw/zinc/54/10/14/1099541014.db2.gz YYZFMZPLRUKNIQ-UHFFFAOYSA-N 0 0 335.747 2.509 10 5 EFBERN C[C@](CO)(NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC001622912830 1099550162 /nfs/dbraw/zinc/55/01/62/1099550162.db2.gz GHIYRXDHDNQWNS-GOSISDBHSA-N 0 0 341.367 2.548 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]n1 ZINC001622994296 1099555443 /nfs/dbraw/zinc/55/54/43/1099555443.db2.gz ZIXRLNCHUDPOSB-LBPRGKRZSA-N 0 0 342.399 2.795 10 5 EFBERN CCc1nccc(C)c1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001623331993 1099575965 /nfs/dbraw/zinc/57/59/65/1099575965.db2.gz HXTBSEJBNNJLQM-UHFFFAOYSA-N 0 0 343.339 2.884 10 5 EFBERN CC(C)(C(=O)Nc1cnc2nccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC001623341095 1099577526 /nfs/dbraw/zinc/57/75/26/1099577526.db2.gz IAIVQVTYBJRHJE-UHFFFAOYSA-N 0 0 325.328 2.554 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H](O)C1CCCCCCC1 ZINC001623358543 1099579060 /nfs/dbraw/zinc/57/90/60/1099579060.db2.gz LZDBDFLHFHJPFH-QGZVFWFLSA-N 0 0 349.431 2.844 10 5 EFBERN CCc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1O ZINC001623359019 1099579127 /nfs/dbraw/zinc/57/91/27/1099579127.db2.gz WDHGIUIYBIAVQL-UHFFFAOYSA-N 0 0 329.356 2.705 10 5 EFBERN C[C@H](O)[C@@H]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001623381882 1099582300 /nfs/dbraw/zinc/58/23/00/1099582300.db2.gz HMLLJGWZTYHSJT-WCQYABFASA-N 0 0 343.383 2.563 10 5 EFBERN C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001623421028 1099586623 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EFBERN C[C@@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC001630533690 1100315022 /nfs/dbraw/zinc/31/50/22/1100315022.db2.gz BPBPJNKJDVKJGJ-GHMZBOCLSA-N 0 0 328.372 2.934 10 5 EFBERN COc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(N)c1F ZINC001630534559 1100315376 /nfs/dbraw/zinc/31/53/76/1100315376.db2.gz OYLJYJZVDLKOQH-VIFPVBQESA-N 0 0 333.319 2.816 10 5 EFBERN C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630571717 1100319668 /nfs/dbraw/zinc/31/96/68/1100319668.db2.gz ITZNNDLHHVOMDR-XHDPSFHLSA-N 0 0 334.397 2.779 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2ccnn2)CC1 ZINC001630656812 1100326643 /nfs/dbraw/zinc/32/66/43/1100326643.db2.gz WNKLBXCBZBBMRL-GFCCVEGCSA-N 0 0 347.350 2.501 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1noc(C(F)(F)F)n1 ZINC001630688943 1100329381 /nfs/dbraw/zinc/32/93/81/1100329381.db2.gz GXMNUQYANZLFOY-YFKPBYRVSA-N 0 0 348.212 2.627 10 5 EFBERN CC(=O)N[C@@](C)(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC001126532094 1100329963 /nfs/dbraw/zinc/32/99/63/1100329963.db2.gz IJKJKYAIUNBWDZ-YVEFUNNKSA-N 0 0 335.404 2.631 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(Br)s1 ZINC001630773221 1100336955 /nfs/dbraw/zinc/33/69/55/1100336955.db2.gz XPEMORQPTNDOBY-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccccc1-c1nc[nH]n1 ZINC001630888537 1100349619 /nfs/dbraw/zinc/34/96/19/1100349619.db2.gz LJIWMSCDTIUZBN-UHFFFAOYSA-N 0 0 341.302 2.700 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccnc2)on1 ZINC001630886198 1100350131 /nfs/dbraw/zinc/35/01/31/1100350131.db2.gz IYPCLAGTSFLMBH-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)CCOC2 ZINC001630890387 1100351455 /nfs/dbraw/zinc/35/14/55/1100351455.db2.gz DMTJBWRJLVHMLU-UHFFFAOYSA-N 0 0 327.340 2.962 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001630890947 1100351902 /nfs/dbraw/zinc/35/19/02/1100351902.db2.gz PIIFAUWBRASWFB-UHFFFAOYSA-N 0 0 328.284 2.736 10 5 EFBERN Nc1c(Cl)cc(F)cc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001630896714 1100351983 /nfs/dbraw/zinc/35/19/83/1100351983.db2.gz ZOOYQGXMXMBIIF-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(F)cc(F)c2OC)c1[N+](=O)[O-] ZINC001630923605 1100354061 /nfs/dbraw/zinc/35/40/61/1100354061.db2.gz YSEQXVZYEXLAHU-UHFFFAOYSA-N 0 0 338.270 2.571 10 5 EFBERN CNc1nccc(C(=O)NCc2ccnc3ccccc23)c1[N+](=O)[O-] ZINC001630936351 1100355285 /nfs/dbraw/zinc/35/52/85/1100355285.db2.gz LBJCMQUTFSEHJI-UHFFFAOYSA-N 0 0 337.339 2.510 10 5 EFBERN Cc1cn2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3N)ccc2n1 ZINC000729532280 1100373479 /nfs/dbraw/zinc/37/34/79/1100373479.db2.gz XZPLEURPLOUZJI-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001631371082 1100392203 /nfs/dbraw/zinc/39/22/03/1100392203.db2.gz PCFQUIJZRPGIPG-WFASDCNBSA-N 0 0 338.791 2.818 10 5 EFBERN O=C(NCc1cccc(=O)[nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001631390092 1100393920 /nfs/dbraw/zinc/39/39/20/1100393920.db2.gz MJZZWQJWRQSTME-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN O=C(NCC=C(Cl)Cl)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001631411588 1100396380 /nfs/dbraw/zinc/39/63/80/1100396380.db2.gz KKJBKHPMDVSYRQ-UHFFFAOYSA-N 0 0 341.154 2.829 10 5 EFBERN CN(C)c1ccccc1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001631484622 1100403109 /nfs/dbraw/zinc/40/31/09/1100403109.db2.gz OVRBZXSFOBHJTB-UHFFFAOYSA-N 0 0 331.347 2.659 10 5 EFBERN O=C(Oc1ccc2c(c1)C(=O)NC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001271033374 1100403174 /nfs/dbraw/zinc/40/31/74/1100403174.db2.gz UQJOAVDWVKTFIN-GOEBONIOSA-N 0 0 338.319 2.547 10 5 EFBERN O=C(N1CCc2c(O)cccc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001631560454 1100410151 /nfs/dbraw/zinc/41/01/51/1100410151.db2.gz WCEWSIMESKDFPA-UHFFFAOYSA-N 0 0 348.305 2.977 10 5 EFBERN CC[C@@H](NC(=O)c1cnc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC001631904635 1100438450 /nfs/dbraw/zinc/43/84/50/1100438450.db2.gz DNCYJTKHKMKAQU-CQSZACIVSA-N 0 0 325.328 2.747 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1OC ZINC001631946837 1100442031 /nfs/dbraw/zinc/44/20/31/1100442031.db2.gz BXPNYFHVMIGUNH-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN COc1ccc(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001632016247 1100447496 /nfs/dbraw/zinc/44/74/96/1100447496.db2.gz NZPWGZWPARNPGA-GFCCVEGCSA-N 0 0 343.383 2.794 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC001632035081 1100448256 /nfs/dbraw/zinc/44/82/56/1100448256.db2.gz PFYVTBANJQCBOW-UHFFFAOYSA-N 0 0 347.321 2.917 10 5 EFBERN Cc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001632051120 1100450533 /nfs/dbraw/zinc/45/05/33/1100450533.db2.gz WJQRTVPFVMPWPO-UHFFFAOYSA-N 0 0 325.368 2.947 10 5 EFBERN CNc1nccc(C(=O)Nc2cccc3c2ccn3C)c1[N+](=O)[O-] ZINC001632070543 1100451321 /nfs/dbraw/zinc/45/13/21/1100451321.db2.gz GDASLVVHVPXRDU-UHFFFAOYSA-N 0 0 325.328 2.776 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001632262806 1100462744 /nfs/dbraw/zinc/46/27/44/1100462744.db2.gz CBBQXZQPLHAMFU-BJHJDKERSA-N 0 0 349.387 2.628 10 5 EFBERN COc1cc(C(=O)N(C)OCc2ccccc2)c([N+](=O)[O-])cc1F ZINC001632336677 1100467127 /nfs/dbraw/zinc/46/71/27/1100467127.db2.gz VAWNJTIXKZQHDP-UHFFFAOYSA-N 0 0 334.303 2.946 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cc(C(F)(F)F)n[nH]1 ZINC001632349942 1100468446 /nfs/dbraw/zinc/46/84/46/1100468446.db2.gz UDYHSDQWIKLWSB-UHFFFAOYSA-N 0 0 332.213 2.657 10 5 EFBERN Nc1c(C(=O)NCc2noc3ccc(F)cc23)cc(F)cc1[N+](=O)[O-] ZINC001632388736 1100470287 /nfs/dbraw/zinc/47/02/87/1100470287.db2.gz RXIMJROLJAHZHH-UHFFFAOYSA-N 0 0 348.265 2.526 10 5 EFBERN CNc1c(C(=O)NCc2c(OC)cccc2OC)cccc1[N+](=O)[O-] ZINC001632390944 1100470508 /nfs/dbraw/zinc/47/05/08/1100470508.db2.gz CPKCRMXJMBFCBY-UHFFFAOYSA-N 0 0 345.355 2.584 10 5 EFBERN O=C(NOc1ccc(F)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001632408258 1100472208 /nfs/dbraw/zinc/47/22/08/1100472208.db2.gz ICSHIBFNYWRWCS-UHFFFAOYSA-N 0 0 342.286 2.643 10 5 EFBERN COc1cc(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)ccc1[N+](=O)[O-] ZINC001632454895 1100475004 /nfs/dbraw/zinc/47/50/04/1100475004.db2.gz NZNXQVHMXDWVIT-UHFFFAOYSA-N 0 0 339.307 2.697 10 5 EFBERN CCOc1n[nH]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001632531775 1100480341 /nfs/dbraw/zinc/48/03/41/1100480341.db2.gz QIBCHWOEVMYVNR-UHFFFAOYSA-N 0 0 333.329 2.579 10 5 EFBERN Cc1cc(C(=O)Nc2ccnn2CC2CCC2)c(N)c([N+](=O)[O-])c1 ZINC001632610009 1100487882 /nfs/dbraw/zinc/48/78/82/1100487882.db2.gz QSZCCSPXCQMCTG-UHFFFAOYSA-N 0 0 329.360 2.734 10 5 EFBERN Cc1ccc([C@@H]2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)cc1 ZINC001632764914 1100499462 /nfs/dbraw/zinc/49/94/62/1100499462.db2.gz FRDKAMVWHIDFFV-LLVKDONJSA-N 0 0 334.763 2.909 10 5 EFBERN CC(C)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](O)C(F)(F)F ZINC001632753672 1100499928 /nfs/dbraw/zinc/49/99/28/1100499928.db2.gz SVPJNNHZEYEKBE-GFCCVEGCSA-N 0 0 345.277 2.508 10 5 EFBERN CCn1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(C(C)C)n1 ZINC001632858392 1100504923 /nfs/dbraw/zinc/50/49/23/1100504923.db2.gz QFNBCOMPGBLJQV-UHFFFAOYSA-N 0 0 346.387 2.743 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cc2cnccc2o1 ZINC001632915651 1100508536 /nfs/dbraw/zinc/50/85/36/1100508536.db2.gz SQTJGCNJRXEMMP-VIFPVBQESA-N 0 0 326.312 2.809 10 5 EFBERN O=C(NCCC1Cc2ccccc2C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001632961487 1100511227 /nfs/dbraw/zinc/51/12/27/1100511227.db2.gz HPSLFCMRFBGDRN-UHFFFAOYSA-N 0 0 334.763 2.506 10 5 EFBERN O=C(C[C@H]1CC[C@H](C2CC2)O1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001633006673 1100514715 /nfs/dbraw/zinc/51/47/15/1100514715.db2.gz PQLMYWZDIQZGAQ-NVXWUHKLSA-N 0 0 346.383 2.532 10 5 EFBERN CCOc1ccc(C(=O)N2Cc3cncnc3[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001633003580 1100515020 /nfs/dbraw/zinc/51/50/20/1100515020.db2.gz XTPYUHUKCCNSOQ-NSHDSACASA-N 0 0 342.355 2.543 10 5 EFBERN CCC1(CC)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC001633021046 1100515876 /nfs/dbraw/zinc/51/58/76/1100515876.db2.gz PNBAMURKDKPNPI-CSMYWGQOSA-N 0 0 349.431 2.963 10 5 EFBERN CCCCOC(=O)CNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001633036851 1100516906 /nfs/dbraw/zinc/51/69/06/1100516906.db2.gz YTXUFXURZMGAFL-CQSZACIVSA-N 0 0 336.388 2.623 10 5 EFBERN CC(C)[C@@H]1CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001633162285 1100526531 /nfs/dbraw/zinc/52/65/31/1100526531.db2.gz BHJGQZJBMJDHIF-CQSZACIVSA-N 0 0 343.387 2.684 10 5 EFBERN Nc1c(C(=O)N2CCc3cc(F)c(F)cc3C2)cccc1[N+](=O)[O-] ZINC001633235479 1100530499 /nfs/dbraw/zinc/53/04/99/1100530499.db2.gz VQCBKOAAPQDPNS-UHFFFAOYSA-N 0 0 333.294 2.654 10 5 EFBERN CCOC(=O)C[C@H](C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633299585 1100534913 /nfs/dbraw/zinc/53/49/13/1100534913.db2.gz MGQKNDGKKRAPAZ-VIFPVBQESA-N 0 0 328.752 2.567 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC001633312734 1100535586 /nfs/dbraw/zinc/53/55/86/1100535586.db2.gz GMLPITKCOAIGQU-SMDDNHRTSA-N 0 0 331.376 2.840 10 5 EFBERN CC(C)(O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001633362606 1100537825 /nfs/dbraw/zinc/53/78/25/1100537825.db2.gz KYWGIZWTUXUILO-UHFFFAOYSA-N 0 0 332.331 2.891 10 5 EFBERN CCOC1CC2(C[C@@H]2C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001633375214 1100539785 /nfs/dbraw/zinc/53/97/85/1100539785.db2.gz RSPYBIMCYVEDQT-YZKWQOGNSA-N 0 0 330.344 2.615 10 5 EFBERN COc1cc(=O)[nH]cc1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001633402128 1100540506 /nfs/dbraw/zinc/54/05/06/1100540506.db2.gz SXYMDGROTMQXEK-UHFFFAOYSA-N 0 0 343.339 2.687 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC001633424151 1100541834 /nfs/dbraw/zinc/54/18/34/1100541834.db2.gz ZHYUZQQWSLFTMF-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN COc1ccc2[nH]c([C@H](C)NC(=O)c3ccc([N+](=O)[O-])o3)nc2c1 ZINC001633532252 1100548971 /nfs/dbraw/zinc/54/89/71/1100548971.db2.gz JMCOBUFEBJDGMM-QMMMGPOBSA-N 0 0 330.300 2.564 10 5 EFBERN O=Cc1ccc(OCC(=O)Nc2ncsc2C2CC2)c([N+](=O)[O-])c1 ZINC001633589167 1100551945 /nfs/dbraw/zinc/55/19/45/1100551945.db2.gz LRVHLUPOXKWSHB-UHFFFAOYSA-N 0 0 347.352 2.759 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001633587230 1100552148 /nfs/dbraw/zinc/55/21/48/1100552148.db2.gz AAWQNLHDIBHVCM-GWCFXTLKSA-N 0 0 339.779 2.518 10 5 EFBERN CC[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ncc[nH]1 ZINC001633639030 1100555308 /nfs/dbraw/zinc/55/53/08/1100555308.db2.gz NZKUPHKEGMKBPJ-CYBMUJFWSA-N 0 0 339.355 2.934 10 5 EFBERN O=C(Cc1cccc(C(F)(F)F)n1)NCc1cccc([N+](=O)[O-])c1 ZINC001633760916 1100564564 /nfs/dbraw/zinc/56/45/64/1100564564.db2.gz JMEKOSCGHDKRIC-UHFFFAOYSA-N 0 0 339.273 2.868 10 5 EFBERN CCC(C)(C)OC1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001633882739 1100571751 /nfs/dbraw/zinc/57/17/51/1100571751.db2.gz ZCHPLSDBXHTTHH-UHFFFAOYSA-N 0 0 335.404 2.736 10 5 EFBERN CC(C)c1cc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC001633886538 1100572714 /nfs/dbraw/zinc/57/27/14/1100572714.db2.gz DXLLPYPNLKUVIA-GFCCVEGCSA-N 0 0 343.387 2.856 10 5 EFBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001633944765 1100576777 /nfs/dbraw/zinc/57/67/77/1100576777.db2.gz KFBRWAMVUWSAHM-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC001634061482 1100581590 /nfs/dbraw/zinc/58/15/90/1100581590.db2.gz NURVMAKGGUDANX-GFCCVEGCSA-N 0 0 342.351 2.596 10 5 EFBERN Cc1c(CNC(=O)c2nc3cnccc3s2)cccc1[N+](=O)[O-] ZINC001634104392 1100584855 /nfs/dbraw/zinc/58/48/55/1100584855.db2.gz SKNLAWBEFKXJQA-UHFFFAOYSA-N 0 0 328.353 2.838 10 5 EFBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001634144363 1100586943 /nfs/dbraw/zinc/58/69/43/1100586943.db2.gz GBPKILBOWSWBDG-UHFFFAOYSA-N 0 0 339.355 2.716 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001634150302 1100588258 /nfs/dbraw/zinc/58/82/58/1100588258.db2.gz VQHADWGSYSLGLS-UKRRQHHQSA-N 0 0 340.383 2.713 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001634150301 1100588576 /nfs/dbraw/zinc/58/85/76/1100588576.db2.gz VQHADWGSYSLGLS-HIFRSBDPSA-N 0 0 340.383 2.713 10 5 EFBERN Cc1cc(F)c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(F)c1 ZINC001634187001 1100589588 /nfs/dbraw/zinc/58/95/88/1100589588.db2.gz NBRHFKIFCBRFIJ-UHFFFAOYSA-N 0 0 346.293 2.988 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1N ZINC001634236964 1100592241 /nfs/dbraw/zinc/59/22/41/1100592241.db2.gz FLVCNURRZJMGBM-UHFFFAOYSA-N 0 0 349.730 2.869 10 5 EFBERN C[C@@H]1C[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001634286524 1100595913 /nfs/dbraw/zinc/59/59/13/1100595913.db2.gz HGLFBGNSNBYULS-NWDGAFQWSA-N 0 0 329.356 2.779 10 5 EFBERN Nc1ncc(C(=O)Nc2ccn(C3CCCCC3)n2)cc1[N+](=O)[O-] ZINC001634292818 1100597895 /nfs/dbraw/zinc/59/78/95/1100597895.db2.gz WSPBINSQENRZDS-UHFFFAOYSA-N 0 0 330.348 2.526 10 5 EFBERN O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])s1 ZINC001634347406 1100601376 /nfs/dbraw/zinc/60/13/76/1100601376.db2.gz UDKNZYRYRCDHQF-NSHDSACASA-N 0 0 331.353 2.860 10 5 EFBERN CSc1ccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001634407991 1100606340 /nfs/dbraw/zinc/60/63/40/1100606340.db2.gz YAQFJCVRCCKOCM-OAHLLOKOSA-N 0 0 332.381 2.667 10 5 EFBERN CO[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3N)cccc21 ZINC001634471384 1100609601 /nfs/dbraw/zinc/60/96/01/1100609601.db2.gz GGYUQBBFIQKNOW-HNNXBMFYSA-N 0 0 343.339 2.899 10 5 EFBERN CC(C)SCC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634477162 1100610664 /nfs/dbraw/zinc/61/06/64/1100610664.db2.gz ABWRWVHQPSZVIA-UHFFFAOYSA-N 0 0 336.417 2.662 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001634570148 1100616740 /nfs/dbraw/zinc/61/67/40/1100616740.db2.gz CWQQFEGYNOJGLD-AULYBMBSSA-N 0 0 344.396 2.625 10 5 EFBERN CC(C)[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)c2ccccc21 ZINC001634578297 1100617319 /nfs/dbraw/zinc/61/73/19/1100617319.db2.gz QZZKQXLCYFVDEX-CYBMUJFWSA-N 0 0 326.356 2.972 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cnc(-c2ccccc2F)s1 ZINC001634599855 1100618173 /nfs/dbraw/zinc/61/81/73/1100618173.db2.gz URBTXGOMKYXBFO-UHFFFAOYSA-N 0 0 333.304 2.833 10 5 EFBERN COc1ccc2[nH]c([C@H](C)NC(=O)c3ccccc3[N+](=O)[O-])nc2c1 ZINC001634654665 1100622338 /nfs/dbraw/zinc/62/23/38/1100622338.db2.gz JWKZSBDRGRHPRF-JTQLQIEISA-N 0 0 340.339 2.971 10 5 EFBERN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001634729990 1100627006 /nfs/dbraw/zinc/62/70/06/1100627006.db2.gz YANYWRWXSXRUJW-OLZOCXBDSA-N 0 0 348.309 2.508 10 5 EFBERN O=C(NCCCCC1CC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634763179 1100628713 /nfs/dbraw/zinc/62/87/13/1100628713.db2.gz CPAWYJNFAQLMMT-UHFFFAOYSA-N 0 0 331.376 2.851 10 5 EFBERN CC(C)(NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001634868015 1100633459 /nfs/dbraw/zinc/63/34/59/1100633459.db2.gz FHKJGRLYSPRSAE-UHFFFAOYSA-N 0 0 326.715 2.776 10 5 EFBERN O=C(N[C@H](CO)CC1CCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001634905478 1100634827 /nfs/dbraw/zinc/63/48/27/1100634827.db2.gz AHEXTRYTYXQITC-USXIJHARSA-N 0 0 332.400 2.756 10 5 EFBERN Cc1noc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC001635051725 1100642191 /nfs/dbraw/zinc/64/21/91/1100642191.db2.gz OJCQEMUKIQXMGG-ZNMIVQPWSA-N 0 0 342.355 2.753 10 5 EFBERN Cc1c(C(=O)Nc2ccc3[nH]c(C(N)=O)cc3c2)cccc1[N+](=O)[O-] ZINC001635185158 1100647871 /nfs/dbraw/zinc/64/78/71/1100647871.db2.gz RZQXWZIMCGZOMH-UHFFFAOYSA-N 0 0 338.323 2.736 10 5 EFBERN CCC[C@]1(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCOC1 ZINC001635211401 1100649284 /nfs/dbraw/zinc/64/92/84/1100649284.db2.gz ASFLFADGEABAQO-AWEZNQCLSA-N 0 0 345.758 2.659 10 5 EFBERN COc1cc(C(=O)NC[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC001635206195 1100649495 /nfs/dbraw/zinc/64/94/95/1100649495.db2.gz NVZGYGUXSVHEJX-HNNXBMFYSA-N 0 0 348.330 2.514 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC001635220707 1100650363 /nfs/dbraw/zinc/65/03/63/1100650363.db2.gz VPYUSXQRKJLFKX-UHFFFAOYSA-N 0 0 331.376 2.591 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1coc(C(F)F)c1 ZINC001635281990 1100653102 /nfs/dbraw/zinc/65/31/02/1100653102.db2.gz FBOMIAJWDLLZCZ-UHFFFAOYSA-N 0 0 336.254 2.932 10 5 EFBERN COc1ccccc1CONC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001635306973 1100653812 /nfs/dbraw/zinc/65/38/12/1100653812.db2.gz LKZBTLQLMSPVOH-UHFFFAOYSA-N 0 0 334.303 2.913 10 5 EFBERN CCCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(=O)OC ZINC001635321835 1100654477 /nfs/dbraw/zinc/65/44/77/1100654477.db2.gz OXRIUNYCXJZJID-ZDUSSCGKSA-N 0 0 340.351 2.894 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(Cc2ncon2)CC1 ZINC001635333623 1100655374 /nfs/dbraw/zinc/65/53/74/1100655374.db2.gz RGMNAGIYMIISIG-UHFFFAOYSA-N 0 0 348.334 2.520 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1N ZINC001635343535 1100655993 /nfs/dbraw/zinc/65/59/93/1100655993.db2.gz VQFFPHXXXMKSQF-UHFFFAOYSA-N 0 0 343.339 2.833 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ncon1)C1CC1 ZINC001635405337 1100661141 /nfs/dbraw/zinc/66/11/41/1100661141.db2.gz MOLIOZVGYWHLGG-WFASDCNBSA-N 0 0 344.371 2.814 10 5 EFBERN CN(C)c1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc1Cl ZINC001635415750 1100661472 /nfs/dbraw/zinc/66/14/72/1100661472.db2.gz PJGVPQGLHNTZBM-UHFFFAOYSA-N 0 0 335.751 2.544 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2ccc(F)cc2)c1C ZINC001635416246 1100661536 /nfs/dbraw/zinc/66/15/36/1100661536.db2.gz DTXFOQSAAHTLTR-HNNXBMFYSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)c1ccccc1F ZINC001635452223 1100662404 /nfs/dbraw/zinc/66/24/04/1100662404.db2.gz VEIZMESEIATDNS-CQSZACIVSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)n1 ZINC001635460800 1100663035 /nfs/dbraw/zinc/66/30/35/1100663035.db2.gz QTVLZYOYYKYNPN-MRXNPFEDSA-N 0 0 326.356 2.858 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)n1 ZINC001635482721 1100664058 /nfs/dbraw/zinc/66/40/58/1100664058.db2.gz NUXJJOWSDALRPW-HYEYJGRESA-N 0 0 347.415 2.700 10 5 EFBERN COc1ccc(CC(=O)Nc2cnc3[nH]ccc3c2C)cc1[N+](=O)[O-] ZINC001635615878 1100670506 /nfs/dbraw/zinc/67/05/06/1100670506.db2.gz HAYWPOHKPJPBFH-UHFFFAOYSA-N 0 0 340.339 2.921 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2c(C(C)C)nc3ccccn32)c1[N+](=O)[O-] ZINC001635687642 1100674134 /nfs/dbraw/zinc/67/41/34/1100674134.db2.gz NLCWCVOXMQSGFR-UHFFFAOYSA-N 0 0 328.332 2.650 10 5 EFBERN COc1ccc(N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1Cl ZINC001635766514 1100678175 /nfs/dbraw/zinc/67/81/75/1100678175.db2.gz MNSGCGXOHZYXGG-UHFFFAOYSA-N 0 0 345.142 2.910 10 5 EFBERN O=C(C1=C[S@](=O)CCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001635911958 1100687314 /nfs/dbraw/zinc/68/73/14/1100687314.db2.gz RLINIUSOLPBGLB-JBEBIEQOSA-N 0 0 348.424 2.727 10 5 EFBERN COc1cccc2c1n[nH]c2C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001635925255 1100687783 /nfs/dbraw/zinc/68/77/83/1100687783.db2.gz BKLLYKVAOBFKAV-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN Cc1c[nH]c(-c2ccccc2NC(=O)c2cnc(N)c([N+](=O)[O-])c2)n1 ZINC001635942001 1100688983 /nfs/dbraw/zinc/68/89/83/1100688983.db2.gz ZHVWVKXEWYYCIA-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN Cc1cc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)[nH]n1 ZINC001636066083 1100697918 /nfs/dbraw/zinc/69/79/18/1100697918.db2.gz YEMKLTPASFDOHC-OAHLLOKOSA-N 0 0 329.360 2.697 10 5 EFBERN CC(C)OC(=O)[C@@H](C)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636104527 1100700834 /nfs/dbraw/zinc/70/08/34/1100700834.db2.gz VIYNJXATDWOXBR-SNVBAGLBSA-N 0 0 342.779 2.589 10 5 EFBERN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001636136904 1100702405 /nfs/dbraw/zinc/70/24/05/1100702405.db2.gz KRKFKLQOXXFQSF-RISCZKNCSA-N 0 0 326.356 2.795 10 5 EFBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H]1c1ccncc1 ZINC001636195400 1100706697 /nfs/dbraw/zinc/70/66/97/1100706697.db2.gz BFYVKXWDSTZTHG-OAHLLOKOSA-N 0 0 326.356 2.795 10 5 EFBERN CC(C)(C)Oc1cccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC001636225512 1100708069 /nfs/dbraw/zinc/70/80/69/1100708069.db2.gz ZKXDUMABANQGIQ-UHFFFAOYSA-N 0 0 345.355 2.573 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1[nH]cnc1C(F)(F)F ZINC001636246756 1100709167 /nfs/dbraw/zinc/70/91/67/1100709167.db2.gz LCHRCKCIAJDKMS-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ncon1 ZINC001636262764 1100709575 /nfs/dbraw/zinc/70/95/75/1100709575.db2.gz OKAMBOMBGMGJEK-LLVKDONJSA-N 0 0 336.735 2.537 10 5 EFBERN C[C@@H](CNC(=O)c1ccc(NC(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001636285017 1100711092 /nfs/dbraw/zinc/71/10/92/1100711092.db2.gz ZAYJAGVNULOMQO-NSHDSACASA-N 0 0 342.355 2.619 10 5 EFBERN Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001636283960 1100711292 /nfs/dbraw/zinc/71/12/92/1100711292.db2.gz GQKQKVCQONOFFE-LLVKDONJSA-N 0 0 330.388 2.787 10 5 EFBERN O=C(NC[C@H]1CSc2ccccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001636296935 1100711819 /nfs/dbraw/zinc/71/18/19/1100711819.db2.gz YHAUPKCGMQPDCB-LRDDRELGSA-N 0 0 344.392 2.634 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1Cl ZINC001636325805 1100713800 /nfs/dbraw/zinc/71/38/00/1100713800.db2.gz AXVHFRGBIXNBMN-GWCFXTLKSA-N 0 0 326.780 2.919 10 5 EFBERN CC[C@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001636486853 1100721789 /nfs/dbraw/zinc/72/17/89/1100721789.db2.gz ZVYFQHBUTCVDGH-AWEZNQCLSA-N 0 0 342.351 2.995 10 5 EFBERN C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])Cc2cncnc21 ZINC001636526759 1100724795 /nfs/dbraw/zinc/72/47/95/1100724795.db2.gz MOMAMTQWAZDKAU-LLVKDONJSA-N 0 0 344.346 2.602 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)c(N)c1[N+](=O)[O-] ZINC001636724195 1100734064 /nfs/dbraw/zinc/73/40/64/1100734064.db2.gz RAXGBKHATQKOEV-CQSZACIVSA-N 0 0 340.339 2.617 10 5 EFBERN Cc1ccc(NC(=O)c2ccnc(OC(C)C)c2)c(N)c1[N+](=O)[O-] ZINC001636724308 1100734225 /nfs/dbraw/zinc/73/42/25/1100734225.db2.gz VPSFBBJMQFLJJW-UHFFFAOYSA-N 0 0 330.344 2.920 10 5 EFBERN O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc([N+](=O)[O-])ccc1F ZINC001636725323 1100734359 /nfs/dbraw/zinc/73/43/59/1100734359.db2.gz FEEXEGSCNLSBLF-UHFFFAOYSA-N 0 0 344.302 2.508 10 5 EFBERN Cc1ccc(NC(=O)c2c(Cl)nn(C)c2Cl)c(N)c1[N+](=O)[O-] ZINC001636728923 1100734806 /nfs/dbraw/zinc/73/48/06/1100734806.db2.gz GTUPMJHKMQWHJV-UHFFFAOYSA-N 0 0 344.158 2.778 10 5 EFBERN CCOc1nccc(C)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001636729216 1100734890 /nfs/dbraw/zinc/73/48/90/1100734890.db2.gz RLLLJEZKPOFNOK-UHFFFAOYSA-N 0 0 330.344 2.840 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC001636815752 1100739551 /nfs/dbraw/zinc/73/95/51/1100739551.db2.gz CAKNSPUCHSBZIY-PXAZEXFGSA-N 0 0 346.358 2.764 10 5 EFBERN C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001636912740 1100745649 /nfs/dbraw/zinc/74/56/49/1100745649.db2.gz OVPWGCKTXFUUMU-AAEUAGOBSA-N 0 0 343.383 2.706 10 5 EFBERN CC(=O)[C@H]1CCCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001636955079 1100746527 /nfs/dbraw/zinc/74/65/27/1100746527.db2.gz GHYIESJGAGKBJV-OAHLLOKOSA-N 0 0 341.367 2.914 10 5 EFBERN O=C(Nc1n[nH]cc1-c1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001636981945 1100748666 /nfs/dbraw/zinc/74/86/66/1100748666.db2.gz CBXMCYHVVZOVAH-HNNXBMFYSA-N 0 0 338.323 2.657 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc(C(C)=O)c(C)c2)c1[N+](=O)[O-] ZINC001637099308 1100756870 /nfs/dbraw/zinc/75/68/70/1100756870.db2.gz UVLKOCZGUNKFTA-UHFFFAOYSA-N 0 0 328.328 2.795 10 5 EFBERN COCCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cn1 ZINC001637102584 1100757791 /nfs/dbraw/zinc/75/77/91/1100757791.db2.gz KWAQKFAJOFLNJP-UHFFFAOYSA-N 0 0 347.375 2.510 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001637136799 1100760473 /nfs/dbraw/zinc/76/04/73/1100760473.db2.gz FWPJWXQLXXBHKW-UHFFFAOYSA-N 0 0 330.315 2.909 10 5 EFBERN CN(C)c1ccc2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])ccc2c1 ZINC001637163673 1100762214 /nfs/dbraw/zinc/76/22/14/1100762214.db2.gz IXKIEIOKTURHQN-UHFFFAOYSA-N 0 0 325.328 2.789 10 5 EFBERN Nc1ccc(NC(=O)[C@@]2(c3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC001637200609 1100764218 /nfs/dbraw/zinc/76/42/18/1100764218.db2.gz NWZABUVBVGKNKS-KRWDZBQOSA-N 0 0 327.340 2.821 10 5 EFBERN COc1ccc(C(F)(F)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001637201225 1100764224 /nfs/dbraw/zinc/76/42/24/1100764224.db2.gz TVHMRAPTIOYAAK-UHFFFAOYSA-N 0 0 337.282 2.916 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(F)cc(F)c1N)CC2 ZINC001637288476 1100770400 /nfs/dbraw/zinc/77/04/00/1100770400.db2.gz KVPDABDVTXCTPY-UHFFFAOYSA-N 0 0 333.294 2.967 10 5 EFBERN O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC001637443543 1100783179 /nfs/dbraw/zinc/78/31/79/1100783179.db2.gz RSYPHLYLFMOSJB-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC=C(c2ccccn2)C1 ZINC001637483521 1100786243 /nfs/dbraw/zinc/78/62/43/1100786243.db2.gz YMVKQGLPGDEHHQ-UHFFFAOYSA-N 0 0 339.351 2.928 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ncc[nH]1 ZINC001637553394 1100789901 /nfs/dbraw/zinc/78/99/01/1100789901.db2.gz SYGPBXLZKDVOOA-SSDOTTSWSA-N 0 0 339.149 2.571 10 5 EFBERN Cc1n[nH]c(C(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC001637597764 1100793842 /nfs/dbraw/zinc/79/38/42/1100793842.db2.gz USKKTSMOENUPAR-STQMWFEESA-N 0 0 328.372 2.796 10 5 EFBERN COC(=O)/C=C\[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001637686820 1100799231 /nfs/dbraw/zinc/79/92/31/1100799231.db2.gz JGEMREPDDMUUHN-JVBZPZKUSA-N 0 0 334.353 2.657 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001637702398 1100801288 /nfs/dbraw/zinc/80/12/88/1100801288.db2.gz XHEHAJQHMSETNT-MRXNPFEDSA-N 0 0 347.346 2.575 10 5 EFBERN Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC001637719738 1100801844 /nfs/dbraw/zinc/80/18/44/1100801844.db2.gz VJPTVKFLBNISPY-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN CCn1ccnc1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001637728819 1100801927 /nfs/dbraw/zinc/80/19/27/1100801927.db2.gz VTUPOOABUPPXCP-UHFFFAOYSA-N 0 0 326.715 2.534 10 5 EFBERN Cc1nn(C)c(NCCNc2ncccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000052430307 1100805831 /nfs/dbraw/zinc/80/58/31/1100805831.db2.gz RXDMPJNXNOLKDG-UHFFFAOYSA-N 0 0 344.297 2.575 10 5 EFBERN O=C(NCc1nc2cnccc2s1)c1ccc([N+](=O)[O-])cc1F ZINC001637897260 1100815157 /nfs/dbraw/zinc/81/51/57/1100815157.db2.gz DTDIZMXEZSHTSO-UHFFFAOYSA-N 0 0 332.316 2.669 10 5 EFBERN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001637896987 1100815470 /nfs/dbraw/zinc/81/54/70/1100815470.db2.gz XERYAJLRLYOHFZ-HUUCEWRRSA-N 0 0 344.415 2.572 10 5 EFBERN Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(F)c1Br ZINC001637946906 1100819071 /nfs/dbraw/zinc/81/90/71/1100819071.db2.gz NBQXMOLVZDUBTG-UHFFFAOYSA-N 0 0 343.112 2.780 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)C1CCC1 ZINC001637983561 1100822893 /nfs/dbraw/zinc/82/28/93/1100822893.db2.gz HIVYEUFTHJWPOD-SECBINFHSA-N 0 0 347.400 2.783 10 5 EFBERN C[C@H]1Cc2n[nH]cc2CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001637996933 1100824654 /nfs/dbraw/zinc/82/46/54/1100824654.db2.gz DACIOFMTVBGGQU-JTQLQIEISA-N 0 0 339.355 2.634 10 5 EFBERN O=C(CCC(F)F)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001638000995 1100824791 /nfs/dbraw/zinc/82/47/91/1100824791.db2.gz AJTDXYIHMDRJQC-UHFFFAOYSA-N 0 0 326.303 2.565 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1cnc2n1CCC2 ZINC001638062610 1100829069 /nfs/dbraw/zinc/82/90/69/1100829069.db2.gz ZZQACGFGKFMAHC-UHFFFAOYSA-N 0 0 348.790 2.640 10 5 EFBERN C[C@@H](NC(=O)NC1(c2ncccn2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001638148405 1100837603 /nfs/dbraw/zinc/83/76/03/1100837603.db2.gz DBRMFCSCIGTFDZ-GFCCVEGCSA-N 0 0 341.371 2.824 10 5 EFBERN O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001638157923 1100837989 /nfs/dbraw/zinc/83/79/89/1100837989.db2.gz MSKMUVCWGFYRCO-UHFFFAOYSA-N 0 0 337.295 2.910 10 5 EFBERN Cc1ccc(Br)c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC001638185117 1100840573 /nfs/dbraw/zinc/84/05/73/1100840573.db2.gz HKXMRPJUWHSLNO-UHFFFAOYSA-N 0 0 338.161 2.924 10 5 EFBERN CCc1c[nH]c(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001638186003 1100840846 /nfs/dbraw/zinc/84/08/46/1100840846.db2.gz STGYRJQBWMDTKE-UHFFFAOYSA-N 0 0 326.715 2.603 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](CCO)CC1 ZINC001638278830 1100845984 /nfs/dbraw/zinc/84/59/84/1100845984.db2.gz VFHCVKNNNYDNGI-GFCCVEGCSA-N 0 0 340.807 2.802 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1OCCc2sccc21 ZINC001638282947 1100846346 /nfs/dbraw/zinc/84/63/46/1100846346.db2.gz JJOMLPBXZDJVSK-BJOHPYRUSA-N 0 0 347.396 2.671 10 5 EFBERN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001638442169 1100860519 /nfs/dbraw/zinc/86/05/19/1100860519.db2.gz SBWGGFZVPCWCSW-IQJOONFLSA-N 0 0 332.385 2.766 10 5 EFBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001638473508 1100862725 /nfs/dbraw/zinc/86/27/25/1100862725.db2.gz RAGKDQGTSRWPPY-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN C[C@@H]1CN=C(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)S1 ZINC001638506184 1100864644 /nfs/dbraw/zinc/86/46/44/1100864644.db2.gz DWVIXNGDZUSEQN-MRVPVSSYSA-N 0 0 348.409 2.939 10 5 EFBERN O=C(NCC1(c2ccccc2Cl)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001638553627 1100868277 /nfs/dbraw/zinc/86/82/77/1100868277.db2.gz CHFCXUUPFRYCPT-UHFFFAOYSA-N 0 0 347.758 2.810 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001638557548 1100868915 /nfs/dbraw/zinc/86/89/15/1100868915.db2.gz BWIVRGSWHVITKL-SECBINFHSA-N 0 0 339.355 2.974 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC001638611360 1100872816 /nfs/dbraw/zinc/87/28/16/1100872816.db2.gz FGQLQHQWUIDIHT-PBHICJAKSA-N 0 0 330.315 2.971 10 5 EFBERN C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC001638622314 1100873806 /nfs/dbraw/zinc/87/38/06/1100873806.db2.gz ZMZCAMCQWZEDEI-SECBINFHSA-N 0 0 326.312 2.809 10 5 EFBERN Cc1ccccc1C[C@@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001638658748 1100876617 /nfs/dbraw/zinc/87/66/17/1100876617.db2.gz MGOJTMCUCIDXQC-ZDUSSCGKSA-N 0 0 348.786 2.890 10 5 EFBERN CO[C@H]1CCCN(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001638692175 1100878645 /nfs/dbraw/zinc/87/86/45/1100878645.db2.gz ZBRDJHMQGHARJU-ZDUSSCGKSA-N 0 0 335.404 2.648 10 5 EFBERN Cc1cc(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 ZINC001638687224 1100878704 /nfs/dbraw/zinc/87/87/04/1100878704.db2.gz VIUYVVBLQSFGTC-SSDOTTSWSA-N 0 0 344.249 2.796 10 5 EFBERN C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1noc(C(F)(F)F)n1 ZINC001638687129 1100879211 /nfs/dbraw/zinc/87/92/11/1100879211.db2.gz SONDJYDYOQGKIV-YFKPBYRVSA-N 0 0 348.212 2.627 10 5 EFBERN C[C@@H](CNC(=O)N[C@@H](CO)CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC001638708185 1100880011 /nfs/dbraw/zinc/88/00/11/1100880011.db2.gz XIAJOTIGLVSIBW-GXTWGEPZSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001638707183 1100880154 /nfs/dbraw/zinc/88/01/54/1100880154.db2.gz FDEGTQSUKDSIMM-CJNGLKHVSA-N 0 0 349.431 2.939 10 5 EFBERN CC[C@H](C)C[C@@H](CO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001638746082 1100883040 /nfs/dbraw/zinc/88/30/40/1100883040.db2.gz CMCDYWIKGOWDND-AAEUAGOBSA-N 0 0 345.399 2.857 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc(C(C)(C)C)[nH]1 ZINC001638819163 1100888107 /nfs/dbraw/zinc/88/81/07/1100888107.db2.gz XLRBQSNCVZJCEJ-UHFFFAOYSA-N 0 0 349.416 2.662 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCc2c[nH]nc2C1 ZINC001638850940 1100891320 /nfs/dbraw/zinc/89/13/20/1100891320.db2.gz DSOFXMGIYMYWRK-SNVBAGLBSA-N 0 0 337.339 2.610 10 5 EFBERN Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001638861691 1100892232 /nfs/dbraw/zinc/89/22/32/1100892232.db2.gz DTWBUPPUXQLFQI-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1Cc2ccccc2O1 ZINC001638896049 1100896617 /nfs/dbraw/zinc/89/66/17/1100896617.db2.gz JWBRAJVMPUYTPQ-CYBMUJFWSA-N 0 0 327.340 2.969 10 5 EFBERN CC1(C)C[C@@]1(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC001638953391 1100901454 /nfs/dbraw/zinc/90/14/54/1100901454.db2.gz IFRLVERYQBUODT-GOSISDBHSA-N 0 0 341.367 2.793 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(=O)OC ZINC001638978626 1100902877 /nfs/dbraw/zinc/90/28/77/1100902877.db2.gz OMNDHQHENKUHJU-NOZJJQNGSA-N 0 0 340.351 2.750 10 5 EFBERN O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC001639031836 1100906413 /nfs/dbraw/zinc/90/64/13/1100906413.db2.gz AVPSZUFEWZXBLM-UHFFFAOYSA-N 0 0 337.645 2.587 10 5 EFBERN CN(Cc1noc(C2CC2)n1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001639083753 1100911121 /nfs/dbraw/zinc/91/11/21/1100911121.db2.gz RLCWUOPQJLJTQJ-UONOGXRCSA-N 0 0 342.355 2.617 10 5 EFBERN Cc1ncccc1/C=C/C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001639087525 1100912616 /nfs/dbraw/zinc/91/26/16/1100912616.db2.gz FMBCVHLNLAHPAW-SNAWJCMRSA-N 0 0 333.294 2.906 10 5 EFBERN O=C(Cc1ccc2c(c1)COC2)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001639088083 1100912707 /nfs/dbraw/zinc/91/27/07/1100912707.db2.gz UQBOZDUOIMWCLB-UHFFFAOYSA-N 0 0 348.305 2.762 10 5 EFBERN Nc1c(C(=O)N2CCC[C@H](c3cccnc3)C2)cc(F)cc1[N+](=O)[O-] ZINC001639092201 1100912808 /nfs/dbraw/zinc/91/28/08/1100912808.db2.gz MHNKUSJPMDKQGO-LBPRGKRZSA-N 0 0 344.346 2.731 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2NC(=O)C1 ZINC001639101120 1100913761 /nfs/dbraw/zinc/91/37/61/1100913761.db2.gz OTDOFOJEYUITCD-UHFFFAOYSA-N 0 0 339.351 2.508 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(CO)cc2)c1 ZINC001639184626 1100922877 /nfs/dbraw/zinc/92/28/77/1100922877.db2.gz WOPIQDCSZGGOQP-UHFFFAOYSA-N 0 0 330.340 2.803 10 5 EFBERN COC(=O)c1ccnc(Oc2ccc([N+](=O)[O-])c(C)c2)c1[N+](=O)[O-] ZINC001639194977 1100923532 /nfs/dbraw/zinc/92/35/32/1100923532.db2.gz GNOCKINSIQDATE-UHFFFAOYSA-N 0 0 333.256 2.785 10 5 EFBERN CC1(C)CC[C@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)O1 ZINC001639214665 1100926474 /nfs/dbraw/zinc/92/64/74/1100926474.db2.gz VXISJOFTNOMOBB-SECBINFHSA-N 0 0 327.768 2.518 10 5 EFBERN COC(=O)/C=C\c1ccc(Oc2ncc([N+](=O)[O-])c(C)n2)c(OC)c1 ZINC001639235629 1100927061 /nfs/dbraw/zinc/92/70/61/1100927061.db2.gz IKBBLHLDZUPQKB-ALCCZGGFSA-N 0 0 345.311 2.680 10 5 EFBERN O=C(NC[C@@H]1CCc2cccnc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001639227951 1100927413 /nfs/dbraw/zinc/92/74/13/1100927413.db2.gz HIHOCDUIJUYZAT-LBPRGKRZSA-N 0 0 336.351 2.931 10 5 EFBERN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2cnccn2)C1 ZINC001639251469 1100929021 /nfs/dbraw/zinc/92/90/21/1100929021.db2.gz NJQGLXICCABJLI-NUEKZKHPSA-N 0 0 338.367 2.504 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001639251407 1100929176 /nfs/dbraw/zinc/92/91/76/1100929176.db2.gz PKMHAWLDXCUMNU-UHFFFAOYSA-N 0 0 342.351 2.928 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCCn2cccn2)cc1C ZINC001639253343 1100930434 /nfs/dbraw/zinc/93/04/34/1100930434.db2.gz RPRXNGZKLNXJQM-UHFFFAOYSA-N 0 0 332.360 2.779 10 5 EFBERN O=c1[nH]ccc(NCCNc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC001639253350 1100930590 /nfs/dbraw/zinc/93/05/90/1100930590.db2.gz SDOHTUSIGJAINN-UHFFFAOYSA-N 0 0 331.357 2.829 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ncccn2)C1 ZINC001639259918 1100931430 /nfs/dbraw/zinc/93/14/30/1100931430.db2.gz SFFCWQPBXCUUDK-ZDUSSCGKSA-N 0 0 326.356 2.631 10 5 EFBERN CCOCCOC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001639293191 1100935330 /nfs/dbraw/zinc/93/53/30/1100935330.db2.gz HXIVYKOUNIIDRX-UHFFFAOYSA-N 0 0 346.387 2.560 10 5 EFBERN COc1ccc(CC(=O)Nc2cc(=O)c(Cl)c[nH]2)cc1[N+](=O)[O-] ZINC001639373328 1100942021 /nfs/dbraw/zinc/94/20/21/1100942021.db2.gz AWOUBBSFMNUCIH-UHFFFAOYSA-N 0 0 337.719 2.539 10 5 EFBERN Cc1c[nH]c(-c2ccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])cc2)n1 ZINC001639394384 1100944685 /nfs/dbraw/zinc/94/46/85/1100944685.db2.gz TWNUXHHNXWQKSW-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN Cc1[nH]nc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1Cl ZINC001639445632 1100949623 /nfs/dbraw/zinc/94/96/23/1100949623.db2.gz GNUDHQVFKSCYMF-UHFFFAOYSA-N 0 0 326.715 2.990 10 5 EFBERN COc1nscc1CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001639448267 1100950581 /nfs/dbraw/zinc/95/05/81/1100950581.db2.gz XIEQZOZVRIEUPM-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OCc1ccccc1 ZINC001639481431 1100955348 /nfs/dbraw/zinc/95/53/48/1100955348.db2.gz JHYYAZFOAUGNQV-LLVKDONJSA-N 0 0 346.314 2.596 10 5 EFBERN COc1ccc2c(c1)OCC[C@@H]2Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001639536878 1100959892 /nfs/dbraw/zinc/95/98/92/1100959892.db2.gz NEIGSUXICPBFNF-AWEZNQCLSA-N 0 0 343.339 2.638 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1c(F)cccc1F ZINC001639609477 1100966320 /nfs/dbraw/zinc/96/63/20/1100966320.db2.gz LXWIVSSLGLTNSS-TWGQIWQCSA-N 0 0 346.289 2.885 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1c(F)cccc1F ZINC001639609476 1100966716 /nfs/dbraw/zinc/96/67/16/1100966716.db2.gz LXWIVSSLGLTNSS-RMKNXTFCSA-N 0 0 346.289 2.885 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cnc(Cl)cn1 ZINC001141841672 1100977217 /nfs/dbraw/zinc/97/72/17/1100977217.db2.gz MXDMJRVLMNTNQJ-UHFFFAOYSA-N 0 0 349.778 2.547 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC001639714900 1100977389 /nfs/dbraw/zinc/97/73/89/1100977389.db2.gz RQEUXKRNDUQXIY-PIGZYNQJSA-N 0 0 332.331 2.760 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2cnccn2)cc1C ZINC001639719068 1100977667 /nfs/dbraw/zinc/97/76/67/1100977667.db2.gz VKNJGXMXZNUEIV-UHFFFAOYSA-N 0 0 330.344 2.525 10 5 EFBERN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001639811926 1100985841 /nfs/dbraw/zinc/98/58/41/1100985841.db2.gz VFQULSHTYNRFKC-AAEUAGOBSA-N 0 0 332.404 2.860 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC001639848618 1100988370 /nfs/dbraw/zinc/98/83/70/1100988370.db2.gz AGBKKEBGCDVMJB-UAGQMJEPSA-N 0 0 347.415 2.723 10 5 EFBERN Cc1cc(NCc2ccc(S(N)(=O)=O)cc2C)c([N+](=O)[O-])s1 ZINC001639841325 1100988379 /nfs/dbraw/zinc/98/83/79/1100988379.db2.gz GYPZLDVDZSBNBC-UHFFFAOYSA-N 0 0 341.414 2.533 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)OC)cc1 ZINC001639883642 1100992332 /nfs/dbraw/zinc/99/23/32/1100992332.db2.gz LQDNUEYHCOFHBN-UHFFFAOYSA-N 0 0 329.312 2.675 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nc(-c3ccccn3)n[nH]2)c2ccncc21 ZINC001639912115 1100994451 /nfs/dbraw/zinc/99/44/51/1100994451.db2.gz CUVDDPITPIFUKX-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2NCc1nc(-c2ccccn2)n[nH]1 ZINC001639912531 1100994753 /nfs/dbraw/zinc/99/47/53/1100994753.db2.gz XSNAPOQEOIDNLO-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN CCc1noc([C@H]2CC[C@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC001639956523 1100998087 /nfs/dbraw/zinc/99/80/87/1100998087.db2.gz SSIWRUPMEWUWKY-RYUDHWBXSA-N 0 0 344.371 2.915 10 5 EFBERN C=C/C=C\CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC001639962318 1100998161 /nfs/dbraw/zinc/99/81/61/1100998161.db2.gz TWMTVXXZPJOADH-WAYWQWQTSA-N 0 0 345.399 2.774 10 5 EFBERN CCc1noc([C@@H]2CC[C@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC001639956521 1100998374 /nfs/dbraw/zinc/99/83/74/1100998374.db2.gz SSIWRUPMEWUWKY-NEPJUHHUSA-N 0 0 344.371 2.915 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)OCO3)c(N)c1[N+](=O)[O-] ZINC001639997247 1101000883 /nfs/dbraw/zinc/00/08/83/1101000883.db2.gz GCOJORMJVQEFQA-JTQLQIEISA-N 0 0 343.339 2.956 10 5 EFBERN Cc1ccc(NC(=O)CN(C)Cc2ccccc2)c(N)c1[N+](=O)[O-] ZINC001639997444 1101001694 /nfs/dbraw/zinc/00/16/94/1101001694.db2.gz NWQKNQDPIOBALZ-UHFFFAOYSA-N 0 0 328.372 2.556 10 5 EFBERN Cc1ccc(NC(=O)C2(C)CCC3(CC2)OCCO3)c(N)c1[N+](=O)[O-] ZINC001640000883 1101002056 /nfs/dbraw/zinc/00/20/56/1101002056.db2.gz LXXWGNJAOFOTIZ-UHFFFAOYSA-N 0 0 349.387 2.747 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H](CO)Cc1cccnc1 ZINC001640004448 1101002601 /nfs/dbraw/zinc/00/26/01/1101002601.db2.gz AZNRXGVSGGLHLM-CQSZACIVSA-N 0 0 338.367 2.801 10 5 EFBERN O=C(N[C@@H]1CO[C@H]1c1ccccc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001640024950 1101006309 /nfs/dbraw/zinc/00/63/09/1101006309.db2.gz CYGJQRSXHAQMML-TVFCKZIOSA-N 0 0 338.363 2.955 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccnc(Cl)c1F ZINC001640046594 1101008277 /nfs/dbraw/zinc/00/82/77/1101008277.db2.gz RSCOAOJJLMETAX-UHFFFAOYSA-N 0 0 345.664 2.991 10 5 EFBERN COc1ccc(Nc2ccsc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC001640036305 1101008485 /nfs/dbraw/zinc/00/84/85/1101008485.db2.gz SNXKQHLKFXCKSK-UHFFFAOYSA-N 0 0 328.371 2.812 10 5 EFBERN O=C1CC[C@@H](c2cccc(Nc3cc(F)c([N+](=O)[O-])cc3CO)c2)N1 ZINC001640036289 1101008569 /nfs/dbraw/zinc/00/85/69/1101008569.db2.gz SFSLORDKSKBEPX-AWEZNQCLSA-N 0 0 345.330 2.921 10 5 EFBERN C[C@@H]1C[C@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])[C@@H](C)O1 ZINC001640039673 1101008793 /nfs/dbraw/zinc/00/87/93/1101008793.db2.gz PKLZWGMAEQVRBH-GMTAPVOTSA-N 0 0 346.343 2.699 10 5 EFBERN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c2nccn2c1 ZINC001640049122 1101009080 /nfs/dbraw/zinc/00/90/80/1101009080.db2.gz KIPMIQUYOCCCAD-UHFFFAOYSA-N 0 0 346.293 2.759 10 5 EFBERN Cc1cc(CNc2ncc([N+](=O)[O-])cc2Br)cc(=O)[nH]1 ZINC001640051130 1101009795 /nfs/dbraw/zinc/00/97/95/1101009795.db2.gz JZVKJDLQFGFVLD-UHFFFAOYSA-N 0 0 339.149 2.773 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCc3nccc(Br)c3C2)nc1 ZINC001640071332 1101010166 /nfs/dbraw/zinc/01/01/66/1101010166.db2.gz DJLHUKDEMJUVDJ-UHFFFAOYSA-N 0 0 335.161 2.710 10 5 EFBERN CNC(=O)c1ccc(N[C@@H](CCO)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001640075680 1101011060 /nfs/dbraw/zinc/01/10/60/1101011060.db2.gz SVEYANFHPVIOEW-AWEZNQCLSA-N 0 0 347.346 2.629 10 5 EFBERN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@@H](O)c1ccccc1 ZINC001640087907 1101012394 /nfs/dbraw/zinc/01/23/94/1101012394.db2.gz MRBHHDOEISYWBO-WBVHZDCISA-N 0 0 343.383 2.930 10 5 EFBERN O=C(NOc1ccc(F)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001640097903 1101013651 /nfs/dbraw/zinc/01/36/51/1101013651.db2.gz KTIZEQPSMNDWIC-UHFFFAOYSA-N 0 0 342.286 2.848 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC001640093408 1101014085 /nfs/dbraw/zinc/01/40/85/1101014085.db2.gz VWGWYFDJZMYBFJ-IRXDYDNUSA-N 0 0 343.383 2.521 10 5 EFBERN COCOCCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001640105935 1101014711 /nfs/dbraw/zinc/01/47/11/1101014711.db2.gz YNIUGSHOBKYGBL-UHFFFAOYSA-N 0 0 325.752 2.641 10 5 EFBERN COC(=O)c1coc(CNc2ncc([N+](=O)[O-])c3ccccc23)n1 ZINC001640109875 1101014758 /nfs/dbraw/zinc/01/47/58/1101014758.db2.gz OYRCXNYXSQCCJN-UHFFFAOYSA-N 0 0 328.284 2.530 10 5 EFBERN CNc1c(C(=O)Nc2cccc(C3OCCO3)c2)cccc1[N+](=O)[O-] ZINC001640125846 1101016256 /nfs/dbraw/zinc/01/62/56/1101016256.db2.gz SISHJOLKRKZRIY-UHFFFAOYSA-N 0 0 343.339 2.934 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1COCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001640139309 1101016767 /nfs/dbraw/zinc/01/67/67/1101016767.db2.gz BKAZBXXKOPKMGF-ZDUSSCGKSA-N 0 0 342.779 2.795 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc3[nH]c(C)cc(=O)c3c2)n1 ZINC001640151029 1101018311 /nfs/dbraw/zinc/01/83/11/1101018311.db2.gz SCAJCXGIDSKJLI-UHFFFAOYSA-N 0 0 338.323 2.700 10 5 EFBERN Cc1cc(N[C@@H](CO)CCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640157688 1101019497 /nfs/dbraw/zinc/01/94/97/1101019497.db2.gz MUJAURFWLWLMLF-OAHLLOKOSA-N 0 0 344.415 2.991 10 5 EFBERN Cc1noc([C@H](C)N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001640202400 1101021208 /nfs/dbraw/zinc/02/12/08/1101021208.db2.gz MUKLFWBEMSEZJU-LURJTMIESA-N 0 0 342.714 2.912 10 5 EFBERN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001640206893 1101022756 /nfs/dbraw/zinc/02/27/56/1101022756.db2.gz UBCGUWVTXDZHSR-AWEZNQCLSA-N 0 0 344.371 2.804 10 5 EFBERN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H]1C[C@@H]1F ZINC001640276513 1101031743 /nfs/dbraw/zinc/03/17/43/1101031743.db2.gz REEKZKIOOMGXQF-OLZOCXBDSA-N 0 0 348.334 2.740 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2ccnc(-c3ccccn3)n2)c(F)c1 ZINC001640335593 1101036029 /nfs/dbraw/zinc/03/60/29/1101036029.db2.gz CBSHHPRUCLZRFX-UHFFFAOYSA-N 0 0 326.291 2.593 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cnn(CC2CCC2)c1 ZINC001640338788 1101036038 /nfs/dbraw/zinc/03/60/38/1101036038.db2.gz WMJNEYUWLLETEL-LLVKDONJSA-N 0 0 343.387 2.665 10 5 EFBERN O=C1Nc2ccccc2[C@]1(O)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC001640350639 1101037761 /nfs/dbraw/zinc/03/77/61/1101037761.db2.gz MVKAABSKFOMFPV-MRXNPFEDSA-N 0 0 347.758 2.890 10 5 EFBERN Nc1c(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)cc2ccccc2c1[N+](=O)[O-] ZINC001640356163 1101039236 /nfs/dbraw/zinc/03/92/36/1101039236.db2.gz PZTXJSCJWNSMNJ-YUELXQCFSA-N 0 0 341.367 2.628 10 5 EFBERN Cc1ccn2ncc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2c1 ZINC001640362920 1101039504 /nfs/dbraw/zinc/03/95/04/1101039504.db2.gz WFVFFVKGNFIMNP-UHFFFAOYSA-N 0 0 338.367 2.866 10 5 EFBERN COC(=O)c1cnc(N[C@@H]2c3ccccc3OC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001640393054 1101041897 /nfs/dbraw/zinc/04/18/97/1101041897.db2.gz PFPGNLHKHYAQPV-SMDDNHRTSA-N 0 0 347.302 2.660 10 5 EFBERN C[C@H](Cc1cccnc1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001640415484 1101044733 /nfs/dbraw/zinc/04/47/33/1101044733.db2.gz GGZPMBJKDUTKIP-LLVKDONJSA-N 0 0 333.775 2.933 10 5 EFBERN C[C@](CO)(NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC001640410434 1101045127 /nfs/dbraw/zinc/04/51/27/1101045127.db2.gz WVVYINLMYQTCJX-GOSISDBHSA-N 0 0 339.351 2.714 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@]3(OC)CCSC3)c2c1 ZINC001640434988 1101046104 /nfs/dbraw/zinc/04/61/04/1101046104.db2.gz PUOWHTOVMPVNDY-INIZCTEOSA-N 0 0 349.412 2.508 10 5 EFBERN Cc1nnc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1C1CC1 ZINC001640421687 1101046432 /nfs/dbraw/zinc/04/64/32/1101046432.db2.gz JLJOSDRVOHLHBH-UHFFFAOYSA-N 0 0 335.751 2.664 10 5 EFBERN COc1cc(NCc2nc3c([nH]2)CCCC3)c([N+](=O)[O-])cc1OC ZINC001640453279 1101047899 /nfs/dbraw/zinc/04/78/99/1101047899.db2.gz RIMDCKCOAAJDRH-UHFFFAOYSA-N 0 0 332.360 2.826 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC(c3nc(-c4ccccc4)no3)C2)c(F)c1 ZINC001640444545 1101048492 /nfs/dbraw/zinc/04/84/92/1101048492.db2.gz IHRPVTVJJSRKTF-UHFFFAOYSA-N 0 0 341.302 2.783 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(NCCc2c(F)cc(O)cc2F)cc1F ZINC001640449364 1101048531 /nfs/dbraw/zinc/04/85/31/1101048531.db2.gz IUDDOUWSLOPMTP-UHFFFAOYSA-N 0 0 342.273 2.865 10 5 EFBERN Cc1cc2nc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)sc2cc1F ZINC001640459473 1101049461 /nfs/dbraw/zinc/04/94/61/1101049461.db2.gz JVSXBNIQFCPZOX-UHFFFAOYSA-N 0 0 347.331 2.882 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2ccc(F)nc2Br)cn1 ZINC001640468731 1101050171 /nfs/dbraw/zinc/05/01/71/1101050171.db2.gz NVTHNUDYKGNLOX-UHFFFAOYSA-N 0 0 327.113 2.899 10 5 EFBERN COC1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC001640465378 1101050515 /nfs/dbraw/zinc/05/05/15/1101050515.db2.gz WHOLZAPDSULHKA-UHFFFAOYSA-N 0 0 342.220 2.964 10 5 EFBERN C[C@]1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCCCO1 ZINC001640485236 1101052062 /nfs/dbraw/zinc/05/20/62/1101052062.db2.gz QTNBNWPNNWBMGC-MRXNPFEDSA-N 0 0 346.343 2.844 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C2CC2)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC001640493876 1101052586 /nfs/dbraw/zinc/05/25/86/1101052586.db2.gz WOHTYCALWUVTIU-OCCSQVGLSA-N 0 0 349.387 2.702 10 5 EFBERN O=[N+]([O-])c1c(NC[C@H]2CCC=CCCC2)ncnc1N1CCOCC1 ZINC001640517963 1101054582 /nfs/dbraw/zinc/05/45/82/1101054582.db2.gz WRQNYCUEBYSYGW-AWEZNQCLSA-N 0 0 347.419 2.770 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@H]2CCC=CCCC2)ncnc1N1CCOCC1 ZINC001640517964 1101054907 /nfs/dbraw/zinc/05/49/07/1101054907.db2.gz WRQNYCUEBYSYGW-CQSZACIVSA-N 0 0 347.419 2.770 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1ccc2c[nH]nc2c1 ZINC001640535019 1101056036 /nfs/dbraw/zinc/05/60/36/1101056036.db2.gz KEOVBYVLOKAEBV-UHFFFAOYSA-N 0 0 342.330 2.512 10 5 EFBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1c1cnccn1 ZINC001640543143 1101057367 /nfs/dbraw/zinc/05/73/67/1101057367.db2.gz HZJBSINRXNNGQK-NSHDSACASA-N 0 0 333.779 2.753 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCC[C@H]1CCO ZINC001640562346 1101059519 /nfs/dbraw/zinc/05/95/19/1101059519.db2.gz BPCDPELHZJMSDP-ZDUSSCGKSA-N 0 0 340.807 2.944 10 5 EFBERN Nc1c(C(=O)Nc2ccc3c(c2)CCOC3)cc(F)cc1[N+](=O)[O-] ZINC001640607428 1101063208 /nfs/dbraw/zinc/06/32/08/1101063208.db2.gz GNRIFVRFGGTKON-UHFFFAOYSA-N 0 0 331.303 2.641 10 5 EFBERN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001640604594 1101063861 /nfs/dbraw/zinc/06/38/61/1101063861.db2.gz ZYZAQUGMCMTGEF-LBPRGKRZSA-N 0 0 340.383 2.658 10 5 EFBERN COc1ccc(OCC(=O)COc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001640653953 1101069458 /nfs/dbraw/zinc/06/94/58/1101069458.db2.gz IEQNBVWPBKAPQH-UHFFFAOYSA-N 0 0 335.287 2.769 10 5 EFBERN CO[C@H](Cc1ccccc1)CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001640724289 1101074473 /nfs/dbraw/zinc/07/44/73/1101074473.db2.gz HMEADIAWYJAAMP-MRXNPFEDSA-N 0 0 349.408 2.935 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1nc(C(C)(C)C)no1 ZINC001640725276 1101074800 /nfs/dbraw/zinc/07/48/00/1101074800.db2.gz XUBNADSIALRNIN-UHFFFAOYSA-N 0 0 339.373 2.558 10 5 EFBERN COCCN(C(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001640780880 1101078160 /nfs/dbraw/zinc/07/81/60/1101078160.db2.gz VXEVAWHOBIQTQH-UHFFFAOYSA-N 0 0 329.356 2.686 10 5 EFBERN CO[C@H]([C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001640789077 1101078196 /nfs/dbraw/zinc/07/81/96/1101078196.db2.gz HAUTVROQMPGMIN-BJOHPYRUSA-N 0 0 326.780 2.720 10 5 EFBERN Nc1ncc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC001640811739 1101080222 /nfs/dbraw/zinc/08/02/22/1101080222.db2.gz DTIUIGQABNRIEJ-UHFFFAOYSA-N 0 0 346.774 2.731 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2CC3(CCC3)C2)C1=O ZINC001640857203 1101085005 /nfs/dbraw/zinc/08/50/05/1101085005.db2.gz ANUSQXLIWFAYTE-QGZVFWFLSA-N 0 0 343.383 2.942 10 5 EFBERN O=C(N[C@@H]1CCc2ccccc2-n2ccnc21)c1cc([N+](=O)[O-])c[nH]1 ZINC001640892997 1101086420 /nfs/dbraw/zinc/08/64/20/1101086420.db2.gz PXHWRUTWDUKKOU-CYBMUJFWSA-N 0 0 337.339 2.526 10 5 EFBERN O=C(c1ccn2nccc2n1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001640905005 1101086878 /nfs/dbraw/zinc/08/68/78/1101086878.db2.gz WVOKZZVONMMWOU-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN Cc1nn(Cc2cnn(-c3ccccc3)c2)c2ncc([N+](=O)[O-])cc12 ZINC001640950087 1101089931 /nfs/dbraw/zinc/08/99/31/1101089931.db2.gz QPPOFUQCBJPUOZ-UHFFFAOYSA-N 0 0 334.339 2.882 10 5 EFBERN Cc1noc([C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C(C)C)n1 ZINC001640944372 1101090216 /nfs/dbraw/zinc/09/02/16/1101090216.db2.gz LVMLKUSQURJRHF-CQSZACIVSA-N 0 0 343.343 2.895 10 5 EFBERN Cc1nn(CC(=O)Nc2cccc(C)c2C)c2ncc([N+](=O)[O-])cc12 ZINC001640950179 1101090284 /nfs/dbraw/zinc/09/02/84/1101090284.db2.gz VHPXTRHSUHSYPC-UHFFFAOYSA-N 0 0 339.355 2.903 10 5 EFBERN Cc1cnc(OCc2nnc(-c3ccccc3O)o2)c([N+](=O)[O-])c1 ZINC001640955548 1101090961 /nfs/dbraw/zinc/09/09/61/1101090961.db2.gz SBJDHTCIICKEIN-UHFFFAOYSA-N 0 0 328.284 2.633 10 5 EFBERN CCOC(=O)[C@@H]1C[C@H]1COc1c(Br)cccc1[N+](=O)[O-] ZINC001640985926 1101093813 /nfs/dbraw/zinc/09/38/13/1101093813.db2.gz RSTRJXYNPHSJHZ-DTWKUNHWSA-N 0 0 344.161 2.935 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3ncco3)cc2F)c1=O ZINC001641008304 1101095192 /nfs/dbraw/zinc/09/51/92/1101095192.db2.gz MTJAYWMMDZITTF-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN Cc1cc(F)ccc1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001641076341 1101100451 /nfs/dbraw/zinc/10/04/51/1101100451.db2.gz INOCNXLQOBHSAU-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1c2ccccc2C[C@H]1CO ZINC001641154552 1101108837 /nfs/dbraw/zinc/10/88/37/1101108837.db2.gz BXQHZZDPQDQFGP-AWEZNQCLSA-N 0 0 346.770 2.741 10 5 EFBERN COc1cc(COc2cnc(SC)nc2)c([N+](=O)[O-])cc1F ZINC001641190214 1101112880 /nfs/dbraw/zinc/11/28/80/1101112880.db2.gz IUQJQFVDSSMTKS-UHFFFAOYSA-N 0 0 325.321 2.833 10 5 EFBERN CNc1ccc(C(=O)Nc2ccn3cc(C)nc3c2)cc1[N+](=O)[O-] ZINC001641206919 1101113492 /nfs/dbraw/zinc/11/34/92/1101113492.db2.gz GFOPNJAPFAZTGH-UHFFFAOYSA-N 0 0 325.328 2.845 10 5 EFBERN O=C(N[C@@H](c1ccccc1)C(F)F)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641225725 1101115971 /nfs/dbraw/zinc/11/59/71/1101115971.db2.gz WNSWAAQNFAXRIC-UONOGXRCSA-N 0 0 336.294 2.751 10 5 EFBERN Cc1cc(C)n(-c2ccc(Cn3cc([N+](=O)[O-])cc(F)c3=O)cc2)n1 ZINC001641226091 1101116120 /nfs/dbraw/zinc/11/61/20/1101116120.db2.gz LPHYCXDJKSDFOK-UHFFFAOYSA-N 0 0 342.330 2.746 10 5 EFBERN COC(=O)[C@H]1CCCC[C@@H]1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001641233217 1101117111 /nfs/dbraw/zinc/11/71/11/1101117111.db2.gz MSBXSXHWEILWDC-KGLIPLIRSA-N 0 0 348.399 2.615 10 5 EFBERN Cc1cc(OCC(=O)O[C@H]2CCCC(C)(C)C2=O)ccc1[N+](=O)[O-] ZINC000840541725 1101126244 /nfs/dbraw/zinc/12/62/44/1101126244.db2.gz MPRLHZRSXIYFLG-AWEZNQCLSA-N 0 0 335.356 2.973 10 5 EFBERN CNc1ccc(C(=O)NCc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC001641378968 1101130263 /nfs/dbraw/zinc/13/02/63/1101130263.db2.gz LFOHECJAEGYQHY-UHFFFAOYSA-N 0 0 327.340 2.769 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(C)=O)c1 ZINC001641378608 1101130939 /nfs/dbraw/zinc/13/09/39/1101130939.db2.gz AUXHPCGFIVDKMJ-UHFFFAOYSA-N 0 0 327.340 2.769 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC001641391742 1101131855 /nfs/dbraw/zinc/13/18/55/1101131855.db2.gz UUASBLWJXGMMPM-GFCCVEGCSA-N 0 0 326.356 2.592 10 5 EFBERN Cc1cc(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)c(N)c([N+](=O)[O-])c1 ZINC001641421107 1101134280 /nfs/dbraw/zinc/13/42/80/1101134280.db2.gz BYJRHYPZLHBWEW-AWEZNQCLSA-N 0 0 345.359 2.633 10 5 EFBERN C/C(=C/C(=O)N(C[C@@H]1CCC(=O)N1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000840559995 1101135931 /nfs/dbraw/zinc/13/59/31/1101135931.db2.gz ONEKOFRWJVAMGN-WVUXNXBLSA-N 0 0 345.399 2.514 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@H](CO)c2ccccn2)cc1[N+](=O)[O-] ZINC001641451084 1101137747 /nfs/dbraw/zinc/13/77/47/1101137747.db2.gz LPVAULARSHNZLC-HNNXBMFYSA-N 0 0 329.356 2.577 10 5 EFBERN Nc1ncc(C(=O)NCc2cc(C3CC3)ccc2F)cc1[N+](=O)[O-] ZINC001641481924 1101140830 /nfs/dbraw/zinc/14/08/30/1101140830.db2.gz HPESWLKNEAQUPC-UHFFFAOYSA-N 0 0 330.319 2.519 10 5 EFBERN COC(=O)c1cncc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC001641480923 1101141164 /nfs/dbraw/zinc/14/11/64/1101141164.db2.gz DRLZIZHBSBQTNF-UHFFFAOYSA-N 0 0 338.323 2.688 10 5 EFBERN Cc1cccc(CONC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001641575049 1101147231 /nfs/dbraw/zinc/14/72/31/1101147231.db2.gz JGADDUXJZZDIOU-UHFFFAOYSA-N 0 0 344.371 2.738 10 5 EFBERN Cc1cccc(CONC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001641580561 1101148807 /nfs/dbraw/zinc/14/88/07/1101148807.db2.gz QVSQWHXTOHEQTM-UHFFFAOYSA-N 0 0 339.710 2.952 10 5 EFBERN CCO/C=C\C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000840587027 1101151569 /nfs/dbraw/zinc/15/15/69/1101151569.db2.gz IQNCNVKGMDBTGI-ATJFRQLMSA-N 0 0 342.735 2.669 10 5 EFBERN CCO/C=C\C(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840587388 1101151571 /nfs/dbraw/zinc/15/15/71/1101151571.db2.gz IMDQBACIXLIZJC-SREVYHEPSA-N 0 0 330.134 2.951 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1[C@@H]1CCC(=O)N1 ZINC001641658772 1101154472 /nfs/dbraw/zinc/15/44/72/1101154472.db2.gz XDAKBBICUYPSIO-INIZCTEOSA-N 0 0 339.351 2.727 10 5 EFBERN CC[C@H]1COCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC001641794913 1101165905 /nfs/dbraw/zinc/16/59/05/1101165905.db2.gz GAWKMHDBZCRTOP-NSHDSACASA-N 0 0 329.194 2.968 10 5 EFBERN CNc1ccc(C(=O)Nc2cccc(C(C)=O)c2O)cc1[N+](=O)[O-] ZINC001641845041 1101169558 /nfs/dbraw/zinc/16/95/58/1101169558.db2.gz QSVANVITZRCUIE-UHFFFAOYSA-N 0 0 329.312 2.797 10 5 EFBERN CCCN1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001641954633 1101178388 /nfs/dbraw/zinc/17/83/88/1101178388.db2.gz TYBSXKGYPGMRDQ-UHFFFAOYSA-N 0 0 328.210 2.889 10 5 EFBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1O ZINC001642001200 1101181796 /nfs/dbraw/zinc/18/17/96/1101181796.db2.gz GCYBIVYMYNCIBU-UHFFFAOYSA-N 0 0 340.694 2.729 10 5 EFBERN O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001642008629 1101182272 /nfs/dbraw/zinc/18/22/72/1101182272.db2.gz KKQPLARMUGETGY-OWCLPIDISA-N 0 0 330.290 2.941 10 5 EFBERN Nc1ccc(NC(=O)c2scnc2Br)cc1[N+](=O)[O-] ZINC001642045106 1101184823 /nfs/dbraw/zinc/18/48/23/1101184823.db2.gz JOLCGTLNZGJSEG-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN COc1cccc(OCCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001642045280 1101184830 /nfs/dbraw/zinc/18/48/30/1101184830.db2.gz NEAOSNPCRHOHPF-UHFFFAOYSA-N 0 0 331.328 2.593 10 5 EFBERN Cc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC001642041903 1101184890 /nfs/dbraw/zinc/18/48/90/1101184890.db2.gz DJWFBTNDYNDHQV-CQSZACIVSA-N 0 0 336.294 2.645 10 5 EFBERN O=c1[nH]ccc(NCc2ccnc(OCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC001642072614 1101187715 /nfs/dbraw/zinc/18/77/15/1101187715.db2.gz KOBUQMPDVPLZBZ-UHFFFAOYSA-N 0 0 344.249 2.644 10 5 EFBERN Cc1cc(NCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])s1 ZINC001642140482 1101192078 /nfs/dbraw/zinc/19/20/78/1101192078.db2.gz RLCYDBHKDVEYDF-UHFFFAOYSA-N 0 0 331.353 2.673 10 5 EFBERN C[C@H](c1ccccc1)[C@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001642163473 1101194614 /nfs/dbraw/zinc/19/46/14/1101194614.db2.gz KIDPLXMXKSEJQF-VICKLXILSA-N 0 0 340.379 2.889 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001642182439 1101195996 /nfs/dbraw/zinc/19/59/96/1101195996.db2.gz UDJWGKZAKUBBFC-QMMMGPOBSA-N 0 0 327.344 2.907 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nc3cc(Br)cnc3[nH]2)cn1 ZINC001642285586 1101203721 /nfs/dbraw/zinc/20/37/21/1101203721.db2.gz BCXVSBPJVFDGPB-UHFFFAOYSA-N 0 0 349.148 2.636 10 5 EFBERN Cc1ccc(Oc2ccc(Nc3nn(C)cc3[N+](=O)[O-])cc2)nn1 ZINC001642288696 1101204361 /nfs/dbraw/zinc/20/43/61/1101204361.db2.gz LAUVKTRJCTVCKH-UHFFFAOYSA-N 0 0 326.316 2.963 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)NOCc2ccccn2)cc1SC ZINC001642329410 1101206406 /nfs/dbraw/zinc/20/64/06/1101206406.db2.gz YHVKRMDKJVXGTP-UHFFFAOYSA-N 0 0 349.368 2.582 10 5 EFBERN NC(=O)N1CCC[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001642348539 1101208565 /nfs/dbraw/zinc/20/85/65/1101208565.db2.gz XFWXRMPNZHHAFB-SSDOTTSWSA-N 0 0 333.175 2.857 10 5 EFBERN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001642410994 1101211707 /nfs/dbraw/zinc/21/17/07/1101211707.db2.gz RQGKNDBKVKXLEJ-CABCVRRESA-N 0 0 340.383 2.980 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1CCc2n[nH]cc2C1 ZINC001642471387 1101216525 /nfs/dbraw/zinc/21/65/25/1101216525.db2.gz BYQKRCWRKBMROI-SNVBAGLBSA-N 0 0 343.774 2.911 10 5 EFBERN CCOc1cc(N[C@@H](Cc2ccccc2)C(=O)NC)ccc1[N+](=O)[O-] ZINC001642565056 1101224457 /nfs/dbraw/zinc/22/44/57/1101224457.db2.gz IWJRFTDXGYPESH-HNNXBMFYSA-N 0 0 343.383 2.763 10 5 EFBERN O=C(CN1CCc2c1cccc2[N+](=O)[O-])Nc1ccc(Cl)nc1 ZINC001642579832 1101224465 /nfs/dbraw/zinc/22/44/65/1101224465.db2.gz AWVCPYBDCIITQZ-UHFFFAOYSA-N 0 0 332.747 2.644 10 5 EFBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC001642609507 1101226644 /nfs/dbraw/zinc/22/66/44/1101226644.db2.gz UEWPTGMQWJMZIS-SNVBAGLBSA-N 0 0 343.339 2.706 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCc2ccccc2Br)n1 ZINC001642652385 1101230543 /nfs/dbraw/zinc/23/05/43/1101230543.db2.gz PPZVQXKFXGTHGY-UHFFFAOYSA-N 0 0 325.166 2.745 10 5 EFBERN CN(CCc1nc(-c2ccccc2)no1)c1ncc([N+](=O)[O-])cc1F ZINC001642680414 1101232126 /nfs/dbraw/zinc/23/21/26/1101232126.db2.gz FZGYMRBVDTUBQT-UHFFFAOYSA-N 0 0 343.318 2.858 10 5 EFBERN C[C@@](CO)(NC(=O)c1cnc(C2CC2)s1)c1cccc([N+](=O)[O-])c1 ZINC001642690883 1101233110 /nfs/dbraw/zinc/23/31/10/1101233110.db2.gz BOZQGEIENLGOCA-INIZCTEOSA-N 0 0 347.396 2.566 10 5 EFBERN C[C@H](Cc1cccc(F)c1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001642782720 1101241245 /nfs/dbraw/zinc/24/12/45/1101241245.db2.gz LRNYCRQUULCHAL-LLVKDONJSA-N 0 0 331.347 2.900 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3cc(C)[nH]c(=O)c3)c2c1 ZINC001642823509 1101244909 /nfs/dbraw/zinc/24/49/09/1101244909.db2.gz JETUJXALZBWIDB-UHFFFAOYSA-N 0 0 340.339 2.595 10 5 EFBERN COC(=O)c1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])s1 ZINC001642827067 1101245907 /nfs/dbraw/zinc/24/59/07/1101245907.db2.gz IPRPICQVFMQNLV-UHFFFAOYSA-N 0 0 337.313 2.963 10 5 EFBERN O=C(NCc1ccnc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001642840392 1101246387 /nfs/dbraw/zinc/24/63/87/1101246387.db2.gz PTNKBDANXNDDFO-UHFFFAOYSA-N 0 0 336.145 2.682 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN[C@@H](c2ccccc2)C1 ZINC001642843791 1101247737 /nfs/dbraw/zinc/24/77/37/1101247737.db2.gz XEWRBRAPQUKWAO-VEGGFIAOSA-N 0 0 337.379 2.781 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN[C@H](c2ccccc2)C1 ZINC001642843790 1101247918 /nfs/dbraw/zinc/24/79/18/1101247918.db2.gz XEWRBRAPQUKWAO-MZEUMTGBSA-N 0 0 337.379 2.781 10 5 EFBERN CCc1csc([C@H](C)Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])n1 ZINC001642845561 1101247946 /nfs/dbraw/zinc/24/79/46/1101247946.db2.gz MUFTZTFLNJPDNK-QMMMGPOBSA-N 0 0 336.373 2.968 10 5 EFBERN CC(C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)=C1CCC1 ZINC001642856079 1101248982 /nfs/dbraw/zinc/24/89/82/1101248982.db2.gz LDWCODVCINMIKR-UHFFFAOYSA-N 0 0 329.400 2.739 10 5 EFBERN CC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC001642873628 1101251507 /nfs/dbraw/zinc/25/15/07/1101251507.db2.gz IWXMWDNCKWHJQF-UHFFFAOYSA-N 0 0 348.380 2.813 10 5 EFBERN O=c1cc(CNc2ccc3cnccc3c2[N+](=O)[O-])nc2ccccn12 ZINC001642881651 1101252952 /nfs/dbraw/zinc/25/29/52/1101252952.db2.gz IRSFCVRGJXUPGG-UHFFFAOYSA-N 0 0 347.334 2.763 10 5 EFBERN COc1ccc(-c2cc(CNc3nn(C)cc3[N+](=O)[O-])on2)cc1 ZINC001642915163 1101254984 /nfs/dbraw/zinc/25/49/84/1101254984.db2.gz PPQSPPWBXMNPKC-UHFFFAOYSA-N 0 0 329.316 2.604 10 5 EFBERN Cc1nc(C)c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)o1 ZINC001642920290 1101256373 /nfs/dbraw/zinc/25/63/73/1101256373.db2.gz HYGUJDZHQNGODJ-UHFFFAOYSA-N 0 0 327.699 2.922 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(=O)[nH]c3c2CCCC3)cc1[N+](=O)[O-] ZINC001642929801 1101257541 /nfs/dbraw/zinc/25/75/41/1101257541.db2.gz SPXMPRFBUCZWQD-UHFFFAOYSA-N 0 0 341.367 2.813 10 5 EFBERN Cc1ccc(CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)cc1[N+](=O)[O-] ZINC001642929931 1101257544 /nfs/dbraw/zinc/25/75/44/1101257544.db2.gz ZDLXAVVQGRGQOA-SNVBAGLBSA-N 0 0 328.372 2.681 10 5 EFBERN COc1ncc(CCNc2ccc3ncccc3c2[N+](=O)[O-])cn1 ZINC001643002222 1101263092 /nfs/dbraw/zinc/26/30/92/1101263092.db2.gz DMUAMOYTPOOLJQ-UHFFFAOYSA-N 0 0 325.328 2.596 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[C@H](O)C1CCCC1 ZINC001643082537 1101270020 /nfs/dbraw/zinc/27/00/20/1101270020.db2.gz SXUDXRBSSGYODF-KRWDZBQOSA-N 0 0 347.415 2.840 10 5 EFBERN Cc1ccnc([C@@H](C)NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001643129026 1101273632 /nfs/dbraw/zinc/27/36/32/1101273632.db2.gz ZYDUDCQLICQSNG-SNVBAGLBSA-N 0 0 334.763 2.767 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC(O)(c2ccc(F)cc2)C1 ZINC001643137686 1101274381 /nfs/dbraw/zinc/27/43/81/1101274381.db2.gz MLZTYAZKABEGHT-UHFFFAOYSA-N 0 0 339.326 2.990 10 5 EFBERN CCSc1ccccc1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001643156362 1101275775 /nfs/dbraw/zinc/27/57/75/1101275775.db2.gz IBMWIZORBUCDIA-UHFFFAOYSA-N 0 0 346.412 2.855 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@H]2CCCN2CC(F)(F)F)nc2ccccn21 ZINC001643156366 1101276054 /nfs/dbraw/zinc/27/60/54/1101276054.db2.gz IFTLKJHJXXLXGB-JTQLQIEISA-N 0 0 343.309 2.681 10 5 EFBERN NC(=O)c1cc(NCCc2ccc3ncccc3c2)ccc1[N+](=O)[O-] ZINC001643179566 1101276812 /nfs/dbraw/zinc/27/68/12/1101276812.db2.gz FFRFSCRUKGZFTE-UHFFFAOYSA-N 0 0 336.351 2.897 10 5 EFBERN CC(C)(CNc1ncc([N+](=O)[O-])c2ccccc21)CS(C)(=O)=O ZINC001643160622 1101277117 /nfs/dbraw/zinc/27/71/17/1101277117.db2.gz ZOWMUZJIYZUAQI-UHFFFAOYSA-N 0 0 337.401 2.626 10 5 EFBERN CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2s1)CS(C)(=O)=O ZINC001643159780 1101277192 /nfs/dbraw/zinc/27/71/92/1101277192.db2.gz JEXBRNPPSIVSRT-UHFFFAOYSA-N 0 0 343.430 2.687 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2ncccn2)C1 ZINC001643193402 1101278904 /nfs/dbraw/zinc/27/89/04/1101278904.db2.gz DDCXCTPGFRLDGX-LLVKDONJSA-N 0 0 329.316 2.677 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](c2ncccn2)C2CC2)c1[N+](=O)[O-] ZINC001643214437 1101281115 /nfs/dbraw/zinc/28/11/15/1101281115.db2.gz YAEPLIXHLKFLDA-LBPRGKRZSA-N 0 0 343.343 2.520 10 5 EFBERN Cn1nccc1[C@@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001643223433 1101281905 /nfs/dbraw/zinc/28/19/05/1101281905.db2.gz PNGOVODZGURKRB-HNNXBMFYSA-N 0 0 339.355 2.536 10 5 EFBERN CNS(=O)(=O)c1ccc(SCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC001643236917 1101283880 /nfs/dbraw/zinc/28/38/80/1101283880.db2.gz DYXDWXPEOVRUTB-UHFFFAOYSA-N 0 0 342.398 2.697 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC(NCC(F)(F)F)C1 ZINC001643262116 1101284485 /nfs/dbraw/zinc/28/44/85/1101284485.db2.gz PGLJCRGAEPXUOQ-UHFFFAOYSA-N 0 0 334.254 2.598 10 5 EFBERN CCC(=O)c1ccc(N2CCC([C@@H]3COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001643260179 1101284659 /nfs/dbraw/zinc/28/46/59/1101284659.db2.gz SQUZIRCZIBTNGY-ZDUSSCGKSA-N 0 0 347.371 2.512 10 5 EFBERN Cc1ccc(C(=O)Nc2ccc3[nH]c(C(N)=O)cc3c2)cc1[N+](=O)[O-] ZINC001643258143 1101284967 /nfs/dbraw/zinc/28/49/67/1101284967.db2.gz JVDBNOYVDSIWLF-UHFFFAOYSA-N 0 0 338.323 2.736 10 5 EFBERN COC(=O)c1ccnc(Oc2cccc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001643265935 1101286063 /nfs/dbraw/zinc/28/60/63/1101286063.db2.gz RSIYPFHLMMGRJO-UHFFFAOYSA-N 0 0 343.217 2.983 10 5 EFBERN CCc1noc([C@H]2CC[C@H](Nc3c(Cl)cncc3[N+](=O)[O-])C2)n1 ZINC001643265570 1101286109 /nfs/dbraw/zinc/28/61/09/1101286109.db2.gz FUROTAHPVDPWBG-IUCAKERBSA-N 0 0 337.767 2.759 10 5 EFBERN COC(=O)c1cnc(NC2CC3(C2)COC(C)(C)C3)c([N+](=O)[O-])c1 ZINC001643279316 1101287269 /nfs/dbraw/zinc/28/72/69/1101287269.db2.gz ZNSXOLPMPFPWHN-UHFFFAOYSA-N 0 0 335.360 2.536 10 5 EFBERN COC(=O)c1ccc2c(c1)OCCN(c1ccc([N+](=O)[O-])cc1)C2 ZINC001643298223 1101288531 /nfs/dbraw/zinc/28/85/31/1101288531.db2.gz CGCZYUVSQTYDTR-UHFFFAOYSA-N 0 0 328.324 2.780 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1N1CC(c2n[nH]c3c2COCC3)C1 ZINC001643311168 1101289424 /nfs/dbraw/zinc/28/94/24/1101289424.db2.gz JUKVCAJXHXSBKM-UHFFFAOYSA-N 0 0 334.763 2.648 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001643319809 1101290384 /nfs/dbraw/zinc/29/03/84/1101290384.db2.gz MNKMPQVTLDMPMH-LLVKDONJSA-N 0 0 339.396 2.528 10 5 EFBERN C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1c1cnccn1 ZINC001643319764 1101290630 /nfs/dbraw/zinc/29/06/30/1101290630.db2.gz LDBNFZWRIUBFTO-LLVKDONJSA-N 0 0 333.779 2.753 10 5 EFBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)c1ccccc1 ZINC001643378932 1101293873 /nfs/dbraw/zinc/29/38/73/1101293873.db2.gz GQIZROXAXKLJEW-CQSZACIVSA-N 0 0 342.351 2.995 10 5 EFBERN CC[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001643376181 1101294593 /nfs/dbraw/zinc/29/45/93/1101294593.db2.gz MBORUSZYEWNFNX-AWEZNQCLSA-N 0 0 327.340 2.568 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1CSc1nnnn1-c1ccc(O)cc1 ZINC001643433899 1101297625 /nfs/dbraw/zinc/29/76/25/1101297625.db2.gz JVNXKERXFWIEMH-UHFFFAOYSA-N 0 0 347.331 2.708 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC001643419947 1101297950 /nfs/dbraw/zinc/29/79/50/1101297950.db2.gz XWFQEWOPAQELON-UHFFFAOYSA-N 0 0 346.314 2.664 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2c(cccc2F)[nH]1 ZINC001643459568 1101300699 /nfs/dbraw/zinc/30/06/99/1101300699.db2.gz XHDWZDDZULMNDH-UHFFFAOYSA-N 0 0 344.302 2.549 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cn(C)nc1C(F)F ZINC001643509492 1101304858 /nfs/dbraw/zinc/30/48/58/1101304858.db2.gz MOAKJFLPFHXYQE-UHFFFAOYSA-N 0 0 345.327 2.548 10 5 EFBERN CC1(C)C[C@H](O)CN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001651333928 1101311915 /nfs/dbraw/zinc/31/19/15/1101311915.db2.gz NRTWQCMEIWPCNH-VIFPVBQESA-N 0 0 329.194 2.955 10 5 EFBERN CCOC(=O)c1cc(CNc2nccc3c2cccc3[N+](=O)[O-])on1 ZINC001651346201 1101314671 /nfs/dbraw/zinc/31/46/71/1101314671.db2.gz YCDQOQGDEBGLPX-UHFFFAOYSA-N 0 0 342.311 2.920 10 5 EFBERN CNC(=O)c1ccc(NCc2nc3c(cccc3F)[nH]2)c([N+](=O)[O-])c1 ZINC001651364504 1101317796 /nfs/dbraw/zinc/31/77/96/1101317796.db2.gz ZCFVWJRCWKXOKP-UHFFFAOYSA-N 0 0 343.318 2.582 10 5 EFBERN NC(=O)c1cc(N2CCc3cc(F)c(F)cc3C2)ccc1[N+](=O)[O-] ZINC001651368225 1101319072 /nfs/dbraw/zinc/31/90/72/1101319072.db2.gz DFDVJBYGYWAPGR-UHFFFAOYSA-N 0 0 333.294 2.535 10 5 EFBERN Cc1cnc(Nc2cccc([C@]3(C)COC(=O)N3)c2)c([N+](=O)[O-])c1 ZINC001651372875 1101319179 /nfs/dbraw/zinc/31/91/79/1101319179.db2.gz CQIQLDWMWXJHGZ-INIZCTEOSA-N 0 0 328.328 2.997 10 5 EFBERN O=[N+]([O-])c1c(NC[C@H](O)Cc2cccc(Cl)c2)nc2ccccn21 ZINC001651386639 1101319999 /nfs/dbraw/zinc/31/99/99/1101319999.db2.gz QXFSOLDYCMGTHM-CYBMUJFWSA-N 0 0 346.774 2.911 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2nc(Cc3ccccc3F)no2)s1 ZINC001651405840 1101323508 /nfs/dbraw/zinc/32/35/08/1101323508.db2.gz DIWQZHLGCOWMFP-UHFFFAOYSA-N 0 0 335.320 2.776 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCc3cnc4n3CCC4)c2c1 ZINC001651421046 1101326294 /nfs/dbraw/zinc/32/62/94/1101326294.db2.gz NELKVNRHXNSQKH-UHFFFAOYSA-N 0 0 344.762 2.946 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(C)CCOC3(CCC3)C2)n1 ZINC001651429980 1101329283 /nfs/dbraw/zinc/32/92/83/1101329283.db2.gz QULBHSAJTGGKRP-INIZCTEOSA-N 0 0 349.387 2.928 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](c3ncccn3)C3CC3)cc2N1 ZINC001651440862 1101330464 /nfs/dbraw/zinc/33/04/64/1101330464.db2.gz NTOHSVRNFUHEGM-INIZCTEOSA-N 0 0 339.355 2.833 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](CCO)C2CCCC2)c1[N+](=O)[O-] ZINC001651460699 1101331935 /nfs/dbraw/zinc/33/19/35/1101331935.db2.gz VKDWZQIDDVNLQY-ZDUSSCGKSA-N 0 0 337.376 2.520 10 5 EFBERN COc1cc(CN(C)c2ncnc3cccc([N+](=O)[O-])c32)sn1 ZINC001651455095 1101333033 /nfs/dbraw/zinc/33/30/33/1101333033.db2.gz TXPBHSAFYZVZLS-UHFFFAOYSA-N 0 0 331.357 2.640 10 5 EFBERN CCOC(=O)c1oc2ccccc2c1CNc1nn(C)cc1[N+](=O)[O-] ZINC001651475250 1101334765 /nfs/dbraw/zinc/33/47/65/1101334765.db2.gz GVCVVTRCGSNGEG-UHFFFAOYSA-N 0 0 344.327 2.863 10 5 EFBERN Cc1ccc(OCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(C)c1 ZINC001651462630 1101335155 /nfs/dbraw/zinc/33/51/55/1101335155.db2.gz JVDZYYMKXUDNTC-UHFFFAOYSA-N 0 0 329.356 2.801 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)NC(=O)C2 ZINC001625793011 1101336703 /nfs/dbraw/zinc/33/67/03/1101336703.db2.gz HCNCNUFIZOJZNV-UHFFFAOYSA-N 0 0 345.742 2.924 10 5 EFBERN COC(=O)/C(C)=C/COC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000748161605 1101336765 /nfs/dbraw/zinc/33/67/65/1101336765.db2.gz NEWXSNKBENTGQB-RMKNXTFCSA-N 0 0 325.342 2.593 10 5 EFBERN Cc1cc(N[C@H]2CON(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC001651485445 1101336929 /nfs/dbraw/zinc/33/69/29/1101336929.db2.gz ZJNLQGHCLHTSDH-SECBINFHSA-N 0 0 329.378 2.928 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN(C)c2ccccc2)c1 ZINC001651500434 1101339205 /nfs/dbraw/zinc/33/92/05/1101339205.db2.gz NJEHOQSSVKHBPE-UHFFFAOYSA-N 0 0 343.383 2.954 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C(C)(C)c1cnn(C)c1 ZINC000784928255 1101339474 /nfs/dbraw/zinc/33/94/74/1101339474.db2.gz GIRGMAKJYOIZKB-UHFFFAOYSA-N 0 0 347.371 2.537 10 5 EFBERN CN(Cc1cc(-c2ccccc2)n[nH]1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001651504391 1101339437 /nfs/dbraw/zinc/33/94/37/1101339437.db2.gz KLVKARRAONEJMV-UHFFFAOYSA-N 0 0 325.328 2.722 10 5 EFBERN COC(=O)C1CCC(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001651503615 1101339771 /nfs/dbraw/zinc/33/97/71/1101339771.db2.gz POGQLBORPCILDQ-UHFFFAOYSA-N 0 0 347.346 2.848 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(Nc3cnn(CC(F)(F)F)c3)nc2c1 ZINC001651513997 1101341707 /nfs/dbraw/zinc/34/17/07/1101341707.db2.gz INPGTOCRTTVBKN-UHFFFAOYSA-N 0 0 326.238 2.974 10 5 EFBERN CCOC(OCC)[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001651532591 1101344501 /nfs/dbraw/zinc/34/45/01/1101344501.db2.gz LEMYMTPUNLFKGM-LLVKDONJSA-N 0 0 327.381 2.977 10 5 EFBERN NC(=O)c1ccnc(N[C@H](c2ccc(F)cc2F)C2CC2)c1[N+](=O)[O-] ZINC001651577931 1101352200 /nfs/dbraw/zinc/35/22/00/1101352200.db2.gz UXXYFMSVKMZYBA-ZDUSSCGKSA-N 0 0 348.309 2.930 10 5 EFBERN Cc1ccnc(-c2noc(COc3ccc(C=O)cc3[N+](=O)[O-])n2)c1 ZINC001651599513 1101353228 /nfs/dbraw/zinc/35/32/28/1101353228.db2.gz PQDBZMKXMVLIHA-UHFFFAOYSA-N 0 0 340.295 2.740 10 5 EFBERN Cc1nc(N2CCCC[C@H]2c2noc(C(C)C)n2)ncc1[N+](=O)[O-] ZINC001651590025 1101353454 /nfs/dbraw/zinc/35/34/54/1101353454.db2.gz KIQFSGUAHYOPCB-NSHDSACASA-N 0 0 332.364 2.931 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCc2cccc(F)c21 ZINC001651624426 1101356926 /nfs/dbraw/zinc/35/69/26/1101356926.db2.gz ARBUMNGSWMHOPW-UHFFFAOYSA-N 0 0 336.344 2.832 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCC(C)(C)C(=O)OC)cc1C ZINC001651641912 1101359061 /nfs/dbraw/zinc/35/90/61/1101359061.db2.gz YEVKIMVZPSGPGW-UHFFFAOYSA-N 0 0 338.360 2.691 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@H]1CCc2c[nH]nc2C1 ZINC001651647742 1101361892 /nfs/dbraw/zinc/36/18/92/1101361892.db2.gz RXEAKNXBJJGPCT-NSHDSACASA-N 0 0 343.774 2.911 10 5 EFBERN COc1ncccc1C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000784934319 1101362011 /nfs/dbraw/zinc/36/20/11/1101362011.db2.gz MUFGXNXFTSFIPH-UHFFFAOYSA-N 0 0 334.353 2.948 10 5 EFBERN CC(C)[C@@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCO1 ZINC001651687498 1101369815 /nfs/dbraw/zinc/36/98/15/1101369815.db2.gz MKFIPGBHJXLLNW-HNNXBMFYSA-N 0 0 346.343 2.912 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1CCC2(C1)OCCO2 ZINC001651692812 1101369940 /nfs/dbraw/zinc/36/99/40/1101369940.db2.gz MYNHWLITXDLIER-JTQLQIEISA-N 0 0 349.774 2.926 10 5 EFBERN CN(CC1CCOCC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651704520 1101371963 /nfs/dbraw/zinc/37/19/63/1101371963.db2.gz GDQWUNZJRFOTOH-UHFFFAOYSA-N 0 0 346.343 2.914 10 5 EFBERN C[C@H]1Cc2n[nH]cc2CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001651748415 1101376745 /nfs/dbraw/zinc/37/67/45/1101376745.db2.gz VTKFJKAAFWMTJL-VIFPVBQESA-N 0 0 334.763 2.806 10 5 EFBERN CSC(C)(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651755766 1101379800 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COc1ccc([N+](=O)[O-])c(NCCCNC(=O)c2ccccc2)c1 ZINC000338659919 141658164 /nfs/dbraw/zinc/65/81/64/141658164.db2.gz CPHUFWVXUHBSMF-UHFFFAOYSA-N 0 0 329.356 2.835 10 5 EFBERN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccnn3C)cc2[N+](=O)[O-])C1 ZINC000338667120 141659134 /nfs/dbraw/zinc/65/91/34/141659134.db2.gz HFASMESUCXPWDN-LBPRGKRZSA-N 0 0 343.387 2.817 10 5 EFBERN Cc1cccc(N(C)Cc2nc(-c3cccnc3)no2)c1[N+](=O)[O-] ZINC000338674910 141660440 /nfs/dbraw/zinc/66/04/40/141660440.db2.gz QSZZJWHXYJHCCO-UHFFFAOYSA-N 0 0 325.328 2.985 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000338723974 141667728 /nfs/dbraw/zinc/66/77/28/141667728.db2.gz ZSUZZOKXXHWJIW-LLVKDONJSA-N 0 0 330.344 2.858 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000338840663 141684179 /nfs/dbraw/zinc/68/41/79/141684179.db2.gz KUNCLJGEQSVNHA-USXIJHARSA-N 0 0 344.371 2.825 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000340029873 141731528 /nfs/dbraw/zinc/73/15/28/141731528.db2.gz MRRHRXLEFBCHAO-AWEZNQCLSA-N 0 0 345.355 2.620 10 5 EFBERN Cc1nn(-c2ccccc2)cc1CCCNc1ccncc1[N+](=O)[O-] ZINC000340149502 141750441 /nfs/dbraw/zinc/75/04/41/141750441.db2.gz BBRWDXHVROHGFJ-UHFFFAOYSA-N 0 0 337.383 2.951 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1coc(Br)c1 ZINC000340248092 141768120 /nfs/dbraw/zinc/76/81/20/141768120.db2.gz FGFJGLBAEOXIQO-UHFFFAOYSA-N 0 0 325.118 2.880 10 5 EFBERN CN(CC(=O)N[C@@H](c1cccnc1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000340388391 141793280 /nfs/dbraw/zinc/79/32/80/141793280.db2.gz AEQVIIPNDNCIAV-GOSISDBHSA-N 0 0 340.383 2.694 10 5 EFBERN COc1ccc(CNc2ccc(N3CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000341511813 141823369 /nfs/dbraw/zinc/82/33/69/141823369.db2.gz LRIJAFBPDADGIO-UHFFFAOYSA-N 0 0 327.340 2.952 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1ccc(F)cc1 ZINC000341602429 141837519 /nfs/dbraw/zinc/83/75/19/141837519.db2.gz CFFNWNKINKYYMH-UHFFFAOYSA-N 0 0 332.287 2.954 10 5 EFBERN O=C(NCc1ccn(Cc2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000341746393 141859557 /nfs/dbraw/zinc/85/95/57/141859557.db2.gz SKQUQDZVDMTIBL-UHFFFAOYSA-N 0 0 336.351 2.770 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000341912053 141888025 /nfs/dbraw/zinc/88/80/25/141888025.db2.gz BAHABKXBYOYYRD-DOMZBBRYSA-N 0 0 329.356 2.689 10 5 EFBERN COC(=O)CSCc1cccc(Nc2ccncc2[N+](=O)[O-])c1 ZINC000343524628 142012079 /nfs/dbraw/zinc/01/20/79/142012079.db2.gz USXDUGFWFDGFGU-UHFFFAOYSA-N 0 0 333.369 2.562 10 5 EFBERN O=C(Nc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344432646 142015948 /nfs/dbraw/zinc/01/59/48/142015948.db2.gz LQJUQXKNWBEETP-UHFFFAOYSA-N 0 0 344.346 2.984 10 5 EFBERN COC(=O)CCCOc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000344433845 142016234 /nfs/dbraw/zinc/01/62/34/142016234.db2.gz NGUJSJACKUXMAW-UHFFFAOYSA-N 0 0 345.355 2.934 10 5 EFBERN Cc1ccc2[nH]c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)nc2c1 ZINC000344487823 142026686 /nfs/dbraw/zinc/02/66/86/142026686.db2.gz VZIXCPAKCLIBEC-UHFFFAOYSA-N 0 0 329.291 2.753 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@](C)(CO)c1ccc(O)cc1 ZINC000344552991 142039076 /nfs/dbraw/zinc/03/90/76/142039076.db2.gz NBSRILLRNWSDDW-QGZVFWFLSA-N 0 0 345.355 2.638 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000344566880 142041688 /nfs/dbraw/zinc/04/16/88/142041688.db2.gz BFQDGIZZVWLXHC-UHFFFAOYSA-N 0 0 340.339 2.677 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CSc3ccccc32)s1 ZINC000344574578 142042930 /nfs/dbraw/zinc/04/29/30/142042930.db2.gz YTWWMHTXPJNQEY-SECBINFHSA-N 0 0 342.423 2.782 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 ZINC000344589053 142045286 /nfs/dbraw/zinc/04/52/86/142045286.db2.gz JAXCMYDNSHREJB-UHFFFAOYSA-N 0 0 337.748 2.844 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000344593960 142045696 /nfs/dbraw/zinc/04/56/96/142045696.db2.gz XXGFKZPSPYNBBK-UONOGXRCSA-N 0 0 345.399 2.528 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccs3)cs2)n1 ZINC000344599907 142046519 /nfs/dbraw/zinc/04/65/19/142046519.db2.gz AOLFVKHHYFHUBD-UHFFFAOYSA-N 0 0 335.370 2.766 10 5 EFBERN CC(C)Oc1cccc([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000344609315 142048165 /nfs/dbraw/zinc/04/81/65/142048165.db2.gz UYKSVNSYUNAFOQ-NSHDSACASA-N 0 0 332.360 2.607 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000344611456 142048744 /nfs/dbraw/zinc/04/87/44/142048744.db2.gz XERSDYFPKTUHDN-UHFFFAOYSA-N 0 0 347.331 2.843 10 5 EFBERN COc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cnc3C)CC2)cc1 ZINC000344624403 142051184 /nfs/dbraw/zinc/05/11/84/142051184.db2.gz IPVVMWLVLCJELC-UHFFFAOYSA-N 0 0 327.340 2.726 10 5 EFBERN O=C(NC[C@H]1CCSC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000344648988 142055032 /nfs/dbraw/zinc/05/50/32/142055032.db2.gz UVUZGSZSDLSBLQ-MRVPVSSYSA-N 0 0 332.328 2.679 10 5 EFBERN Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(Br)c1 ZINC000344726976 142068229 /nfs/dbraw/zinc/06/82/29/142068229.db2.gz WXGWFSYWKKOOSE-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN CCOc1ccc(C(=O)N2CCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000344746610 142071830 /nfs/dbraw/zinc/07/18/30/142071830.db2.gz JCHLZHBISGQPNS-TZMCWYRMSA-N 0 0 336.388 2.759 10 5 EFBERN O=C(NCc1noc(C2CC2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000344770722 142075564 /nfs/dbraw/zinc/07/55/64/142075564.db2.gz GVWBMSWVEBYCRV-UHFFFAOYSA-N 0 0 328.284 2.531 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1SCC(N)=O ZINC000344787581 142078021 /nfs/dbraw/zinc/07/80/21/142078021.db2.gz TXFLXQROVNSZEF-UHFFFAOYSA-N 0 0 345.380 2.733 10 5 EFBERN COc1ccc(CNC(=O)C(C)(C)COCC(F)F)cc1[N+](=O)[O-] ZINC000344857417 142087721 /nfs/dbraw/zinc/08/77/21/142087721.db2.gz LQPMFPSGGWEJRF-UHFFFAOYSA-N 0 0 346.330 2.528 10 5 EFBERN COc1cccc(C[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000344865170 142089518 /nfs/dbraw/zinc/08/95/18/142089518.db2.gz BJPBLGNEQYYLSZ-LLVKDONJSA-N 0 0 329.356 2.547 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NCCC2(F)CCC2)c1[N+](=O)[O-] ZINC000344931514 142099277 /nfs/dbraw/zinc/09/92/77/142099277.db2.gz LNPVTJQAMVIPLO-UHFFFAOYSA-N 0 0 330.381 2.772 10 5 EFBERN Cc1cn2cc(Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)ccc2n1 ZINC000344967151 142104858 /nfs/dbraw/zinc/10/48/58/142104858.db2.gz LVAYANHNDAKLBZ-UHFFFAOYSA-N 0 0 346.368 2.698 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccnc3)cc2)n1 ZINC000346179790 142162219 /nfs/dbraw/zinc/16/22/19/142162219.db2.gz RPVYGAKUYZGLHE-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccnc1C(F)(F)F ZINC000346258927 142178043 /nfs/dbraw/zinc/17/80/43/142178043.db2.gz NNWACRUNFURLKK-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000346265519 142179162 /nfs/dbraw/zinc/17/91/62/142179162.db2.gz HJYQVOHSRAZLJS-GFCCVEGCSA-N 0 0 348.321 2.935 10 5 EFBERN O=C(NC[C@H]1COc2ccccc2O1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000346389404 142198029 /nfs/dbraw/zinc/19/80/29/142198029.db2.gz UDWRXADUITYSJB-JTQLQIEISA-N 0 0 348.742 2.818 10 5 EFBERN C[C@H]1COCC[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000346416228 142201858 /nfs/dbraw/zinc/20/18/58/142201858.db2.gz JDOLMPKXYBZTSH-RYUDHWBXSA-N 0 0 332.360 2.772 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000347424324 142214210 /nfs/dbraw/zinc/21/42/10/142214210.db2.gz AURXNNOGCICFEF-SNVBAGLBSA-N 0 0 346.318 2.624 10 5 EFBERN CO[C@H](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000347440983 142216872 /nfs/dbraw/zinc/21/68/72/142216872.db2.gz QURSCSKGABNRFZ-SECBINFHSA-N 0 0 340.685 2.945 10 5 EFBERN C[C@@H](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000347478565 142223656 /nfs/dbraw/zinc/22/36/56/142223656.db2.gz FFJIDHQXOKFWCC-ZDUSSCGKSA-N 0 0 341.367 2.773 10 5 EFBERN CO[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000347482817 142224295 /nfs/dbraw/zinc/22/42/95/142224295.db2.gz BPURKKZMQODNGY-SNVBAGLBSA-N 0 0 340.685 2.945 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)C(C)(C)O ZINC000347688804 142256758 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C[C@H](C(=O)N1CCC[C@H]2COCC[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000347982647 142303754 /nfs/dbraw/zinc/30/37/54/142303754.db2.gz GLDUPYOVJUZUFG-MKBNYLNASA-N 0 0 336.363 2.865 10 5 EFBERN Cc1cc(C)c(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(=O)[nH]1 ZINC000347994537 142305422 /nfs/dbraw/zinc/30/54/22/142305422.db2.gz CXTMPZMWCTUBHC-LLVKDONJSA-N 0 0 347.346 2.871 10 5 EFBERN COC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000349327748 142321521 /nfs/dbraw/zinc/32/15/21/142321521.db2.gz WNHJBYSVFJWICV-CYBMUJFWSA-N 0 0 334.397 2.952 10 5 EFBERN C[C@@H](OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nccn1C ZINC000349842764 142366368 /nfs/dbraw/zinc/36/63/68/142366368.db2.gz YFVJFTHPHJOAAR-SNVBAGLBSA-N 0 0 329.316 2.656 10 5 EFBERN C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000349873714 142371585 /nfs/dbraw/zinc/37/15/85/142371585.db2.gz KVANMXBIAXIOPR-CYBMUJFWSA-N 0 0 335.404 2.685 10 5 EFBERN CCn1c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc2cccnc21 ZINC000349997849 142389022 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CCOc1ccc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000341131971 144998231 /nfs/dbraw/zinc/99/82/31/144998231.db2.gz XPCMZPIMIMIAQL-FUHWJXTLSA-N 0 0 346.383 2.777 10 5 EFBERN C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000341253722 145021356 /nfs/dbraw/zinc/02/13/56/145021356.db2.gz AOFOAQNHCZQYJR-LLVKDONJSA-N 0 0 347.396 2.654 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[C@@H](O)C(F)(F)F)nc1-c1ccccc1 ZINC000341258418 145022318 /nfs/dbraw/zinc/02/23/18/145022318.db2.gz IILTWAGNWHKCHO-GFCCVEGCSA-N 0 0 341.289 2.804 10 5 EFBERN C[C@@H](NC(=O)c1cccc2c1OCCO2)c1ccccc1[N+](=O)[O-] ZINC000341264628 145022930 /nfs/dbraw/zinc/02/29/30/145022930.db2.gz RNDMGNNUDVQYDI-LLVKDONJSA-N 0 0 328.324 2.857 10 5 EFBERN COc1c(C(=O)N2CCOC[C@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000341337412 145035649 /nfs/dbraw/zinc/03/56/49/145035649.db2.gz KQGWNBOGXMWINL-CYBMUJFWSA-N 0 0 334.372 2.635 10 5 EFBERN COc1cc2c(=O)ncn(CCc3ccc([N+](=O)[O-])cc3)c2cc1F ZINC000341347887 145037215 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O=c1ccc([N+](=O)[O-])cn1CCSc1nccn1-c1ccccc1 ZINC000342217094 145081977 /nfs/dbraw/zinc/08/19/77/145081977.db2.gz SNHCUSDVBNDGCB-UHFFFAOYSA-N 0 0 342.380 2.735 10 5 EFBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1NC(C)=O ZINC000342217521 145082373 /nfs/dbraw/zinc/08/23/73/145082373.db2.gz WLALQGFMZYISPU-UHFFFAOYSA-N 0 0 344.327 2.518 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)CCc2ccc(C)o2)c1[N+](=O)[O-] ZINC000342291945 145094648 /nfs/dbraw/zinc/09/46/48/145094648.db2.gz KCGBFADBYQONKO-SNVBAGLBSA-N 0 0 347.371 2.841 10 5 EFBERN Cn1c(C(=O)NCCc2c[nH]c3ccc(F)cc23)ccc1[N+](=O)[O-] ZINC000342322433 145100320 /nfs/dbraw/zinc/10/03/20/145100320.db2.gz XFARZNDVQLILOF-UHFFFAOYSA-N 0 0 330.319 2.526 10 5 EFBERN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCCOC3)cc2[N+](=O)[O-])C1 ZINC000342398188 145116774 /nfs/dbraw/zinc/11/67/74/145116774.db2.gz QFUKHWCMEMPBLK-DZGCQCFKSA-N 0 0 347.415 2.740 10 5 EFBERN CC(C)OCCCN(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342433639 145125187 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Cc1cc(=NC(=O)Cc2ccccc2[N+](=O)[O-])[nH]n1[C@H](C)C1CC1 ZINC000342647323 145165418 /nfs/dbraw/zinc/16/54/18/145165418.db2.gz WBSPHFMKRRZWHG-GFCCVEGCSA-N 0 0 328.372 2.674 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342647420 145165532 /nfs/dbraw/zinc/16/55/32/145165532.db2.gz HDUXXUWPXTXQIY-UHFFFAOYSA-N 0 0 345.380 2.816 10 5 EFBERN C[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1[N+](=O)[O-] ZINC000342655550 145167327 /nfs/dbraw/zinc/16/73/27/145167327.db2.gz QSZVNCIXOBJUPV-NSHDSACASA-N 0 0 339.351 2.509 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCOC2(CCC2)C1 ZINC000342666600 145169738 /nfs/dbraw/zinc/16/97/38/145169738.db2.gz MPKFTKIUPLAROM-JTQLQIEISA-N 0 0 340.326 2.633 10 5 EFBERN CCOCCC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000342707983 145176692 /nfs/dbraw/zinc/17/66/92/145176692.db2.gz INUSOZGHHLHGRX-UHFFFAOYSA-N 0 0 342.342 2.739 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NCCc2cnc(C3CC3)nc2)s1 ZINC000342786157 145193188 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EFBERN C[C@H](NCc1nc2ccccc2c(=O)n1C)c1ccccc1[N+](=O)[O-] ZINC000343593936 145247726 /nfs/dbraw/zinc/24/77/26/145247726.db2.gz GQUHEGHLJRPHLK-LBPRGKRZSA-N 0 0 338.367 2.693 10 5 EFBERN CN(C[C@@H]1CC=CCC1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343603711 145250128 /nfs/dbraw/zinc/25/01/28/145250128.db2.gz GKRMXXZJCMOYHW-CYBMUJFWSA-N 0 0 346.383 2.723 10 5 EFBERN CCS(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000343657889 145264127 /nfs/dbraw/zinc/26/41/27/145264127.db2.gz YDAIBWFMCYLDTO-NSHDSACASA-N 0 0 335.385 2.957 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc2ccc(=O)[nH]c21 ZINC000343680939 145270268 /nfs/dbraw/zinc/27/02/68/145270268.db2.gz WDIYUELFROTFDK-UHFFFAOYSA-N 0 0 337.335 2.821 10 5 EFBERN C[C@@H]1CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000343756558 145287127 /nfs/dbraw/zinc/28/71/27/145287127.db2.gz FESYPOBQKSMNDO-YPMHNXCESA-N 0 0 339.417 2.590 10 5 EFBERN Cc1cc(NC(=O)Cc2cccnc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000343758909 145287972 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EFBERN CC(C)OCCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343833436 145305215 /nfs/dbraw/zinc/30/52/15/145305215.db2.gz OKBVRVMZYUOHKU-UHFFFAOYSA-N 0 0 330.331 2.737 10 5 EFBERN COc1cc(NCC(=O)NCCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000343904935 145321556 /nfs/dbraw/zinc/32/15/56/145321556.db2.gz CAQJWMONMUXYDF-UHFFFAOYSA-N 0 0 347.346 2.513 10 5 EFBERN COc1cc(NCCCOCC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000343925410 145326408 /nfs/dbraw/zinc/32/64/08/145326408.db2.gz QUMYSQUQERPQIL-UHFFFAOYSA-N 0 0 342.367 2.988 10 5 EFBERN Cc1ccccc1-c1noc(=O)n1Cc1ccc([N+](=O)[O-])cc1F ZINC000343952628 145331591 /nfs/dbraw/zinc/33/15/91/145331591.db2.gz GJSAQNUDNVPTRO-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN C[C@@H]1CC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000343984151 145339028 /nfs/dbraw/zinc/33/90/28/145339028.db2.gz MMJGZHVDHPDHHA-FIXIBIHLSA-N 0 0 345.399 2.651 10 5 EFBERN CC(C)Oc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])nc1 ZINC000344045995 145354386 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COc1cc([N+](=O)[O-])ccc1CSc1nnnn1-c1ccccc1 ZINC000362334393 148801809 /nfs/dbraw/zinc/80/18/09/148801809.db2.gz OIPWVCMSZZLUNK-UHFFFAOYSA-N 0 0 343.368 2.871 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN=c3[nH]c4c(cccc4F)o3)nc2c1 ZINC000362683775 148868576 /nfs/dbraw/zinc/86/85/76/148868576.db2.gz MNIFIFVXXAIBEU-UHFFFAOYSA-N 0 0 327.275 2.785 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc2[nH]cnc2c1 ZINC000362735879 148877761 /nfs/dbraw/zinc/87/77/61/148877761.db2.gz RNIRXYKWHNJHKT-UHFFFAOYSA-N 0 0 332.266 2.931 10 5 EFBERN Cc1ccc(CO)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362938041 148910389 /nfs/dbraw/zinc/91/03/89/148910389.db2.gz HTAQROZEZTZCGQ-UHFFFAOYSA-N 0 0 336.294 2.855 10 5 EFBERN CO[C@H]1COCC[C@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450185737 286077858 /nfs/dbraw/zinc/07/78/58/286077858.db2.gz TWGNHYXVTXDSEZ-GUYCJALGSA-N 0 0 348.399 2.527 10 5 EFBERN O=C(c1nc(Cl)cs1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000363749146 149007275 /nfs/dbraw/zinc/00/72/75/149007275.db2.gz GWLSUYKCPXVBJX-UHFFFAOYSA-N 0 0 339.760 2.608 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC=C(c2c(F)cccc2F)CC1 ZINC000364270676 149111788 /nfs/dbraw/zinc/11/17/88/149111788.db2.gz ULVIPFUDPRQIGT-UHFFFAOYSA-N 0 0 334.282 2.526 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000364302673 149119792 /nfs/dbraw/zinc/11/97/92/149119792.db2.gz LTBPOPRBYYSRME-ZIAGYGMSSA-N 0 0 333.388 2.577 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC=C(c3ccccc3)C2)c1 ZINC000364356753 149134195 /nfs/dbraw/zinc/13/41/95/149134195.db2.gz FPLJCFRTTCPOEQ-UHFFFAOYSA-N 0 0 344.392 2.824 10 5 EFBERN C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000364686179 149217078 /nfs/dbraw/zinc/21/70/78/149217078.db2.gz KJHWAXPCECQCPN-YVEFUNNKSA-N 0 0 331.372 2.572 10 5 EFBERN Cc1cc(NC(=O)[C@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000364805249 149247990 /nfs/dbraw/zinc/24/79/90/149247990.db2.gz BBFOFRYMZCQBMZ-LBPRGKRZSA-N 0 0 329.356 2.629 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCc2ncccc2C1 ZINC000364980551 149289742 /nfs/dbraw/zinc/28/97/42/149289742.db2.gz VDJXLCZFHWNAQP-UHFFFAOYSA-N 0 0 347.758 2.993 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(CCC2)C[C@@H]1C ZINC000365315851 149367747 /nfs/dbraw/zinc/36/77/47/149367747.db2.gz GWWGNXDAZMFDEJ-NSHDSACASA-N 0 0 340.401 2.557 10 5 EFBERN C[C@H]1CC2(CCC2)CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000365321215 149369508 /nfs/dbraw/zinc/36/95/08/149369508.db2.gz PMOYBUULYFZYLH-LBPRGKRZSA-N 0 0 341.371 2.580 10 5 EFBERN C[C@@H]1CCOCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000365940756 149515064 /nfs/dbraw/zinc/51/50/64/149515064.db2.gz JZACMILYPDVQGJ-SECBINFHSA-N 0 0 330.743 2.567 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC2(C1)CCCOC2 ZINC000367291041 149834832 /nfs/dbraw/zinc/83/48/32/149834832.db2.gz OWYQXDIMTLPUHY-UHFFFAOYSA-N 0 0 342.754 2.569 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCOc2cccc(F)c2C1 ZINC000367297899 149837045 /nfs/dbraw/zinc/83/70/45/149837045.db2.gz GFVDCLBNNMOLCG-UHFFFAOYSA-N 0 0 345.330 2.567 10 5 EFBERN C[C@@H]1[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000367417317 149866967 /nfs/dbraw/zinc/86/69/67/149866967.db2.gz FLUCADZBISSSMF-WBMJQRKESA-N 0 0 340.383 2.779 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000367744601 149946008 /nfs/dbraw/zinc/94/60/08/149946008.db2.gz CZCZETYGFIWOKP-UHFFFAOYSA-N 0 0 326.352 2.521 10 5 EFBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@H]2CCCC[C@H]21 ZINC000367765395 149950511 /nfs/dbraw/zinc/95/05/11/149950511.db2.gz MRODDXGMJYFJDN-MEBBXXQBSA-N 0 0 327.340 2.863 10 5 EFBERN CC[C@H]1CN(c2cc([N+](=O)[O-])ccc2C(C)=O)C[C@@]2(CCOC2)O1 ZINC000367927327 149989447 /nfs/dbraw/zinc/98/94/47/149989447.db2.gz OAGJRBPIUFUTFQ-WMLDXEAASA-N 0 0 334.372 2.572 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2)C1 ZINC000368078932 150029070 /nfs/dbraw/zinc/02/90/70/150029070.db2.gz LUYCDJBBGHOBEL-FZKQIMNGSA-N 0 0 346.383 2.825 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC2(C1)CCOCC2 ZINC000368141537 150049703 /nfs/dbraw/zinc/04/97/03/150049703.db2.gz NSYMUAMDMBXCLI-UHFFFAOYSA-N 0 0 325.752 2.893 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000368362889 150102682 /nfs/dbraw/zinc/10/26/82/150102682.db2.gz HHCXQEWOHRBBJR-CJNGLKHVSA-N 0 0 341.367 2.827 10 5 EFBERN COc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3O)ccc1[N+](=O)[O-] ZINC000368655231 150172065 /nfs/dbraw/zinc/17/20/65/150172065.db2.gz IVQHZFBSPABXBK-AWEZNQCLSA-N 0 0 344.323 2.672 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000368680814 150180722 /nfs/dbraw/zinc/18/07/22/150180722.db2.gz QALIOVVCVOQWKA-UHFFFAOYSA-N 0 0 345.378 2.651 10 5 EFBERN C[C@H]1CC[C@]2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000368706373 150186716 /nfs/dbraw/zinc/18/67/16/150186716.db2.gz JFBLZMYJTXADBJ-BBRMVZONSA-N 0 0 338.429 2.937 10 5 EFBERN NC(=O)c1ccc(N2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000369211831 150302015 /nfs/dbraw/zinc/30/20/15/150302015.db2.gz BFUDOWMDCBLMJQ-KRWDZBQOSA-N 0 0 329.331 2.769 10 5 EFBERN CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000369407732 150347409 /nfs/dbraw/zinc/34/74/09/150347409.db2.gz IETXJPAVEUHECU-CQSZACIVSA-N 0 0 328.372 2.660 10 5 EFBERN CCc1noc(C)c1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369677600 150423124 /nfs/dbraw/zinc/42/31/24/150423124.db2.gz XVXNFDOQOKIDID-UHFFFAOYSA-N 0 0 348.363 2.519 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000370106023 150522656 /nfs/dbraw/zinc/52/26/56/150522656.db2.gz UDBGNSORFTZVEZ-GLJUWKHASA-N 0 0 348.399 2.702 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1noc(-c2ccccc2)n1 ZINC000370581248 150625000 /nfs/dbraw/zinc/62/50/00/150625000.db2.gz BSTOYHLJOJFPFW-SNVBAGLBSA-N 0 0 339.311 2.531 10 5 EFBERN CC(=O)N1c2ccccc2C[C@H]1C(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000372271118 150973741 /nfs/dbraw/zinc/97/37/41/150973741.db2.gz ZJMHBNYUYLGYEH-INIZCTEOSA-N 0 0 340.335 2.786 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000372802150 151064957 /nfs/dbraw/zinc/06/49/57/151064957.db2.gz BJOHJWCLDXKDGB-UHFFFAOYSA-N 0 0 343.339 2.684 10 5 EFBERN COc1cc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000450663472 286231279 /nfs/dbraw/zinc/23/12/79/286231279.db2.gz YGOVRQUJZMRFMJ-YJBOKZPZSA-N 0 0 346.358 2.908 10 5 EFBERN Cc1ccc(NC(=O)C(=O)N2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000372978978 151091606 /nfs/dbraw/zinc/09/16/06/151091606.db2.gz HZYCBBKRJIJORV-GFCCVEGCSA-N 0 0 331.372 2.633 10 5 EFBERN Cc1c(NC(=O)C(=O)N2CC3(CCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372983841 151092530 /nfs/dbraw/zinc/09/25/30/151092530.db2.gz PQKVZLFQMTXVHK-NSHDSACASA-N 0 0 331.372 2.633 10 5 EFBERN Cc1ncsc1-c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)no1 ZINC000373036799 151102505 /nfs/dbraw/zinc/10/25/05/151102505.db2.gz NIFLTSBCFYRYNH-UHFFFAOYSA-N 0 0 332.345 2.532 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@@H]1C1CC1 ZINC000373283414 151146212 /nfs/dbraw/zinc/14/62/12/151146212.db2.gz GLUOPWNMADCHTE-CYBMUJFWSA-N 0 0 337.763 2.588 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@H]1C1CC1 ZINC000373283415 151146497 /nfs/dbraw/zinc/14/64/97/151146497.db2.gz GLUOPWNMADCHTE-ZDUSSCGKSA-N 0 0 337.763 2.588 10 5 EFBERN COc1ccc(C(=O)N2CCC(n3cncc3C)CC2)cc1[N+](=O)[O-] ZINC000373476200 151176374 /nfs/dbraw/zinc/17/63/74/151176374.db2.gz PZMMDRARTZNIRP-UHFFFAOYSA-N 0 0 344.371 2.586 10 5 EFBERN O=C(NCc1noc(-c2cccc(F)c2)n1)c1ccccc1[N+](=O)[O-] ZINC000373478519 151176444 /nfs/dbraw/zinc/17/64/44/151176444.db2.gz DGDYVXXEBCAZRO-UHFFFAOYSA-N 0 0 342.286 2.714 10 5 EFBERN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373495955 151179235 /nfs/dbraw/zinc/17/92/35/151179235.db2.gz OFAGMVFWQQXHDA-MPKNPAPTSA-N 0 0 332.400 2.878 10 5 EFBERN COc1cc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000373615870 151198961 /nfs/dbraw/zinc/19/89/61/151198961.db2.gz NEQTUCRAXZJHSH-ZDUSSCGKSA-N 0 0 348.399 2.943 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000373731155 151218143 /nfs/dbraw/zinc/21/81/43/151218143.db2.gz QWURLNSNDHULMD-DCGLDWPTSA-N 0 0 336.388 2.766 10 5 EFBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC1=O ZINC000374167851 151294881 /nfs/dbraw/zinc/29/48/81/151294881.db2.gz NCKYMJAURSHCRW-JRPNMDOOSA-N 0 0 326.356 2.564 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000408302904 286249952 /nfs/dbraw/zinc/24/99/52/286249952.db2.gz KJFLHUVDPZGGTK-GRYCIOLGSA-N 0 0 342.417 2.659 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCC(C)=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000374572431 151372839 /nfs/dbraw/zinc/37/28/39/151372839.db2.gz OQVKFAMNZZTWQR-UHFFFAOYSA-N 0 0 330.344 2.793 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000374678755 151393835 /nfs/dbraw/zinc/39/38/35/151393835.db2.gz MHQIMVQGYXJBAB-CYBMUJFWSA-N 0 0 328.328 2.967 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000374909526 151434520 /nfs/dbraw/zinc/43/45/20/151434520.db2.gz GLFMHGQBRYFHSL-UHFFFAOYSA-N 0 0 344.371 2.789 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000374994111 151450342 /nfs/dbraw/zinc/45/03/42/151450342.db2.gz JPSBEZFDTDWXJX-UHFFFAOYSA-N 0 0 346.770 2.900 10 5 EFBERN COc1cc2c(cc1OC)CCN(c1ccc(N)cc1[N+](=O)[O-])CC2 ZINC000367626682 286258528 /nfs/dbraw/zinc/25/85/28/286258528.db2.gz DJZPDOJQCFQVRK-UHFFFAOYSA-N 0 0 343.383 2.799 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC=C(c3ccco3)C2)s1 ZINC000375660328 151571777 /nfs/dbraw/zinc/57/17/77/151571777.db2.gz MBFNPXLTCHBDQJ-UHFFFAOYSA-N 0 0 340.382 2.727 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccn2)CCC1 ZINC000375932754 151624174 /nfs/dbraw/zinc/62/41/74/151624174.db2.gz GSQYJLKAXPPPFR-UHFFFAOYSA-N 0 0 326.356 2.545 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCCOC2 ZINC000377165654 151832943 /nfs/dbraw/zinc/83/29/43/151832943.db2.gz QEBVQDLRDQOLJF-SFHVURJKSA-N 0 0 347.415 2.816 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000378148994 152020360 /nfs/dbraw/zinc/02/03/60/152020360.db2.gz PUYXXPGZMSGWOX-CYBMUJFWSA-N 0 0 330.315 2.776 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccccc3Cl)CC2)n1 ZINC000378352449 152065133 /nfs/dbraw/zinc/06/51/33/152065133.db2.gz VXGJHBSCMSQYJY-UHFFFAOYSA-N 0 0 346.774 2.911 10 5 EFBERN Nc1c(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000378392962 152074131 /nfs/dbraw/zinc/07/41/31/152074131.db2.gz GZANLQMNQBKBMB-DYVFJYSZSA-N 0 0 341.367 2.685 10 5 EFBERN Nc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000378394228 152074973 /nfs/dbraw/zinc/07/49/73/152074973.db2.gz JSIRPWCGKDDHEP-PBHICJAKSA-N 0 0 341.367 2.685 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)n1 ZINC000378495236 152100628 /nfs/dbraw/zinc/10/06/28/152100628.db2.gz XZPCHDCVHPVLRV-GFCCVEGCSA-N 0 0 346.362 2.877 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408025892 152144868 /nfs/dbraw/zinc/14/48/68/152144868.db2.gz UONWZULOJCPRIY-UKRRQHHQSA-N 0 0 329.356 2.860 10 5 EFBERN C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000408083628 152150187 /nfs/dbraw/zinc/15/01/87/152150187.db2.gz KJVRLULVHHSHQF-ZDUSSCGKSA-N 0 0 338.429 2.937 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000408185573 152160501 /nfs/dbraw/zinc/16/05/01/152160501.db2.gz DIGBREWBUMDGFG-XEZPLFJOSA-N 0 0 332.400 2.735 10 5 EFBERN COc1ccc(S(=O)(=O)N2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000358390291 286347990 /nfs/dbraw/zinc/34/79/90/286347990.db2.gz XHJITEFVSDVLPG-LLVKDONJSA-N 0 0 328.390 2.557 10 5 EFBERN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCC12CCC2 ZINC000366777103 304414076 /nfs/dbraw/zinc/41/40/76/304414076.db2.gz OCRFEQRZGSUUIT-OAHLLOKOSA-N 0 0 329.356 2.633 10 5 EFBERN C[C@@H](C(=O)N1CCOC[C@@H]1CC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000343410946 286755956 /nfs/dbraw/zinc/75/59/56/286755956.db2.gz JSRCOCGWTJXSGG-KOLCDFICSA-N 0 0 346.305 2.720 10 5 EFBERN C[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000341257555 287000841 /nfs/dbraw/zinc/00/08/41/287000841.db2.gz JISBQWJVPKTSFV-GFCCVEGCSA-N 0 0 341.367 2.788 10 5 EFBERN CCO[C@H]1C[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356860092 164640619 /nfs/dbraw/zinc/64/06/19/164640619.db2.gz NCBAWTBFOUUTKT-MNOVXSKESA-N 0 0 329.150 2.721 10 5 EFBERN C[C@@H]1C[C@@H](c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)CCO1 ZINC000357462240 164644893 /nfs/dbraw/zinc/64/48/93/164644893.db2.gz CYXFJPIGDFDIJG-BDAKNGLRSA-N 0 0 329.316 2.804 10 5 EFBERN C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ncccc1F ZINC000359132851 164655945 /nfs/dbraw/zinc/65/59/45/164655945.db2.gz UMVCCCGITRCGDR-LBPRGKRZSA-N 0 0 331.347 2.934 10 5 EFBERN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCCO1 ZINC000163910342 226029931 /nfs/dbraw/zinc/02/99/31/226029931.db2.gz DMCKQWLYNCBIJG-MLGOLLRUSA-N 0 0 333.388 2.836 10 5 EFBERN COC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000171322970 227014799 /nfs/dbraw/zinc/01/47/99/227014799.db2.gz LLACZGFXGDOQIB-OAHLLOKOSA-N 0 0 344.367 2.868 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccsc2)C1 ZINC000120465342 221586499 /nfs/dbraw/zinc/58/64/99/221586499.db2.gz WVTAAUGNCRUNEK-HNNXBMFYSA-N 0 0 348.380 2.635 10 5 EFBERN Cc1sc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc1[N+](=O)[O-] ZINC000122549112 222109267 /nfs/dbraw/zinc/10/92/67/222109267.db2.gz WPGXXMYVYQAOCE-UHFFFAOYSA-N 0 0 347.400 2.699 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000122939218 222186829 /nfs/dbraw/zinc/18/68/29/222186829.db2.gz QOQQSNUWUHGCKP-PXAZEXFGSA-N 0 0 349.387 2.762 10 5 EFBERN Cc1c(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000123030242 222203721 /nfs/dbraw/zinc/20/37/21/222203721.db2.gz NAYYPDGFZKSQCR-INIZCTEOSA-N 0 0 328.372 2.923 10 5 EFBERN Cc1cc(=O)n(C[C@@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000123375424 222266315 /nfs/dbraw/zinc/26/63/15/222266315.db2.gz CKAMWYCEODFEHK-CQSZACIVSA-N 0 0 346.383 2.628 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000123424002 222274862 /nfs/dbraw/zinc/27/48/62/222274862.db2.gz QJYSAYCTLQEGNL-WBMJQRKESA-N 0 0 336.413 2.688 10 5 EFBERN Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc([N+](=O)[O-])c1 ZINC000123510570 222289566 /nfs/dbraw/zinc/28/95/66/222289566.db2.gz GLJFQNPQIYQIEY-XJKSGUPXSA-N 0 0 328.372 2.823 10 5 EFBERN Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc([N+](=O)[O-])c1 ZINC000123510960 222289580 /nfs/dbraw/zinc/28/95/80/222289580.db2.gz GLJFQNPQIYQIEY-BBRMVZONSA-N 0 0 328.372 2.823 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452581723 304495864 /nfs/dbraw/zinc/49/58/64/304495864.db2.gz DBQQEPWHTFYWOF-XHSDSOJGSA-N 0 0 336.363 2.890 10 5 EFBERN C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CCCCC1 ZINC000006061268 544421203 /nfs/dbraw/zinc/42/12/03/544421203.db2.gz FEDCLIMMVZQLTO-NSHDSACASA-N 0 0 335.360 2.521 10 5 EFBERN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC ZINC000045384491 272974535 /nfs/dbraw/zinc/97/45/35/272974535.db2.gz AUHQDNNKQJAIMB-JTQLQIEISA-N 0 0 345.355 2.806 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000277205634 273150777 /nfs/dbraw/zinc/15/07/77/273150777.db2.gz GJQBEWZEJXQGTI-NSHDSACASA-N 0 0 337.376 2.546 10 5 EFBERN COc1cccc2c1nc(NC(=O)c1ccc([N+](=O)[O-])s1)n2C ZINC000184451482 265017547 /nfs/dbraw/zinc/01/75/47/265017547.db2.gz HPQZFVCDVLDGPL-UHFFFAOYSA-N 0 0 332.341 2.804 10 5 EFBERN COc1cccc2c1nc(NC(=O)Cc1ccccc1[N+](=O)[O-])n2C ZINC000184445209 265017798 /nfs/dbraw/zinc/01/77/98/265017798.db2.gz GPIZHRGPDVGKAH-UHFFFAOYSA-N 0 0 340.339 2.671 10 5 EFBERN COc1cccc2c1nc(NC(=O)c1ccc(F)cc1[N+](=O)[O-])n2C ZINC000184482665 265019690 /nfs/dbraw/zinc/01/96/90/265019690.db2.gz SWBGHVYNWACNPW-UHFFFAOYSA-N 0 0 344.302 2.882 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)NCc1cccs1 ZINC000184987313 265030577 /nfs/dbraw/zinc/03/05/77/265030577.db2.gz FMNIBEXYNKCPIU-UHFFFAOYSA-N 0 0 343.364 2.900 10 5 EFBERN COc1ccc(F)cc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000186244704 265060015 /nfs/dbraw/zinc/06/00/15/265060015.db2.gz NGHIVISZLBHSAM-UHFFFAOYSA-N 0 0 333.319 2.742 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]1(C)C(=O)OC ZINC000187693142 265114874 /nfs/dbraw/zinc/11/48/74/265114874.db2.gz KBUFNVCCXHVMNJ-KBXCAEBGSA-N 0 0 348.399 2.718 10 5 EFBERN CC(C)(C)c1ccc(C(=O)NCc2cc(C(N)=O)co2)cc1[N+](=O)[O-] ZINC000187851536 265118910 /nfs/dbraw/zinc/11/89/10/265118910.db2.gz UONUFFUDTREGRE-UHFFFAOYSA-N 0 0 345.355 2.514 10 5 EFBERN O=C(c1cn2ccnc2s1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000188684986 265148099 /nfs/dbraw/zinc/14/80/99/265148099.db2.gz KTBBEGRBRITVQF-UHFFFAOYSA-N 0 0 328.353 2.897 10 5 EFBERN Cc1cc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000188749848 265153484 /nfs/dbraw/zinc/15/34/84/265153484.db2.gz JWIJAQUPVDLUJW-UHFFFAOYSA-N 0 0 328.368 2.819 10 5 EFBERN Cc1sc(C(=O)N[C@@H](CO)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000190602189 265231787 /nfs/dbraw/zinc/23/17/87/265231787.db2.gz ZJYNOBGZEZOHFQ-CYBMUJFWSA-N 0 0 334.397 2.607 10 5 EFBERN O=C(CCc1ccc2c(c1)OCCO2)NCc1ccccc1[N+](=O)[O-] ZINC000193383472 265326420 /nfs/dbraw/zinc/32/64/20/265326420.db2.gz KCJOADAMAUUWBA-UHFFFAOYSA-N 0 0 342.351 2.615 10 5 EFBERN O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc([N+](=O)[O-])cc1 ZINC000193391080 265327171 /nfs/dbraw/zinc/32/71/71/265327171.db2.gz XSEMLKUMDMVXPS-UHFFFAOYSA-N 0 0 342.351 2.615 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000193471134 265330841 /nfs/dbraw/zinc/33/08/41/265330841.db2.gz XCCGDGXVCGPYAY-CYBMUJFWSA-N 0 0 343.383 2.881 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC000193875525 265349700 /nfs/dbraw/zinc/34/97/00/265349700.db2.gz NBTXQIBXCTZPMB-CYBMUJFWSA-N 0 0 328.324 2.857 10 5 EFBERN C[C@H]1COCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194522979 265375725 /nfs/dbraw/zinc/37/57/25/265375725.db2.gz QHKUZDVBMCEPGK-SUMWQHHRSA-N 0 0 348.399 2.637 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCOc1ccc(F)cc1 ZINC000194895458 265393960 /nfs/dbraw/zinc/39/39/60/265393960.db2.gz WCCHZIKACTWIDP-UHFFFAOYSA-N 0 0 333.319 2.636 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000195063158 265402531 /nfs/dbraw/zinc/40/25/31/265402531.db2.gz PEPMADABBOIUGY-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000270397533 265704080 /nfs/dbraw/zinc/70/40/80/265704080.db2.gz JKBJFLUSUZWOMA-YOEHRIQHSA-N 0 0 334.372 2.755 10 5 EFBERN Cc1cccc([C@@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC000270854537 265827397 /nfs/dbraw/zinc/82/73/97/265827397.db2.gz YPYDTUVAZWKNOD-AWEZNQCLSA-N 0 0 328.372 2.922 10 5 EFBERN CCN(CC)C(=O)CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000087142099 272993987 /nfs/dbraw/zinc/99/39/87/272993987.db2.gz JTTPEKAWKVARQK-GFCCVEGCSA-N 0 0 333.388 2.521 10 5 EFBERN Cc1cccc([C@@H](O)CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271657876 266034873 /nfs/dbraw/zinc/03/48/73/266034873.db2.gz KPBHSBQKZQQQLL-DYVFJYSZSA-N 0 0 343.383 2.997 10 5 EFBERN CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271682821 266040373 /nfs/dbraw/zinc/04/03/73/266040373.db2.gz CFQYQGRCMDIYES-SWLSCSKDSA-N 0 0 337.420 2.998 10 5 EFBERN Cc1ccc([C@@H](O)CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271687174 266041433 /nfs/dbraw/zinc/04/14/33/266041433.db2.gz PXUOGMFAUPMZGQ-GUYCJALGSA-N 0 0 343.383 2.997 10 5 EFBERN C[C@@H](NC(=O)NC[C@H]1COC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000271725032 266049441 /nfs/dbraw/zinc/04/94/41/266049441.db2.gz SERGBWZCBJUBCP-OLZOCXBDSA-N 0 0 349.387 2.641 10 5 EFBERN C[C@H](NC(=O)NC[C@@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271728995 266051009 /nfs/dbraw/zinc/05/10/09/266051009.db2.gz NBGMMCUULVNPIX-ZFWWWQNUSA-N 0 0 343.383 2.731 10 5 EFBERN C[C@H](NC(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000271749112 266054140 /nfs/dbraw/zinc/05/41/40/266054140.db2.gz RZVYNEQQHSLPIH-STQMWFEESA-N 0 0 343.387 2.968 10 5 EFBERN C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000271781474 266058695 /nfs/dbraw/zinc/05/86/95/266058695.db2.gz PBLAPPYTQFORNN-GFCCVEGCSA-N 0 0 335.404 2.715 10 5 EFBERN CC[C@H](NC(=O)NCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000090520436 272996758 /nfs/dbraw/zinc/99/67/58/272996758.db2.gz NLFZZVMAAAXNRY-INIZCTEOSA-N 0 0 328.372 2.983 10 5 EFBERN CC[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090687973 272996843 /nfs/dbraw/zinc/99/68/43/272996843.db2.gz HOXOFFYEMFTPDG-KCXAZCMYSA-N 0 0 335.404 2.896 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000272193947 266184837 /nfs/dbraw/zinc/18/48/37/266184837.db2.gz GAVKNRWNSHYTSG-GOEBONIOSA-N 0 0 349.431 2.530 10 5 EFBERN C[C@H]1SCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000272369804 266244082 /nfs/dbraw/zinc/24/40/82/266244082.db2.gz DMWGGIAUMHOINW-IAQYHMDHSA-N 0 0 346.412 2.647 10 5 EFBERN C[C@@H]1Sc2ccccc2N(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C 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/nfs/dbraw/zinc/13/71/10/277137110.db2.gz DRXKWPPWBDCTAN-IUODEOHRSA-N 0 0 331.397 2.832 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N2CCCSCC2)cc1Cl ZINC000269051856 277152997 /nfs/dbraw/zinc/15/29/97/277152997.db2.gz VYCUWMXEPHVCAV-UHFFFAOYSA-N 0 0 330.793 2.978 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N2CCC([C@@H](C)O)CC2)cc1Cl ZINC000268780592 277153067 /nfs/dbraw/zinc/15/30/67/277153067.db2.gz CASQEKAJENMHEF-SECBINFHSA-N 0 0 342.779 2.632 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@@]2(C)CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000375326705 277268000 /nfs/dbraw/zinc/26/80/00/277268000.db2.gz LRLAJYQQIAATQL-KRWDZBQOSA-N 0 0 333.388 2.747 10 5 EFBERN CO[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000412274828 277278138 /nfs/dbraw/zinc/27/81/38/277278138.db2.gz CUORWOBCWXWMAW-XQQFMLRXSA-N 0 0 346.305 2.782 10 5 EFBERN COC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362361437 277355035 /nfs/dbraw/zinc/35/50/35/277355035.db2.gz XSSHQQVNVNTAFR-GFCCVEGCSA-N 0 0 345.330 2.795 10 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/nfs/dbraw/zinc/12/12/73/278121273.db2.gz ACTLHBLGCAKFJB-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN CSc1c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cnn1C ZINC000362461407 278168981 /nfs/dbraw/zinc/16/89/81/278168981.db2.gz UZXRCHWLHZTSOJ-SECBINFHSA-N 0 0 332.385 2.642 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000005447104 288033666 /nfs/dbraw/zinc/03/36/66/288033666.db2.gz GWAPYCPJWLDOCU-ZIAGYGMSSA-N 0 0 347.415 2.835 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000456544651 278356529 /nfs/dbraw/zinc/35/65/29/278356529.db2.gz OXGJLJGDKBMBGS-CQSZACIVSA-N 0 0 341.367 2.812 10 5 EFBERN C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCS1 ZINC000171581918 278396013 /nfs/dbraw/zinc/39/60/13/278396013.db2.gz MDUCNCVSWOQSMZ-ZDUSSCGKSA-N 0 0 349.456 2.775 10 5 EFBERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187850052 279134755 /nfs/dbraw/zinc/13/47/55/279134755.db2.gz SSRAGFPCILYXMA-AWEZNQCLSA-N 0 0 343.387 2.883 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2n1C ZINC000362145647 279158216 /nfs/dbraw/zinc/15/82/16/279158216.db2.gz JELGOPIGZNMBRS-UHFFFAOYSA-N 0 0 329.291 2.576 10 5 EFBERN C[C@@]1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO[C@H]1C1CC1 ZINC000368755507 279163617 /nfs/dbraw/zinc/16/36/17/279163617.db2.gz CEYIBXLGNWHRMM-IRXDYDNUSA-N 0 0 347.371 2.543 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nnc2n1CCCCC2 ZINC000373920445 279447797 /nfs/dbraw/zinc/44/77/97/279447797.db2.gz GNMKUWQHBNSQDD-JTQLQIEISA-N 0 0 347.350 2.543 10 5 EFBERN CCOC(=O)c1ccnc(N2CCC3(CCOCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000374932760 279637769 /nfs/dbraw/zinc/63/77/69/279637769.db2.gz RANLXIQQUNMUGM-LBPRGKRZSA-N 0 0 349.387 2.562 10 5 EFBERN O=C(CN(CC(F)F)CC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000341754023 279762399 /nfs/dbraw/zinc/76/23/99/279762399.db2.gz IWEDUUVUHIUMJW-UHFFFAOYSA-N 0 0 327.331 2.901 10 5 EFBERN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000428075861 279939047 /nfs/dbraw/zinc/93/90/47/279939047.db2.gz AUPYQUNVSMYENP-XOIINTDNSA-N 0 0 329.400 2.726 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000353004786 279953186 /nfs/dbraw/zinc/95/31/86/279953186.db2.gz MXVUBDNOENTLDD-HNNXBMFYSA-N 0 0 334.372 2.513 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(c1)OCCO2 ZINC000103377287 280023745 /nfs/dbraw/zinc/02/37/45/280023745.db2.gz VVZAQRACQIPDQL-NSHDSACASA-N 0 0 340.335 2.957 10 5 EFBERN Cc1c(Br)c(N[C@H]2CCOC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000311466341 280199219 /nfs/dbraw/zinc/19/92/19/280199219.db2.gz GSUIYMZDRQFKBQ-CBAPKCEASA-N 0 0 330.182 2.898 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2N1 ZINC000150965095 280262243 /nfs/dbraw/zinc/26/22/43/280262243.db2.gz AVOKYAWUWGFXBE-ACJLOTCBSA-N 0 0 345.399 2.611 10 5 EFBERN O=C1C[C@@]2(CCN(c3ccncc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000413528185 280270745 /nfs/dbraw/zinc/27/07/45/280270745.db2.gz GNRMIKGPSWZVNH-QGZVFWFLSA-N 0 0 325.324 2.604 10 5 EFBERN Cc1cc(NC(=O)[C@]2(C)CCCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000410702730 280298143 /nfs/dbraw/zinc/29/81/43/280298143.db2.gz GDTMAYCIUBWEMB-KRWDZBQOSA-N 0 0 329.356 2.771 10 5 EFBERN O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000192407035 280320189 /nfs/dbraw/zinc/32/01/89/280320189.db2.gz AGYVFIPNGXPBEX-JQEORGNBSA-N 0 0 335.747 2.815 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000376003428 280343104 /nfs/dbraw/zinc/34/31/04/280343104.db2.gz LMMHYCQTUSYRGN-SUNYJGFJSA-N 0 0 348.399 2.702 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@@H](O)C3(CC3)C2)nc1-c1ccc(F)cc1 ZINC000362356869 280368322 /nfs/dbraw/zinc/36/83/22/280368322.db2.gz BZAKZDPQKCHKPN-CQSZACIVSA-N 0 0 329.331 2.757 10 5 EFBERN Cc1cc(C(=O)Nc2cn(C)nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000362821892 280371894 /nfs/dbraw/zinc/37/18/94/280371894.db2.gz AYUKWBZWWVPBKW-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Cc1cc(N2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n[nH]1 ZINC000187214335 280559503 /nfs/dbraw/zinc/55/95/03/280559503.db2.gz IMEODKRRPSNGDV-CQSZACIVSA-N 0 0 329.404 2.818 10 5 EFBERN Cc1cc(N2CCO[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000413619779 280564895 /nfs/dbraw/zinc/56/48/95/280564895.db2.gz WQXWRRKKRQYILT-RNCFNFMXSA-N 0 0 334.294 2.508 10 5 EFBERN Cc1cc(N2C[C@H](O)C3(CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000364415923 280588375 /nfs/dbraw/zinc/58/83/75/280588375.db2.gz FCVLRNVWHWKONW-LBPRGKRZSA-N 0 0 327.178 2.627 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000439502133 280601287 /nfs/dbraw/zinc/60/12/87/280601287.db2.gz FYVGWTXOQMGZFB-CABCVRRESA-N 0 0 347.415 2.882 10 5 EFBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C)[C@@H](C)O1 ZINC000408443137 288278697 /nfs/dbraw/zinc/27/86/97/288278697.db2.gz MLKPSGHADCVKQA-IWSPIJDZSA-N 0 0 330.182 2.754 10 5 EFBERN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000362373364 288278254 /nfs/dbraw/zinc/27/82/54/288278254.db2.gz JTZQCEJAZOTQRF-UEKVPHQBSA-N 0 0 341.795 2.806 10 5 EFBERN CC1(C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000357701520 281271647 /nfs/dbraw/zinc/27/16/47/281271647.db2.gz HPHYSUHFVXZUDW-SECBINFHSA-N 0 0 346.309 2.504 10 5 EFBERN CC1(C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000357701521 281271729 /nfs/dbraw/zinc/27/17/29/281271729.db2.gz HPHYSUHFVXZUDW-VIFPVBQESA-N 0 0 346.309 2.504 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000178041460 281363723 /nfs/dbraw/zinc/36/37/23/281363723.db2.gz AWUOSDHPXFHNGF-LBPRGKRZSA-N 0 0 344.371 2.913 10 5 EFBERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000151138018 281521159 /nfs/dbraw/zinc/52/11/59/281521159.db2.gz WJCGRMZUQKYPCR-JTQLQIEISA-N 0 0 349.778 2.667 10 5 EFBERN CCc1noc([C@@H](C)N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)n1 ZINC000112086438 281573269 /nfs/dbraw/zinc/57/32/69/281573269.db2.gz ODJINFXMMVVPPG-LLVKDONJSA-N 0 0 349.366 2.563 10 5 EFBERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000131230992 288373331 /nfs/dbraw/zinc/37/33/31/288373331.db2.gz DRRLFCQFCXZKEL-RKDXNWHRSA-N 0 0 343.177 2.607 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121906695 282003978 /nfs/dbraw/zinc/00/39/78/282003978.db2.gz BTRSSRJYVYDHHH-CYBMUJFWSA-N 0 0 344.371 2.518 10 5 EFBERN COCCCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000057358774 292662845 /nfs/dbraw/zinc/66/28/45/292662845.db2.gz HJLRKQXNICWBBK-UHFFFAOYSA-N 0 0 345.355 2.966 10 5 EFBERN CCc1ccc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1[N+](=O)[O-] ZINC000126950254 288532560 /nfs/dbraw/zinc/53/25/60/288532560.db2.gz FUUSTHRBZJLWCW-HYVNUMGLSA-N 0 0 348.399 2.566 10 5 EFBERN CCc1ccc(C(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373630440 288533200 /nfs/dbraw/zinc/53/32/00/288533200.db2.gz SLBDRZZAZDUAEY-CRAIPNDOSA-N 0 0 348.399 2.567 10 5 EFBERN COc1ccc2c(c1)CCN2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000058717254 292669443 /nfs/dbraw/zinc/66/94/43/292669443.db2.gz FIHDUCLXFIHLOS-UHFFFAOYSA-N 0 0 341.367 2.995 10 5 EFBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066000125 292687893 /nfs/dbraw/zinc/68/78/93/292687893.db2.gz PBUXKJONGLNUHO-UHFFFAOYSA-N 0 0 340.426 2.912 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nnc2n1CCCCC2 ZINC000378204336 288806781 /nfs/dbraw/zinc/80/67/81/288806781.db2.gz LWPLEDHLNDKQKF-GFCCVEGCSA-N 0 0 327.388 2.864 10 5 EFBERN C[C@H](C(=O)N1CCCCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000356813960 289267923 /nfs/dbraw/zinc/26/79/23/289267923.db2.gz NNYDTSFTVGMPSG-STQMWFEESA-N 0 0 338.379 2.991 10 5 EFBERN Cc1ccn(C)c(=O)c1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439158998 292735000 /nfs/dbraw/zinc/73/50/00/292735000.db2.gz WZKKBTUVQNLBFG-UHFFFAOYSA-N 0 0 335.747 2.816 10 5 EFBERN C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000372866222 290360364 /nfs/dbraw/zinc/36/03/64/290360364.db2.gz BIVPDFHMEVASQC-LBPRGKRZSA-N 0 0 341.371 2.580 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(=O)Nc2ccccc21 ZINC000087299916 292827833 /nfs/dbraw/zinc/82/78/33/292827833.db2.gz PZDSXUBJGKGKHN-UHFFFAOYSA-N 0 0 339.351 2.903 10 5 EFBERN CN(C)c1nc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)ns1 ZINC000089658535 292835689 /nfs/dbraw/zinc/83/56/89/292835689.db2.gz OBNMYWQXLMDOSP-UHFFFAOYSA-N 0 0 345.331 2.726 10 5 EFBERN COc1cc(C)c(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000089836063 292841668 /nfs/dbraw/zinc/84/16/68/292841668.db2.gz SQZOXEZPGRFUAG-UHFFFAOYSA-N 0 0 344.367 2.893 10 5 EFBERN Cc1sc(C(=O)N2CCC[C@H]2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000118749120 292894996 /nfs/dbraw/zinc/89/49/96/292894996.db2.gz TVDYNSCRYKCPAU-JTQLQIEISA-N 0 0 326.374 2.521 10 5 EFBERN C[C@H](COc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000126181196 293031047 /nfs/dbraw/zinc/03/10/47/293031047.db2.gz SFGLRLKYGTXBTR-CQSZACIVSA-N 0 0 328.368 2.969 10 5 EFBERN CSCCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000126316883 293035273 /nfs/dbraw/zinc/03/52/73/293035273.db2.gz PIFLXQALPQIEGP-UHFFFAOYSA-N 0 0 334.401 2.654 10 5 EFBERN CC(C)COc1ccc([C@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000126351867 293036536 /nfs/dbraw/zinc/03/65/36/293036536.db2.gz ZTXVHIGEGOEOHU-LBPRGKRZSA-N 0 0 346.387 2.854 10 5 EFBERN Cc1cc(C)n(-c2ccc(Cn3cc([N+](=O)[O-])cc(C)c3=O)cc2)n1 ZINC000127159480 293061158 /nfs/dbraw/zinc/06/11/58/293061158.db2.gz JHVCZQOLRGDICH-UHFFFAOYSA-N 0 0 338.367 2.916 10 5 EFBERN CO[C@@H](C)c1cccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000127782491 293080882 /nfs/dbraw/zinc/08/08/82/293080882.db2.gz VJHZHAWMQZJMAS-NSHDSACASA-N 0 0 343.339 2.879 10 5 EFBERN COc1cccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000127912106 293085007 /nfs/dbraw/zinc/08/50/07/293085007.db2.gz KEFIIPPNJYQISS-UHFFFAOYSA-N 0 0 330.344 2.937 10 5 EFBERN COCCCOC1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000128737825 293113864 /nfs/dbraw/zinc/11/38/64/293113864.db2.gz PIYQJVZWQAQKTR-UHFFFAOYSA-N 0 0 334.294 2.855 10 5 EFBERN Cc1ccc(C[C@H](C)N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000128883684 293118084 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Cc1nn(C)c(N[C@H](C)C2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000302552498 311193055 /nfs/dbraw/zinc/19/30/55/311193055.db2.gz KFQPFNIWGJVKFO-SECBINFHSA-N 0 0 349.357 2.711 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H]1c1ccccc1 ZINC000302628653 311194512 /nfs/dbraw/zinc/19/45/12/311194512.db2.gz IRKHOKUKKPWQFS-HIFRSBDPSA-N 0 0 332.381 2.966 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1c1ccccc1 ZINC000302628651 311194706 /nfs/dbraw/zinc/19/47/06/311194706.db2.gz IRKHOKUKKPWQFS-DZGCQCFKSA-N 0 0 332.381 2.966 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCc4cc(Cl)ccc4C3)nn21 ZINC000302647324 311195225 /nfs/dbraw/zinc/19/52/25/311195225.db2.gz AVUUDVUCNMNQTB-UHFFFAOYSA-N 0 0 329.747 2.854 10 5 EFBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C2CC2)cc1 ZINC000302661598 311195430 /nfs/dbraw/zinc/19/54/30/311195430.db2.gz FDGBTULFQGPPAQ-UHFFFAOYSA-N 0 0 347.396 2.732 10 5 EFBERN COc1cc(NCCCc2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC000302669589 311196067 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CC(C)N1CC[C@@H](Nc2cc(Br)cc([N+](=O)[O-])c2)C1=O ZINC000330499329 311319792 /nfs/dbraw/zinc/31/97/92/311319792.db2.gz HPHXZECGHWYYOT-GFCCVEGCSA-N 0 0 342.193 2.779 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000330556315 311321819 /nfs/dbraw/zinc/32/18/19/311321819.db2.gz ZNJOCTKOZKJBKC-UHFFFAOYSA-N 0 0 342.417 2.654 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330719615 311330853 /nfs/dbraw/zinc/33/08/53/311330853.db2.gz DYSSOUFEFFKPET-XJKSGUPXSA-N 0 0 349.431 2.652 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330719609 311330956 /nfs/dbraw/zinc/33/09/56/311330956.db2.gz DYSSOUFEFFKPET-BBRMVZONSA-N 0 0 349.431 2.652 10 5 EFBERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000330749787 311332876 /nfs/dbraw/zinc/33/28/76/311332876.db2.gz HNIZVPCLRWHFQE-ZDUSSCGKSA-N 0 0 347.415 2.608 10 5 EFBERN C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000330806668 311336197 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311832683 /nfs/dbraw/zinc/83/26/83/311832683.db2.gz IDUNNAUCGIZYIR-IUCAKERBSA-N 0 0 347.281 2.928 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(CSCc3ccccn3)n2)n1C ZINC000350906548 311832826 /nfs/dbraw/zinc/83/28/26/311832826.db2.gz DWSUCIOZGQJJBH-UHFFFAOYSA-N 0 0 346.372 2.515 10 5 EFBERN CCC[C@@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350982394 311840227 /nfs/dbraw/zinc/84/02/27/311840227.db2.gz VISKZWGYGINBPB-LLVKDONJSA-N 0 0 332.360 2.740 10 5 EFBERN O=C(Cc1noc([C@@H]2CC=CCC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000350985319 311840495 /nfs/dbraw/zinc/84/04/95/311840495.db2.gz BJOFTPBORSEQEQ-CYBMUJFWSA-N 0 0 342.355 2.660 10 5 EFBERN CCO[C@H]1C[C@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000351167386 311860574 /nfs/dbraw/zinc/86/05/74/311860574.db2.gz VZCVHJZTJFWDOG-YPMHNXCESA-N 0 0 330.344 2.895 10 5 EFBERN COCC(C)(C)Cc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000351213773 311866406 /nfs/dbraw/zinc/86/64/06/311866406.db2.gz GTLQXAPQSDVBNE-UHFFFAOYSA-N 0 0 335.360 2.792 10 5 EFBERN Cn1cncc1Cc1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000351270536 311874504 /nfs/dbraw/zinc/87/45/04/311874504.db2.gz KYZGHOIGUOHVII-UONOGXRCSA-N 0 0 325.328 2.573 10 5 EFBERN COc1cc(Cc2noc([C@H](C)c3cncnc3)n2)ccc1[N+](=O)[O-] ZINC000351307805 311878339 /nfs/dbraw/zinc/87/83/39/311878339.db2.gz WIJRIBNDRXIVBB-SNVBAGLBSA-N 0 0 341.327 2.519 10 5 EFBERN C[C@@H]1CCn2ncc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)c2C1 ZINC000351332962 311880448 /nfs/dbraw/zinc/88/04/48/311880448.db2.gz QEQUBMIPYIECFU-SECBINFHSA-N 0 0 340.343 2.673 10 5 EFBERN Nc1c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000359973852 311914171 /nfs/dbraw/zinc/91/41/71/311914171.db2.gz MHDQINQVWDBMNR-OAHLLOKOSA-N 0 0 333.388 2.598 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C)=C[C@@H](C)C1 ZINC000411493079 311977930 /nfs/dbraw/zinc/97/79/30/311977930.db2.gz XWLMEAYIRPIVNT-SNVBAGLBSA-N 0 0 331.372 2.575 10 5 EFBERN CC1CCN(c2ccc(C(=O)Nc3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000412743853 312007117 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342.779 2.699 10 5 EFBERN COC(=O)c1cc(NC[C@@H](O)Cc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000474784599 313212363 /nfs/dbraw/zinc/21/23/63/313212363.db2.gz LZTMISOPQHQTEZ-HNNXBMFYSA-N 0 0 344.367 2.705 10 5 EFBERN CCOC(=O)c1ccnc(NC/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000477090856 313239673 /nfs/dbraw/zinc/23/96/73/313239673.db2.gz NGJPQGDFZWXKGA-TWGQIWQCSA-N 0 0 327.340 2.714 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CO)c1cccnc1 ZINC000479616014 313272607 /nfs/dbraw/zinc/27/26/07/313272607.db2.gz FAWRRMOPNFFHIO-CQSZACIVSA-N 0 0 344.371 2.504 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC/C=C/c1ccccc1 ZINC000479994327 313277946 /nfs/dbraw/zinc/27/79/46/313277946.db2.gz JWICYFOKWYWBOW-UXBLZVDNSA-N 0 0 332.381 2.895 10 5 EFBERN C[C@@H](COc1cccc(F)c1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000485831655 313330480 /nfs/dbraw/zinc/33/04/80/313330480.db2.gz PNJIVKFWPSBOAY-JTQLQIEISA-N 0 0 330.319 2.912 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)n1 ZINC000487078967 313363939 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O=C1CN(c2c3ccccc3ncc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000488126555 313459809 /nfs/dbraw/zinc/45/98/09/313459809.db2.gz IJODFENPPQOWHK-UHFFFAOYSA-N 0 0 348.362 2.949 10 5 EFBERN O=C(NCCC1(F)CCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000488705452 313504769 /nfs/dbraw/zinc/50/47/69/313504769.db2.gz VISPPJPYWDRBEI-UHFFFAOYSA-N 0 0 342.392 2.691 10 5 EFBERN COCCc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n(C)n1 ZINC000489286046 313557381 /nfs/dbraw/zinc/55/73/81/313557381.db2.gz BLZMOMYDUFTRLL-UHFFFAOYSA-N 0 0 344.327 2.516 10 5 EFBERN COC(=O)C1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCCCCC1 ZINC000492678731 314082815 /nfs/dbraw/zinc/08/28/15/314082815.db2.gz FLCRUIUXKZSKGW-UHFFFAOYSA-N 0 0 336.388 2.959 10 5 EFBERN CC1(C)CC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)O1 ZINC000492791002 314126083 /nfs/dbraw/zinc/12/60/83/314126083.db2.gz QKPJGRSSTWIIQC-JTQLQIEISA-N 0 0 344.314 2.884 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000493986766 314528110 /nfs/dbraw/zinc/52/81/10/314528110.db2.gz XOMIPPNGMDNLSN-CYBMUJFWSA-N 0 0 326.418 2.878 10 5 EFBERN Cc1ccn2c(c1)nnc2NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000088254174 441501999 /nfs/dbraw/zinc/50/19/99/441501999.db2.gz DRSJLJHVXDMUKA-UHFFFAOYSA-N 0 0 325.328 2.517 10 5 EFBERN NC(=O)C[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000497207680 315350690 /nfs/dbraw/zinc/35/06/90/315350690.db2.gz YWGHUTBHFRJWAO-NSHDSACASA-N 0 0 347.396 2.680 10 5 EFBERN Cc1c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)sc2nccn12 ZINC000505404983 315456506 /nfs/dbraw/zinc/45/65/06/315456506.db2.gz SFSYGFXRNZUHIG-UHFFFAOYSA-N 0 0 328.353 2.815 10 5 EFBERN COc1cccc([C@H](C)N2CCN(c3ccncc3[N+](=O)[O-])CC2)c1 ZINC000505613202 315461683 /nfs/dbraw/zinc/46/16/83/315461683.db2.gz QXTQRUTYYUBBQD-AWEZNQCLSA-N 0 0 342.399 2.882 10 5 EFBERN COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1C ZINC000507147330 315475780 /nfs/dbraw/zinc/47/57/80/315475780.db2.gz ZWIAFIRVCDOVQY-UHFFFAOYSA-N 0 0 335.341 2.707 10 5 EFBERN O=C(COc1ccccc1)N1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000509479016 315501546 /nfs/dbraw/zinc/50/15/46/315501546.db2.gz MCCVPBQXWRKOEM-AWEZNQCLSA-N 0 0 341.367 2.687 10 5 EFBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@H]1CCc2ccccc2C1 ZINC000513639653 315534510 /nfs/dbraw/zinc/53/45/10/315534510.db2.gz DVSQDTFDZMMRBP-LBPRGKRZSA-N 0 0 336.347 2.996 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CCC(=O)c2cccn21 ZINC000515336819 315609143 /nfs/dbraw/zinc/60/91/43/315609143.db2.gz QBQPXGKPXCINBN-MEDUHNTESA-N 0 0 339.351 2.892 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC12CCC(CC1)CC2 ZINC000516955281 315723230 /nfs/dbraw/zinc/72/32/30/315723230.db2.gz KFGTXBBLWQBYGA-UHFFFAOYSA-N 0 0 333.388 2.996 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(CC)CC ZINC000517069034 315736517 /nfs/dbraw/zinc/73/65/17/315736517.db2.gz RIZROMCGZIXVQA-UHFFFAOYSA-N 0 0 337.376 2.627 10 5 EFBERN COC(=O)[C@@]1(C)CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000517233575 315748736 /nfs/dbraw/zinc/74/87/36/315748736.db2.gz VRGGTIIFCGMQDD-KRWDZBQOSA-N 0 0 333.388 2.648 10 5 EFBERN Cc1ccc(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)s1 ZINC000517935369 315788781 /nfs/dbraw/zinc/78/87/81/315788781.db2.gz RXMNAOOLXPRRNI-UHFFFAOYSA-N 0 0 332.381 2.888 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)Cc1cnn(C)c1C ZINC000518691062 315823602 /nfs/dbraw/zinc/82/36/02/315823602.db2.gz BKZFCAQCNMYSOC-UHFFFAOYSA-N 0 0 341.371 2.830 10 5 EFBERN CC(C)CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000520291141 315944436 /nfs/dbraw/zinc/94/44/36/315944436.db2.gz RGXWOLDUAGNPKD-UHFFFAOYSA-N 0 0 331.420 2.991 10 5 EFBERN COC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521336504 316016085 /nfs/dbraw/zinc/01/60/85/316016085.db2.gz JOJAAXIVQMEMHF-UHFFFAOYSA-N 0 0 346.314 2.549 10 5 EFBERN Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)n2)cc1 ZINC000522961530 316106608 /nfs/dbraw/zinc/10/66/08/316106608.db2.gz ZKKSWMGVAJAOIQ-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000524872745 316179855 /nfs/dbraw/zinc/17/98/55/316179855.db2.gz XWHGYPOXXOOISE-BDAKNGLRSA-N 0 0 332.809 2.976 10 5 EFBERN C[C@@H]1C[C@@H](C)N1C(=O)c1cc(C(=O)N2[C@H](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000527182372 316343931 /nfs/dbraw/zinc/34/39/31/316343931.db2.gz GKVNGVXHDOTLOR-FDYHWXHSSA-N 0 0 345.399 2.841 10 5 EFBERN C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000527228966 316352369 /nfs/dbraw/zinc/35/23/69/316352369.db2.gz XMDZYDVLTBQQDD-DOMZBBRYSA-N 0 0 342.351 2.655 10 5 EFBERN COC(=O)c1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC000530436868 317126511 /nfs/dbraw/zinc/12/65/11/317126511.db2.gz UTFPCOTVXXXSOZ-UHFFFAOYSA-N 0 0 337.335 2.964 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000530510571 317140131 /nfs/dbraw/zinc/14/01/31/317140131.db2.gz QVTJAAONUCUERH-GRYCIOLGSA-N 0 0 334.372 2.873 10 5 EFBERN CCOc1cc(N2C[C@@H](CC)O[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000530536881 317143821 /nfs/dbraw/zinc/14/38/21/317143821.db2.gz UEEMIWIVPFICCO-PBHICJAKSA-N 0 0 336.388 2.768 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000530702771 317168299 /nfs/dbraw/zinc/16/82/99/317168299.db2.gz HGMYYHYAKUVKNS-ZIAGYGMSSA-N 0 0 333.388 2.805 10 5 EFBERN COc1ccc(CC(=O)N2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000530849622 317186320 /nfs/dbraw/zinc/18/63/20/317186320.db2.gz AQKZYLWTMRPWMW-SFHVURJKSA-N 0 0 348.399 2.565 10 5 EFBERN COC1CCC(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000531175147 317230515 /nfs/dbraw/zinc/23/05/15/317230515.db2.gz VXSSEFUYAFVICA-UHFFFAOYSA-N 0 0 332.360 2.861 10 5 EFBERN COCCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531624143 317292848 /nfs/dbraw/zinc/29/28/48/317292848.db2.gz GKKLGRHRUKKWGC-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1cccc(Cl)c1 ZINC000531628112 317293556 /nfs/dbraw/zinc/29/35/56/317293556.db2.gz GVFKZDYQDORZJQ-JTQLQIEISA-N 0 0 335.747 2.841 10 5 EFBERN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531631970 317294160 /nfs/dbraw/zinc/29/41/60/317294160.db2.gz XQOZPGMUPGCNBY-UHFFFAOYSA-N 0 0 346.290 2.737 10 5 EFBERN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](COC)Cc1ccccc1 ZINC000531631981 317294199 /nfs/dbraw/zinc/29/41/99/317294199.db2.gz AKCWKJFVDPFBML-INIZCTEOSA-N 0 0 343.383 2.710 10 5 EFBERN Cc1sc(C(=O)NCc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000531671957 317299154 /nfs/dbraw/zinc/29/91/54/317299154.db2.gz WBJIQIVHEBPZKT-UHFFFAOYSA-N 0 0 348.306 2.654 10 5 EFBERN CNc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000531866794 317324583 /nfs/dbraw/zinc/32/45/83/317324583.db2.gz VHCYGXVKQQCQBC-CQSZACIVSA-N 0 0 347.396 2.912 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000531881466 317327397 /nfs/dbraw/zinc/32/73/97/317327397.db2.gz MLNAFVZXTBAQRF-CYBMUJFWSA-N 0 0 343.339 2.642 10 5 EFBERN O=C(NC[C@@H]1SCCc2ccccc21)c1ccc([N+](=O)[O-])cn1 ZINC000531887874 317328335 /nfs/dbraw/zinc/32/83/35/317328335.db2.gz WWVLHDOPFQWROT-HNNXBMFYSA-N 0 0 329.381 2.750 10 5 EFBERN O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccc([N+](=O)[O-])cn1 ZINC000531898131 317329720 /nfs/dbraw/zinc/32/97/20/317329720.db2.gz QCZOLOXRXHHHLC-UHFFFAOYSA-N 0 0 327.218 2.967 10 5 EFBERN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(OC)c(OC)c1 ZINC000532134386 317359815 /nfs/dbraw/zinc/35/98/15/317359815.db2.gz ZVSOMIUDZJRKCF-UHFFFAOYSA-N 0 0 331.328 2.674 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N(CC(F)(F)F)c1ccccn1 ZINC000532136934 317360408 /nfs/dbraw/zinc/36/04/08/317360408.db2.gz RRDMHERVOZJXAC-UHFFFAOYSA-N 0 0 326.234 2.594 10 5 EFBERN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000532137210 317360658 /nfs/dbraw/zinc/36/06/58/317360658.db2.gz SUFQFIGOLGBUTF-PBHICJAKSA-N 0 0 341.367 2.888 10 5 EFBERN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532142922 317361991 /nfs/dbraw/zinc/36/19/91/317361991.db2.gz JSJFDDVPFWNUJG-UHFFFAOYSA-N 0 0 342.355 2.770 10 5 EFBERN CNc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000532345527 317389099 /nfs/dbraw/zinc/38/90/99/317389099.db2.gz AABSBYSQUVMENG-WBMJQRKESA-N 0 0 343.387 2.556 10 5 EFBERN Cc1csc(N(CC(F)(F)F)C(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000532391128 317394155 /nfs/dbraw/zinc/39/41/55/317394155.db2.gz SUXUFYGSTPHECD-UHFFFAOYSA-N 0 0 346.290 2.964 10 5 EFBERN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000532391684 317394968 /nfs/dbraw/zinc/39/49/68/317394968.db2.gz VZKFMWKNOVOTFW-UHFFFAOYSA-N 0 0 334.719 2.854 10 5 EFBERN CCN(CCCNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000532397420 317395750 /nfs/dbraw/zinc/39/57/50/317395750.db2.gz LFZWGJVXJOIAOP-UHFFFAOYSA-N 0 0 328.372 2.636 10 5 EFBERN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1C ZINC000532398954 317396317 /nfs/dbraw/zinc/39/63/17/317396317.db2.gz IJYRQJTYLNXROI-UHFFFAOYSA-N 0 0 335.341 2.789 10 5 EFBERN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532398817 317396357 /nfs/dbraw/zinc/39/63/57/317396357.db2.gz SPSPIWWKOCSTGF-OAHLLOKOSA-N 0 0 343.339 2.800 10 5 EFBERN O=C(NCCC[C@H]1CCCC[C@H]1O)NCc1cccc([N+](=O)[O-])c1 ZINC000532734730 317436518 /nfs/dbraw/zinc/43/65/18/317436518.db2.gz YAGIBUAEDZBLGA-GDBMZVCRSA-N 0 0 335.404 2.725 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCCc1ccsc1 ZINC000533115068 317475485 /nfs/dbraw/zinc/47/54/85/317475485.db2.gz DQJLNMRRCXALCK-UHFFFAOYSA-N 0 0 335.385 2.577 10 5 EFBERN CNc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000533366984 317497446 /nfs/dbraw/zinc/49/74/46/317497446.db2.gz CIWWFVPKJMAQLV-UONOGXRCSA-N 0 0 333.388 2.525 10 5 EFBERN CCOc1cc(Cl)ccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533560369 317513900 /nfs/dbraw/zinc/51/39/00/317513900.db2.gz BIAHMQSCAFBLJN-UHFFFAOYSA-N 0 0 335.747 2.972 10 5 EFBERN CCc1noc(C)c1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000534373248 317549773 /nfs/dbraw/zinc/54/97/73/317549773.db2.gz VIYTWKLHHJAEFB-UHFFFAOYSA-N 0 0 334.332 2.654 10 5 EFBERN CC(C)c1nc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc2o1 ZINC000537917373 317685310 /nfs/dbraw/zinc/68/53/10/317685310.db2.gz QBJWNRMNLYMMMN-UHFFFAOYSA-N 0 0 329.316 2.845 10 5 EFBERN CCC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)OC ZINC000539139184 317715726 /nfs/dbraw/zinc/71/57/26/317715726.db2.gz APKJTYSEMIPHLE-ZDUSSCGKSA-N 0 0 336.388 2.964 10 5 EFBERN Cc1ccccc1[C@@H](CO)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540399182 317743937 /nfs/dbraw/zinc/74/39/37/317743937.db2.gz WEOZVMCPGDSPOY-XJKSGUPXSA-N 0 0 343.383 2.997 10 5 EFBERN CC(C)(C)OC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000540947967 317761708 /nfs/dbraw/zinc/76/17/08/317761708.db2.gz WDRPADRVEWYJIX-UHFFFAOYSA-N 0 0 337.376 2.622 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000544731114 317895528 /nfs/dbraw/zinc/89/55/28/317895528.db2.gz QCDHRYCZNXRGGC-UHFFFAOYSA-N 0 0 339.355 2.548 10 5 EFBERN Cc1oc2ccccc2c1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545924530 317940489 /nfs/dbraw/zinc/94/04/89/317940489.db2.gz BVJMDZPVFKDGLF-UHFFFAOYSA-N 0 0 327.340 2.960 10 5 EFBERN Cc1ccc([C@H](C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000546175448 317955281 /nfs/dbraw/zinc/95/52/81/317955281.db2.gz BKLGDKFHMXVOMA-CYBMUJFWSA-N 0 0 334.397 2.985 10 5 EFBERN CC(=O)Nc1ccc(-c2noc(-c3cc([N+](=O)[O-])cn3C)n2)cc1 ZINC000546338380 317958384 /nfs/dbraw/zinc/95/83/84/317958384.db2.gz ZUGMWYDREXVLEC-UHFFFAOYSA-N 0 0 327.300 2.609 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)CCC(=O)N3)no1 ZINC000546478688 317961860 /nfs/dbraw/zinc/96/18/60/317961860.db2.gz NLTMUYXIHLVQIJ-UHFFFAOYSA-N 0 0 339.311 2.535 10 5 EFBERN O=C1CCc2cc(-c3noc(-c4ccc([N+](=O)[O-])cn4)n3)ccc2N1 ZINC000547184323 317990629 /nfs/dbraw/zinc/99/06/29/317990629.db2.gz MSWKTAVZHJXCEF-UHFFFAOYSA-N 0 0 337.295 2.592 10 5 EFBERN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C ZINC000547343751 317998448 /nfs/dbraw/zinc/99/84/48/317998448.db2.gz HTBFQQNEUUKPRQ-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ncc2ccccc21 ZINC000547371675 318001712 /nfs/dbraw/zinc/00/17/12/318001712.db2.gz PMLFDWNANJSORQ-UHFFFAOYSA-N 0 0 340.339 2.982 10 5 EFBERN CC(C)(CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1=CCCCC1 ZINC000547793831 318042229 /nfs/dbraw/zinc/04/22/29/318042229.db2.gz XIWIJSQSBDOODP-UHFFFAOYSA-N 0 0 339.417 2.795 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccncc1C(F)(F)F ZINC000548711505 318135130 /nfs/dbraw/zinc/13/51/30/318135130.db2.gz HFKUOQMVFCBJML-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000548763599 318141449 /nfs/dbraw/zinc/14/14/49/318141449.db2.gz DHLXMRSUCGSJAT-KRWDZBQOSA-N 0 0 331.347 2.953 10 5 EFBERN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000549077419 318163752 /nfs/dbraw/zinc/16/37/52/318163752.db2.gz KMBRZXHNEOIHLD-ZDUSSCGKSA-N 0 0 331.303 2.555 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc21 ZINC000549773369 318182247 /nfs/dbraw/zinc/18/22/47/318182247.db2.gz OIWRPLNMRPPXRO-FZMZJTMJSA-N 0 0 328.372 2.975 10 5 EFBERN COCC1(c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000551172922 318202517 /nfs/dbraw/zinc/20/25/17/318202517.db2.gz OVCUXIREAOWRJC-LBPRGKRZSA-N 0 0 347.371 2.824 10 5 EFBERN COC(=O)c1cc(C)nc(NCCc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000553108653 318271170 /nfs/dbraw/zinc/27/11/70/318271170.db2.gz RBOWXCPSJHQTLY-UHFFFAOYSA-N 0 0 347.346 2.609 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2ccc(F)c(OC)c2)c1[N+](=O)[O-] ZINC000553213496 318275400 /nfs/dbraw/zinc/27/54/00/318275400.db2.gz ZZSHDQYNOAOXJT-UHFFFAOYSA-N 0 0 335.291 2.976 10 5 EFBERN C[C@H](NC(=O)c1cc(-c2ccn(C)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000553334359 318279713 /nfs/dbraw/zinc/27/97/13/318279713.db2.gz KBQYGUFLTDDKOW-NSHDSACASA-N 0 0 339.355 2.814 10 5 EFBERN CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000553559344 318287380 /nfs/dbraw/zinc/28/73/80/318287380.db2.gz JQJKJSRVDZEINA-NHYWBVRUSA-N 0 0 333.388 2.713 10 5 EFBERN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C1CC1 ZINC000554659104 318331947 /nfs/dbraw/zinc/33/19/47/318331947.db2.gz XGSNXQGONRAMQD-UHFFFAOYSA-N 0 0 329.360 2.972 10 5 EFBERN Cc1ccc(CS(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)cc1C ZINC000554709204 318333569 /nfs/dbraw/zinc/33/35/69/318333569.db2.gz QSTIXTUIOHSJDB-UHFFFAOYSA-N 0 0 348.424 2.874 10 5 EFBERN Cc1ccc(OC[C@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554849368 318338108 /nfs/dbraw/zinc/33/81/08/318338108.db2.gz YIYPGMSSHRDWNL-GOSISDBHSA-N 0 0 344.411 2.817 10 5 EFBERN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1c[nH]nc1[N+](=O)[O-] ZINC000554863887 318338711 /nfs/dbraw/zinc/33/87/11/318338711.db2.gz PTYIDVNBEUDBAV-LLVKDONJSA-N 0 0 336.735 2.615 10 5 EFBERN CNS(=O)(=O)c1ccc(NC2CC(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000555207349 318349007 /nfs/dbraw/zinc/34/90/07/318349007.db2.gz XJQULUGBBFGFOK-UHFFFAOYSA-N 0 0 341.433 2.740 10 5 EFBERN COC(=O)[C@H](Cc1ccc(C)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000555413431 318356206 /nfs/dbraw/zinc/35/62/06/318356206.db2.gz RKMXJRYWTYLKHV-KRWDZBQOSA-N 0 0 328.368 2.777 10 5 EFBERN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556742103 318405090 /nfs/dbraw/zinc/40/50/90/318405090.db2.gz ZILCOHSQKHNHDO-UKRRQHHQSA-N 0 0 347.415 2.606 10 5 EFBERN CO[C@@H]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000557105742 318426812 /nfs/dbraw/zinc/42/68/12/318426812.db2.gz YPASVLSEHDTPIU-RHSMWYFYSA-N 0 0 345.399 2.940 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3c[nH]nc3C)CC2)c1 ZINC000557671549 318446481 /nfs/dbraw/zinc/44/64/81/318446481.db2.gz VOQLNASBLYYGEL-UHFFFAOYSA-N 0 0 344.371 2.797 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000557687891 318447421 /nfs/dbraw/zinc/44/74/21/318447421.db2.gz ZEWCYYZJYAHUES-JTQLQIEISA-N 0 0 343.330 2.744 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCc3cc(C)ccc3C2)c1[N+](=O)[O-] ZINC000557682748 318447441 /nfs/dbraw/zinc/44/74/41/318447441.db2.gz PVVNHIOKYAYBTH-UHFFFAOYSA-N 0 0 341.367 2.956 10 5 EFBERN CC(C)(NC(=O)Cn1cnc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000557975797 318455424 /nfs/dbraw/zinc/45/54/24/318455424.db2.gz ZTDDRVOPTWZDIS-UHFFFAOYSA-N 0 0 342.399 2.722 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000558815993 318493369 /nfs/dbraw/zinc/49/33/69/318493369.db2.gz LUOBESQWSSLQIE-JTQLQIEISA-N 0 0 345.302 2.839 10 5 EFBERN COc1cc(NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nn1C ZINC000560385167 318545019 /nfs/dbraw/zinc/54/50/19/318545019.db2.gz ZLBZALLCGPYUBI-UHFFFAOYSA-N 0 0 347.375 2.700 10 5 EFBERN C[C@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CS1 ZINC000560862876 318579600 /nfs/dbraw/zinc/57/96/00/318579600.db2.gz TVGPPTHVMZQNSA-CMPLNLGQSA-N 0 0 348.428 2.812 10 5 EFBERN C[C@@H]1C[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000561125349 318588420 /nfs/dbraw/zinc/58/84/20/318588420.db2.gz RNTHJHYLPPEXQZ-HTQZYQBOSA-N 0 0 338.307 2.785 10 5 EFBERN C[C@H](Cc1ccccc1F)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561156640 318590368 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Cn1ncc2ccc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc21 ZINC000564649934 318877563 /nfs/dbraw/zinc/87/75/63/318877563.db2.gz WOGOBYNCJZGITK-UHFFFAOYSA-N 0 0 349.350 2.893 10 5 EFBERN COCC1(CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000564965840 318915831 /nfs/dbraw/zinc/91/58/31/318915831.db2.gz KTUWLTYOOVGCRH-MRXNPFEDSA-N 0 0 344.415 2.824 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000565009938 318920725 /nfs/dbraw/zinc/92/07/25/318920725.db2.gz PKGWSNREDGGPKY-WOSRLPQWSA-N 0 0 348.399 2.716 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1Cc2cccnc2C1 ZINC000565771366 319001140 /nfs/dbraw/zinc/00/11/40/319001140.db2.gz SAXCPPYOPFEPIA-JTQLQIEISA-N 0 0 346.774 2.986 10 5 EFBERN C[C@H]1OCC[C@]12CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)C[C@@H](C)O2 ZINC000566148986 319040529 /nfs/dbraw/zinc/04/05/29/319040529.db2.gz JFDLHSIRGJFMAW-VFVRVIDISA-N 0 0 347.415 2.641 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000566371706 319068346 /nfs/dbraw/zinc/06/83/46/319068346.db2.gz FMTYWRLNZUHGNE-JOYOIKCWSA-N 0 0 346.330 2.723 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000566482080 319082650 /nfs/dbraw/zinc/08/26/50/319082650.db2.gz JZCACGOLEVHGSK-GFCCVEGCSA-N 0 0 335.404 2.721 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000566570212 319090760 /nfs/dbraw/zinc/09/07/60/319090760.db2.gz MBSNLAIDDMXSQA-YRGRVCCFSA-N 0 0 334.420 2.644 10 5 EFBERN O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000567219650 319150217 /nfs/dbraw/zinc/15/02/17/319150217.db2.gz TUFUODVLZPOONK-AWEZNQCLSA-N 0 0 326.356 2.728 10 5 EFBERN CC(C)Oc1nc(NCC2(CO)CC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000567366773 319165198 /nfs/dbraw/zinc/16/51/98/319165198.db2.gz JSHIJANSERYSNR-UHFFFAOYSA-N 0 0 335.404 2.554 10 5 EFBERN COc1ccc(NC(=O)c2cnn3c2C[C@@H](C)CC3)c([N+](=O)[O-])c1 ZINC000567590073 319186060 /nfs/dbraw/zinc/18/60/60/319186060.db2.gz OZGJTSAPMWLOEW-JTQLQIEISA-N 0 0 330.344 2.635 10 5 EFBERN Cc1noc([C@@H]2CCCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)n1 ZINC000567751784 319208064 /nfs/dbraw/zinc/20/80/64/319208064.db2.gz NMXUDVNGRDYMEP-CYBMUJFWSA-N 0 0 343.387 2.944 10 5 EFBERN CC(C)(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1(O)CCOCC1 ZINC000567767297 319209063 /nfs/dbraw/zinc/20/90/63/319209063.db2.gz IDJORPFTCJPACX-UHFFFAOYSA-N 0 0 349.431 2.848 10 5 EFBERN Cc1c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000567926794 319226768 /nfs/dbraw/zinc/22/67/68/319226768.db2.gz PAJGDDDVOGCDRL-KRWDZBQOSA-N 0 0 325.368 2.602 10 5 EFBERN C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@]2(CCCOC2)O1 ZINC000568081357 319244797 /nfs/dbraw/zinc/24/47/97/319244797.db2.gz BYQSOFFXYZZFEI-ACJLOTCBSA-N 0 0 347.415 2.643 10 5 EFBERN CCCc1ncc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])o1 ZINC000568355181 319273602 /nfs/dbraw/zinc/27/36/02/319273602.db2.gz DRIWWECGAICGFE-UHFFFAOYSA-N 0 0 329.316 2.796 10 5 EFBERN COCC1(CCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000568516167 319291721 /nfs/dbraw/zinc/29/17/21/319291721.db2.gz RKWSEGWGSYHQRN-UHFFFAOYSA-N 0 0 336.388 2.605 10 5 EFBERN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C1Cc2ccccc2C1 ZINC000568567527 319295506 /nfs/dbraw/zinc/29/55/06/319295506.db2.gz QLXGYGPOSNLEBO-UHFFFAOYSA-N 0 0 349.394 2.994 10 5 EFBERN COC1CCC(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000568657466 319306545 /nfs/dbraw/zinc/30/65/45/319306545.db2.gz SXIQWSWLHXBDAL-UHFFFAOYSA-N 0 0 349.431 2.984 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000568873636 319326616 /nfs/dbraw/zinc/32/66/16/319326616.db2.gz BQBHSAMDDUGUEQ-CMPLNLGQSA-N 0 0 326.418 2.844 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCc3ccccc32)n1 ZINC000568946726 319331846 /nfs/dbraw/zinc/33/18/46/319331846.db2.gz KNZHQVPSGCLCTH-AWEZNQCLSA-N 0 0 328.372 2.961 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000569104856 319348644 /nfs/dbraw/zinc/34/86/44/319348644.db2.gz MAIMTZBGVOXSCI-SNVBAGLBSA-N 0 0 330.344 2.635 10 5 EFBERN CC(C)Oc1nc(N[C@@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000569259170 319364308 /nfs/dbraw/zinc/36/43/08/319364308.db2.gz UISHYSMTDAHUTJ-MEDUHNTESA-N 0 0 349.362 2.872 10 5 EFBERN CC(C)Oc1nc(N[C@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000569259169 319364312 /nfs/dbraw/zinc/36/43/12/319364312.db2.gz UISHYSMTDAHUTJ-BZNIZROVSA-N 0 0 349.362 2.872 10 5 EFBERN COC(=O)c1ncccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569306928 319366926 /nfs/dbraw/zinc/36/69/26/319366926.db2.gz ZQRDFXPTXZMPIR-SNVBAGLBSA-N 0 0 329.312 2.519 10 5 EFBERN COC(=O)CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000569347155 319372276 /nfs/dbraw/zinc/37/22/76/319372276.db2.gz ORSJHEDARDWAGL-UHFFFAOYSA-N 0 0 347.396 2.904 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCN(CC(F)(F)F)C1)CCCC2 ZINC000569964193 319431547 /nfs/dbraw/zinc/43/15/47/319431547.db2.gz JUGXXQIZCRTBNY-LLVKDONJSA-N 0 0 344.337 2.917 10 5 EFBERN Cc1ncsc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570430980 319476318 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CCc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1CC ZINC000182288120 323275153 /nfs/dbraw/zinc/27/51/53/323275153.db2.gz WRLGVCDHEHPMLV-UHFFFAOYSA-N 0 0 329.356 2.520 10 5 EFBERN Cc1cc(NC(=O)Cn2cc(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000182412644 323281811 /nfs/dbraw/zinc/28/18/11/323281811.db2.gz CNAXJHLBDDEJCV-UHFFFAOYSA-N 0 0 337.339 2.800 10 5 EFBERN Cc1cc(NC(=O)Cn2ccc(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000182410928 323281930 /nfs/dbraw/zinc/28/19/30/323281930.db2.gz TUYBRGKHJHZBGF-UHFFFAOYSA-N 0 0 337.335 2.857 10 5 EFBERN CCc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1CC ZINC000182723600 323298449 /nfs/dbraw/zinc/29/84/49/323298449.db2.gz IBVIGJGVOAIVNR-UHFFFAOYSA-N 0 0 331.376 2.738 10 5 EFBERN C[C@H](CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccs1 ZINC000183334907 323329800 /nfs/dbraw/zinc/32/98/00/323329800.db2.gz XUFGFPISKPHCIP-MRVPVSSYSA-N 0 0 347.443 2.537 10 5 EFBERN C[C@@H](CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccs1 ZINC000183334891 323330355 /nfs/dbraw/zinc/33/03/55/323330355.db2.gz 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335.364 2.561 10 5 EFBERN C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cncnc1 ZINC000618931338 450345803 /nfs/dbraw/zinc/34/58/03/450345803.db2.gz BUZXPBGTZSUXIH-JTQLQIEISA-N 0 0 338.327 2.517 10 5 EFBERN CCOc1ccc(C(=O)Nc2nnc3cc(C)ccn32)cc1[N+](=O)[O-] ZINC000088254363 462621020 /nfs/dbraw/zinc/62/10/20/462621020.db2.gz NBETVIDULPWDOZ-UHFFFAOYSA-N 0 0 341.327 2.597 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000600208285 468496516 /nfs/dbraw/zinc/49/65/16/468496516.db2.gz PVICXIJJOUFXJS-UKRRQHHQSA-N 0 0 340.383 2.954 10 5 EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000111358571 473209795 /nfs/dbraw/zinc/20/97/95/473209795.db2.gz PZWBQNPXSMXOGH-DOTOQJQBSA-N 0 0 346.408 2.818 10 5 EFBERN CC(C)c1noc(CCCNC(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000161175563 473215009 /nfs/dbraw/zinc/21/50/09/473215009.db2.gz ZWQKXORYPXIAOB-UHFFFAOYSA-N 0 0 347.375 2.533 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 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O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cn1 ZINC000531898160 468083638 /nfs/dbraw/zinc/08/36/38/468083638.db2.gz YHDDZJFKQKBETD-UHFFFAOYSA-N 0 0 344.718 2.681 10 5 EFBERN CNc1ccc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)cc1[N+](=O)[O-] ZINC000533463958 468201904 /nfs/dbraw/zinc/20/19/04/468201904.db2.gz PKDRLQSRCHRUNA-UHFFFAOYSA-N 0 0 329.238 2.631 10 5 EFBERN C[C@@](O)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000190518968 473304001 /nfs/dbraw/zinc/30/40/01/473304001.db2.gz BCAZVVIXAJCUAA-GOSISDBHSA-N 0 0 349.431 2.844 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000124790843 473305187 /nfs/dbraw/zinc/30/51/87/473305187.db2.gz RTTDEPPGJROKAP-LLVKDONJSA-N 0 0 345.321 2.612 10 5 EFBERN COC(=O)C1(N(C)C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000185029404 473306013 /nfs/dbraw/zinc/30/60/13/473306013.db2.gz FJZKDEBHTAVYRQ-OUKQBFOZSA-N 0 0 346.383 2.942 10 5 EFBERN Cn1nc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1C1CC1 ZINC000601166144 468767460 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Cc1nc(C[C@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000171232634 473331804 /nfs/dbraw/zinc/33/18/04/473331804.db2.gz HDTMRAROYWZABP-LLVKDONJSA-N 0 0 348.334 2.520 10 5 EFBERN COc1cc(C)cc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000162376100 473332225 /nfs/dbraw/zinc/33/22/25/473332225.db2.gz GKFFAKIUINPOBG-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC000171234467 473333203 /nfs/dbraw/zinc/33/32/03/473333203.db2.gz XKUVQUWCBIUSMP-LLVKDONJSA-N 0 0 348.334 2.520 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083243446 473337984 /nfs/dbraw/zinc/33/79/84/473337984.db2.gz AGNLJRBKVDKWCC-NSHDSACASA-N 0 0 347.371 2.900 10 5 EFBERN COCCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000185141404 473340068 /nfs/dbraw/zinc/34/00/68/473340068.db2.gz DCUWBQBYXQMQKI-UHFFFAOYSA-N 0 0 339.369 2.883 10 5 EFBERN COc1cc(C)cc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000162457355 473341822 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C[C@@H](NC(=O)c1ccco1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277230 473369233 /nfs/dbraw/zinc/36/92/33/473369233.db2.gz JHYCUHLCOIHNAK-SECBINFHSA-N 0 0 328.284 2.729 10 5 EFBERN O=C(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(F)c1 ZINC000096278080 473369678 /nfs/dbraw/zinc/36/96/78/473369678.db2.gz SXESGCUDWOUURZ-UHFFFAOYSA-N 0 0 342.286 2.714 10 5 EFBERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162724235 473374188 /nfs/dbraw/zinc/37/41/88/473374188.db2.gz IEPJFCXINRRRBN-UHFFFAOYSA-N 0 0 343.387 2.815 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC/C=C/c1ccccc1 ZINC000162718845 473374251 /nfs/dbraw/zinc/37/42/51/473374251.db2.gz MHVKCFLNGGPWAA-RMKNXTFCSA-N 0 0 346.408 2.770 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccnc2)CC1 ZINC000125208814 473374711 /nfs/dbraw/zinc/37/47/11/473374711.db2.gz OZYGMKWEDIBMOR-HNNXBMFYSA-N 0 0 326.400 2.869 10 5 EFBERN COc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000185253279 473378048 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CC[C@@H]1[C@H](CO)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000395242458 476842367 /nfs/dbraw/zinc/84/23/67/476842367.db2.gz ZGQFWFYYXJLILZ-WCQYABFASA-N 0 0 343.221 2.950 10 5 EFBERN COc1cc(C(=O)NC[C@H](C)c2ccncc2)cc([N+](=O)[O-])c1C ZINC000616364087 479888958 /nfs/dbraw/zinc/88/89/58/479888958.db2.gz IQPXZALJWXBOMY-NSHDSACASA-N 0 0 329.356 2.840 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000516971526 478025669 /nfs/dbraw/zinc/02/56/69/478025669.db2.gz DFIJXKKCJKAZQN-NWDGAFQWSA-N 0 0 340.383 2.965 10 5 EFBERN Cc1ccccc1C1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000592139414 478793382 /nfs/dbraw/zinc/79/33/82/478793382.db2.gz FMRSZIGMECNOQO-UHFFFAOYSA-N 0 0 325.368 2.781 10 5 EFBERN O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594166790 479618588 /nfs/dbraw/zinc/61/85/88/479618588.db2.gz YKGUKBIZYDQFFI-VXGBXAGGSA-N 0 0 332.278 2.825 10 5 EFBERN C[C@H](CCO)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000593881741 479495851 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CC(=O)c1ccc(NC2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000026716545 472145063 /nfs/dbraw/zinc/14/50/63/472145063.db2.gz SQOMYUXFUJGADD-UHFFFAOYSA-N 0 0 333.388 2.856 10 5 EFBERN CC(C)COC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068217898 472150292 /nfs/dbraw/zinc/15/02/92/472150292.db2.gz PSGWCGSGEVVAML-UHFFFAOYSA-N 0 0 335.404 2.670 10 5 EFBERN O=[N+]([O-])c1cn(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cn1 ZINC000026982289 472158702 /nfs/dbraw/zinc/15/87/02/472158702.db2.gz FGZARZONTWXRQG-UHFFFAOYSA-N 0 0 339.233 2.908 10 5 EFBERN Cc1noc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000042703402 472161887 /nfs/dbraw/zinc/16/18/87/472161887.db2.gz OLFWGWHUXHSFPM-JTQLQIEISA-N 0 0 345.359 2.775 10 5 EFBERN COc1ccc(F)cc1CSc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000075582463 472162408 /nfs/dbraw/zinc/16/24/08/472162408.db2.gz OAFSNAFPELNUKJ-UHFFFAOYSA-N 0 0 337.332 2.529 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(c3ncnc4ccccc43)CC2)cc1 ZINC000027534393 472180091 /nfs/dbraw/zinc/18/00/91/472180091.db2.gz LWDOGCOOCCFCOZ-UHFFFAOYSA-N 0 0 335.367 2.865 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])ccc1NCc1coc(-c2ccccc2)n1 ZINC000084564716 472193619 /nfs/dbraw/zinc/19/36/19/472193619.db2.gz LCJXJZOFXZUUQY-UHFFFAOYSA-N 0 0 338.323 2.961 10 5 EFBERN COCCNc1ccc(C(=O)OCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000027955557 472204419 /nfs/dbraw/zinc/20/44/19/472204419.db2.gz UVRZOJTWLPXDTQ-UHFFFAOYSA-N 0 0 349.343 2.615 10 5 EFBERN COCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000055571552 472205992 /nfs/dbraw/zinc/20/59/92/472205992.db2.gz RZLZOBOELFEIFJ-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1COc2ccccc2O1 ZINC000043149228 472206160 /nfs/dbraw/zinc/20/61/60/472206160.db2.gz JURTWEYMNQXMNQ-ZDUSSCGKSA-N 0 0 343.339 2.865 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000043268578 472215960 /nfs/dbraw/zinc/21/59/60/472215960.db2.gz FXXSXBXIEOCHTD-UHFFFAOYSA-N 0 0 347.331 2.693 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(F)cc1 ZINC000055651206 472219151 /nfs/dbraw/zinc/21/91/51/472219151.db2.gz JQOUPAUBUTYMCQ-UHFFFAOYSA-N 0 0 340.332 2.568 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000028266601 472220358 /nfs/dbraw/zinc/22/03/58/472220358.db2.gz RXBVNCPIZXLLRM-UHFFFAOYSA-N 0 0 343.339 2.679 10 5 EFBERN Cc1c(NC(=O)NC[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000043346826 472227038 /nfs/dbraw/zinc/22/70/38/472227038.db2.gz YJVYUBUCQSYZNJ-GFCCVEGCSA-N 0 0 343.339 2.865 10 5 EFBERN COc1cc(OC)cc(OCCCNc2ccncc2[N+](=O)[O-])c1 ZINC000084928754 472227402 /nfs/dbraw/zinc/22/74/02/472227402.db2.gz IFOGSFIZETYRLJ-UHFFFAOYSA-N 0 0 333.344 2.888 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CCCO1 ZINC000076015909 472240140 /nfs/dbraw/zinc/24/01/40/472240140.db2.gz XKZQFPZCCUXZFC-CXAGYDPISA-N 0 0 347.415 2.882 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CCCO1 ZINC000076015905 472240152 /nfs/dbraw/zinc/24/01/52/472240152.db2.gz XKZQFPZCCUXZFC-DYVFJYSZSA-N 0 0 347.415 2.882 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000068806252 472246428 /nfs/dbraw/zinc/24/64/28/472246428.db2.gz ZDPVAURMZFEUDK-QGZVFWFLSA-N 0 0 325.368 2.832 10 5 EFBERN Cc1cccc(CC2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)c1 ZINC000085458842 472251112 /nfs/dbraw/zinc/25/11/12/472251112.db2.gz SYVGRYBLPLZDNP-UHFFFAOYSA-N 0 0 325.368 2.800 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nnc2ccccn21 ZINC000085634738 472261080 /nfs/dbraw/zinc/26/10/80/472261080.db2.gz NTYCRQPFUMJJSU-UHFFFAOYSA-N 0 0 340.343 2.576 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)c(Cl)c1 ZINC000055942040 472261934 /nfs/dbraw/zinc/26/19/34/472261934.db2.gz HVTVEQUCOHGRHM-UHFFFAOYSA-N 0 0 340.788 2.769 10 5 EFBERN Cc1c(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000029253161 472263241 /nfs/dbraw/zinc/26/32/41/472263241.db2.gz SPJBSGBZCIAMHD-LBPRGKRZSA-N 0 0 343.387 2.712 10 5 EFBERN Cc1cc(N2CCC(COc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000085689587 472263638 /nfs/dbraw/zinc/26/36/38/472263638.db2.gz WDFJPYZPPGUWKA-UHFFFAOYSA-N 0 0 328.372 2.989 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCCC[C@H]1O ZINC000086014918 472271889 /nfs/dbraw/zinc/27/18/89/472271889.db2.gz HEHYKZWZKDYGCL-LDYMZIIASA-N 0 0 330.182 2.715 10 5 EFBERN COCCOc1ncccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000076157563 472287952 /nfs/dbraw/zinc/28/79/52/472287952.db2.gz HKOOLUVDYKVNGR-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000029900326 472303345 /nfs/dbraw/zinc/30/33/45/472303345.db2.gz SRCNBRYEEBVLDH-LBPRGKRZSA-N 0 0 343.387 2.712 10 5 EFBERN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000056459227 472323714 /nfs/dbraw/zinc/32/37/14/472323714.db2.gz SASPROXZMZGVMZ-NSHDSACASA-N 0 0 343.339 2.884 10 5 EFBERN CCc1nn2c(nc(CNc3cc([N+](=O)[O-])ccc3C)cc2=O)s1 ZINC000030285151 472324990 /nfs/dbraw/zinc/32/49/90/472324990.db2.gz ZCNLGKVUFIAKEG-UHFFFAOYSA-N 0 0 345.384 2.542 10 5 EFBERN Cc1ccc(NC(=O)C(=O)NC2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000076372978 472333097 /nfs/dbraw/zinc/33/30/97/472333097.db2.gz NKRXPICCAXGALR-UHFFFAOYSA-N 0 0 333.388 2.927 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000030493453 472334443 /nfs/dbraw/zinc/33/44/43/472334443.db2.gz BRBAZDWFZWDAFL-LLVKDONJSA-N 0 0 336.369 2.643 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087456978 472337147 /nfs/dbraw/zinc/33/71/47/472337147.db2.gz MCWPGGHJDIJGRA-CQSZACIVSA-N 0 0 348.399 2.718 10 5 EFBERN CN(C[C@@H](O)c1ccc(F)cc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000069432586 472342182 /nfs/dbraw/zinc/34/21/82/472342182.db2.gz JDCYZEOTMAPCDI-LLVKDONJSA-N 0 0 336.348 2.613 10 5 EFBERN COC(=O)c1c(C)nc(=O)[nH]c1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069450659 472346003 /nfs/dbraw/zinc/34/60/03/472346003.db2.gz CBKCTQINEFQLFK-SECBINFHSA-N 0 0 349.368 2.626 10 5 EFBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccnc1-n1ccnc1 ZINC000044895316 472349760 /nfs/dbraw/zinc/34/97/60/472349760.db2.gz SOVPSCSNTSFQMF-VOTSOKGWSA-N 0 0 349.350 2.505 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2ccc(N3CCCC3)nc2)c1[N+](=O)[O-] ZINC000069467348 472350759 /nfs/dbraw/zinc/35/07/59/472350759.db2.gz FNNSINGTEBATQK-UHFFFAOYSA-N 0 0 344.375 2.518 10 5 EFBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000088269714 472354203 /nfs/dbraw/zinc/35/42/03/472354203.db2.gz HLRIPUPGKOTCDL-CVEARBPZSA-N 0 0 348.399 2.766 10 5 EFBERN COc1ccc(F)c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000088407666 472362534 /nfs/dbraw/zinc/36/25/34/472362534.db2.gz NLBFRSKVOLHABM-UHFFFAOYSA-N 0 0 349.318 2.943 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000057011531 472373861 /nfs/dbraw/zinc/37/38/61/472373861.db2.gz QEYJFWGUGNTIME-RYUDHWBXSA-N 0 0 342.417 2.708 10 5 EFBERN COc1cc2c(cc1OC)CCN(c1ncccc1[N+](=O)[O-])CC2 ZINC000057150221 472386407 /nfs/dbraw/zinc/38/64/07/472386407.db2.gz JSPMKXHFKWOCPK-UHFFFAOYSA-N 0 0 329.356 2.612 10 5 EFBERN COc1cc2c(cc1OC)CCN(c1ccc([N+](=O)[O-])cn1)CC2 ZINC000057150210 472386813 /nfs/dbraw/zinc/38/68/13/472386813.db2.gz MXQRGFIVLMMKFW-UHFFFAOYSA-N 0 0 329.356 2.612 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000031673995 472388275 /nfs/dbraw/zinc/38/82/75/472388275.db2.gz MPPPKGYKGVQJHZ-UHFFFAOYSA-N 0 0 349.343 2.906 10 5 EFBERN COc1ccc(CN(C)Cc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000069652890 472389591 /nfs/dbraw/zinc/38/95/91/472389591.db2.gz WYQYDQIJUIFNEF-UHFFFAOYSA-N 0 0 326.356 2.883 10 5 EFBERN O=C(NCc1nc(-c2cccs2)n[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000069657159 472391324 /nfs/dbraw/zinc/39/13/24/472391324.db2.gz CAYLARJQNRSFSR-UHFFFAOYSA-N 0 0 344.356 2.763 10 5 EFBERN COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000089226986 472395528 /nfs/dbraw/zinc/39/55/28/472395528.db2.gz PLXKNYXSNODJEJ-HNNXBMFYSA-N 0 0 340.335 2.902 10 5 EFBERN Cc1nc(N2CCC(CO)(Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000097014922 472408463 /nfs/dbraw/zinc/40/84/63/472408463.db2.gz XCDPKORQYCTVPU-UHFFFAOYSA-N 0 0 342.399 2.742 10 5 EFBERN CCOc1ccc([C@H](C)N[C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000097032493 472415402 /nfs/dbraw/zinc/41/54/02/472415402.db2.gz KSHXQMHAOXFCEO-WCQYABFASA-N 0 0 331.376 2.771 10 5 EFBERN CCOc1ccc([C@@H](C)N[C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000097032492 472415443 /nfs/dbraw/zinc/41/54/43/472415443.db2.gz KSHXQMHAOXFCEO-DGCLKSJQSA-N 0 0 331.376 2.771 10 5 EFBERN C[C@@H](Nc1cc(-c2nccn2C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000097045777 472421410 /nfs/dbraw/zinc/42/14/10/472421410.db2.gz GHQLNFKEPLORIO-LLVKDONJSA-N 0 0 326.360 2.902 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1cccs1 ZINC000032405668 472430275 /nfs/dbraw/zinc/43/02/75/472430275.db2.gz UFDDVCSHCWXNOT-SECBINFHSA-N 0 0 342.398 2.704 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCO1 ZINC000045625522 472436631 /nfs/dbraw/zinc/43/66/31/472436631.db2.gz JACZELIGKPTISY-PRHODGIISA-N 0 0 343.177 2.655 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])c(OCc2nnc(C3CCC3)n2C)c1 ZINC000097083552 472437863 /nfs/dbraw/zinc/43/78/63/472437863.db2.gz MUJRFCXUOGJDBP-UHFFFAOYSA-N 0 0 331.376 2.636 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 ZINC000089467356 472445117 /nfs/dbraw/zinc/44/51/17/472445117.db2.gz KBUZIKXWUHMEOX-CYBMUJFWSA-N 0 0 339.351 2.523 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1 ZINC000089467355 472445363 /nfs/dbraw/zinc/44/53/63/472445363.db2.gz KBUZIKXWUHMEOX-ZDUSSCGKSA-N 0 0 339.351 2.523 10 5 EFBERN COc1cccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000128436442 472450123 /nfs/dbraw/zinc/45/01/23/472450123.db2.gz GZVXETNBSDMVOQ-NSHDSACASA-N 0 0 347.396 2.795 10 5 EFBERN CC(=O)c1c(C)[nH]c(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000089502450 472451387 /nfs/dbraw/zinc/45/13/87/472451387.db2.gz ATZIMMSQKNLTBD-UHFFFAOYSA-N 0 0 341.367 2.941 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000117163795 472457408 /nfs/dbraw/zinc/45/74/08/472457408.db2.gz COPYCIBYXDROMC-ZDUSSCGKSA-N 0 0 325.368 2.833 10 5 EFBERN CCCc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n[nH]1 ZINC000154680925 472459945 /nfs/dbraw/zinc/45/99/45/472459945.db2.gz JZGWMTZURAUKFB-UHFFFAOYSA-N 0 0 340.343 2.708 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000089601959 472467114 /nfs/dbraw/zinc/46/71/14/472467114.db2.gz YIURAIAOHGTEAX-AWEZNQCLSA-N 0 0 335.747 2.927 10 5 EFBERN Cc1nnc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000097162549 472469344 /nfs/dbraw/zinc/46/93/44/472469344.db2.gz ANGFGLFMOHCVRK-GFCCVEGCSA-N 0 0 336.735 2.917 10 5 EFBERN Cc1nnc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)C)[nH]1 ZINC000097162510 472469698 /nfs/dbraw/zinc/46/96/98/472469698.db2.gz FVMCKUBHKNWIPB-GFCCVEGCSA-N 0 0 337.767 2.802 10 5 EFBERN CNS(=O)(=O)c1ccc(N[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000032853530 472473956 /nfs/dbraw/zinc/47/39/56/472473956.db2.gz UVMVKCWWBWWOPK-AWEZNQCLSA-N 0 0 347.396 2.602 10 5 EFBERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000154820496 472476972 /nfs/dbraw/zinc/47/69/72/472476972.db2.gz IUHGDXUDCIMNCS-HOTGVXAUSA-N 0 0 347.415 2.656 10 5 EFBERN Cc1ccc([C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000089652659 472479529 /nfs/dbraw/zinc/47/95/29/472479529.db2.gz KAOHHWXMKSDIKK-MRXNPFEDSA-N 0 0 345.355 2.779 10 5 EFBERN Cc1c(C(=O)OCc2cnn(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000032928644 472480573 /nfs/dbraw/zinc/48/05/73/472480573.db2.gz CWOSKNOLSSVSDR-UHFFFAOYSA-N 0 0 338.323 2.841 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2ccncn2)C1 ZINC000070039540 472489966 /nfs/dbraw/zinc/48/99/66/472489966.db2.gz FVAHACFNSJPJKK-LBPRGKRZSA-N 0 0 342.355 2.555 10 5 EFBERN Cc1cccc2[nH]c(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])nc21 ZINC000154995669 472493803 /nfs/dbraw/zinc/49/38/03/472493803.db2.gz DKDBGGHAJWHCGH-UHFFFAOYSA-N 0 0 328.303 2.849 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000128780770 472495658 /nfs/dbraw/zinc/49/56/58/472495658.db2.gz BUQLDSLNOWDOJK-AWEZNQCLSA-N 0 0 344.415 2.888 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ccccc2C1 ZINC000070753702 472509154 /nfs/dbraw/zinc/50/91/54/472509154.db2.gz VMLXKEFMZJBIDG-OAHLLOKOSA-N 0 0 326.352 2.647 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CCc1ccc2c(c1)CCO2 ZINC000089806954 472510902 /nfs/dbraw/zinc/51/09/02/472510902.db2.gz NSRPSKCLOQQGMB-UHFFFAOYSA-N 0 0 326.308 2.680 10 5 EFBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC(c2ccccc2)C1 ZINC000077357748 472511124 /nfs/dbraw/zinc/51/11/24/472511124.db2.gz HRIRRURPCPUPME-UHFFFAOYSA-N 0 0 347.396 2.600 10 5 EFBERN COc1cc(C(=O)NCc2nc3c(cccc3C)[nH]2)ccc1[N+](=O)[O-] ZINC000155160622 472515452 /nfs/dbraw/zinc/51/54/52/472515452.db2.gz DVCHKMXZIJSRFY-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN COc1ccc(C(=O)NCc2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000155202752 472519949 /nfs/dbraw/zinc/51/99/49/472519949.db2.gz PVPDTPDSYZPATJ-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000129071494 472520234 /nfs/dbraw/zinc/52/02/34/472520234.db2.gz JJIOTRBCCBVBGV-XHDPSFHLSA-N 0 0 342.351 2.898 10 5 EFBERN Cc1ccccc1[C@@H]1C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000077400861 472520490 /nfs/dbraw/zinc/52/04/90/472520490.db2.gz GIJKQOAEDCZERJ-NWDGAFQWSA-N 0 0 338.410 2.799 10 5 EFBERN O=C(NC[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070957542 472529438 /nfs/dbraw/zinc/52/94/38/472529438.db2.gz CILQHXSUTSNDMA-ZDUSSCGKSA-N 0 0 334.759 2.582 10 5 EFBERN COC(=O)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089892686 472536798 /nfs/dbraw/zinc/53/67/98/472536798.db2.gz JLNNBSCXJRWXTB-ZDUSSCGKSA-N 0 0 345.355 2.635 10 5 EFBERN COc1c(C)cc(CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1C ZINC000101680746 472548072 /nfs/dbraw/zinc/54/80/72/472548072.db2.gz FEFQOMKCHNEMCW-UHFFFAOYSA-N 0 0 345.355 2.593 10 5 EFBERN C[C@@H]1CC[C@H](CO)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000119375385 472550298 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O=C(Nc1ccccc1)NC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066810356 473156856 /nfs/dbraw/zinc/15/68/56/473156856.db2.gz DPMATKVZHOZXMC-UHFFFAOYSA-N 0 0 341.371 2.780 10 5 EFBERN CC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000081260948 473169802 /nfs/dbraw/zinc/16/98/02/473169802.db2.gz KLWXTQCQOYLGOT-ZDUSSCGKSA-N 0 0 345.403 2.625 10 5 EFBERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000110752114 473175061 /nfs/dbraw/zinc/17/50/61/473175061.db2.gz DRAJRDVAYWGRDH-ZDUSSCGKSA-N 0 0 343.387 2.534 10 5 EFBERN COc1ccc(N(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000136767346 473175898 /nfs/dbraw/zinc/17/58/98/473175898.db2.gz IZIDDNICHFKLQM-SNVBAGLBSA-N 0 0 330.344 2.772 10 5 EFBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(F)cc1Cl ZINC000123713338 473176114 /nfs/dbraw/zinc/17/61/14/473176114.db2.gz JJDJAGQCGRDACS-SSDOTTSWSA-N 0 0 326.715 2.612 10 5 EFBERN COC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000075367260 473177125 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CO[C@@H](C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190805928 473399553 /nfs/dbraw/zinc/39/95/53/473399553.db2.gz NYLQZYLHQBUZCJ-YUMQZZPRSA-N 0 0 331.166 2.511 10 5 EFBERN CC(C)C[C@@H](CO)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185364212 473407314 /nfs/dbraw/zinc/40/73/14/473407314.db2.gz SODKQXFNTAWNNZ-LBPRGKRZSA-N 0 0 343.811 2.526 10 5 EFBERN COc1cccc(N[C@H]2CCc3nc(C(C)C)nn3C2)c1[N+](=O)[O-] ZINC000185374661 473407988 /nfs/dbraw/zinc/40/79/88/473407988.db2.gz RKNOBFAWNDSNHH-NSHDSACASA-N 0 0 331.376 2.745 10 5 EFBERN COC(=O)[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000125472118 473414379 /nfs/dbraw/zinc/41/43/79/473414379.db2.gz ZQWFJKSBNPVWKB-HNNXBMFYSA-N 0 0 328.324 2.547 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113896341 473421706 /nfs/dbraw/zinc/42/17/06/473421706.db2.gz PZHMDJNDRBFQRL-CQSZACIVSA-N 0 0 344.371 2.841 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171648136 473429484 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0 0 325.368 2.928 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000171798842 473460448 /nfs/dbraw/zinc/46/04/48/473460448.db2.gz OZSDHFFMPDNTAW-AWEZNQCLSA-N 0 0 331.303 2.691 10 5 EFBERN COc1cccc(N2CCO[C@H](c3cccc(O)c3)C2)c1[N+](=O)[O-] ZINC000185589942 473462719 /nfs/dbraw/zinc/46/27/19/473462719.db2.gz XCHVVAJRLMEOQC-INIZCTEOSA-N 0 0 330.340 2.887 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCC(c3nc(C)cs3)CC2)c1[N+](=O)[O-] ZINC000171807493 473463010 /nfs/dbraw/zinc/46/30/10/473463010.db2.gz MXTRTNIHVKRPDR-UHFFFAOYSA-N 0 0 349.416 2.665 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(Cn2cccn2)CC1 ZINC000125861398 473464960 /nfs/dbraw/zinc/46/49/60/473464960.db2.gz NVRVXMCHQQNZQS-UHFFFAOYSA-N 0 0 348.790 2.997 10 5 EFBERN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CCN1CC(F)F ZINC000125862058 473465738 /nfs/dbraw/zinc/46/57/38/473465738.db2.gz IOUSEESELQIPDL-ZDUSSCGKSA-N 0 0 341.358 2.705 10 5 EFBERN CSCCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000126036495 473480677 /nfs/dbraw/zinc/48/06/77/473480677.db2.gz BURJCQZPFKHMHG-UHFFFAOYSA-N 0 0 334.401 2.654 10 5 EFBERN CCn1cnnc1[C@@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185655202 473480756 /nfs/dbraw/zinc/48/07/56/473480756.db2.gz AXTREZGPDFNLJD-GFCCVEGCSA-N 0 0 331.376 2.599 10 5 EFBERN Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000126059098 473482615 /nfs/dbraw/zinc/48/26/15/473482615.db2.gz BVHRCMIBPLKOSS-CJNGLKHVSA-N 0 0 328.372 2.823 10 5 EFBERN Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000126058463 473483535 /nfs/dbraw/zinc/48/35/35/473483535.db2.gz BVHRCMIBPLKOSS-XJKSGUPXSA-N 0 0 328.372 2.823 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178300420 473486659 /nfs/dbraw/zinc/48/66/59/473486659.db2.gz LZVAVRYUGRGCTM-GJZGRUSLSA-N 0 0 332.743 2.636 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178300404 473486999 /nfs/dbraw/zinc/48/69/99/473486999.db2.gz LZVAVRYUGRGCTM-HUUCEWRRSA-N 0 0 332.743 2.636 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)c(N)c([N+](=O)[O-])c1 ZINC000114630565 473487000 /nfs/dbraw/zinc/48/70/00/473487000.db2.gz HRBSTTHIKBUWTF-LLVKDONJSA-N 0 0 346.412 2.962 10 5 EFBERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccccc1[N+](=O)[O-] ZINC000126112532 473489487 /nfs/dbraw/zinc/48/94/87/473489487.db2.gz GDXZGONWPLAHGP-UHFFFAOYSA-N 0 0 342.277 2.619 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000171972918 473492993 /nfs/dbraw/zinc/49/29/93/473492993.db2.gz RAZBAQRUJFBCHO-BPOWMSRESA-N 0 0 344.371 2.996 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000178333225 473493423 /nfs/dbraw/zinc/49/34/23/473493423.db2.gz FXXLFDQNOVUDGZ-GDBMZVCRSA-N 0 0 344.392 2.705 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2nccs2)c1[N+](=O)[O-] ZINC000185755792 473506092 /nfs/dbraw/zinc/50/60/92/473506092.db2.gz SMPXYVNGQYQVIC-JTQLQIEISA-N 0 0 335.389 2.704 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2ccccc2-n2ccc(C)n2)c1[N+](=O)[O-] ZINC000185841342 473527694 /nfs/dbraw/zinc/52/76/94/473527694.db2.gz ZVNONFYKXPSGLN-UHFFFAOYSA-N 0 0 340.343 2.627 10 5 EFBERN COC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000172123448 473528801 /nfs/dbraw/zinc/52/88/01/473528801.db2.gz SHGKUQYAEIJPMD-KRWDZBQOSA-N 0 0 344.367 2.939 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191382014 473533292 /nfs/dbraw/zinc/53/32/92/473533292.db2.gz VXBUTWUEULSIRI-UHFFFAOYSA-N 0 0 345.403 2.926 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1oc2ccccc2c1C ZINC000115101501 473535994 /nfs/dbraw/zinc/53/59/94/473535994.db2.gz ZWKBTGDCVSISPR-UHFFFAOYSA-N 0 0 342.355 2.861 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Br)n1 ZINC000191447187 473540133 /nfs/dbraw/zinc/54/01/33/473540133.db2.gz IZNQJUFNIQATKX-UHFFFAOYSA-N 0 0 339.149 2.826 10 5 EFBERN CCc1nc(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cs1 ZINC000191461457 473542376 /nfs/dbraw/zinc/54/23/76/473542376.db2.gz ZXBCKJUAUWBYBS-UHFFFAOYSA-N 0 0 335.385 2.861 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)CC(F)(F)F)n1 ZINC000191471245 473542774 /nfs/dbraw/zinc/54/27/74/473542774.db2.gz SPAYFDIKUVWVQD-UHFFFAOYSA-N 0 0 346.265 2.609 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCSc3ccccc32)n1 ZINC000191471750 473543606 /nfs/dbraw/zinc/54/36/06/473543606.db2.gz JNIBNUJKJPQCSD-LLVKDONJSA-N 0 0 332.385 2.778 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2F)C2CC2)n1 ZINC000191474302 473544106 /nfs/dbraw/zinc/54/41/06/473544106.db2.gz IIEMXYPLSGQOEB-UHFFFAOYSA-N 0 0 332.335 2.755 10 5 EFBERN Cc1noc(C)c1CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000170088108 473553260 /nfs/dbraw/zinc/55/32/60/473553260.db2.gz CETRAZVGMTYAOA-UHFFFAOYSA-N 0 0 330.344 2.587 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2OC)C2CC2)n1 ZINC000191555166 473554330 /nfs/dbraw/zinc/55/43/30/473554330.db2.gz MNGNXLKJQSXCHM-UHFFFAOYSA-N 0 0 344.371 2.625 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c2cccc3Cl)n1 ZINC000191572631 473556390 /nfs/dbraw/zinc/55/63/90/473556390.db2.gz OCMIGVBOPWBJIK-GFCCVEGCSA-N 0 0 334.763 2.882 10 5 EFBERN CCOc1cccc([C@H](C)NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191579884 473556577 /nfs/dbraw/zinc/55/65/77/473556577.db2.gz GLOWCPMSSYLVPH-NSHDSACASA-N 0 0 332.360 2.701 10 5 EFBERN CCc1nnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)[nH]1 ZINC000191589494 473557241 /nfs/dbraw/zinc/55/72/41/473557241.db2.gz UZQHUYHABXISAM-UHFFFAOYSA-N 0 0 343.387 2.604 10 5 EFBERN CCc1nnc(C2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)[nH]1 ZINC000191585886 473557355 /nfs/dbraw/zinc/55/73/55/473557355.db2.gz OGROGKRQBRLZRH-UHFFFAOYSA-N 0 0 343.387 2.604 10 5 EFBERN CCCN1Cc2cccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])c2C1 ZINC000191594428 473558698 /nfs/dbraw/zinc/55/86/98/473558698.db2.gz PSIDYLRKJXLGDZ-UHFFFAOYSA-N 0 0 343.387 2.789 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CCc2ccccc2)n1 ZINC000191594595 473558933 /nfs/dbraw/zinc/55/89/33/473558933.db2.gz ODCNBIOQQBSSQJ-UHFFFAOYSA-N 0 0 330.388 2.952 10 5 EFBERN CCS[C@@H]1CCCCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191612863 473560225 /nfs/dbraw/zinc/56/02/25/473560225.db2.gz LWMQJXIRUDWKAZ-LLVKDONJSA-N 0 0 326.422 2.559 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCC2CC2)n1 ZINC000191629013 473561376 /nfs/dbraw/zinc/56/13/76/473561376.db2.gz VQDSMUJYIFLZMH-UHFFFAOYSA-N 0 0 344.371 2.530 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(Cl)c3)CC2)n1 ZINC000191628863 473561422 /nfs/dbraw/zinc/56/14/22/473561422.db2.gz NYUJGOSSMPBGMX-UHFFFAOYSA-N 0 0 348.790 2.926 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(c3ccccn3)CC2)c1 ZINC000170603321 473562755 /nfs/dbraw/zinc/56/27/55/473562755.db2.gz CFBTXXJLKKCRMV-UHFFFAOYSA-N 0 0 327.340 2.920 10 5 EFBERN CCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c(C)c1 ZINC000191632197 473562922 /nfs/dbraw/zinc/56/29/22/473562922.db2.gz PPGCYZXSFSLEIZ-UHFFFAOYSA-N 0 0 344.371 2.798 10 5 EFBERN Cc1c(Br)cc(C(=O)N[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000178791878 473563643 /nfs/dbraw/zinc/56/36/43/473563643.db2.gz WXMUNHHNJHTONY-JTQLQIEISA-N 0 0 343.177 2.575 10 5 EFBERN Cc1nc2c(s1)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)CCC2 ZINC000170605205 473563740 /nfs/dbraw/zinc/56/37/40/473563740.db2.gz SADKMBSTHCLMBN-CYBMUJFWSA-N 0 0 332.385 2.749 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2cccn2C)n1 ZINC000191650206 473565552 /nfs/dbraw/zinc/56/55/52/473565552.db2.gz DUCQPJOJUGMQIM-ZDUSSCGKSA-N 0 0 331.376 2.517 10 5 EFBERN Cn1c2ccccc2nc1Cn1cc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000170612974 473565956 /nfs/dbraw/zinc/56/59/56/473565956.db2.gz DHPJPLPLYADNID-UHFFFAOYSA-N 0 0 325.250 2.745 10 5 EFBERN Cc1cnc(CCN(C)C(=O)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000152471479 473566056 /nfs/dbraw/zinc/56/60/56/473566056.db2.gz AIHQSPMIWXDUNG-UHFFFAOYSA-N 0 0 349.412 2.830 10 5 EFBERN Cn1cccc1[C@H]1COCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170613492 473566040 /nfs/dbraw/zinc/56/60/40/473566040.db2.gz MUWHJRPLAPZZCT-OAHLLOKOSA-N 0 0 330.344 2.539 10 5 EFBERN CC(C)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000170618725 473567017 /nfs/dbraw/zinc/56/70/17/473567017.db2.gz CMZJANBSGSNFJD-NSHDSACASA-N 0 0 339.367 2.593 10 5 EFBERN COc1ccnc(NC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000191693354 473569499 /nfs/dbraw/zinc/56/94/99/473569499.db2.gz TVQPYUXEKKXHDN-UHFFFAOYSA-N 0 0 349.416 2.531 10 5 EFBERN Cc1sc(C(=O)NCCCNc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000172364238 473591859 /nfs/dbraw/zinc/59/18/59/473591859.db2.gz RMYFIMWDLISULB-UHFFFAOYSA-N 0 0 334.401 2.900 10 5 EFBERN Cc1cccc2c1CCN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152736429 473591862 /nfs/dbraw/zinc/59/18/62/473591862.db2.gz KQKPRERUEKAQJD-UHFFFAOYSA-N 0 0 332.381 2.796 10 5 EFBERN Cc1ccc([C@@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CCO2)o1 ZINC000127373686 473605252 /nfs/dbraw/zinc/60/52/52/473605252.db2.gz KXSKZJUPEOCBLN-HNNXBMFYSA-N 0 0 345.355 2.601 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000192011464 473605615 /nfs/dbraw/zinc/60/56/15/473605615.db2.gz FWSSLRCUTOVOOH-HNNXBMFYSA-N 0 0 346.412 2.567 10 5 EFBERN NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000172439966 473611124 /nfs/dbraw/zinc/61/11/24/473611124.db2.gz OZDVRKIFOCCICW-ONGXEEELSA-N 0 0 347.396 2.583 10 5 EFBERN Cc1ccn2ncc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)c2n1 ZINC000170808611 473618770 /nfs/dbraw/zinc/61/87/70/473618770.db2.gz MWNQEFSZCPYUKF-UHFFFAOYSA-N 0 0 325.328 2.815 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000170807255 473618996 /nfs/dbraw/zinc/61/89/96/473618996.db2.gz SXRVCYDVXKURJK-ZDUSSCGKSA-N 0 0 345.359 2.686 10 5 EFBERN COC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccco2)cc([N+](=O)[O-])c1 ZINC000116039969 473620916 /nfs/dbraw/zinc/62/09/16/473620916.db2.gz ROKHVVIHKZHFPK-AWEZNQCLSA-N 0 0 344.323 2.952 10 5 EFBERN Cn1cc([C@@H]2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000116123666 473628084 /nfs/dbraw/zinc/62/80/84/473628084.db2.gz PJMAJMDNMDUUBR-SNVBAGLBSA-N 0 0 334.763 2.611 10 5 EFBERN Cc1ccnc(N(C)Cc2cn(C)nc2C(F)(F)F)c1[N+](=O)[O-] ZINC000127577373 473628677 /nfs/dbraw/zinc/62/86/77/473628677.db2.gz GJMUNKHMPUBQEB-UHFFFAOYSA-N 0 0 329.282 2.687 10 5 EFBERN Cn1cc([C@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC000116124878 473629078 /nfs/dbraw/zinc/62/90/78/473629078.db2.gz AELKWFVLBFPSJU-NSHDSACASA-N 0 0 334.763 2.611 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(OC)c1F ZINC000179103902 473629476 /nfs/dbraw/zinc/62/94/76/473629476.db2.gz UBYGGQWOCALFCW-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN Cc1cc(C)n2nc(Sc3ncc(Cl)cc3[N+](=O)[O-])nc2n1 ZINC000153559605 473629548 /nfs/dbraw/zinc/62/95/48/473629548.db2.gz PAOSWCKOTHSQFE-UHFFFAOYSA-N 0 0 336.764 2.849 10 5 EFBERN Cn1cc([C@H]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000116230424 473640673 /nfs/dbraw/zinc/64/06/73/473640673.db2.gz NSNALEWWHYIPPI-JTQLQIEISA-N 0 0 334.763 2.611 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000116279581 473645911 /nfs/dbraw/zinc/64/59/11/473645911.db2.gz DRVRLHNHWIYEKX-LBPRGKRZSA-N 0 0 335.795 2.752 10 5 EFBERN O=C(CN1CCC[C@@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000116290957 473646824 /nfs/dbraw/zinc/64/68/24/473646824.db2.gz DJTBWYRILUPPHD-MRXNPFEDSA-N 0 0 341.367 2.914 10 5 EFBERN CN(C(=O)CN1CCC[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000116296597 473647127 /nfs/dbraw/zinc/64/71/27/473647127.db2.gz DLFSYLSLTZOAFO-OAHLLOKOSA-N 0 0 329.356 2.988 10 5 EFBERN CC(C)[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154009935 473659993 /nfs/dbraw/zinc/65/99/93/473659993.db2.gz ADSZTZFHDUEXLY-OAHLLOKOSA-N 0 0 326.418 2.935 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(C2CC2)CC1 ZINC000127927982 473664371 /nfs/dbraw/zinc/66/43/71/473664371.db2.gz JUKMHUYPNVRKSY-UHFFFAOYSA-N 0 0 343.305 2.534 10 5 EFBERN Cc1ccc([C@H]2CCCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000127931575 473665275 /nfs/dbraw/zinc/66/52/75/473665275.db2.gz QBMQNGRUQNPRNP-CQSZACIVSA-N 0 0 332.360 2.837 10 5 EFBERN COC(=O)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)CC(C)C ZINC000172652809 473667250 /nfs/dbraw/zinc/66/72/50/473667250.db2.gz MZUNMMOAANXBEE-LLVKDONJSA-N 0 0 347.371 2.641 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186406999 473669589 /nfs/dbraw/zinc/66/95/89/473669589.db2.gz DKTZRSHLPMBGAG-UHFFFAOYSA-N 0 0 340.383 2.651 10 5 EFBERN CCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000186456256 473676392 /nfs/dbraw/zinc/67/63/92/473676392.db2.gz NCXOKECUNMFXOI-UHFFFAOYSA-N 0 0 342.751 2.832 10 5 EFBERN Cc1ccc2oc(N3CCN(c4ncc([N+](=O)[O-])s4)CC3)nc2c1 ZINC000192451288 473681947 /nfs/dbraw/zinc/68/19/47/473681947.db2.gz VOHQROZZRVKABC-UHFFFAOYSA-N 0 0 345.384 2.828 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000192486367 473684803 /nfs/dbraw/zinc/68/48/03/473684803.db2.gz KBKGXDYUWRBVGX-QMMMGPOBSA-N 0 0 325.781 2.791 10 5 EFBERN CCO[C@@H]1C[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C12CCOCC2 ZINC000192503840 473686243 /nfs/dbraw/zinc/68/62/43/473686243.db2.gz ILQAVPMIEPQTGK-LSDHHAIUSA-N 0 0 348.399 2.607 10 5 EFBERN Cc1ccc2c(CCNC(=O)c3ccc([N+](=O)[O-])o3)cn(C)c2c1 ZINC000186557419 473689730 /nfs/dbraw/zinc/68/97/30/473689730.db2.gz AKDFFTRHGLKJTA-UHFFFAOYSA-N 0 0 327.340 2.960 10 5 EFBERN CC(C)(C)OC(=O)CCCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186583935 473693966 /nfs/dbraw/zinc/69/39/66/473693966.db2.gz QTKUMXYEEQBQQU-UHFFFAOYSA-N 0 0 332.360 2.975 10 5 EFBERN C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1=O ZINC000186587471 473694470 /nfs/dbraw/zinc/69/44/70/473694470.db2.gz RAZWZXXJKZUJKM-CQSZACIVSA-N 0 0 348.402 2.592 10 5 EFBERN Cc1cc(CN(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])no1 ZINC000281386593 473701030 /nfs/dbraw/zinc/70/10/30/473701030.db2.gz XPJGLGYCKOZMNY-UHFFFAOYSA-N 0 0 333.344 2.627 10 5 EFBERN CC[C@H](NC(=O)c1cnc(C2CC2)nc1N)c1cccc([N+](=O)[O-])c1 ZINC000287602566 473709231 /nfs/dbraw/zinc/70/92/31/473709231.db2.gz DJQYHQFXMKQXMW-AWEZNQCLSA-N 0 0 341.371 2.726 10 5 EFBERN CC(=O)N1CCC[C@@H](c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)C1 ZINC000274028575 473709954 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CCc1n[nH]c(C(=O)N2CCC[C@@H]2c2csc(C)n2)c1[N+](=O)[O-] ZINC000192909188 473745976 /nfs/dbraw/zinc/74/59/76/473745976.db2.gz PBZZYBROVXRABT-LLVKDONJSA-N 0 0 335.389 2.623 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000287749096 473749890 /nfs/dbraw/zinc/74/98/90/473749890.db2.gz WVOUYJMRSQZRBO-QGZVFWFLSA-N 0 0 349.387 2.625 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[S@@](C)=O)c1ccccc1 ZINC000173151454 473755635 /nfs/dbraw/zinc/75/56/35/473755635.db2.gz ANNQQHSLLPCVIN-VOIUYBSRSA-N 0 0 346.408 2.753 10 5 EFBERN Cc1ccc(NCc2cnc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000274200819 473759817 /nfs/dbraw/zinc/75/98/17/473759817.db2.gz UDDIOPLNLYCUEX-UHFFFAOYSA-N 0 0 346.362 2.886 10 5 EFBERN CCCNC(=O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180003243 473773301 /nfs/dbraw/zinc/77/33/01/473773301.db2.gz PTDQFDWQLMRWED-SFHVURJKSA-N 0 0 327.384 2.800 10 5 EFBERN COc1ccccc1[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269346534 473781637 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CC(C)(C)[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000274378380 473799122 /nfs/dbraw/zinc/79/91/22/473799122.db2.gz FYBHHZWHKAJFNZ-JKSUJKDBSA-N 0 0 349.431 2.576 10 5 EFBERN C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000187013676 473802057 /nfs/dbraw/zinc/80/20/57/473802057.db2.gz VWPALXFRLSNGME-ZETCQYMHSA-N 0 0 339.710 2.979 10 5 EFBERN CC(C)C(=O)NC[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000263684045 473806252 /nfs/dbraw/zinc/80/62/52/473806252.db2.gz FYFZPNGUJPLLFT-LBPRGKRZSA-N 0 0 325.434 2.641 10 5 EFBERN COC(=O)C1CCC(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000180151227 473812384 /nfs/dbraw/zinc/81/23/84/473812384.db2.gz JLPBURLZMYALKY-UHFFFAOYSA-N 0 0 334.372 2.533 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000180167625 473817346 /nfs/dbraw/zinc/81/73/46/473817346.db2.gz SHZUALMNFNSORE-SECBINFHSA-N 0 0 346.261 2.738 10 5 EFBERN Cc1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173422718 473833497 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CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173618714 473893257 /nfs/dbraw/zinc/89/32/57/473893257.db2.gz SYHLVWZFZMKELP-CQSZACIVSA-N 0 0 349.387 2.724 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccn(Cc2ccccc2)n1 ZINC000288294925 473901719 /nfs/dbraw/zinc/90/17/19/473901719.db2.gz BKDYNAOJZLGQHN-UHFFFAOYSA-N 0 0 340.387 2.977 10 5 EFBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000281997461 473912056 /nfs/dbraw/zinc/91/20/56/473912056.db2.gz AVLQOXFTKNHROJ-UWVGGRQHSA-N 0 0 337.351 2.628 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cn1 ZINC000180582283 473912372 /nfs/dbraw/zinc/91/23/72/473912372.db2.gz MYKKCPIZRDYURI-UHFFFAOYSA-N 0 0 334.763 2.685 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CCO)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000274695343 473923804 /nfs/dbraw/zinc/92/38/04/473923804.db2.gz WIPISNPGIGKELE-YPMHNXCESA-N 0 0 333.344 2.672 10 5 EFBERN C[C@H](NC(=O)N[C@H](CCO)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000274695342 473924060 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C[C@H](NCc1cccc(N2CCOCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000274788017 473959591 /nfs/dbraw/zinc/95/95/91/473959591.db2.gz MTHIINOFYXHKSD-AWEZNQCLSA-N 0 0 342.399 2.677 10 5 EFBERN COc1ccccc1CN(CCO)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194919048 473976057 /nfs/dbraw/zinc/97/60/57/473976057.db2.gz BAAMCVJTFAEVMU-UHFFFAOYSA-N 0 0 344.367 2.547 10 5 EFBERN C[C@H](C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000174038320 473978324 /nfs/dbraw/zinc/97/83/24/473978324.db2.gz VTURQYFDHQNFBM-LBPRGKRZSA-N 0 0 337.339 2.918 10 5 EFBERN O=C(CCc1ccc2c(c1)OCCO2)NCc1cccc([N+](=O)[O-])c1 ZINC000194951411 473982273 /nfs/dbraw/zinc/98/22/73/473982273.db2.gz WRIWISZSPZCXFS-UHFFFAOYSA-N 0 0 342.351 2.615 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000194953128 473982494 /nfs/dbraw/zinc/98/24/94/473982494.db2.gz OJKPDYXYRHIJBO-GFCCVEGCSA-N 0 0 326.418 2.555 10 5 EFBERN Cc1noc(C(C)(C)NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000288586508 473990460 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COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000282393916 474048831 /nfs/dbraw/zinc/04/88/31/474048831.db2.gz DSWMZWURAQQZAQ-LBPRGKRZSA-N 0 0 345.359 2.536 10 5 EFBERN O=[N+]([O-])c1cc(-c2nc(C[C@@H]3CCCO3)no2)ccc1-n1ccnc1 ZINC000264607872 474057674 /nfs/dbraw/zinc/05/76/74/474057674.db2.gz NEQLLRHLCDVQQV-LBPRGKRZSA-N 0 0 341.327 2.552 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174534334 474057882 /nfs/dbraw/zinc/05/78/82/474057882.db2.gz FTONYURXTYFTQX-QGZVFWFLSA-N 0 0 348.399 2.924 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174539940 474059392 /nfs/dbraw/zinc/05/93/92/474059392.db2.gz OURXRMUGWWMMNZ-QGZVFWFLSA-N 0 0 348.399 2.924 10 5 EFBERN Cc1cccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000174681906 474078628 /nfs/dbraw/zinc/07/86/28/474078628.db2.gz QFAHOWZCVFBRMI-LBPRGKRZSA-N 0 0 329.356 2.804 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1 ZINC000264678881 474086014 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474141352 /nfs/dbraw/zinc/14/13/52/474141352.db2.gz CEXXYVSABMONMF-NSHDSACASA-N 0 0 326.356 2.776 10 5 EFBERN CCCCN(C)S(=O)(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000175111423 474144667 /nfs/dbraw/zinc/14/46/67/474144667.db2.gz QDHMKQGQWOMRCP-CQSZACIVSA-N 0 0 329.422 2.612 10 5 EFBERN CCC[C@]1(CO)CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000289091292 474146064 /nfs/dbraw/zinc/14/60/64/474146064.db2.gz OTUCHRRNUQKRIN-KRWDZBQOSA-N 0 0 336.388 2.679 10 5 EFBERN Cc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188644012 474151870 /nfs/dbraw/zinc/15/18/70/474151870.db2.gz XGMBWXOQXOLKFN-HNNXBMFYSA-N 0 0 348.380 2.705 10 5 EFBERN O=[N+]([O-])c1cnc(NC2(CCO)CCCC2)c(Br)c1 ZINC000289130452 474158306 /nfs/dbraw/zinc/15/83/06/474158306.db2.gz NHTROPKOIFIKEM-UHFFFAOYSA-N 0 0 330.182 2.859 10 5 EFBERN CC(C)(C)C[C@@H](O)Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000289138318 474161040 /nfs/dbraw/zinc/16/10/40/474161040.db2.gz LZGBPEJOGSJLRM-LBPRGKRZSA-N 0 0 348.403 2.972 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000270548857 474165884 /nfs/dbraw/zinc/16/58/84/474165884.db2.gz LSMKACLKLWHQPU-SNVBAGLBSA-N 0 0 340.401 2.778 10 5 EFBERN C[C@H](NC(=O)N[C@H]1CCCc2nn(C)cc21)c1ccccc1[N+](=O)[O-] ZINC000282715435 474166131 /nfs/dbraw/zinc/16/61/31/474166131.db2.gz KIFFUGZCROLNEP-FZMZJTMJSA-N 0 0 343.387 2.766 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1CCCc2nn(C)cc21)c1ccccc1[N+](=O)[O-] ZINC000282715432 474166509 /nfs/dbraw/zinc/16/65/09/474166509.db2.gz KIFFUGZCROLNEP-BXUZGUMPSA-N 0 0 343.387 2.766 10 5 EFBERN CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175278418 474179175 /nfs/dbraw/zinc/17/91/75/474179175.db2.gz VQMXVSLKJPEVCI-DTWKUNHWSA-N 0 0 336.460 2.609 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000188787327 474195882 /nfs/dbraw/zinc/19/58/82/474195882.db2.gz JJLVDTKPNTUONR-GFCCVEGCSA-N 0 0 343.387 2.835 10 5 EFBERN COc1cc(C=O)c([N+](=O)[O-])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000224216351 474196930 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COc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1C ZINC000188912100 474231706 /nfs/dbraw/zinc/23/17/06/474231706.db2.gz PUMDVZXRBCRJAI-HIFRSBDPSA-N 0 0 334.372 2.695 10 5 EFBERN COCCc1nc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000289360452 474236356 /nfs/dbraw/zinc/23/63/56/474236356.db2.gz MWCBJCRWBIBFCY-UHFFFAOYSA-N 0 0 347.249 2.765 10 5 EFBERN COc1ncnc2c1CN([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000182727544 474243015 /nfs/dbraw/zinc/24/30/15/474243015.db2.gz GJPBWLICZYMMMZ-GFCCVEGCSA-N 0 0 328.372 2.821 10 5 EFBERN COc1ncnc2c1CN([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000182727566 474243478 /nfs/dbraw/zinc/24/34/78/474243478.db2.gz GJPBWLICZYMMMZ-LBPRGKRZSA-N 0 0 328.372 2.821 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248043529 474249445 /nfs/dbraw/zinc/24/94/45/474249445.db2.gz UHCBMHLIRYZNFD-XJKSGUPXSA-N 0 0 335.360 2.630 10 5 EFBERN COC(=O)CCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000275621488 474255558 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EFBERN CNc1c(C(=O)N2CCCC[C@H](CCOC)C2)cccc1[N+](=O)[O-] ZINC000345167239 474954271 /nfs/dbraw/zinc/95/42/71/474954271.db2.gz TWILBDNYWKXUQE-CYBMUJFWSA-N 0 0 335.404 2.915 10 5 EFBERN Cc1csc([C@H](C)NC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000341099172 474971414 /nfs/dbraw/zinc/97/14/14/474971414.db2.gz ZDLCADKFMQHRKB-NSHDSACASA-N 0 0 334.401 2.963 10 5 EFBERN COC(=O)c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc(C)c1[N+](=O)[O-] ZINC000268453538 474987933 /nfs/dbraw/zinc/98/79/33/474987933.db2.gz BHHYHSWCHGOZDC-NILFDRSVSA-N 0 0 334.372 2.915 10 5 EFBERN Cc1nc(N(C)[C@H]2CCN(c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000268487590 475010148 /nfs/dbraw/zinc/01/01/48/475010148.db2.gz MZBUJUSFNGFJHK-HNNXBMFYSA-N 0 0 344.346 2.679 10 5 EFBERN CCOC[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000268489382 475011195 /nfs/dbraw/zinc/01/11/95/475011195.db2.gz NTEAJSMMBBHVFP-ZDUSSCGKSA-N 0 0 336.388 2.943 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC(Oc3ccc(F)cc3F)CC2)nc1 ZINC000273685536 475012563 /nfs/dbraw/zinc/01/25/63/475012563.db2.gz ZVGUOLAQGGMKBX-UHFFFAOYSA-N 0 0 336.298 2.711 10 5 EFBERN COC(=O)c1cc(NC[C@@H](CO)c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000268495436 475014368 /nfs/dbraw/zinc/01/43/68/475014368.db2.gz QEFXRTHVVXAKMA-AWEZNQCLSA-N 0 0 344.367 2.878 10 5 EFBERN CC(C)(C)c1noc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2F)n1 ZINC000339183620 475015879 /nfs/dbraw/zinc/01/58/79/475015879.db2.gz DBQPPVLDFKHJOT-UHFFFAOYSA-N 0 0 336.323 2.986 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000345236782 475016904 /nfs/dbraw/zinc/01/69/04/475016904.db2.gz VEYLCRWEMCLBIH-UHFFFAOYSA-N 0 0 340.735 2.586 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C)n1C1CC1 ZINC000285426510 475018321 /nfs/dbraw/zinc/01/83/21/475018321.db2.gz ODOOESLJVOSJKI-MDZDMXLPSA-N 0 0 327.344 2.872 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN1c1nccs1 ZINC000339189389 475019707 /nfs/dbraw/zinc/01/97/07/475019707.db2.gz OFQHWVSIYLCEKE-LBPRGKRZSA-N 0 0 336.348 2.798 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292436549 475025488 /nfs/dbraw/zinc/02/54/88/475025488.db2.gz WNRSLPRAIOQKBK-OLZOCXBDSA-N 0 0 346.355 2.569 10 5 EFBERN C[C@H](NC(=O)N1CC[C@@]2(C1)CCCOC2)c1cccc([N+](=O)[O-])c1 ZINC000341201920 475027165 /nfs/dbraw/zinc/02/71/65/475027165.db2.gz DOCUZZZXRHSUTH-SUMWQHHRSA-N 0 0 333.388 2.868 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000617246077 480139714 /nfs/dbraw/zinc/13/97/14/480139714.db2.gz JJJIUWGZMQPREJ-BXKDBHETSA-N 0 0 330.381 2.580 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC(F)(F)F)c2)n1 ZINC000345273523 475048500 /nfs/dbraw/zinc/04/85/00/475048500.db2.gz WLRMSARZBWQLEA-UHFFFAOYSA-N 0 0 344.249 2.522 10 5 EFBERN Cc1cc(NCc2cccc(N3CCOCC3)n2)c(F)cc1[N+](=O)[O-] ZINC000292493721 475055155 /nfs/dbraw/zinc/05/51/55/475055155.db2.gz FIKDOYGJAANPFJ-UHFFFAOYSA-N 0 0 346.362 2.886 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccccc2s1 ZINC000345296783 475071177 /nfs/dbraw/zinc/07/11/77/475071177.db2.gz MOHLBMXEWWECFS-UHFFFAOYSA-N 0 0 342.380 2.880 10 5 EFBERN C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281151026 475092281 /nfs/dbraw/zinc/09/22/81/475092281.db2.gz HMIRHCOBPOMJPX-SKDRFNHKSA-N 0 0 336.369 2.604 10 5 EFBERN CN(C)C(=O)C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000341509790 475101493 /nfs/dbraw/zinc/10/14/93/475101493.db2.gz WGHPZDDZVNCCJY-AWEZNQCLSA-N 0 0 333.413 2.966 10 5 EFBERN Cc1cn2cc(NC(=O)CCOc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000339267585 475102357 /nfs/dbraw/zinc/10/23/57/475102357.db2.gz CYSOYZUZKGMQLR-UHFFFAOYSA-N 0 0 340.339 2.959 10 5 EFBERN C[C@@H](c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1)C1CC1 ZINC000273887890 475102856 /nfs/dbraw/zinc/10/28/56/475102856.db2.gz FXXDYWCCALJZSK-MRVPVSSYSA-N 0 0 348.384 2.883 10 5 EFBERN Cc1ncc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(C2CC2)n1 ZINC000341527970 475115734 /nfs/dbraw/zinc/11/57/34/475115734.db2.gz JWMNMZXRLIHZPY-UHFFFAOYSA-N 0 0 342.311 2.552 10 5 EFBERN CC(C)(C(=O)N1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1F ZINC000273919796 475118693 /nfs/dbraw/zinc/11/86/93/475118693.db2.gz QHNOSIAOUFJAMG-UHFFFAOYSA-N 0 0 332.335 2.645 10 5 EFBERN CC[C@@H](NC(=O)c1ccnc2c1ncn2C)c1cccc([N+](=O)[O-])c1 ZINC000345351653 475119075 /nfs/dbraw/zinc/11/90/75/475119075.db2.gz IHDKYEJCKOYUKE-CQSZACIVSA-N 0 0 339.355 2.758 10 5 EFBERN C[C@@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000337556739 475123462 /nfs/dbraw/zinc/12/34/62/475123462.db2.gz RUGWIJFGCXVRTI-CXAGYDPISA-N 0 0 345.374 2.748 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCOC[C@@H]1CC(F)F ZINC000287396200 475129213 /nfs/dbraw/zinc/12/92/13/475129213.db2.gz CECSAEYBQFHLPB-NSHDSACASA-N 0 0 329.303 2.791 10 5 EFBERN CN(CC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccccc1[N+](=O)[O-] ZINC000292659922 475137112 /nfs/dbraw/zinc/13/71/12/475137112.db2.gz BTLBHRMRMFYIML-DZGCQCFKSA-N 0 0 339.342 2.535 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)Cc2c(C)noc2C)c1[N+](=O)[O-] ZINC000287418813 475139209 /nfs/dbraw/zinc/13/92/09/475139209.db2.gz UBBWHPLUZFVBMY-MRVPVSSYSA-N 0 0 348.359 2.733 10 5 EFBERN C[C@]12CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1C2(F)F ZINC000292677676 475146347 /nfs/dbraw/zinc/14/63/47/475146347.db2.gz CSBFDUPLZARPAG-OCCSQVGLSA-N 0 0 344.289 2.616 10 5 EFBERN C[C@H]1[C@@H](O)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000295981849 475154148 /nfs/dbraw/zinc/15/41/48/475154148.db2.gz IUKRUNOVJAOWIH-UFBFGSQYSA-N 0 0 332.278 2.599 10 5 EFBERN O=C(CC1(C(F)(F)F)CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000345397315 475159236 /nfs/dbraw/zinc/15/92/36/475159236.db2.gz VRIRXMPWYUVHGO-UHFFFAOYSA-N 0 0 346.309 2.687 10 5 EFBERN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ncccc1C ZINC000341605532 475179733 /nfs/dbraw/zinc/17/97/33/475179733.db2.gz GBTLMQNNQDKSLF-UHFFFAOYSA-N 0 0 329.312 2.694 10 5 EFBERN CC[C@H](C)N(CC(=O)OC)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000281357688 475183813 /nfs/dbraw/zinc/18/38/13/475183813.db2.gz MNTSZMIWDWRJHT-XSNHNAGMSA-N 0 0 334.372 2.798 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000617285191 480151449 /nfs/dbraw/zinc/15/14/49/480151449.db2.gz UFTJKVZSZOAXCP-HNNXBMFYSA-N 0 0 336.388 2.929 10 5 EFBERN CO[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000296088167 475192472 /nfs/dbraw/zinc/19/24/72/475192472.db2.gz OUTRUVNRQAPPHF-OAHLLOKOSA-N 0 0 331.372 2.963 10 5 EFBERN CO[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000296088165 475192862 /nfs/dbraw/zinc/19/28/62/475192862.db2.gz OUTRUVNRQAPPHF-HNNXBMFYSA-N 0 0 331.372 2.963 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1(C(F)(F)F)CC1 ZINC000345506298 475225274 /nfs/dbraw/zinc/22/52/74/475225274.db2.gz XELVSGHXPHNORJ-UHFFFAOYSA-N 0 0 331.294 2.779 10 5 EFBERN CC1(C)OCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000296245451 475237740 /nfs/dbraw/zinc/23/77/40/475237740.db2.gz BHHQUXYYHPEMLN-LBPRGKRZSA-N 0 0 327.768 2.615 10 5 EFBERN Cc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000361168056 475238842 /nfs/dbraw/zinc/23/88/42/475238842.db2.gz RPOZINDQSTUPBT-AWEZNQCLSA-N 0 0 342.351 2.863 10 5 EFBERN Cc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000361168057 475240306 /nfs/dbraw/zinc/24/03/06/475240306.db2.gz RPOZINDQSTUPBT-CQSZACIVSA-N 0 0 342.351 2.863 10 5 EFBERN C[C@@H]1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC000341709081 475241077 /nfs/dbraw/zinc/24/10/77/475241077.db2.gz BLYSGALJXDUABJ-SFYZADRCSA-N 0 0 329.150 2.721 10 5 EFBERN Cc1cccc(CN(CC(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000357906090 475249151 /nfs/dbraw/zinc/24/91/51/475249151.db2.gz FPKOSBMPPHKTSX-UHFFFAOYSA-N 0 0 330.388 2.935 10 5 EFBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000354554466 475250729 /nfs/dbraw/zinc/25/07/29/475250729.db2.gz QLUOCQMJIFXKSU-PSVSLLHZSA-N 0 0 341.367 2.860 10 5 EFBERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000337699668 475252056 /nfs/dbraw/zinc/25/20/56/475252056.db2.gz VPETWGADJUDRMI-UHFFFAOYSA-N 0 0 344.302 2.690 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC(F)(F)F)c2)n1 ZINC000357911182 475254653 /nfs/dbraw/zinc/25/46/53/475254653.db2.gz NDQJBNXUBASMAZ-UHFFFAOYSA-N 0 0 328.250 2.685 10 5 EFBERN CC(C)n1cc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc2n1 ZINC000357918527 475260761 /nfs/dbraw/zinc/26/07/61/475260761.db2.gz ZSYDFGKVDCYJDH-UHFFFAOYSA-N 0 0 328.332 2.511 10 5 EFBERN O=C(NCc1ccn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000341737941 475262593 /nfs/dbraw/zinc/26/25/93/475262593.db2.gz OJKUHVSBAWFTBR-UHFFFAOYSA-N 0 0 336.351 2.770 10 5 EFBERN Cc1nn(C)c(C)c1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341739677 475263556 /nfs/dbraw/zinc/26/35/56/475263556.db2.gz CILFCVONGRUYDB-UHFFFAOYSA-N 0 0 332.389 2.604 10 5 EFBERN C[C@H]1COCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341739503 475263579 /nfs/dbraw/zinc/26/35/79/475263579.db2.gz SOWLCHWHJZQZPH-UFBFGSQYSA-N 0 0 343.177 2.968 10 5 EFBERN CC[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000352412836 475268029 /nfs/dbraw/zinc/26/80/29/475268029.db2.gz JJPDDRLJACTNPU-LRDDRELGSA-N 0 0 342.342 2.643 10 5 EFBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1=O ZINC000354585150 475271466 /nfs/dbraw/zinc/27/14/66/475271466.db2.gz HLBUGBVZRVSKJY-PTRXPTGYSA-N 0 0 341.314 2.617 10 5 EFBERN O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)C[C@H]2CCCC2(F)F)c1 ZINC000296355440 475280485 /nfs/dbraw/zinc/28/04/85/475280485.db2.gz QPDUKJRDZKCNFD-MRVPVSSYSA-N 0 0 339.291 2.878 10 5 EFBERN C[C@@H]1C[C@H](S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000296364102 475284958 /nfs/dbraw/zinc/28/49/58/475284958.db2.gz RCUQZIYXXAXHKY-RKDXNWHRSA-N 0 0 335.765 2.524 10 5 EFBERN C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000341769031 475286712 /nfs/dbraw/zinc/28/67/12/475286712.db2.gz GUPOTZVIUTXXMO-SMDDNHRTSA-N 0 0 339.351 2.898 10 5 EFBERN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000345645224 475332079 /nfs/dbraw/zinc/33/20/79/475332079.db2.gz UPAVSNPAUKNCIR-JTQLQIEISA-N 0 0 326.296 2.522 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CC(F)(F)F)CC2)n1 ZINC000347397174 475296107 /nfs/dbraw/zinc/29/61/07/475296107.db2.gz YUNGATKWXHVPGB-UHFFFAOYSA-N 0 0 334.298 2.616 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000296406608 475301128 /nfs/dbraw/zinc/30/11/28/475301128.db2.gz WXBPPVUCOCCURH-SSDOTTSWSA-N 0 0 349.206 2.716 10 5 EFBERN CC(C)(c1noc(Cn2cnc([N+](=O)[O-])n2)n1)c1ccc(Cl)cc1 ZINC000347408070 475303247 /nfs/dbraw/zinc/30/32/47/475303247.db2.gz DFPKIJROFVOIDI-UHFFFAOYSA-N 0 0 348.750 2.597 10 5 EFBERN CCC[C@H]1C[C@@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000361253824 475305864 /nfs/dbraw/zinc/30/58/64/475305864.db2.gz UTUXLJNGYKWVBW-JSGCOSHPSA-N 0 0 344.371 2.740 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000345616303 475309389 /nfs/dbraw/zinc/30/93/89/475309389.db2.gz WFZCPGHZIZRPSR-NSHDSACASA-N 0 0 340.323 2.768 10 5 EFBERN COc1cccc(N2C[C@H](Nc3ncc(C)cc3[N+](=O)[O-])CC2=O)c1 ZINC000361264518 475313135 /nfs/dbraw/zinc/31/31/35/475313135.db2.gz ZIQVQLPKJURCLJ-GFCCVEGCSA-N 0 0 342.355 2.524 10 5 EFBERN CC(C)Cn1ncc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1C(C)C ZINC000347443661 475314999 /nfs/dbraw/zinc/31/49/99/475314999.db2.gz FIKMEMKTVUBFGU-UHFFFAOYSA-N 0 0 334.380 2.557 10 5 EFBERN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nncs1 ZINC000361295007 475333393 /nfs/dbraw/zinc/33/33/93/475333393.db2.gz HGIDNOJJQUAUCV-UHFFFAOYSA-N 0 0 347.381 2.846 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC(c4ncc[nH]4)CC3)nc2c1 ZINC000361271431 475317380 /nfs/dbraw/zinc/31/73/80/475317380.db2.gz GNKNFJCPMYCPRU-UHFFFAOYSA-N 0 0 326.360 2.574 10 5 EFBERN O=C(NC1CC1)c1ccc(N[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000337784673 475321079 /nfs/dbraw/zinc/32/10/79/475321079.db2.gz AJZLGRCFEDGUBT-OAHLLOKOSA-N 0 0 347.415 2.840 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000352468936 475325682 /nfs/dbraw/zinc/32/56/82/475325682.db2.gz BDCWQRVRTROKOE-SECBINFHSA-N 0 0 332.809 2.881 10 5 EFBERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000337792832 475328636 /nfs/dbraw/zinc/32/86/36/475328636.db2.gz CXESCCRGYYGGHW-CHWSQXEVSA-N 0 0 347.415 2.857 10 5 EFBERN CC(C)OC(=O)CC[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000352473771 475328740 /nfs/dbraw/zinc/32/87/40/475328740.db2.gz BNVFCZBAMYZHLR-NSHDSACASA-N 0 0 347.371 2.926 10 5 EFBERN CC[C@H](CC(F)(F)F)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000354670251 475329204 /nfs/dbraw/zinc/32/92/04/475329204.db2.gz IPLAHZFFHQNWDF-SNVBAGLBSA-N 0 0 340.323 2.745 10 5 EFBERN CCNc1ccc(C(=O)N2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341832953 475339788 /nfs/dbraw/zinc/33/97/88/475339788.db2.gz YNTUEQBWRRADBY-KRWDZBQOSA-N 0 0 333.388 2.669 10 5 EFBERN CCOC[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)C ZINC000354706505 475348588 /nfs/dbraw/zinc/34/85/88/475348588.db2.gz LOJOKRJOOFTGMO-LLVKDONJSA-N 0 0 346.330 2.987 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(CO)c(F)c2)s1 ZINC000341847524 475352849 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COc1ccc([N+](=O)[O-])c(C(=O)NCCCNc2ccccc2F)c1 ZINC000345716635 475389812 /nfs/dbraw/zinc/38/98/12/475389812.db2.gz SYYQHBWYOFECBJ-UHFFFAOYSA-N 0 0 347.346 2.975 10 5 EFBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000341907413 475401913 /nfs/dbraw/zinc/40/19/13/475401913.db2.gz WYELSTNKORSWJV-UHFFFAOYSA-N 0 0 338.289 2.962 10 5 EFBERN COc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000358127579 475423430 /nfs/dbraw/zinc/42/34/30/475423430.db2.gz QOPNUDOHHZHCIH-UHFFFAOYSA-N 0 0 347.346 2.732 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)n1 ZINC000361424094 475439532 /nfs/dbraw/zinc/43/95/32/475439532.db2.gz FUFPKGSTUQYQJF-QGZVFWFLSA-N 0 0 346.362 2.754 10 5 EFBERN Cc1cn(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nc1[N+](=O)[O-] ZINC000337935153 475444976 /nfs/dbraw/zinc/44/49/76/475444976.db2.gz FNBGDDUQEVTNIF-AWEZNQCLSA-N 0 0 342.399 2.927 10 5 EFBERN Cc1cn(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nc1[N+](=O)[O-] ZINC000337935154 475444987 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O=C(c1ccnc2ccncc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354854208 475462871 /nfs/dbraw/zinc/46/28/71/475462871.db2.gz ZGJKRQQKMYYIAV-UHFFFAOYSA-N 0 0 334.335 2.737 10 5 EFBERN C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342004040 475497297 /nfs/dbraw/zinc/49/72/97/475497297.db2.gz MXBBEGAROOHMFO-WDEREUQCSA-N 0 0 333.388 2.603 10 5 EFBERN O=C(CN1CCc2ccc([N+](=O)[O-])cc21)Nc1cc(F)cc(F)c1 ZINC000348222342 475499305 /nfs/dbraw/zinc/49/93/05/475499305.db2.gz QDRUXBVHBDKIQS-UHFFFAOYSA-N 0 0 333.294 2.874 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237210 475512177 /nfs/dbraw/zinc/51/21/77/475512177.db2.gz YKXYGMVLBONGIV-GXFFZTMASA-N 0 0 345.321 2.830 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339810134 475521738 /nfs/dbraw/zinc/52/17/38/475521738.db2.gz DEMRIMDGQADPFT-DTWKUNHWSA-N 0 0 338.751 2.616 10 5 EFBERN COc1cc(CN(CCO)Cc2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000361532180 475525028 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Cn1cc2c(n1)CCC[C@@H]2NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000338138183 475617565 /nfs/dbraw/zinc/61/75/65/475617565.db2.gz WBDBXNUXJNPRMM-LBPRGKRZSA-N 0 0 346.412 2.614 10 5 EFBERN CNC(=O)C[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000361645522 475625023 /nfs/dbraw/zinc/62/50/23/475625023.db2.gz DPLIDFIDDFXHKT-INIZCTEOSA-N 0 0 343.383 2.570 10 5 EFBERN COCCOc1cccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000358372019 475626805 /nfs/dbraw/zinc/62/68/05/475626805.db2.gz XZRHMCZGLSAYFH-UHFFFAOYSA-N 0 0 344.367 2.858 10 5 EFBERN O=[N+]([O-])c1cccc(CN2CCO[C@H](COc3ccccc3)C2)c1 ZINC000361653874 475633264 /nfs/dbraw/zinc/63/32/64/475633264.db2.gz JMBBGFGORTWNEF-SFHVURJKSA-N 0 0 328.368 2.875 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCOc4ccccc43)no2)n1 ZINC000346530907 475635535 /nfs/dbraw/zinc/63/55/35/475635535.db2.gz DOQPITJTHUIVFK-LLVKDONJSA-N 0 0 341.327 2.776 10 5 EFBERN C[C@@]1(F)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000297164504 475636787 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CN1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000362775023 476401871 /nfs/dbraw/zinc/40/18/71/476401871.db2.gz AOSZEEFHSXTADT-HIFRSBDPSA-N 0 0 349.387 2.971 10 5 EFBERN C[C@H]1C[C@@H](c2noc(CCNc3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000357492504 476415091 /nfs/dbraw/zinc/41/50/91/476415091.db2.gz YRGQLZDNWNPPEL-RYUDHWBXSA-N 0 0 332.360 2.915 10 5 EFBERN CCc1cc(NC(=O)[C@@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000377491258 476416473 /nfs/dbraw/zinc/41/64/73/476416473.db2.gz SABJGOZUZMLALP-GFCCVEGCSA-N 0 0 343.383 2.883 10 5 EFBERN COc1cc(Cc2noc([C@@H]3CC34CC4)n2)c([N+](=O)[O-])c(OC)c1 ZINC000351345896 476417696 /nfs/dbraw/zinc/41/76/96/476417696.db2.gz YFIOQCGNRHCEMK-NSHDSACASA-N 0 0 331.328 2.853 10 5 EFBERN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000357503141 476419142 /nfs/dbraw/zinc/41/91/42/476419142.db2.gz SQHAVTJOPXMMAD-DGCLKSJQSA-N 0 0 342.399 2.937 10 5 EFBERN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000373734116 476423037 /nfs/dbraw/zinc/42/30/37/476423037.db2.gz ARGCDEBIIBJSDP-HNNXBMFYSA-N 0 0 343.387 2.882 10 5 EFBERN COc1ncccc1N(C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000362817406 476423491 /nfs/dbraw/zinc/42/34/91/476423491.db2.gz LDXNQDOTULVJGE-UHFFFAOYSA-N 0 0 333.369 2.997 10 5 EFBERN CCN1C[C@@H](c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000351373902 476427858 /nfs/dbraw/zinc/42/78/58/476427858.db2.gz IAHKOJNLULEVLB-JTQLQIEISA-N 0 0 348.384 2.606 10 5 EFBERN CCN1C[C@@H](c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000351375378 476428825 /nfs/dbraw/zinc/42/88/25/476428825.db2.gz BAJJSDMKBGUSMN-NSHDSACASA-N 0 0 344.371 2.640 10 5 EFBERN CC(C)c1[nH]nc(C(=O)N2CCc3c2c(F)ccc3F)c1[N+](=O)[O-] ZINC000354107429 476431355 /nfs/dbraw/zinc/43/13/55/476431355.db2.gz KZDBCRZYFUKXAH-UHFFFAOYSA-N 0 0 336.298 2.922 10 5 EFBERN COc1cccc(N(C)Cc2nc(-c3cccnc3)no2)c1[N+](=O)[O-] ZINC000357529888 476435500 /nfs/dbraw/zinc/43/55/00/476435500.db2.gz ICDUKZSOIRKKMQ-UHFFFAOYSA-N 0 0 341.327 2.685 10 5 EFBERN CCOc1ccc(C(=O)N2CCC(CCCO)CC2)cc1[N+](=O)[O-] ZINC000360866960 476439470 /nfs/dbraw/zinc/43/94/70/476439470.db2.gz IFRZWCIBFUZOAJ-UHFFFAOYSA-N 0 0 336.388 2.618 10 5 EFBERN CO[C@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1ccccc1Cl ZINC000357558936 476454041 /nfs/dbraw/zinc/45/40/41/476454041.db2.gz NIPWMEKFTSMYFE-LBPRGKRZSA-N 0 0 349.734 2.768 10 5 EFBERN CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000360888368 476456486 /nfs/dbraw/zinc/45/64/86/476456486.db2.gz LWELSWBSXOZROJ-MNOVXSKESA-N 0 0 330.406 2.706 10 5 EFBERN COc1cc(-c2nc(COC[C@@H]3CCOC3)no2)cc([N+](=O)[O-])c1C ZINC000351450988 476463658 /nfs/dbraw/zinc/46/36/58/476463658.db2.gz QQMDBRXQTXDWHU-LLVKDONJSA-N 0 0 349.343 2.515 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC3CCC2CC3)c(F)c1 ZINC000362913223 476477756 /nfs/dbraw/zinc/47/77/56/476477756.db2.gz QCANEEOWQPBIAK-SRHKJQAYSA-N 0 0 328.365 2.591 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000362921886 476482456 /nfs/dbraw/zinc/48/24/56/476482456.db2.gz KNRJKZAXQLKSQD-SNVBAGLBSA-N 0 0 334.344 2.759 10 5 EFBERN Cc1cccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000369707654 476487600 /nfs/dbraw/zinc/48/76/00/476487600.db2.gz VIIGCURNCWKMEV-GLJUWKHASA-N 0 0 348.399 2.702 10 5 EFBERN CNc1c(C(=O)NCCC[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000360945235 476494303 /nfs/dbraw/zinc/49/43/03/476494303.db2.gz QVLROUAVXVHMGQ-SWLSCSKDSA-N 0 0 335.404 2.698 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000374711512 476497480 /nfs/dbraw/zinc/49/74/80/476497480.db2.gz REIWHZMOMAMWEI-ZDUSSCGKSA-N 0 0 329.331 2.834 10 5 EFBERN CNc1c(C(=O)NCCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000360956876 476503431 /nfs/dbraw/zinc/50/34/31/476503431.db2.gz WWWMSZKBFWZGKV-UHFFFAOYSA-N 0 0 335.310 2.887 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000360970310 476515317 /nfs/dbraw/zinc/51/53/17/476515317.db2.gz ZIHHDLXOIYVLPV-QGZVFWFLSA-N 0 0 348.399 2.562 10 5 EFBERN CNC(=O)c1ccc(N2CCc3ccc(F)c(F)c3C2)c([N+](=O)[O-])c1 ZINC000362995563 476520224 /nfs/dbraw/zinc/52/02/24/476520224.db2.gz DHJLNZKHPPWZLU-UHFFFAOYSA-N 0 0 347.321 2.795 10 5 EFBERN CN(c1ccccc1)c1ccc(CN2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000360987776 476526243 /nfs/dbraw/zinc/52/62/43/476526243.db2.gz ULQFJZSMWYITBL-UHFFFAOYSA-N 0 0 340.383 2.594 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NC1CCC(c2nc(C)no2)CC1 ZINC000360990591 476527349 /nfs/dbraw/zinc/52/73/49/476527349.db2.gz MODNVWOFFNSHIV-UHFFFAOYSA-N 0 0 334.380 2.949 10 5 EFBERN CC(C)CO[C@H](C)c1noc(CN(C)c2ccncc2[N+](=O)[O-])n1 ZINC000360993961 476530141 /nfs/dbraw/zinc/53/01/41/476530141.db2.gz GDZXAXWURDWVFI-LLVKDONJSA-N 0 0 335.364 2.743 10 5 EFBERN Nc1ccc(C(=O)N2CC[C@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000374791586 476531162 /nfs/dbraw/zinc/53/11/62/476531162.db2.gz FRRIXXIPVFXWNJ-QGZVFWFLSA-N 0 0 329.331 2.888 10 5 EFBERN CC(=O)N(Cc1ccc(Nc2ccncc2[N+](=O)[O-])cc1)C1CC1 ZINC000361004338 476537358 /nfs/dbraw/zinc/53/73/58/476537358.db2.gz WXORNWZUFPJMPF-UHFFFAOYSA-N 0 0 326.356 2.666 10 5 EFBERN CSc1ccc(C(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000354278017 476555411 /nfs/dbraw/zinc/55/54/11/476555411.db2.gz RAJIRDWJDYAVHL-NSHDSACASA-N 0 0 338.410 2.842 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](Cc2ccncc2)C1 ZINC000361034552 476556317 /nfs/dbraw/zinc/55/63/17/476556317.db2.gz LQRIVYWAYPNFIV-ZDUSSCGKSA-N 0 0 329.331 2.834 10 5 EFBERN CC[C@]1(C2CC2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000352214174 476556817 /nfs/dbraw/zinc/55/68/17/476556817.db2.gz NLZQCNVXHAPTFU-OAHLLOKOSA-N 0 0 337.763 2.859 10 5 EFBERN C[C@H](NC(=O)c1cc(-n2ccnc2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000352225422 476564980 /nfs/dbraw/zinc/56/49/80/476564980.db2.gz LRMGYWNJONSHAT-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN Cc1c(NC(=O)Cn2ccc(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000354298317 476570201 /nfs/dbraw/zinc/57/02/01/476570201.db2.gz YCEWHJSTOHQAJV-UHFFFAOYSA-N 0 0 337.335 2.857 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H]1COc2ccccc2O1 ZINC000361072740 476581680 /nfs/dbraw/zinc/58/16/80/476581680.db2.gz GRIZNKLAHZGSLY-LBPRGKRZSA-N 0 0 332.360 2.762 10 5 EFBERN COc1cccc(N2CCO[C@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000357759739 476584265 /nfs/dbraw/zinc/58/42/65/476584265.db2.gz SYJFXIRVXGSQIR-HNNXBMFYSA-N 0 0 344.367 2.888 10 5 EFBERN COc1cccc(N2CCO[C@@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000357759740 476584348 /nfs/dbraw/zinc/58/43/48/476584348.db2.gz SYJFXIRVXGSQIR-OAHLLOKOSA-N 0 0 344.367 2.888 10 5 EFBERN Cc1cnc(OCC(=O)c2ccnc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000361085332 476591096 /nfs/dbraw/zinc/59/10/96/476591096.db2.gz DUALPEDAFJHAQD-UHFFFAOYSA-N 0 0 341.245 2.974 10 5 EFBERN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000365526308 476604320 /nfs/dbraw/zinc/60/43/20/476604320.db2.gz JSIRODUXLYVUMK-HNNXBMFYSA-N 0 0 343.339 2.560 10 5 EFBERN CO[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000352282288 476608266 /nfs/dbraw/zinc/60/82/66/476608266.db2.gz XZBVBRNKWZSZLV-MEDUHNTESA-N 0 0 330.340 2.865 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCOCC3)[C@H]2C)c1 ZINC000374959242 476611288 /nfs/dbraw/zinc/61/12/88/476611288.db2.gz CSFVDRYVOASDEY-GFCCVEGCSA-N 0 0 334.372 2.635 10 5 EFBERN Cc1c(CC(=O)N2CC[C@@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000369998193 476623734 /nfs/dbraw/zinc/62/37/34/476623734.db2.gz RDHBQXQAPJNALX-INIZCTEOSA-N 0 0 339.395 2.932 10 5 EFBERN CC(C)COCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361146694 476633769 /nfs/dbraw/zinc/63/37/69/476633769.db2.gz HITMBQKAYVBHOB-UHFFFAOYSA-N 0 0 330.331 2.594 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000375010160 476634854 /nfs/dbraw/zinc/63/48/54/476634854.db2.gz JBHYPFVCUFILOC-UHFFFAOYSA-N 0 0 346.770 2.900 10 5 EFBERN O=C(c1cc(-n2cccc2)ccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361147518 476635570 /nfs/dbraw/zinc/63/55/70/476635570.db2.gz YJYDLFVXVNEBQG-UHFFFAOYSA-N 0 0 334.335 2.983 10 5 EFBERN Cc1sc(C(=O)NCC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000361151495 476638737 /nfs/dbraw/zinc/63/87/37/476638737.db2.gz FJKZFHHHRVOWRZ-LLVKDONJSA-N 0 0 348.380 2.925 10 5 EFBERN O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(F)cc1[N+](=O)[O-] ZINC000361152969 476640769 /nfs/dbraw/zinc/64/07/69/476640769.db2.gz IMVSNRLNJAHYPD-LBPRGKRZSA-N 0 0 346.314 2.694 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CO)c1ccsc1 ZINC000352332272 476642151 /nfs/dbraw/zinc/64/21/51/476642151.db2.gz ZHSNTCKHPBFHBE-GFCCVEGCSA-N 0 0 337.357 2.520 10 5 EFBERN CN(CC1CCOCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000357854459 476650892 /nfs/dbraw/zinc/65/08/92/476650892.db2.gz CBMJHZXMVBLTII-UHFFFAOYSA-N 0 0 338.379 2.897 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC12CCCC2 ZINC000354430078 476656157 /nfs/dbraw/zinc/65/61/57/476656157.db2.gz WDCMVVAWFWWUQH-OAHLLOKOSA-N 0 0 345.399 2.935 10 5 EFBERN NC(=O)[C@H]1CCCCC[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362198 476662785 /nfs/dbraw/zinc/66/27/85/476662785.db2.gz UYJKOXJVCWHCJG-GXTWGEPZSA-N 0 0 328.372 2.989 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC2(CCOCC2)CC1 ZINC000378035517 476676599 /nfs/dbraw/zinc/67/65/99/476676599.db2.gz OXTSWPKVTWFTTB-UHFFFAOYSA-N 0 0 333.388 2.767 10 5 EFBERN COc1cc(NCc2cccnc2-n2ccnc2)c([N+](=O)[O-])cc1F ZINC000378056085 476680267 /nfs/dbraw/zinc/68/02/67/476680267.db2.gz OUMWJJFGLNDCLR-UHFFFAOYSA-N 0 0 343.318 2.935 10 5 EFBERN COc1cc(NCc2cccnc2-n2ccnc2)ccc1[N+](=O)[O-] ZINC000378064580 476681541 /nfs/dbraw/zinc/68/15/41/476681541.db2.gz YLVYXWUZDNLHCH-UHFFFAOYSA-N 0 0 325.328 2.796 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nnc2n1CCCCC2 ZINC000378204337 476686263 /nfs/dbraw/zinc/68/62/63/476686263.db2.gz LWPLEDHLNDKQKF-LBPRGKRZSA-N 0 0 327.388 2.864 10 5 EFBERN CCCCNC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000429794377 476691577 /nfs/dbraw/zinc/69/15/77/476691577.db2.gz IJHHXQBBXZNRAX-UHFFFAOYSA-N 0 0 344.209 2.994 10 5 EFBERN COc1ccc(CNC(=O)c2ncccc2OC(C)C)cc1[N+](=O)[O-] ZINC000429818734 476695662 /nfs/dbraw/zinc/69/56/62/476695662.db2.gz FWTQPWJXCOOFGS-UHFFFAOYSA-N 0 0 345.355 2.716 10 5 EFBERN CCOc1cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000451883878 476698655 /nfs/dbraw/zinc/69/86/55/476698655.db2.gz FRMJFKZSZPJUMG-SMDDNHRTSA-N 0 0 348.321 2.739 10 5 EFBERN C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000422029393 476701814 /nfs/dbraw/zinc/70/18/14/476701814.db2.gz IPWJZENPSADDBF-PRHODGIISA-N 0 0 332.278 2.599 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@]2(CCOC2)C1 ZINC000456721397 476709300 /nfs/dbraw/zinc/70/93/00/476709300.db2.gz NASZLNZOZTXUGP-KRWDZBQOSA-N 0 0 329.356 2.719 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@]2(CCOC2)C1 ZINC000456740401 476718628 /nfs/dbraw/zinc/71/86/28/476718628.db2.gz VJHGBYZDMPGJQP-GOSISDBHSA-N 0 0 343.383 2.579 10 5 EFBERN CC(C)(c1ccc(F)cc1)C1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000456777124 476733575 /nfs/dbraw/zinc/73/35/75/476733575.db2.gz OXUNHKYKCIWHLD-UHFFFAOYSA-N 0 0 332.335 2.697 10 5 EFBERN CC1=C[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430001413 476733867 /nfs/dbraw/zinc/73/38/67/476733867.db2.gz LJCFOOAPDFXHEV-VIFPVBQESA-N 0 0 330.793 2.835 10 5 EFBERN C/C(=C\c1nc(CC(=O)NC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445279274 476736155 /nfs/dbraw/zinc/73/61/55/476736155.db2.gz NLXURAHPWMFWFB-DHZHZOJOSA-N 0 0 330.344 2.605 10 5 EFBERN O=C(NCCC[C@@H]1CCOC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456785009 476738221 /nfs/dbraw/zinc/73/82/21/476738221.db2.gz XVKDCGYXDSQOIQ-SNVBAGLBSA-N 0 0 344.314 2.743 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N2CCCC2)no1 ZINC000445351309 476738508 /nfs/dbraw/zinc/73/85/08/476738508.db2.gz KICYLNPVVVUZEX-ZRDIBKRKSA-N 0 0 342.355 2.703 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375262237 476744068 /nfs/dbraw/zinc/74/40/68/476744068.db2.gz PZTLOISSLJODML-NSHDSACASA-N 0 0 343.343 2.877 10 5 EFBERN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1csnn1 ZINC000413814381 476745032 /nfs/dbraw/zinc/74/50/32/476745032.db2.gz OXHVHQWNYCARGY-JTQLQIEISA-N 0 0 347.400 2.882 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CCCc2cc(F)ccc2F)n1 ZINC000445578862 476752152 /nfs/dbraw/zinc/75/21/52/476752152.db2.gz GHCFYWKTERNECV-UHFFFAOYSA-N 0 0 349.297 2.832 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2cnc(C3CC3)nc2N)no1 ZINC000445597339 476752889 /nfs/dbraw/zinc/75/28/89/476752889.db2.gz PDTZNUXMWVBQOY-UHFFFAOYSA-N 0 0 338.327 2.700 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(=O)n(C)c2)no1 ZINC000445617526 476755362 /nfs/dbraw/zinc/75/53/62/476755362.db2.gz ZIPAIKMDHHPVAI-PKNBQFBNSA-N 0 0 338.323 2.904 10 5 EFBERN CC[C@H]1[C@H](CO)CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000385719454 476760934 /nfs/dbraw/zinc/76/09/34/476760934.db2.gz RZNKAJGZXHWPBR-UWVGGRQHSA-N 0 0 344.209 2.658 10 5 EFBERN C[C@@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000365925864 476767275 /nfs/dbraw/zinc/76/72/75/476767275.db2.gz ZEAIPAUEQXZHDY-GFCCVEGCSA-N 0 0 343.387 2.968 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000456871858 476770239 /nfs/dbraw/zinc/77/02/39/476770239.db2.gz SDHKIBUFNNTOMM-JSGCOSHPSA-N 0 0 326.356 2.761 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456887537 476777343 /nfs/dbraw/zinc/77/73/43/476777343.db2.gz VHXYWMBGLKSLRY-WFASDCNBSA-N 0 0 326.356 2.556 10 5 EFBERN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000430234550 476787262 /nfs/dbraw/zinc/78/72/62/476787262.db2.gz ALWAOZGCINGDIY-LLVKDONJSA-N 0 0 337.335 2.679 10 5 EFBERN CCCCCCOCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365965142 476787392 /nfs/dbraw/zinc/78/73/92/476787392.db2.gz IYVDAFPSSOYDSC-UHFFFAOYSA-N 0 0 338.408 2.552 10 5 EFBERN O=C(N[C@@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1SCCO ZINC000430260759 476796584 /nfs/dbraw/zinc/79/65/84/476796584.db2.gz SHBLDVQQWCLEEV-CQSZACIVSA-N 0 0 336.413 2.742 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@]3(C2)CCCOC3)c1 ZINC000375361233 476797015 /nfs/dbraw/zinc/79/70/15/476797015.db2.gz LEYPNOIORQLOIO-GOSISDBHSA-N 0 0 348.399 2.701 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@]3(C2)CCCOC3)c1 ZINC000375361234 476797201 /nfs/dbraw/zinc/79/72/01/476797201.db2.gz LEYPNOIORQLOIO-SFHVURJKSA-N 0 0 348.399 2.701 10 5 EFBERN Nc1nccc([C@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000365989756 476800728 /nfs/dbraw/zinc/80/07/28/476800728.db2.gz ONXKNGDYYAQOAE-LBPRGKRZSA-N 0 0 347.806 2.830 10 5 EFBERN CC1(C)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445993074 476806347 /nfs/dbraw/zinc/80/63/47/476806347.db2.gz SDDYRZSEBWMSRT-LLVKDONJSA-N 0 0 327.178 2.815 10 5 EFBERN COC[C@@H]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000452089984 476816082 /nfs/dbraw/zinc/81/60/82/476816082.db2.gz RVSOUAAFCYLPEK-CQSZACIVSA-N 0 0 335.404 2.590 10 5 EFBERN Cc1sc(C(=O)N2CCN[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000456986040 476818479 /nfs/dbraw/zinc/81/84/79/476818479.db2.gz IYEGZIWNCSRFBZ-CYBMUJFWSA-N 0 0 331.397 2.751 10 5 EFBERN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000446083999 476826461 /nfs/dbraw/zinc/82/64/61/476826461.db2.gz STUJPOIJUVDTTD-GMTAPVOTSA-N 0 0 341.795 2.684 10 5 EFBERN COc1cccc(NCc2nn(C)cc2Br)c1[N+](=O)[O-] ZINC000393368128 476832764 /nfs/dbraw/zinc/83/27/64/476832764.db2.gz IABSDYTZIZPHDS-UHFFFAOYSA-N 0 0 341.165 2.712 10 5 EFBERN O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375428754 476833119 /nfs/dbraw/zinc/83/31/19/476833119.db2.gz WJCQRZSPUGDPFM-AWEZNQCLSA-N 0 0 328.372 2.887 10 5 EFBERN CCOC(=O)C[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446189297 476842792 /nfs/dbraw/zinc/84/27/92/476842792.db2.gz QJZGMHUMOMRJGT-SECBINFHSA-N 0 0 328.752 2.628 10 5 EFBERN COC[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000457050411 476847753 /nfs/dbraw/zinc/84/77/53/476847753.db2.gz VQRXAIALXFEYBX-LBPRGKRZSA-N 0 0 331.372 2.965 10 5 EFBERN CC(C)[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000446318482 476860348 /nfs/dbraw/zinc/86/03/48/476860348.db2.gz CDEFHVJQOAEVRG-CYBMUJFWSA-N 0 0 328.372 2.899 10 5 EFBERN CCOc1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457076631 476860463 /nfs/dbraw/zinc/86/04/63/476860463.db2.gz OCILWYCEJXGBDB-UHFFFAOYSA-N 0 0 335.404 2.598 10 5 EFBERN Cc1nccnc1N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370536016 476860604 /nfs/dbraw/zinc/86/06/04/476860604.db2.gz OKJYFWMUNPUXTN-CQSZACIVSA-N 0 0 327.388 2.576 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375491150 476866902 /nfs/dbraw/zinc/86/69/02/476866902.db2.gz SOIYFXIYKOEPQR-UHFFFAOYSA-N 0 0 345.330 2.778 10 5 EFBERN COC[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000457098450 476873876 /nfs/dbraw/zinc/87/38/76/476873876.db2.gz XPNVGFFFHTUGJW-GFCCVEGCSA-N 0 0 331.372 2.965 10 5 EFBERN COc1ccc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1[N+](=O)[O-] ZINC000414182297 476874639 /nfs/dbraw/zinc/87/46/39/476874639.db2.gz DBCIDPLKLMKCMR-MRXNPFEDSA-N 0 0 339.351 2.771 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(CO)CCCC1 ZINC000446423173 476875621 /nfs/dbraw/zinc/87/56/21/476875621.db2.gz CMJNSBZARACKDD-UHFFFAOYSA-N 0 0 326.780 2.839 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2cc(OC)ccc2F)cc([N+](=O)[O-])c1 ZINC000446500337 476881219 /nfs/dbraw/zinc/88/12/19/476881219.db2.gz YMZAIKURCOCVAG-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366145844 476881318 /nfs/dbraw/zinc/88/13/18/476881318.db2.gz WGAIKUOFFWABIH-LBPRGKRZSA-N 0 0 326.356 2.865 10 5 EFBERN C[C@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000452211231 476884254 /nfs/dbraw/zinc/88/42/54/476884254.db2.gz YOIKWXZUKFZHJK-INIZCTEOSA-N 0 0 332.335 2.745 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000370591633 476886378 /nfs/dbraw/zinc/88/63/78/476886378.db2.gz BYUVVDURRXVVCR-OAHLLOKOSA-N 0 0 349.350 2.631 10 5 EFBERN C[C@@H](CC(C)(C)C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457124622 476889266 /nfs/dbraw/zinc/88/92/66/476889266.db2.gz PVPBNFOLPNVKDD-ZDUSSCGKSA-N 0 0 334.420 2.711 10 5 EFBERN CN1CCO[C@@H](CSc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000400821605 476895424 /nfs/dbraw/zinc/89/54/24/476895424.db2.gz QFJVPHGYVADEDR-SNVBAGLBSA-N 0 0 347.234 2.780 10 5 EFBERN CCOC1(C)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000452280477 476903128 /nfs/dbraw/zinc/90/31/28/476903128.db2.gz CRXKYVHHZWGRDM-UHFFFAOYSA-N 0 0 343.177 2.608 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000366200961 476903804 /nfs/dbraw/zinc/90/38/04/476903804.db2.gz KOSJFEKRXGPNME-CQSZACIVSA-N 0 0 341.323 2.696 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375585833 476904669 /nfs/dbraw/zinc/90/46/69/476904669.db2.gz YMZSZHMZMPQXQB-KRWDZBQOSA-N 0 0 334.372 2.636 10 5 EFBERN Cc1cnc(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000457180786 476915319 /nfs/dbraw/zinc/91/53/19/476915319.db2.gz VMOQHXKVANQUPH-UHFFFAOYSA-N 0 0 334.763 2.628 10 5 EFBERN Cc1cc(OCC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000430801364 476919189 /nfs/dbraw/zinc/91/91/89/476919189.db2.gz ZIFAAYKVJBSREY-CABCVRRESA-N 0 0 348.399 2.557 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000430811282 476920964 /nfs/dbraw/zinc/92/09/64/476920964.db2.gz OTMTXYCYUNHSQX-UHFFFAOYSA-N 0 0 343.236 2.785 10 5 EFBERN Cc1cc(N2CCC[C@]3(CNC(=O)C3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000408115085 476939480 /nfs/dbraw/zinc/93/94/80/476939480.db2.gz HJQMPGPSPCHLLZ-SFHVURJKSA-N 0 0 340.383 2.558 10 5 EFBERN CC[C@H](NC(=O)N1CC([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000366310206 476952083 /nfs/dbraw/zinc/95/20/83/476952083.db2.gz CMSWFKQAZZRPGE-CJNGLKHVSA-N 0 0 333.388 2.724 10 5 EFBERN CCOC(=O)c1nnc(SCc2ccccc2[N+](=O)[O-])s1 ZINC000447119370 476956366 /nfs/dbraw/zinc/95/63/66/476956366.db2.gz JMVKXYSGIGRUTP-UHFFFAOYSA-N 0 0 325.371 2.915 10 5 EFBERN Cn1ncc(Br)c1-c1nc2cc([N+](=O)[O-])ccc2n1C ZINC000447133072 476957231 /nfs/dbraw/zinc/95/72/31/476957231.db2.gz NEXHLUSDQYHPDA-UHFFFAOYSA-N 0 0 336.149 2.645 10 5 EFBERN CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000447170522 476960688 /nfs/dbraw/zinc/96/06/88/476960688.db2.gz VIQBERQMUFGKDZ-SNVBAGLBSA-N 0 0 332.809 2.915 10 5 EFBERN COC(=O)[C@H](CC1CC1)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000415893170 476960941 /nfs/dbraw/zinc/96/09/41/476960941.db2.gz OZDMOYPIJYIIIM-NSHDSACASA-N 0 0 340.763 2.628 10 5 EFBERN O=[N+]([O-])c1ccc(NCCNc2ncnc3c2ncn3C2CC2)cc1 ZINC000431029111 476963497 /nfs/dbraw/zinc/96/34/97/476963497.db2.gz XYGBCQXCKHMZAV-UHFFFAOYSA-N 0 0 339.359 2.593 10 5 EFBERN Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc(OCCO)c1 ZINC000447224989 476964019 /nfs/dbraw/zinc/96/40/19/476964019.db2.gz ZVKQORVLKGKRKL-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1C1CC1 ZINC000370752700 476967603 /nfs/dbraw/zinc/96/76/03/476967603.db2.gz HQVLHNXHTCXUMD-NSHDSACASA-N 0 0 330.793 2.811 10 5 EFBERN C[C@H]1C[C@H](CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)CCO1 ZINC000447284215 476970832 /nfs/dbraw/zinc/97/08/32/476970832.db2.gz DJUDYEROTRRVSB-WDEREUQCSA-N 0 0 349.412 2.749 10 5 EFBERN CC(C)(C)C1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000457349134 476985197 /nfs/dbraw/zinc/98/51/97/476985197.db2.gz ZDGWIAWETDSKQB-UHFFFAOYSA-N 0 0 328.372 2.899 10 5 EFBERN C[C@H]1CC[C@H](CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)O1 ZINC000457360570 476988662 /nfs/dbraw/zinc/98/86/62/476988662.db2.gz KDHXJLMMYAJEDX-DTWKUNHWSA-N 0 0 332.278 2.911 10 5 EFBERN Cc1c(NC(=O)Cc2ccon2)cc(Br)cc1[N+](=O)[O-] ZINC000431176441 476990052 /nfs/dbraw/zinc/99/00/52/476990052.db2.gz CGTYOUHBOCTVSA-UHFFFAOYSA-N 0 0 340.133 2.835 10 5 EFBERN Cc1c(NC(=O)Cn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000431184047 476991809 /nfs/dbraw/zinc/99/18/09/476991809.db2.gz SNDWYSWEOXLMIM-UHFFFAOYSA-N 0 0 339.149 2.501 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000431261643 476999380 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Cn1ccnc1[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000450949904 477771900 /nfs/dbraw/zinc/77/19/00/477771900.db2.gz LLLKYLAPTCREHT-SKDRFNHKSA-N 0 0 337.767 2.709 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2Cc2ccccc2C)n1 ZINC000427854407 477781071 /nfs/dbraw/zinc/78/10/71/477781071.db2.gz YYOSFWYHSORCPW-OAHLLOKOSA-N 0 0 342.399 2.967 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)c2ccncc2OC)c([N+](=O)[O-])cc1F ZINC000451013809 477791432 /nfs/dbraw/zinc/79/14/32/477791432.db2.gz KEQDYESPHOAEIS-VIFPVBQESA-N 0 0 349.318 2.637 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(C(C)C)nn1 ZINC000456154086 477802160 /nfs/dbraw/zinc/80/21/60/477802160.db2.gz AEYHZOKWJITLQJ-UHFFFAOYSA-N 0 0 332.364 2.840 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2 ZINC000428025263 477806415 /nfs/dbraw/zinc/80/64/15/477806415.db2.gz YRQQCNOHQFPVCO-UHFFFAOYSA-N 0 0 340.339 2.597 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC12CCC(CC1)CC2 ZINC000451082560 477814149 /nfs/dbraw/zinc/81/41/49/477814149.db2.gz GQJJMIYSSZWYAV-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN O=[N+]([O-])c1ccc(OCc2noc(Cc3ccccc3)n2)cc1CO ZINC000428080710 477816584 /nfs/dbraw/zinc/81/65/84/477816584.db2.gz QVYLCACVKZAECJ-UHFFFAOYSA-N 0 0 341.323 2.640 10 5 EFBERN CCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000428082464 477817063 /nfs/dbraw/zinc/81/70/63/477817063.db2.gz ZXDZWDWXOCBKPO-UHFFFAOYSA-N 0 0 344.367 2.515 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000428103287 477820720 /nfs/dbraw/zinc/82/07/20/477820720.db2.gz YCJIZNCRLRYMCQ-JYAVWHMHSA-N 0 0 336.413 2.862 10 5 EFBERN C[C@H](NCc1cc(-c2cnn(C)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000451106137 477827055 /nfs/dbraw/zinc/82/70/55/477827055.db2.gz VGMVNIXSHYNQHD-NSHDSACASA-N 0 0 327.344 2.834 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000557963999 477835962 /nfs/dbraw/zinc/83/59/62/477835962.db2.gz LHLNGKKPCKELJG-OAHLLOKOSA-N 0 0 346.408 2.739 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)N[C@H](C)CO)cc1 ZINC000428354766 477875021 /nfs/dbraw/zinc/87/50/21/477875021.db2.gz ZTJZQVZDEXIRCF-CYBMUJFWSA-N 0 0 343.383 2.626 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(Cc2ccc(F)cc2)CC1 ZINC000456365231 477888937 /nfs/dbraw/zinc/88/89/37/477888937.db2.gz HQKCCFVGSCQDBT-UHFFFAOYSA-N 0 0 329.331 2.942 10 5 EFBERN O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)nc1OCc1ccccc1 ZINC000462697963 477915410 /nfs/dbraw/zinc/91/54/10/477915410.db2.gz PLFHVPDCLCJGQT-UHFFFAOYSA-N 0 0 338.367 2.973 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000421031488 477919958 /nfs/dbraw/zinc/91/99/58/477919958.db2.gz KPFZQLYGYHFRHC-GFCCVEGCSA-N 0 0 335.360 2.515 10 5 EFBERN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@H](CO)CC(C)(C)C ZINC000456419699 477924741 /nfs/dbraw/zinc/92/47/41/477924741.db2.gz LXNKUJYCSZCBSQ-LBPRGKRZSA-N 0 0 333.388 2.945 10 5 EFBERN COC(=O)c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)cc(C)c1[N+](=O)[O-] ZINC000439085014 477928387 /nfs/dbraw/zinc/92/83/87/477928387.db2.gz LNMXDOICAYLZJB-UONOGXRCSA-N 0 0 348.399 2.943 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOc2ncccc21 ZINC000439145129 477936087 /nfs/dbraw/zinc/93/60/87/477936087.db2.gz CWJNPGKLPYNRGN-UHFFFAOYSA-N 0 0 333.731 2.991 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439271416 477953939 /nfs/dbraw/zinc/95/39/39/477953939.db2.gz GKVPLLGDAYQBDJ-LSDHHAIUSA-N 0 0 348.399 2.639 10 5 EFBERN CC(C)(C(=O)N=c1cc([C@@H]2CCCO2)[nH][nH]1)c1ccccc1[N+](=O)[O-] ZINC000451326111 477954563 /nfs/dbraw/zinc/95/45/63/477954563.db2.gz BSGFGYZMHDZQTH-AWEZNQCLSA-N 0 0 344.371 2.508 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCOCC12CCCCC2 ZINC000456525650 477964775 /nfs/dbraw/zinc/96/47/75/477964775.db2.gz QTGUCEIBDMVVCU-UHFFFAOYSA-N 0 0 348.399 2.925 10 5 EFBERN CN(CC(=O)N1CCOCC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000456528727 477966890 /nfs/dbraw/zinc/96/68/90/477966890.db2.gz WFAPRTACGUHLGU-UHFFFAOYSA-N 0 0 347.415 2.593 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)nc2c1 ZINC000451351222 477968597 /nfs/dbraw/zinc/96/85/97/477968597.db2.gz IKWFFAUAKHMPKO-XYPHTWIQSA-N 0 0 344.415 2.987 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)nc2c1 ZINC000451351217 477969043 /nfs/dbraw/zinc/96/90/43/477969043.db2.gz IKWFFAUAKHMPKO-KBRIMQKVSA-N 0 0 344.415 2.987 10 5 EFBERN CNc1nccc(C(=O)N(C)[C@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000516661067 477969662 /nfs/dbraw/zinc/96/96/62/477969662.db2.gz KGDVQGCOBLZXPT-GFCCVEGCSA-N 0 0 328.372 2.595 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456559368 477983105 /nfs/dbraw/zinc/98/31/05/477983105.db2.gz JCMMXWMDWKAXDX-INIZCTEOSA-N 0 0 344.371 2.837 10 5 EFBERN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000428838469 477992912 /nfs/dbraw/zinc/99/29/12/477992912.db2.gz YIHDKFPZRBRAKB-ZDUSSCGKSA-N 0 0 344.408 2.523 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000456595368 477999303 /nfs/dbraw/zinc/99/93/03/477999303.db2.gz UMIOCIPOKMLSBR-AWEZNQCLSA-N 0 0 330.344 2.772 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C)CC1 ZINC000439691309 478018385 /nfs/dbraw/zinc/01/83/85/478018385.db2.gz AMSMUWFKFURPEU-LBPRGKRZSA-N 0 0 349.387 2.581 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000494590122 478018714 /nfs/dbraw/zinc/01/87/14/478018714.db2.gz CVXYZOSAFYXMMQ-SNVBAGLBSA-N 0 0 344.323 2.823 10 5 EFBERN CC[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H](CC)O1 ZINC000421258470 478021720 /nfs/dbraw/zinc/02/17/20/478021720.db2.gz FESJLNPSXVDEAG-HUUCEWRRSA-N 0 0 345.403 2.784 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000533027655 478025724 /nfs/dbraw/zinc/02/57/24/478025724.db2.gz PECBEBVMMCQLKH-HUUCEWRRSA-N 0 0 333.388 2.553 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(OC)n1 ZINC000439874097 478041860 /nfs/dbraw/zinc/04/18/60/478041860.db2.gz WISDFTUZGMZNEH-UHFFFAOYSA-N 0 0 346.343 2.719 10 5 EFBERN CCOC[C@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000494737010 478056198 /nfs/dbraw/zinc/05/61/98/478056198.db2.gz QNWOBUFAWRYFRP-KGLIPLIRSA-N 0 0 349.431 2.986 10 5 EFBERN COc1cc(C[N@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000517161192 478057521 /nfs/dbraw/zinc/05/75/21/478057521.db2.gz PSNMAHLFRPUIGV-MRXNPFEDSA-N 0 0 344.367 2.731 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000560381139 478061666 /nfs/dbraw/zinc/06/16/66/478061666.db2.gz VSZUJNWKEBUFPB-AWEZNQCLSA-N 0 0 328.372 2.634 10 5 EFBERN CC[C@H](NC(=O)c1cnn2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC000487842272 478078869 /nfs/dbraw/zinc/07/88/69/478078869.db2.gz QGOQDDQYFHISIH-AWEZNQCLSA-N 0 0 325.328 2.519 10 5 EFBERN Cc1nn(C)c(C)c1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487932813 478088682 /nfs/dbraw/zinc/08/86/82/478088682.db2.gz SRFYFZLICZGKBO-UHFFFAOYSA-N 0 0 325.372 2.570 10 5 EFBERN CN(C(=O)CN1CC2CC1(C(F)(F)F)C2)c1ccc([N+](=O)[O-])cc1 ZINC000459803187 478102181 /nfs/dbraw/zinc/10/21/81/478102181.db2.gz JRMPQIIVYBROKY-UHFFFAOYSA-N 0 0 343.305 2.584 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1nccc(C(F)F)n1 ZINC000487994132 478102916 /nfs/dbraw/zinc/10/29/16/478102916.db2.gz XSSMQERAVXKPSP-UHFFFAOYSA-N 0 0 331.282 2.905 10 5 EFBERN O=C(NCCCc1cccc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517592539 478106826 /nfs/dbraw/zinc/10/68/26/478106826.db2.gz HGVHJYDWDKBGDL-UHFFFAOYSA-N 0 0 346.314 2.825 10 5 EFBERN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccnn1C ZINC000421488412 478106841 /nfs/dbraw/zinc/10/68/41/478106841.db2.gz FTJHYQQABUKIIC-GFCCVEGCSA-N 0 0 328.372 2.623 10 5 EFBERN NC(=O)c1cccc(CSc2c3ccccc3ncc2[N+](=O)[O-])n1 ZINC000488098201 478118079 /nfs/dbraw/zinc/11/80/79/478118079.db2.gz HSVKVFDBIFCSPC-UHFFFAOYSA-N 0 0 340.364 2.929 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488130700 478120471 /nfs/dbraw/zinc/12/04/71/478120471.db2.gz XDNODYCFKWUPRL-NSHDSACASA-N 0 0 339.399 2.958 10 5 EFBERN NC(=O)[C@H]1CCCCC[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000534310675 478140569 /nfs/dbraw/zinc/14/05/69/478140569.db2.gz UFEQNDYINUJTKO-JSGCOSHPSA-N 0 0 328.372 2.989 10 5 EFBERN C[C@@H]1CCC[C@H](NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)[C@H]1C ZINC000534514314 478154677 /nfs/dbraw/zinc/15/46/77/478154677.db2.gz BYQPLVSXEXBCIG-KEYYUXOJSA-N 0 0 345.443 2.894 10 5 EFBERN CCOC[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488493301 478154857 /nfs/dbraw/zinc/15/48/57/478154857.db2.gz UJAXUUQKGNGAHJ-JTQLQIEISA-N 0 0 329.784 2.515 10 5 EFBERN Cc1cn2cc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)sc2n1 ZINC000534572141 478157727 /nfs/dbraw/zinc/15/77/27/478157727.db2.gz HDLHURRRJCVJHR-UHFFFAOYSA-N 0 0 342.380 2.811 10 5 EFBERN Cc1ccc2c(CCNC(=O)c3ccc([N+](=O)[O-])[nH]3)cn(C)c2c1 ZINC000440857411 478170016 /nfs/dbraw/zinc/17/00/16/478170016.db2.gz FLDURPKFIZYAIR-UHFFFAOYSA-N 0 0 326.356 2.696 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(CC(F)F)CC1CCC1 ZINC000534896848 478178100 /nfs/dbraw/zinc/17/81/00/478178100.db2.gz GOLTUIGBCPVXTH-UHFFFAOYSA-N 0 0 342.298 2.831 10 5 EFBERN CSc1cccc(C(=O)N2CC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000518570493 478179195 /nfs/dbraw/zinc/17/91/95/478179195.db2.gz YEVAHUKKNDJYKV-QMMMGPOBSA-N 0 0 332.328 2.770 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCCS1 ZINC000518604912 478180222 /nfs/dbraw/zinc/18/02/22/478180222.db2.gz GGBUNQMXPLZZSL-ZDUSSCGKSA-N 0 0 348.428 2.813 10 5 EFBERN Cc1cccc2[nH]c(CNC(=O)NCc3cccc([N+](=O)[O-])c3)nc21 ZINC000535022882 478187301 /nfs/dbraw/zinc/18/73/01/478187301.db2.gz VMTLZZIXCOVGJD-UHFFFAOYSA-N 0 0 339.355 2.779 10 5 EFBERN CN(CC(=O)N[C@H]1CCCC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000488946213 478203840 /nfs/dbraw/zinc/20/38/40/478203840.db2.gz OBRBDQGSONHBJP-NSHDSACASA-N 0 0 327.331 2.725 10 5 EFBERN CCCCO[C@@H](C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561848327 478206097 /nfs/dbraw/zinc/20/60/97/478206097.db2.gz DHDUOYKKNUNJHW-LBPRGKRZSA-N 0 0 333.388 2.940 10 5 EFBERN O=C(NCCCc1ccccn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535310979 478206580 /nfs/dbraw/zinc/20/65/80/478206580.db2.gz LVHYHDFGXDLJLX-UHFFFAOYSA-N 0 0 340.383 2.690 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOCC12CCCCC2 ZINC000451811964 478213282 /nfs/dbraw/zinc/21/32/82/478213282.db2.gz GFMNPSCVJACYNJ-UHFFFAOYSA-N 0 0 347.415 2.877 10 5 EFBERN COc1c(F)cc(S(=O)(=O)NC(C)(C)C2CCC2)cc1[N+](=O)[O-] ZINC000451862134 478226872 /nfs/dbraw/zinc/22/68/72/478226872.db2.gz GKKNCPOCZCGDJM-UHFFFAOYSA-N 0 0 346.380 2.600 10 5 EFBERN CC(C)c1nnc2c(NCCNc3ccc([N+](=O)[O-])cc3)nccn21 ZINC000489343852 478236206 /nfs/dbraw/zinc/23/62/06/478236206.db2.gz VPVHBFQWHILOHY-UHFFFAOYSA-N 0 0 341.375 2.680 10 5 EFBERN CC(C)c1nnc2c(N(C)Cc3ccccc3[N+](=O)[O-])nccn21 ZINC000489368445 478238142 /nfs/dbraw/zinc/23/81/42/478238142.db2.gz QDKQKYCTSQKQDR-UHFFFAOYSA-N 0 0 326.360 2.792 10 5 EFBERN CCCc1n[nH]c(C(=O)N(C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000489416478 478243797 /nfs/dbraw/zinc/24/37/97/478243797.db2.gz 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EFBERN CC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594598552 478457672 /nfs/dbraw/zinc/45/76/72/478457672.db2.gz GTMBNKQVGUHVHV-STQMWFEESA-N 0 0 337.376 2.844 10 5 EFBERN Nc1cc(N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc(CO)c1[N+](=O)[O-] ZINC000594599362 478458552 /nfs/dbraw/zinc/45/85/52/478458552.db2.gz JONLXFPTGBWQIR-JQWIXIFHSA-N 0 0 349.309 2.581 10 5 EFBERN CC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594599967 478459233 /nfs/dbraw/zinc/45/92/33/478459233.db2.gz KVRCFTFZQOGRFG-KOLCDFICSA-N 0 0 348.446 2.819 10 5 EFBERN COC[C@@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000594601407 478460559 /nfs/dbraw/zinc/46/05/59/478460559.db2.gz UJBZNQXXLWSOLA-LLVKDONJSA-N 0 0 344.433 2.861 10 5 EFBERN COC(=O)c1cnc(N2C[C@@H](C)OC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000594602629 478461127 /nfs/dbraw/zinc/46/11/27/478461127.db2.gz YQMWKNIWGYEUTL-GFCCVEGCSA-N 0 0 349.387 2.704 10 5 EFBERN CC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594603248 478462609 /nfs/dbraw/zinc/46/26/09/478462609.db2.gz SJQANOOMENNYSG-SWLSCSKDSA-N 0 0 342.417 2.758 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000600674492 478463974 /nfs/dbraw/zinc/46/39/74/478463974.db2.gz LHDFIYDQMDQOEF-QLFBSQMISA-N 0 0 334.372 2.679 10 5 EFBERN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000600674474 478464154 /nfs/dbraw/zinc/46/41/54/478464154.db2.gz NJIROBUXAQPOQP-INIZCTEOSA-N 0 0 346.339 2.641 10 5 EFBERN O=C([O-])[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000600676267 478465207 /nfs/dbraw/zinc/46/52/07/478465207.db2.gz VABLBIWIYRUFGJ-MJBXVCDLSA-N 0 0 334.372 2.549 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1csc(C(F)(F)F)c1 ZINC000600683899 478467805 /nfs/dbraw/zinc/46/78/05/478467805.db2.gz UJLVAXZCMOWTIH-UHFFFAOYSA-N 0 0 348.306 2.578 10 5 EFBERN CCCC[C@H](COC)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600692118 478470461 /nfs/dbraw/zinc/47/04/61/478470461.db2.gz SSQFUFFWNAQUTI-PBHICJAKSA-N 0 0 349.387 2.567 10 5 EFBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000600691865 478470838 /nfs/dbraw/zinc/47/08/38/478470838.db2.gz MAWALSICCDEFBO-BMIGLBTASA-N 0 0 341.323 2.810 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000600689663 478471570 /nfs/dbraw/zinc/47/15/70/478471570.db2.gz UKSCOWZRVHOVQO-BONVTDFDSA-N 0 0 341.323 2.810 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCC(F)(F)C2)C1=O ZINC000600693253 478472461 /nfs/dbraw/zinc/47/24/61/478472461.db2.gz FNKWGVHWQYUFOQ-FZMZJTMJSA-N 0 0 339.298 2.550 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000600694238 478472737 /nfs/dbraw/zinc/47/27/37/478472737.db2.gz HYEWQGJXBTWJSW-ZDUSSCGKSA-N 0 0 347.306 2.599 10 5 EFBERN CC(C)(C(=O)NCC1(C(F)(F)F)CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000600696496 478473073 /nfs/dbraw/zinc/47/30/73/478473073.db2.gz QHIGFHGNLSRRSW-UHFFFAOYSA-N 0 0 348.325 2.765 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@H]2CCCCS2)C1=O ZINC000600698112 478473904 /nfs/dbraw/zinc/47/39/04/478473904.db2.gz UVKGOKQSWVIVDO-CZUORRHYSA-N 0 0 349.412 2.648 10 5 EFBERN CC[C@@H]1CCC[C@@H]1N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600698832 478474433 /nfs/dbraw/zinc/47/44/33/478474433.db2.gz XCMXTPIFEOLHSN-HYSWKAIVSA-N 0 0 331.372 2.941 10 5 EFBERN CC(C)C[C@@H]1C[C@H]1N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600704337 478475618 /nfs/dbraw/zinc/47/56/18/478475618.db2.gz NGPQEDHVAOXPQP-JDSLSITLSA-N 0 0 331.372 2.796 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CC(F)(F)F ZINC000600701725 478475698 /nfs/dbraw/zinc/47/56/98/478475698.db2.gz QOCYCDNUCAXPSV-UHFFFAOYSA-N 0 0 341.289 2.968 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCc2ccco2)C1=O ZINC000600702551 478475746 /nfs/dbraw/zinc/47/57/46/478475746.db2.gz PKXXWCPXISQSFA-QGZVFWFLSA-N 0 0 343.339 2.588 10 5 EFBERN CCC[C@H](CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)OCC ZINC000600703888 478475928 /nfs/dbraw/zinc/47/59/28/478475928.db2.gz UOWOGMGQMYRHAK-PBHICJAKSA-N 0 0 349.387 2.567 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCc2ccco2)C1=O ZINC000600702547 478476072 /nfs/dbraw/zinc/47/60/72/478476072.db2.gz PKXXWCPXISQSFA-KRWDZBQOSA-N 0 0 343.339 2.588 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CC3(CCC3)C2)C1=O ZINC000600706555 478477217 /nfs/dbraw/zinc/47/72/17/478477217.db2.gz RLCVNBWUQFVOHG-INIZCTEOSA-N 0 0 329.356 2.695 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@H]2CCCSC2)C1=O ZINC000600711939 478478517 /nfs/dbraw/zinc/47/85/17/478478517.db2.gz IBNVZYQXQGBDES-BZNIZROVSA-N 0 0 349.412 2.505 10 5 EFBERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc21 ZINC000600708184 478479001 /nfs/dbraw/zinc/47/90/01/478479001.db2.gz JNNSWASOLFYKLE-SNVBAGLBSA-N 0 0 342.355 2.656 10 5 EFBERN Cc1csc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000600713671 478480782 /nfs/dbraw/zinc/48/07/82/478480782.db2.gz PFQODUBQAYTZHA-INIZCTEOSA-N 0 0 345.380 2.932 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC2(F)CCC2)C1=O ZINC000600713398 478480929 /nfs/dbraw/zinc/48/09/29/478480929.db2.gz OGBHVXNQQOBQNL-OAHLLOKOSA-N 0 0 335.335 2.644 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597727223 478481781 /nfs/dbraw/zinc/48/17/81/478481781.db2.gz KYJYHCKTPDCAKW-CQSZACIVSA-N 0 0 332.385 2.774 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000597725794 478481894 /nfs/dbraw/zinc/48/18/94/478481894.db2.gz AHZYBTQJUOLYJM-ZDUSSCGKSA-N 0 0 330.344 2.694 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000597728287 478483636 /nfs/dbraw/zinc/48/36/36/478483636.db2.gz SQSMWHLWKLQKTO-LLVKDONJSA-N 0 0 343.387 2.882 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597729777 478484774 /nfs/dbraw/zinc/48/47/74/478484774.db2.gz OWHSOQLPEVQZBA-CQSZACIVSA-N 0 0 336.298 2.502 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cn[nH]c1 ZINC000597729123 478484801 /nfs/dbraw/zinc/48/48/01/478484801.db2.gz BEJCBBPBDQRKFD-MRXNPFEDSA-N 0 0 343.387 2.874 10 5 EFBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1CSC1 ZINC000597747799 478488042 /nfs/dbraw/zinc/48/80/42/478488042.db2.gz XYEIELHWAUYHCI-UHFFFAOYSA-N 0 0 332.834 2.820 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC(Cc2cccs2)C1 ZINC000600763194 478509716 /nfs/dbraw/zinc/50/97/16/478509716.db2.gz JPFNBNRRXPGQSC-UHFFFAOYSA-N 0 0 331.397 2.769 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600772522 478513951 /nfs/dbraw/zinc/51/39/51/478513951.db2.gz DHOWTIJMCSBVTJ-CQSZACIVSA-N 0 0 344.342 2.998 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000600775285 478515161 /nfs/dbraw/zinc/51/51/61/478515161.db2.gz UDFPHFKWCUGOMS-LBPRGKRZSA-N 0 0 344.371 2.777 10 5 EFBERN COc1c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cccc1[N+](=O)[O-] ZINC000600777486 478515669 /nfs/dbraw/zinc/51/56/69/478515669.db2.gz UQPDRJISAZZQKH-ZDUSSCGKSA-N 0 0 342.351 2.939 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600777033 478516563 /nfs/dbraw/zinc/51/65/63/478516563.db2.gz YMGGYUBBTOATLE-AWEZNQCLSA-N 0 0 341.367 2.728 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)n1 ZINC000600801397 478526468 /nfs/dbraw/zinc/52/64/68/478526468.db2.gz HAGMWPCOGFKRKH-GFCCVEGCSA-N 0 0 334.763 2.789 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600800447 478526584 /nfs/dbraw/zinc/52/65/84/478526584.db2.gz LGNBWVJVCBKONF-YALNPMBYSA-N 0 0 332.400 2.535 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600800446 478526830 /nfs/dbraw/zinc/52/68/30/478526830.db2.gz LGNBWVJVCBKONF-XJNFMUPTSA-N 0 0 332.400 2.535 10 5 EFBERN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744574 478526828 /nfs/dbraw/zinc/52/68/28/478526828.db2.gz KQPAWAIWPITXIM-UHFFFAOYSA-N 0 0 335.385 2.589 10 5 EFBERN COc1ccc(CC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000571137760 478527476 /nfs/dbraw/zinc/52/74/76/478527476.db2.gz ZDGOKORSVOPKLN-QZNHQWIBSA-N 0 0 342.395 2.817 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H]1c1ccsc1 ZINC000594746989 478527632 /nfs/dbraw/zinc/52/76/32/478527632.db2.gz AYRRACCFHADRQV-NSHDSACASA-N 0 0 339.398 2.577 10 5 EFBERN COC[C@@]1(C)CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600805645 478528831 /nfs/dbraw/zinc/52/88/31/478528831.db2.gz CAABRJQJCQPFDF-QGZVFWFLSA-N 0 0 336.388 2.596 10 5 EFBERN CCN(Cc1ccccc1C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594747981 478528900 /nfs/dbraw/zinc/52/89/00/478528900.db2.gz GUUJOUXTPRFNDR-UHFFFAOYSA-N 0 0 335.385 2.509 10 5 EFBERN CC(C)CN(C1CCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752864 478529944 /nfs/dbraw/zinc/52/99/44/478529944.db2.gz TYXPAQUJKDAQGB-UHFFFAOYSA-N 0 0 327.406 2.579 10 5 EFBERN CC(C)CCN(C1CCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752974 478530162 /nfs/dbraw/zinc/53/01/62/478530162.db2.gz ZCBLMRTVWCWHRV-UHFFFAOYSA-N 0 0 341.433 2.969 10 5 EFBERN CC1(C)CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000594750230 478530405 /nfs/dbraw/zinc/53/04/05/478530405.db2.gz FIXKTZYFLAWTLV-AWEZNQCLSA-N 0 0 347.396 2.762 10 5 EFBERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594751872 478530647 /nfs/dbraw/zinc/53/06/47/478530647.db2.gz FPBJOMVVYXJNOA-NSHDSACASA-N 0 0 327.406 2.579 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000594753387 478531341 /nfs/dbraw/zinc/53/13/41/478531341.db2.gz KINRGRCHKAZSSB-OAHLLOKOSA-N 0 0 337.401 2.501 10 5 EFBERN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000594754693 478531505 /nfs/dbraw/zinc/53/15/05/478531505.db2.gz BMPCZEKLFTXLGV-VIFPVBQESA-N 0 0 340.323 2.603 10 5 EFBERN CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753993 478531647 /nfs/dbraw/zinc/53/16/47/478531647.db2.gz NNOAFECOWBQUPH-NWDGAFQWSA-N 0 0 327.406 2.579 10 5 EFBERN C[C@H](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000600816151 478531807 /nfs/dbraw/zinc/53/18/07/478531807.db2.gz DSLMHKNCTZFLDD-SSDOTTSWSA-N 0 0 343.265 2.907 10 5 EFBERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594758440 478532660 /nfs/dbraw/zinc/53/26/60/478532660.db2.gz RGJFQDRFUPZMMB-VXGBXAGGSA-N 0 0 349.412 2.952 10 5 EFBERN C[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594767635 478535996 /nfs/dbraw/zinc/53/59/96/478535996.db2.gz UOOPTXMFWFNOOE-IAQYHMDHSA-N 0 0 347.396 2.592 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CN(C)Cc3ccccc32)c1 ZINC000541117673 478537772 /nfs/dbraw/zinc/53/77/72/478537772.db2.gz WNAYZZLSHWYPBG-MRXNPFEDSA-N 0 0 341.367 2.980 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)COCC(F)(F)F)c1 ZINC000541115029 478538387 /nfs/dbraw/zinc/53/83/87/478538387.db2.gz LCCVINJEWBNNHT-MRVPVSSYSA-N 0 0 336.266 2.761 10 5 EFBERN C[C@@H]1C[C@@H](C(C)(C)C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779803 478538985 /nfs/dbraw/zinc/53/89/85/478538985.db2.gz SFHOHGRGXRJCQX-NEPJUHHUSA-N 0 0 341.433 2.825 10 5 EFBERN O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cn1 ZINC000582215756 478539645 /nfs/dbraw/zinc/53/96/45/478539645.db2.gz SWNBFDQGFNUMGT-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN O=C(N[C@@H](c1cccs1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000597853322 478540088 /nfs/dbraw/zinc/54/00/88/478540088.db2.gz STYJCUQOWAFHSI-AWEZNQCLSA-N 0 0 347.396 2.685 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H](C)c2ccccn2)c(C)cc1[N+](=O)[O-] ZINC000594796213 478543179 /nfs/dbraw/zinc/54/31/79/478543179.db2.gz QYWSNBKDSDMUBJ-ZDUSSCGKSA-N 0 0 349.412 2.689 10 5 EFBERN CCc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594797390 478544419 /nfs/dbraw/zinc/54/44/19/478544419.db2.gz VLQQHYLEYFDWTR-GFCCVEGCSA-N 0 0 349.412 2.634 10 5 EFBERN Nc1nccc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000571225080 478548356 /nfs/dbraw/zinc/54/83/56/478548356.db2.gz SHFURFXNXNYJTI-NSHDSACASA-N 0 0 346.774 2.685 10 5 EFBERN CCC(C)(C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000594812358 478548464 /nfs/dbraw/zinc/54/84/64/478548464.db2.gz BTPUUXZPPFKMKP-SNVBAGLBSA-N 0 0 330.406 2.706 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)c2ccccn2)c1 ZINC000597864850 478549900 /nfs/dbraw/zinc/54/99/00/478549900.db2.gz QAMNWJFNBMZXJJ-AWEZNQCLSA-N 0 0 343.383 2.987 10 5 EFBERN Cc1cn(C2CCOCC2)nc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600883299 478551703 /nfs/dbraw/zinc/55/17/03/478551703.db2.gz JJEPCSJBJQLIAE-UHFFFAOYSA-N 0 0 330.344 2.704 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cscn2)c1[N+](=O)[O-] ZINC000594819127 478551857 /nfs/dbraw/zinc/55/18/57/478551857.db2.gz TUZQAXPONRJPNN-JTQLQIEISA-N 0 0 341.414 2.708 10 5 EFBERN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000571256435 478551991 /nfs/dbraw/zinc/55/19/91/478551991.db2.gz WGPRHUPHJDBOFV-LPWJVIDDSA-N 0 0 345.399 2.841 10 5 EFBERN CCOC(=O)c1[nH]c(C)nc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000571256380 478552177 /nfs/dbraw/zinc/55/21/77/478552177.db2.gz HRENQMUBNOMPSD-UHFFFAOYSA-N 0 0 346.343 2.618 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000594830947 478553795 /nfs/dbraw/zinc/55/37/95/478553795.db2.gz BYTSKHFSUSJJOI-YVEFUNNKSA-N 0 0 346.408 2.743 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594834190 478556313 /nfs/dbraw/zinc/55/63/13/478556313.db2.gz RYLJVQBZRPMSOH-SMDDNHRTSA-N 0 0 332.381 2.602 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cncc2c1CCCC2 ZINC000597874656 478556492 /nfs/dbraw/zinc/55/64/92/478556492.db2.gz OXHZAKXEAMENQX-UHFFFAOYSA-N 0 0 327.340 2.886 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594836159 478557738 /nfs/dbraw/zinc/55/77/38/478557738.db2.gz YZBJNEJQIZVLRL-MEDUHNTESA-N 0 0 332.381 2.602 10 5 EFBERN COC[C@@H](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)OC ZINC000597889121 478560419 /nfs/dbraw/zinc/56/04/19/478560419.db2.gz ZIKZGRISPOILJB-CYBMUJFWSA-N 0 0 338.404 2.674 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000594856104 478561208 /nfs/dbraw/zinc/56/12/08/478561208.db2.gz JSSXJOWFPYANKC-LBPRGKRZSA-N 0 0 330.381 2.664 10 5 EFBERN Cc1cc(S(=O)(=O)NCC[C@@]2(C)CC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000594856475 478561922 /nfs/dbraw/zinc/56/19/22/478561922.db2.gz GLAGLCILNIRGEK-ZDUSSCGKSA-N 0 0 348.371 2.925 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@]2(C)CC2(F)F)c1 ZINC000594858549 478562809 /nfs/dbraw/zinc/56/28/09/478562809.db2.gz SPNZKUONHGHVNM-GFCCVEGCSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc(S(=O)(=O)NCC[C@]2(C)CC2(F)F)ccc1[N+](=O)[O-] ZINC000594857421 478563604 /nfs/dbraw/zinc/56/36/04/478563604.db2.gz LODQSXWFVIFFIU-GFCCVEGCSA-N 0 0 334.344 2.617 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594859293 478564947 /nfs/dbraw/zinc/56/49/47/478564947.db2.gz YQHPXSVJLMZTIP-GFCCVEGCSA-N 0 0 330.381 2.664 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](CCF)C2)c1 ZINC000594859258 478564848 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CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C1CCC1 ZINC000597920977 478575340 /nfs/dbraw/zinc/57/53/40/478575340.db2.gz UVGZKKFOLJHDAP-CQSZACIVSA-N 0 0 338.429 2.988 10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000597920837 478575609 /nfs/dbraw/zinc/57/56/09/478575609.db2.gz CQKIMIVGOYXWMY-GOSISDBHSA-N 0 0 343.383 2.646 10 5 EFBERN O=C(N[C@@H](CO)C1CCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597922284 478576226 /nfs/dbraw/zinc/57/62/26/478576226.db2.gz NUEZNMMJTIRXFO-ZDUSSCGKSA-N 0 0 347.396 2.609 10 5 EFBERN O=C(N[C@H](CO)C1CCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597922173 478576244 /nfs/dbraw/zinc/57/62/44/478576244.db2.gz XKCYRYATWIYKCX-OAHLLOKOSA-N 0 0 341.367 2.548 10 5 EFBERN CO[C@@H](Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O)C1CCC1 ZINC000594896370 478576971 /nfs/dbraw/zinc/57/69/71/478576971.db2.gz WHYMRPSMVDXLSC-NSHDSACASA-N 0 0 345.193 2.643 10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000597923927 478577732 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10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000597925968 478580774 /nfs/dbraw/zinc/58/07/74/478580774.db2.gz YRKYOZMKEJLXOQ-QGZVFWFLSA-N 0 0 329.356 2.717 10 5 EFBERN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2n[nH]cc2[N+](=O)[O-])CO1 ZINC000597933923 478583898 /nfs/dbraw/zinc/58/38/98/478583898.db2.gz DVSRUIZTMUYNLF-ZDUSSCGKSA-N 0 0 344.371 2.528 10 5 EFBERN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])n[nH]2)CO1 ZINC000597933656 478584095 /nfs/dbraw/zinc/58/40/95/478584095.db2.gz AJFPWAIDNPIXTB-CYBMUJFWSA-N 0 0 344.371 2.528 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ncnn21 ZINC000597936314 478584517 /nfs/dbraw/zinc/58/45/17/478584517.db2.gz NOTFPMSOVNUAEV-LDYMZIIASA-N 0 0 343.368 2.837 10 5 EFBERN CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000600957412 478584731 /nfs/dbraw/zinc/58/47/31/478584731.db2.gz GQCVKPPXYGBYEH-HNNXBMFYSA-N 0 0 335.404 2.718 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000597938269 478586415 /nfs/dbraw/zinc/58/64/15/478586415.db2.gz WHRUUONNTPAWAO-JOYOIKCWSA-N 0 0 347.400 2.734 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccnc1N1CCCC1 ZINC000597940306 478588082 /nfs/dbraw/zinc/58/80/82/478588082.db2.gz IFUGNRFEBMNIEF-UHFFFAOYSA-N 0 0 340.383 2.828 10 5 EFBERN CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCc2ccccc21 ZINC000597945735 478590712 /nfs/dbraw/zinc/59/07/12/478590712.db2.gz WAMVZIMYXKDAIW-UHFFFAOYSA-N 0 0 341.367 2.672 10 5 EFBERN C[C@@H]1C[C@@H](n2cc(COc3ccc([N+](=O)[O-])cc3)nn2)C[C@H](C)O1 ZINC000600974438 478592463 /nfs/dbraw/zinc/59/24/63/478592463.db2.gz YVBHRVHKYUYHNJ-JJLQDPRZSA-N 0 0 332.360 2.894 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000597951905 478593225 /nfs/dbraw/zinc/59/32/25/478593225.db2.gz NMNVPZYRICFRJO-LBPRGKRZSA-N 0 0 335.404 2.574 10 5 EFBERN CNc1nccc(C(=O)N2CCCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000597955446 478594156 /nfs/dbraw/zinc/59/41/56/478594156.db2.gz PMJGTXXFCMLCTP-UHFFFAOYSA-N 0 0 332.404 2.640 10 5 EFBERN C[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000541847490 478595164 /nfs/dbraw/zinc/59/51/64/478595164.db2.gz LKZCVGJXSVFUER-DYVFJYSZSA-N 0 0 348.424 2.707 10 5 EFBERN COC(=O)c1cc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)c(C)o1 ZINC000541859174 478599141 /nfs/dbraw/zinc/59/91/41/478599141.db2.gz CUYSTHCFCBWREP-UHFFFAOYSA-N 0 0 329.312 2.989 10 5 EFBERN CCOc1ccc(C(=O)NCCc2cnccc2C)cc1[N+](=O)[O-] ZINC000597977693 478603073 /nfs/dbraw/zinc/60/30/73/478603073.db2.gz KHRJGHWZVVKJOF-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\[C@H]3CCCO3)n2)c1 ZINC000591664315 478604790 /nfs/dbraw/zinc/60/47/90/478604790.db2.gz IBOZFNJIOQEHRX-SMYYYNMVSA-N 0 0 331.328 2.769 10 5 EFBERN COC(=O)CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000598007469 478614976 /nfs/dbraw/zinc/61/49/76/478614976.db2.gz BDPBYROIWDSZLV-UHFFFAOYSA-N 0 0 326.374 2.604 10 5 EFBERN CCOc1ccc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])nc1C ZINC000594999850 478623865 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EFBERN C[C@H]1COC2(CCC2)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000598047988 478633074 /nfs/dbraw/zinc/63/30/74/478633074.db2.gz MTSKEVRETWEKDY-AWEZNQCLSA-N 0 0 347.415 2.957 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000598056145 478637392 /nfs/dbraw/zinc/63/73/92/478637392.db2.gz WSGXWGRKZGYVCO-CYBMUJFWSA-N 0 0 334.372 2.534 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598059994 478638827 /nfs/dbraw/zinc/63/88/27/478638827.db2.gz KJZDHRBSKMQEEI-MGCOHNPYSA-N 0 0 343.177 2.655 10 5 EFBERN CC(C)[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000598062678 478640261 /nfs/dbraw/zinc/64/02/61/478640261.db2.gz YQQAKQOWTWXELR-MRXNPFEDSA-N 0 0 334.351 2.834 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598061872 478640426 /nfs/dbraw/zinc/64/04/26/478640426.db2.gz PLFGBBWHYMBMDK-UHFFFAOYSA-N 0 0 348.399 2.557 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000598061858 478640431 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CO[C@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1(C)C ZINC000601171597 478704673 /nfs/dbraw/zinc/70/46/73/478704673.db2.gz OZHUJFMUWWUSGK-QMMMGPOBSA-N 0 0 336.314 2.598 10 5 EFBERN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1csc([N+](=O)[O-])c1 ZINC000598208137 478704677 /nfs/dbraw/zinc/70/46/77/478704677.db2.gz LZCDWSYCTAVHEH-JSGCOSHPSA-N 0 0 332.381 2.959 10 5 EFBERN CCn1cc(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000601173809 478705522 /nfs/dbraw/zinc/70/55/22/478705522.db2.gz IITIKCDYGSZEEO-UHFFFAOYSA-N 0 0 342.399 2.892 10 5 EFBERN COC(=O)c1cc(C(=O)NCC[C@@]2(C)CC2(F)F)cc([N+](=O)[O-])c1 ZINC000598214415 478707349 /nfs/dbraw/zinc/70/73/49/478707349.db2.gz DPPDHWSATGJLGV-AWEZNQCLSA-N 0 0 342.298 2.547 10 5 EFBERN C[C@H]1CCC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)O1 ZINC000598213979 478707388 /nfs/dbraw/zinc/70/73/88/478707388.db2.gz RJIOZWMFKVUROX-FZMZJTMJSA-N 0 0 331.372 2.692 10 5 EFBERN CCn1cc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cn1 ZINC000601177914 478708634 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COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2nc3ccccc3[nH]2)c1 ZINC000542970736 478711736 /nfs/dbraw/zinc/71/17/36/478711736.db2.gz TZILOWVMIPJYLE-UHFFFAOYSA-N 0 0 340.339 2.894 10 5 EFBERN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC2(CCCC2)O1 ZINC000601185780 478712224 /nfs/dbraw/zinc/71/22/24/478712224.db2.gz UKCHETJNYSMRKO-SECBINFHSA-N 0 0 348.325 2.885 10 5 EFBERN COc1ccnc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1F ZINC000598221626 478712584 /nfs/dbraw/zinc/71/25/84/478712584.db2.gz RNNLLVLRQPKVEV-QWHCGFSZSA-N 0 0 345.330 2.557 10 5 EFBERN COc1ccc(CC(=O)NCC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000598222106 478713513 /nfs/dbraw/zinc/71/35/13/478713513.db2.gz YLEUXWJSOZRPFY-CQSZACIVSA-N 0 0 328.315 2.698 10 5 EFBERN C[C@@]12COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598223993 478714107 /nfs/dbraw/zinc/71/41/07/478714107.db2.gz JOVKLISHGOOPGX-IINYFYTJSA-N 0 0 344.289 2.722 10 5 EFBERN COc1cccc([C@@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000598224270 478714177 /nfs/dbraw/zinc/71/41/77/478714177.db2.gz JNEUCNKXUUVPIW-SFHVURJKSA-N 0 0 341.367 2.802 10 5 EFBERN C[C@]12COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000598222890 478714535 /nfs/dbraw/zinc/71/45/35/478714535.db2.gz DKFVTUGGQHMWOY-XPTSAGLGSA-N 0 0 344.289 2.722 10 5 EFBERN C[C@@]12COC[C@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598223994 478714865 /nfs/dbraw/zinc/71/48/65/478714865.db2.gz JOVKLISHGOOPGX-QMTHXVAHSA-N 0 0 344.289 2.722 10 5 EFBERN CC[C@@H](COCC1CC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601191157 478715490 /nfs/dbraw/zinc/71/54/90/478715490.db2.gz IRYMJKUDCYVGJH-VIFPVBQESA-N 0 0 336.314 2.964 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H]2c2cccnc2)c1 ZINC000601191463 478715576 /nfs/dbraw/zinc/71/55/76/478715576.db2.gz JMXDRWSJBBRWBF-KBPBESRZSA-N 0 0 327.340 2.992 10 5 EFBERN C[C@@]12COC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000598228938 478716622 /nfs/dbraw/zinc/71/66/22/478716622.db2.gz QTVJOEZDDVBISH-BXUZGUMPSA-N 0 0 344.289 2.722 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598230047 478716903 /nfs/dbraw/zinc/71/69/03/478716903.db2.gz NXQZFJRNTVBYAX-QGZVFWFLSA-N 0 0 344.342 2.877 10 5 EFBERN Cc1csc(CC2(O)CCN(c3sccc3[N+](=O)[O-])CC2)n1 ZINC000601194217 478717420 /nfs/dbraw/zinc/71/74/20/478717420.db2.gz GPPOCIWJSMZPEY-UHFFFAOYSA-N 0 0 339.442 2.995 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000598231171 478717875 /nfs/dbraw/zinc/71/78/75/478717875.db2.gz ODLKBNCCWPPVMD-OZVIIMIRSA-N 0 0 336.413 2.570 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598231043 478718479 /nfs/dbraw/zinc/71/84/79/478718479.db2.gz RXNKIUWVYZFVFD-QGZVFWFLSA-N 0 0 344.342 2.877 10 5 EFBERN C[C@@H](O)[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccc1 ZINC000601198817 478718603 /nfs/dbraw/zinc/71/86/03/478718603.db2.gz IKLHGURNTKBXOP-PSASIEDQSA-N 0 0 344.293 2.881 10 5 EFBERN CC1CCC(O)(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601198796 478718628 /nfs/dbraw/zinc/71/86/28/478718628.db2.gz HGXTVUGMQVGAPD-UHFFFAOYSA-N 0 0 336.314 2.700 10 5 EFBERN Cc1c(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000598238056 478720624 /nfs/dbraw/zinc/72/06/24/478720624.db2.gz BFHXHRDVSPNOQA-GOEBONIOSA-N 0 0 342.399 2.778 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000598237965 478720852 /nfs/dbraw/zinc/72/08/52/478720852.db2.gz PRLYJBISKCNBBA-WMLDXEAASA-N 0 0 342.399 2.778 10 5 EFBERN Cc1c(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000571985235 478721954 /nfs/dbraw/zinc/72/19/54/478721954.db2.gz QBSXTDNORNOJHZ-GFCCVEGCSA-N 0 0 345.403 2.848 10 5 EFBERN COC(=O)c1occc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598242828 478723036 /nfs/dbraw/zinc/72/30/36/478723036.db2.gz UQRYCHCZCQTPLV-UHFFFAOYSA-N 0 0 346.339 2.568 10 5 EFBERN COCc1ncc2c(n1)CCN(c1cc(C)c([N+](=O)[O-])cc1F)C2 ZINC000601209177 478724058 /nfs/dbraw/zinc/72/40/58/478724058.db2.gz XRFOOADTJBNGKI-UHFFFAOYSA-N 0 0 332.335 2.541 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCOC[C@@H]1CC1CCC1 ZINC000571992240 478724061 /nfs/dbraw/zinc/72/40/61/478724061.db2.gz WOEJSHNNYUPLJP-INIZCTEOSA-N 0 0 333.388 2.695 10 5 EFBERN CCOc1cc(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000601210038 478725024 /nfs/dbraw/zinc/72/50/24/478725024.db2.gz JZPRKFVFTZXSKO-SJLPKXTDSA-N 0 0 344.367 2.622 10 5 EFBERN CCOc1cccc(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000601210948 478725334 /nfs/dbraw/zinc/72/53/34/478725334.db2.gz XAESBPNCCMKNSG-NVXWUHKLSA-N 0 0 344.367 2.622 10 5 EFBERN C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)Cn1ccnc1 ZINC000601210176 478725492 /nfs/dbraw/zinc/72/54/92/478725492.db2.gz MPJHHVMOSBYPFD-CQSZACIVSA-N 0 0 342.399 2.666 10 5 EFBERN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000601214181 478725977 /nfs/dbraw/zinc/72/59/77/478725977.db2.gz SIJCQRIETVMBCN-HZSPNIEDSA-N 0 0 335.404 2.635 10 5 EFBERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000601212707 478726846 /nfs/dbraw/zinc/72/68/46/478726846.db2.gz QNPJQLLQAVPEKB-LBPRGKRZSA-N 0 0 346.362 2.799 10 5 EFBERN Nc1ccc(N2CCC(Oc3ccccc3F)CC2)nc1[N+](=O)[O-] ZINC000601215848 478727864 /nfs/dbraw/zinc/72/78/64/478727864.db2.gz CBVHNVHZJYOICE-UHFFFAOYSA-N 0 0 332.335 2.759 10 5 EFBERN Cn1cnc(CCCNc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000591966861 478728106 /nfs/dbraw/zinc/72/81/06/478728106.db2.gz IQDNDVOQMGEWQJ-UHFFFAOYSA-N 0 0 340.181 2.531 10 5 EFBERN O=C(NC[C@H]1CCCC[C@@H]1O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601219867 478730682 /nfs/dbraw/zinc/73/06/82/478730682.db2.gz YQGPCJKGEQGCSJ-CJNGLKHVSA-N 0 0 332.400 2.684 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1NCC[C@@H](O)C(F)F ZINC000601223233 478731640 /nfs/dbraw/zinc/73/16/40/478731640.db2.gz ZOZUAQWZWHKLJV-SECBINFHSA-N 0 0 325.109 2.785 10 5 EFBERN O=C(NC[C@H]1CCC[C@H](O)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601223894 478731783 /nfs/dbraw/zinc/73/17/83/478731783.db2.gz RXTCOGJPBPGJKO-BBRMVZONSA-N 0 0 332.400 2.684 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc(NCC[C@@H](O)C(F)F)n2)cc1 ZINC000601222483 478732417 /nfs/dbraw/zinc/73/24/17/478732417.db2.gz MABITDCFDBHQIK-LLVKDONJSA-N 0 0 329.328 2.568 10 5 EFBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H](C)O1 ZINC000601224539 478733354 /nfs/dbraw/zinc/73/33/54/478733354.db2.gz GXZCULXGKZUXOA-JMSVASOKSA-N 0 0 333.388 2.809 10 5 EFBERN Cc1noc(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595325406 478733371 /nfs/dbraw/zinc/73/33/71/478733371.db2.gz ICWUWVPKSDPJHR-IINYFYTJSA-N 0 0 335.335 2.992 10 5 EFBERN Cc1cc(=NC(=O)NCc2cccc([N+](=O)[O-])c2)[nH]n1[C@@H](C)C1CC1 ZINC000543318086 478733404 /nfs/dbraw/zinc/73/34/04/478733404.db2.gz QWSTYJIMIAYULX-LBPRGKRZSA-N 0 0 343.387 2.814 10 5 EFBERN O=[N+]([O-])c1cccnc1NCCC1(O)CCN(c2ccccc2)CC1 ZINC000601224018 478733575 /nfs/dbraw/zinc/73/35/75/478733575.db2.gz WQLGGTPHNZMDAO-UHFFFAOYSA-N 0 0 342.399 2.823 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)nc1 ZINC000601226994 478734450 /nfs/dbraw/zinc/73/44/50/478734450.db2.gz XFFQGSWUBKTEPK-YNEHKIRRSA-N 0 0 347.172 2.898 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H]2C[C@@H](OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000591987334 478735864 /nfs/dbraw/zinc/73/58/64/478735864.db2.gz IQOVDSKEYWZLGQ-PHIMTYICSA-N 0 0 337.376 2.925 10 5 EFBERN COC(=O)c1cccc2c1CN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000591989185 478737042 /nfs/dbraw/zinc/73/70/42/478737042.db2.gz PYFDNFCFQYTNDJ-UHFFFAOYSA-N 0 0 347.758 2.993 10 5 EFBERN COC(=O)C[C@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000598272039 478737179 /nfs/dbraw/zinc/73/71/79/478737179.db2.gz HMTSAURCYOSDEZ-CQSZACIVSA-N 0 0 348.399 2.839 10 5 EFBERN CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCCCN(C)C1=O ZINC000601229625 478737183 /nfs/dbraw/zinc/73/71/83/478737183.db2.gz VQEXDDGJIFVTSU-LBPRGKRZSA-N 0 0 343.330 2.643 10 5 EFBERN CC1CC(n2nnc3c2CN(c2ncc([N+](=O)[O-])cc2Cl)CC3)C1 ZINC000601231491 478738297 /nfs/dbraw/zinc/73/82/97/478738297.db2.gz GNQJGYXMYBTAML-UHFFFAOYSA-N 0 0 348.794 2.768 10 5 EFBERN CC[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000601234587 478738375 /nfs/dbraw/zinc/73/83/75/478738375.db2.gz WOUCMNTUQOUGQQ-OAHLLOKOSA-N 0 0 342.779 2.776 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000591998174 478738812 /nfs/dbraw/zinc/73/88/12/478738812.db2.gz GZILGHASIPOFPV-GFCCVEGCSA-N 0 0 334.372 2.919 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601234977 478738950 /nfs/dbraw/zinc/73/89/50/478738950.db2.gz KNZSCOOVTYFRJC-GXSJLCMTSA-N 0 0 341.289 2.750 10 5 EFBERN CCOc1cccc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000601235500 478740241 /nfs/dbraw/zinc/74/02/41/478740241.db2.gz SZJYGYGICAYQID-VHSXEESVSA-N 0 0 334.294 2.601 10 5 EFBERN CC(C)Oc1nc(NCc2cccc3c2CCOC3)ccc1[N+](=O)[O-] ZINC000601239606 478741402 /nfs/dbraw/zinc/74/14/02/478741402.db2.gz PDCNRKFDFWFTTD-UHFFFAOYSA-N 0 0 343.383 2.884 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](C(F)F)CC1 ZINC000601239883 478741621 /nfs/dbraw/zinc/74/16/21/478741621.db2.gz OJFPIYTVOPMCDC-LLVKDONJSA-N 0 0 333.266 2.622 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc1 ZINC000592007755 478742020 /nfs/dbraw/zinc/74/20/20/478742020.db2.gz ZLVSTIGUVILFQE-GFCCVEGCSA-N 0 0 338.726 2.755 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)c1[N+](=O)[O-] ZINC000595350618 478742734 /nfs/dbraw/zinc/74/27/34/478742734.db2.gz GDWPRARDSKBNQB-SNVBAGLBSA-N 0 0 348.371 2.781 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)c1C ZINC000595350408 478743017 /nfs/dbraw/zinc/74/30/17/478743017.db2.gz CMIYYSFAUJXFKA-NSHDSACASA-N 0 0 348.371 2.781 10 5 EFBERN CNC(=O)c1ccc(N[C@H](C2CCC2)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000601250940 478746693 /nfs/dbraw/zinc/74/66/93/478746693.db2.gz PVBNHWVLWHDMMY-JKSUJKDBSA-N 0 0 333.388 2.714 10 5 EFBERN C[C@@H]1SCC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592024590 478747778 /nfs/dbraw/zinc/74/77/78/478747778.db2.gz PAHSCDSAYCAZHQ-IINYFYTJSA-N 0 0 348.428 2.812 10 5 EFBERN COC(=O)[C@](C)(CCF)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000598289165 478748093 /nfs/dbraw/zinc/74/80/93/478748093.db2.gz GLJRCUKQJWXPLE-INIZCTEOSA-N 0 0 340.351 2.739 10 5 EFBERN CC(NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000595363345 478748109 /nfs/dbraw/zinc/74/81/09/478748109.db2.gz BHZAQEVBEWYMKJ-UHFFFAOYSA-N 0 0 338.429 2.635 10 5 EFBERN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598296371 478750223 /nfs/dbraw/zinc/75/02/23/478750223.db2.gz OZBXKQNMLWAHJK-NWDGAFQWSA-N 0 0 344.289 2.647 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H](C2CCC2)C1 ZINC000595370363 478751602 /nfs/dbraw/zinc/75/16/02/478751602.db2.gz KSRLSJKDTZZCPJ-LBPRGKRZSA-N 0 0 342.392 2.935 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000598302941 478754252 /nfs/dbraw/zinc/75/42/52/478754252.db2.gz FZBONLHGLYLBSP-GJZGRUSLSA-N 0 0 332.400 2.926 10 5 EFBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 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CC(C)[C@@H](O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000598351289 478782974 /nfs/dbraw/zinc/78/29/74/478782974.db2.gz OBOZNLLFCIGMLU-IAGOWNOFSA-N 0 0 343.383 2.665 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000598354304 478784424 /nfs/dbraw/zinc/78/44/24/478784424.db2.gz RBEGKYGOTJTOSE-ZDUSSCGKSA-N 0 0 334.372 2.534 10 5 EFBERN Cn1cncc1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130737 478788845 /nfs/dbraw/zinc/78/88/45/478788845.db2.gz LKYAEQRBYFTLGV-JCNLHEQBSA-N 0 0 344.415 2.634 10 5 EFBERN C[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595445656 478789545 /nfs/dbraw/zinc/78/95/45/478789545.db2.gz FZIQFXDQWROILD-BMIGLBTASA-N 0 0 343.330 2.549 10 5 EFBERN Cc1cc(S(=O)(=O)NCCCOC2CCCC2)c([N+](=O)[O-])s1 ZINC000601326504 478789509 /nfs/dbraw/zinc/78/95/09/478789509.db2.gz OMMKQFXFQYOSPM-UHFFFAOYSA-N 0 0 348.446 2.592 10 5 EFBERN O=C(NCc1ccc(F)cn1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601330344 478790318 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Cc1ccc([C@@H](C)NS(=O)(=O)C[C@@H]2CCC2(F)F)cc1[N+](=O)[O-] ZINC000601363917 478804123 /nfs/dbraw/zinc/80/41/23/478804123.db2.gz AOTJSEAGDDISLG-PWSUYJOCSA-N 0 0 348.371 2.929 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](CCF)C1 ZINC000595470682 478804164 /nfs/dbraw/zinc/80/41/64/478804164.db2.gz OURREFFQZLSPRN-GFCCVEGCSA-N 0 0 339.367 2.885 10 5 EFBERN CNc1c(C(=O)N2CCC(c3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000598398087 478804825 /nfs/dbraw/zinc/80/48/25/478804825.db2.gz DTWFCLXQDMCNJN-UHFFFAOYSA-N 0 0 330.344 2.644 10 5 EFBERN Cc1ccc([C@H](C)NS(=O)(=O)C[C@@H]2CCC2(F)F)cc1[N+](=O)[O-] ZINC000601363916 478804914 /nfs/dbraw/zinc/80/49/14/478804914.db2.gz AOTJSEAGDDISLG-JQWIXIFHSA-N 0 0 348.371 2.929 10 5 EFBERN COc1cc(C(=O)N2CCC(c3ccon3)CC2)c([N+](=O)[O-])cc1F ZINC000598398101 478804912 /nfs/dbraw/zinc/80/49/12/478804912.db2.gz FFDCEVQWTLHNSM-UHFFFAOYSA-N 0 0 349.318 2.750 10 5 EFBERN CCN1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1C ZINC000601370172 478806391 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EFBERN Cn1nccc1[C@@H](NCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000592184859 478816709 /nfs/dbraw/zinc/81/67/09/478816709.db2.gz LWGNVJCRUYXVGG-OAHLLOKOSA-N 0 0 346.387 2.501 10 5 EFBERN CC(C)C1(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000601390712 478816936 /nfs/dbraw/zinc/81/69/36/478816936.db2.gz JRCVPGDPWXOZQB-UHFFFAOYSA-N 0 0 346.836 2.899 10 5 EFBERN Cc1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000598425684 478817275 /nfs/dbraw/zinc/81/72/75/478817275.db2.gz XKWFSBMSZFLOGA-UHFFFAOYSA-N 0 0 328.315 2.573 10 5 EFBERN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H](C)CN1C ZINC000601400328 478820406 /nfs/dbraw/zinc/82/04/06/478820406.db2.gz YLPGDCCGLWCKOY-KGLIPLIRSA-N 0 0 331.416 2.568 10 5 EFBERN C[C@H]1C[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601402435 478820462 /nfs/dbraw/zinc/82/04/62/478820462.db2.gz MTUGQBASDRKSRV-KBPBESRZSA-N 0 0 332.400 2.948 10 5 EFBERN O=C(N1CC2(C1)CCOCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601415519 478825913 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EFBERN CC1(C)OCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598454309 478832208 /nfs/dbraw/zinc/83/22/08/478832208.db2.gz MPKYTTKRGYPDKS-GFCCVEGCSA-N 0 0 331.372 2.550 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2COC[C@H]2C1 ZINC000595520938 478832904 /nfs/dbraw/zinc/83/29/04/478832904.db2.gz TVRYBWRCRHQWRY-JKSUJKDBSA-N 0 0 347.415 2.595 10 5 EFBERN CC(C)(C(=O)NC[C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000598454813 478833168 /nfs/dbraw/zinc/83/31/68/478833168.db2.gz PGCNHLYBBQCKLI-NSHDSACASA-N 0 0 338.379 2.943 10 5 EFBERN CC1(C)[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000595522022 478833440 /nfs/dbraw/zinc/83/34/40/478833440.db2.gz IBFHCAOORKKTCS-GFCCVEGCSA-N 0 0 327.331 2.728 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCOC2(C)C)c1 ZINC000598454317 478833650 /nfs/dbraw/zinc/83/36/50/478833650.db2.gz MUNHUVNZSSQERQ-CYBMUJFWSA-N 0 0 336.388 2.603 10 5 EFBERN Cc1nn(CCC(=O)NCC(F)(F)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000598464226 478835683 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CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598471484 478841473 /nfs/dbraw/zinc/84/14/73/478841473.db2.gz UCVDTIQNEGLIEX-LBPRGKRZSA-N 0 0 328.372 2.682 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601460735 478843588 /nfs/dbraw/zinc/84/35/88/478843588.db2.gz LFHAEXLNTDAUMX-MGCOHNPYSA-N 0 0 348.446 2.589 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000601460594 478843770 /nfs/dbraw/zinc/84/37/70/478843770.db2.gz JQCCXLMCWATAGB-GHMZBOCLSA-N 0 0 348.446 2.591 10 5 EFBERN C[C@H]1C(=O)N(C)CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000592257769 478844508 /nfs/dbraw/zinc/84/45/08/478844508.db2.gz IEOIHHIAMCLZPU-JTQLQIEISA-N 0 0 334.376 2.544 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595544256 478845210 /nfs/dbraw/zinc/84/52/10/478845210.db2.gz NODXQVWJRZGKHK-GVXVVHGQSA-N 0 0 344.375 2.561 10 5 EFBERN Cc1cccc2c1CCC[C@H]2NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598476565 478845339 /nfs/dbraw/zinc/84/53/39/478845339.db2.gz OGMTWBGQZJRGMM-MRXNPFEDSA-N 0 0 328.372 2.684 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OC[C@@H](O)COc2ccc(C)cc2)c1 ZINC000572483708 478847473 /nfs/dbraw/zinc/84/74/73/478847473.db2.gz NZAGBMLXBUZSTM-ZDUSSCGKSA-N 0 0 333.340 2.731 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccsc2)c([N+](=O)[O-])s1 ZINC000601475276 478848132 /nfs/dbraw/zinc/84/81/32/478848132.db2.gz XWQCLMGWMJHAOP-VHSXEESVSA-N 0 0 344.439 2.861 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCCC12CC2 ZINC000601481430 478850667 /nfs/dbraw/zinc/85/06/67/478850667.db2.gz FVIATSGGJHYONX-NSHDSACASA-N 0 0 330.793 2.859 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCN(Cc3ccco3)CC1)CCCC2 ZINC000564892904 478851001 /nfs/dbraw/zinc/85/10/01/478851001.db2.gz OOHMFIRQLICXOE-UHFFFAOYSA-N 0 0 342.399 2.784 10 5 EFBERN Cc1cccn2cc(Cc3noc(-c4ccc([N+](=O)[O-])cn4)n3)nc12 ZINC000544599775 478851153 /nfs/dbraw/zinc/85/11/53/478851153.db2.gz XXSQAAUNAPRJGP-UHFFFAOYSA-N 0 0 336.311 2.587 10 5 EFBERN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000598484861 478853367 /nfs/dbraw/zinc/85/33/67/478853367.db2.gz QQZZFZWSCWUGHT-DOMZBBRYSA-N 0 0 340.401 2.816 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000595559226 478854055 /nfs/dbraw/zinc/85/40/55/478854055.db2.gz LUNBEPBNYAFOHX-GWCFXTLKSA-N 0 0 336.285 2.869 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](C)CC(F)F ZINC000592297698 478855951 /nfs/dbraw/zinc/85/59/51/478855951.db2.gz YZGFMARVQAMMPY-QMMMGPOBSA-N 0 0 343.330 2.558 10 5 EFBERN C[C@@H](CC1CCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000601511962 478859508 /nfs/dbraw/zinc/85/95/08/478859508.db2.gz OEWMZOZBUTZSOJ-LBPRGKRZSA-N 0 0 326.418 2.635 10 5 EFBERN CO[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1C ZINC000601513883 478860873 /nfs/dbraw/zinc/86/08/73/478860873.db2.gz HFDUJJKIDSEZOH-CJNGLKHVSA-N 0 0 332.400 2.900 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](C3CCC3)CC2)nc1 ZINC000601519536 478862008 /nfs/dbraw/zinc/86/20/08/478862008.db2.gz BOLLUNWWNODFPT-CYBMUJFWSA-N 0 0 339.417 2.581 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595572240 478862155 /nfs/dbraw/zinc/86/21/55/478862155.db2.gz BCMXJDZLTMFWAP-CQSZACIVSA-N 0 0 347.415 2.880 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC000601521907 478863280 /nfs/dbraw/zinc/86/32/80/478863280.db2.gz UZARBJVKYQRDCA-CYBMUJFWSA-N 0 0 339.417 2.581 10 5 EFBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@H](C2CCC2)CC1 ZINC000601521903 478863358 /nfs/dbraw/zinc/86/33/58/478863358.db2.gz USWHMOLJFPSNEG-ZDUSSCGKSA-N 0 0 339.417 2.581 10 5 EFBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCC[C@@H]1CCOC1 ZINC000592348750 478863929 /nfs/dbraw/zinc/86/39/29/478863929.db2.gz YIPLFXKRTLXFMD-LLVKDONJSA-N 0 0 349.412 2.751 10 5 EFBERN C[C@H]1[C@@H](CO)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505387891 478867145 /nfs/dbraw/zinc/86/71/45/478867145.db2.gz IZJMHSFYTVTXRO-CMPLNLGQSA-N 0 0 347.396 2.561 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1-c1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000544799038 478867238 /nfs/dbraw/zinc/86/72/38/478867238.db2.gz DVPILAWJYCOYDU-UHFFFAOYSA-N 0 0 336.311 2.836 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000598507328 478868042 /nfs/dbraw/zinc/86/80/42/478868042.db2.gz KXUASIUIIDHXIP-CABZTGNLSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](CC(F)(F)F)O1 ZINC000598506981 478868563 /nfs/dbraw/zinc/86/85/63/478868563.db2.gz IQUFSNPXPRYLBV-SFYZADRCSA-N 0 0 338.307 2.838 10 5 EFBERN Cc1sc(C(=O)NC[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598510310 478870997 /nfs/dbraw/zinc/87/09/97/478870997.db2.gz OXNLTJKKSGCVAC-CQSZACIVSA-N 0 0 345.424 2.969 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598510964 478871327 /nfs/dbraw/zinc/87/13/27/478871327.db2.gz MWLRINDDUPZHGT-NSHDSACASA-N 0 0 332.278 2.697 10 5 EFBERN Cc1c(CNC(=O)N2CC3(CCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595587556 478871988 /nfs/dbraw/zinc/87/19/88/478871988.db2.gz IBBOABYTNPYPAP-LBPRGKRZSA-N 0 0 333.388 2.756 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598512088 478872196 /nfs/dbraw/zinc/87/21/96/478872196.db2.gz RASSRGXTDSWESG-SECBINFHSA-N 0 0 336.241 2.527 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598512485 478872650 /nfs/dbraw/zinc/87/26/50/478872650.db2.gz TYAKGZKBSRGBAA-ZDUSSCGKSA-N 0 0 346.305 2.707 10 5 EFBERN COc1cc(CNc2n[nH]c(C(C)C)c2C)c([N+](=O)[O-])cc1OC ZINC000592375448 478873141 /nfs/dbraw/zinc/87/31/41/478873141.db2.gz STZWGFUWFVEGNH-UHFFFAOYSA-N 0 0 334.376 2.801 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000601560546 478879795 /nfs/dbraw/zinc/87/97/95/478879795.db2.gz NLDMVHHJQYNHCY-DLBZAZTESA-N 0 0 332.400 2.658 10 5 EFBERN O=C(CCC1(O)CCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000601561718 478879830 /nfs/dbraw/zinc/87/98/30/478879830.db2.gz BNDKPFSPEWHDGC-UHFFFAOYSA-N 0 0 343.177 2.991 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000598538481 478884700 /nfs/dbraw/zinc/88/47/00/478884700.db2.gz DVTQAUVEKVBQHI-SJKOYZFVSA-N 0 0 344.367 2.845 10 5 EFBERN COc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)O)cc([N+](=O)[O-])c1C ZINC000598539578 478885436 /nfs/dbraw/zinc/88/54/36/478885436.db2.gz LPLSSNZXIUYEGA-PXAZEXFGSA-N 0 0 344.367 2.764 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598538706 478886211 /nfs/dbraw/zinc/88/62/11/478886211.db2.gz FVQKEIFQMSPBMA-ACJLOTCBSA-N 0 0 344.367 2.602 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598541384 478886669 /nfs/dbraw/zinc/88/66/69/478886669.db2.gz IJSXHEJYZRISKZ-CALCHBBNSA-N 0 0 334.347 2.767 10 5 EFBERN C[C@H]1COCC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601575996 478887480 /nfs/dbraw/zinc/88/74/80/478887480.db2.gz JCZPIUNRWZNJAN-UONOGXRCSA-N 0 0 332.400 2.805 10 5 EFBERN C[C@H]1COCC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601575991 478887494 /nfs/dbraw/zinc/88/74/94/478887494.db2.gz JCZPIUNRWZNJAN-KBPBESRZSA-N 0 0 332.400 2.805 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598541895 478887506 /nfs/dbraw/zinc/88/75/06/478887506.db2.gz XCVUOZAZDSIIRD-QRVDHSFSSA-N 0 0 340.379 2.937 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598541894 478887835 /nfs/dbraw/zinc/88/78/35/478887835.db2.gz XCVUOZAZDSIIRD-IUHNQTRMSA-N 0 0 340.379 2.937 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598543203 478887972 /nfs/dbraw/zinc/88/79/72/478887972.db2.gz SQOSTGOQUVQZQF-CALCHBBNSA-N 0 0 334.347 2.767 10 5 EFBERN C[C@@H](c1nc(COC[C@H]2CCOC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000592418316 478889093 /nfs/dbraw/zinc/88/90/93/478889093.db2.gz FWDDPMBZNOBFMU-NEPJUHHUSA-N 0 0 333.344 2.683 10 5 EFBERN Cc1cc(-c2nc(Cc3nc(C4CC4)nn3C)no2)ccc1[N+](=O)[O-] ZINC000592415616 478889397 /nfs/dbraw/zinc/88/93/97/478889397.db2.gz ZKRKGPMBJVFAGN-UHFFFAOYSA-N 0 0 340.343 2.550 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598547090 478889463 /nfs/dbraw/zinc/88/94/63/478889463.db2.gz XKPPIFYIYKXWNL-HDICACEKSA-N 0 0 330.384 2.936 10 5 EFBERN C[C@H](c1nc(COC[C@H]2CCOC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000592418318 478889511 /nfs/dbraw/zinc/88/95/11/478889511.db2.gz FWDDPMBZNOBFMU-RYUDHWBXSA-N 0 0 333.344 2.683 10 5 EFBERN C[C@]1(C2CC2)CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000595618985 478893071 /nfs/dbraw/zinc/89/30/71/478893071.db2.gz XLKAFQOSEPYAAQ-QGZVFWFLSA-N 0 0 344.371 2.646 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601588456 478894336 /nfs/dbraw/zinc/89/43/36/478894336.db2.gz WOWLGBPMZRGJFD-IAGOWNOFSA-N 0 0 347.415 2.784 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000598561869 478896172 /nfs/dbraw/zinc/89/61/72/478896172.db2.gz BKKNCBMBXSKJSB-MEBBXXQBSA-N 0 0 328.315 2.788 10 5 EFBERN Cc1c(CC(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598563238 478897278 /nfs/dbraw/zinc/89/72/78/478897278.db2.gz GBTAZWXDCFOIDX-QFYYESIMSA-N 0 0 342.342 2.717 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598565626 478898613 /nfs/dbraw/zinc/89/86/13/478898613.db2.gz RQEICBHKQLBHDV-XLKFXECMSA-N 0 0 332.278 2.619 10 5 EFBERN C[C@]1(C2CC2)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000595626636 478899276 /nfs/dbraw/zinc/89/92/76/478899276.db2.gz TYJHQSMOZPYVJC-QGZVFWFLSA-N 0 0 344.371 2.646 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000598566502 478899755 /nfs/dbraw/zinc/89/97/55/478899755.db2.gz XYXWOVAYNTVAOV-BMIGLBTASA-N 0 0 328.315 2.788 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000598566504 478899798 /nfs/dbraw/zinc/89/97/98/478899798.db2.gz XYXWOVAYNTVAOV-MEBBXXQBSA-N 0 0 328.315 2.788 10 5 EFBERN CS(=O)(=O)c1cc(SCCC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000592456678 478900169 /nfs/dbraw/zinc/90/01/69/478900169.db2.gz BQKCEDSXQLNAMF-LLVKDONJSA-N 0 0 345.442 2.907 10 5 EFBERN COc1ccc(CSCC(=O)N2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000598568430 478901401 /nfs/dbraw/zinc/90/14/01/478901401.db2.gz TZFIYKOTMHABML-UHFFFAOYSA-N 0 0 336.413 2.848 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CCO1 ZINC000598570698 478901698 /nfs/dbraw/zinc/90/16/98/478901698.db2.gz GIZUYSGBEXCLLB-HNNXBMFYSA-N 0 0 339.298 2.572 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598570246 478901793 /nfs/dbraw/zinc/90/17/93/478901793.db2.gz CVBPOCCZETZPEU-ZENOOKHLSA-N 0 0 340.326 2.581 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CCO1 ZINC000598570469 478902098 /nfs/dbraw/zinc/90/20/98/478902098.db2.gz DUSMESCLFQUZBY-HNNXBMFYSA-N 0 0 339.298 2.572 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC2(CCC(O)CC2)CC1 ZINC000601610902 478905921 /nfs/dbraw/zinc/90/59/21/478905921.db2.gz SJODXTRBGQYFHY-UHFFFAOYSA-N 0 0 336.363 2.891 10 5 EFBERN COC(=O)c1ccnc(N[C@@H](C)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000598585839 478912945 /nfs/dbraw/zinc/91/29/45/478912945.db2.gz LALBDXOIJXIQDG-VIFPVBQESA-N 0 0 345.311 2.678 10 5 EFBERN COC(=O)c1ccnc(NC[C@H](C)N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000598588671 478914385 /nfs/dbraw/zinc/91/43/85/478914385.db2.gz AQXWUZIQLYEHLU-LBPRGKRZSA-N 0 0 344.371 2.713 10 5 EFBERN COC(=O)c1ccnc(NC[C@H](C)Oc2ccccc2C)c1[N+](=O)[O-] ZINC000598599180 478920782 /nfs/dbraw/zinc/92/07/82/478920782.db2.gz HHJYQTPOQWSLBE-LBPRGKRZSA-N 0 0 345.355 2.964 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2CCCO[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000598601910 478922321 /nfs/dbraw/zinc/92/23/21/478922321.db2.gz QIHBTMQIVUARIF-BXUZGUMPSA-N 0 0 337.376 2.640 10 5 EFBERN COC(=O)c1ccnc(N2CCc3c(F)cc(F)cc3C2)c1[N+](=O)[O-] ZINC000598610046 478925331 /nfs/dbraw/zinc/92/53/31/478925331.db2.gz WCAXIBGVSSINRB-UHFFFAOYSA-N 0 0 349.293 2.617 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598614333 478926766 /nfs/dbraw/zinc/92/67/66/478926766.db2.gz KRJNBWANQLFWJM-CYBMUJFWSA-N 0 0 346.355 2.631 10 5 EFBERN COC(=O)c1ccnc(NC[C@H](C)c2ncc(C)s2)c1[N+](=O)[O-] ZINC000598618690 478929506 /nfs/dbraw/zinc/92/95/06/478929506.db2.gz KEPINGQQRVFCLD-QMMMGPOBSA-N 0 0 336.373 2.757 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC(C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598619324 478929864 /nfs/dbraw/zinc/92/98/64/478929864.db2.gz NTCBDLLSABBJPR-UHFFFAOYSA-N 0 0 326.418 2.878 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@@H](C)c2cscn2)c(C)c1[N+](=O)[O-] ZINC000598620523 478930812 /nfs/dbraw/zinc/93/08/12/478930812.db2.gz YEUQXSVYDHSICE-JTQLQIEISA-N 0 0 341.414 2.708 10 5 EFBERN Cc1ccc(S(=O)(=O)NCC[C@H]2CC2(F)F)c(C)c1[N+](=O)[O-] ZINC000598625381 478931363 /nfs/dbraw/zinc/93/13/63/478931363.db2.gz PSKDIMULIHAOPI-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601658327 478932703 /nfs/dbraw/zinc/93/27/03/478932703.db2.gz LVJPZIPRRNPIBD-OAHLLOKOSA-N 0 0 341.367 2.775 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000601658965 478932754 /nfs/dbraw/zinc/93/27/54/478932754.db2.gz SJYJEUQACIIROM-INIZCTEOSA-N 0 0 325.368 2.939 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601657243 478933215 /nfs/dbraw/zinc/93/32/15/478933215.db2.gz HYNUNYZDMHAAAY-MRXNPFEDSA-N 0 0 325.368 2.939 10 5 EFBERN COC(=O)c1ccnc(N2CCC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000598632829 478933994 /nfs/dbraw/zinc/93/39/94/478933994.db2.gz FTYYHNHEBITJKY-GFCCVEGCSA-N 0 0 342.355 2.555 10 5 EFBERN C[C@H]1C(=O)N(C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000592530534 478935164 /nfs/dbraw/zinc/93/51/64/478935164.db2.gz YLWRRPUWXOQBFU-NSHDSACASA-N 0 0 331.397 2.943 10 5 EFBERN COC(=O)c1ccnc(N(C)C[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598634587 478935408 /nfs/dbraw/zinc/93/54/08/478935408.db2.gz OMOPGMPOTJOVNZ-CYBMUJFWSA-N 0 0 341.367 2.943 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595689589 478937493 /nfs/dbraw/zinc/93/74/93/478937493.db2.gz MWCYHNBCAPFKMR-INIZCTEOSA-N 0 0 349.431 2.984 10 5 EFBERN C[C@@]12COC[C@]1(C)CN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000595689526 478937805 /nfs/dbraw/zinc/93/78/05/478937805.db2.gz MJQRVWKKLAYWRW-CALCHBBNSA-N 0 0 344.371 2.503 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCn2nccc21 ZINC000601664558 478937909 /nfs/dbraw/zinc/93/79/09/478937909.db2.gz NEUSNAMPUDEXSI-HNNXBMFYSA-N 0 0 343.387 2.510 10 5 EFBERN O=C(NC1CC1)c1ccc(NCC[C@@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598639601 478939047 /nfs/dbraw/zinc/93/90/47/478939047.db2.gz UWQHAHNXNDXEIS-SNVBAGLBSA-N 0 0 325.315 2.944 10 5 EFBERN Cc1c(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000598643602 478940178 /nfs/dbraw/zinc/94/01/78/478940178.db2.gz FINFGUKSNLFSKC-MRXNPFEDSA-N 0 0 346.408 2.663 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H]2CC23CCSCC3)c1[N+](=O)[O-] ZINC000598641359 478940794 /nfs/dbraw/zinc/94/07/94/478940794.db2.gz SJWNKJCBGVVWEF-JTQLQIEISA-N 0 0 337.401 2.722 10 5 EFBERN O=C(N1CC[C@H]2COC[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601669850 478942207 /nfs/dbraw/zinc/94/22/07/478942207.db2.gz JPMAJOIXEKYQCZ-UONOGXRCSA-N 0 0 330.384 2.511 10 5 EFBERN O=C(NCC[C@H]1CCCOC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601678559 478946963 /nfs/dbraw/zinc/94/69/63/478946963.db2.gz CUDVZDKBWPSZHJ-CQSZACIVSA-N 0 0 332.400 2.949 10 5 EFBERN CC(C)(C)OC(=O)C(C)(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592576525 478946968 /nfs/dbraw/zinc/94/69/68/478946968.db2.gz UNXLQWIEQHULNW-UHFFFAOYSA-N 0 0 334.372 2.852 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592578711 478948457 /nfs/dbraw/zinc/94/84/57/478948457.db2.gz ABFFHRWQZGFWKY-UHFFFAOYSA-N 0 0 336.388 2.921 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1CC1(F)F ZINC000598656121 478949210 /nfs/dbraw/zinc/94/92/10/478949210.db2.gz DJEUNXCUTNLLJX-GFCCVEGCSA-N 0 0 327.331 2.824 10 5 EFBERN O=C(N1CCO[C@H](CCF)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601684752 478951027 /nfs/dbraw/zinc/95/10/27/478951027.db2.gz OFJOVOPYJIAFQV-OAHLLOKOSA-N 0 0 336.363 2.604 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(C2CCC2)nn1 ZINC000592585337 478951884 /nfs/dbraw/zinc/95/18/84/478951884.db2.gz IBBBXOXPLMOVQD-UHFFFAOYSA-N 0 0 343.387 2.962 10 5 EFBERN O=C(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CCCC1 ZINC000601686162 478952316 /nfs/dbraw/zinc/95/23/16/478952316.db2.gz UXSXQAFJUXWFLN-UHFFFAOYSA-N 0 0 330.384 2.892 10 5 EFBERN CC1CC(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000598667927 478953930 /nfs/dbraw/zinc/95/39/30/478953930.db2.gz IEPOUMUTZQMBAS-UHFFFAOYSA-N 0 0 347.415 2.993 10 5 EFBERN CSC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000601690232 478954778 /nfs/dbraw/zinc/95/47/78/478954778.db2.gz UMZRENLKWCHUMU-UHFFFAOYSA-N 0 0 330.356 2.770 10 5 EFBERN COc1ccc(CNC(=O)COCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000598669323 478955264 /nfs/dbraw/zinc/95/52/64/478955264.db2.gz HKDYUMIFRUTSOJ-UHFFFAOYSA-N 0 0 344.367 2.745 10 5 EFBERN O=C(c1cn(C2CCC2)nn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592613254 478963406 /nfs/dbraw/zinc/96/34/06/478963406.db2.gz PRISSICOQFEKLO-UHFFFAOYSA-N 0 0 341.371 2.716 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598677652 478965059 /nfs/dbraw/zinc/96/50/59/478965059.db2.gz QUMKVPDKAHMEIL-QGZVFWFLSA-N 0 0 346.408 2.663 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cn(C2CCC2)nn1 ZINC000592617436 478966237 /nfs/dbraw/zinc/96/62/37/478966237.db2.gz RVFJDLLUONJUFW-UHFFFAOYSA-N 0 0 349.778 2.537 10 5 EFBERN C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@H]1CCCO1 ZINC000598683084 478968514 /nfs/dbraw/zinc/96/85/14/478968514.db2.gz VSZZFGKCPAAGPH-IAQYHMDHSA-N 0 0 344.371 2.551 10 5 EFBERN C[C@@]12COC[C@H]1CN(Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000595759456 478979478 /nfs/dbraw/zinc/97/94/78/478979478.db2.gz QIHPJPOWUHOZOA-BXUZGUMPSA-N 0 0 341.205 2.826 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)O1 ZINC000601762126 478990005 /nfs/dbraw/zinc/99/00/05/478990005.db2.gz PXUOSBZAZXRSPA-LWINAJNOSA-N 0 0 343.177 2.653 10 5 EFBERN COc1cc(C(=O)NC[C@@H](C)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000592672926 478990940 /nfs/dbraw/zinc/99/09/40/478990940.db2.gz QBBAEOKHYVXSNG-QMMMGPOBSA-N 0 0 332.303 2.633 10 5 EFBERN C[C@@]1(CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000595776375 478991044 /nfs/dbraw/zinc/99/10/44/478991044.db2.gz AQOFOVVUIZWFKL-CQSZACIVSA-N 0 0 342.346 2.741 10 5 EFBERN O=C(NCC[C@H]1CSc2ccccc2O1)c1ccc([N+](=O)[O-])cn1 ZINC000592673420 478991212 /nfs/dbraw/zinc/99/12/12/478991212.db2.gz SGLFVXGVLKCCFQ-LBPRGKRZSA-N 0 0 345.380 2.663 10 5 EFBERN COc1ccccc1C1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592677085 478991981 /nfs/dbraw/zinc/99/19/81/478991981.db2.gz RWKCDTJEEDCBBY-UHFFFAOYSA-N 0 0 342.351 2.788 10 5 EFBERN COCC1(C2CC2)CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000601768583 478992294 /nfs/dbraw/zinc/99/22/94/478992294.db2.gz QIIBGIWMBJHLRG-UHFFFAOYSA-N 0 0 329.356 2.575 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(F)c3)CCC2)n1 ZINC000592676675 478992886 /nfs/dbraw/zinc/99/28/86/478992886.db2.gz PLSPVSJZBNUBFS-UHFFFAOYSA-N 0 0 332.335 2.760 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(C)CC1(F)F ZINC000595780882 478993339 /nfs/dbraw/zinc/99/33/39/478993339.db2.gz CPIZUPLKYMBBNL-CQSZACIVSA-N 0 0 327.331 2.824 10 5 EFBERN CCS(=O)(=O)N(Cc1cncs1)c1ccc([N+](=O)[O-])cc1C ZINC000598730104 478994156 /nfs/dbraw/zinc/99/41/56/478994156.db2.gz ZENXREAFQXGGMX-UHFFFAOYSA-N 0 0 341.414 2.716 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000592681818 478994956 /nfs/dbraw/zinc/99/49/56/478994956.db2.gz TXIFUTRUYDCYAC-QGZVFWFLSA-N 0 0 334.420 2.965 10 5 EFBERN O=C(N[C@@]12C[C@@H]1CCCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000601776101 478996108 /nfs/dbraw/zinc/99/61/08/478996108.db2.gz PWYAPWUFXVBXKQ-GUYCJALGSA-N 0 0 326.356 2.843 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000595783904 478996064 /nfs/dbraw/zinc/99/60/64/478996064.db2.gz CSRZURSJTZDXTQ-ZANVPECISA-N 0 0 334.294 2.755 10 5 EFBERN C[C@@H]1CCC[C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000595782798 478996073 /nfs/dbraw/zinc/99/60/73/478996073.db2.gz MGYPKIGOCYREMR-CJNGLKHVSA-N 0 0 335.404 2.736 10 5 EFBERN C[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000601776149 478996246 /nfs/dbraw/zinc/99/62/46/478996246.db2.gz HDDHOKDNGIXZJO-ZBEGNZNMSA-N 0 0 334.397 2.784 10 5 EFBERN C[C@](CO)(NC(=O)[C@@H]1C[C@@H]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601775571 478996257 /nfs/dbraw/zinc/99/62/57/478996257.db2.gz FXUHZXPDDDKVRF-JFIYKMOQSA-N 0 0 332.400 2.745 10 5 EFBERN CC(C)n1cccc1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601776997 478996944 /nfs/dbraw/zinc/99/69/44/478996944.db2.gz LAWCGXWDIAOHGG-KRWDZBQOSA-N 0 0 331.372 2.615 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000601777916 478998181 /nfs/dbraw/zinc/99/81/81/478998181.db2.gz MXSXRUIQQDIUGY-ZXTQRBJTSA-N 0 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CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000601836337 479030018 /nfs/dbraw/zinc/03/00/18/479030018.db2.gz MIXZBPCODGHANT-KRWDZBQOSA-N 0 0 330.388 2.716 10 5 EFBERN CO[C@H]1CC[C@H](C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000598804618 479030381 /nfs/dbraw/zinc/03/03/81/479030381.db2.gz ZQSHODYCECNVCQ-QWRGUYRKSA-N 0 0 336.344 2.510 10 5 EFBERN CO[C@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CCC1 ZINC000598803844 479030624 /nfs/dbraw/zinc/03/06/24/479030624.db2.gz QEQHPEIYCIRZBB-HNNXBMFYSA-N 0 0 336.344 2.510 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595849192 479031921 /nfs/dbraw/zinc/03/19/21/479031921.db2.gz DLHUIGBTKMCZKC-CYBMUJFWSA-N 0 0 339.823 2.985 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595851843 479033369 /nfs/dbraw/zinc/03/33/69/479033369.db2.gz VMCLEOVNDWWXAP-LLVKDONJSA-N 0 0 341.358 2.610 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595851904 479033811 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COC(=O)C1(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC2(CCC2)C1 ZINC000598829415 479043786 /nfs/dbraw/zinc/04/37/86/479043786.db2.gz XCRGLBUPMBEJFE-UHFFFAOYSA-N 0 0 332.356 2.965 10 5 EFBERN Cc1cc(NC(=O)[C@@]23C[C@@H]2COC3(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000598827981 479043844 /nfs/dbraw/zinc/04/38/44/479043844.db2.gz MDHUOWQGXKPIPG-ADLMAVQZSA-N 0 0 341.367 2.627 10 5 EFBERN Cc1cc(NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000598829208 479043932 /nfs/dbraw/zinc/04/39/32/479043932.db2.gz UQWDCKXIEZUFKA-IAGOWNOFSA-N 0 0 342.351 2.998 10 5 EFBERN Cc1sc(C(=O)NCc2cccc3c2CCOC3)cc1[N+](=O)[O-] ZINC000601857285 479044824 /nfs/dbraw/zinc/04/48/24/479044824.db2.gz VVJXWZSTGNPXJG-UHFFFAOYSA-N 0 0 332.381 2.967 10 5 EFBERN CCc1ccc(S(=O)(=O)N[C@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000573339088 479046255 /nfs/dbraw/zinc/04/62/55/479046255.db2.gz CZECLHJUKJIVFM-SECBINFHSA-N 0 0 341.414 2.653 10 5 EFBERN Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000601871418 479050494 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CNc1c(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601878442 479054171 /nfs/dbraw/zinc/05/41/71/479054171.db2.gz YCKVYQBKQIBBRY-GJZGRUSLSA-N 0 0 333.388 2.714 10 5 EFBERN COc1cc(CN2CCn3c(nnc3C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000595894947 479055668 /nfs/dbraw/zinc/05/56/68/479055668.db2.gz ZBNVDQBTAOIPGW-UHFFFAOYSA-N 0 0 345.403 2.508 10 5 EFBERN O=[N+]([O-])c1cccc(OCCN2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000595893368 479055837 /nfs/dbraw/zinc/05/58/37/479055837.db2.gz WGOOGKSBLARAKS-CYBMUJFWSA-N 0 0 334.294 2.627 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601883969 479055856 /nfs/dbraw/zinc/05/58/56/479055856.db2.gz JGEGAIDKNXZSQQ-CVEARBPZSA-N 0 0 334.372 2.681 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000595893411 479055989 /nfs/dbraw/zinc/05/59/89/479055989.db2.gz XCBPQEWVYPKSPG-GFCCVEGCSA-N 0 0 334.294 2.757 10 5 EFBERN Cn1c(C(=O)Nc2cccnc2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000598858489 479058881 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Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000598873293 479066950 /nfs/dbraw/zinc/06/69/50/479066950.db2.gz XQAJZFXZXDJCJR-GDBMZVCRSA-N 0 0 342.399 2.778 10 5 EFBERN C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584263927 479068872 /nfs/dbraw/zinc/06/88/72/479068872.db2.gz XAACSWGOZCHJKD-NHYWBVRUSA-N 0 0 343.383 2.740 10 5 EFBERN Cc1cccc(C2(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CCC2)c1 ZINC000592842300 479069759 /nfs/dbraw/zinc/06/97/59/479069759.db2.gz ZIZFPEYYZPDTMF-UHFFFAOYSA-N 0 0 327.340 2.813 10 5 EFBERN COc1ccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595914535 479070622 /nfs/dbraw/zinc/07/06/22/479070622.db2.gz HVSVXKQLEWXGBZ-BONVTDFDSA-N 0 0 330.331 2.848 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCc2ccnn2C)c1 ZINC000601919577 479070910 /nfs/dbraw/zinc/07/09/10/479070910.db2.gz NIKFVXLJTVKJBE-UHFFFAOYSA-N 0 0 335.385 2.591 10 5 EFBERN COCc1nc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)co1 ZINC000598882503 479071490 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EFBERN CCCC[C@@](C)(CO)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592855318 479074980 /nfs/dbraw/zinc/07/49/80/479074980.db2.gz SQZJXQMGJGUWDI-KRWDZBQOSA-N 0 0 347.371 2.520 10 5 EFBERN C[C@@H]1OCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1C(F)(F)F ZINC000598890534 479075171 /nfs/dbraw/zinc/07/51/71/479075171.db2.gz RTHMXXMVSOCINZ-CPCISQLKSA-N 0 0 336.241 2.526 10 5 EFBERN COc1cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921935 479075637 /nfs/dbraw/zinc/07/56/37/479075637.db2.gz ZKELOABQLJSCIX-BONVTDFDSA-N 0 0 330.331 2.848 10 5 EFBERN CC[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)OC ZINC000592863058 479076994 /nfs/dbraw/zinc/07/69/94/479076994.db2.gz BLQKNAWVEXQCQU-SECBINFHSA-N 0 0 336.369 2.739 10 5 EFBERN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC12CCC(CC1)CC2 ZINC000598902273 479079940 /nfs/dbraw/zinc/07/99/40/479079940.db2.gz CFMYRULJKUAXNA-UHFFFAOYSA-N 0 0 346.387 2.555 10 5 EFBERN CC[C@H]1CC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598902933 479081385 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COc1c(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596007954 479093944 /nfs/dbraw/zinc/09/39/44/479093944.db2.gz MTSKEJHZWATHRK-UHFFFAOYSA-N 0 0 344.371 2.551 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2n[nH]cc2C1 ZINC000596006324 479093961 /nfs/dbraw/zinc/09/39/61/479093961.db2.gz OAYJARGQKRSCCN-AWEZNQCLSA-N 0 0 342.399 2.862 10 5 EFBERN Cc1cc(S(=O)(=O)N(CC(F)(F)F)C(C)C)c([N+](=O)[O-])s1 ZINC000601958523 479095150 /nfs/dbraw/zinc/09/51/50/479095150.db2.gz BMBRFQOQHZMZHC-UHFFFAOYSA-N 0 0 346.352 2.926 10 5 EFBERN COC(=O)Cc1ccc(NC[C@@H]2CCc3cccnc32)c([N+](=O)[O-])c1 ZINC000598945201 479095549 /nfs/dbraw/zinc/09/55/49/479095549.db2.gz GSPHUDDMQZXREU-AWEZNQCLSA-N 0 0 341.367 2.847 10 5 EFBERN CCC(C)(C)OC1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000601961275 479096551 /nfs/dbraw/zinc/09/65/51/479096551.db2.gz VRMKWAVZZZDSBD-UHFFFAOYSA-N 0 0 335.404 2.813 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592901125 479097402 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Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972731 479112110 /nfs/dbraw/zinc/11/21/10/479112110.db2.gz UKTWOJKPFLKYDL-KRWDZBQOSA-N 0 0 333.388 2.524 10 5 EFBERN CN(CC(=O)NC(C)(C)C)c1c(Br)cccc1[N+](=O)[O-] ZINC000596061498 479115794 /nfs/dbraw/zinc/11/57/94/479115794.db2.gz KQYSSTNPCWNDRR-UHFFFAOYSA-N 0 0 344.209 2.708 10 5 EFBERN Cc1nn(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000593001159 479120332 /nfs/dbraw/zinc/12/03/32/479120332.db2.gz ZCVXAJQXCZHTOJ-LLVKDONJSA-N 0 0 345.277 2.558 10 5 EFBERN Cc1cc(N2CCC(c3nnc4n3CCC4)CC2)c([N+](=O)[O-])s1 ZINC000596082994 479127589 /nfs/dbraw/zinc/12/75/89/479127589.db2.gz WNGQFTYPRTVHSR-UHFFFAOYSA-N 0 0 333.417 2.886 10 5 EFBERN Cn1cnnc1C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599020608 479128946 /nfs/dbraw/zinc/12/89/46/479128946.db2.gz UFFCVWPBEQYGCB-UHFFFAOYSA-N 0 0 338.371 2.656 10 5 EFBERN COCCn1cc(Nc2cc(OC)c([N+](=O)[O-])cc2Cl)cn1 ZINC000596085236 479129475 /nfs/dbraw/zinc/12/94/75/479129475.db2.gz 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O=[N+]([O-])c1ccc(-c2nc(CN3CCC(C4(O)CC4)CC3)co2)cc1 ZINC000593049224 479143466 /nfs/dbraw/zinc/14/34/66/479143466.db2.gz INPMXECGXFEHMA-UHFFFAOYSA-N 0 0 343.383 2.987 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000596112889 479145165 /nfs/dbraw/zinc/14/51/65/479145165.db2.gz ICIVMIRJWFWXOB-SNVBAGLBSA-N 0 0 342.779 2.634 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000596112888 479145479 /nfs/dbraw/zinc/14/54/79/479145479.db2.gz ICIVMIRJWFWXOB-JTQLQIEISA-N 0 0 342.779 2.634 10 5 EFBERN NC(=O)CCC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599066369 479145586 /nfs/dbraw/zinc/14/55/86/479145586.db2.gz WOUXBBATPOANKE-UHFFFAOYSA-N 0 0 328.372 2.625 10 5 EFBERN O=[N+]([O-])c1c(NCCc2nnc3n2CCCC3)ccc2cnccc21 ZINC000599064601 479146283 /nfs/dbraw/zinc/14/62/83/479146283.db2.gz CRGYYHMJKFVJBN-UHFFFAOYSA-N 0 0 338.371 2.725 10 5 EFBERN CC1(C)CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000599069967 479147938 /nfs/dbraw/zinc/14/79/38/479147938.db2.gz DSUMNOKBMVLXNE-SFHVURJKSA-N 0 0 343.383 2.917 10 5 EFBERN CCOCCN(CC)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596120163 479149751 /nfs/dbraw/zinc/14/97/51/479149751.db2.gz ICAHBWCAJFMRJG-UHFFFAOYSA-N 0 0 330.768 2.898 10 5 EFBERN CCO[C@@]1(C)C[C@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599074617 479150363 /nfs/dbraw/zinc/15/03/63/479150363.db2.gz YIJMSLUCTKIYAF-INMHGKMJSA-N 0 0 330.388 2.575 10 5 EFBERN Cc1ccc([C@@H]2C[C@H]2NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000515349495 479151630 /nfs/dbraw/zinc/15/16/30/479151630.db2.gz MGSBQAZKKFQFHZ-NWDGAFQWSA-N 0 0 338.410 2.799 10 5 EFBERN O=c1[nH]ccc(N2CCC(Oc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596127623 479152526 /nfs/dbraw/zinc/15/25/26/479152526.db2.gz BLEDCSVCZAJVLY-UHFFFAOYSA-N 0 0 333.319 2.882 10 5 EFBERN COc1cc(NCCOC[C@H]2CCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596128731 479155027 /nfs/dbraw/zinc/15/50/27/479155027.db2.gz KNMHRHSROAPTFN-SNVBAGLBSA-N 0 0 330.768 2.864 10 5 EFBERN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 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IDBCKHXHVNAJNZ-JSGCOSHPSA-N 0 0 328.372 2.540 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596142297 479161869 /nfs/dbraw/zinc/16/18/69/479161869.db2.gz SFUWKLLTYGOTSD-RKDXNWHRSA-N 0 0 328.752 2.872 10 5 EFBERN C[C@@H]1CN(CCNc2ccc3cnccc3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000599105543 479162950 /nfs/dbraw/zinc/16/29/50/479162950.db2.gz YQDGGZRWJAVOCM-QWHCGFSZSA-N 0 0 330.388 2.664 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@H](c3cnn(C)c3)C2)n1 ZINC000599108635 479164035 /nfs/dbraw/zinc/16/40/35/479164035.db2.gz OYVSQPYXKJQTKG-KBPBESRZSA-N 0 0 331.376 2.672 10 5 EFBERN CNC(=O)CC1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596147189 479164270 /nfs/dbraw/zinc/16/42/70/479164270.db2.gz NYMGMDRBJLZUTR-UHFFFAOYSA-N 0 0 341.795 2.609 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C)[C@@H]1C ZINC000596150209 479165179 /nfs/dbraw/zinc/16/51/79/479165179.db2.gz VUOBRQHGQXNLCX-RYUDHWBXSA-N 0 0 341.433 2.518 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](n1cccn1)C(F)(F)F ZINC000599115564 479165301 /nfs/dbraw/zinc/16/53/01/479165301.db2.gz CRVDPWQOTKOAJG-SECBINFHSA-N 0 0 332.286 2.532 10 5 EFBERN CC(C)Cc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599114915 479165749 /nfs/dbraw/zinc/16/57/49/479165749.db2.gz JBVDMNLVDFGEBS-UHFFFAOYSA-N 0 0 325.372 2.870 10 5 EFBERN C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2(CCC2)CO1 ZINC000593088554 479166311 /nfs/dbraw/zinc/16/63/11/479166311.db2.gz GYASGSUQSCXYKU-GFCCVEGCSA-N 0 0 344.371 2.788 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1COc2cccc(C)c2C1 ZINC000599124243 479169141 /nfs/dbraw/zinc/16/91/41/479169141.db2.gz RXOJWZAEIJAUJT-LBPRGKRZSA-N 0 0 341.367 2.678 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000596157611 479169801 /nfs/dbraw/zinc/16/98/01/479169801.db2.gz ZIKVTGBQPFLLFU-OAHLLOKOSA-N 0 0 340.763 2.652 10 5 EFBERN O=[N+]([O-])c1cc(NC[C@@]2(CCO)CCOC2)ccc1C(F)(F)F ZINC000596159762 479171778 /nfs/dbraw/zinc/17/17/78/479171778.db2.gz JJYISBOCJOMJGC-CYBMUJFWSA-N 0 0 334.294 2.815 10 5 EFBERN COC(=O)[C@@]1(C)CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596161356 479172302 /nfs/dbraw/zinc/17/23/02/479172302.db2.gz VRYARQXYGQRBJK-AWEZNQCLSA-N 0 0 328.752 2.646 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596162350 479172590 /nfs/dbraw/zinc/17/25/90/479172590.db2.gz LMVSWRPNVZFXFZ-RKDXNWHRSA-N 0 0 328.752 2.648 10 5 EFBERN Cc1cc(NC[C@@H](O)[C@H]2CCCO2)c(Br)cc1[N+](=O)[O-] ZINC000599133076 479173255 /nfs/dbraw/zinc/17/32/55/479173255.db2.gz STZUWTXRPLCLSB-CHWSQXEVSA-N 0 0 345.193 2.618 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](CC)C1 ZINC000596165936 479173764 /nfs/dbraw/zinc/17/37/64/479173764.db2.gz VPGPIHRIMXLGIM-LBPRGKRZSA-N 0 0 341.433 2.519 10 5 EFBERN COC(=O)c1ccc(F)c2c1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC000599133456 479174302 /nfs/dbraw/zinc/17/43/02/479174302.db2.gz PQHPPTBJBYCNNO-UHFFFAOYSA-N 0 0 349.293 2.617 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC(CC(F)(F)F)C1 ZINC000610744739 479174611 /nfs/dbraw/zinc/17/46/11/479174611.db2.gz GNQSYNJEHNWGFK-UHFFFAOYSA-N 0 0 332.278 2.775 10 5 EFBERN COC(=O)c1c(Cl)c(NCC[C@@H](C)[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000596166935 479176135 /nfs/dbraw/zinc/17/61/35/479176135.db2.gz ZSLRRXDYODSPPA-CWMRNNLJSA-N 0 0 348.808 2.604 10 5 EFBERN O=[N+]([O-])c1ccc(NCC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000599139999 479177258 /nfs/dbraw/zinc/17/72/58/479177258.db2.gz OZCNAKCGTGZDPW-UHFFFAOYSA-N 0 0 330.331 2.964 10 5 EFBERN COC(=O)c1c(Cl)c(N(CCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000596170841 479178388 /nfs/dbraw/zinc/17/83/88/479178388.db2.gz XQSGEYDIDLAPSK-UHFFFAOYSA-N 0 0 344.795 2.880 10 5 EFBERN Cc1ccc(C(C)(C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)nc1 ZINC000599142007 479178535 /nfs/dbraw/zinc/17/85/35/479178535.db2.gz KRFREFXJSLZQQW-UHFFFAOYSA-N 0 0 330.388 2.762 10 5 EFBERN CCOc1cccc(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000610760428 479179581 /nfs/dbraw/zinc/17/95/81/479179581.db2.gz JIQJIBBDMITBRM-UHFFFAOYSA-N 0 0 343.383 2.680 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)C[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000596174415 479179825 /nfs/dbraw/zinc/17/98/25/479179825.db2.gz LNTVDWVPCFIFEX-CABZTGNLSA-N 0 0 342.779 2.632 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)C[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000596174417 479180323 /nfs/dbraw/zinc/18/03/23/479180323.db2.gz LNTVDWVPCFIFEX-SKDRFNHKSA-N 0 0 342.779 2.632 10 5 EFBERN COc1ccc(CNC(=O)NC[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000596177047 479181648 /nfs/dbraw/zinc/18/16/48/479181648.db2.gz CAZWOXTXPJYVIK-LBPRGKRZSA-N 0 0 344.371 2.601 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000599148027 479182048 /nfs/dbraw/zinc/18/20/48/479182048.db2.gz SDHBYOQFINKTGH-JOYOIKCWSA-N 0 0 340.763 2.793 10 5 EFBERN CCO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000599147190 479182096 /nfs/dbraw/zinc/18/20/96/479182096.db2.gz HABMMISINIDLFW-WBVHZDCISA-N 0 0 333.388 2.810 10 5 EFBERN COc1cc(NCCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])cc1C ZINC000596179464 479182374 /nfs/dbraw/zinc/18/23/74/479182374.db2.gz PXNZVJIAQCROSA-UHFFFAOYSA-N 0 0 342.417 2.539 10 5 EFBERN Cc1ccccc1CO[C@H](C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000599150700 479182545 /nfs/dbraw/zinc/18/25/45/479182545.db2.gz DNEUTBIFLOYGBP-LLVKDONJSA-N 0 0 343.343 2.965 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C2(C)CCC(F)(F)CC2)n1 ZINC000599153474 479183517 /nfs/dbraw/zinc/18/35/17/479183517.db2.gz DJUQRMKGRSYVHV-UHFFFAOYSA-N 0 0 327.291 2.845 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)c1ccccn1 ZINC000596181263 479183990 /nfs/dbraw/zinc/18/39/90/479183990.db2.gz YSPQIWYEAOLIDV-GFCCVEGCSA-N 0 0 344.371 2.601 10 5 EFBERN Cc1cc(C(F)F)oc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000599154042 479184562 /nfs/dbraw/zinc/18/45/62/479184562.db2.gz OUWWDUFGDUVVEW-UHFFFAOYSA-N 0 0 325.231 2.884 10 5 EFBERN COc1cccc(OCCn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1 ZINC000573963804 479184841 /nfs/dbraw/zinc/18/48/41/479184841.db2.gz LAZXKLMFDDTTHS-UHFFFAOYSA-N 0 0 344.367 2.723 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000596184462 479185277 /nfs/dbraw/zinc/18/52/77/479185277.db2.gz ABOBXNXJAVMETP-UHFFFAOYSA-N 0 0 347.415 2.595 10 5 EFBERN NC(=O)c1cc(N[C@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596181924 479185876 /nfs/dbraw/zinc/18/58/76/479185876.db2.gz HQNRFJRFJHOGIP-SUMWQHHRSA-N 0 0 341.367 2.883 10 5 EFBERN CCc1nn(C)c(NC[C@@H](C(=O)OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000599159756 479187135 /nfs/dbraw/zinc/18/71/35/479187135.db2.gz QGTLLVSXCASCBB-GFCCVEGCSA-N 0 0 338.408 2.672 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593119347 479187888 /nfs/dbraw/zinc/18/78/88/479187888.db2.gz WFECGTQVGTXBOQ-IINYFYTJSA-N 0 0 325.315 2.653 10 5 EFBERN Cc1cc(C2(c3nc(-c4ccc([N+](=O)[O-])o4)no3)CCOCC2)on1 ZINC000599163758 479189486 /nfs/dbraw/zinc/18/94/86/479189486.db2.gz DVINLKUFTFVIKA-UHFFFAOYSA-N 0 0 346.299 2.631 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)[C@H]1OC ZINC000596191670 479189952 /nfs/dbraw/zinc/18/99/52/479189952.db2.gz BEDIJIMQKJYXEW-LERXQTSPSA-N 0 0 330.768 2.861 10 5 EFBERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000599164470 479190485 /nfs/dbraw/zinc/19/04/85/479190485.db2.gz LXIZPEHILVFXMJ-RNCFNFMXSA-N 0 0 344.314 2.643 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599166490 479191315 /nfs/dbraw/zinc/19/13/15/479191315.db2.gz WNIDZSGPKYKNIU-AWEZNQCLSA-N 0 0 333.388 2.810 10 5 EFBERN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602128081 479192655 /nfs/dbraw/zinc/19/26/55/479192655.db2.gz IDQBEQZWKHJYLW-ZIAGYGMSSA-N 0 0 326.356 2.613 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599168447 479192780 /nfs/dbraw/zinc/19/27/80/479192780.db2.gz DWODILWWPUSJSJ-SECBINFHSA-N 0 0 346.742 2.600 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC(C)(CO)CC2)ccc1[N+](=O)[O-] ZINC000596198728 479194944 /nfs/dbraw/zinc/19/49/44/479194944.db2.gz SKFGAJNKHBLRPX-UHFFFAOYSA-N 0 0 342.779 2.634 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599174410 479195653 /nfs/dbraw/zinc/19/56/53/479195653.db2.gz XMSWHJWJYMQOFF-KPZWWZAWSA-N 0 0 343.383 2.750 10 5 EFBERN COCC[C@@H]1CCCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593132894 479196273 /nfs/dbraw/zinc/19/62/73/479196273.db2.gz HZJUNMURABLMDE-ZDUSSCGKSA-N 0 0 338.379 2.942 10 5 EFBERN O=[N+]([O-])c1cc(N2CC(F)(F)C[C@H]2CO)ccc1C(F)(F)F ZINC000596202651 479196359 /nfs/dbraw/zinc/19/63/59/479196359.db2.gz WCWUUPLTHWSQLE-QMMMGPOBSA-N 0 0 326.221 2.820 10 5 EFBERN O=C(NCC[C@@H]1CC=CCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599178459 479196613 /nfs/dbraw/zinc/19/66/13/479196613.db2.gz GOGMUGGQFUEBAU-CQSZACIVSA-N 0 0 347.419 2.884 10 5 EFBERN O=[N+]([O-])c1cnccc1N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599180829 479198050 /nfs/dbraw/zinc/19/80/50/479198050.db2.gz ZYQYDWHQVCHHBY-UHFFFAOYSA-N 0 0 337.383 2.793 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccccc2OC2CCC2)no1 ZINC000599182488 479198074 /nfs/dbraw/zinc/19/80/74/479198074.db2.gz JUNDEKBIPUOUSE-UHFFFAOYSA-N 0 0 341.327 2.977 10 5 EFBERN O=[N+]([O-])c1ccn(Cc2nc(-c3ccccc3OC3CCC3)no2)n1 ZINC000599181424 479198091 /nfs/dbraw/zinc/19/80/91/479198091.db2.gz AKRRWQMPNVCQJR-UHFFFAOYSA-N 0 0 341.327 2.821 10 5 EFBERN Cc1nn(C)c(Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c1[N+](=O)[O-] ZINC000599182535 479198282 /nfs/dbraw/zinc/19/82/82/479198282.db2.gz MBPMAHMZFMYIAO-VIFPVBQESA-N 0 0 329.360 2.850 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3OC3CCC3)no2)n1 ZINC000599182547 479198648 /nfs/dbraw/zinc/19/86/48/479198648.db2.gz MLYBGICNBYRSNN-UHFFFAOYSA-N 0 0 341.327 2.977 10 5 EFBERN CCNC(=O)C1(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CCC1 ZINC000596208157 479199000 /nfs/dbraw/zinc/19/90/00/479199000.db2.gz XQHRKSDNPCMATR-UHFFFAOYSA-N 0 0 341.795 2.975 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596209345 479200840 /nfs/dbraw/zinc/20/08/40/479200840.db2.gz SORZGOBGSCIISY-RKDXNWHRSA-N 0 0 328.752 2.872 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596209342 479201491 /nfs/dbraw/zinc/20/14/91/479201491.db2.gz SORZGOBGSCIISY-BDAKNGLRSA-N 0 0 328.752 2.872 10 5 EFBERN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(C)n1[C@@H]1CCOC1 ZINC000599189578 479202796 /nfs/dbraw/zinc/20/27/96/479202796.db2.gz TXLFZPMAMZLQIB-MRXNPFEDSA-N 0 0 343.383 2.905 10 5 EFBERN Cc1cc(OCc2nc([C@@H](C)c3cnccn3)no2)ccc1[N+](=O)[O-] ZINC000599192267 479203569 /nfs/dbraw/zinc/20/35/69/479203569.db2.gz FOKIILUERFAERK-NSHDSACASA-N 0 0 341.327 2.807 10 5 EFBERN Cc1noc([C@@H]2OCC[C@@H]2Nc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000599194681 479204179 /nfs/dbraw/zinc/20/41/79/479204179.db2.gz HNUBUTCFROVNJH-CMPLNLGQSA-N 0 0 326.259 2.507 10 5 EFBERN C[C@H](c1noc(CCNc2ccccc2[N+](=O)[O-])n1)c1cnccn1 ZINC000599195172 479204470 /nfs/dbraw/zinc/20/44/70/479204470.db2.gz POCGXVHMJXUMJL-NSHDSACASA-N 0 0 340.343 2.574 10 5 EFBERN COc1ccc([C@H]2CCN(c3c([N+](=O)[O-])c(C)nn3C)C2)cc1F ZINC000599195247 479204596 /nfs/dbraw/zinc/20/45/96/479204596.db2.gz UGPYQUPLXRCZJZ-LBPRGKRZSA-N 0 0 334.351 2.778 10 5 EFBERN Cc1noc([C@@H]2OCC[C@@H]2Nc2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC000599195401 479204915 /nfs/dbraw/zinc/20/49/15/479204915.db2.gz MQWRRPJPYAOQPS-DZGCQCFKSA-N 0 0 341.327 2.777 10 5 EFBERN COc1cc(-c2nc([C@@H](C)c3cnccn3)no2)cc([N+](=O)[O-])c1C ZINC000599196297 479205074 /nfs/dbraw/zinc/20/50/74/479205074.db2.gz XZNJHYVXAJBDFW-VIFPVBQESA-N 0 0 341.327 2.904 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596217377 479206030 /nfs/dbraw/zinc/20/60/30/479206030.db2.gz KUNFYLXKSHJLSQ-ZUZCIYMTSA-N 0 0 342.779 2.641 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000596222753 479208238 /nfs/dbraw/zinc/20/82/38/479208238.db2.gz JEFMWEQTIMPYKV-SECBINFHSA-N 0 0 340.763 2.508 10 5 EFBERN COC[C@]1(C)CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 ZINC000599202956 479208447 /nfs/dbraw/zinc/20/84/47/479208447.db2.gz SLCMUWDYYNIMED-INIZCTEOSA-N 0 0 349.412 2.960 10 5 EFBERN COc1cc(N2CCO[C@@]3(CCO[C@@H]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596224696 479209943 /nfs/dbraw/zinc/20/99/43/479209943.db2.gz ZCSYMWJDSNWWFX-BMIGLBTASA-N 0 0 342.779 2.641 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599218815 479212640 /nfs/dbraw/zinc/21/26/40/479212640.db2.gz CSAPVMCXGYIEQC-KBMXLJTQSA-N 0 0 333.388 2.913 10 5 EFBERN C[C@]12CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000593161776 479212633 /nfs/dbraw/zinc/21/26/33/479212633.db2.gz FQTPNPFLZXFVQV-OCCSQVGLSA-N 0 0 328.290 2.780 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)c2nnc(C)[nH]2)ccc1[N+](=O)[O-] ZINC000596232180 479214359 /nfs/dbraw/zinc/21/43/59/479214359.db2.gz QWNNIVARXPLHGA-LURJTMIESA-N 0 0 339.739 2.634 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593168636 479215646 /nfs/dbraw/zinc/21/56/46/479215646.db2.gz OFTLWWPAHHEWOH-ZIAGYGMSSA-N 0 0 349.387 2.622 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CC2(C1)CCCOC2 ZINC000596236466 479215743 /nfs/dbraw/zinc/21/57/43/479215743.db2.gz WQGIPAATIWVBBY-UHFFFAOYSA-N 0 0 327.178 2.974 10 5 EFBERN C[C@H]1CN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593175789 479220958 /nfs/dbraw/zinc/22/09/58/479220958.db2.gz DBMWGMICIHRPKP-LBPRGKRZSA-N 0 0 326.356 2.605 10 5 EFBERN CC[C@H](C)N(CCO)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596243378 479221840 /nfs/dbraw/zinc/22/18/40/479221840.db2.gz KSTTZGFFLPXHJW-VIFPVBQESA-N 0 0 330.768 2.632 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ncon2)c(C(F)(F)F)c1 ZINC000556842255 479222339 /nfs/dbraw/zinc/22/23/39/479222339.db2.gz CTFWUCCBAAGUCM-SECBINFHSA-N 0 0 329.238 2.733 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000610887283 479223600 /nfs/dbraw/zinc/22/36/00/479223600.db2.gz HSIOUKPAFNWLSD-INIZCTEOSA-N 0 0 327.340 2.981 10 5 EFBERN Cc1noc(COc2ccc(C(=O)N3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596262531 479230282 /nfs/dbraw/zinc/23/02/82/479230282.db2.gz FHVDLSKZSDQURL-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN CCc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000610913052 479231957 /nfs/dbraw/zinc/23/19/57/479231957.db2.gz MQQNQWXSWRWHCZ-UHFFFAOYSA-N 0 0 340.133 2.582 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCCn2cc(C)cn2)c1 ZINC000593194245 479234325 /nfs/dbraw/zinc/23/43/25/479234325.db2.gz BBXDKXXOFLJOTN-UHFFFAOYSA-N 0 0 335.385 2.820 10 5 EFBERN CCCN1C[C@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1=O ZINC000596276994 479235927 /nfs/dbraw/zinc/23/59/27/479235927.db2.gz DDHCJXMUFVDAJC-JTQLQIEISA-N 0 0 341.795 2.927 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(c2ccccc2Cl)CCC1 ZINC000593200879 479236930 /nfs/dbraw/zinc/23/69/30/479236930.db2.gz RSHVDGXGIPLNMF-UHFFFAOYSA-N 0 0 348.790 2.949 10 5 EFBERN COc1cc(N2CC[C@@H](Nc3ncccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596285951 479239385 /nfs/dbraw/zinc/23/93/85/479239385.db2.gz QEIOXTUCHBHFHY-SNVBAGLBSA-N 0 0 349.778 2.738 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)C[C@H]1COc2ccccc2O1 ZINC000574197557 479239456 /nfs/dbraw/zinc/23/94/56/479239456.db2.gz NVTCXIIKAYTPNX-LBPRGKRZSA-N 0 0 330.340 2.880 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cc2n(n1)CCCC2 ZINC000593204028 479239562 /nfs/dbraw/zinc/23/95/62/479239562.db2.gz FFZSKMYNWKABMK-GFCCVEGCSA-N 0 0 349.412 2.804 10 5 EFBERN CC[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C(=O)OC ZINC000596288956 479240309 /nfs/dbraw/zinc/24/03/09/479240309.db2.gz SMTFRPJBPJYSRC-MRVPVSSYSA-N 0 0 344.751 2.646 10 5 EFBERN CC[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C(=O)OC ZINC000596288957 479240631 /nfs/dbraw/zinc/24/06/31/479240631.db2.gz SMTFRPJBPJYSRC-QMMMGPOBSA-N 0 0 344.751 2.646 10 5 EFBERN CCN1C[C@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1=O ZINC000596292874 479241356 /nfs/dbraw/zinc/24/13/56/479241356.db2.gz MCGKSRNQQOVTRG-VIFPVBQESA-N 0 0 327.768 2.537 10 5 EFBERN C[C@@]12C(=O)N(Cc3ccc(F)cc3[N+](=O)[O-])C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000596297782 479242541 /nfs/dbraw/zinc/24/25/41/479242541.db2.gz IENLXHSSPJRJMN-SZMHQZGZSA-N 0 0 332.331 2.655 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593213201 479242673 /nfs/dbraw/zinc/24/26/73/479242673.db2.gz JDTWMGQMOVXCDT-UHFFFAOYSA-N 0 0 343.339 2.592 10 5 EFBERN COc1cc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)ccc1[N+](=O)[O-] ZINC000593216377 479243756 /nfs/dbraw/zinc/24/37/56/479243756.db2.gz XTVMLUCQWRXCSP-UHFFFAOYSA-N 0 0 343.339 2.835 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593219490 479245712 /nfs/dbraw/zinc/24/57/12/479245712.db2.gz HSLUKKLKZSTRTL-BXUZGUMPSA-N 0 0 334.372 2.930 10 5 EFBERN COc1cc(C)c([S@@](C)=O)cc1OCc1onc(C)c1[N+](=O)[O-] ZINC000596303453 479246321 /nfs/dbraw/zinc/24/63/21/479246321.db2.gz CAQVRJUGPOEYLP-HSZRJFAPSA-N 0 0 340.357 2.525 10 5 EFBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC2(C1)CC(F)(F)C2 ZINC000610968215 479247015 /nfs/dbraw/zinc/24/70/15/479247015.db2.gz JSRZNGNVQFUCER-UHFFFAOYSA-N 0 0 348.309 2.652 10 5 EFBERN COC(=O)c1cnc(N2CCC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000596306439 479247158 /nfs/dbraw/zinc/24/71/58/479247158.db2.gz QKNQVUDULOMJGD-LBPRGKRZSA-N 0 0 342.355 2.555 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ccccn3)C2)n1 ZINC000596307481 479248099 /nfs/dbraw/zinc/24/80/99/479248099.db2.gz XVJMOFJDWFSUNV-GFCCVEGCSA-N 0 0 342.355 2.555 10 5 EFBERN COC1(C[C@@H]2NC(=O)N([C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000593224114 479249046 /nfs/dbraw/zinc/24/90/46/479249046.db2.gz BOHWUUJTWTZNQQ-RISCZKNCSA-N 0 0 347.371 2.535 10 5 EFBERN CC(=O)c1cc(N(C)[C@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596311786 479249570 /nfs/dbraw/zinc/24/95/70/479249570.db2.gz GBBCYCDXROHBJM-INIZCTEOSA-N 0 0 328.368 2.837 10 5 EFBERN CCCC[C@@H](C)N(CCCC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599313927 479249970 /nfs/dbraw/zinc/24/99/70/479249970.db2.gz RLOLJXDGSVSSPF-GFCCVEGCSA-N 0 0 346.453 2.698 10 5 EFBERN CC1(C)CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599313370 479250025 /nfs/dbraw/zinc/25/00/25/479250025.db2.gz JECINOTXSHAWKH-UHFFFAOYSA-N 0 0 332.335 2.934 10 5 EFBERN CC(C)n1cnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000593230382 479251306 /nfs/dbraw/zinc/25/13/06/479251306.db2.gz SRPQERMKXUZYRG-SNVBAGLBSA-N 0 0 335.389 2.887 10 5 EFBERN COC[C@H](CCNc1ccc(Br)cc1[N+](=O)[O-])OC ZINC000596320497 479252882 /nfs/dbraw/zinc/25/28/82/479252882.db2.gz OATVECKYMZLSTP-JTQLQIEISA-N 0 0 333.182 2.821 10 5 EFBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCOC1 ZINC000596319652 479253097 /nfs/dbraw/zinc/25/30/97/479253097.db2.gz YZRFSRUYSQHEFT-TVQRCGJNSA-N 0 0 332.303 2.660 10 5 EFBERN CC(C)(C)Oc1cc(N2CC[C@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000596321862 479254142 /nfs/dbraw/zinc/25/41/42/479254142.db2.gz MKMNHFLERYLLLX-ZDUSSCGKSA-N 0 0 345.403 2.890 10 5 EFBERN COC[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CCOCC1 ZINC000596331277 479256026 /nfs/dbraw/zinc/25/60/26/479256026.db2.gz XVEIPKFUHDDYDI-OAHLLOKOSA-N 0 0 331.372 2.997 10 5 EFBERN C[C@@]1(C2CC2)CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000596335082 479257477 /nfs/dbraw/zinc/25/74/77/479257477.db2.gz OEYJASYPEHRGDH-ZDUSSCGKSA-N 0 0 342.193 2.758 10 5 EFBERN CO[C@@H](CSCCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596332901 479257766 /nfs/dbraw/zinc/25/77/66/479257766.db2.gz CDBHFZKXAJARMM-DOMZBBRYSA-N 0 0 327.402 2.758 10 5 EFBERN CC[C@H](OCCNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593248407 479259374 /nfs/dbraw/zinc/25/93/74/479259374.db2.gz BEKPVHGAGOPAMC-INIZCTEOSA-N 0 0 329.356 2.888 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000611005692 479259378 /nfs/dbraw/zinc/25/93/78/479259378.db2.gz HVBCDMLOEYHNCR-NWDGAFQWSA-N 0 0 329.356 2.575 10 5 EFBERN C[C@H]1C[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ncnn21 ZINC000596346654 479260702 /nfs/dbraw/zinc/26/07/02/479260702.db2.gz RMIWGFJWUALPTG-JOYOIKCWSA-N 0 0 342.384 2.850 10 5 EFBERN CC[C@@H](OCCNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000593251076 479261014 /nfs/dbraw/zinc/26/10/14/479261014.db2.gz LCMUKKNAJLQUCQ-OAHLLOKOSA-N 0 0 346.387 2.709 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ncccc2C1 ZINC000611008971 479261293 /nfs/dbraw/zinc/26/12/93/479261293.db2.gz BZIDVZUDRPCHPK-UHFFFAOYSA-N 0 0 331.759 2.771 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000596359266 479265486 /nfs/dbraw/zinc/26/54/86/479265486.db2.gz FRQZVSLWXBWAAO-UNEWFSDZSA-N 0 0 345.399 2.543 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@@](O)(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000602274602 479266255 /nfs/dbraw/zinc/26/62/55/479266255.db2.gz UWEHSISVUGNTQS-WBVHZDCISA-N 0 0 335.404 2.992 10 5 EFBERN CCOc1cc(N[C@@H]2Cc3ccccc3N(C)C2=O)ccc1[N+](=O)[O-] ZINC000596363657 479266833 /nfs/dbraw/zinc/26/68/33/479266833.db2.gz URFLJIZVIRRXQZ-CQSZACIVSA-N 0 0 341.367 2.993 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000596366683 479268093 /nfs/dbraw/zinc/26/80/93/479268093.db2.gz DJLQPQNOBBDFBI-XNRPHZJLSA-N 0 0 336.388 2.775 10 5 EFBERN O=[N+]([O-])c1c(I)n(C2CC2)nc1C(F)(F)F ZINC000584881229 479269612 /nfs/dbraw/zinc/26/96/12/479269612.db2.gz PHIXTDRVIPCTFZ-UHFFFAOYSA-N 0 0 347.034 2.750 10 5 EFBERN CSc1cccc(C(=O)NCc2cc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000603141313 479270510 /nfs/dbraw/zinc/27/05/10/479270510.db2.gz FLTBQQPSAVGUCY-UHFFFAOYSA-N 0 0 346.412 2.780 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC000593277313 479270917 /nfs/dbraw/zinc/27/09/17/479270917.db2.gz RIYCBIXSASBZIX-UHFFFAOYSA-N 0 0 332.335 2.563 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC(C)(C)c3ccc(F)cc32)c1[N+](=O)[O-] ZINC000593277229 479271253 /nfs/dbraw/zinc/27/12/53/479271253.db2.gz OODZTPXXLXWGEL-UHFFFAOYSA-N 0 0 332.335 2.714 10 5 EFBERN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCOC1 ZINC000593293531 479280586 /nfs/dbraw/zinc/28/05/86/479280586.db2.gz BVWSLHPRQOOBHL-CQSZACIVSA-N 0 0 331.372 2.646 10 5 EFBERN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000593295519 479281655 /nfs/dbraw/zinc/28/16/55/479281655.db2.gz NBZNBXNKQPPQJO-CYBMUJFWSA-N 0 0 326.780 2.818 10 5 EFBERN CCC(C)(C)OC1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000599403560 479285623 /nfs/dbraw/zinc/28/56/23/479285623.db2.gz BPBRWBSNIYIFRP-UHFFFAOYSA-N 0 0 348.446 2.543 10 5 EFBERN C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596416682 479287713 /nfs/dbraw/zinc/28/77/13/479287713.db2.gz CIJQMHMZSJVSFT-ZDUSSCGKSA-N 0 0 328.372 2.635 10 5 EFBERN CO[C@H](CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CCC1 ZINC000596420706 479287735 /nfs/dbraw/zinc/28/77/35/479287735.db2.gz ZRLWRAIXVDAEDE-CYBMUJFWSA-N 0 0 345.442 2.906 10 5 EFBERN Cc1nn(CCC(=O)Nc2cc(F)cc(N(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000593315737 479290123 /nfs/dbraw/zinc/29/01/23/479290123.db2.gz LESAGKCLLZFJNI-UHFFFAOYSA-N 0 0 349.366 2.642 10 5 EFBERN C[C@@H]1CO[C@@H](C)CN1CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596426906 479290210 /nfs/dbraw/zinc/29/02/10/479290210.db2.gz CXMWNEMYYDKNRJ-OLZOCXBDSA-N 0 0 330.388 2.664 10 5 EFBERN C[C@H]1CN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)CO1 ZINC000596426908 479290669 /nfs/dbraw/zinc/29/06/69/479290669.db2.gz CXMWNEMYYDKNRJ-STQMWFEESA-N 0 0 330.388 2.664 10 5 EFBERN C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593317537 479290881 /nfs/dbraw/zinc/29/08/81/479290881.db2.gz QLYIAKNKJNYMEA-ZDUSSCGKSA-N 0 0 333.388 2.567 10 5 EFBERN CCNc1ccc(C(=O)N2C[C@@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593317461 479290934 /nfs/dbraw/zinc/29/09/34/479290934.db2.gz PGLMNCPLJDQHFR-GFCCVEGCSA-N 0 0 333.388 2.810 10 5 EFBERN CC(C)(CNc1ncc([N+](=O)[O-])cc1Br)n1cccn1 ZINC000585118061 479291556 /nfs/dbraw/zinc/29/15/56/479291556.db2.gz ZTKYFHCBLBVKGA-UHFFFAOYSA-N 0 0 340.181 2.796 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593316908 479291290 /nfs/dbraw/zinc/29/12/90/479291290.db2.gz MEWKDGSMTPYHHU-GFCCVEGCSA-N 0 0 345.399 2.953 10 5 EFBERN C[C@@H]1CN(C(=O)CSc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593319555 479292144 /nfs/dbraw/zinc/29/21/44/479292144.db2.gz NKBBFFARPBMWGX-GFCCVEGCSA-N 0 0 336.413 2.857 10 5 EFBERN COc1cc(C(=O)N2C[C@@H](C)OCC23CCC3)c([N+](=O)[O-])cc1F ZINC000593318568 479292461 /nfs/dbraw/zinc/29/24/61/479292461.db2.gz DWJDVRDKGBFDLO-SNVBAGLBSA-N 0 0 338.335 2.526 10 5 EFBERN C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C2(CCC2)CO1 ZINC000593318188 479292762 /nfs/dbraw/zinc/29/27/62/479292762.db2.gz ARDYZDWEJOYZKI-LBPRGKRZSA-N 0 0 343.383 2.789 10 5 EFBERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cscn1 ZINC000596433715 479293531 /nfs/dbraw/zinc/29/35/31/479293531.db2.gz UHKYGNFFDHEOSW-QMMMGPOBSA-N 0 0 327.387 2.628 10 5 EFBERN COCc1n[nH]c(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)n1 ZINC000596436908 479293875 /nfs/dbraw/zinc/29/38/75/479293875.db2.gz RXFNFGZQSIRSES-UHFFFAOYSA-N 0 0 335.364 2.649 10 5 EFBERN COCc1n[nH]c(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000596435810 479294086 /nfs/dbraw/zinc/29/40/86/479294086.db2.gz IWCSNPABOJAYBS-UHFFFAOYSA-N 0 0 332.147 2.778 10 5 EFBERN COC(=O)c1cc(N2CC3(CCC3)OC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596435264 479294330 /nfs/dbraw/zinc/29/43/30/479294330.db2.gz BYRVXLJELCGWOC-LBPRGKRZSA-N 0 0 334.372 2.838 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](C1CC1)C1CCOCC1 ZINC000593321832 479294235 /nfs/dbraw/zinc/29/42/35/479294235.db2.gz ZHGOKQKKVOEOQJ-QGZVFWFLSA-N 0 0 347.415 2.642 10 5 EFBERN CC[C@H](CC(F)(F)F)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000557630152 479295321 /nfs/dbraw/zinc/29/53/21/479295321.db2.gz FTYMMFRXPIJRKP-SSDOTTSWSA-N 0 0 330.266 2.808 10 5 EFBERN CCO[C@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000596440304 479295671 /nfs/dbraw/zinc/29/56/71/479295671.db2.gz HDXSWCZDBCWQMX-JOCQHMNTSA-N 0 0 344.371 2.539 10 5 EFBERN C[C@H](C(=O)NC1(C(F)(F)F)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000557633171 479296906 /nfs/dbraw/zinc/29/69/06/479296906.db2.gz DXPAKUASSZDOLU-JTQLQIEISA-N 0 0 346.305 2.926 10 5 EFBERN Cn1ncc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1C(F)F ZINC000611159646 479297297 /nfs/dbraw/zinc/29/72/97/479297297.db2.gz OKLQARYEGAACMD-UHFFFAOYSA-N 0 0 349.297 2.859 10 5 EFBERN COC(=O)c1ccc2c(c1)[C@H](CNc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000596444214 479297202 /nfs/dbraw/zinc/29/72/02/479297202.db2.gz NXOPWIMQSWOAAQ-ZDUSSCGKSA-N 0 0 344.371 2.647 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc(NCCO[C@@H]3CC3(F)F)n2)cc1 ZINC000596446920 479298248 /nfs/dbraw/zinc/29/82/48/479298248.db2.gz HRONAIXKYQXRFR-GFCCVEGCSA-N 0 0 341.339 2.976 10 5 EFBERN COC(=O)c1ccc(CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000599443306 479298898 /nfs/dbraw/zinc/29/88/98/479298898.db2.gz MGYZNKOERJZBTE-LBPRGKRZSA-N 0 0 329.356 2.969 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000596452471 479300179 /nfs/dbraw/zinc/30/01/79/479300179.db2.gz DKMJOYQYOLKLIL-ACJLOTCBSA-N 0 0 347.415 2.911 10 5 EFBERN CCC(F)(F)C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599445735 479300216 /nfs/dbraw/zinc/30/02/16/479300216.db2.gz PLRDOXHQQWGAHN-UHFFFAOYSA-N 0 0 336.360 2.945 10 5 EFBERN CC[C@@H](NC(=O)NC[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596456156 479301540 /nfs/dbraw/zinc/30/15/40/479301540.db2.gz ZFVODJDBWHABTD-XJKSGUPXSA-N 0 0 335.404 2.754 10 5 EFBERN CC[C@H](NC(=O)N1C[C@H](C)C(O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596454686 479301626 /nfs/dbraw/zinc/30/16/26/479301626.db2.gz NZBBETRCNSMJLL-HUBLWGQQSA-N 0 0 335.404 2.704 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)N2CC3(C2)CC(F)(F)C3)cccc1[N+](=O)[O-] ZINC000611180345 479304890 /nfs/dbraw/zinc/30/48/90/479304890.db2.gz DTGSMCLAMXKDNP-LLVKDONJSA-N 0 0 339.342 2.961 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC2(C1)CC(F)(F)C2 ZINC000611180822 479305211 /nfs/dbraw/zinc/30/52/11/479305211.db2.gz VRQRCPCKIJLSDY-UHFFFAOYSA-N 0 0 325.315 2.573 10 5 EFBERN Cc1cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596462869 479305335 /nfs/dbraw/zinc/30/53/35/479305335.db2.gz LUHXHEJUADGFAX-PBKGOJFUSA-N 0 0 342.399 2.813 10 5 EFBERN C[C@H]1CC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CS1(=O)=O ZINC000596466623 479307202 /nfs/dbraw/zinc/30/72/02/479307202.db2.gz SVIOEASABASECL-CMPLNLGQSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@H](CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000599468883 479307453 /nfs/dbraw/zinc/30/74/53/479307453.db2.gz RNRQXHQELFULPN-GFCCVEGCSA-N 0 0 341.433 2.827 10 5 EFBERN C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000596468062 479308152 /nfs/dbraw/zinc/30/81/52/479308152.db2.gz CYSLZFDODRLALW-RKDXNWHRSA-N 0 0 329.194 2.810 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593354417 479308540 /nfs/dbraw/zinc/30/85/40/479308540.db2.gz RBSOSBRLUSYDRW-NSHDSACASA-N 0 0 329.331 2.931 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](C1CC1)C1CCOCC1 ZINC000593356473 479309428 /nfs/dbraw/zinc/30/94/28/479309428.db2.gz OMEKOZGJRUVDQW-QGZVFWFLSA-N 0 0 347.415 2.642 10 5 EFBERN C[C@@]1(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(F)F ZINC000596474721 479309598 /nfs/dbraw/zinc/30/95/98/479309598.db2.gz BHLDBFADZBXUKB-GFCCVEGCSA-N 0 0 334.344 2.846 10 5 EFBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000593359163 479309803 /nfs/dbraw/zinc/30/98/03/479309803.db2.gz RTHVOYDXCSMWIW-CQSZACIVSA-N 0 0 336.388 2.716 10 5 EFBERN C[C@]1(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(F)F ZINC000596474722 479310007 /nfs/dbraw/zinc/31/00/07/479310007.db2.gz BHLDBFADZBXUKB-LBPRGKRZSA-N 0 0 334.344 2.846 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593358940 479310015 /nfs/dbraw/zinc/31/00/15/479310015.db2.gz NBOCLJUJUZSLRY-CQSZACIVSA-N 0 0 326.299 2.621 10 5 EFBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593357684 479310030 /nfs/dbraw/zinc/31/00/30/479310030.db2.gz CWWPCMPDIJGAHX-OAHLLOKOSA-N 0 0 348.309 2.652 10 5 EFBERN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593357456 479310111 /nfs/dbraw/zinc/31/01/11/479310111.db2.gz BXAVWJDQKVZYDC-OAHLLOKOSA-N 0 0 348.309 2.652 10 5 EFBERN C[C@]1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1(F)F ZINC000596479422 479311317 /nfs/dbraw/zinc/31/13/17/479311317.db2.gz UWKDLUYPTKGHPD-CQSZACIVSA-N 0 0 325.315 2.944 10 5 EFBERN CC[C@@H](NC(=O)c1cnc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000611211580 479312627 /nfs/dbraw/zinc/31/26/27/479312627.db2.gz FHDOOWXZJPYFOK-CYBMUJFWSA-N 0 0 325.328 2.747 10 5 EFBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000611215545 479312927 /nfs/dbraw/zinc/31/29/27/479312927.db2.gz JCGLVYYCBNKTKU-LKBWSCCASA-N 0 0 332.404 2.663 10 5 EFBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnoc1 ZINC000585698345 479313012 /nfs/dbraw/zinc/31/30/12/479313012.db2.gz HADKAQVZQPPFSJ-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN Cc1cc(N2C[C@@H]3COC[C@@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596483061 479313200 /nfs/dbraw/zinc/31/32/00/479313200.db2.gz OELQEXCWOABFOO-RDTXWAMCSA-N 0 0 340.383 2.833 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(COC)ccn1 ZINC000593369408 479314559 /nfs/dbraw/zinc/31/45/59/479314559.db2.gz NWCKXURPHQKCDB-UHFFFAOYSA-N 0 0 331.328 2.787 10 5 EFBERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611218666 479314770 /nfs/dbraw/zinc/31/47/70/479314770.db2.gz DBSUGZUIEGBVHU-UHFFFAOYSA-N 0 0 342.277 2.619 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCOC3)n1 ZINC000596486389 479314656 /nfs/dbraw/zinc/31/46/56/479314656.db2.gz WZNWLVUIIXFIRP-UHFFFAOYSA-N 0 0 329.312 2.593 10 5 EFBERN COc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] ZINC000599506849 479316372 /nfs/dbraw/zinc/31/63/72/479316372.db2.gz LEKXOBMPOWEJHF-NHYWBVRUSA-N 0 0 340.401 2.557 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000596501750 479318404 /nfs/dbraw/zinc/31/84/04/479318404.db2.gz KSJANANYRZWAHA-HZGVNTEJSA-N 0 0 348.306 2.756 10 5 EFBERN Cc1cncc(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000596500148 479318433 /nfs/dbraw/zinc/31/84/33/479318433.db2.gz YZIXXOHSUUUQDO-UHFFFAOYSA-N 0 0 327.266 2.762 10 5 EFBERN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccnc1C ZINC000574628484 479318547 /nfs/dbraw/zinc/31/85/47/479318547.db2.gz NZVOYFYNPXUMBQ-UHFFFAOYSA-N 0 0 329.356 2.902 10 5 EFBERN Cc1nnccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585750467 479321939 /nfs/dbraw/zinc/32/19/39/479321939.db2.gz GQVMPGMAGFVGOH-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN CC1(C)[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1(F)F ZINC000596512990 479323531 /nfs/dbraw/zinc/32/35/31/479323531.db2.gz OEPKGQBFJZBWJC-NSHDSACASA-N 0 0 334.344 2.702 10 5 EFBERN O=C(c1cc(N[C@H]2C[C@@H](O)C23CCC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596511367 479323603 /nfs/dbraw/zinc/32/36/03/479323603.db2.gz PHXAPIAEACEZMP-JKSUJKDBSA-N 0 0 345.399 2.546 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000596515722 479324685 /nfs/dbraw/zinc/32/46/85/479324685.db2.gz XHOWHMXCTBQLTB-HZPDHXFCSA-N 0 0 347.415 2.659 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596517484 479324916 /nfs/dbraw/zinc/32/49/16/479324916.db2.gz KPKFTEQTAPKJPM-CXAGYDPISA-N 0 0 343.383 2.559 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCOCC23CCCCC3)c1[N+](=O)[O-] ZINC000574653373 479325126 /nfs/dbraw/zinc/32/51/26/479325126.db2.gz UQSPELFAYUMGOY-UHFFFAOYSA-N 0 0 336.392 2.617 10 5 EFBERN COC(=O)[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1C ZINC000596516201 479325309 /nfs/dbraw/zinc/32/53/09/479325309.db2.gz MOTZWRLIOQQNFL-WCQYABFASA-N 0 0 333.388 2.504 10 5 EFBERN Cc1c(CNC(=O)N[C@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593399159 479325617 /nfs/dbraw/zinc/32/56/17/479325617.db2.gz WUNLDKZYPGCAKL-QGZVFWFLSA-N 0 0 347.415 2.908 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000611256284 479325949 /nfs/dbraw/zinc/32/59/49/479325949.db2.gz NOVFMEHOLWLOGV-UHFFFAOYSA-N 0 0 325.368 2.939 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2cccnc2)CC1 ZINC000611256220 479326367 /nfs/dbraw/zinc/32/63/67/479326367.db2.gz MCLQOURMYOERCS-UHFFFAOYSA-N 0 0 326.356 2.713 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000611255993 479326435 /nfs/dbraw/zinc/32/64/35/479326435.db2.gz AJBXDEVSSSASKR-UHFFFAOYSA-N 0 0 325.368 2.939 10 5 EFBERN CC(C)c1ccc(C(=O)NCc2cccc(CO)n2)cc1[N+](=O)[O-] ZINC000574669885 479327173 /nfs/dbraw/zinc/32/71/73/479327173.db2.gz XYGALUBPIOLGBN-UHFFFAOYSA-N 0 0 329.356 2.536 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2COC[C@H]2C1 ZINC000596527310 479329036 /nfs/dbraw/zinc/32/90/36/479329036.db2.gz INVNLSBFEINKFG-VHSXEESVSA-N 0 0 327.178 2.830 10 5 EFBERN C[C@@H](NC(=O)Cc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593410764 479329682 /nfs/dbraw/zinc/32/96/82/479329682.db2.gz DOVIAHLKVNPATC-GFCCVEGCSA-N 0 0 328.372 2.548 10 5 EFBERN CC(C)(CNc1c2ccccc2ncc1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000596532334 479330941 /nfs/dbraw/zinc/33/09/41/479330941.db2.gz DEAIZCXWHOOFRQ-GOSISDBHSA-N 0 0 345.399 2.545 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596536181 479331951 /nfs/dbraw/zinc/33/19/51/479331951.db2.gz NBMUTIWSYCGTEO-ZDUSSCGKSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)Oc1nc(N2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000596535926 479331994 /nfs/dbraw/zinc/33/19/94/479331994.db2.gz YZDXIVGKXNAUFS-UHFFFAOYSA-N 0 0 345.355 2.882 10 5 EFBERN O=C1N(CCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]2CCCCN12 ZINC000596536393 479332399 /nfs/dbraw/zinc/33/23/99/479332399.db2.gz WZNRFODEGUBXBO-SNVBAGLBSA-N 0 0 340.330 2.575 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000596536824 479333572 /nfs/dbraw/zinc/33/35/72/479333572.db2.gz XSWOULDYNFLBJT-LLVKDONJSA-N 0 0 325.796 2.989 10 5 EFBERN C[C@@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000596539617 479333675 /nfs/dbraw/zinc/33/36/75/479333675.db2.gz GWDKAYLGNFLZJO-LLVKDONJSA-N 0 0 333.388 2.506 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCC(=O)OC(C)C)c1 ZINC000593422325 479334490 /nfs/dbraw/zinc/33/44/90/479334490.db2.gz HLQUOYAMAAUNFF-UHFFFAOYSA-N 0 0 327.358 2.566 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@](F)(c3ccccc3)C2)n1 ZINC000574712992 479334709 /nfs/dbraw/zinc/33/47/09/479334709.db2.gz QSCJMYPBSSJJCJ-KRWDZBQOSA-N 0 0 345.330 2.852 10 5 EFBERN NC(=O)CC1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCCCC1 ZINC000596545657 479335653 /nfs/dbraw/zinc/33/56/53/479335653.db2.gz WGCCYUYZWIPQMM-UHFFFAOYSA-N 0 0 342.399 2.803 10 5 EFBERN CC(=O)c1ccc2c(c1)oc(=O)n2CCOc1ccc([N+](=O)[O-])cc1 ZINC000585814363 479335883 /nfs/dbraw/zinc/33/58/83/479335883.db2.gz CSGHETOUEBMMKN-UHFFFAOYSA-N 0 0 342.307 2.784 10 5 EFBERN CNc1ccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000574724007 479336045 /nfs/dbraw/zinc/33/60/45/479336045.db2.gz LZMCHGMEUHIYNQ-NLNKHKNDSA-N 0 0 327.384 2.921 10 5 EFBERN CC1(C)CC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000596551570 479336114 /nfs/dbraw/zinc/33/61/14/479336114.db2.gz GTDVJLHNVULDMV-UHFFFAOYSA-N 0 0 333.388 2.668 10 5 EFBERN Cn1c2cc(N[C@H]3C[C@H](OC(C)(C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596550368 479336425 /nfs/dbraw/zinc/33/64/25/479336425.db2.gz MWMFFQGIZVUSRG-XYPYZODXSA-N 0 0 348.403 2.543 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCn2c(nnc2C(C)(C)C)C1 ZINC000596552957 479337565 /nfs/dbraw/zinc/33/75/65/479337565.db2.gz BZLLTXXKZJGGFK-UHFFFAOYSA-N 0 0 331.376 2.513 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000596555666 479337626 /nfs/dbraw/zinc/33/76/26/479337626.db2.gz SNCVNAKRAVKCRB-PSASIEDQSA-N 0 0 336.314 2.666 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC000596556386 479338564 /nfs/dbraw/zinc/33/85/64/479338564.db2.gz BPWYTLGATAFADU-MRVPVSSYSA-N 0 0 325.674 2.801 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3C[C@]45COC[C@@]4(C3)CCCC5)nc2c1 ZINC000596567076 479342517 /nfs/dbraw/zinc/34/25/17/479342517.db2.gz LVMFSPDGVMXEKR-CALCHBBNSA-N 0 0 328.372 2.868 10 5 EFBERN CCOc1cc(N2CCc3c(cccc3C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000596566579 479342776 /nfs/dbraw/zinc/34/27/76/479342776.db2.gz FHGIYGGLNSLXMB-UHFFFAOYSA-N 0 0 341.367 2.655 10 5 EFBERN COC(=O)c1cnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)s1 ZINC000596568871 479342924 /nfs/dbraw/zinc/34/29/24/479342924.db2.gz XYAVMHAWCSSQOT-SNVBAGLBSA-N 0 0 348.384 2.617 10 5 EFBERN Cc1cc(C)nc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000586751654 479343304 /nfs/dbraw/zinc/34/33/04/479343304.db2.gz KZOBMHIFBKVWKN-UHFFFAOYSA-N 0 0 342.323 2.859 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000596573246 479344186 /nfs/dbraw/zinc/34/41/86/479344186.db2.gz JZKBENJDNZTLTN-VFZGTOFNSA-N 0 0 344.314 2.630 10 5 EFBERN CCOC(=O)c1cc(N2CCO[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596572473 479344352 /nfs/dbraw/zinc/34/43/52/479344352.db2.gz PLLZLEQEPFSXHG-OAHLLOKOSA-N 0 0 344.314 2.632 10 5 EFBERN C[C@]1(C(F)F)CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000596572966 479344358 /nfs/dbraw/zinc/34/43/58/479344358.db2.gz JBABSTQZYWUIHE-LLVKDONJSA-N 0 0 341.236 2.869 10 5 EFBERN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@](C)(C(F)F)O1 ZINC000596573614 479345094 /nfs/dbraw/zinc/34/50/94/479345094.db2.gz LEEJPYIRDNCLAC-XLKFXECMSA-N 0 0 326.303 2.720 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000611306663 479345148 /nfs/dbraw/zinc/34/51/48/479345148.db2.gz UNRUFCABSGLXBJ-INIZCTEOSA-N 0 0 330.388 2.831 10 5 EFBERN Cc1c(CNC(=O)NC[C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000596579915 479346533 /nfs/dbraw/zinc/34/65/33/479346533.db2.gz RHUHAWFEAMCKTA-GFCCVEGCSA-N 0 0 328.372 2.901 10 5 EFBERN Cc1ccn([C@H](C)Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)n1 ZINC000596579580 479347088 /nfs/dbraw/zinc/34/70/88/479347088.db2.gz HLUOQPUNDLFAMI-GFCCVEGCSA-N 0 0 327.344 2.877 10 5 EFBERN CC(C)(C)OC(=O)[C@@H](CNc1ncc([N+](=O)[O-])s1)C1CCC1 ZINC000596581252 479347178 /nfs/dbraw/zinc/34/71/78/479347178.db2.gz GJAJFYLGXCOPEW-JTQLQIEISA-N 0 0 327.406 2.643 10 5 EFBERN COC(=O)c1cc(C)nc(NCC(C)(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000596582349 479347876 /nfs/dbraw/zinc/34/78/76/479347876.db2.gz ISQAWSJNWMVFLO-UHFFFAOYSA-N 0 0 349.309 2.897 10 5 EFBERN CO[C@@H](c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)[C@H]1CCOC1 ZINC000596589366 479349887 /nfs/dbraw/zinc/34/98/87/479349887.db2.gz CQNOKUQNCMNPFF-SWLSCSKDSA-N 0 0 333.344 2.601 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000586777524 479350046 /nfs/dbraw/zinc/35/00/46/479350046.db2.gz QWQZGEONJZHDOY-ZWNOBZJWSA-N 0 0 334.294 2.625 10 5 EFBERN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611334854 479350265 /nfs/dbraw/zinc/35/02/65/479350265.db2.gz QWCGYIVXWLNFPQ-UHFFFAOYSA-N 0 0 343.170 2.907 10 5 EFBERN Cc1nc(-c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)oc1C ZINC000611335014 479350611 /nfs/dbraw/zinc/35/06/11/479350611.db2.gz AOFFCDDLLJVFOS-UHFFFAOYSA-N 0 0 341.327 2.852 10 5 EFBERN COc1cc(Cc2noc([C@H]3CC[C@H](OC)C3)n2)ccc1[N+](=O)[O-] ZINC000596596210 479352306 /nfs/dbraw/zinc/35/23/06/479352306.db2.gz KOZZSVSHKLIBHU-RYUDHWBXSA-N 0 0 333.344 2.860 10 5 EFBERN COc1ccc(CN2Cc3cnn(C)c3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000596598829 479353549 /nfs/dbraw/zinc/35/35/49/479353549.db2.gz LUXJSQWIDMFDBR-UHFFFAOYSA-N 0 0 344.415 2.921 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@@H]1CCCCS1(=O)=O ZINC000593467126 479354506 /nfs/dbraw/zinc/35/45/06/479354506.db2.gz IZTXCVCXDWOVGI-LBPRGKRZSA-N 0 0 335.385 2.522 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000593468482 479355412 /nfs/dbraw/zinc/35/54/12/479355412.db2.gz FWSQIINTSSVTTR-SJKOYZFVSA-N 0 0 329.356 2.893 10 5 EFBERN O=C1C[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)CN1C1CC1 ZINC000593468507 479355505 /nfs/dbraw/zinc/35/55/05/479355505.db2.gz GFDZOMWVARPLEP-NSHDSACASA-N 0 0 326.356 2.566 10 5 EFBERN CS(=O)(=O)[C@@H]1CCCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593469128 479355539 /nfs/dbraw/zinc/35/55/39/479355539.db2.gz LUVFJWAGDMJQCG-CYBMUJFWSA-N 0 0 349.412 2.547 10 5 EFBERN CC[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCOC2)O1 ZINC000593471399 479356137 /nfs/dbraw/zinc/35/61/37/479356137.db2.gz XFSMZTUYBMFGIL-RDTXWAMCSA-N 0 0 343.383 2.917 10 5 EFBERN C[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C1(S(C)(=O)=O)CC1 ZINC000593474294 479357346 /nfs/dbraw/zinc/35/73/46/479357346.db2.gz BMLQKUGLVLXRLU-SNVBAGLBSA-N 0 0 335.385 2.521 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000593474918 479357591 /nfs/dbraw/zinc/35/75/91/479357591.db2.gz DRFYOGLEVAAIOB-WPKBUWHJSA-N 0 0 343.383 2.509 10 5 EFBERN CN(CCCNC(=O)C1CCC1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593472791 479357764 /nfs/dbraw/zinc/35/77/64/479357764.db2.gz NVHRJOXGYJNYOW-UHFFFAOYSA-N 0 0 342.399 2.886 10 5 EFBERN CS(=O)(=O)CCCCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593472003 479357895 /nfs/dbraw/zinc/35/78/95/479357895.db2.gz UYILFGHWKDFSTI-UHFFFAOYSA-N 0 0 337.401 2.770 10 5 EFBERN O=C(C1CC1)N1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593476976 479358441 /nfs/dbraw/zinc/35/84/41/479358441.db2.gz SQZYJIIWYSFPTM-UHFFFAOYSA-N 0 0 340.383 2.592 10 5 EFBERN CC(C)(C)[C@H](O)C[C@@H](CO)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593476383 479358637 /nfs/dbraw/zinc/35/86/37/479358637.db2.gz YBEBFPCUBLPXOS-MEDUHNTESA-N 0 0 333.388 2.713 10 5 EFBERN CC(C)(C)[C@@H](O)C[C@H](CO)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593476382 479358872 /nfs/dbraw/zinc/35/88/72/479358872.db2.gz YBEBFPCUBLPXOS-BZNIZROVSA-N 0 0 333.388 2.713 10 5 EFBERN O=[N+]([O-])c1cnn(CCc2nc(CCc3ccccc3Cl)no2)c1 ZINC000596614774 479359122 /nfs/dbraw/zinc/35/91/22/479359122.db2.gz XSFRXDHTNQZEAS-UHFFFAOYSA-N 0 0 347.762 2.856 10 5 EFBERN CC(C)(CNc1ccnc2cc([N+](=O)[O-])ccc21)[C@@]1(O)CCOC1 ZINC000593478239 479359659 /nfs/dbraw/zinc/35/96/59/479359659.db2.gz KOMPEGPQSVOIEF-QGZVFWFLSA-N 0 0 331.372 2.733 10 5 EFBERN COc1ccc(Cl)c(N2CCN(c3ccncc3[N+](=O)[O-])CC2)c1 ZINC000593481158 479360327 /nfs/dbraw/zinc/36/03/27/479360327.db2.gz XRKLYWXBBMWCFY-UHFFFAOYSA-N 0 0 348.790 2.978 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccnc2NC[C@]2(CO)CCc3ccccc32)c1 ZINC000593483860 479361266 /nfs/dbraw/zinc/36/12/66/479361266.db2.gz KAKKXAQRVDQUND-FQEVSTJZSA-N 0 0 349.390 2.853 10 5 EFBERN CC[C@@H](NC(=O)[C@H]1CCn2cc(C)nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000599635087 479361847 /nfs/dbraw/zinc/36/18/47/479361847.db2.gz MPQGBKLMYOSLKO-GOEBONIOSA-N 0 0 342.399 2.930 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)on1 ZINC000586834233 479361830 /nfs/dbraw/zinc/36/18/30/479361830.db2.gz MWGWAGANNGUFIO-UHFFFAOYSA-N 0 0 347.327 2.919 10 5 EFBERN CC[C@@H](NC(=O)Cn1ccc(C(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000599634862 479361947 /nfs/dbraw/zinc/36/19/47/479361947.db2.gz MINVQQNDTGVEMR-GFCCVEGCSA-N 0 0 338.314 2.996 10 5 EFBERN C[C@@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1ccccc1[N+](=O)[O-] ZINC000611375987 479361952 /nfs/dbraw/zinc/36/19/52/479361952.db2.gz SRTPICSYOVLSLC-CHWSQXEVSA-N 0 0 343.387 2.968 10 5 EFBERN CCC[C@@H](O)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000586835972 479362483 /nfs/dbraw/zinc/36/24/83/479362483.db2.gz PVPXASCQCUNHIH-LLVKDONJSA-N 0 0 331.166 2.847 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@]1(CO)CCc2ccccc21 ZINC000593484815 479362789 /nfs/dbraw/zinc/36/27/89/479362789.db2.gz QTQBEYRGYYIKSO-MRXNPFEDSA-N 0 0 333.775 2.932 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@]1(CO)CCc2ccccc21 ZINC000593484814 479362818 /nfs/dbraw/zinc/36/28/18/479362818.db2.gz QTQBEYRGYYIKSO-INIZCTEOSA-N 0 0 333.775 2.932 10 5 EFBERN O=c1ccc([C@H]2CCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)n[nH]1 ZINC000599640871 479364193 /nfs/dbraw/zinc/36/41/93/479364193.db2.gz ICHSMQKJUFNMIJ-CQSZACIVSA-N 0 0 336.298 2.706 10 5 EFBERN O=c1[nH]cnc2cc(N[C@H](C3CC3)C3CCOCC3)c([N+](=O)[O-])cc21 ZINC000593490278 479364364 /nfs/dbraw/zinc/36/43/64/479364364.db2.gz ACZPEWMOFTUGDN-MRXNPFEDSA-N 0 0 344.371 2.861 10 5 EFBERN COC(=O)[C@](C)(NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599642494 479364905 /nfs/dbraw/zinc/36/49/05/479364905.db2.gz HIYPHBNVXSFMGT-GOSISDBHSA-N 0 0 344.367 2.652 10 5 EFBERN CCN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000593495030 479366360 /nfs/dbraw/zinc/36/63/60/479366360.db2.gz CTXNGYOEHPITPQ-VIFPVBQESA-N 0 0 330.182 2.758 10 5 EFBERN CC(C)(NC(=O)Cn1ccc(C(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000599645096 479366467 /nfs/dbraw/zinc/36/64/67/479366467.db2.gz MMWHELWRRBQAET-UHFFFAOYSA-N 0 0 338.314 2.780 10 5 EFBERN COC(=O)[C@@](C)(NCc1ccn(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000599644673 479366480 /nfs/dbraw/zinc/36/64/80/479366480.db2.gz VYUVAKOOLZVBQD-KRWDZBQOSA-N 0 0 346.387 2.550 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(CC(N)=O)CCCCC1 ZINC000596637967 479366928 /nfs/dbraw/zinc/36/69/28/479366928.db2.gz QACLWASYTSUVAM-UHFFFAOYSA-N 0 0 348.403 2.851 10 5 EFBERN Cc1ccc(NC(=O)NCC2(O)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000596637984 479367011 /nfs/dbraw/zinc/36/70/11/479367011.db2.gz QPIPMFOZHCBDAN-UHFFFAOYSA-N 0 0 343.330 2.965 10 5 EFBERN CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593498220 479367167 /nfs/dbraw/zinc/36/71/67/479367167.db2.gz XJNSEMCSYKBHKE-MRXNPFEDSA-N 0 0 326.368 2.580 10 5 EFBERN C[C@H]1C[C@@H]1c1noc(CC2CCN(c3ccncc3[N+](=O)[O-])CC2)n1 ZINC000593500524 479368240 /nfs/dbraw/zinc/36/82/40/479368240.db2.gz CODGFIBZEWLXOG-AAEUAGOBSA-N 0 0 343.387 2.955 10 5 EFBERN Cc1ccc(NC(=O)NCC2(CC(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000596639652 479368423 /nfs/dbraw/zinc/36/84/23/479368423.db2.gz YMYUKGFIKCBYSW-UHFFFAOYSA-N 0 0 348.403 2.851 10 5 EFBERN C[C@@H]1C[C@H]1c1noc(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000593503247 479368577 /nfs/dbraw/zinc/36/85/77/479368577.db2.gz QXUNVURHHBOHFE-BXUZGUMPSA-N 0 0 343.387 2.955 10 5 EFBERN C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593505143 479369227 /nfs/dbraw/zinc/36/92/27/479369227.db2.gz UEQLJDSZJWBJEK-GFCCVEGCSA-N 0 0 325.368 2.860 10 5 EFBERN COC(=O)c1cnc(N2CCc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000593505166 479369259 /nfs/dbraw/zinc/36/92/59/479369259.db2.gz UHWJVMNGPJXLEA-LBPRGKRZSA-N 0 0 341.367 2.943 10 5 EFBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)N(C)c1ccccc1 ZINC000587216404 479370481 /nfs/dbraw/zinc/37/04/81/479370481.db2.gz OMIUKXLHGVJTCF-LBPRGKRZSA-N 0 0 330.388 2.606 10 5 EFBERN CN(CCCOc1ccc(F)cc1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587197492 479370543 /nfs/dbraw/zinc/37/05/43/479370543.db2.gz YTXWZGBHGOILDZ-UHFFFAOYSA-N 0 0 349.362 2.714 10 5 EFBERN COC(=O)[C@](C)(NCCCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599652972 479371157 /nfs/dbraw/zinc/37/11/57/479371157.db2.gz ODLZCBIZSCZUEE-QGZVFWFLSA-N 0 0 338.404 2.778 10 5 EFBERN Cc1c(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000587426071 479371740 /nfs/dbraw/zinc/37/17/40/479371740.db2.gz ZQJOWPRCNPMIRC-QPUJVOFHSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000587416224 479371918 /nfs/dbraw/zinc/37/19/18/479371918.db2.gz SRXLNZGAIIBEOI-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN Nc1cc(NCCc2ccc3ccccc3n2)cc(CO)c1[N+](=O)[O-] ZINC000587543246 479372582 /nfs/dbraw/zinc/37/25/82/479372582.db2.gz IBCFOJYQMONPIK-UHFFFAOYSA-N 0 0 338.367 2.872 10 5 EFBERN COC(=O)[C@](C)(NCCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000599655046 479372649 /nfs/dbraw/zinc/37/26/49/479372649.db2.gz UZJFVIUUKNEHKK-GOSISDBHSA-N 0 0 343.383 2.519 10 5 EFBERN COC(=O)[C@@](C)(NCCSC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599655824 479373090 /nfs/dbraw/zinc/37/30/90/479373090.db2.gz XQKRYXNWXFHCIL-HNNXBMFYSA-N 0 0 326.418 2.714 10 5 EFBERN COC(=O)[C@](C)(NCc1ccc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000599655888 479373419 /nfs/dbraw/zinc/37/34/19/479373419.db2.gz YMFHFTDHMNQUIH-GOSISDBHSA-N 0 0 343.383 2.785 10 5 EFBERN COC(=O)[C@@](C)(NCCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000599655048 479373461 /nfs/dbraw/zinc/37/34/61/479373461.db2.gz UZJFVIUUKNEHKK-SFHVURJKSA-N 0 0 343.383 2.519 10 5 EFBERN CCc1ccc(CN[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)nc1 ZINC000599656978 479373893 /nfs/dbraw/zinc/37/38/93/479373893.db2.gz ZUYBHYFSTSOZJR-SFHVURJKSA-N 0 0 343.383 2.730 10 5 EFBERN C[C@@H]1CN(c2cc(F)cc(Nc3ccncc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000593518132 479374203 /nfs/dbraw/zinc/37/42/03/479374203.db2.gz HTWPDFQQIZOYLE-TXEJJXNPSA-N 0 0 346.362 2.908 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593520124 479375550 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EFBERN COC(=O)[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671428 479382306 /nfs/dbraw/zinc/38/23/06/479382306.db2.gz YKCNZNBNJOYOFQ-CQSZACIVSA-N 0 0 332.381 2.929 10 5 EFBERN CC(C)OC1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000588005386 479382974 /nfs/dbraw/zinc/38/29/74/479382974.db2.gz FUGRYGIAWAQPMD-UHFFFAOYSA-N 0 0 346.387 2.814 10 5 EFBERN C[C@@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545540 479383318 /nfs/dbraw/zinc/38/33/18/479383318.db2.gz GGXFRVLPGXGLPO-TZMCWYRMSA-N 0 0 347.396 2.557 10 5 EFBERN CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588011384 479383947 /nfs/dbraw/zinc/38/39/47/479383947.db2.gz FAHNZNVLGFZOQO-DYZYQPBXSA-N 0 0 349.362 2.997 10 5 EFBERN Cc1cccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1C ZINC000593547581 479384398 /nfs/dbraw/zinc/38/43/98/479384398.db2.gz WWYJZBYZQKSRKX-GFCCVEGCSA-N 0 0 335.385 2.646 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](OC(F)F)C1 ZINC000588014454 479385073 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334.275 2.894 10 5 EFBERN O=C(N[C@@H]1CCCC1(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000588180257 479403466 /nfs/dbraw/zinc/40/34/66/479403466.db2.gz OPVFORNXNKLOTG-CYBMUJFWSA-N 0 0 336.298 2.698 10 5 EFBERN O=C(N[C@@H]1CCCC1(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000588180761 479403777 /nfs/dbraw/zinc/40/37/77/479403777.db2.gz ZSNDAWPOPPASIJ-CYBMUJFWSA-N 0 0 336.298 2.698 10 5 EFBERN CCOc1ccc(CN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000611525211 479405042 /nfs/dbraw/zinc/40/50/42/479405042.db2.gz NHDFBXYZQQEZLM-UHFFFAOYSA-N 0 0 331.372 2.704 10 5 EFBERN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H](c2ccccc2)O1 ZINC000611525597 479405779 /nfs/dbraw/zinc/40/57/79/479405779.db2.gz NJIARTSBUKEHBK-SJCJKPOMSA-N 0 0 343.383 2.636 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3ncccc23)n1 ZINC000611537712 479408921 /nfs/dbraw/zinc/40/89/21/479408921.db2.gz HCQVCYXOZALGIL-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CC(C)CN(CCc1ccc(F)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611537909 479409084 /nfs/dbraw/zinc/40/90/84/479409084.db2.gz NEIAYOQYNQDJEV-UHFFFAOYSA-N 0 0 348.378 2.808 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC2(C1)CCCO2 ZINC000599731123 479409881 /nfs/dbraw/zinc/40/98/81/479409881.db2.gz JUTVQWYUVNCSBJ-UHFFFAOYSA-N 0 0 343.286 2.593 10 5 EFBERN CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000603631574 479416013 /nfs/dbraw/zinc/41/60/13/479416013.db2.gz ONMMXWCLXCIXKJ-YPMHNXCESA-N 0 0 342.417 2.851 10 5 EFBERN COc1ccc(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000611560781 479416092 /nfs/dbraw/zinc/41/60/92/479416092.db2.gz VJROTROUEHQNJV-INIZCTEOSA-N 0 0 339.355 2.933 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000593666725 479416741 /nfs/dbraw/zinc/41/67/41/479416741.db2.gz QLFKZPYZMPTBLO-CYBMUJFWSA-N 0 0 346.355 2.631 10 5 EFBERN COc1ccc(C(C)(C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1F ZINC000599766512 479418423 /nfs/dbraw/zinc/41/84/23/479418423.db2.gz NVJVXMDJELCVFN-UHFFFAOYSA-N 0 0 348.334 2.616 10 5 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COc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000117775198 525977205 /nfs/dbraw/zinc/97/72/05/525977205.db2.gz YSXWRCAQBAZUPG-UHFFFAOYSA-N 0 0 335.747 2.511 10 5 EFBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151748072 526026179 /nfs/dbraw/zinc/02/61/79/526026179.db2.gz CZOKVCWTVODKPU-SCLBCKFNSA-N 0 0 340.379 2.988 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000089467319 526071376 /nfs/dbraw/zinc/07/13/76/526071376.db2.gz YERQQMJYYLVJGX-AWEZNQCLSA-N 0 0 339.351 2.523 10 5 EFBERN Cc1ccc(C(=O)N2CCC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000118619378 526083291 /nfs/dbraw/zinc/08/32/91/526083291.db2.gz IEGINDAWPZCZCT-UHFFFAOYSA-N 0 0 325.324 2.892 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263004992 526084831 /nfs/dbraw/zinc/08/48/31/526084831.db2.gz PDJKPGHUTWAULT-GGZOMVNGSA-N 0 0 332.278 2.851 10 5 EFBERN COc1cccc(F)c1[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180818379 526124655 /nfs/dbraw/zinc/12/46/55/526124655.db2.gz CFJUHZAGSBOKLC-VIFPVBQESA-N 0 0 333.319 2.816 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000180432021 526222366 /nfs/dbraw/zinc/22/23/66/526222366.db2.gz ZBYUWLXTTCIDCM-UHFFFAOYSA-N 0 0 342.355 2.526 10 5 EFBERN Cc1cc(C(=O)N2CCC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000118619247 526237204 /nfs/dbraw/zinc/23/72/04/526237204.db2.gz ROQOVMVUOBELFF-UHFFFAOYSA-N 0 0 325.324 2.892 10 5 EFBERN O=C(NCCc1cc(F)ccc1F)NCc1ccccc1[N+](=O)[O-] ZINC000177373022 526399367 /nfs/dbraw/zinc/39/93/67/526399367.db2.gz XHMAZVTWKKATTP-UHFFFAOYSA-N 0 0 335.310 2.915 10 5 EFBERN O=C([C@H]1CCCn2ccnc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178681224 526546970 /nfs/dbraw/zinc/54/69/70/526546970.db2.gz DOCHUAGQZWVLGP-HNNXBMFYSA-N 0 0 340.383 2.860 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc[nH]n2)c1 ZINC000151485530 526605040 /nfs/dbraw/zinc/60/50/40/526605040.db2.gz JXYIUOJUUISMNW-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN O=C(NC[C@H]1C[C@H]1c1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181231054 526627172 /nfs/dbraw/zinc/62/71/72/526627172.db2.gz KNMWSMXWMIGMPF-KGLIPLIRSA-N 0 0 340.335 2.857 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000177488369 526759714 /nfs/dbraw/zinc/75/97/14/526759714.db2.gz JUHAAJBXHNZOJX-OAHLLOKOSA-N 0 0 347.396 2.939 10 5 EFBERN O=C(NCc1nc2ccccc2n1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000186004455 526824257 /nfs/dbraw/zinc/82/42/57/526824257.db2.gz QUNNLYVSSWWXCC-UHFFFAOYSA-N 0 0 326.312 2.802 10 5 EFBERN Cc1nc(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)no1 ZINC000183318628 526836347 /nfs/dbraw/zinc/83/63/47/526836347.db2.gz BFXQPPIOJXEJKG-UHFFFAOYSA-N 0 0 332.341 2.773 10 5 EFBERN Cc1sc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000154837761 526870753 /nfs/dbraw/zinc/87/07/53/526870753.db2.gz TVLTUCLHOMXQRO-NSHDSACASA-N 0 0 334.401 2.848 10 5 EFBERN Cc1sc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000135707542 526872365 /nfs/dbraw/zinc/87/23/65/526872365.db2.gz NIMAQDGZDQESIM-GFCCVEGCSA-N 0 0 333.369 2.653 10 5 EFBERN Cc1sc(C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000112019872 526873843 /nfs/dbraw/zinc/87/38/43/526873843.db2.gz PQUHIFCZIGIBMX-SECBINFHSA-N 0 0 333.369 2.722 10 5 EFBERN Cc1sc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1[N+](=O)[O-] ZINC000108885807 526875203 /nfs/dbraw/zinc/87/52/03/526875203.db2.gz UVCXZDBRGBKHHM-UHFFFAOYSA-N 0 0 347.331 2.937 10 5 EFBERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc(F)ccc1[N+](=O)[O-] ZINC000074491204 526887409 /nfs/dbraw/zinc/88/74/09/526887409.db2.gz ZOYIXTKZXFADAI-HIFRSBDPSA-N 0 0 332.335 2.844 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000171640539 526900572 /nfs/dbraw/zinc/90/05/72/526900572.db2.gz LDQWWZRYOZAUDP-GFCCVEGCSA-N 0 0 346.412 2.869 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000074098617 526907565 /nfs/dbraw/zinc/90/75/65/526907565.db2.gz HAXKOUOLMNWTLW-CYBMUJFWSA-N 0 0 333.369 2.877 10 5 EFBERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000245747442 526984015 /nfs/dbraw/zinc/98/40/15/526984015.db2.gz CUYXTUAUIOSPNG-LERXQTSPSA-N 0 0 336.775 2.936 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000067047015 526995777 /nfs/dbraw/zinc/99/57/77/526995777.db2.gz ZEAYZGQQNXASFG-GFCCVEGCSA-N 0 0 347.396 2.836 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178541088 527085499 /nfs/dbraw/zinc/08/54/99/527085499.db2.gz OXYWOWDUNFVDRC-ZFWWWQNUSA-N 0 0 332.743 2.636 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159732121 527086269 /nfs/dbraw/zinc/08/62/69/527086269.db2.gz VASRBZHDFKHFNB-UHFFFAOYSA-N 0 0 344.346 2.555 10 5 EFBERN O=C1[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000153746242 527115829 /nfs/dbraw/zinc/11/58/29/527115829.db2.gz BGCMKUSKSVFXEX-GFCCVEGCSA-N 0 0 332.747 2.861 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000074098506 527243461 /nfs/dbraw/zinc/24/34/61/527243461.db2.gz MUACRKCNCYJQTJ-QGZVFWFLSA-N 0 0 341.367 2.745 10 5 EFBERN Cn1cc([C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)cn1 ZINC000121525122 527299644 /nfs/dbraw/zinc/29/96/44/527299644.db2.gz IOPWHIDKNBPPKN-SNVBAGLBSA-N 0 0 334.763 2.611 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161414762 527312835 /nfs/dbraw/zinc/31/28/35/527312835.db2.gz BARUBWWDAAFZGZ-ZDUSSCGKSA-N 0 0 333.369 2.573 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000193279757 527313126 /nfs/dbraw/zinc/31/31/26/527313126.db2.gz MAXCTLITQSSQIA-INIZCTEOSA-N 0 0 327.340 2.512 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000192825834 527313320 /nfs/dbraw/zinc/31/33/20/527313320.db2.gz VVEVTABATQLWNU-UHFFFAOYSA-N 0 0 336.351 2.978 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000139873342 527313643 /nfs/dbraw/zinc/31/36/43/527313643.db2.gz GAERYKYDPQNMAT-YVEFUNNKSA-N 0 0 341.367 2.900 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000128302409 527314243 /nfs/dbraw/zinc/31/42/43/527314243.db2.gz WGSXJKDZLHSONU-NHYWBVRUSA-N 0 0 327.340 2.593 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CCCC2)nn1C ZINC000182320246 527314251 /nfs/dbraw/zinc/31/42/51/527314251.db2.gz DXLKBGKTZFGCNG-UHFFFAOYSA-N 0 0 329.360 2.942 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC1CCN(c2ncccn2)CC1 ZINC000153585874 527335285 /nfs/dbraw/zinc/33/52/85/527335285.db2.gz GZUGTYIVEVADDV-UHFFFAOYSA-N 0 0 334.767 2.514 10 5 EFBERN O=[N+]([O-])c1ccc(OCCCN2CCO[C@H](c3nccs3)C2)cc1 ZINC000195521858 527371073 /nfs/dbraw/zinc/37/10/73/527371073.db2.gz RLVPOUFAOVMFAU-HNNXBMFYSA-N 0 0 349.412 2.894 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000153650333 527373399 /nfs/dbraw/zinc/37/33/99/527373399.db2.gz ZJKOKPQKGHYUQY-MRXNPFEDSA-N 0 0 343.339 2.906 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)C2)s1 ZINC000119988424 527374949 /nfs/dbraw/zinc/37/49/49/527374949.db2.gz NCMFRMAUCSKGQI-GFCCVEGCSA-N 0 0 338.410 2.835 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)C2)s1 ZINC000119988550 527375989 /nfs/dbraw/zinc/37/59/89/527375989.db2.gz NCMFRMAUCSKGQI-LBPRGKRZSA-N 0 0 338.410 2.835 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3CC(O)(c4ccc(F)cc4)C3)ccc2c1 ZINC000192786091 527380402 /nfs/dbraw/zinc/38/04/02/527380402.db2.gz JMIZMZJRFQTFTC-UHFFFAOYSA-N 0 0 339.326 2.990 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](Oc4cccnc4)C3)nc2c1 ZINC000152225933 527381534 /nfs/dbraw/zinc/38/15/34/527381534.db2.gz PDYLIOZRDBDDRO-CQSZACIVSA-N 0 0 340.339 2.784 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000153939248 527387728 /nfs/dbraw/zinc/38/77/28/527387728.db2.gz ZEQPVJVFFFLMLB-CQSZACIVSA-N 0 0 336.369 2.855 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2nccs2)c1 ZINC000074909596 527393182 /nfs/dbraw/zinc/39/31/82/527393182.db2.gz VFEDXJGURVIBGV-LBPRGKRZSA-N 0 0 339.398 2.577 10 5 EFBERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000177190733 527441988 /nfs/dbraw/zinc/44/19/88/527441988.db2.gz JMAHZMXJEABSDE-ZDUSSCGKSA-N 0 0 332.335 2.544 10 5 EFBERN O=c1c([N+](=O)[O-])c(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)nc2ccccn21 ZINC000154354364 527453972 /nfs/dbraw/zinc/45/39/72/527453972.db2.gz DTLVTYVDPWPLKT-NUEKZKHPSA-N 0 0 348.362 2.743 10 5 EFBERN CC(C)C(=O)N1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153568861 527467130 /nfs/dbraw/zinc/46/71/30/527467130.db2.gz QADYSGOSSATQTH-UHFFFAOYSA-N 0 0 326.784 2.702 10 5 EFBERN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000193527111 527501603 /nfs/dbraw/zinc/50/16/03/527501603.db2.gz RYTPJXRGNLZBPD-CQSZACIVSA-N 0 0 344.346 2.529 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184328985 527522474 /nfs/dbraw/zinc/52/24/74/527522474.db2.gz SGILAXIYTWJGBO-UHFFFAOYSA-N 0 0 349.350 2.564 10 5 EFBERN O=C(Nc1nccs1)[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000074314435 527526419 /nfs/dbraw/zinc/52/64/19/527526419.db2.gz LSCGSWLKQKUHQC-AWEZNQCLSA-N 0 0 346.412 2.697 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000184113796 527526920 /nfs/dbraw/zinc/52/69/20/527526920.db2.gz TXQZQUVHPIQSBN-HRBBJJPOSA-N 0 0 338.429 2.662 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000185040632 527526981 /nfs/dbraw/zinc/52/69/81/527526981.db2.gz OBAKTKNRDCUBMM-IIANPFDCSA-N 0 0 334.372 2.845 10 5 EFBERN O=C(Nc1nccs1)[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000074314433 527527615 /nfs/dbraw/zinc/52/76/15/527527615.db2.gz LSCGSWLKQKUHQC-CQSZACIVSA-N 0 0 346.412 2.697 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000180550268 527565479 /nfs/dbraw/zinc/56/54/79/527565479.db2.gz YUKOIJABOYPRNN-ZDUSSCGKSA-N 0 0 344.346 2.558 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000180546474 527567484 /nfs/dbraw/zinc/56/74/84/527567484.db2.gz UTUDVIZAXBXABV-CYBMUJFWSA-N 0 0 332.747 2.643 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176517732 527660511 /nfs/dbraw/zinc/66/05/11/527660511.db2.gz IJPPSQHMCVHHFN-ZDUSSCGKSA-N 0 0 343.387 2.505 10 5 EFBERN CC(C)CC[C@@](C)(O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000174478255 527830911 /nfs/dbraw/zinc/83/09/11/527830911.db2.gz HCXUJXXLKAVLKS-MRXNPFEDSA-N 0 0 340.445 2.990 10 5 EFBERN CC(C)c1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189889895 528065447 /nfs/dbraw/zinc/06/54/47/528065447.db2.gz OCWFQVUREGAEMG-AWEZNQCLSA-N 0 0 346.305 2.858 10 5 EFBERN CCC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000183649862 528206947 /nfs/dbraw/zinc/20/69/47/528206947.db2.gz PCIGZBWJAFUIRU-JTQLQIEISA-N 0 0 328.390 2.897 10 5 EFBERN CC(C)C[C@@H](CO)N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000187116271 528336427 /nfs/dbraw/zinc/33/64/27/528336427.db2.gz SMLAPHQNJRIDDJ-OCCSQVGLSA-N 0 0 340.445 2.941 10 5 EFBERN CC(C)C[C@H](CO)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000187116329 528540568 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ZINC001127987418 1258089315 /nfs/dbraw/zinc/08/93/15/1258089315.db2.gz PNKWQLMDDNHGOX-QGZVFWFLSA-N 0 0 345.307 2.739 10 5 EFBERN O=C(Nc1cc(F)c(F)c(F)c1F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001649095508 1258361984 /nfs/dbraw/zinc/36/19/84/1258361984.db2.gz NTUIOJLSSWRNLW-UHFFFAOYSA-N 0 0 331.181 2.504 10 5 EFBERN CC1(C)C[C@@]1(C)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001687464683 1258415432 /nfs/dbraw/zinc/41/54/32/1258415432.db2.gz QHZJEQNUKQSIIY-SFHVURJKSA-N 0 0 346.431 2.863 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1ccc(CO)cc1 ZINC001137814950 1258468165 /nfs/dbraw/zinc/46/81/65/1258468165.db2.gz SZNIFAUIDPOTNE-UHFFFAOYSA-N 0 0 332.331 2.507 10 5 EFBERN Cc1c(CNC(=O)c2ccc(OC(F)F)nc2)cccc1[N+](=O)[O-] ZINC001128004984 1258574098 /nfs/dbraw/zinc/57/40/98/1258574098.db2.gz PTIGCACOTONSRC-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN Cn1ccnc1[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903259531 1260006334 /nfs/dbraw/zinc/00/63/34/1260006334.db2.gz FHXVFFMQXSZIPS-IKGGRYGDSA-N 0 0 342.399 2.575 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000843417343 1260168784 /nfs/dbraw/zinc/16/87/84/1260168784.db2.gz BTZOAGQZIKHFMK-CQSZACIVSA-N 0 0 328.821 2.956 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OC[C@@H]1CCC2(COC2)O1 ZINC000922580816 1266315615 /nfs/dbraw/zinc/31/56/15/1266315615.db2.gz FHEBVZZGHPFPSN-ZDUSSCGKSA-N 0 0 335.356 2.625 10 5 EFBERN O=C(Nn1cnnc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001137842159 1260362013 /nfs/dbraw/zinc/36/20/13/1260362013.db2.gz KEISXSHXGQWTTC-UHFFFAOYSA-N 0 0 341.352 2.721 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC2(CCC2)O1 ZINC000921680632 1260459107 /nfs/dbraw/zinc/45/91/07/1260459107.db2.gz LLYMTTAHRRCAGO-MRXNPFEDSA-N 0 0 347.415 2.928 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCS[C@H](C)C2)cc1C ZINC000921715448 1261260537 /nfs/dbraw/zinc/26/05/37/1261260537.db2.gz IQIIMFRAGUPGOR-NEPJUHHUSA-N 0 0 344.458 2.774 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCS[C@H](C)C2)cc1F ZINC000921715835 1261263331 /nfs/dbraw/zinc/26/33/31/1261263331.db2.gz UASVKBDHHNVMQH-NXEZZACHSA-N 0 0 348.421 2.605 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H]2CCS[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000921716037 1261263805 /nfs/dbraw/zinc/26/38/05/1261263805.db2.gz VGPXGANEJYEYQI-RYUDHWBXSA-N 0 0 344.458 2.774 10 5 EFBERN CCc1ccc(S(=O)(=O)N[C@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000921716011 1261264187 /nfs/dbraw/zinc/26/41/87/1261264187.db2.gz UXDVSTHVMFADPY-PWSUYJOCSA-N 0 0 344.458 2.720 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000791439815 1278105452 /nfs/dbraw/zinc/10/54/52/1278105452.db2.gz PEXLARQNSZWQDF-UHFFFAOYSA-N 0 0 347.331 2.636 10 5 EFBERN CN(CCNC(=O)c1ccc(F)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC001487400489 1261841424 /nfs/dbraw/zinc/84/14/24/1261841424.db2.gz FMADRPBABUQCMY-UHFFFAOYSA-N 0 0 341.339 2.801 10 5 EFBERN Cc1ccnc(N(C)CCNC(=O)[C@H]2CC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001487401432 1261841892 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O=[N+]([O-])c1cnc(N2CCC[C@](O)(c3ccc(Cl)cc3)C2)nc1 ZINC000845622465 1279742883 /nfs/dbraw/zinc/74/28/83/1279742883.db2.gz FBASCNIGFASNHW-OAHLLOKOSA-N 0 0 334.763 2.526 10 5 EFBERN COc1ccc(COC(=O)c2sc3nccn3c2C)cc1[N+](=O)[O-] ZINC000815227993 1287372987 /nfs/dbraw/zinc/37/29/87/1287372987.db2.gz NRQHUPZUBIGFKT-UHFFFAOYSA-N 0 0 347.352 2.978 10 5 EFBERN COC(=O)c1cnc(NCC[C@@]2(C)C[C@]2(F)Cl)c([N+](=O)[O-])c1 ZINC000845652705 1279769894 /nfs/dbraw/zinc/76/98/94/1279769894.db2.gz RWERUAHVNFVPCQ-QWHCGFSZSA-N 0 0 331.731 2.893 10 5 EFBERN O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1cocn1)CC2 ZINC000793617987 1279776029 /nfs/dbraw/zinc/77/60/29/1279776029.db2.gz ZLSGKEJGTLIQLC-UHFFFAOYSA-N 0 0 338.161 2.904 10 5 EFBERN CCON(C)C(=O)CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000845717569 1279793776 /nfs/dbraw/zinc/79/37/76/1279793776.db2.gz GOULTPOYWYAOFC-UHFFFAOYSA-N 0 0 336.373 2.540 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000845742725 1279813030 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EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cnc(Cl)s1 ZINC000811841070 1284675275 /nfs/dbraw/zinc/67/52/75/1284675275.db2.gz NBHYVCZCHBXXKV-UHFFFAOYSA-N 0 0 347.805 2.720 10 5 EFBERN O=C(N[C@H]1CCOCC12CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001135195873 1287743346 /nfs/dbraw/zinc/74/33/46/1287743346.db2.gz GYWATQLUESHQQB-AWEZNQCLSA-N 0 0 349.343 2.582 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnc1C ZINC001135199059 1287747219 /nfs/dbraw/zinc/74/72/19/1287747219.db2.gz ZGSVUFQNPUPZRN-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC(c2cnc3ccccc3n2)C1 ZINC000952992612 1284970083 /nfs/dbraw/zinc/97/00/83/1284970083.db2.gz PZYSVKKJOUKWCH-UHFFFAOYSA-N 0 0 338.371 2.667 10 5 EFBERN C[C@]1(c2ccc(F)cc2)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000812219416 1284971466 /nfs/dbraw/zinc/97/14/66/1284971466.db2.gz HIOVZJXSYRLISB-MRXNPFEDSA-N 0 0 329.287 2.706 10 5 EFBERN Cn1nc2c(c1CNC(=S)Nc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000812259455 1285029204 /nfs/dbraw/zinc/02/92/04/1285029204.db2.gz VGYAUALCNANGQI-UHFFFAOYSA-N 0 0 345.428 2.694 10 5 EFBERN C=C/C=C\CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001133264103 1285081696 /nfs/dbraw/zinc/08/16/96/1285081696.db2.gz NNKFCUDTDVBKRI-ARJAWSKDSA-N 0 0 345.355 2.531 10 5 EFBERN Cc1cc(N2CCO[C@@H](c3noc(C4CC4)n3)C2)c(F)cc1[N+](=O)[O-] ZINC000812457079 1285155100 /nfs/dbraw/zinc/15/51/00/1285155100.db2.gz BXPITSLUDGDIMK-CQSZACIVSA-N 0 0 348.334 2.881 10 5 EFBERN C/C(=C\C(=O)N1CC[C@H](n2cccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000812560274 1285246542 /nfs/dbraw/zinc/24/65/42/1285246542.db2.gz CXCRDLRVSIOKDO-BYIUCRAPSA-N 0 0 326.356 2.668 10 5 EFBERN O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1CC(F)(F)F ZINC000812685144 1285348873 /nfs/dbraw/zinc/34/88/73/1285348873.db2.gz WQGCGTPADRHHDS-GFCCVEGCSA-N 0 0 332.278 2.665 10 5 EFBERN C[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001133420637 1285386920 /nfs/dbraw/zinc/38/69/20/1285386920.db2.gz JCPHSVUNMMMKME-LLVKDONJSA-N 0 0 337.376 2.639 10 5 EFBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133420730 1285387210 /nfs/dbraw/zinc/38/72/10/1285387210.db2.gz NHAMPUHIVWIERQ-LLVKDONJSA-N 0 0 345.311 2.759 10 5 EFBERN COc1ccc(OC(=O)[C@H]2CCCN2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000812829130 1285457494 /nfs/dbraw/zinc/45/74/94/1285457494.db2.gz QMSVTETYWYTHAF-SNVBAGLBSA-N 0 0 348.277 2.536 10 5 EFBERN COc1cc(C(=O)Nc2nc3ccccc3n2C)c([N+](=O)[O-])cc1F ZINC001133478046 1285475666 /nfs/dbraw/zinc/47/56/66/1285475666.db2.gz ACPOYGKFDZMXHJ-UHFFFAOYSA-N 0 0 344.302 2.882 10 5 EFBERN Cc1ccc([C@H](C)C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC001171450832 1285503226 /nfs/dbraw/zinc/50/32/26/1285503226.db2.gz JFLKYZODOZQEKM-SJCJKPOMSA-N 0 0 332.356 2.624 10 5 EFBERN Cc1cc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC001133521176 1285538977 /nfs/dbraw/zinc/53/89/77/1285538977.db2.gz VNMYFYJXRPWTPW-CYBMUJFWSA-N 0 0 349.387 2.642 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3noc(C)n3)C2)c1 ZINC001133527218 1285560036 /nfs/dbraw/zinc/56/00/36/1285560036.db2.gz GEILXUZBBSTIBP-JTQLQIEISA-N 0 0 348.384 2.638 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)no1 ZINC001133527621 1285561948 /nfs/dbraw/zinc/56/19/48/1285561948.db2.gz NLPGDICDSBAVQU-VIFPVBQESA-N 0 0 336.735 2.569 10 5 EFBERN COc1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])ccc1OCCC(C)C ZINC000813102604 1285655227 /nfs/dbraw/zinc/65/52/27/1285655227.db2.gz SWHWLAIZJKRNKW-GFCCVEGCSA-N 0 0 325.361 2.942 10 5 EFBERN CC(=O)c1cc(COC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000813136574 1285670299 /nfs/dbraw/zinc/67/02/99/1285670299.db2.gz PIDGCYMEFIOQEW-YFHOEESVSA-N 0 0 330.296 2.932 10 5 EFBERN C[C@H](COC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813105236 1285676435 /nfs/dbraw/zinc/67/64/35/1285676435.db2.gz KXHOSCSBYPVNJP-IEBDPFPHSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@H](COC(=O)c1ccccc1OCCOc1ccccc1)[N+](=O)[O-] ZINC000813106159 1285678266 /nfs/dbraw/zinc/67/82/66/1285678266.db2.gz ZPSSDULEZCBDEE-CQSZACIVSA-N 0 0 345.351 2.966 10 5 EFBERN C[C@@H](COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)[N+](=O)[O-] ZINC000813106601 1285678529 /nfs/dbraw/zinc/67/85/29/1285678529.db2.gz FBOFGGZGNZHMRN-VIFPVBQESA-N 0 0 343.261 2.713 10 5 EFBERN C[C@H](COC(=O)CSCc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813106143 1285678762 /nfs/dbraw/zinc/67/87/62/1285678762.db2.gz ZILTXYPAVRKLGK-SECBINFHSA-N 0 0 348.218 2.891 10 5 EFBERN C[C@@H](COC(=O)c1ccccc1OCCOc1ccccc1)[N+](=O)[O-] ZINC000813106158 1285679339 /nfs/dbraw/zinc/67/93/39/1285679339.db2.gz ZPSSDULEZCBDEE-AWEZNQCLSA-N 0 0 345.351 2.966 10 5 EFBERN C[C@@H](COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813109321 1285682150 /nfs/dbraw/zinc/68/21/50/1285682150.db2.gz IAMUPBBRDLXANA-KPXOXKRLSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@H](COC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813110548 1285682241 /nfs/dbraw/zinc/68/22/41/1285682241.db2.gz DDMMVCNOSUCRIG-SECBINFHSA-N 0 0 343.261 2.713 10 5 EFBERN O=C(CCC(F)F)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172657 1285704168 /nfs/dbraw/zinc/70/41/68/1285704168.db2.gz PSLMGDPARHQUDD-ZDUSSCGKSA-N 0 0 328.315 2.758 10 5 EFBERN CCOC1CC(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000813171615 1285704264 /nfs/dbraw/zinc/70/42/64/1285704264.db2.gz NDGQVYYXKPVSBO-WIHSUSGWSA-N 0 0 348.399 2.527 10 5 EFBERN Cc1c(C(=O)NC[C@H]2CC3(CCC3)CO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001133638261 1285712313 /nfs/dbraw/zinc/71/23/13/1285712313.db2.gz VUHKSRUCMVILPZ-GFCCVEGCSA-N 0 0 349.343 2.500 10 5 EFBERN CS(=O)(=O)c1ccc(C(=O)OCCCCC2CC2)cc1[N+](=O)[O-] ZINC000813181564 1285712786 /nfs/dbraw/zinc/71/27/86/1285712786.db2.gz OMONLKJYVFFCLK-UHFFFAOYSA-N 0 0 341.385 2.735 10 5 EFBERN Cc1cc(C2CC2)nc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000813253237 1285762362 /nfs/dbraw/zinc/76/23/62/1285762362.db2.gz IYDOSNZKOCRYOX-UHFFFAOYSA-N 0 0 346.318 2.727 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]([C@H]4CCOC4)C3)cc2N1 ZINC000747842973 1285771206 /nfs/dbraw/zinc/77/12/06/1285771206.db2.gz DVACSTPYNXCUDE-KBPBESRZSA-N 0 0 345.399 2.732 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000813291542 1285775404 /nfs/dbraw/zinc/77/54/04/1285775404.db2.gz SEJDRKURIGSIDM-UHFFFAOYSA-N 0 0 333.304 2.534 10 5 EFBERN COC(=O)CN(Cc1cc([N+](=O)[O-])ccc1OC)C1CCCCC1 ZINC001171853800 1285855934 /nfs/dbraw/zinc/85/59/34/1285855934.db2.gz IJGZXWDHVMDOCN-UHFFFAOYSA-N 0 0 336.388 2.911 10 5 EFBERN CC(C)c1nc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001179092599 1289038018 /nfs/dbraw/zinc/03/80/18/1289038018.db2.gz RMDBOYHLRKYVAM-UHFFFAOYSA-N 0 0 338.314 2.850 10 5 EFBERN COc1ccc([S@](C)(=O)=NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001133779836 1285918451 /nfs/dbraw/zinc/91/84/51/1285918451.db2.gz GCDUGDRTRSFDPE-DEOSSOPVSA-N 0 0 348.380 2.829 10 5 EFBERN O=C(NCc1cscc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001133822486 1285979822 /nfs/dbraw/zinc/97/98/22/1285979822.db2.gz AYSAAKRBOCZACA-UHFFFAOYSA-N 0 0 340.744 2.968 10 5 EFBERN O=c1c2ccccc2n(Cc2cnn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000813578879 1285997379 /nfs/dbraw/zinc/99/73/79/1285997379.db2.gz JXAQEVVYYCRWTL-UHFFFAOYSA-N 0 0 347.334 2.539 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1cccnc1-n1ccnc1 ZINC000813584367 1286000955 /nfs/dbraw/zinc/00/09/55/1286000955.db2.gz BFOIKZWIWFUZBK-UHFFFAOYSA-N 0 0 346.350 2.758 10 5 EFBERN COCC1(CNc2cc(OC)cc(F)c2[N+](=O)[O-])CCOCC1 ZINC000813611360 1286023102 /nfs/dbraw/zinc/02/31/02/1286023102.db2.gz TWLSGJDPPVHEIY-UHFFFAOYSA-N 0 0 328.340 2.598 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnn(C(C)C)n1 ZINC001133910649 1286096758 /nfs/dbraw/zinc/09/67/58/1286096758.db2.gz IFDXCNYAEAIODN-UHFFFAOYSA-N 0 0 336.377 2.527 10 5 EFBERN CCC/C=C\COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000813910734 1286182161 /nfs/dbraw/zinc/18/21/61/1286182161.db2.gz FGCPDXWIUKXMIB-PLNGDYQASA-N 0 0 334.372 2.945 10 5 EFBERN CCC/C=C\COC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000813913319 1286183520 /nfs/dbraw/zinc/18/35/20/1286183520.db2.gz SEJUMPDDJSUHGY-PLNGDYQASA-N 0 0 334.372 2.945 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCC[C@H]1CCCCC1=O ZINC000813963018 1286208603 /nfs/dbraw/zinc/20/86/03/1286208603.db2.gz QNHSIQMEAVFTHC-CYBMUJFWSA-N 0 0 337.376 2.573 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nccnc1C1CC1 ZINC001134032139 1286236005 /nfs/dbraw/zinc/23/60/05/1286236005.db2.gz NSICQXUVZHESEN-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN COC(=O)[C@@H](CCSC)OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000814026905 1286246312 /nfs/dbraw/zinc/24/63/12/1286246312.db2.gz BTZOARYEGVISNW-ZWNOBZJWSA-N 0 0 341.385 2.536 10 5 EFBERN COC(=O)[C@@H](CCSC)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000814027471 1286247705 /nfs/dbraw/zinc/24/77/05/1286247705.db2.gz LTNISDCWQUXEFE-LLVKDONJSA-N 0 0 347.776 2.700 10 5 EFBERN COC(=O)[C@H](CCSC)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000814027473 1286247965 /nfs/dbraw/zinc/24/79/65/1286247965.db2.gz LTNISDCWQUXEFE-NSHDSACASA-N 0 0 347.776 2.700 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814034154 1286254043 /nfs/dbraw/zinc/25/40/43/1286254043.db2.gz HHURYKWNVAUUEC-SECBINFHSA-N 0 0 328.346 2.919 10 5 EFBERN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-])O[C@H](C)C2 ZINC000814037431 1286269212 /nfs/dbraw/zinc/26/92/12/1286269212.db2.gz ADXJQQQTQWMPGC-ZSEWYUTFSA-N 0 0 349.383 2.721 10 5 EFBERN Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-])c(Br)c1 ZINC000814037784 1286269604 /nfs/dbraw/zinc/26/96/04/1286269604.db2.gz GMUZYXPVVRUZOJ-UWVGGRQHSA-N 0 0 346.177 2.733 10 5 EFBERN CCOc1cc2c(cc1/C=C\C(=O)O[C@H](C)C[N+](=O)[O-])O[C@@H](C)C2 ZINC000814042972 1286272999 /nfs/dbraw/zinc/27/29/99/1286272999.db2.gz RFZDYVXCQUOBJZ-ABZJQCSKSA-N 0 0 335.356 2.630 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)CCSc1nc2ccccc2s1 ZINC000814042073 1286273410 /nfs/dbraw/zinc/27/34/10/1286273410.db2.gz YGFOVAQJKXDVAY-SECBINFHSA-N 0 0 326.399 2.987 10 5 EFBERN CCCc1c(C(=O)O[C@H](C)C[N+](=O)[O-])cnn1-c1ccccc1C ZINC000814045723 1286274160 /nfs/dbraw/zinc/27/41/60/1286274160.db2.gz YHKBFKFLBVARNJ-CYBMUJFWSA-N 0 0 331.372 2.955 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(C(C)C)nc2ccccn21 ZINC001134046182 1286274426 /nfs/dbraw/zinc/27/44/26/1286274426.db2.gz MZAWQCBCEJJCDV-UHFFFAOYSA-N 0 0 342.359 2.510 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000814046863 1286275783 /nfs/dbraw/zinc/27/57/83/1286275783.db2.gz PHORBVZWIBJOQA-SECBINFHSA-N 0 0 328.162 2.689 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000814046032 1286276320 /nfs/dbraw/zinc/27/63/20/1286276320.db2.gz ARSAWGWPWZBKQQ-VIFPVBQESA-N 0 0 343.261 2.713 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000814048834 1286276369 /nfs/dbraw/zinc/27/63/69/1286276369.db2.gz XFGAACNJWBODMX-LLVKDONJSA-N 0 0 327.764 2.597 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC000814047993 1286276465 /nfs/dbraw/zinc/27/64/65/1286276465.db2.gz QGSNLMUMHGNKBG-GFCCVEGCSA-N 0 0 336.388 2.627 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)c1cccnc1OCc1ccccc1F ZINC000814050402 1286277586 /nfs/dbraw/zinc/27/75/86/1286277586.db2.gz WYQCESJAAGUSKY-LLVKDONJSA-N 0 0 334.303 2.622 10 5 EFBERN Cc1nc(SC(F)F)sc1CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814050408 1286277741 /nfs/dbraw/zinc/27/77/41/1286277741.db2.gz WZLSRKMNSGSBQN-RXMQYKEDSA-N 0 0 326.346 2.517 10 5 EFBERN Cc1ncoc1COC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000814098102 1286314067 /nfs/dbraw/zinc/31/40/67/1286314067.db2.gz GKAKPSHKGKCBQV-UHFFFAOYSA-N 0 0 342.311 2.649 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC001134080332 1286315729 /nfs/dbraw/zinc/31/57/29/1286315729.db2.gz YRDWVUQJQBJKRF-UHFFFAOYSA-N 0 0 340.335 2.974 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3ccco3)n2)c1C ZINC001134127934 1286354871 /nfs/dbraw/zinc/35/48/71/1286354871.db2.gz FROIULPFAATVGO-UHFFFAOYSA-N 0 0 327.300 2.842 10 5 EFBERN CC(C)n1nnc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC001134128751 1286355493 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EFBERN Cc1ccccc1CCC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001134357877 1286590553 /nfs/dbraw/zinc/59/05/53/1286590553.db2.gz CKIABLOHHIIOHY-UHFFFAOYSA-N 0 0 327.340 2.573 10 5 EFBERN CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC001134358402 1286590742 /nfs/dbraw/zinc/59/07/42/1286590742.db2.gz YIEOKGRHNDHUCT-CYBMUJFWSA-N 0 0 327.340 2.826 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC001134446898 1286727248 /nfs/dbraw/zinc/72/72/48/1286727248.db2.gz PVASPQVZMZPSGZ-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC2(CCC2)C1 ZINC001150288696 1286831829 /nfs/dbraw/zinc/83/18/29/1286831829.db2.gz CRERKYNLMJYKLM-UHFFFAOYSA-N 0 0 327.340 2.534 10 5 EFBERN O=C(NC[C@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001134599124 1286960846 /nfs/dbraw/zinc/96/08/46/1286960846.db2.gz LLKGLYOPRHAWCQ-CQSZACIVSA-N 0 0 349.343 2.725 10 5 EFBERN CCO[C@]12CCC[C@@]1(NC(=O)c1cc(C)ccc1[N+](=O)[O-])CCO2 ZINC001134618812 1286975281 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2.919 10 5 EFBERN O=C(NCc1cc(=O)c(O)co1)c1cc2ccccc2c2cccnc12 ZINC001179886841 1289307764 /nfs/dbraw/zinc/30/77/64/1289307764.db2.gz YIXDTJNRBWQRRP-UHFFFAOYSA-N 0 0 346.342 2.977 10 5 EFBERN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136748596 1289379371 /nfs/dbraw/zinc/37/93/71/1289379371.db2.gz RZEKDXDJGVMODF-CYBMUJFWSA-N 0 0 348.790 2.977 10 5 EFBERN CCc1[nH]n(C)c2nnc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)c1-2 ZINC001136748706 1289380056 /nfs/dbraw/zinc/38/00/56/1289380056.db2.gz VVDNVBZOKLNSLG-UHFFFAOYSA-N 0 0 342.359 2.636 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC/C=C\Cl ZINC001180077788 1289408558 /nfs/dbraw/zinc/40/85/58/1289408558.db2.gz BAIJLQYRTZAOJB-IHWYPQMZSA-N 0 0 332.143 2.689 10 5 EFBERN Cc1cc(Cl)c(C(=O)N(C)C[C@@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC001180216500 1289448580 /nfs/dbraw/zinc/44/85/80/1289448580.db2.gz GJDFYKUKLOOKCS-OAHLLOKOSA-N 0 0 349.774 2.757 10 5 EFBERN CC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000872919556 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2.575 10 5 EFBERN CCOc1ccc([C@@H](C)NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000824187458 1289550197 /nfs/dbraw/zinc/55/01/97/1289550197.db2.gz HSKBGECGWQUIJT-PXAZEXFGSA-N 0 0 344.367 2.904 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001180764252 1289623728 /nfs/dbraw/zinc/62/37/28/1289623728.db2.gz BZRHDXHSIFKHGL-CHWSQXEVSA-N 0 0 337.339 2.917 10 5 EFBERN Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001180964726 1289666564 /nfs/dbraw/zinc/66/65/64/1289666564.db2.gz VQFZAINOMIJZLE-TXEJJXNPSA-N 0 0 349.387 2.689 10 5 EFBERN Cc1cc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)cc([N+](=O)[O-])c1 ZINC001181021388 1289679334 /nfs/dbraw/zinc/67/93/34/1289679334.db2.gz CDXYSHYJGXREOB-LBPRGKRZSA-N 0 0 333.388 2.927 10 5 EFBERN CC(C)(C)OC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CCCC1 ZINC001136895769 1289696004 /nfs/dbraw/zinc/69/60/04/1289696004.db2.gz NEASWUBACPNVBZ-UHFFFAOYSA-N 0 0 349.387 2.561 10 5 EFBERN CC(C)CCCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001136898790 1289703644 /nfs/dbraw/zinc/70/36/44/1289703644.db2.gz YRFQNNSJIHESDU-UHFFFAOYSA-N 0 0 336.392 2.659 10 5 EFBERN CO[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001166130715 1312734773 /nfs/dbraw/zinc/73/47/73/1312734773.db2.gz HUOKRUHSUZCEJZ-OAHLLOKOSA-N 0 0 339.344 2.895 10 5 EFBERN COC(=O)[C@@H]1CC[C@@H]1C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000873504579 1289879297 /nfs/dbraw/zinc/87/92/97/1289879297.db2.gz JAVOEHHUJHMWPY-BDAKNGLRSA-N 0 0 327.720 2.661 10 5 EFBERN COc1cc(OC)cc(C2(C(=O)OCCC[N+](=O)[O-])CCCC2)c1 ZINC000873547396 1289913023 /nfs/dbraw/zinc/91/30/23/1289913023.db2.gz BBZXVSWMXWNOQN-UHFFFAOYSA-N 0 0 337.372 2.726 10 5 EFBERN CC(C)(C)[C@H]1C[C@@H](OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000873569065 1289931757 /nfs/dbraw/zinc/93/17/57/1289931757.db2.gz BGLUMEDLMOVEIL-QWHCGFSZSA-N 0 0 339.392 2.663 10 5 EFBERN O=C(OC[C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000873611549 1289965767 /nfs/dbraw/zinc/96/57/67/1289965767.db2.gz 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ZINC001234024633 1313039450 /nfs/dbraw/zinc/03/94/50/1313039450.db2.gz NJCUPRXBGMIYIK-CYBMUJFWSA-N 0 0 332.404 2.886 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C(F)F ZINC000800205626 1293957892 /nfs/dbraw/zinc/95/78/92/1293957892.db2.gz LHNFSABPRFDIKO-CYBMUJFWSA-N 0 0 327.331 2.921 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCc1nc(Cc2cccc(C)c2F)no1 ZINC000867160135 1294143157 /nfs/dbraw/zinc/14/31/57/1294143157.db2.gz DMNQJTOMDXKHGU-UHFFFAOYSA-N 0 0 345.334 2.764 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CC(C)(C)OC1(C)C ZINC000884474465 1294151803 /nfs/dbraw/zinc/15/18/03/1294151803.db2.gz AVWUVVMXZLTZJZ-LBPRGKRZSA-N 0 0 339.392 2.627 10 5 EFBERN Cc1ncncc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001289526256 1321819150 /nfs/dbraw/zinc/81/91/50/1321819150.db2.gz ZDIJWNSGUCGDOI-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001234103922 1313058503 /nfs/dbraw/zinc/05/85/03/1313058503.db2.gz UHMVFHREFHDNKW-NEPJUHHUSA-N 0 0 325.315 2.700 10 5 EFBERN CC(=O)c1cc(N2CCC[C@@H](c3ncccn3)C2)ccc1[N+](=O)[O-] ZINC000884712726 1294229233 /nfs/dbraw/zinc/22/92/33/1294229233.db2.gz ZENRGNOTOIUCLB-CYBMUJFWSA-N 0 0 326.356 2.971 10 5 EFBERN CCOC1CC2(C[C@@H]2C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC000867210554 1294403293 /nfs/dbraw/zinc/40/32/93/1294403293.db2.gz ZBTVPBILYOKTBY-TXKKKEFDSA-N 0 0 330.384 2.998 10 5 EFBERN O=C(N[C@@H]1CCCC12CC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001234172089 1313074590 /nfs/dbraw/zinc/07/45/90/1313074590.db2.gz OVSFVBJIFRURRD-MRXNPFEDSA-N 0 0 344.415 2.759 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C2CC2)n(C)n1 ZINC000885907747 1294552301 /nfs/dbraw/zinc/55/23/01/1294552301.db2.gz RFRZQQOJADCWNJ-FMIVXFBMSA-N 0 0 340.383 2.925 10 5 EFBERN Nc1c(C(=O)NC[C@]23C[C@H]2CCC3)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000885987880 1294608523 /nfs/dbraw/zinc/60/85/23/1294608523.db2.gz KEUQSGPEIOZVJI-UOWDBTKRSA-N 0 0 327.743 2.890 10 5 EFBERN O=C(NC[C@]12C[C@H]1CCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000885999215 1294612698 /nfs/dbraw/zinc/61/26/98/1294612698.db2.gz PWDUAFQFDOHLTJ-PXAZEXFGSA-N 0 0 326.356 2.701 10 5 EFBERN C[C@@H](NCc1cc(=O)n2ccsc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001197646547 1294641014 /nfs/dbraw/zinc/64/10/14/1294641014.db2.gz HAWYLYGTCFPUTL-SNVBAGLBSA-N 0 0 330.369 2.515 10 5 EFBERN COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000886320096 1294848516 /nfs/dbraw/zinc/84/85/16/1294848516.db2.gz AXCBDIOJMWCKOO-YPMHNXCESA-N 0 0 334.372 2.574 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001198130935 1294888932 /nfs/dbraw/zinc/88/89/32/1294888932.db2.gz LJUNUPDMUOELQS-DLBZAZTESA-N 0 0 330.388 2.887 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001198130937 1294889346 /nfs/dbraw/zinc/88/93/46/1294889346.db2.gz LJUNUPDMUOELQS-IRXDYDNUSA-N 0 0 330.388 2.887 10 5 EFBERN CC(C)(C)OCCS(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000867275382 1295092443 /nfs/dbraw/zinc/09/24/43/1295092443.db2.gz 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O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000867328013 1295687841 /nfs/dbraw/zinc/68/78/41/1295687841.db2.gz BBEXTFHRGRKRBY-CQSZACIVSA-N 0 0 343.358 2.763 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCNC(=O)CC1 ZINC000889429122 1295736364 /nfs/dbraw/zinc/73/63/64/1295736364.db2.gz ZVBIXYPLJJRWIS-YPKPFQOOSA-N 0 0 345.399 2.517 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@]12C[C@H]1COC21CCC1 ZINC000890174528 1295914799 /nfs/dbraw/zinc/91/47/99/1295914799.db2.gz AZZQTTLNCZHJRC-WMLDXEAASA-N 0 0 330.384 2.603 10 5 EFBERN CCOc1ccc(C(=O)NC[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000890183781 1295918180 /nfs/dbraw/zinc/91/81/80/1295918180.db2.gz SIBCFXBQMPTECQ-SUMWQHHRSA-N 0 0 346.383 2.683 10 5 EFBERN O=C(N[C@H]1CCOC12CCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000890408435 1295957387 /nfs/dbraw/zinc/95/73/87/1295957387.db2.gz KSUWHFRDRASDSO-XHSDSOJGSA-N 0 0 330.384 2.916 10 5 EFBERN CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2s1)[C@]1(O)CCOC1 ZINC000826698068 1295968374 /nfs/dbraw/zinc/96/83/74/1295968374.db2.gz QWAJVQFQHRBWSX-HNNXBMFYSA-N 0 0 337.401 2.794 10 5 EFBERN O=C(NC/C=C/CNCc1csc([N+](=O)[O-])c1)c1ccccc1F ZINC001273814407 1296053888 /nfs/dbraw/zinc/05/38/88/1296053888.db2.gz HSAYTFASNIYNHU-ONEGZZNKSA-N 0 0 349.387 2.871 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cnc1Cl ZINC001273836897 1296264231 /nfs/dbraw/zinc/26/42/31/1296264231.db2.gz QVCASVVWKUBJLO-UHFFFAOYSA-N 0 0 330.131 2.522 10 5 EFBERN C[C@@H](c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000903810474 1313239609 /nfs/dbraw/zinc/23/96/09/1313239609.db2.gz BUYKBKQPCCXXMD-BXUZGUMPSA-N 0 0 332.360 2.897 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2C[C@@H]3CCCC[C@H]23)C1=O ZINC000925089461 1296795284 /nfs/dbraw/zinc/79/52/84/1296795284.db2.gz JUEPEEJCPJZEJW-MKXCTONWSA-N 0 0 343.383 2.941 10 5 EFBERN CCc1onc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000776176879 1296814049 /nfs/dbraw/zinc/81/40/49/1296814049.db2.gz ONDMAEKEFYMWHT-SNVBAGLBSA-N 0 0 347.327 2.638 10 5 EFBERN Cc1c(NC(=O)NC[C@@]2(C(F)(F)F)CCCN2)cccc1[N+](=O)[O-] ZINC000925900522 1296883920 /nfs/dbraw/zinc/88/39/20/1296883920.db2.gz HHFYEBFIGXXDGV-CYBMUJFWSA-N 0 0 346.309 2.709 10 5 EFBERN O=C(NC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc([N+](=O)[O-])ccc1F ZINC000927576043 1297031996 /nfs/dbraw/zinc/03/19/96/1297031996.db2.gz XWNZYRUNMMUFHO-GZMMTYOYSA-N 0 0 336.241 2.574 10 5 EFBERN O=C(NCc1nccc2c1CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000927608233 1297035705 /nfs/dbraw/zinc/03/57/05/1297035705.db2.gz UJCAYFYGKOWPKU-UHFFFAOYSA-N 0 0 329.331 2.938 10 5 EFBERN C[C@@H](NC(=O)c1cn2c(n1)CC[C@@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000928247523 1297087086 /nfs/dbraw/zinc/08/70/86/1297087086.db2.gz WUCYKSNFPDVQHN-VXGBXAGGSA-N 0 0 328.372 2.865 10 5 EFBERN Cn1nccc1[C@H]1CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928371747 1297094448 /nfs/dbraw/zinc/09/44/48/1297094448.db2.gz QHSAEJJLIILBSC-CQSZACIVSA-N 0 0 339.355 2.787 10 5 EFBERN Cn1ncc2ccc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])cc21 ZINC001273908639 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GMENVPRNNSMELV-UONOGXRCSA-N 0 0 334.372 2.579 10 5 EFBERN CCc1nc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000803914401 1313360834 /nfs/dbraw/zinc/36/08/34/1313360834.db2.gz UYJVJDMAYVJDHX-SNVBAGLBSA-N 0 0 347.327 2.638 10 5 EFBERN COc1cccc(C(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)c1O ZINC000778737489 1297709430 /nfs/dbraw/zinc/70/94/30/1297709430.db2.gz DTSYGFFWTFPZNS-UHFFFAOYSA-N 0 0 333.296 2.675 10 5 EFBERN COc1cc(COC(=O)c2c(C)nn(C)c2Cl)ccc1[N+](=O)[O-] ZINC000778765738 1297714972 /nfs/dbraw/zinc/71/49/72/1297714972.db2.gz AJXGFNJSMXMFER-UHFFFAOYSA-N 0 0 339.735 2.656 10 5 EFBERN COc1cccc(OCC(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000778783880 1297719135 /nfs/dbraw/zinc/71/91/35/1297719135.db2.gz OTRQHRAPKQGUEK-UHFFFAOYSA-N 0 0 347.323 2.734 10 5 EFBERN CCCCO[C@@H](C)C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778786444 1297719146 /nfs/dbraw/zinc/71/91/46/1297719146.db2.gz DAUVACCULIZXIX-BBRMVZONSA-N 0 0 336.388 2.922 10 5 EFBERN COc1cc(COC(=O)[C@H](C)[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000778807850 1297721949 /nfs/dbraw/zinc/72/19/49/1297721949.db2.gz MWACBDVCBMWKDP-ZDUSSCGKSA-N 0 0 336.388 2.911 10 5 EFBERN COc1cc(COC(=O)c2cccc3[nH]c(=O)oc32)ccc1[N+](=O)[O-] ZINC000778827019 1297724463 /nfs/dbraw/zinc/72/44/63/1297724463.db2.gz CLEWVZHKZBQOEO-UHFFFAOYSA-N 0 0 344.279 2.807 10 5 EFBERN C/C(=C/c1ccc(C)cc1)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000778906619 1297729282 /nfs/dbraw/zinc/72/92/82/1297729282.db2.gz RCVIFZRDYFCLNQ-KAMYIIQDSA-N 0 0 342.351 2.712 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903948267 1313472027 /nfs/dbraw/zinc/47/20/27/1313472027.db2.gz CPKHSDAHSDXHFI-LGSVPQMISA-N 0 0 336.388 2.923 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903948266 1313472136 /nfs/dbraw/zinc/47/21/36/1313472136.db2.gz CPKHSDAHSDXHFI-BUWBCJGYSA-N 0 0 336.388 2.923 10 5 EFBERN Cc1oc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])nc1C1CC1 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EFBERN CCOc1nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)ncc1Cl ZINC001163172724 1312256569 /nfs/dbraw/zinc/25/65/69/1312256569.db2.gz JQCGFWXNNRKTIA-UHFFFAOYSA-N 0 0 348.750 2.925 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001163363725 1312296815 /nfs/dbraw/zinc/29/68/15/1312296815.db2.gz MEFSPIWHRKBVNA-SNVBAGLBSA-N 0 0 336.344 2.717 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cnc(Cl)c(F)c1 ZINC000803151163 1312306652 /nfs/dbraw/zinc/30/66/52/1312306652.db2.gz AFBZRGNBHSYONX-UHFFFAOYSA-N 0 0 338.726 2.624 10 5 EFBERN NC(=O)c1cc(N[C@H]2CCN(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC001163427396 1312311008 /nfs/dbraw/zinc/31/10/08/1312311008.db2.gz LPLJNERHZBGFGA-LBPRGKRZSA-N 0 0 344.346 2.524 10 5 EFBERN NC(=O)N1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC001163428091 1312311015 /nfs/dbraw/zinc/31/10/15/1312311015.db2.gz RUSVQKPNRSVDOB-SECBINFHSA-N 0 0 328.319 2.735 10 5 EFBERN CCc1ccc(C(=O)Nc2c[nH]nc2Br)cc1[N+](=O)[O-] ZINC001163454485 1312315900 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COc1ncc(CCNc2ncc([N+](=O)[O-])c3ccccc32)cn1 ZINC001163831246 1312391242 /nfs/dbraw/zinc/39/12/42/1312391242.db2.gz MVKQWTXQQNBUMT-UHFFFAOYSA-N 0 0 325.328 2.596 10 5 EFBERN O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001163878932 1312400702 /nfs/dbraw/zinc/40/07/02/1312400702.db2.gz ZPENNVOCLRPQFC-WZRBSPASSA-N 0 0 344.289 2.911 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001163916176 1312406954 /nfs/dbraw/zinc/40/69/54/1312406954.db2.gz JVDMDMYWFMLHIE-UHFFFAOYSA-N 0 0 347.758 2.925 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001163929331 1312409333 /nfs/dbraw/zinc/40/93/33/1312409333.db2.gz JLFWTAZKCXXGBD-CQSZACIVSA-N 0 0 337.395 2.845 10 5 EFBERN O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCCS3(=O)=O)sc2c1 ZINC001164022580 1312430470 /nfs/dbraw/zinc/43/04/70/1312430470.db2.gz SHYQFEBARNLGPB-JTQLQIEISA-N 0 0 341.414 2.584 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)OCc3cn[nH]c3)cc2[N+](=O)[O-])C1 ZINC000803267586 1312443034 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CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1sccc1[N+](=O)[O-] ZINC001164243074 1312476738 /nfs/dbraw/zinc/47/67/38/1312476738.db2.gz CZJJJXVXHYXPBB-MWLCHTKSSA-N 0 0 343.405 2.703 10 5 EFBERN COC(=O)c1cc(C)nc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001164261532 1312480890 /nfs/dbraw/zinc/48/08/90/1312480890.db2.gz UCCDJCZUTJNVGJ-WKZPIUISSA-N 0 0 343.383 2.733 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)C[C@H](C)O3)n1 ZINC001164265006 1312481412 /nfs/dbraw/zinc/48/14/12/1312481412.db2.gz LJBAGSSWWOXCFL-VIFPVBQESA-N 0 0 329.312 2.843 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCC1(OCCO)CCCCC1 ZINC001164287677 1312485473 /nfs/dbraw/zinc/48/54/73/1312485473.db2.gz FZPQCORJNRCXFH-UHFFFAOYSA-N 0 0 345.399 2.689 10 5 EFBERN Cc1cc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC001164549691 1312537661 /nfs/dbraw/zinc/53/76/61/1312537661.db2.gz ZZZNOGKCZDULRK-ZBEGNZNMSA-N 0 0 332.331 2.894 10 5 EFBERN CCc1ccncc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001164660459 1312555776 /nfs/dbraw/zinc/55/57/76/1312555776.db2.gz UJDHDXJMCDLLOY-MRXNPFEDSA-N 0 0 340.339 2.684 10 5 EFBERN Cc1ccc(-n2nnnc2SCc2cccnc2[N+](=O)[O-])cc1C ZINC001165303054 1312606007 /nfs/dbraw/zinc/60/60/07/1312606007.db2.gz IZARDLAYFALDAR-UHFFFAOYSA-N 0 0 342.384 2.875 10 5 EFBERN COC(=O)[C@H]1CCCC[C@@H]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165616015 1312653310 /nfs/dbraw/zinc/65/33/10/1312653310.db2.gz WOZHIADNKLVQBP-HIFRSBDPSA-N 0 0 344.371 2.833 10 5 EFBERN COc1ncc(COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C)n1 ZINC000803462396 1312657062 /nfs/dbraw/zinc/65/70/62/1312657062.db2.gz KMMQVTPZWJCZHK-UHFFFAOYSA-N 0 0 335.291 2.506 10 5 EFBERN CC[C@@H](NC(=O)NOCCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000812952700 1314635041 /nfs/dbraw/zinc/63/50/41/1314635041.db2.gz DVTOGZGLOYAUKD-CQSZACIVSA-N 0 0 325.365 2.702 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000749122311 1314823217 /nfs/dbraw/zinc/82/32/17/1314823217.db2.gz LVRUCEBHOCWRHQ-UONOGXRCSA-N 0 0 347.415 2.550 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000749124501 1314856771 /nfs/dbraw/zinc/85/67/71/1314856771.db2.gz XKWUDASEZMKDGP-WDEREUQCSA-N 0 0 340.326 2.762 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000749124964 1314857090 /nfs/dbraw/zinc/85/70/90/1314857090.db2.gz YICQPKPLMHHYJP-QWHCGFSZSA-N 0 0 336.363 2.931 10 5 EFBERN C[C@@H](NC(=O)NCC1(CCO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001248635573 1314950307 /nfs/dbraw/zinc/95/03/07/1314950307.db2.gz HQNSFCAUFRXDNA-CYBMUJFWSA-N 0 0 335.404 2.898 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001248635109 1314950661 /nfs/dbraw/zinc/95/06/61/1314950661.db2.gz BJXZURQJGCDTJM-CZUORRHYSA-N 0 0 343.383 2.731 10 5 EFBERN C[C@@H](NC(=O)N[C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001248635136 1314950762 /nfs/dbraw/zinc/95/07/62/1314950762.db2.gz BXPWEAQGDULAJC-DOMZBBRYSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001248640562 1314950768 /nfs/dbraw/zinc/95/07/68/1314950768.db2.gz XVUDIPMPWCNWNC-ZWNOBZJWSA-N 0 0 345.359 2.546 10 5 EFBERN COC(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001248635597 1314950821 /nfs/dbraw/zinc/95/08/21/1314950821.db2.gz HTCHVQVCTGOVGX-SNVBAGLBSA-N 0 0 347.327 2.535 10 5 EFBERN CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001251737740 1315373082 /nfs/dbraw/zinc/37/30/82/1315373082.db2.gz BXIXLQZEHQUFDJ-WMZOPIPTSA-N 0 0 346.431 2.861 10 5 EFBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1F ZINC000827979385 1315479679 /nfs/dbraw/zinc/47/96/79/1315479679.db2.gz RARCGDFDJBWNOM-JOYOIKCWSA-N 0 0 327.331 2.620 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000826704165 1315482061 /nfs/dbraw/zinc/48/20/61/1315482061.db2.gz CZOVYKZARQXTEU-AOOOYVTPSA-N 0 0 335.360 2.684 10 5 EFBERN Cn1ncc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c1Cl ZINC001278725644 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343.387 2.579 10 5 EFBERN O=[N+]([O-])c1cc(OS(=O)(=O)CCC[C@H]2CCOC2)ccc1Cl ZINC000827624787 1316004393 /nfs/dbraw/zinc/00/43/93/1316004393.db2.gz HWYYAFOQFHQPQK-JTQLQIEISA-N 0 0 349.792 2.774 10 5 EFBERN Cc1cc([C@H]([NH3+])CC(=O)NCc2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000827821311 1316020157 /nfs/dbraw/zinc/02/01/57/1316020157.db2.gz VMWNDKBGPBUKCR-CQSZACIVSA-N 0 0 348.790 2.658 10 5 EFBERN CC1(C)[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000827847441 1316022818 /nfs/dbraw/zinc/02/28/18/1316022818.db2.gz LRPAAIISYZZPRE-UTSKFRMZSA-N 0 0 344.411 2.706 10 5 EFBERN C[C@H](NC(=O)C(=O)N(C)C[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC001257298281 1316054412 /nfs/dbraw/zinc/05/44/12/1316054412.db2.gz HJLBHJLTIUWQBX-KBPBESRZSA-N 0 0 345.399 2.587 10 5 EFBERN O=C(CCC1CCC1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001261278928 1316401091 /nfs/dbraw/zinc/40/10/91/1316401091.db2.gz KVXYXRCSDRJPGV-UHFFFAOYSA-N 0 0 337.445 2.881 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC[C@@]23CCOC3)c(Br)c1 ZINC001261386162 1316408263 /nfs/dbraw/zinc/40/82/63/1316408263.db2.gz NEUULQGCCLGRIP-ZDUSSCGKSA-N 0 0 327.178 2.722 10 5 EFBERN COCC1(CCNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC001261453339 1316413049 /nfs/dbraw/zinc/41/30/49/1316413049.db2.gz CGVRQYSGTZEXJM-UHFFFAOYSA-N 0 0 339.348 2.532 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1COC(=O)C1 ZINC001263524599 1316548110 /nfs/dbraw/zinc/54/81/10/1316548110.db2.gz PCPXBGDVGQQSMN-SNVBAGLBSA-N 0 0 339.369 2.817 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1NCc1cccnc1 ZINC001263623557 1316551947 /nfs/dbraw/zinc/55/19/47/1316551947.db2.gz UCEHPBJHGSHHBJ-AWEZNQCLSA-N 0 0 329.356 2.906 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC001263623912 1316552133 /nfs/dbraw/zinc/55/21/33/1316552133.db2.gz DEUWYXGZDZSVFZ-CQSZACIVSA-N 0 0 336.388 2.675 10 5 EFBERN COc1ccc(NC(=O)N[C@@H](C2CC2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001263629862 1316552544 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EFBERN C[C@H](Cc1ccco1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001264474154 1316618690 /nfs/dbraw/zinc/61/86/90/1316618690.db2.gz MEGRANUEIYFQKR-LLVKDONJSA-N 0 0 346.339 2.710 10 5 EFBERN O=C(NCc1ccsc1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001264543163 1316629729 /nfs/dbraw/zinc/62/97/29/1316629729.db2.gz YVGQSOHAVSHNIT-UHFFFAOYSA-N 0 0 328.353 2.772 10 5 EFBERN COc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ccc1NC(C)=O ZINC001264630668 1316644542 /nfs/dbraw/zinc/64/45/42/1316644542.db2.gz DFJJNWXJTCLTDJ-UHFFFAOYSA-N 0 0 347.302 2.953 10 5 EFBERN Nc1c(C(=O)NCCc2ccncc2)cc2ccccc2c1[N+](=O)[O-] ZINC001264754484 1316668740 /nfs/dbraw/zinc/66/87/40/1316668740.db2.gz HVLGWJAKFUDTKQ-UHFFFAOYSA-N 0 0 336.351 2.698 10 5 EFBERN CC1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CCCCC1 ZINC001264760375 1316669323 /nfs/dbraw/zinc/66/93/23/1316669323.db2.gz DQRVHUFJDURKQP-UHFFFAOYSA-N 0 0 329.360 2.628 10 5 EFBERN CC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC001264777816 1316670119 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Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(F)cn3n2)c1C ZINC001265444826 1316806847 /nfs/dbraw/zinc/80/68/47/1316806847.db2.gz CEKYFJZUVDZLOV-UHFFFAOYSA-N 0 0 329.291 2.646 10 5 EFBERN Cc1nc([C@@H]2CCOC2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001265687249 1316854201 /nfs/dbraw/zinc/85/42/01/1316854201.db2.gz QUAHWFCGBSCEOH-SNVBAGLBSA-N 0 0 348.384 2.819 10 5 EFBERN CC/C(C)=C\C(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001265840580 1316888865 /nfs/dbraw/zinc/88/88/65/1316888865.db2.gz UPNZXKKXEGVTIU-WQLSENKSSA-N 0 0 325.434 2.951 10 5 EFBERN C/C(=C\C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cnccn1 ZINC001265839349 1316888974 /nfs/dbraw/zinc/88/89/74/1316888974.db2.gz GZFPXQBNPNGGJI-DHZHZOJOSA-N 0 0 335.323 2.975 10 5 EFBERN O=C(c1ccc2cnccc2n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001265859401 1316894933 /nfs/dbraw/zinc/89/49/33/1316894933.db2.gz BGNNKGJTTSTHTN-UHFFFAOYSA-N 0 0 334.335 2.737 10 5 EFBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(=O)n(C)c1 ZINC001265881409 1316901327 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O=C(Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001280275432 1317494563 /nfs/dbraw/zinc/49/45/63/1317494563.db2.gz GNCHSAZKFIDPRJ-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN COc1cc(C(=O)Nc2ccn3cc(C)nc3c2)c([N+](=O)[O-])cc1F ZINC001280408429 1317547307 /nfs/dbraw/zinc/54/73/07/1317547307.db2.gz WVGYGDVZAGECOF-UHFFFAOYSA-N 0 0 344.302 2.951 10 5 EFBERN C[C@@H]1c2ccccc2CN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001280441290 1317563495 /nfs/dbraw/zinc/56/34/95/1317563495.db2.gz ZEBDUUGUKJBKOY-GFCCVEGCSA-N 0 0 349.350 2.893 10 5 EFBERN CN(CCCN(C)C(=O)c1cccnc1)Cc1csc([N+](=O)[O-])c1 ZINC001280781434 1317775429 /nfs/dbraw/zinc/77/54/29/1317775429.db2.gz MZFGPFWYHVVREP-UHFFFAOYSA-N 0 0 348.428 2.645 10 5 EFBERN COC(=O)c1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC001319254349 1328821819 /nfs/dbraw/zinc/82/18/19/1328821819.db2.gz LVXJNCWJEABBHJ-UHFFFAOYSA-N 0 0 344.298 2.677 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000820633980 1320866302 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Cc1cc(Cl)c(C(=O)Nc2ncc3c(n2)COC3)cc1[N+](=O)[O-] ZINC001287749647 1321526275 /nfs/dbraw/zinc/52/62/75/1321526275.db2.gz FYVSFUCXPUJNFM-UHFFFAOYSA-N 0 0 334.719 2.629 10 5 EFBERN CCOc1nccc(C)c1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001287961929 1321561964 /nfs/dbraw/zinc/56/19/64/1321561964.db2.gz FNAPIXWAYWWJHJ-UHFFFAOYSA-N 0 0 329.356 2.935 10 5 EFBERN Cc1cccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c1[N+](=O)[O-] ZINC001288070798 1321598566 /nfs/dbraw/zinc/59/85/66/1321598566.db2.gz JMMSBVGFNFHFFT-SNVBAGLBSA-N 0 0 334.357 2.859 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccn(C2CCCC2)n1 ZINC001288215628 1321619267 /nfs/dbraw/zinc/61/92/67/1321619267.db2.gz BQAHYDLVCGGELJ-UHFFFAOYSA-N 0 0 331.332 2.562 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CNC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001288219800 1321620763 /nfs/dbraw/zinc/62/07/63/1321620763.db2.gz SQOXVMDQBUKAPW-XHDPSFHLSA-N 0 0 340.335 2.726 10 5 EFBERN CS/C=C/C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001288347499 1321646123 /nfs/dbraw/zinc/64/61/23/1321646123.db2.gz BSBCHOVKLUSAQY-SNAWJCMRSA-N 0 0 331.191 2.850 10 5 EFBERN Cc1conc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001288348516 1321646632 /nfs/dbraw/zinc/64/66/32/1321646632.db2.gz QIKDYJIUXIZGFE-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN CC(=O)c1c(C)cc(OC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1C ZINC001288413056 1321663769 /nfs/dbraw/zinc/66/37/69/1321663769.db2.gz QXVRCSVLPCPLJX-UHFFFAOYSA-N 0 0 331.328 2.525 10 5 EFBERN C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC001288747511 1321751850 /nfs/dbraw/zinc/75/18/50/1321751850.db2.gz DFAIDJFAFIXJGR-LLVKDONJSA-N 0 0 347.396 2.654 10 5 EFBERN C[C@H](NC(=O)c1ccnc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001288794525 1321760876 /nfs/dbraw/zinc/76/08/76/1321760876.db2.gz QKNXXERKHACXEI-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN Cc1ccc(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)cc1[N+](=O)[O-] ZINC001289048887 1321799190 /nfs/dbraw/zinc/79/91/90/1321799190.db2.gz DSYWQCIJNZWEON-UHFFFAOYSA-N 0 0 347.277 2.780 10 5 EFBERN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001289256261 1321809616 /nfs/dbraw/zinc/80/96/16/1321809616.db2.gz RCVCODJYRNEXCG-IAQYHMDHSA-N 0 0 349.387 2.618 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnn(C2CCC2)c1 ZINC001289260495 1321809627 /nfs/dbraw/zinc/80/96/27/1321809627.db2.gz KUYLXWXIFFIWDF-UHFFFAOYSA-N 0 0 329.360 2.957 10 5 EFBERN COc1cccc(F)c1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001289339462 1321813112 /nfs/dbraw/zinc/81/31/12/1321813112.db2.gz SFLCGEWULHRLBT-UHFFFAOYSA-N 0 0 348.330 2.746 10 5 EFBERN CCc1noc([C@H]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC001289489943 1321818750 /nfs/dbraw/zinc/81/87/50/1321818750.db2.gz DNUWYDLSYUAENA-RYUDHWBXSA-N 0 0 330.344 2.606 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C2 ZINC001289548553 1321820853 /nfs/dbraw/zinc/82/08/53/1321820853.db2.gz YUPZZBKPJXGFMV-SMDDNHRTSA-N 0 0 342.367 2.898 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nccc(C(C)(C)C)n2)c1 ZINC001289632605 1321822602 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COc1ccc(CN(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1C ZINC001292850763 1322135013 /nfs/dbraw/zinc/13/50/13/1322135013.db2.gz PUZIHKBMCCNADI-UHFFFAOYSA-N 0 0 338.751 2.561 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1Cc2ccccc2C1 ZINC001292899185 1322147671 /nfs/dbraw/zinc/14/76/71/1322147671.db2.gz LCKCHUKCOBQHDI-UHFFFAOYSA-N 0 0 343.314 2.848 10 5 EFBERN Cc1csc(CCCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001293023286 1322174526 /nfs/dbraw/zinc/17/45/26/1322174526.db2.gz JOGPTJIYHPTZKY-UHFFFAOYSA-N 0 0 349.412 2.878 10 5 EFBERN CSc1ccc(N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001293291224 1322223059 /nfs/dbraw/zinc/22/30/59/1322223059.db2.gz QVOKPPCJPCWBSU-UHFFFAOYSA-N 0 0 326.765 2.970 10 5 EFBERN O=C(NCc1ncc[nH]1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001293490681 1322264438 /nfs/dbraw/zinc/26/44/38/1322264438.db2.gz DCPZMVRPIUXDEW-UHFFFAOYSA-N 0 0 333.106 2.694 10 5 EFBERN CN1c2ccccc2C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1=O ZINC001307163904 1322297900 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329.356 2.629 10 5 EFBERN O=C(N[C@@H](CO)[C@H]1CCOC1)c1cc2ccccc2c2cccnc12 ZINC001295800129 1322782794 /nfs/dbraw/zinc/78/27/94/1322782794.db2.gz RQMIOPAKEMYFGL-KSSFIOAISA-N 0 0 336.391 2.515 10 5 EFBERN CC[C@H](NC(=O)c1ccc(CO)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC001295820210 1322787506 /nfs/dbraw/zinc/78/75/06/1322787506.db2.gz DHZPCQBTPALDLV-INIZCTEOSA-N 0 0 344.367 2.977 10 5 EFBERN CCCc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc(=O)[nH]1 ZINC001295988259 1322836902 /nfs/dbraw/zinc/83/69/02/1322836902.db2.gz OZMCKAUXHGEUEH-UHFFFAOYSA-N 0 0 341.327 2.777 10 5 EFBERN CC(C)c1nnc([C@H](C)NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])[nH]1 ZINC001295998405 1322837612 /nfs/dbraw/zinc/83/76/12/1322837612.db2.gz GDABYSYUDAQSQE-JTQLQIEISA-N 0 0 349.366 2.785 10 5 EFBERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001296158408 1322859972 /nfs/dbraw/zinc/85/99/72/1322859972.db2.gz SXUNVEZKRPCJTM-PSASIEDQSA-N 0 0 335.751 2.590 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CCCNc3ccc([N+](=O)[O-])nc3)nc2c1 ZINC001307209811 1322864813 /nfs/dbraw/zinc/86/48/13/1322864813.db2.gz OXDABSGIMAETNQ-UHFFFAOYSA-N 0 0 342.315 2.819 10 5 EFBERN Cc1c(F)cccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001296445851 1322916667 /nfs/dbraw/zinc/91/66/67/1322916667.db2.gz VVFVIULMZRPSAS-UHFFFAOYSA-N 0 0 330.315 2.946 10 5 EFBERN CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001296718925 1322989627 /nfs/dbraw/zinc/98/96/27/1322989627.db2.gz SPGWYHSISMZWRP-ZIAGYGMSSA-N 0 0 341.367 2.546 10 5 EFBERN Cc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001297057053 1323079007 /nfs/dbraw/zinc/07/90/07/1323079007.db2.gz FSTFOQKFBMOAIH-INIZCTEOSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1cc(C(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC001320061194 1329067537 /nfs/dbraw/zinc/06/75/37/1329067537.db2.gz GXIVDJYWDIUSLG-UHFFFAOYSA-N 0 0 342.399 2.502 10 5 EFBERN Nc1c(C(=O)Nc2cncc(F)c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001297151447 1323102150 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EFBERN O=C(NCc1ccc2[nH]cnc2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001298221321 1323460343 /nfs/dbraw/zinc/46/03/43/1323460343.db2.gz HRBKJWYGCRCJGD-UHFFFAOYSA-N 0 0 335.323 2.882 10 5 EFBERN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001298245041 1323470064 /nfs/dbraw/zinc/47/00/64/1323470064.db2.gz DQRBYHVBHYOMPA-SSDOTTSWSA-N 0 0 348.750 2.681 10 5 EFBERN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](CO)c1ccccc1 ZINC001298373293 1323508198 /nfs/dbraw/zinc/50/81/98/1323508198.db2.gz NJSHTZCLUNBINT-INIZCTEOSA-N 0 0 339.351 2.882 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)n1 ZINC001298438056 1323528689 /nfs/dbraw/zinc/52/86/89/1323528689.db2.gz ORVKLIWAULMLGA-UHFFFAOYSA-N 0 0 339.311 2.646 10 5 EFBERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000839920309 1323533025 /nfs/dbraw/zinc/53/30/25/1323533025.db2.gz PESBMFQUOVYPRM-ZDUSSCGKSA-N 0 0 342.399 2.725 10 5 EFBERN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001298478289 1323543987 /nfs/dbraw/zinc/54/39/87/1323543987.db2.gz ZHVIXSKRJVYKBY-SSDOTTSWSA-N 0 0 328.250 2.828 10 5 EFBERN O=c1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)cnn1Cc1ccccc1 ZINC001320146539 1329098061 /nfs/dbraw/zinc/09/80/61/1329098061.db2.gz CVEFYHDBHXNSGK-UHFFFAOYSA-N 0 0 348.362 2.720 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCc2[nH]cnc2C1 ZINC001298841293 1323620083 /nfs/dbraw/zinc/62/00/83/1323620083.db2.gz NDMIQBNZAUFVOC-SNVBAGLBSA-N 0 0 348.790 2.578 10 5 EFBERN Cc1nc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c(C)s1 ZINC001299933167 1323713584 /nfs/dbraw/zinc/71/35/84/1323713584.db2.gz LBAKQQWKAZJGKW-UHFFFAOYSA-N 0 0 327.312 2.876 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCOc3ccc4c(c3)CCC4)nn21 ZINC001320435643 1329131083 /nfs/dbraw/zinc/13/10/83/1329131083.db2.gz XAQCDWDZQMGGCD-UHFFFAOYSA-N 0 0 339.355 2.617 10 5 EFBERN Cc1ccsc1C(=O)NCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001492184205 1324324955 /nfs/dbraw/zinc/32/49/55/1324324955.db2.gz SQXLUVNWFZZUOE-UHFFFAOYSA-N 0 0 339.442 2.888 10 5 EFBERN C[N@H+](CCNC(=O)CCC(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001492309232 1324410084 /nfs/dbraw/zinc/41/00/84/1324410084.db2.gz ORIZQELBMGMQFA-UHFFFAOYSA-N 0 0 329.347 2.578 10 5 EFBERN C[C@@H]1CCC[C@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)O1 ZINC001300961609 1324516242 /nfs/dbraw/zinc/51/62/42/1324516242.db2.gz ARKWFEOUFSNHLT-PSASIEDQSA-N 0 0 327.768 2.518 10 5 EFBERN COC(=O)c1occc1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001300989124 1324517152 /nfs/dbraw/zinc/51/71/52/1324517152.db2.gz GXHVKGRZLNCFCN-UHFFFAOYSA-N 0 0 332.312 2.521 10 5 EFBERN Cc1cc(Br)c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)s1 ZINC001300995330 1324517942 /nfs/dbraw/zinc/51/79/42/1324517942.db2.gz YBLJORJOFBDDHB-UHFFFAOYSA-N 0 0 344.190 2.985 10 5 EFBERN C[C@@H]1c2ccccc2OCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001301111021 1324523548 /nfs/dbraw/zinc/52/35/48/1324523548.db2.gz ILEWOKQKANOCPY-LLVKDONJSA-N 0 0 327.340 2.773 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH]ccc(=O)c2c1 ZINC001301890467 1324564217 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COc1ccc(CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1O ZINC001303290725 1324600824 /nfs/dbraw/zinc/60/08/24/1324600824.db2.gz ZLUADEZYWOTEBL-UHFFFAOYSA-N 0 0 330.340 2.590 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001303288401 1324600925 /nfs/dbraw/zinc/60/09/25/1324600925.db2.gz WZOKDPTVYBIPDA-SLEUVZQESA-N 0 0 338.791 2.865 10 5 EFBERN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC[C@H]1C=CCC1 ZINC001303273788 1324601166 /nfs/dbraw/zinc/60/11/66/1324601166.db2.gz ODFNHJTXVYEDPI-ZDUSSCGKSA-N 0 0 346.387 2.579 10 5 EFBERN CC(C)C(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC001303479408 1324607601 /nfs/dbraw/zinc/60/76/01/1324607601.db2.gz SYPVGVFMRAMMKI-MRXNPFEDSA-N 0 0 341.367 2.873 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2ncon2)C1 ZINC001303855203 1324623122 /nfs/dbraw/zinc/62/31/22/1324623122.db2.gz KPAWOAJUTWAYPA-VIFPVBQESA-N 0 0 336.735 2.651 10 5 EFBERN CCS(=O)(CC)=NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001303902625 1324626436 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EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001304074357 1324635913 /nfs/dbraw/zinc/63/59/13/1324635913.db2.gz JSAQRHZEZIUJJC-SECBINFHSA-N 0 0 347.249 2.836 10 5 EFBERN Cc1ccc([S@@](C)(=O)=NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC001304189167 1324643876 /nfs/dbraw/zinc/64/38/76/1324643876.db2.gz AEJXKFZRWOQWOJ-HSZRJFAPSA-N 0 0 333.369 2.783 10 5 EFBERN CC(C)[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cnn(C)c1 ZINC001304383042 1324649771 /nfs/dbraw/zinc/64/97/71/1324649771.db2.gz GRKNXWWUZZYYLN-INIZCTEOSA-N 0 0 341.371 2.937 10 5 EFBERN Cc1ccc(NC(=O)c2cn3c(cccc3C)n2)c(N)c1[N+](=O)[O-] ZINC001304499706 1324651861 /nfs/dbraw/zinc/65/18/61/1324651861.db2.gz FJQTUFFSLAOYED-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN Cc1ccc(NC(=O)c2cnc(N(C)C)c(Cl)c2)c(N)c1[N+](=O)[O-] ZINC001304501306 1324652326 /nfs/dbraw/zinc/65/23/26/1324652326.db2.gz TXCHIEWPWXDXHK-UHFFFAOYSA-N 0 0 349.778 2.852 10 5 EFBERN CO[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC001304498317 1324652471 /nfs/dbraw/zinc/65/24/71/1324652471.db2.gz MSIYDKJBLQOFQI-OAHLLOKOSA-N 0 0 333.319 2.951 10 5 EFBERN Cc1cn2cc(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)nc2s1 ZINC001304498382 1324652509 /nfs/dbraw/zinc/65/25/09/1324652509.db2.gz OBGUFXLQKAOTBP-UHFFFAOYSA-N 0 0 345.384 2.684 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CCO)cc1 ZINC001304790907 1324662374 /nfs/dbraw/zinc/66/23/74/1324662374.db2.gz HKEMFLMMTVDKFG-UHFFFAOYSA-N 0 0 346.408 2.782 10 5 EFBERN COC(=O)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)CC1CCCC1 ZINC001304802826 1324663657 /nfs/dbraw/zinc/66/36/57/1324663657.db2.gz PJZQNINAWATBMJ-NSHDSACASA-N 0 0 340.401 2.756 10 5 EFBERN COC(=O)/C=C\[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001305796488 1324690903 /nfs/dbraw/zinc/69/09/03/1324690903.db2.gz CPJRQNHVGCZQHK-WDDYJBPVSA-N 0 0 334.372 2.740 10 5 EFBERN CC(C)[C@H](CO)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001305993538 1324695940 /nfs/dbraw/zinc/69/59/40/1324695940.db2.gz PSYDCXKXBCUXOC-QMMMGPOBSA-N 0 0 339.150 2.787 10 5 EFBERN O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001306040718 1324697090 /nfs/dbraw/zinc/69/70/90/1324697090.db2.gz FHURWZPBZOPJTN-AOOOYVTPSA-N 0 0 343.305 2.990 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001306070185 1324697938 /nfs/dbraw/zinc/69/79/38/1324697938.db2.gz YTLWGXKGBLHPMS-JTQLQIEISA-N 0 0 342.417 2.834 10 5 EFBERN CCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1C[C@@H]1C ZINC001306155547 1324701242 /nfs/dbraw/zinc/70/12/42/1324701242.db2.gz UWDQZUNQPSOMJQ-JSGCOSHPSA-N 0 0 341.415 2.967 10 5 EFBERN CCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1C[C@H]1C ZINC001306155548 1324701837 /nfs/dbraw/zinc/70/18/37/1324701837.db2.gz UWDQZUNQPSOMJQ-OCCSQVGLSA-N 0 0 341.415 2.967 10 5 EFBERN CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)Cc1ccccc1 ZINC001306829585 1324722996 /nfs/dbraw/zinc/72/29/96/1324722996.db2.gz WIKLABNCLHSKDM-CQSZACIVSA-N 0 0 343.383 2.940 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001306862424 1324726411 /nfs/dbraw/zinc/72/64/11/1324726411.db2.gz KPTHVUZMMWQYFS-UHFFFAOYSA-N 0 0 349.306 2.977 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc21 ZINC001306915134 1324731155 /nfs/dbraw/zinc/73/11/55/1324731155.db2.gz NWRKAONXSFKTPQ-UHFFFAOYSA-N 0 0 335.367 2.865 10 5 EFBERN CN(C)C(=O)c1ccc(Oc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001306920472 1324731804 /nfs/dbraw/zinc/73/18/04/1324731804.db2.gz VPAZBFXQWKCGAD-UHFFFAOYSA-N 0 0 334.303 2.720 10 5 EFBERN COc1cccc([C@H](O)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC001306969183 1324735385 /nfs/dbraw/zinc/73/53/85/1324735385.db2.gz ZFYRHSCHKNPZOE-OAHLLOKOSA-N 0 0 348.355 2.766 10 5 EFBERN COc1cccc([C@@H](O)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC001306969182 1324735812 /nfs/dbraw/zinc/73/58/12/1324735812.db2.gz ZFYRHSCHKNPZOE-HNNXBMFYSA-N 0 0 348.355 2.766 10 5 EFBERN O=c1ccn(-c2ccc(-c3ccc(Cl)s3)nn2)cc1[N+](=O)[O-] ZINC001306982468 1324736377 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O=[N+]([O-])c1c(NCc2nc(-c3ccccn3)n[nH]2)ccc2cnccc21 ZINC001307120146 1324743092 /nfs/dbraw/zinc/74/30/92/1324743092.db2.gz GQTUMHGBYZOJBH-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN CC[C@@H]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001307129931 1324743763 /nfs/dbraw/zinc/74/37/63/1324743763.db2.gz UARKDNBAIXQLGR-VXGBXAGGSA-N 0 0 341.433 2.871 10 5 EFBERN CC[C@H]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001307129929 1324744090 /nfs/dbraw/zinc/74/40/90/1324744090.db2.gz UARKDNBAIXQLGR-NWDGAFQWSA-N 0 0 341.433 2.871 10 5 EFBERN Cc1nc(NCCc2cnc3c(Cl)cnn3c2)ccc1[N+](=O)[O-] ZINC001307132170 1324744350 /nfs/dbraw/zinc/74/43/50/1324744350.db2.gz UFDPRBQKYZTCNT-UHFFFAOYSA-N 0 0 332.751 2.649 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](CO)c2ccc(F)cc2)c1 ZINC001307139532 1324745012 /nfs/dbraw/zinc/74/50/12/1324745012.db2.gz FFGFQFXBFIFBQO-CYBMUJFWSA-N 0 0 348.330 2.709 10 5 EFBERN CO[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])CC(C)C ZINC001307146339 1324745229 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EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H](CO)Cc1ccoc1 ZINC001307197521 1324749286 /nfs/dbraw/zinc/74/92/86/1324749286.db2.gz YCRLKNZSVXOGOS-GFCCVEGCSA-N 0 0 345.330 2.560 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(C3(O)CCC3)CCC2)c1 ZINC001307206066 1324750577 /nfs/dbraw/zinc/75/05/77/1324750577.db2.gz AAKIICHQZBAVQJ-UHFFFAOYSA-N 0 0 334.372 2.879 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2cnc3n2CCC3)c([N+](=O)[O-])c1 ZINC001307210703 1324750641 /nfs/dbraw/zinc/75/06/41/1324750641.db2.gz VYTYKGUUXLMTFO-FNORWQNLSA-N 0 0 342.355 2.536 10 5 EFBERN CCOC(=O)c1ccnc(Sc2cccc(CO)c2)c1[N+](=O)[O-] ZINC001307207902 1324750704 /nfs/dbraw/zinc/75/07/04/1324750704.db2.gz ZXMALKLTDOOIPU-UHFFFAOYSA-N 0 0 334.353 2.810 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC1(C2(O)CCC2)CC1 ZINC001307222574 1324752388 /nfs/dbraw/zinc/75/23/88/1324752388.db2.gz NMNKECCYMABXDY-UHFFFAOYSA-N 0 0 345.399 2.594 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NC3CC(NCC(F)(F)F)C3)c2c1 ZINC001307225011 1324752738 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CN(CCNC(=O)c1cc(F)ccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001317450511 1328039451 /nfs/dbraw/zinc/03/94/51/1328039451.db2.gz SRJMUIRHKNDTDI-UHFFFAOYSA-N 0 0 349.337 2.735 10 5 EFBERN CC1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)CCC1 ZINC001322746288 1329484620 /nfs/dbraw/zinc/48/46/20/1329484620.db2.gz YVCMQFBBOIHVKG-UHFFFAOYSA-N 0 0 342.193 2.860 10 5 EFBERN Nc1cc(N2CCc3ccc(Cl)cc3C2)cc(CO)c1[N+](=O)[O-] ZINC001322485726 1329462186 /nfs/dbraw/zinc/46/21/86/1329462186.db2.gz QKEQVRKVFAICLK-UHFFFAOYSA-N 0 0 333.775 2.885 10 5 EFBERN CN(C(=O)CCC1CCC1)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001323908972 1329584400 /nfs/dbraw/zinc/58/44/00/1329584400.db2.gz LKDKIDDPGGYZNF-UHFFFAOYSA-N 0 0 331.416 2.818 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)C[C@@H]1CCCC1(F)F)C2 ZINC001324497142 1329633261 /nfs/dbraw/zinc/63/32/61/1329633261.db2.gz BJCFISSDTPQPSY-LBPRGKRZSA-N 0 0 346.355 2.676 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC001324625418 1329645873 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327.312 2.632 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCc4ccc([N+](=O)[O-])cc4C3)nc2c1 ZINC001326564038 1330318579 /nfs/dbraw/zinc/31/85/79/1330318579.db2.gz ZZMAMPIQPBRCAG-UHFFFAOYSA-N 0 0 339.311 2.942 10 5 EFBERN CN(CCC(F)(F)F)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC001326795787 1330365391 /nfs/dbraw/zinc/36/53/91/1330365391.db2.gz JZWMAJCSIPQDMT-CYBMUJFWSA-N 0 0 345.321 2.752 10 5 EFBERN CO[C@H](COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC001327135145 1330426439 /nfs/dbraw/zinc/42/64/39/1330426439.db2.gz PCANKHCDYXUEKY-MRXNPFEDSA-N 0 0 332.356 2.977 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NC2CC3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC001327402765 1330473284 /nfs/dbraw/zinc/47/32/84/1330473284.db2.gz JNMWKOVSJPWELK-UHFFFAOYSA-N 0 0 346.355 2.678 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001327714854 1330511411 /nfs/dbraw/zinc/51/14/11/1330511411.db2.gz RGJKYVAMLGFISR-LETLQTKMSA-N 0 0 327.287 2.540 10 5 EFBERN CO[C@H](c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1)[C@H]1CCOC1 ZINC001327742190 1330513158 /nfs/dbraw/zinc/51/31/58/1330513158.db2.gz PQAZMZVMYXCREM-FZMZJTMJSA-N 0 0 333.344 2.986 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC2(CC2(F)F)C1 ZINC001327761163 1330514231 /nfs/dbraw/zinc/51/42/31/1330514231.db2.gz YQXJKTWDZXBVJR-UHFFFAOYSA-N 0 0 327.287 2.913 10 5 EFBERN COc1cc(COC(=O)C[C@H](C)n2ccc(C)n2)ccc1[N+](=O)[O-] ZINC001327998434 1330539917 /nfs/dbraw/zinc/53/99/17/1330539917.db2.gz XFCJRGOAPGYSRR-LBPRGKRZSA-N 0 0 333.344 2.803 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CCC[C@H](F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001328022747 1330542810 /nfs/dbraw/zinc/54/28/10/1330542810.db2.gz WJZJEMRCEINLGS-TUAOUCFPSA-N 0 0 338.335 2.993 10 5 EFBERN Cn1ncc(C(F)(F)F)c1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328056766 1330547365 /nfs/dbraw/zinc/54/73/65/1330547365.db2.gz LFRZHDPWSZBKTM-UHFFFAOYSA-N 0 0 340.261 2.503 10 5 EFBERN Cn1ncc(C2CCC2)c1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328057171 1330547384 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EFBERN CC(C)n1cc(COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)nn1 ZINC001329414541 1330705052 /nfs/dbraw/zinc/70/50/52/1330705052.db2.gz NUNYIEOECZNEBL-UHFFFAOYSA-N 0 0 334.229 2.903 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001329431426 1330706960 /nfs/dbraw/zinc/70/69/60/1330706960.db2.gz LATOCFDZRHSSMM-USXIJHARSA-N 0 0 341.342 2.844 10 5 EFBERN COC[C@@H](COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC001329455679 1330708549 /nfs/dbraw/zinc/70/85/49/1330708549.db2.gz RAIFZTYFWCMWPW-QMMMGPOBSA-N 0 0 338.143 2.720 10 5 EFBERN O=C(N[C@@H]1CNc2ccccc2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329676496 1330727566 /nfs/dbraw/zinc/72/75/66/1330727566.db2.gz YFBNAGBULNJAEY-HNNXBMFYSA-N 0 0 338.367 2.657 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@H]4CC[C@@H](O)[C@@H]43)c2c1 ZINC001329769769 1330735322 /nfs/dbraw/zinc/73/53/22/1330735322.db2.gz BMHMTVSUTRRVDF-REAQECSSSA-N 0 0 334.763 2.541 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCO[C@H](CCF)C3)c2c1 ZINC001329771634 1330735381 /nfs/dbraw/zinc/73/53/81/1330735381.db2.gz UYFVWXYXBLFCFK-SNVBAGLBSA-N 0 0 340.742 2.756 10 5 EFBERN CC(C)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC001329920619 1330750344 /nfs/dbraw/zinc/75/03/44/1330750344.db2.gz XTWDFCUXPBSUHM-UHFFFAOYSA-N 0 0 336.360 2.696 10 5 EFBERN O=C1CCCN1CCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001329965461 1330756830 /nfs/dbraw/zinc/75/68/30/1330756830.db2.gz RAYAQXLCBNRRES-UHFFFAOYSA-N 0 0 349.778 2.616 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCCN(Cc2cc(C)on2)CC1 ZINC001329974925 1330757690 /nfs/dbraw/zinc/75/76/90/1330757690.db2.gz YLIXBBYMJLJXRN-UHFFFAOYSA-N 0 0 346.387 2.612 10 5 EFBERN COc1cc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cnc1OC ZINC001329987959 1330759445 /nfs/dbraw/zinc/75/94/45/1330759445.db2.gz BCDTYRUTKKGUDA-UHFFFAOYSA-N 0 0 344.327 2.555 10 5 EFBERN O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001330910312 1330768830 /nfs/dbraw/zinc/76/88/30/1330768830.db2.gz MQWUTBXGWVBANG-YHPBZONMSA-N 0 0 348.309 2.758 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001331227843 1330808029 /nfs/dbraw/zinc/80/80/29/1330808029.db2.gz BUURPLTZWAIRFX-OUAUKWLOSA-N 0 0 326.299 2.524 10 5 EFBERN CC(C)[C@H](O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001331282625 1330815289 /nfs/dbraw/zinc/81/52/89/1330815289.db2.gz SAMHJIUIGYLGCG-SJORKVTESA-N 0 0 343.383 2.665 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001331327314 1330823294 /nfs/dbraw/zinc/82/32/94/1330823294.db2.gz IIOWLHGAWUMKOJ-FKTZTGRPSA-N 0 0 327.287 2.622 10 5 EFBERN C[C@H](Cc1nnc(COc2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC001331748649 1330871619 /nfs/dbraw/zinc/87/16/19/1330871619.db2.gz TWUSGNVVMKODFU-YPMHNXCESA-N 0 0 333.344 2.914 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001331863381 1330882379 /nfs/dbraw/zinc/88/23/79/1330882379.db2.gz WCLDKFWNQDYLHQ-LEUOFYLZSA-N 0 0 344.411 2.877 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nnc(CCSc3ccc(F)cc3)o2)n1 ZINC001331878215 1330883875 /nfs/dbraw/zinc/88/38/75/1330883875.db2.gz WLFXJDMLWOJQSK-UHFFFAOYSA-N 0 0 349.347 2.852 10 5 EFBERN Cc1nc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ncc1[N+](=O)[O-] ZINC001331891883 1330885934 /nfs/dbraw/zinc/88/59/34/1330885934.db2.gz PXUFSIIXMOQWDS-AWEZNQCLSA-N 0 0 341.371 2.623 10 5 EFBERN COc1cccc2[nH]cc(CCNc3c(C)cncc3[N+](=O)[O-])c21 ZINC001331955136 1330896584 /nfs/dbraw/zinc/89/65/84/1330896584.db2.gz ICBXAWCIBDVVIH-UHFFFAOYSA-N 0 0 326.356 2.865 10 5 EFBERN O=C(N[C@@H]1CCC[C@]12CCCO2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331956718 1330897119 /nfs/dbraw/zinc/89/71/19/1330897119.db2.gz YZVQVDZJEMZXHT-AEFFLSMTSA-N 0 0 345.399 2.764 10 5 EFBERN O=C(COC(=O)[C@H]1CCC[C@@H](F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001331989478 1330901319 /nfs/dbraw/zinc/90/13/19/1330901319.db2.gz RYALNAPDYXGELU-VHSXEESVSA-N 0 0 342.298 2.744 10 5 EFBERN CO[C@@H]1CC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001332085722 1330916258 /nfs/dbraw/zinc/91/62/58/1330916258.db2.gz XSYBIYRCBSRFHE-WCQYABFASA-N 0 0 326.780 2.865 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001332153456 1330929610 /nfs/dbraw/zinc/92/96/10/1330929610.db2.gz SNVSVZDLRAPCLD-MXWKQRLJSA-N 0 0 328.290 2.826 10 5 EFBERN CC(C)(C(=O)N[C@@H]1CC(C)(C)CC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001332171417 1330933178 /nfs/dbraw/zinc/93/31/78/1330933178.db2.gz DCSYUHQPXOPGMY-UKRRQHHQSA-N 0 0 334.416 2.928 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC(C)(C)CC[C@H]2O)c1F ZINC001332171306 1330933209 /nfs/dbraw/zinc/93/32/09/1330933209.db2.gz BXOIILAKODFINV-MWLCHTKSSA-N 0 0 342.342 2.851 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001332199916 1330939047 /nfs/dbraw/zinc/93/90/47/1330939047.db2.gz BVBLEPSCTADZRP-HOTGVXAUSA-N 0 0 333.388 2.714 10 5 EFBERN COCC1(C2CC2)CN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001332210188 1330941908 /nfs/dbraw/zinc/94/19/08/1330941908.db2.gz QNUDDKNTCJNZTE-LCYFTJDESA-N 0 0 330.384 2.883 10 5 EFBERN C[C@@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCO1 ZINC001332440518 1330972245 /nfs/dbraw/zinc/97/22/45/1330972245.db2.gz JQZZBKLEKVNUAL-KRWDZBQOSA-N 0 0 333.388 2.622 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC001332453771 1330973675 /nfs/dbraw/zinc/97/36/75/1330973675.db2.gz CPHWEZPFCYBLBQ-NSHDSACASA-N 0 0 349.334 2.756 10 5 EFBERN CCc1nccn1[C@@H](C)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332482912 1330976568 /nfs/dbraw/zinc/97/65/68/1330976568.db2.gz UMUAXGBYEDQHRJ-LBPRGKRZSA-N 0 0 328.372 2.847 10 5 EFBERN CN(Cc1nccn1C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001332612817 1330990306 /nfs/dbraw/zinc/99/03/06/1330990306.db2.gz IYSIVLACXSJHAM-UHFFFAOYSA-N 0 0 336.779 2.573 10 5 EFBERN Cc1ccc(C(=O)N2CCCc3ccnc(N(C)C)c32)cc1[N+](=O)[O-] ZINC001332692747 1331003099 /nfs/dbraw/zinc/00/30/99/1331003099.db2.gz XXWQPFAHRHVHML-UHFFFAOYSA-N 0 0 340.383 2.957 10 5 EFBERN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(F)F ZINC001332690801 1331003235 /nfs/dbraw/zinc/00/32/35/1331003235.db2.gz FTMZWIJBWVUDPZ-GSVOUGTGSA-N 0 0 329.122 2.802 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC001332892641 1331035601 /nfs/dbraw/zinc/03/56/01/1331035601.db2.gz DPMBCZHKRSXLQG-CYBMUJFWSA-N 0 0 333.388 2.716 10 5 EFBERN CC(C)(F)C(=O)NCC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001333280793 1331104890 /nfs/dbraw/zinc/10/48/90/1331104890.db2.gz WETYQNYAOZKXJM-UHFFFAOYSA-N 0 0 341.408 2.653 10 5 EFBERN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)OCCn1cc([N+](=O)[O-])cn1 ZINC001333293302 1331108019 /nfs/dbraw/zinc/10/80/19/1331108019.db2.gz VOGJUSJUPLIHQU-AAEUAGOBSA-N 0 0 329.303 2.550 10 5 EFBERN C[C@@H]1CCCC[C@@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC001333297763 1331109231 /nfs/dbraw/zinc/10/92/31/1331109231.db2.gz HBPMBVMRVJMHIN-GHMZBOCLSA-N 0 0 338.385 2.566 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001333722029 1331201589 /nfs/dbraw/zinc/20/15/89/1331201589.db2.gz UACFDEKJBHRZHU-DVVUODLYSA-N 0 0 341.314 2.931 10 5 EFBERN CNC(=O)c1ccc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001333721330 1331201879 /nfs/dbraw/zinc/20/18/79/1331201879.db2.gz LBOFHXACSPYFTG-OUAUKWLOSA-N 0 0 325.315 2.800 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001333781126 1331213368 /nfs/dbraw/zinc/21/33/68/1331213368.db2.gz XRKXNPAVNDXFNU-UTUOFQBUSA-N 0 0 339.342 2.804 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001334072322 1331244564 /nfs/dbraw/zinc/24/45/64/1331244564.db2.gz BEBYHMISDKLSLZ-OLZOCXBDSA-N 0 0 348.399 2.720 10 5 EFBERN Cc1c(CC(=O)NC[C@H]2CCC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC001334280072 1331277124 /nfs/dbraw/zinc/27/71/24/1331277124.db2.gz HMHZQQDPWXRAJH-OAHLLOKOSA-N 0 0 332.400 2.911 10 5 EFBERN O=C(C[C@H]1CC=CCC1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001334282495 1331277949 /nfs/dbraw/zinc/27/79/49/1331277949.db2.gz YPTBUFUELSNSPQ-INIZCTEOSA-N 0 0 343.427 2.985 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001334524086 1331289452 /nfs/dbraw/zinc/28/94/52/1331289452.db2.gz KVXNCTXULCVFIG-ILWJIGKKSA-N 0 0 341.270 2.585 10 5 EFBERN C[C@H](NCc1cc([N+](=O)[O-])ccc1Br)c1cn[nH]c1 ZINC001334778329 1331306297 /nfs/dbraw/zinc/30/62/97/1331306297.db2.gz BAIWEFPBESOJNE-QMMMGPOBSA-N 0 0 325.166 2.931 10 5 EFBERN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)c1cn[nH]c1 ZINC001334778326 1331306421 /nfs/dbraw/zinc/30/64/21/1331306421.db2.gz BAIWEFPBESOJNE-MRVPVSSYSA-N 0 0 325.166 2.931 10 5 EFBERN Cc1nccn1C[C@@H](C)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001335959286 1331420649 /nfs/dbraw/zinc/42/06/49/1331420649.db2.gz OUWLRGKNBNDENI-LBPRGKRZSA-N 0 0 348.378 2.624 10 5 EFBERN Cc1nccn1C[C@H](C)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001335959279 1331420736 /nfs/dbraw/zinc/42/07/36/1331420736.db2.gz OUWLRGKNBNDENI-GFCCVEGCSA-N 0 0 348.378 2.624 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)CCO1 ZINC001339162827 1331805943 /nfs/dbraw/zinc/80/59/43/1331805943.db2.gz YKLDMFOOFOPTKC-NXEZZACHSA-N 0 0 344.314 2.836 10 5 EFBERN CC(C)[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001339723573 1331942197 /nfs/dbraw/zinc/94/21/97/1331942197.db2.gz QJDPFRFRKBZLRK-MRXNPFEDSA-N 0 0 349.412 2.807 10 5 EFBERN CC(C)c1noc(CCNc2c3ccccc3ncc2[N+](=O)[O-])n1 ZINC001343743593 1332375320 /nfs/dbraw/zinc/37/53/20/1332375320.db2.gz RDHOEBIDJPOYQT-UHFFFAOYSA-N 0 0 327.344 2.726 10 5 EFBERN Cc1occc1CN(C)c1nnc(-c2cc([N+](=O)[O-])cc(C)n2)n1C ZINC001344219344 1332429713 /nfs/dbraw/zinc/42/97/13/1332429713.db2.gz SEPIEXWMEVHAGP-UHFFFAOYSA-N 0 0 342.359 2.632 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(OC)c(-c2ccccn2)c1 ZINC001344402851 1332449602 /nfs/dbraw/zinc/44/96/02/1332449602.db2.gz LLHJWLHTNNEKEX-CYBMUJFWSA-N 0 0 330.340 2.969 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cccc(OCc2cscn2)c1 ZINC001344402910 1332449687 /nfs/dbraw/zinc/44/96/87/1332449687.db2.gz MRKBGVWLNHPKQY-CYBMUJFWSA-N 0 0 336.369 2.934 10 5 EFBERN C[C@H](Cc1cnccn1)OC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001344750503 1332479924 /nfs/dbraw/zinc/47/99/24/1332479924.db2.gz PAYLCRGVNVYMBW-LLVKDONJSA-N 0 0 333.319 2.631 10 5 EFBERN COc1cc(C(=O)OC[C@]23CCC[C@@H]2OCC3)c([N+](=O)[O-])cc1F ZINC001344850363 1332487676 /nfs/dbraw/zinc/48/76/76/1332487676.db2.gz HFQUNEJJOPZBCK-GOEBONIOSA-N 0 0 339.319 2.859 10 5 EFBERN Cc1cc(NC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC001344874844 1332490297 /nfs/dbraw/zinc/49/02/97/1332490297.db2.gz HXGHHUZUQRPARG-JOYOIKCWSA-N 0 0 347.293 2.538 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccn(CC(F)F)n1 ZINC001344945376 1332497446 /nfs/dbraw/zinc/49/74/46/1332497446.db2.gz SHVMRTVCLKBFAJ-UHFFFAOYSA-N 0 0 325.271 2.722 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC001344999123 1332501288 /nfs/dbraw/zinc/50/12/88/1332501288.db2.gz IRGVOWGLXXDWAA-VIFPVBQESA-N 0 0 334.294 2.977 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)OC[C@@H]1CCOC2(CCOCC2)C1 ZINC001345003382 1332501800 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/nfs/dbraw/zinc/38/63/67/1389386367.db2.gz KBAXWUWBIVXUET-UHFFFAOYSA-N 0 0 327.300 2.590 10 5 EFBERN Cc1cc(NC(=O)c2cnn(C)c2Br)cc([N+](=O)[O-])c1 ZINC001440139010 1389407516 /nfs/dbraw/zinc/40/75/16/1389407516.db2.gz QKVHFTZUNPOETL-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN Cc1cc(NC(=O)CCc2ccccc2C(N)=O)cc([N+](=O)[O-])c1 ZINC001440140024 1389407541 /nfs/dbraw/zinc/40/75/41/1389407541.db2.gz SKRLRBRLLCDZTM-UHFFFAOYSA-N 0 0 327.340 2.573 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC001440484364 1389690207 /nfs/dbraw/zinc/69/02/07/1389690207.db2.gz PISFYACDUZHEOH-UHFFFAOYSA-N 0 0 349.730 2.869 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CSCCSC1 ZINC001440573925 1389757260 /nfs/dbraw/zinc/75/72/60/1389757260.db2.gz CGRBWMVAPKKFEY-LLVKDONJSA-N 0 0 341.458 2.927 10 5 EFBERN O=C(Nc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001440952200 1390040446 /nfs/dbraw/zinc/04/04/46/1390040446.db2.gz RYIFKNUVCQTCKP-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc3nc(C)oc3c2)c1[N+](=O)[O-] ZINC001441014737 1391033212 /nfs/dbraw/zinc/03/32/12/1391033212.db2.gz WMOALVCXPXZEDH-UHFFFAOYSA-N 0 0 327.300 2.733 10 5 EFBERN CC(=O)Nc1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC001441014749 1391033577 /nfs/dbraw/zinc/03/35/77/1391033577.db2.gz JFWHCWXOXPIUDF-MRXNPFEDSA-N 0 0 343.339 2.534 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCc1cccc(F)c1 ZINC001441109200 1391103188 /nfs/dbraw/zinc/10/31/88/1391103188.db2.gz FKCKZTJPCHYYMN-UHFFFAOYSA-N 0 0 349.293 2.761 10 5 EFBERN CCn1cc(CN(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001444228703 1391464861 /nfs/dbraw/zinc/46/48/61/1391464861.db2.gz PTQZPXFTVDCLNZ-UHFFFAOYSA-N 0 0 336.779 2.666 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001444996288 1391516644 /nfs/dbraw/zinc/51/66/44/1391516644.db2.gz QIDKPLWYBLRSLZ-NWDGAFQWSA-N 0 0 348.309 2.508 10 5 EFBERN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001446918726 1391636188 /nfs/dbraw/zinc/63/61/88/1391636188.db2.gz VAFQKTIKSPMNLV-IAQYHMDHSA-N 0 0 343.383 2.706 10 5 EFBERN O=C(N[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC001448240290 1392043632 /nfs/dbraw/zinc/04/36/32/1392043632.db2.gz AFUBZYSZVQHIJZ-NSHDSACASA-N 0 0 326.780 2.919 10 5 EFBERN CNc1nccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1[N+](=O)[O-] ZINC001449074196 1392250989 /nfs/dbraw/zinc/25/09/89/1392250989.db2.gz JCGUZBCWJBZJSM-UHFFFAOYSA-N 0 0 339.355 2.751 10 5 EFBERN CO[C@@H]([C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001449661813 1392283490 /nfs/dbraw/zinc/28/34/90/1392283490.db2.gz YGVZWLPYERHTFX-IYQDAUBNSA-N 0 0 345.758 2.513 10 5 EFBERN CO[C@H]([C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001449661805 1392283765 /nfs/dbraw/zinc/28/37/65/1392283765.db2.gz YGVZWLPYERHTFX-CAAJLBCPSA-N 0 0 345.758 2.513 10 5 EFBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001449995429 1392485060 /nfs/dbraw/zinc/48/50/60/1392485060.db2.gz AXLLTYYXWYPQAM-RITPCOANSA-N 0 0 340.689 2.774 10 5 EFBERN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001450577764 1392652854 /nfs/dbraw/zinc/65/28/54/1392652854.db2.gz BWZHPGVRLLOREC-IOASZLSFSA-N 0 0 336.388 2.845 10 5 EFBERN Nc1ncc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC001450685447 1392697262 /nfs/dbraw/zinc/69/72/62/1392697262.db2.gz GGZHOPPRTAHDDW-OAHLLOKOSA-N 0 0 338.323 2.684 10 5 EFBERN O=C(Nc1ccccc1OC(F)F)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001451170299 1392810876 /nfs/dbraw/zinc/81/08/76/1392810876.db2.gz RACAOOIIXNAPMB-CYBMUJFWSA-N 0 0 338.266 2.868 10 5 EFBERN CC(C)(C(=O)NCc1nc(C(F)F)no1)c1ccccc1[N+](=O)[O-] ZINC001451972680 1392857928 /nfs/dbraw/zinc/85/79/28/1392857928.db2.gz MPRVMMUWVHQYEY-UHFFFAOYSA-N 0 0 340.286 2.509 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1cnccc1C(F)(F)F ZINC001453802887 1392950429 /nfs/dbraw/zinc/95/04/29/1392950429.db2.gz DFKSRQDQWAODOF-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN CC(=O)Nc1cc(F)ccc1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001454899231 1394370808 /nfs/dbraw/zinc/37/08/08/1394370808.db2.gz KGAIPIXFHPRHDM-UHFFFAOYSA-N 0 0 345.330 2.931 10 5 EFBERN Cc1ccc(CNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)cc1[N+](=O)[O-] ZINC001454902466 1394378557 /nfs/dbraw/zinc/37/85/57/1394378557.db2.gz WOGAZNYZIQEGTL-HZMBPMFUSA-N 0 0 328.372 2.609 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1nc2c(cccc2F)[nH]1 ZINC001455157549 1394570126 /nfs/dbraw/zinc/57/01/26/1394570126.db2.gz AMRZAIHTBBFGRL-UHFFFAOYSA-N 0 0 346.293 2.988 10 5 EFBERN Cc1cnccc1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455678444 1394638834 /nfs/dbraw/zinc/63/88/34/1394638834.db2.gz JPKHDFZWDAGNQJ-UHFFFAOYSA-N 0 0 339.355 2.537 10 5 EFBERN COC(=O)c1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001456284656 1394660105 /nfs/dbraw/zinc/66/01/05/1394660105.db2.gz KJHWGSBYEDMYRG-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1c(F)cccc1-n1cccn1 ZINC001456452981 1394696091 /nfs/dbraw/zinc/69/60/91/1394696091.db2.gz BHEZWADJZJIOTR-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN COc1ccc([C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C2CCC2)cc1 ZINC001456671331 1394757122 /nfs/dbraw/zinc/75/71/22/1394757122.db2.gz LWJVBWRZSXXRGZ-CQSZACIVSA-N 0 0 330.344 2.598 10 5 EFBERN C[C@H](O)C(C)(C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001456790777 1394808923 /nfs/dbraw/zinc/80/89/23/1394808923.db2.gz ZBYDECDWZVNUQX-JTQLQIEISA-N 0 0 344.795 2.540 10 5 EFBERN O=C(Nc1cc(Cl)cc2c[nH]nc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001457038400 1394935669 /nfs/dbraw/zinc/93/56/69/1394935669.db2.gz FVJNSQUPSWDJLU-UHFFFAOYSA-N 0 0 341.114 2.753 10 5 EFBERN Cn1cnc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)c1 ZINC001457060858 1394948973 /nfs/dbraw/zinc/94/89/73/1394948973.db2.gz UUXBVONUOQBPQI-UHFFFAOYSA-N 0 0 347.133 2.704 10 5 EFBERN COC(=O)c1cc(C)cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001457165078 1395012817 /nfs/dbraw/zinc/01/28/17/1395012817.db2.gz RGCDDLGSSAIDNK-UHFFFAOYSA-N 0 0 340.335 2.846 10 5 EFBERN Cc1cc(NC(=O)c2cccnc2-c2cnn(C)c2)cc([N+](=O)[O-])c1 ZINC001457200520 1395028082 /nfs/dbraw/zinc/02/80/82/1395028082.db2.gz PHLOXPGNDDNYHX-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Cc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001457289076 1395055695 /nfs/dbraw/zinc/05/56/95/1395055695.db2.gz KVXMKWGMOHNHEC-OAHLLOKOSA-N 0 0 340.339 2.738 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001457416353 1395103968 /nfs/dbraw/zinc/10/39/68/1395103968.db2.gz NEIUJLMOQOSRJQ-NSHDSACASA-N 0 0 342.417 2.591 10 5 EFBERN CCc1cnc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC001457498705 1395161352 /nfs/dbraw/zinc/16/13/52/1395161352.db2.gz SABQOFHRVLIEAF-UHFFFAOYSA-N 0 0 327.300 2.583 10 5 EFBERN CNc1ccc(C(=O)Nc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC001457575457 1395227117 /nfs/dbraw/zinc/22/71/17/1395227117.db2.gz DFGWNZYPHHGDRH-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN CC[C@H](CNc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001457821850 1395347529 /nfs/dbraw/zinc/34/75/29/1395347529.db2.gz HYKBZUDNINUBKG-GFCCVEGCSA-N 0 0 346.362 2.937 10 5 EFBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ncc(Cl)cn1 ZINC001457912241 1395384893 /nfs/dbraw/zinc/38/48/93/1395384893.db2.gz XZDHPJZDJDKGDI-UHFFFAOYSA-N 0 0 344.718 2.681 10 5 EFBERN Cc1n[nH]cc1CCCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458082430 1395404475 /nfs/dbraw/zinc/40/44/75/1395404475.db2.gz GWAUDGAIMKIOII-UHFFFAOYSA-N 0 0 341.371 2.523 10 5 EFBERN C[C@H]1CN(c2ccc(Nc3nn(C)cc3[N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC001458105073 1395407550 /nfs/dbraw/zinc/40/75/50/1395407550.db2.gz AHTVDMYBTGVBNX-QWRGUYRKSA-N 0 0 349.366 2.825 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](c2ccncn2)C1 ZINC001458125437 1395410665 /nfs/dbraw/zinc/41/06/65/1395410665.db2.gz XMGAFSDZCMMTOK-NSHDSACASA-N 0 0 329.316 2.677 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCCCC(=O)OC)cc1C ZINC001458145524 1395414622 /nfs/dbraw/zinc/41/46/22/1395414622.db2.gz QWMIOTGENMEUIS-UHFFFAOYSA-N 0 0 338.360 2.835 10 5 EFBERN CC(C)(C)C[C@@H](O)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001458189442 1395422691 /nfs/dbraw/zinc/42/26/91/1395422691.db2.gz UBDYYPNPPMAHCA-LLVKDONJSA-N 0 0 348.359 2.682 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2cccc(Cl)c2n1 ZINC001458227161 1395427218 /nfs/dbraw/zinc/42/72/18/1395427218.db2.gz AWQZZXWLFVXNIS-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN COc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(Cl)n1 ZINC001458225547 1395427517 /nfs/dbraw/zinc/42/75/17/1395427517.db2.gz PWODSWHXVMEOII-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN NC(=O)C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001458226396 1395427546 /nfs/dbraw/zinc/42/75/46/1395427546.db2.gz DSDBXTFFYNMACK-GFCCVEGCSA-N 0 0 338.726 2.811 10 5 EFBERN CO[C@@H]1[C@@H](C)[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1(C)C ZINC001458284950 1395437462 /nfs/dbraw/zinc/43/74/62/1395437462.db2.gz PMPZOHGXNMPCGK-SKWCMTHISA-N 0 0 336.314 2.819 10 5 EFBERN COc1cc(C(=O)Nc2ccc3c(c2)N(C)CC3)c([N+](=O)[O-])cc1F ZINC001458320973 1395445839 /nfs/dbraw/zinc/44/58/39/1395445839.db2.gz WUFWFOJVQZEYFA-UHFFFAOYSA-N 0 0 345.330 2.987 10 5 EFBERN COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c3ncccc23)nn1 ZINC001458334414 1395448060 /nfs/dbraw/zinc/44/80/60/1395448060.db2.gz QFHCKSQTGJGBFP-UHFFFAOYSA-N 0 0 326.268 2.512 10 5 EFBERN NC(=O)c1cc(NCc2c(F)cc(F)c(F)c2F)ccc1[N+](=O)[O-] ZINC001458366161 1395454272 /nfs/dbraw/zinc/45/42/72/1395454272.db2.gz GMRFIYMYWZRDTM-UHFFFAOYSA-N 0 0 343.236 2.862 10 5 EFBERN Cc1nnc([C@@H](C)Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])[nH]1 ZINC001458372940 1395454929 /nfs/dbraw/zinc/45/49/29/1395454929.db2.gz WWTNIBGTBCCBGF-SSDOTTSWSA-N 0 0 332.751 2.818 10 5 EFBERN CO[C@@](C)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC001458384576 1395457852 /nfs/dbraw/zinc/45/78/52/1395457852.db2.gz KBVFOIDELHXQAF-KRWDZBQOSA-N 0 0 329.356 2.667 10 5 EFBERN CNS(=O)(=O)c1ccc(N2CCCCCCCC2)c([N+](=O)[O-])c1 ZINC001458389384 1395458063 /nfs/dbraw/zinc/45/80/63/1395458063.db2.gz VUKGBLHLRRPJSO-UHFFFAOYSA-N 0 0 341.433 2.664 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C2)C3(F)F)c2ccccc21 ZINC001458433049 1395466728 /nfs/dbraw/zinc/46/67/28/1395466728.db2.gz SPHIIKPMHQBAPS-MNOVXSKESA-N 0 0 335.310 2.538 10 5 EFBERN CC[C@H](OC(=O)c1ccnc2c1nnn2C)c1cccc([N+](=O)[O-])c1 ZINC001458460290 1395473391 /nfs/dbraw/zinc/47/33/91/1395473391.db2.gz IFSXSKRBSANNLN-ZDUSSCGKSA-N 0 0 341.327 2.580 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NCCCCCCNC(=O)OC(C)(C)C ZINC001458457970 1395473435 /nfs/dbraw/zinc/47/34/35/1395473435.db2.gz YFASCKARABBSLC-UHFFFAOYSA-N 0 0 341.412 2.825 10 5 EFBERN O=C(COC(F)(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001458505310 1395483995 /nfs/dbraw/zinc/48/39/95/1395483995.db2.gz WMENXWMEALKARG-UHFFFAOYSA-N 0 0 343.055 2.832 10 5 EFBERN COC(=O)c1cc(CNc2nc3ccccc3cc2[N+](=O)[O-])ccn1 ZINC001458511490 1395485578 /nfs/dbraw/zinc/48/55/78/1395485578.db2.gz DHFAMOXBONOUOG-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)n1 ZINC001458529385 1395490197 /nfs/dbraw/zinc/49/01/97/1395490197.db2.gz WNYIANWXBKHXNU-ZWKOPEQDSA-N 0 0 349.188 2.841 10 5 EFBERN COC(=O)[C@@]1(C)CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001458534872 1395491640 /nfs/dbraw/zinc/49/16/40/1395491640.db2.gz FQPQDKFEECDKTE-VFZGTOFNSA-N 0 0 342.779 2.892 10 5 EFBERN NC(=O)Cc1cccc2c1CCN(c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001458535052 1395491661 /nfs/dbraw/zinc/49/16/61/1395491661.db2.gz GBAOSLWPWGCMGM-UHFFFAOYSA-N 0 0 345.786 2.839 10 5 EFBERN CCc1cc(N[C@H](CC)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458541589 1395493636 /nfs/dbraw/zinc/49/36/36/1395493636.db2.gz BUIQNNNHKOTAFL-TZMCWYRMSA-N 0 0 344.415 2.998 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@H](CO)Cc2ccoc2)c2ccccc21 ZINC001458560640 1395498620 /nfs/dbraw/zinc/49/86/20/1395498620.db2.gz GNWKJVWWTUDHSZ-CYBMUJFWSA-N 0 0 327.340 2.999 10 5 EFBERN Cc1cc(NCC[C@@]2(O)C(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC001458565887 1395501612 /nfs/dbraw/zinc/50/16/12/1395501612.db2.gz YCVSXWZMJJLGSY-KRWDZBQOSA-N 0 0 327.340 2.545 10 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/nfs/dbraw/zinc/53/00/99/1395530099.db2.gz BJKPNVXMLNWRCF-UHFFFAOYSA-N 0 0 336.342 2.920 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NCCCONC(=O)OC(C)(C)C)n1 ZINC001458654994 1395541570 /nfs/dbraw/zinc/54/15/70/1395541570.db2.gz JFBUBNOGFREUHN-UHFFFAOYSA-N 0 0 326.353 2.557 10 5 EFBERN Cc1cc(=O)[nH]c(N2CCC(Nc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC001458653657 1395541874 /nfs/dbraw/zinc/54/18/74/1395541874.db2.gz IDBXOQSSMUGPME-UHFFFAOYSA-N 0 0 347.350 2.619 10 5 EFBERN CNC(=O)c1ccc(NCc2c(F)cccc2OC)c([N+](=O)[O-])c1 ZINC001458656965 1395542677 /nfs/dbraw/zinc/54/26/77/1395542677.db2.gz FBGZNMKGBKEJDF-UHFFFAOYSA-N 0 0 333.319 2.714 10 5 EFBERN CCOC(=O)c1cnc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC001458659569 1395543423 /nfs/dbraw/zinc/54/34/23/1395543423.db2.gz NKXAOCZDPDVTKO-LLVKDONJSA-N 0 0 330.344 2.777 10 5 EFBERN O=[N+]([O-])c1c(NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)ccc2ncccc21 ZINC001458672647 1395545681 /nfs/dbraw/zinc/54/56/81/1395545681.db2.gz NAPRDFPITTXBFM-YOGCLGLASA-N 0 0 347.396 2.663 10 5 EFBERN CCN(CC)S(=O)(=O)c1ccc(NC/C=C/Cl)c([N+](=O)[O-])c1 ZINC001458678811 1395546982 /nfs/dbraw/zinc/54/69/82/1395546982.db2.gz ZJYZSKLGFSIVJR-VMPITWQZSA-N 0 0 347.824 2.790 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H]2CCOC23CCCC3)c1[N+](=O)[O-] ZINC001458682090 1395548009 /nfs/dbraw/zinc/54/80/09/1395548009.db2.gz NWDPWZQWRQDIIU-GFCCVEGCSA-N 0 0 335.360 2.598 10 5 EFBERN COc1cc(N2CCc3ccnc(N)c3C2)c(Cl)cc1[N+](=O)[O-] ZINC001458705963 1395556048 /nfs/dbraw/zinc/55/60/48/1395556048.db2.gz UCSSRXMMTACSNO-UHFFFAOYSA-N 0 0 334.763 2.797 10 5 EFBERN Cc1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001458715961 1395560966 /nfs/dbraw/zinc/56/09/66/1395560966.db2.gz IDLWYFAPGCUWGV-UHFFFAOYSA-N 0 0 337.380 2.505 10 5 EFBERN CN1C(=O)Cc2cc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC001458718479 1395562370 /nfs/dbraw/zinc/56/23/70/1395562370.db2.gz XYIIMKCNINVAIG-UHFFFAOYSA-N 0 0 342.311 2.634 10 5 EFBERN O=C(Nc1cccc(F)n1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001458748834 1395573164 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/nfs/dbraw/zinc/76/91/30/1395769130.db2.gz OEAKLQYZGMBTMK-UHFFFAOYSA-N 0 0 345.233 2.525 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC001460052376 1396001762 /nfs/dbraw/zinc/00/17/62/1396001762.db2.gz YBAJVWGLYIPZJN-UHFFFAOYSA-N 0 0 342.714 2.528 10 5 EFBERN COc1c(C(=O)Nc2ccc3c(n2)CCCC3=O)cccc1[N+](=O)[O-] ZINC001460091079 1396004310 /nfs/dbraw/zinc/00/43/10/1396004310.db2.gz BOPZQCYMWBKJKW-UHFFFAOYSA-N 0 0 341.323 2.770 10 5 EFBERN CCC1(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCCC1 ZINC001460230799 1396014178 /nfs/dbraw/zinc/01/41/78/1396014178.db2.gz DJVQLYIIECISCR-OAHLLOKOSA-N 0 0 331.372 2.927 10 5 EFBERN Cc1ccn2ncnc2c1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001460398186 1396055411 /nfs/dbraw/zinc/05/54/11/1396055411.db2.gz KTHUOBCQLUEDNZ-KBPBESRZSA-N 0 0 337.339 2.688 10 5 EFBERN Cc1ccn2ncnc2c1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC001460403336 1396060677 /nfs/dbraw/zinc/06/06/77/1396060677.db2.gz STBYYKNLFVLPRD-UHFFFAOYSA-N 0 0 329.291 2.646 10 5 EFBERN NC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC001460416916 1396068962 /nfs/dbraw/zinc/06/89/62/1396068962.db2.gz SWWJXBUHBUNNHJ-CQSZACIVSA-N 0 0 347.758 2.595 10 5 EFBERN O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2c2ncccn2)cc1 ZINC001460718769 1396247481 /nfs/dbraw/zinc/24/74/81/1396247481.db2.gz UULJVUMOUBUAPU-INIZCTEOSA-N 0 0 328.372 2.991 10 5 EFBERN COCc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001460729265 1396247540 /nfs/dbraw/zinc/24/75/40/1396247540.db2.gz KKXWXVDHFMFOJM-UHFFFAOYSA-N 0 0 345.307 2.732 10 5 EFBERN C[C@H]1CC[C@@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)O1 ZINC001460727610 1396247603 /nfs/dbraw/zinc/24/76/03/1396247603.db2.gz MSCRGWSWVXSRIN-JQWIXIFHSA-N 0 0 329.356 2.628 10 5 EFBERN COC1(c2nccn2C)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001460755081 1396251660 /nfs/dbraw/zinc/25/16/60/1396251660.db2.gz VVMKVPSGAOARRF-UHFFFAOYSA-N 0 0 348.378 2.605 10 5 EFBERN CC(C)(C)[C@@H]1CNC(=O)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460830397 1396261141 /nfs/dbraw/zinc/26/11/41/1396261141.db2.gz GVTUSXNOTBOJDR-ZDUSSCGKSA-N 0 0 325.796 2.595 10 5 EFBERN C[C@H]1C(=O)CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001460879880 1396266738 /nfs/dbraw/zinc/26/67/38/1396266738.db2.gz COLJLINYCQXIIZ-VIFPVBQESA-N 0 0 327.178 2.911 10 5 EFBERN CC(C)(C)OC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H]2C[C@H]21 ZINC001460905060 1396268119 /nfs/dbraw/zinc/26/81/19/1396268119.db2.gz OZZWKRUGXJICEI-LSDHHAIUSA-N 0 0 333.388 2.788 10 5 EFBERN O=C(NCc1nnc(C2CC2)s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001460918292 1396268857 /nfs/dbraw/zinc/26/88/57/1396268857.db2.gz DZVIISQXVQMRND-UHFFFAOYSA-N 0 0 338.776 2.907 10 5 EFBERN Cn1ccnc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001460934193 1396271378 /nfs/dbraw/zinc/27/13/78/1396271378.db2.gz TWUJQQOKASSUQL-UHFFFAOYSA-N 0 0 332.363 2.527 10 5 EFBERN COC(=O)c1ccc2c(c1)N(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001460940630 1396271636 /nfs/dbraw/zinc/27/16/36/1396271636.db2.gz XBVROHVSGBFZES-UHFFFAOYSA-N 0 0 342.351 2.823 10 5 EFBERN COC1([C@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC001460997988 1396280351 /nfs/dbraw/zinc/28/03/51/1396280351.db2.gz YHVKGANZUCRHBG-JTQLQIEISA-N 0 0 342.779 2.562 10 5 EFBERN O=C(Nc1cccnc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001461163582 1396295595 /nfs/dbraw/zinc/29/55/95/1396295595.db2.gz TVVKJYFQENYZCK-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2ccn3nccc3n2)ccc1[N+](=O)[O-] ZINC001461166388 1396295961 /nfs/dbraw/zinc/29/59/61/1396295961.db2.gz DGUVLLYUDDLPRY-UHFFFAOYSA-N 0 0 341.327 2.677 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccn2nccc2n1 ZINC001461170710 1396296950 /nfs/dbraw/zinc/29/69/50/1396296950.db2.gz UTAFWIBTZAVLJF-UHFFFAOYSA-N 0 0 345.746 2.862 10 5 EFBERN Nc1c(C(=O)Nc2ccn3nccc3n2)cc2ccccc2c1[N+](=O)[O-] ZINC001461167868 1396297086 /nfs/dbraw/zinc/29/70/86/1396297086.db2.gz LVBGOWIHJYLXRC-UHFFFAOYSA-N 0 0 348.322 2.625 10 5 EFBERN C[C@@H](Oc1cccnc1)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001461450500 1396381112 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339.351 2.784 10 5 EFBERN COc1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cnc1OC ZINC001461640741 1396396735 /nfs/dbraw/zinc/39/67/35/1396396735.db2.gz MSLVKBURCOMPCS-UHFFFAOYSA-N 0 0 335.291 2.707 10 5 EFBERN Cn1cc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n1 ZINC001461704949 1396400894 /nfs/dbraw/zinc/40/08/94/1396400894.db2.gz IYFJINLDOPTCKJ-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN Cc1cccc2c1C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)CO2 ZINC001461743601 1396402152 /nfs/dbraw/zinc/40/21/52/1396402152.db2.gz IDIGUOOLWWXPRA-ZDUSSCGKSA-N 0 0 330.315 2.776 10 5 EFBERN COCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC001461945276 1396413355 /nfs/dbraw/zinc/41/33/55/1396413355.db2.gz RMVCKDPHGQQWQL-UHFFFAOYSA-N 0 0 330.340 2.931 10 5 EFBERN COc1cc(CCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)ccn1 ZINC001462036266 1396417178 /nfs/dbraw/zinc/41/71/78/1396417178.db2.gz YOVDWLNTKCFWPT-UHFFFAOYSA-N 0 0 329.356 2.588 10 5 EFBERN CCC(C)(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001462075329 1396418894 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EFBERN CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)[C@H]1C ZINC001467294376 1396837727 /nfs/dbraw/zinc/83/77/27/1396837727.db2.gz YWJPACOSXSRRBI-NWDGAFQWSA-N 0 0 338.429 2.940 10 5 EFBERN COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001467614436 1396876748 /nfs/dbraw/zinc/87/67/48/1396876748.db2.gz LOUYXPTUDVNPOZ-LLVKDONJSA-N 0 0 344.371 2.876 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(F)cc(F)c(F)c1F ZINC001467774080 1396894995 /nfs/dbraw/zinc/89/49/95/1396894995.db2.gz SSJLPAAWDOZNEV-UHFFFAOYSA-N 0 0 343.236 2.663 10 5 EFBERN COC(=O)c1ccccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001467890500 1396906306 /nfs/dbraw/zinc/90/63/06/1396906306.db2.gz VEILDTZVSLMXAL-UHFFFAOYSA-N 0 0 342.351 2.696 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(F)cc1N ZINC001467887644 1396906719 /nfs/dbraw/zinc/90/67/19/1396906719.db2.gz BWUWZPPBCLJZCA-UHFFFAOYSA-N 0 0 335.310 2.770 10 5 EFBERN CNc1ccc(C(=O)N(CCOC)c2ccccc2)cc1[N+](=O)[O-] ZINC001468082939 1396925140 /nfs/dbraw/zinc/92/51/40/1396925140.db2.gz DOCUCNHBHFZJIV-UHFFFAOYSA-N 0 0 329.356 2.930 10 5 EFBERN Cc1ncsc1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001468198133 1396932551 /nfs/dbraw/zinc/93/25/51/1396932551.db2.gz ABVPYAJGABLZGZ-UHFFFAOYSA-N 0 0 330.369 2.814 10 5 EFBERN Cc1noc(-c2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cn2)n1 ZINC001468192033 1396932608 /nfs/dbraw/zinc/93/26/08/1396932608.db2.gz ZPVYNPCIUONTMO-UHFFFAOYSA-N 0 0 339.311 2.909 10 5 EFBERN COCCCn1cc(C)c(NC(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC001468193734 1396932734 /nfs/dbraw/zinc/93/27/34/1396932734.db2.gz QNGWGLPPJCPVFA-UHFFFAOYSA-N 0 0 332.360 2.697 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2n[nH]nc21 ZINC001468234521 1396936229 /nfs/dbraw/zinc/93/62/29/1396936229.db2.gz DCBXAMUFUCWXRO-UHFFFAOYSA-N 0 0 340.343 2.939 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@](CO)(C(C)C)C1 ZINC001468389337 1396952370 /nfs/dbraw/zinc/95/23/70/1396952370.db2.gz JXTSCLZQVUPBSO-QGZVFWFLSA-N 0 0 338.379 2.913 10 5 EFBERN Cc1nocc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001468474832 1396960992 /nfs/dbraw/zinc/96/09/92/1396960992.db2.gz YUCCVXMNKJUJJE-UHFFFAOYSA-N 0 0 344.352 2.945 10 5 EFBERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001468661495 1396977622 /nfs/dbraw/zinc/97/76/22/1396977622.db2.gz ONQGHYYGNJPLHR-JMSVASOKSA-N 0 0 340.383 2.979 10 5 EFBERN COc1cc(C(=O)N[C@H](C)[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC001468686412 1396979531 /nfs/dbraw/zinc/97/95/31/1396979531.db2.gz NVOYYHUSIJGZEU-HWPZZCPQSA-N 0 0 348.330 2.594 10 5 EFBERN Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001468888405 1396990028 /nfs/dbraw/zinc/99/00/28/1396990028.db2.gz BDYQBKHPZRPGKQ-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN Cc1ccc(Br)c(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC001469073139 1396999640 /nfs/dbraw/zinc/99/96/40/1396999640.db2.gz FFCYCJKWKVYMAT-UHFFFAOYSA-N 0 0 338.161 2.924 10 5 EFBERN CSc1cncc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC001469166852 1397007644 /nfs/dbraw/zinc/00/76/44/1397007644.db2.gz OBVIWUFDZDYDHW-UHFFFAOYSA-N 0 0 347.381 2.969 10 5 EFBERN CC(C)[C@@H](O)C1(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001546173578 1397015947 /nfs/dbraw/zinc/01/59/47/1397015947.db2.gz IWTMRGMLZLNZLB-OAHLLOKOSA-N 0 0 340.807 2.704 10 5 EFBERN Cc1cc(=O)[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC001469287739 1397018108 /nfs/dbraw/zinc/01/81/08/1397018108.db2.gz KKAJVHFUGZCZNA-UHFFFAOYSA-N 0 0 339.254 2.858 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Oc1cccc2c1OCCC2 ZINC001469407021 1397029225 /nfs/dbraw/zinc/02/92/25/1397029225.db2.gz XHNWOVBPQZAWJD-UHFFFAOYSA-N 0 0 332.287 2.860 10 5 EFBERN CCOC(=O)[C@H]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001469432432 1397031123 /nfs/dbraw/zinc/03/11/23/1397031123.db2.gz MIGWEHBHAMVWCM-DZGCQCFKSA-N 0 0 349.387 2.641 10 5 EFBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1c(Cl)cccc1Cl ZINC001469512296 1397034230 /nfs/dbraw/zinc/03/42/30/1397034230.db2.gz DXSLBLILVVHHJA-UHFFFAOYSA-N 0 0 342.138 2.842 10 5 EFBERN CC(C)c1nc([C@@H](CO)NC(=O)Cc2ccccc2[N+](=O)[O-])cs1 ZINC001469597798 1397041053 /nfs/dbraw/zinc/04/10/53/1397041053.db2.gz OSRVYFMAZVTAMP-GFCCVEGCSA-N 0 0 349.412 2.567 10 5 EFBERN COc1cccc(F)c1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001469651270 1397045949 /nfs/dbraw/zinc/04/59/49/1397045949.db2.gz GMXXNKOXLUNAHG-UHFFFAOYSA-N 0 0 347.346 2.784 10 5 EFBERN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC001469647965 1397046351 /nfs/dbraw/zinc/04/63/51/1397046351.db2.gz GIXOBLFKEPKOBY-UHFFFAOYSA-N 0 0 348.269 2.694 10 5 EFBERN CC(C)(C)c1coc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC001469651833 1397046798 /nfs/dbraw/zinc/04/67/98/1397046798.db2.gz KEAPZOUKYCKOIG-UHFFFAOYSA-N 0 0 346.387 2.922 10 5 EFBERN C[C@@H]1CCC(C)(C)N1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001469974723 1397062979 /nfs/dbraw/zinc/06/29/79/1397062979.db2.gz YFGIHXJKEHDLIY-SNVBAGLBSA-N 0 0 331.376 2.944 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3ccc(O)cc32)c1 ZINC001470247656 1397081358 /nfs/dbraw/zinc/08/13/58/1397081358.db2.gz ANPDRWQMWKSOEX-OAHLLOKOSA-N 0 0 328.324 2.726 10 5 EFBERN COc1cnc(F)c(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001470746541 1397117036 /nfs/dbraw/zinc/11/70/36/1397117036.db2.gz JVTRKIAPOQAKMY-UHFFFAOYSA-N 0 0 340.698 2.625 10 5 EFBERN Cc1ccc(NCCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC001471238012 1397152971 /nfs/dbraw/zinc/15/29/71/1397152971.db2.gz WQXQBJMNQSNPTP-ZDUSSCGKSA-N 0 0 343.387 2.771 10 5 EFBERN COC(=O)c1cc(F)cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001471243731 1397153392 /nfs/dbraw/zinc/15/33/92/1397153392.db2.gz XDSWOMFYCXWKNO-UHFFFAOYSA-N 0 0 346.314 2.759 10 5 EFBERN Cc1ccc([C@@H](O)CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001471323003 1397160253 /nfs/dbraw/zinc/16/02/53/1397160253.db2.gz ZCMHSMSDRZYSQC-DYVFJYSZSA-N 0 0 343.383 2.997 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001471352981 1397164480 /nfs/dbraw/zinc/16/44/80/1397164480.db2.gz RNCUWENVHQDOTH-YQPCPPDFSA-N 0 0 345.399 2.660 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(C(F)(F)F)n[nH]1 ZINC001471379674 1397166726 /nfs/dbraw/zinc/16/67/26/1397166726.db2.gz DNDLUXLTPPFSKL-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001471433213 1397171239 /nfs/dbraw/zinc/17/12/39/1397171239.db2.gz DOCZQMNZWFYLGS-VIFPVBQESA-N 0 0 326.312 2.809 10 5 EFBERN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC001471452671 1397172657 /nfs/dbraw/zinc/17/26/57/1397172657.db2.gz CPWOUFBLVODAIC-MRXNPFEDSA-N 0 0 342.351 2.751 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](CO)CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001471466422 1397174387 /nfs/dbraw/zinc/17/43/87/1397174387.db2.gz VYWXWASKBUOAGZ-STQMWFEESA-N 0 0 337.420 2.795 10 5 EFBERN C[C@H](CNC(=O)NC[C@]1(O)CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001471463229 1397174546 /nfs/dbraw/zinc/17/45/46/1397174546.db2.gz BMHCKKBEMOQTLP-FZKQIMNGSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](C1CC1)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC001471464878 1397174628 /nfs/dbraw/zinc/17/46/28/1397174628.db2.gz MADHDLRVVCGEBL-WBMJQRKESA-N 0 0 349.431 2.795 10 5 EFBERN C[C@H](CNC(=O)N[C@@H]1CC(C)(C)CC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001471464893 1397174664 /nfs/dbraw/zinc/17/46/64/1397174664.db2.gz MDCUBMCXCRPHGE-XNRPHZJLSA-N 0 0 349.431 2.937 10 5 EFBERN O=C(NC[C@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001471488062 1397176456 /nfs/dbraw/zinc/17/64/56/1397176456.db2.gz YVSWVEKAKLBIML-SECBINFHSA-N 0 0 347.749 2.565 10 5 EFBERN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001471492084 1397177144 /nfs/dbraw/zinc/17/71/44/1397177144.db2.gz WSPAJFRUPYIHMD-VIFPVBQESA-N 0 0 347.749 2.565 10 5 EFBERN CNc1ccc(C(=O)NCc2ccc(C)nc2Cl)cc1[N+](=O)[O-] ZINC001471584245 1397186443 /nfs/dbraw/zinc/18/64/43/1397186443.db2.gz JLDZRSGKYZRBPE-UHFFFAOYSA-N 0 0 334.763 2.923 10 5 EFBERN Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc(O)c1C ZINC001471605961 1397188417 /nfs/dbraw/zinc/18/84/17/1397188417.db2.gz YQVDBWYJFXMHGZ-UHFFFAOYSA-N 0 0 344.323 2.941 10 5 EFBERN Cc1n[nH]c(C(=O)NCc2cccc(OC(C)(C)C)c2)c1[N+](=O)[O-] ZINC001471712245 1397200152 /nfs/dbraw/zinc/20/01/52/1397200152.db2.gz UYKKEPFPGRVHGE-UHFFFAOYSA-N 0 0 332.360 2.734 10 5 EFBERN CC1(C)CO[C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001471722906 1397201882 /nfs/dbraw/zinc/20/18/82/1397201882.db2.gz AARUYLSXJMDOIL-LLVKDONJSA-N 0 0 326.780 2.722 10 5 EFBERN CC1(C)CO[C@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001471722907 1397202318 /nfs/dbraw/zinc/20/23/18/1397202318.db2.gz AARUYLSXJMDOIL-NSHDSACASA-N 0 0 326.780 2.722 10 5 EFBERN CC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001471743588 1397202850 /nfs/dbraw/zinc/20/28/50/1397202850.db2.gz UXMMXFJVQJOFEU-MLGOLLRUSA-N 0 0 346.387 2.683 10 5 EFBERN CC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001471743582 1397203135 /nfs/dbraw/zinc/20/31/35/1397203135.db2.gz UXMMXFJVQJOFEU-BLLLJJGKSA-N 0 0 346.387 2.683 10 5 EFBERN O=C(Nc1cccc2nc[nH]c(=O)c21)c1ccc([N+](=O)[O-])cc1F ZINC001471782206 1397205344 /nfs/dbraw/zinc/20/53/44/1397205344.db2.gz SBRBJLOIMDKYFE-UHFFFAOYSA-N 0 0 328.259 2.635 10 5 EFBERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001471800701 1397208832 /nfs/dbraw/zinc/20/88/32/1397208832.db2.gz MVLSXGMBOSJOHN-GHMZBOCLSA-N 0 0 337.376 2.685 10 5 EFBERN C[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001471800702 1397208871 /nfs/dbraw/zinc/20/88/71/1397208871.db2.gz MVLSXGMBOSJOHN-MNOVXSKESA-N 0 0 337.376 2.685 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](c2ncon2)C1 ZINC001471967789 1397228166 /nfs/dbraw/zinc/22/81/66/1397228166.db2.gz GBFIBPMWPFDLDX-SNVBAGLBSA-N 0 0 336.735 2.651 10 5 EFBERN O=C(N=[S@@]1(=O)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001471988096 1397231489 /nfs/dbraw/zinc/23/14/89/1397231489.db2.gz GWDDPEDSPMCSGT-HSZRJFAPSA-N 0 0 334.328 2.957 10 5 EFBERN CCOC(=O)[C@](C)(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC(C)C ZINC001472003498 1397233080 /nfs/dbraw/zinc/23/30/80/1397233080.db2.gz JEOZOEXHXLRCDI-INIZCTEOSA-N 0 0 330.425 2.554 10 5 EFBERN COC(=O)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1CCCCCC1 ZINC001472006103 1397233489 /nfs/dbraw/zinc/23/34/89/1397233489.db2.gz SSKCSJGLJZVDJV-AWEZNQCLSA-N 0 0 342.436 2.698 10 5 EFBERN Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001472013086 1397234424 /nfs/dbraw/zinc/23/44/24/1397234424.db2.gz WHDYVBDKTNVWJC-UHFFFAOYSA-N 0 0 332.335 2.588 10 5 EFBERN COc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc2ccccc21 ZINC001472035479 1397236820 /nfs/dbraw/zinc/23/68/20/1397236820.db2.gz IJQNCVSMNIMXCX-UHFFFAOYSA-N 0 0 326.312 2.742 10 5 EFBERN CCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)C(=O)OC ZINC001472071861 1397243674 /nfs/dbraw/zinc/24/36/74/1397243674.db2.gz DRQDYQYAQAYIRC-SNVBAGLBSA-N 0 0 342.779 2.591 10 5 EFBERN Cn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1C(F)(F)F ZINC001472087998 1397245897 /nfs/dbraw/zinc/24/58/97/1397245897.db2.gz KCQARBDBCNSITJ-UHFFFAOYSA-N 0 0 332.213 2.739 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cc(C)n2)[nH]n1 ZINC001472104689 1397249317 /nfs/dbraw/zinc/24/93/17/1397249317.db2.gz VZRGKSXFMVLVMU-HNNXBMFYSA-N 0 0 329.360 2.697 10 5 EFBERN Cc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)cc([N+](=O)[O-])c1 ZINC001472109129 1397249688 /nfs/dbraw/zinc/24/96/88/1397249688.db2.gz HSGFWFDWQQDHBB-SSDOTTSWSA-N 0 0 343.265 2.531 10 5 EFBERN Cc1cc(NC(=O)c2ccnc(N3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC001472375353 1397257676 /nfs/dbraw/zinc/25/76/76/1397257676.db2.gz ZJLCOUZCWXTVEP-UHFFFAOYSA-N 0 0 327.344 2.546 10 5 EFBERN COc1cc(C(=O)N2CCc3cc(O)ccc3C2)ccc1[N+](=O)[O-] ZINC001472418908 1397259172 /nfs/dbraw/zinc/25/91/72/1397259172.db2.gz NOCWZJUBTBACHV-UHFFFAOYSA-N 0 0 328.324 2.508 10 5 EFBERN O=[N+]([O-])c1cnn(-c2ncnc3cc(Br)sc32)c1 ZINC001472651324 1397265832 /nfs/dbraw/zinc/26/58/32/1397265832.db2.gz LDHHUQWGHOJBRJ-UHFFFAOYSA-N 0 0 326.135 2.548 10 5 EFBERN CC(C)[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)N1CCOCC1 ZINC001472649603 1397265872 /nfs/dbraw/zinc/26/58/72/1397265872.db2.gz OOXIIRHYQRNBAE-KRWDZBQOSA-N 0 0 348.447 2.637 10 5 EFBERN CC(C)(C)N1C[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1=O ZINC001472719221 1397267014 /nfs/dbraw/zinc/26/70/14/1397267014.db2.gz APZRXHQSNFPCRR-LLVKDONJSA-N 0 0 346.362 2.515 10 5 EFBERN C[C@](O)(CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001472711590 1397267384 /nfs/dbraw/zinc/26/73/84/1397267384.db2.gz PMOFGRHNFGFJEH-INIZCTEOSA-N 0 0 331.303 2.617 10 5 EFBERN CC[C@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1noc(C)n1 ZINC001472718682 1397267456 /nfs/dbraw/zinc/26/74/56/1397267456.db2.gz JBYFBZNTILRNCX-NSHDSACASA-N 0 0 343.343 2.701 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CCOCC2CC2)cc1C ZINC001472722012 1397268387 /nfs/dbraw/zinc/26/83/87/1397268387.db2.gz GGBPIOLVAPDQLE-UHFFFAOYSA-N 0 0 336.388 2.943 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@H]1CCCC12CCOCC2 ZINC001472971960 1397275855 /nfs/dbraw/zinc/27/58/55/1397275855.db2.gz YSHBLMHXGTWMOV-CYBMUJFWSA-N 0 0 343.383 2.902 10 5 EFBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1nc2ccccc2o1 ZINC001473029295 1397278284 /nfs/dbraw/zinc/27/82/84/1397278284.db2.gz JJBBRHDTPZAGGN-UHFFFAOYSA-N 0 0 328.309 2.556 10 5 EFBERN COc1ccc(C)cc1C(=O)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001473026120 1397278405 /nfs/dbraw/zinc/27/84/05/1397278405.db2.gz DUCOKCWPGFJADP-UHFFFAOYSA-N 0 0 342.307 2.703 10 5 EFBERN COc1cccc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)c1C ZINC001473095930 1397282151 /nfs/dbraw/zinc/28/21/51/1397282151.db2.gz YNUGGVUOLHHBCP-UHFFFAOYSA-N 0 0 325.328 2.614 10 5 EFBERN COCCN(CCCOc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC001473165265 1397286710 /nfs/dbraw/zinc/28/67/10/1397286710.db2.gz LGJFQDBAQPJRDY-UHFFFAOYSA-N 0 0 336.310 2.874 10 5 EFBERN COC(=O)CN(CCC(F)(F)F)Cc1c(F)cccc1[N+](=O)[O-] ZINC001473218493 1397289864 /nfs/dbraw/zinc/28/98/64/1397289864.db2.gz KEKITEQELLSPCW-UHFFFAOYSA-N 0 0 338.257 2.661 10 5 EFBERN C[C@](CO)(NCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001473713652 1397324024 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C=C/C=C\CCNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001477493913 1397536201 /nfs/dbraw/zinc/53/62/01/1397536201.db2.gz CMIZIVDVOSISJU-WAYWQWQTSA-N 0 0 349.387 2.586 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC001478237141 1397568388 /nfs/dbraw/zinc/56/83/88/1397568388.db2.gz DFYZCONZXDHXCO-KFWWJZLASA-N 0 0 333.388 2.649 10 5 EFBERN CN(CCNC(=O)CCCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC001478261741 1397570306 /nfs/dbraw/zinc/57/03/06/1397570306.db2.gz JRDLKNYGHSSYSI-UHFFFAOYSA-N 0 0 342.399 2.565 10 5 EFBERN COc1cccc(C(=O)NCCN(C)c2ccccc2[N+](=O)[O-])c1F ZINC001478263271 1397571304 /nfs/dbraw/zinc/57/13/04/1397571304.db2.gz VFDCNQLLRSBUOW-UHFFFAOYSA-N 0 0 347.346 2.609 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H]1C1CCCC1 ZINC001478535991 1397583169 /nfs/dbraw/zinc/58/31/69/1397583169.db2.gz QKJYCDJCHLEEEV-HNNXBMFYSA-N 0 0 343.387 2.945 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC1(C2CC2)CCC1 ZINC001478536278 1397583387 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2.836 10 5 EFBERN CCCN(CCNC(=O)C1=COCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001493282075 1398584514 /nfs/dbraw/zinc/58/45/14/1398584514.db2.gz VDOQUURBPSCRLG-UHFFFAOYSA-N 0 0 347.415 2.617 10 5 EFBERN CCc1occc1C(=O)NC/C=C\CNCc1csc([N+](=O)[O-])c1 ZINC001497567150 1401462402 /nfs/dbraw/zinc/46/24/02/1401462402.db2.gz ASFRZCAGOOLDHB-ARJAWSKDSA-N 0 0 349.412 2.888 10 5 EFBERN O=C(NC/C=C\CNCc1csc([N+](=O)[O-])c1)C1C=CC=CC=C1 ZINC001497589894 1401477285 /nfs/dbraw/zinc/47/72/85/1401477285.db2.gz CVYMEBOXYWPPAO-WAYWQWQTSA-N 0 0 345.424 2.717 10 5 EFBERN CC1(CCC(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001499409439 1402601157 /nfs/dbraw/zinc/60/11/57/1402601157.db2.gz XPWIXKWLGIFEMM-UHFFFAOYSA-N 0 0 331.416 2.914 10 5 EFBERN CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCCOC ZINC001500884431 1403359368 /nfs/dbraw/zinc/35/93/68/1403359368.db2.gz IOCAELPXCPTCAD-UHFFFAOYSA-N 0 0 333.392 2.736 10 5 EFBERN CO[C@@H](C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001503928195 1404514159 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332.345 2.698 10 5 EFBERN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001556200501 1415058705 /nfs/dbraw/zinc/05/87/05/1415058705.db2.gz VESIDDYAIIFFOA-UHFFFAOYSA-N 0 0 338.726 2.637 10 5 EFBERN COc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c2ncccc12 ZINC001556242742 1415060134 /nfs/dbraw/zinc/06/01/34/1415060134.db2.gz SWTFKWBSKBETJD-UHFFFAOYSA-N 0 0 347.718 2.780 10 5 EFBERN COC(=O)c1ccccc1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001556313903 1415063334 /nfs/dbraw/zinc/06/33/34/1415063334.db2.gz OIZOXWVYQBNHGM-UHFFFAOYSA-N 0 0 346.314 2.759 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC001556315740 1415064118 /nfs/dbraw/zinc/06/41/18/1415064118.db2.gz DAQSMAIHVSRFCO-UHFFFAOYSA-N 0 0 344.302 2.887 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)Cc1ccccc1 ZINC001556341424 1415064841 /nfs/dbraw/zinc/06/48/41/1415064841.db2.gz HLWBHPZXFXALCY-AWEZNQCLSA-N 0 0 346.358 2.766 10 5 EFBERN O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001556345981 1415065422 /nfs/dbraw/zinc/06/54/22/1415065422.db2.gz FNXHTWADYRWXNV-ZBFHGGJFSA-N 0 0 349.350 2.666 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC=C(c2cccnc2)C1 ZINC001556505122 1415073258 /nfs/dbraw/zinc/07/32/58/1415073258.db2.gz WCNDZORASVLZEW-UHFFFAOYSA-N 0 0 339.351 2.928 10 5 EFBERN CC1(C)CC[C@@H]1NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001556520703 1415073866 /nfs/dbraw/zinc/07/38/66/1415073866.db2.gz DLTCEVLCVSSEBU-JTQLQIEISA-N 0 0 342.193 2.858 10 5 EFBERN O=C(NCc1cnn2ccccc12)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001556545889 1415075636 /nfs/dbraw/zinc/07/56/36/1415075636.db2.gz RXWKWXXPMTXDOW-UHFFFAOYSA-N 0 0 348.721 2.965 10 5 EFBERN O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001556652200 1415080590 /nfs/dbraw/zinc/08/05/90/1415080590.db2.gz ACFGVYFYLHLRBE-BBRMVZONSA-N 0 0 345.330 2.779 10 5 EFBERN CCc1nc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)co1 ZINC001556642626 1415080633 /nfs/dbraw/zinc/08/06/33/1415080633.db2.gz RZOLBBKEQRWWDT-UHFFFAOYSA-N 0 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ZINC001556860919 1415092786 /nfs/dbraw/zinc/09/27/86/1415092786.db2.gz DUKNKXUXGVSSDQ-LLVKDONJSA-N 0 0 346.774 2.855 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001556924070 1415095377 /nfs/dbraw/zinc/09/53/77/1415095377.db2.gz NUBKIUFDBLVAHS-SNVBAGLBSA-N 0 0 344.371 2.775 10 5 EFBERN COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001556950427 1415097497 /nfs/dbraw/zinc/09/74/97/1415097497.db2.gz PSUJKSKICFHGHD-UHFFFAOYSA-N 0 0 345.355 2.623 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC001556984864 1415100336 /nfs/dbraw/zinc/10/03/36/1415100336.db2.gz DIACOYNSAVHYMU-XMMPIXPASA-N 0 0 349.368 2.891 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCc2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC001557017166 1415101627 /nfs/dbraw/zinc/10/16/27/1415101627.db2.gz OGWGCVXXVHXIGQ-UHFFFAOYSA-N 0 0 341.154 2.809 10 5 EFBERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001557051622 1415103118 /nfs/dbraw/zinc/10/31/18/1415103118.db2.gz MKKQOPPNRKDQME-CVEARBPZSA-N 0 0 330.315 2.776 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(COCCO)cc2)c1 ZINC001557117712 1415106159 /nfs/dbraw/zinc/10/61/59/1415106159.db2.gz TXCACOHRMHUMRN-UHFFFAOYSA-N 0 0 330.340 2.664 10 5 EFBERN O=C(Nc1cc(Cl)ccc1OC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001557116214 1415106466 /nfs/dbraw/zinc/10/64/66/1415106466.db2.gz YTMBYMRQROLWBS-UHFFFAOYSA-N 0 0 332.650 2.825 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001557126354 1415106751 /nfs/dbraw/zinc/10/67/51/1415106751.db2.gz CWVDDGHRSRCQDF-NVXWUHKLSA-N 0 0 330.315 2.971 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001557128995 1415107163 /nfs/dbraw/zinc/10/71/63/1415107163.db2.gz REGZPICSYVFDLB-NVXWUHKLSA-N 0 0 330.315 2.727 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2ncsc2C1 ZINC001557142048 1415107547 /nfs/dbraw/zinc/10/75/47/1415107547.db2.gz DMAFZAXPZZEQLF-VIFPVBQESA-N 0 0 335.360 2.786 10 5 EFBERN CCc1csc([C@@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC001557139976 1415107823 /nfs/dbraw/zinc/10/78/23/1415107823.db2.gz XUMLJYFNXHZIIT-MRVPVSSYSA-N 0 0 349.368 2.833 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](CCO)c2ccccc2F)cc1[N+](=O)[O-] ZINC001557175135 1415110056 /nfs/dbraw/zinc/11/00/56/1415110056.db2.gz XRTIFRRINFXKIM-HNNXBMFYSA-N 0 0 332.331 2.896 10 5 EFBERN COc1ccsc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001557207988 1415112443 /nfs/dbraw/zinc/11/24/43/1415112443.db2.gz HKGGEIUBHJSXDD-UHFFFAOYSA-N 0 0 328.296 2.873 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)c(O)c1 ZINC001557208568 1415112686 /nfs/dbraw/zinc/11/26/86/1415112686.db2.gz RFYGWPJRKWUPOY-UHFFFAOYSA-N 0 0 326.230 2.648 10 5 EFBERN O=C(N[C@H](Cc1ccccc1)c1ncon1)c1ccc([N+](=O)[O-])s1 ZINC001557269954 1415116452 /nfs/dbraw/zinc/11/64/52/1415116452.db2.gz LRXCHFCYGJUIAZ-LLVKDONJSA-N 0 0 344.352 2.753 10 5 EFBERN C[C@](CO)(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC001557284717 1415117143 /nfs/dbraw/zinc/11/71/43/1415117143.db2.gz ZVKROOQPUVFLQE-GOSISDBHSA-N 0 0 339.351 2.714 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001557277875 1415117593 /nfs/dbraw/zinc/11/75/93/1415117593.db2.gz FGVVJHJHQDISEV-MRXNPFEDSA-N 0 0 338.367 2.939 10 5 EFBERN CN(Cc1ccns1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001557436007 1415125570 /nfs/dbraw/zinc/12/55/70/1415125570.db2.gz QLMSRLLITRHVIU-UHFFFAOYSA-N 0 0 343.368 2.714 10 5 EFBERN C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001557485662 1415127854 /nfs/dbraw/zinc/12/78/54/1415127854.db2.gz IFXVAIMCCCZDRJ-MGPLVRAMSA-N 0 0 335.335 2.560 10 5 EFBERN C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001557485661 1415127861 /nfs/dbraw/zinc/12/78/61/1415127861.db2.gz IFXVAIMCCCZDRJ-HWPZZCPQSA-N 0 0 335.335 2.560 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1NC(=O)C[C@@]12CCCC[C@H]2C ZINC001557487386 1415127947 /nfs/dbraw/zinc/12/79/47/1415127947.db2.gz MKVXODFVSYCOIS-PIGZYNQJSA-N 0 0 349.362 2.868 10 5 EFBERN Nc1ccc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001557505626 1415128518 /nfs/dbraw/zinc/12/85/18/1415128518.db2.gz OQFSWPQCLDXDKI-MRXNPFEDSA-N 0 0 345.330 2.530 10 5 EFBERN O=C(NCCc1ccoc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001557510588 1415129187 /nfs/dbraw/zinc/12/91/87/1415129187.db2.gz NYHLVJSSKCJALM-UHFFFAOYSA-N 0 0 326.312 2.550 10 5 EFBERN CC1(C)CCC[C@@](CO)(NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001557538340 1415130553 /nfs/dbraw/zinc/13/05/53/1415130553.db2.gz JNLHNXKONDJTIR-GOSISDBHSA-N 0 0 349.431 2.844 10 5 EFBERN Cn1cc(-c2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)nn1 ZINC001557581380 1415132752 /nfs/dbraw/zinc/13/27/52/1415132752.db2.gz WUBPUFFHBCBHHH-UHFFFAOYSA-N 0 0 341.302 2.782 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc2ccc(Cl)cn21 ZINC001557595942 1415133240 /nfs/dbraw/zinc/13/32/40/1415133240.db2.gz WCZBOLDCBKWQQD-UHFFFAOYSA-N 0 0 345.746 2.529 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC001557607249 1415133417 /nfs/dbraw/zinc/13/34/17/1415133417.db2.gz AYGIRJJBBXLZIM-NUEKZKHPSA-N 0 0 343.770 2.899 10 5 EFBERN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)OC)c1 ZINC001557632480 1415135285 /nfs/dbraw/zinc/13/52/85/1415135285.db2.gz QCUINAJNIMKWPV-INIZCTEOSA-N 0 0 348.330 2.860 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2nc(F)ccc21 ZINC001557696982 1415138415 /nfs/dbraw/zinc/13/84/15/1415138415.db2.gz LRLHWLCWCFJHFM-UHFFFAOYSA-N 0 0 326.287 2.813 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C(F)F)CC1 ZINC001557887042 1415149589 /nfs/dbraw/zinc/14/95/89/1415149589.db2.gz YTBKVGVQRGUPMQ-LBPRGKRZSA-N 0 0 332.278 2.539 10 5 EFBERN CNc1c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001557986572 1415153781 /nfs/dbraw/zinc/15/37/81/1415153781.db2.gz GWLDIOWPPGAVHO-UHFFFAOYSA-N 0 0 344.327 2.783 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001557986584 1415154010 /nfs/dbraw/zinc/15/40/10/1415154010.db2.gz HOUHLZFHLLQRPD-UHFFFAOYSA-N 0 0 333.275 2.881 10 5 EFBERN CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)C(F)(F)F ZINC001557997610 1415154313 /nfs/dbraw/zinc/15/43/13/1415154313.db2.gz XISFPJCYWHBBKK-UHFFFAOYSA-N 0 0 334.298 2.671 10 5 EFBERN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001558067168 1415157716 /nfs/dbraw/zinc/15/77/16/1415157716.db2.gz AZZFPOFXYGBLLF-QLJPJBMISA-N 0 0 341.323 2.647 10 5 EFBERN Nc1c(C(=O)NC2CC(Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001558233197 1415167702 /nfs/dbraw/zinc/16/77/02/1415167702.db2.gz SQQZVYQSAVRBTL-UHFFFAOYSA-N 0 0 326.356 2.550 10 5 EFBERN C[C@@H](NC(=O)c1cc2c(cc1O)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC001558303452 1415171450 /nfs/dbraw/zinc/17/14/50/1415171450.db2.gz QJFCWPYBYORGJI-SECBINFHSA-N 0 0 330.296 2.520 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCCS1 ZINC001558314516 1415171845 /nfs/dbraw/zinc/17/18/45/1415171845.db2.gz GFBJMMAVEVVDCT-CQSZACIVSA-N 0 0 348.428 2.806 10 5 EFBERN O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001558326524 1415172716 /nfs/dbraw/zinc/17/27/16/1415172716.db2.gz CVTHTSLAGFMVFH-DZGCQCFKSA-N 0 0 334.278 2.936 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC001558327555 1415173770 /nfs/dbraw/zinc/17/37/70/1415173770.db2.gz YBKHALLCHYZABF-ABAIWWIYSA-N 0 0 349.293 2.518 10 5 EFBERN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c(Br)c1 ZINC001558336314 1415174116 /nfs/dbraw/zinc/17/41/16/1415174116.db2.gz VUQHHPNLMPJSES-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN COc1cc(C2(C(=O)Nc3cc([N+](=O)[O-])n[nH]3)CCC2)ccc1C ZINC001558335742 1415174239 /nfs/dbraw/zinc/17/42/39/1415174239.db2.gz LOJSADDXNWMHOO-UHFFFAOYSA-N 0 0 330.344 2.695 10 5 EFBERN O=C(NCc1cscc1Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558393694 1415178212 /nfs/dbraw/zinc/17/82/12/1415178212.db2.gz WTZUACRTYLTPPD-LBPRGKRZSA-N 0 0 326.761 2.660 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ncon3)C2)c1C ZINC001558448819 1415179928 /nfs/dbraw/zinc/17/99/28/1415179928.db2.gz AFTCJCHNDBNJOF-GFCCVEGCSA-N 0 0 330.344 2.614 10 5 EFBERN CCc1ccc(C(=O)N2CCC(Cc3ncon3)CC2)cc1[N+](=O)[O-] ZINC001558451510 1415180728 /nfs/dbraw/zinc/18/07/28/1415180728.db2.gz CIPAIRVGUMSRRK-UHFFFAOYSA-N 0 0 344.371 2.635 10 5 EFBERN O=C(N[C@H](c1ncon1)C1CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001558463499 1415181235 /nfs/dbraw/zinc/18/12/35/1415181235.db2.gz PINUIORDWUKJAC-NSHDSACASA-N 0 0 340.698 2.651 10 5 EFBERN O=C(N[C@@H](c1ncon1)C1CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001558463496 1415181352 /nfs/dbraw/zinc/18/13/52/1415181352.db2.gz PINUIORDWUKJAC-LLVKDONJSA-N 0 0 340.698 2.651 10 5 EFBERN O=C(NCc1cccc2c1OCC2)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001558505032 1415183640 /nfs/dbraw/zinc/18/36/40/1415183640.db2.gz MKKLWPJFASTCKS-UHFFFAOYSA-N 0 0 337.335 2.941 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)c1[N+](=O)[O-] ZINC001558549566 1415187447 /nfs/dbraw/zinc/18/74/47/1415187447.db2.gz NGNBUCRVXUVDAL-CZMCAQCFSA-N 0 0 336.298 2.581 10 5 EFBERN COc1cc(Cl)c(F)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001558547441 1415187735 /nfs/dbraw/zinc/18/77/35/1415187735.db2.gz VYMYZIIQLMHQKY-UHFFFAOYSA-N 0 0 340.698 2.625 10 5 EFBERN O=CNc1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001558558798 1415189044 /nfs/dbraw/zinc/18/90/44/1415189044.db2.gz ZMIKMGFTNIDUCR-UHFFFAOYSA-N 0 0 342.355 2.994 10 5 EFBERN Cc1cc([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001558569560 1415190521 /nfs/dbraw/zinc/19/05/21/1415190521.db2.gz JALDWWGPYMXFAI-MRXNPFEDSA-N 0 0 328.372 2.923 10 5 EFBERN C[C@]1(Cc2cccs2)CCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001558626555 1415192727 /nfs/dbraw/zinc/19/27/27/1415192727.db2.gz YEGOVHYIPARMRA-MRXNPFEDSA-N 0 0 346.412 2.871 10 5 EFBERN CCC[C@@H](O)CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001558630349 1415193184 /nfs/dbraw/zinc/19/31/84/1415193184.db2.gz FATOIBOWMUDIKD-GFCCVEGCSA-N 0 0 331.372 2.611 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OC(C)(C)C[C@H]2O ZINC001558636010 1415193208 /nfs/dbraw/zinc/19/32/08/1415193208.db2.gz UCWWWFLNEUUWCI-CQSZACIVSA-N 0 0 345.355 2.780 10 5 EFBERN O=C(Nc1ccccc1Oc1ccccn1)c1n[nH]cc1[N+](=O)[O-] ZINC001558635931 1415193251 /nfs/dbraw/zinc/19/32/51/1415193251.db2.gz KYOTUOZFIOTTEU-UHFFFAOYSA-N 0 0 325.284 2.758 10 5 EFBERN COc1ccc(OCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001558675545 1415193855 /nfs/dbraw/zinc/19/38/55/1415193855.db2.gz BXGALHOZFNLDPW-UHFFFAOYSA-N 0 0 345.355 2.902 10 5 EFBERN Cc1ccc(NC(=O)c2c3ccccc3nn2C)c(N)c1[N+](=O)[O-] ZINC001558676697 1415194654 /nfs/dbraw/zinc/19/46/54/1415194654.db2.gz MGHOKWCESGSWGK-UHFFFAOYSA-N 0 0 325.328 2.624 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCOc1cccc(F)c1 ZINC001558718057 1415197109 /nfs/dbraw/zinc/19/71/09/1415197109.db2.gz YYQHAUJHFJJEFM-UHFFFAOYSA-N 0 0 333.319 2.515 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](O)c2cccnc2)c1 ZINC001558729149 1415197737 /nfs/dbraw/zinc/19/77/37/1415197737.db2.gz FPGJDBBKWMRQAH-OAHLLOKOSA-N 0 0 347.396 2.517 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001558735649 1415198075 /nfs/dbraw/zinc/19/80/75/1415198075.db2.gz SMYBNRLDSDZQLZ-LBPRGKRZSA-N 0 0 331.759 2.728 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NOCCOc1ccccc1 ZINC001558777400 1415201214 /nfs/dbraw/zinc/20/12/14/1415201214.db2.gz BXLJJQJMXDLTMZ-UHFFFAOYSA-N 0 0 330.340 2.952 10 5 EFBERN COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1C ZINC001558807869 1415203568 /nfs/dbraw/zinc/20/35/68/1415203568.db2.gz VGGSBYREEOVWFJ-UHFFFAOYSA-N 0 0 331.328 2.887 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnc2[nH]cnc2c1 ZINC001559004332 1415217264 /nfs/dbraw/zinc/21/72/64/1415217264.db2.gz IZRJDRPFHDTJTM-UHFFFAOYSA-N 0 0 334.295 2.667 10 5 EFBERN C[S@@](=O)Cc1cccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001559106757 1415224190 /nfs/dbraw/zinc/22/41/90/1415224190.db2.gz JZOCZMWQBICGPB-HSZRJFAPSA-N 0 0 338.360 2.848 10 5 EFBERN COC(=O)N(C)Cc1ccc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC001559104066 1415224312 /nfs/dbraw/zinc/22/43/12/1415224312.db2.gz XFVKDHAJJFFOPO-UHFFFAOYSA-N 0 0 332.316 2.637 10 5 EFBERN COc1cc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O ZINC001559109909 1415224454 /nfs/dbraw/zinc/22/44/54/1415224454.db2.gz IZIJJFSYFCUMMU-UHFFFAOYSA-N 0 0 328.328 2.840 10 5 EFBERN COC(=O)Cc1ccc(Nc2ccc3c(c2)ncn3C)c([N+](=O)[O-])c1 ZINC001559119814 1415224790 /nfs/dbraw/zinc/22/47/90/1415224790.db2.gz VRDDQUHAGFKUSO-UHFFFAOYSA-N 0 0 340.339 2.941 10 5 EFBERN CC(C)N1C(=O)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1(C)C ZINC001559121435 1415225222 /nfs/dbraw/zinc/22/52/22/1415225222.db2.gz PZJFIKCRBDYAJB-UHFFFAOYSA-N 0 0 346.431 2.704 10 5 EFBERN O=C1OCCN1c1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001559148842 1415226440 /nfs/dbraw/zinc/22/64/40/1415226440.db2.gz UFWIYEZUDOQAJU-UHFFFAOYSA-N 0 0 348.746 2.634 10 5 EFBERN C[C@@H]1c2c(F)cccc2CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559161983 1415227351 /nfs/dbraw/zinc/22/73/51/1415227351.db2.gz SHKKCJDHUDMOIM-SNVBAGLBSA-N 0 0 329.331 2.957 10 5 EFBERN CCc1ccc(N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)cc1Cl ZINC001559188928 1415228748 /nfs/dbraw/zinc/22/87/48/1415228748.db2.gz RQKOHEXCNXLUOI-UHFFFAOYSA-N 0 0 349.822 2.871 10 5 EFBERN CC[C@@H]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001559201102 1415229501 /nfs/dbraw/zinc/22/95/01/1415229501.db2.gz JRZZTXMRZXCONQ-NEPJUHHUSA-N 0 0 341.433 2.871 10 5 EFBERN COC(=O)c1ccnc(SCc2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC001559208847 1415229970 /nfs/dbraw/zinc/22/99/70/1415229970.db2.gz YYLZGYGNKGPEQY-UHFFFAOYSA-N 0 0 344.352 2.945 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NC2CN(C(=O)OCc3ccccc3)C2)n1 ZINC001559210651 1415230056 /nfs/dbraw/zinc/23/00/56/1415230056.db2.gz ZYSUEGNQHIVQIX-UHFFFAOYSA-N 0 0 342.355 2.731 10 5 EFBERN O=c1cc([C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)[nH][nH]1 ZINC001559227503 1415231619 /nfs/dbraw/zinc/23/16/19/1415231619.db2.gz RWOHQSJRXFTJLF-LLVKDONJSA-N 0 0 325.328 2.566 10 5 EFBERN C[C@H](O)[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1F ZINC001559227743 1415231773 /nfs/dbraw/zinc/23/17/73/1415231773.db2.gz BSDYTXUINIYKFX-IINYFYTJSA-N 0 0 330.319 2.916 10 5 EFBERN CN1c2ccccc2C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1=O ZINC001559235177 1415232586 /nfs/dbraw/zinc/23/25/86/1415232586.db2.gz WJPWYTOXRXJSRL-NSHDSACASA-N 0 0 332.747 2.643 10 5 EFBERN Nc1nc(Cl)cc(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001559246553 1415233286 /nfs/dbraw/zinc/23/32/86/1415233286.db2.gz VCBZLXYCQVDDFX-UHFFFAOYSA-N 0 0 326.765 2.792 10 5 EFBERN NC(=O)c1cc2cc(Nc3ncc(Cl)cc3[N+](=O)[O-])ccc2[nH]1 ZINC001559253400 1415233871 /nfs/dbraw/zinc/23/38/71/1415233871.db2.gz XBRVNDPIGXXWRR-UHFFFAOYSA-N 0 0 331.719 2.967 10 5 EFBERN O=c1[nH]c2cc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2o1 ZINC001559274003 1415235525 /nfs/dbraw/zinc/23/55/25/1415235525.db2.gz LJXOHCSDRYSRSW-UHFFFAOYSA-N 0 0 325.284 2.930 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001559275283 1415235608 /nfs/dbraw/zinc/23/56/08/1415235608.db2.gz YVJKHYPGDBHLTE-LLVKDONJSA-N 0 0 347.375 2.892 10 5 EFBERN CCN(C(=O)CNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccccc1 ZINC001559280456 1415236298 /nfs/dbraw/zinc/23/62/98/1415236298.db2.gz GZITUZIUVZKRMG-UHFFFAOYSA-N 0 0 347.346 2.691 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H](O)Cc1ccccc1F ZINC001559281399 1415236701 /nfs/dbraw/zinc/23/67/01/1415236701.db2.gz SFYSUURBOVDPPF-CYBMUJFWSA-N 0 0 341.342 2.720 10 5 EFBERN NS(=O)(=O)c1cccc(Nc2ccc(C(F)F)cc2)c1[N+](=O)[O-] ZINC001559292388 1415237050 /nfs/dbraw/zinc/23/70/50/1415237050.db2.gz ORTQSXSWUSULEU-UHFFFAOYSA-N 0 0 343.311 2.923 10 5 EFBERN Cc1ccc(NC2CCN(c3nc(C)cc(=O)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC001559290095 1415237241 /nfs/dbraw/zinc/23/72/41/1415237241.db2.gz SHAZPEGPNAZQHY-UHFFFAOYSA-N 0 0 343.387 2.788 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1NCCCONC(=O)OC(C)(C)C ZINC001559291239 1415237372 /nfs/dbraw/zinc/23/73/72/1415237372.db2.gz UHNVOJLMZITIMG-UHFFFAOYSA-N 0 0 326.353 2.557 10 5 EFBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])c(OC(C)C)n3)[C@@H]2C1 ZINC001559292277 1415237444 /nfs/dbraw/zinc/23/74/44/1415237444.db2.gz KPNCDKZZYXVHGD-XQHKEYJVSA-N 0 0 349.387 2.777 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2ncccc2C)c1[N+](=O)[O-] ZINC001559300941 1415238213 /nfs/dbraw/zinc/23/82/13/1415238213.db2.gz IEUXCCPLTCZKNK-NSHDSACASA-N 0 0 330.344 2.961 10 5 EFBERN CN1C(=O)Cc2cc(CNc3ncnc4ccc([N+](=O)[O-])cc43)ccc21 ZINC001559301746 1415238237 /nfs/dbraw/zinc/23/82/37/1415238237.db2.gz KOAPFWXNHGUCTA-UHFFFAOYSA-N 0 0 349.350 2.669 10 5 EFBERN COCCCN1C(=O)N=NC1SCc1ccc(C)c([N+](=O)[O-])c1 ZINC001559352556 1415240540 /nfs/dbraw/zinc/24/05/40/1415240540.db2.gz SEOLHWMLGRPMRE-UHFFFAOYSA-N 0 0 338.389 2.529 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc(Cl)ccn1 ZINC001559365503 1415241121 /nfs/dbraw/zinc/24/11/21/1415241121.db2.gz MRHHLLFWAWARMG-UHFFFAOYSA-N 0 0 342.742 2.915 10 5 EFBERN Cc1nn(CC(=O)N[C@H](C)c2cccs2)c2ncc([N+](=O)[O-])cc12 ZINC001559377579 1415241699 /nfs/dbraw/zinc/24/16/99/1415241699.db2.gz HKMAUDXDHXQBJS-SNVBAGLBSA-N 0 0 345.384 2.587 10 5 EFBERN Cn1c2ccccc2n2c(SCc3cccnc3[N+](=O)[O-])nnc12 ZINC001559379340 1415241706 /nfs/dbraw/zinc/24/17/06/1415241706.db2.gz NWUYHNPATAHLIR-UHFFFAOYSA-N 0 0 340.368 2.817 10 5 EFBERN Cc1nn(CCC(=O)Nc2ccccc2F)c2ncc([N+](=O)[O-])cc12 ZINC001559377750 1415242019 /nfs/dbraw/zinc/24/20/19/1415242019.db2.gz JMVUICBRYXNMRO-UHFFFAOYSA-N 0 0 343.318 2.816 10 5 EFBERN CC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC001559391452 1415242547 /nfs/dbraw/zinc/24/25/47/1415242547.db2.gz DCEHCNBYKAXQAF-UHFFFAOYSA-N 0 0 349.730 2.863 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1Cl)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001559417697 1415244250 /nfs/dbraw/zinc/24/42/50/1415244250.db2.gz CVZZUFVYCFMFFG-SSDOTTSWSA-N 0 0 339.695 2.553 10 5 EFBERN CC1(C)C(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)C1(C)C ZINC001559430341 1415245125 /nfs/dbraw/zinc/24/51/25/1415245125.db2.gz HWXUZBVHKHRQSI-UHFFFAOYSA-N 0 0 332.400 2.887 10 5 EFBERN CO[C@H](Cc1ccccc1)Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001559474542 1415248719 /nfs/dbraw/zinc/24/87/19/1415248719.db2.gz NUHDOCHGRPKRLT-CQSZACIVSA-N 0 0 339.355 2.506 10 5 EFBERN CN(Cc1cnccn1)Cc1cc([N+](=O)[O-])ccc1Br ZINC001559585205 1415251504 /nfs/dbraw/zinc/25/15/04/1415251504.db2.gz LZQLHUBCBQUSNV-UHFFFAOYSA-N 0 0 337.177 2.779 10 5 EFBERN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001559729448 1415253579 /nfs/dbraw/zinc/25/35/79/1415253579.db2.gz YELOARMFEJFCBO-BBRMVZONSA-N 0 0 331.416 2.994 10 5 EFBERN O=[N+]([O-])c1ccc(CN(CC[S@@](=O)C(F)(F)F)C2CC2)cc1 ZINC001559712960 1415253727 /nfs/dbraw/zinc/25/37/27/1415253727.db2.gz BOZCLJNYLCKMCL-JOCHJYFZSA-N 0 0 336.335 2.828 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001559708453 1415253762 /nfs/dbraw/zinc/25/37/62/1415253762.db2.gz SYCGJZLJJGHNTE-UHFFFAOYSA-N 0 0 346.774 2.953 10 5 EFBERN CC(C)C1(O)CN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001559805839 1415255693 /nfs/dbraw/zinc/25/56/93/1415255693.db2.gz AFDVMCYHHYTUIQ-UHFFFAOYSA-N 0 0 329.194 2.560 10 5 EFBERN COC(=O)[C@H](Cc1ccccc1)NCc1c(F)cccc1[N+](=O)[O-] ZINC001559947473 1415259216 /nfs/dbraw/zinc/25/92/16/1415259216.db2.gz UBODMCDTCKLHDO-HNNXBMFYSA-N 0 0 332.331 2.608 10 5 EFBERN COC(=O)[C@](C)(NCCOCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC001560049693 1415260803 /nfs/dbraw/zinc/26/08/03/1415260803.db2.gz NVNPBNJHYWDQRM-QGZVFWFLSA-N 0 0 338.404 2.635 10 5 EFBERN COC(=O)[C@@](C)(NCCOCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC001560049692 1415261360 /nfs/dbraw/zinc/26/13/60/1415261360.db2.gz NVNPBNJHYWDQRM-KRWDZBQOSA-N 0 0 338.404 2.635 10 5 EFBERN Cc1noc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001560068431 1415262322 /nfs/dbraw/zinc/26/23/22/1415262322.db2.gz PKHOAMADZMLDDO-LLVKDONJSA-N 0 0 345.277 2.733 10 5 EFBERN CON(Cc1ccc(C)o1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001560159417 1415266569 /nfs/dbraw/zinc/26/65/69/1415266569.db2.gz SIQIZXPUMAPPFF-LBPRGKRZSA-N 0 0 333.344 2.887 10 5 EFBERN CC(=O)c1cccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001564142272 1415372594 /nfs/dbraw/zinc/37/25/94/1415372594.db2.gz ABEUKBAWVUNVBW-UHFFFAOYSA-N 0 0 327.340 2.797 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@]12C[C@H]1CCCC2 ZINC001564424056 1415377008 /nfs/dbraw/zinc/37/70/08/1415377008.db2.gz FMCSHKFFQBTATL-DYVFJYSZSA-N 0 0 333.388 2.983 10 5 EFBERN CCNc1cc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC001565214470 1415391528 /nfs/dbraw/zinc/39/15/28/1415391528.db2.gz VPMGXRFVCYBOAC-UHFFFAOYSA-N 0 0 343.387 2.729 10 5 EFBERN C[C@@H](NC(=O)NCc1ccc2nonc2c1)c1ccccc1[N+](=O)[O-] ZINC001565297740 1415393488 /nfs/dbraw/zinc/39/34/88/1415393488.db2.gz KWXZPZKVMOEEGM-SNVBAGLBSA-N 0 0 341.327 2.691 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001565343087 1415393928 /nfs/dbraw/zinc/39/39/28/1415393928.db2.gz XVUDIPMPWCNWNC-GWCFXTLKSA-N 0 0 345.359 2.546 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001565353960 1415394107 /nfs/dbraw/zinc/39/41/07/1415394107.db2.gz ZVBFNQHORMZWFC-NYUZSIGZSA-N 0 0 329.400 2.955 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001565412113 1415395370 /nfs/dbraw/zinc/39/53/70/1415395370.db2.gz RLFGTAOMECHOGI-GFCCVEGCSA-N 0 0 344.371 2.607 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC(Oc2ccncc2)C1 ZINC001565597896 1415405524 /nfs/dbraw/zinc/40/55/24/1415405524.db2.gz YMORIXWRAABHSK-UHFFFAOYSA-N 0 0 333.731 2.547 10 5 EFBERN O=C(/C=C\C=C(Cl)Cl)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001565627744 1415407530 /nfs/dbraw/zinc/40/75/30/1415407530.db2.gz ZBGKAFZTSQPDLK-IWQZZHSRSA-N 0 0 331.155 2.965 10 5 EFBERN O=C(C[C@@H]1CC(=O)N1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001565716707 1415412628 /nfs/dbraw/zinc/41/26/28/1415412628.db2.gz AKTPITMQUUQUGL-GFCCVEGCSA-N 0 0 341.323 2.604 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CSC(c2ccccc2)=N1 ZINC001565771481 1415414925 /nfs/dbraw/zinc/41/49/25/1415414925.db2.gz NRSZUSYMZAALLH-HNNXBMFYSA-N 0 0 341.392 2.773 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1c(O)cnc2c(F)cccc21 ZINC001565771612 1415414941 /nfs/dbraw/zinc/41/49/41/1415414941.db2.gz QNVUWRTVPVTTHU-UHFFFAOYSA-N 0 0 341.298 2.918 10 5 EFBERN Cc1csc([C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C2CC2)n1 ZINC001566005798 1415480749 /nfs/dbraw/zinc/48/07/49/1415480749.db2.gz IKGFWOTZVLLASX-MRVPVSSYSA-N 0 0 341.780 2.617 10 5 EFBERN CC(C)(CO)CCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001566297085 1415538971 /nfs/dbraw/zinc/53/89/71/1415538971.db2.gz PPIJSHFAVXEYCL-UHFFFAOYSA-N 0 0 328.796 2.706 10 5 EFBERN CC(C)C[C@@H](CCO)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001566306212 1415539233 /nfs/dbraw/zinc/53/92/33/1415539233.db2.gz DERNCLKCXWNMGF-CYBMUJFWSA-N 0 0 342.823 2.952 10 5 EFBERN O=C(N[C@H]1C[C@@H](O)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001566358578 1415542991 /nfs/dbraw/zinc/54/29/91/1415542991.db2.gz HNJNFPRTVVCVTF-XBXGTLAGSA-N 0 0 344.392 2.999 10 5 EFBERN C[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001566372527 1415543364 /nfs/dbraw/zinc/54/33/64/1415543364.db2.gz YDUNHAXSHYZXKM-NSHDSACASA-N 0 0 332.331 2.729 10 5 EFBERN COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1CO ZINC001566372725 1415543707 /nfs/dbraw/zinc/54/37/07/1415543707.db2.gz HKQUIFZELMKNTM-CVEARBPZSA-N 0 0 342.351 2.838 10 5 EFBERN CNc1nccc(C(=O)N[C@@H](C)c2cccc(F)c2F)c1[N+](=O)[O-] ZINC001566545610 1415629236 /nfs/dbraw/zinc/62/92/36/1415629236.db2.gz KYVNGESOWBUFCB-QMMMGPOBSA-N 0 0 336.298 2.801 10 5 EFBERN O=C(NCCCN(Cc1csc([N+](=O)[O-])c1)C1CC1)c1ccc[nH]1 ZINC001566580118 1415663751 /nfs/dbraw/zinc/66/37/51/1415663751.db2.gz BGFPEXPNDKUBSI-UHFFFAOYSA-N 0 0 348.428 2.769 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nn2cc(Br)cn2)c1C ZINC001566693294 1415734792 /nfs/dbraw/zinc/73/47/92/1415734792.db2.gz KXEBMWRKZBITDU-UHFFFAOYSA-N 0 0 339.149 2.555 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)OCc2ccncc2)cc1[N+](=O)[O-] ZINC001566754216 1415762467 /nfs/dbraw/zinc/76/24/67/1415762467.db2.gz KMKPNIOUAHBQRP-LLVKDONJSA-N 0 0 331.328 2.542 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(F)c(F)cc1N)CC2 ZINC001566870704 1415813151 /nfs/dbraw/zinc/81/31/51/1415813151.db2.gz HUMLPDOPTNVNEP-UHFFFAOYSA-N 0 0 333.294 2.967 10 5 EFBERN CC(C)(C)c1nc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)cs1 ZINC001567139709 1415948977 /nfs/dbraw/zinc/94/89/77/1415948977.db2.gz IWXLJTAHDWJPHN-UHFFFAOYSA-N 0 0 348.428 2.904 10 5 EFBERN O=C(Nc1cc(F)ccc1O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001567234370 1416004800 /nfs/dbraw/zinc/00/48/00/1416004800.db2.gz INVBWOJQACWMBA-UHFFFAOYSA-N 0 0 348.286 2.853 10 5 EFBERN Cc1ccccc1COCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001567245886 1416013109 /nfs/dbraw/zinc/01/31/09/1416013109.db2.gz QBWDMDXVDHUPME-UHFFFAOYSA-N 0 0 340.339 2.935 10 5 EFBERN CN(CCNC(=O)c1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001567269908 1416048328 /nfs/dbraw/zinc/04/83/28/1416048328.db2.gz KJBAXKSDCUKPDO-UHFFFAOYSA-N 0 0 331.347 2.596 10 5 EFBERN CC(C)c1ocnc1C(=O)NCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001567311244 1416066818 /nfs/dbraw/zinc/06/68/18/1416066818.db2.gz MHGRGWNJPYGTIP-UHFFFAOYSA-N 0 0 346.387 2.568 10 5 EFBERN CCN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1csc([N+](=O)[O-])c1 ZINC001567342871 1416082746 /nfs/dbraw/zinc/08/27/46/1416082746.db2.gz YCVZTGYIOMHONF-WDNDVIMCSA-N 0 0 337.445 2.641 10 5 EFBERN C[Si](C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001567430751 1416135153 /nfs/dbraw/zinc/13/51/53/1416135153.db2.gz KPYGQLIUCLSKPA-UHFFFAOYSA-N 0 0 332.407 2.619 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1c1cccn1C ZINC001567438248 1416138171 /nfs/dbraw/zinc/13/81/71/1416138171.db2.gz DSOIZWNVLNDXSU-INIZCTEOSA-N 0 0 347.346 2.595 10 5 EFBERN O=C(NN1Cc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1Cl ZINC001567475645 1416153018 /nfs/dbraw/zinc/15/30/18/1416153018.db2.gz QMYKYHPBDNPAPF-UHFFFAOYSA-N 0 0 331.715 2.549 10 5 EFBERN Cc1c(CNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)cccc1[N+](=O)[O-] ZINC001567605892 1416207166 /nfs/dbraw/zinc/20/71/66/1416207166.db2.gz NRIYECQHHCQAHM-JTQLQIEISA-N 0 0 328.372 2.681 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC001567943397 1416337882 /nfs/dbraw/zinc/33/78/82/1416337882.db2.gz YGCBBKDKEADUNW-UHFFFAOYSA-N 0 0 344.302 2.887 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(=O)c(Cl)c[nH]1 ZINC001568027173 1416365578 /nfs/dbraw/zinc/36/55/78/1416365578.db2.gz OGNVOFQPAGHUTM-UHFFFAOYSA-N 0 0 337.719 2.756 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CO)[C@@H]1C ZINC001568203465 1416440307 /nfs/dbraw/zinc/44/03/07/1416440307.db2.gz FKDCKDREDPHXMC-NWDGAFQWSA-N 0 0 338.429 2.940 10 5 EFBERN COC[C@@H](C)Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001568341264 1416483038 /nfs/dbraw/zinc/48/30/38/1416483038.db2.gz JZDFMSJEOSWXLQ-GFCCVEGCSA-N 0 0 344.371 2.997 10 5 EFBERN COC[C@H](C)Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001568341265 1416483074 /nfs/dbraw/zinc/48/30/74/1416483074.db2.gz JZDFMSJEOSWXLQ-LBPRGKRZSA-N 0 0 344.371 2.997 10 5 EFBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](O)c1ccccc1 ZINC001568360418 1416491950 /nfs/dbraw/zinc/49/19/50/1416491950.db2.gz KCPNLFYTRSLPNY-IAGOWNOFSA-N 0 0 343.383 2.665 10 5 EFBERN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001568372501 1416497140 /nfs/dbraw/zinc/49/71/40/1416497140.db2.gz CEZWPXLXHFAHED-PREXVCJDSA-N 0 0 347.415 2.579 10 5 EFBERN O=Cc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)co1 ZINC001568490254 1416543044 /nfs/dbraw/zinc/54/30/44/1416543044.db2.gz JJIFDDVHRGFGTC-UHFFFAOYSA-N 0 0 342.229 2.949 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)c2cccc(F)c2)c1 ZINC001645844526 1416571776 /nfs/dbraw/zinc/57/17/76/1416571776.db2.gz FIRZZJZRRVTIDS-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC(F)(F)OC(F)(F)C1 ZINC001645860923 1416576049 /nfs/dbraw/zinc/57/60/49/1416576049.db2.gz XMMUCGBQPJXJMD-UTCJRWHESA-N 0 0 334.225 2.652 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(F)(F)OC(F)(F)C1 ZINC001645867480 1416577008 /nfs/dbraw/zinc/57/70/08/1416577008.db2.gz WBPVAWAXTKWCGO-UHFFFAOYSA-N 0 0 336.241 2.870 10 5 EFBERN CCc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1O ZINC001645938328 1416588501 /nfs/dbraw/zinc/58/85/01/1416588501.db2.gz QUFGQMMXMQULRU-UHFFFAOYSA-N 0 0 326.312 2.991 10 5 EFBERN CC1(C)CC(NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC001646136509 1416618334 /nfs/dbraw/zinc/61/83/34/1416618334.db2.gz GLWWELKYNDYHLS-UHFFFAOYSA-N 0 0 342.193 2.858 10 5 EFBERN CCOC(=O)[C@](C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001646224945 1416635548 /nfs/dbraw/zinc/63/55/48/1416635548.db2.gz ZNERXDWCRDKTSU-KRWDZBQOSA-N 0 0 336.388 2.940 10 5 EFBERN CC1(c2ccccc2)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001646225837 1416635710 /nfs/dbraw/zinc/63/57/10/1416635710.db2.gz QUWYUOYULVLYAM-UHFFFAOYSA-N 0 0 336.351 2.885 10 5 EFBERN CCOC(=O)[C@@](C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001646224946 1416636005 /nfs/dbraw/zinc/63/60/05/1416636005.db2.gz ZNERXDWCRDKTSU-QGZVFWFLSA-N 0 0 336.388 2.940 10 5 EFBERN Cc1ccc(NCCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC001646261181 1416639534 /nfs/dbraw/zinc/63/95/34/1416639534.db2.gz UJKZRSVGGAQVOS-UHFFFAOYSA-N 0 0 348.790 2.722 10 5 EFBERN Cc1ccc(NC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001646260042 1416639714 /nfs/dbraw/zinc/63/97/14/1416639714.db2.gz VNNTXGUTJNOJQN-XIKOKIGWSA-N 0 0 343.383 2.979 10 5 EFBERN Cc1nn(CC(F)F)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001646263920 1416640095 /nfs/dbraw/zinc/64/00/95/1416640095.db2.gz AYFCHRHYBUROMM-UHFFFAOYSA-N 0 0 339.302 2.508 10 5 EFBERN O=C(N[C@@H]1CO[C@H]1c1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001646310554 1416645790 /nfs/dbraw/zinc/64/57/90/1416645790.db2.gz UMHUNLNVJPIUDX-PBHICJAKSA-N 0 0 337.335 2.946 10 5 EFBERN CC1(C)C[C@@]1(C)CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001683772931 1416684358 /nfs/dbraw/zinc/68/43/58/1416684358.db2.gz LLMSRRDZXGJMJL-SFHVURJKSA-N 0 0 346.431 2.863 10 5 EFBERN Cc1noc([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001684042095 1416691233 /nfs/dbraw/zinc/69/12/33/1416691233.db2.gz ANROSSCVIOIOFI-NXEZZACHSA-N 0 0 333.348 2.750 10 5 EFBERN C[C@@H](CNC(=O)NCCc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC001684397548 1416720835 /nfs/dbraw/zinc/72/08/35/1416720835.db2.gz UZNMNKDMZRXBMS-ZDUSSCGKSA-N 0 0 343.383 2.946 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC001684706164 1416728782 /nfs/dbraw/zinc/72/87/82/1416728782.db2.gz FMKLGDJBSRCZSN-QGZVFWFLSA-N 0 0 337.420 2.890 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001684711720 1416729138 /nfs/dbraw/zinc/72/91/38/1416729138.db2.gz DAYSNZPBKWSJNK-MLGOLLRUSA-N 0 0 331.372 2.722 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001685071818 1416742213 /nfs/dbraw/zinc/74/22/13/1416742213.db2.gz CYTZINQESARDHX-JQWIXIFHSA-N 0 0 329.360 2.815 10 5 EFBERN Cc1cccc(NCCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001685075130 1416742511 /nfs/dbraw/zinc/74/25/11/1416742511.db2.gz LSKLOBNZSVAWHQ-CYBMUJFWSA-N 0 0 343.387 2.771 10 5 EFBERN Cc1ccccc1[C@H](CO)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001685148949 1416751316 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WDBGTZPIDOUARP-BBRMVZONSA-N 0 0 343.383 2.731 10 5 EFBERN Cc1ccc(N(C)CCNC(=O)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC001689822472 1417082377 /nfs/dbraw/zinc/08/23/77/1417082377.db2.gz YDLREKFEVHYNKU-UHFFFAOYSA-N 0 0 349.431 2.662 10 5 EFBERN Cc1ccnc(N(C)CCNC(=O)C(C)(C)C(C)(F)F)c1[N+](=O)[O-] ZINC001690127329 1417160090 /nfs/dbraw/zinc/16/00/90/1417160090.db2.gz NCUGIAKMANMUFZ-UHFFFAOYSA-N 0 0 344.362 2.532 10 5 EFBERN CN(CCNC(=O)c1cnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC001690127262 1417160414 /nfs/dbraw/zinc/16/04/14/1417160414.db2.gz JZKADTRETKMUFH-UHFFFAOYSA-N 0 0 346.412 2.795 10 5 EFBERN CCOCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@H]1C[C@@H]1C ZINC001696412869 1417293970 /nfs/dbraw/zinc/29/39/70/1417293970.db2.gz JEFJFPPEPIVOTC-WFASDCNBSA-N 0 0 345.403 2.907 10 5 EFBERN CCOCCn1c(C2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001696432319 1417294890 /nfs/dbraw/zinc/29/48/90/1417294890.db2.gz KUEMNNLQUZFJAH-UHFFFAOYSA-N 0 0 345.403 2.737 10 5 EFBERN CN(CCN(C)C(=O)c1ccccc1O)Cc1ccccc1[N+](=O)[O-] ZINC001698984643 1417360487 /nfs/dbraw/zinc/36/04/87/1417360487.db2.gz PPODGVNXBUPMNQ-UHFFFAOYSA-N 0 0 343.383 2.504 10 5 EFBERN Cc1cocc1C(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001698994301 1417362185 /nfs/dbraw/zinc/36/21/85/1417362185.db2.gz CVLXXZSFAPCBCN-UHFFFAOYSA-N 0 0 331.372 2.700 10 5 EFBERN O=C(CCC1CCC1)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001713281092 1418451280 /nfs/dbraw/zinc/45/12/80/1418451280.db2.gz PZSDOLSIVFSKAE-HALDLXJZSA-N 0 0 349.456 2.783 10 5 EFBERN CC(C)(C(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC001714973183 1418643478 /nfs/dbraw/zinc/64/34/78/1418643478.db2.gz ZJWFRCXJOMGLHI-UHFFFAOYSA-N 0 0 345.443 2.969 10 5 EFBERN CC(C)CCCC(=O)NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001714972881 1418643709 /nfs/dbraw/zinc/64/37/09/1418643709.db2.gz HXPXPXDTFBIIFT-UHFFFAOYSA-N 0 0 333.432 2.969 10 5 EFBERN CC1(C(=O)NCC2CN(Cc3csc([N+](=O)[O-])c3)C2)CCCC1 ZINC001714972273 1418643809 /nfs/dbraw/zinc/64/38/09/1418643809.db2.gz QVLMKJSWQHGDBY-UHFFFAOYSA-N 0 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EFBERN CCC[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H](O)c1ccccc1 ZINC000804680156 713407694 /nfs/dbraw/zinc/40/76/94/713407694.db2.gz OHYHMRVOUWCUDN-WMZOPIPTSA-N 0 0 345.399 2.984 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC2(CC2)C1 ZINC000804687965 713416717 /nfs/dbraw/zinc/41/67/17/713416717.db2.gz DUSBTBOKJZQGFN-UHFFFAOYSA-N 0 0 332.328 2.581 10 5 EFBERN Cc1ccc(NCC2([S@@](C)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804691216 713420801 /nfs/dbraw/zinc/42/08/01/713420801.db2.gz REJXDZAKUHXDNR-LJQANCHMSA-N 0 0 347.234 2.989 10 5 EFBERN Cc1ccc(NCC2([S@](C)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804691215 713420692 /nfs/dbraw/zinc/42/06/92/713420692.db2.gz REJXDZAKUHXDNR-IBGZPJMESA-N 0 0 347.234 2.989 10 5 EFBERN CO[C@@H]1COCC[C@H]1CC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000838011999 713421456 /nfs/dbraw/zinc/42/14/56/713421456.db2.gz MPGFHMKRDRUDSY-IINYFYTJSA-N 0 0 343.763 2.733 10 5 EFBERN Cc1cc(F)cc2c1CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000804693481 713421649 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722830397 /nfs/dbraw/zinc/83/03/97/722830397.db2.gz IUPPMLXJCAECLW-CXAGYDPISA-N 0 0 345.399 2.810 10 5 EFBERN CCOc1cccc(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1 ZINC000161633306 716096756 /nfs/dbraw/zinc/09/67/56/716096756.db2.gz PXRIZMYPUDLCKO-UHFFFAOYSA-N 0 0 343.383 2.857 10 5 EFBERN COC(=O)[C@]1(C)CCCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000840553849 716099635 /nfs/dbraw/zinc/09/96/35/716099635.db2.gz VAZCVAKXGGVSRY-IYPOZPNPSA-N 0 0 346.383 2.800 10 5 EFBERN Cc1nn(CCC(=O)OC[C@@H](C)[C@@H]2CCCCO2)c(C)c1[N+](=O)[O-] ZINC000893503011 716199318 /nfs/dbraw/zinc/19/93/18/716199318.db2.gz DWNFOCZEZDWWKC-RISCZKNCSA-N 0 0 339.392 2.547 10 5 EFBERN C[C@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000928527594 723262796 /nfs/dbraw/zinc/26/27/96/723262796.db2.gz QPARYJIXBOPXEC-NSHDSACASA-N 0 0 326.780 2.818 10 5 EFBERN O=[N+]([O-])c1ccc(Br)c(OCCO[C@H]2CCOC2)c1 ZINC000724914259 716375274 /nfs/dbraw/zinc/37/52/74/716375274.db2.gz JKNFMYSVGWIDOL-JTQLQIEISA-N 0 0 332.150 2.542 10 5 EFBERN Cc1cnc2n1CC[C@H]2OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000893518298 716466116 /nfs/dbraw/zinc/46/61/16/716466116.db2.gz KRSHPHUBPZVPDE-CQSZACIVSA-N 0 0 330.344 2.590 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1cn[nH]c1 ZINC000235214986 716737439 /nfs/dbraw/zinc/73/74/39/716737439.db2.gz APRZFMXRECHSHF-SSDOTTSWSA-N 0 0 339.149 2.571 10 5 EFBERN C/C(=C/c1ccc(Cl)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000179366914 717401989 /nfs/dbraw/zinc/40/19/89/717401989.db2.gz CHKBSRPMEZLPOL-FLIBITNWSA-N 0 0 334.763 2.664 10 5 EFBERN NC(=O)c1ccc(Cl)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255777413 717641526 /nfs/dbraw/zinc/64/15/26/717641526.db2.gz RDMVJWJTSLHWJP-BAQGIRSFSA-N 0 0 345.742 2.999 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)C(C)C ZINC000305922583 717658646 /nfs/dbraw/zinc/65/86/46/717658646.db2.gz IEUBVASKPFXJGD-SNVBAGLBSA-N 0 0 330.182 2.917 10 5 EFBERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)O1 ZINC000091963607 717789374 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CC[S@@](C)(=O)=NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000925819413 719000162 /nfs/dbraw/zinc/00/01/62/719000162.db2.gz HDUOKWUCAPFEMC-LJQANCHMSA-N 0 0 349.206 2.544 10 5 EFBERN C/C(=C/C(=O)NC1(c2ncccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000893658909 719187513 /nfs/dbraw/zinc/18/75/13/719187513.db2.gz LRKSZYAGBGCKAU-SEYXRHQNSA-N 0 0 338.367 2.984 10 5 EFBERN C[C@@H](NCc1nc(Br)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000311934928 719273621 /nfs/dbraw/zinc/27/36/21/719273621.db2.gz WOZREOBZVPZBLX-MRVPVSSYSA-N 0 0 325.166 2.931 10 5 EFBERN COc1ccnc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1F ZINC000892941183 719296262 /nfs/dbraw/zinc/29/62/62/719296262.db2.gz UBCHSQIDKFDVOY-UHFFFAOYSA-N 0 0 333.319 2.684 10 5 EFBERN CC(=O)N1CC[C@@H](CN(C)c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000892975353 719378713 /nfs/dbraw/zinc/37/87/13/719378713.db2.gz NHDRYAYRXAQLEG-LBPRGKRZSA-N 0 0 346.362 2.587 10 5 EFBERN O=C(Cc1ccc(SC2CC2)cc1)OCCn1ccc([N+](=O)[O-])n1 ZINC000923767193 719660032 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2.678 10 5 EFBERN CSc1cccc(C(=O)N2C[C@@H](C)Cn3nccc32)c1[N+](=O)[O-] ZINC000893887918 720134292 /nfs/dbraw/zinc/13/42/92/720134292.db2.gz VCXYEXOGKYDGBU-SNVBAGLBSA-N 0 0 332.385 2.810 10 5 EFBERN C[C@@H]1Cn2nccc2N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000893880947 720140054 /nfs/dbraw/zinc/14/00/54/720140054.db2.gz NNUYTHIRSVTZCB-TUKIKUTGSA-N 0 0 326.356 2.578 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC2(CCC2)O1 ZINC000893910619 720156090 /nfs/dbraw/zinc/15/60/90/720156090.db2.gz GNTWEBNAELSEQL-ZDUSSCGKSA-N 0 0 334.372 2.582 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC2(CCC2)O1 ZINC000893910618 720156171 /nfs/dbraw/zinc/15/61/71/720156171.db2.gz GNTWEBNAELSEQL-CYBMUJFWSA-N 0 0 334.372 2.582 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC2(CCC2)O1 ZINC000893908939 720165665 /nfs/dbraw/zinc/16/56/65/720165665.db2.gz GMYXSMRZGVBAOM-GFCCVEGCSA-N 0 0 334.372 2.825 10 5 EFBERN COC(=O)[C@@H]1[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1(F)F ZINC000893945689 720177383 /nfs/dbraw/zinc/17/73/83/720177383.db2.gz JJZRFPUQVJBLCA-JSGCOSHPSA-N 0 0 340.326 2.614 10 5 EFBERN COC(=O)[C@@H]1[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC000893946353 720178482 /nfs/dbraw/zinc/17/84/82/720178482.db2.gz ZKZRIZACGDBQKM-KBPBESRZSA-N 0 0 340.326 2.614 10 5 EFBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000894043403 720244997 /nfs/dbraw/zinc/24/49/97/720244997.db2.gz SVQVNSXBNIQEQB-LURJTMIESA-N 0 0 337.120 2.670 10 5 EFBERN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000894019468 720221508 /nfs/dbraw/zinc/22/15/08/720221508.db2.gz NPLQLCVJNJWNMN-UKRRQHHQSA-N 0 0 342.399 2.975 10 5 EFBERN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000894020345 720222386 /nfs/dbraw/zinc/22/23/86/720222386.db2.gz SOSBTQGIVIAKSA-CZUORRHYSA-N 0 0 342.399 2.975 10 5 EFBERN Cc1n[nH]c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000894054326 720253604 /nfs/dbraw/zinc/25/36/04/720253604.db2.gz LQBYVJVNGGXHGC-UHFFFAOYSA-N 0 0 330.388 2.978 10 5 EFBERN CN(C)c1cc(F)c(C(=O)N(C)Cc2ccns2)cc1[N+](=O)[O-] ZINC000894067648 720261220 /nfs/dbraw/zinc/26/12/20/720261220.db2.gz MYDVYWIFQREGOT-UHFFFAOYSA-N 0 0 338.364 2.529 10 5 EFBERN Cc1nc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000178734653 720691083 /nfs/dbraw/zinc/69/10/83/720691083.db2.gz CCQPICQUSMTAKN-UHFFFAOYSA-N 0 0 335.385 2.961 10 5 EFBERN Cc1cccc(C)c1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000123456809 720839250 /nfs/dbraw/zinc/83/92/50/720839250.db2.gz CXDMGDYTHHOZJM-UHFFFAOYSA-N 0 0 326.399 2.752 10 5 EFBERN CCOC(=O)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000162689532 720913063 /nfs/dbraw/zinc/91/30/63/720913063.db2.gz YKSPTDHZVBFJLA-VIFPVBQESA-N 0 0 328.752 2.710 10 5 EFBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC(C1CCCC1)C1CCCC1 ZINC000123942139 720972966 /nfs/dbraw/zinc/97/29/66/720972966.db2.gz IVUYVGZZZUEEIP-UHFFFAOYSA-N 0 0 347.415 2.622 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)CSCc1ccc(Br)cc1 ZINC000814042459 721197517 /nfs/dbraw/zinc/19/75/17/721197517.db2.gz KZCCLYPUMLKNGS-SECBINFHSA-N 0 0 348.218 2.891 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000814044086 721199707 /nfs/dbraw/zinc/19/97/07/721199707.db2.gz OADOUJKXVVYBMM-VIFPVBQESA-N 0 0 330.178 2.935 10 5 EFBERN CS(=O)(=O)c1cc(C(=O)OC[C@@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000067295686 721241706 /nfs/dbraw/zinc/24/17/06/721241706.db2.gz HMCOVWMNIZULRH-LLVKDONJSA-N 0 0 339.369 2.511 10 5 EFBERN COc1ccc([C@@H](CCO)NCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000182389369 721313166 /nfs/dbraw/zinc/31/31/66/721313166.db2.gz FXIQTFHVXBUFQD-MRXNPFEDSA-N 0 0 334.347 2.956 10 5 EFBERN Cc1ccc(N(CC2CC2)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000894235245 721362039 /nfs/dbraw/zinc/36/20/39/721362039.db2.gz QKBBLNQCDOWTQG-UHFFFAOYSA-N 0 0 328.372 2.933 10 5 EFBERN COCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000016197820 721756397 /nfs/dbraw/zinc/75/63/97/721756397.db2.gz NBWQDHXXLVVVNU-JTQLQIEISA-N 0 0 348.311 2.518 10 5 EFBERN Cc1cc(F)cc(C(=O)NCC2(C3(O)CCC3)CCC2)c1[N+](=O)[O-] ZINC000924945370 721804052 /nfs/dbraw/zinc/80/40/52/721804052.db2.gz FPJRCPCAVZVHIS-UHFFFAOYSA-N 0 0 336.363 2.857 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894298453 721999755 /nfs/dbraw/zinc/99/97/55/721999755.db2.gz LWHVRFCKJAYSAY-RISCZKNCSA-N 0 0 328.372 2.860 10 5 EFBERN COC(=O)c1cnc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000894315365 722076733 /nfs/dbraw/zinc/07/67/33/722076733.db2.gz DXJYDKKTOKQZHY-SNVBAGLBSA-N 0 0 335.385 2.997 10 5 EFBERN COC(=O)[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000894334812 722116999 /nfs/dbraw/zinc/11/69/99/722116999.db2.gz HGIZSGOFTHAKIZ-BXKDBHETSA-N 0 0 333.319 2.527 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000894401905 722708777 /nfs/dbraw/zinc/70/87/77/722708777.db2.gz KOPZKUCNXDBMBL-GFCCVEGCSA-N 0 0 334.372 2.683 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CC2(CCC2)CO1 ZINC000894410721 722718266 /nfs/dbraw/zinc/71/82/66/722718266.db2.gz BSEQZJGUFOPQHU-HNNXBMFYSA-N 0 0 343.383 2.625 10 5 EFBERN CCNc1ccc(C(=O)NC[C@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000894420650 722731768 /nfs/dbraw/zinc/73/17/68/722731768.db2.gz OWTKNMOHGZILHK-CYBMUJFWSA-N 0 0 333.388 2.716 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000894498938 722758014 /nfs/dbraw/zinc/75/80/14/722758014.db2.gz CPWRICZSFIGLBW-GFCCVEGCSA-N 0 0 336.388 2.929 10 5 EFBERN COc1ccc(C(=O)NC[C@@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000894530965 722773607 /nfs/dbraw/zinc/77/36/07/722773607.db2.gz QZJCSFIIOAQGAU-ZDUSSCGKSA-N 0 0 334.372 2.683 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(SC)CCCCC2)n1 ZINC000894562486 722782407 /nfs/dbraw/zinc/78/24/07/722782407.db2.gz PAQDYQDKUPRJPL-UHFFFAOYSA-N 0 0 326.422 2.607 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCOC2(CCC2)C1 ZINC000894670293 722811878 /nfs/dbraw/zinc/81/18/78/722811878.db2.gz IBNKCTFGJSRKBW-MRXNPFEDSA-N 0 0 333.388 2.767 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894699882 722822279 /nfs/dbraw/zinc/82/22/79/722822279.db2.gz HLQUXXUUZDJOHK-XLNGHYISSA-N 0 0 330.384 2.726 10 5 EFBERN COc1cc(C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)cc([N+](=O)[O-])c1C ZINC000894701787 722822703 /nfs/dbraw/zinc/82/27/03/722822703.db2.gz CIIBBPUIUIESFR-DOMZBBRYSA-N 0 0 334.372 2.553 10 5 EFBERN CSc1cccc(C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000894703620 722822955 /nfs/dbraw/zinc/82/29/55/722822955.db2.gz KMWHNTRELNPPCH-AAEUAGOBSA-N 0 0 336.413 2.958 10 5 EFBERN O=C(N1CC[C@@H]([C@H]2CCCO2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000894711644 722823598 /nfs/dbraw/zinc/82/35/98/722823598.db2.gz KKVHXMWIRKZLRJ-BXUZGUMPSA-N 0 0 340.326 2.714 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894713710 722823953 /nfs/dbraw/zinc/82/39/53/722823953.db2.gz YJYRLUWUXSPXJZ-LKFCYVNXSA-N 0 0 326.299 2.514 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894713712 722824063 /nfs/dbraw/zinc/82/40/63/722824063.db2.gz YJYRLUWUXSPXJZ-XPTSAGLGSA-N 0 0 326.299 2.514 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894730811 722830061 /nfs/dbraw/zinc/83/00/61/722830061.db2.gz DTXXDFXNMYPCFX-IUODEOHRSA-N 0 0 336.413 2.714 10 5 EFBERN COC(=O)c1cnc(CN(C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000894740082 722834344 /nfs/dbraw/zinc/83/43/44/722834344.db2.gz YWRISSJIFWQKMS-UHFFFAOYSA-N 0 0 335.385 2.512 10 5 EFBERN COC[C@H](NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000894829795 722872647 /nfs/dbraw/zinc/87/26/47/722872647.db2.gz WRACFWMTBFFEPW-PKWBTQPSSA-N 0 0 348.399 2.556 10 5 EFBERN Cn1nc(C(F)(F)F)cc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000917710282 728778727 /nfs/dbraw/zinc/77/87/27/728778727.db2.gz LQTYQKGPOPWIQZ-UHFFFAOYSA-N 0 0 336.657 2.975 10 5 EFBERN CCn1cc(Cl)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000894896635 723013074 /nfs/dbraw/zinc/01/30/74/723013074.db2.gz YSAUVUOBESJUCD-UHFFFAOYSA-N 0 0 337.767 2.540 10 5 EFBERN CCCC[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000126778669 723098172 /nfs/dbraw/zinc/09/81/72/723098172.db2.gz LYJFQLYGLLQLHG-RYUDHWBXSA-N 0 0 338.360 2.914 10 5 EFBERN O=[N+]([O-])c1cn(C[C@H]2CC[C@H](C3CC3)O2)nc1-c1ccc(F)cn1 ZINC000917789274 728788303 /nfs/dbraw/zinc/78/83/03/728788303.db2.gz MAQJTANHWRIKOB-IUODEOHRSA-N 0 0 332.335 2.950 10 5 EFBERN O=[N+]([O-])c1cn(C[C@@H]2CC[C@@H](C3CC3)O2)nc1-c1ccc(F)cn1 ZINC000917789276 728788334 /nfs/dbraw/zinc/78/83/34/728788334.db2.gz MAQJTANHWRIKOB-WFASDCNBSA-N 0 0 332.335 2.950 10 5 EFBERN COC(=O)c1cccc(OC[C@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000917848300 728797029 /nfs/dbraw/zinc/79/70/29/728797029.db2.gz YJFCHKDQRXPVBG-LDYMZIIASA-N 0 0 349.261 2.870 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@]2(C)c2ccccc2)n1 ZINC000896242836 723211447 /nfs/dbraw/zinc/21/14/47/723211447.db2.gz WJVSKWZBIWSHRQ-MEDUHNTESA-N 0 0 325.328 2.824 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(CO)(C(F)(F)F)CC1 ZINC000896330936 723257328 /nfs/dbraw/zinc/25/73/28/723257328.db2.gz DMULZJDPIMOZHK-UHFFFAOYSA-N 0 0 346.305 2.939 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)s1 ZINC000064241510 728803662 /nfs/dbraw/zinc/80/36/62/728803662.db2.gz MNJQBDSPILDUHL-UHFFFAOYSA-N 0 0 325.367 2.913 10 5 EFBERN Cc1cc(C(=O)OCc2ccc3c(c2)OCCO3)c(N)c([N+](=O)[O-])c1 ZINC000727898759 723263061 /nfs/dbraw/zinc/26/30/61/723263061.db2.gz KEXKKTLRWJHUKD-UHFFFAOYSA-N 0 0 344.323 2.614 10 5 EFBERN CC(=O)NCCCCCOc1c(F)c(F)c([N+](=O)[O-])c(F)c1F ZINC000917928674 728810191 /nfs/dbraw/zinc/81/01/91/728810191.db2.gz JPAPBAJCTOGJGV-UHFFFAOYSA-N 0 0 338.257 2.836 10 5 EFBERN CC(C)(O)[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000721820918 723448103 /nfs/dbraw/zinc/44/81/03/723448103.db2.gz FHWUXEQYXZEDQQ-LLVKDONJSA-N 0 0 343.221 2.950 10 5 EFBERN CC(=O)c1ccc(N2CCC(N3CCCOC3=O)CC2)c([N+](=O)[O-])c1 ZINC000896868782 723556517 /nfs/dbraw/zinc/55/65/17/723556517.db2.gz NQYCCAOZHFMJHV-UHFFFAOYSA-N 0 0 347.371 2.609 10 5 EFBERN CC(=O)c1ccc(N2CCOC[C@@H]2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000896889362 723580841 /nfs/dbraw/zinc/58/08/41/723580841.db2.gz IZKXAEQQAYJTQZ-GJZGRUSLSA-N 0 0 334.372 2.572 10 5 EFBERN O=[N+]([O-])c1ccc(OCCSC[C@H]2CCC3(COC3)O2)cc1 ZINC000918160212 728847883 /nfs/dbraw/zinc/84/78/83/728847883.db2.gz XLIVCWNWRCJRMZ-CQSZACIVSA-N 0 0 325.386 2.655 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000728201000 723845360 /nfs/dbraw/zinc/84/53/60/723845360.db2.gz AAZPTPPNRMSKGW-HZSPNIEDSA-N 0 0 331.416 2.850 10 5 EFBERN COc1cccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000728201662 723846053 /nfs/dbraw/zinc/84/60/53/723846053.db2.gz LWHKYAKSMIWHIK-LBPRGKRZSA-N 0 0 341.367 2.993 10 5 EFBERN CCC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000727183975 723851723 /nfs/dbraw/zinc/85/17/23/723851723.db2.gz VXPGHXADSKSDEC-GFCCVEGCSA-N 0 0 334.372 2.967 10 5 EFBERN C[C@@H](CC(=O)OCc1csc([N+](=O)[O-])c1)NC(=O)C1CCCC1 ZINC000727204858 723858530 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PEQDXNUPLXAKKV-CQSZACIVSA-N 0 0 328.372 2.915 10 5 EFBERN CC(=O)c1cc(N2CCC(c3ccn(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000895642879 724239614 /nfs/dbraw/zinc/23/96/14/724239614.db2.gz MKSNFZKYAHTWTI-UHFFFAOYSA-N 0 0 328.372 2.915 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CCCn4nncc4C3)o2)c1 ZINC000895756828 724300411 /nfs/dbraw/zinc/30/04/11/724300411.db2.gz NHSDIKCCIUKTGM-UHFFFAOYSA-N 0 0 339.355 2.852 10 5 EFBERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](Nc1ccc([N+](=O)[O-])nc1)C2 ZINC000897299191 724303232 /nfs/dbraw/zinc/30/32/32/724303232.db2.gz WOVGGMLXAWUBEA-AGIUHOORSA-N 0 0 334.376 2.942 10 5 EFBERN C[C@@H](NC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000895783477 724311773 /nfs/dbraw/zinc/31/17/73/724311773.db2.gz VUQGXYUWGJZLFH-DOMZBBRYSA-N 0 0 347.415 2.809 10 5 EFBERN Cc1csc([C@@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000727669593 724320836 /nfs/dbraw/zinc/32/08/36/724320836.db2.gz OGILHRGSTSTFGF-SNVBAGLBSA-N 0 0 345.384 2.587 10 5 EFBERN 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EFBERN C[C@H](NC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000914239819 726192475 /nfs/dbraw/zinc/19/24/75/726192475.db2.gz PMWLSZKCHHZSAL-ZIEJDFEHSA-N 0 0 331.372 2.546 10 5 EFBERN Cc1c(Br)c(N2CC[C@@H](C(C)(C)O)C2)ncc1[N+](=O)[O-] ZINC000721873261 726198307 /nfs/dbraw/zinc/19/83/07/726198307.db2.gz LUTRBVBIZUGQEN-SECBINFHSA-N 0 0 344.209 2.658 10 5 EFBERN C[C@@H](OC(=O)C[C@@H](C)n1cccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000729290383 726225111 /nfs/dbraw/zinc/22/51/11/726225111.db2.gz HCMSFFIIDVCPEV-CHWSQXEVSA-N 0 0 345.355 2.918 10 5 EFBERN COc1ccc(CNC(=O)N[C@@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000914300708 726225176 /nfs/dbraw/zinc/22/51/76/726225176.db2.gz ZMIAWACCWGSLFO-CMPLNLGQSA-N 0 0 339.417 2.687 10 5 EFBERN C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)n1cccc1 ZINC000729291257 726225342 /nfs/dbraw/zinc/22/53/42/726225342.db2.gz PKKQHNLTMPPLOD-OLZOCXBDSA-N 0 0 345.355 2.918 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1([C@H]2CCCCO2)CC1 ZINC000914325517 726236016 /nfs/dbraw/zinc/23/60/16/726236016.db2.gz MBWQAHVBCLGRJQ-OAHLLOKOSA-N 0 0 333.388 2.538 10 5 EFBERN CC(F)(F)CCCS(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC000914379683 726269277 /nfs/dbraw/zinc/26/92/77/726269277.db2.gz CUTHOAMGHNHNCR-UHFFFAOYSA-N 0 0 327.280 2.878 10 5 EFBERN CN(CCOC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000731140553 726812566 /nfs/dbraw/zinc/81/25/66/726812566.db2.gz VPAXHJCEQHBABW-UHFFFAOYSA-N 0 0 338.360 2.547 10 5 EFBERN Cc1sc(C(=O)OCCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000731141362 726812621 /nfs/dbraw/zinc/81/26/21/726812621.db2.gz HOUPMMHSYRXZSN-UHFFFAOYSA-N 0 0 344.389 2.988 10 5 EFBERN CC[C@@H](NC(=O)c1c2c(nn1C)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000906911754 726819451 /nfs/dbraw/zinc/81/94/51/726819451.db2.gz BGHJSPQVOHWCPC-CQSZACIVSA-N 0 0 328.372 2.698 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC12CCOCC2 ZINC000906896452 726822851 /nfs/dbraw/zinc/82/28/51/726822851.db2.gz WWEGFRAOKPPVMS-UHFFFAOYSA-N 0 0 338.791 2.962 10 5 EFBERN CC(C)[C@@H](CCO)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906967829 726834293 /nfs/dbraw/zinc/83/42/93/726834293.db2.gz VOHSWQFXYHDQNK-CQSZACIVSA-N 0 0 328.796 2.704 10 5 EFBERN O=C([C@@H]1CCO[C@H]1C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000907060386 726856454 /nfs/dbraw/zinc/85/64/54/726856454.db2.gz FPQYFXXDNSPLCC-SJORKVTESA-N 0 0 330.384 2.901 10 5 EFBERN O=C([C@@H]1CCO[C@H]1C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000907085719 726864851 /nfs/dbraw/zinc/86/48/51/726864851.db2.gz IUGXGWIMXSCDBI-WBVHZDCISA-N 0 0 330.384 2.901 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC2(CCC2)O1 ZINC000915096961 726865113 /nfs/dbraw/zinc/86/51/13/726865113.db2.gz DJPZSWHDPUHUHP-OAHLLOKOSA-N 0 0 333.388 2.886 10 5 EFBERN Cc1cc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)[nH]1 ZINC000731510228 726885677 /nfs/dbraw/zinc/88/56/77/726885677.db2.gz IQSAOKBKQMKKGU-HNNXBMFYSA-N 0 0 343.339 2.502 10 5 EFBERN COC(=O)/C=C\c1ccc(NC[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000915211264 726898865 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O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](c1cccc(Cl)c1)C(F)F ZINC001583301500 1091958332 /nfs/dbraw/zinc/95/83/32/1091958332.db2.gz UVLFDLSKIVOXDG-LBPRGKRZSA-N 0 0 344.705 2.567 10 5 EFBERN Cc1ccc2ccccc2c1OC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001583337978 1091971025 /nfs/dbraw/zinc/97/10/25/1091971025.db2.gz RWVWMIWEPNYWMG-UHFFFAOYSA-N 0 0 338.319 2.824 10 5 EFBERN CN(Cc1ccns1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001583360844 1091977731 /nfs/dbraw/zinc/97/77/31/1091977731.db2.gz DBDHLJUXLXZGHP-UHFFFAOYSA-N 0 0 343.368 2.509 10 5 EFBERN Cc1cnc2c(cnn2CC(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001583378684 1091981605 /nfs/dbraw/zinc/98/16/05/1091981605.db2.gz JFRYPPVENGSQOS-UHFFFAOYSA-N 0 0 340.339 2.700 10 5 EFBERN C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001583393715 1091988706 /nfs/dbraw/zinc/98/87/06/1091988706.db2.gz HJGFABFVPQEOED-STQMWFEESA-N 0 0 349.431 2.787 10 5 EFBERN COCc1ccnc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)c1 ZINC001583392714 1091989148 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Cc1noc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC001584422690 1092171058 /nfs/dbraw/zinc/17/10/58/1092171058.db2.gz PBHQJRFEWMTMBX-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN O=C(NCc1ccc2c(c1)OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 ZINC001584582821 1092209894 /nfs/dbraw/zinc/20/98/94/1092209894.db2.gz OICKRNUGVHSTQT-UHFFFAOYSA-N 0 0 336.250 2.846 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001584614639 1092219388 /nfs/dbraw/zinc/21/93/88/1092219388.db2.gz JWAWREMWTASSDS-NSHDSACASA-N 0 0 332.335 2.785 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H](c2ncccc2C)C(C)(C)C)c1[N+](=O)[O-] ZINC001648480850 1092222266 /nfs/dbraw/zinc/22/22/66/1092222266.db2.gz IQCJXXUDXVVGBD-CQSZACIVSA-N 0 0 331.376 2.847 10 5 EFBERN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001648527222 1092228805 /nfs/dbraw/zinc/22/88/05/1092228805.db2.gz XHNSVJWRYVCEMC-UHFFFAOYSA-N 0 0 325.328 2.585 10 5 EFBERN Cc1cc(NC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001584644659 1092231510 /nfs/dbraw/zinc/23/15/10/1092231510.db2.gz NXPYBNUDXSHUGR-QLQJRFMMSA-N 0 0 343.383 2.871 10 5 EFBERN Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1 ZINC001584647228 1092232971 /nfs/dbraw/zinc/23/29/71/1092232971.db2.gz KHDYBJKBCSQDRJ-UHFFFAOYSA-N 0 0 345.380 2.733 10 5 EFBERN COc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C)n2)nc1 ZINC001648619021 1092240649 /nfs/dbraw/zinc/24/06/49/1092240649.db2.gz DIEGRBXPFHBNFA-INIZCTEOSA-N 0 0 342.355 2.679 10 5 EFBERN CCc1c(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)cnn1CC ZINC001584744943 1092269189 /nfs/dbraw/zinc/26/91/89/1092269189.db2.gz SKIDCXMMJZGMBD-UHFFFAOYSA-N 0 0 346.387 2.797 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC001584786188 1092285291 /nfs/dbraw/zinc/28/52/91/1092285291.db2.gz VZMFJIJIQKHIAV-UHFFFAOYSA-N 0 0 327.340 2.539 10 5 EFBERN CCn1cc(OC(=O)c2c(Br)cccc2[N+](=O)[O-])cn1 ZINC001584857472 1092309450 /nfs/dbraw/zinc/30/94/50/1092309450.db2.gz ZAYSLGCXJVHDDO-UHFFFAOYSA-N 0 0 340.133 2.793 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC001584973479 1092343484 /nfs/dbraw/zinc/34/34/84/1092343484.db2.gz MCXMXQSGFSYJIN-HNNXBMFYSA-N 0 0 328.324 2.726 10 5 EFBERN COC(=O)c1ncccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001584993042 1092347330 /nfs/dbraw/zinc/34/73/30/1092347330.db2.gz SIWFQSLISCFLMW-QWHCGFSZSA-N 0 0 341.323 2.519 10 5 EFBERN Cc1c(C(=O)N2Cc3ccc(O)cc3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001585034166 1092354989 /nfs/dbraw/zinc/35/49/89/1092354989.db2.gz QVIOUWZFGHLDAK-UHFFFAOYSA-N 0 0 343.295 2.673 10 5 EFBERN COc1cc(C(=O)Nc2nccnc2C(C)C)c([N+](=O)[O-])cc1OC ZINC001585104209 1092371466 /nfs/dbraw/zinc/37/14/66/1092371466.db2.gz VUJPTSFHTHWHQW-UHFFFAOYSA-N 0 0 346.343 2.778 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC2([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC001585145068 1092383527 /nfs/dbraw/zinc/38/35/27/1092383527.db2.gz PMLBKZVEUHISMF-CQSZACIVSA-N 0 0 349.343 2.643 10 5 EFBERN COC(=O)c1cc2cccnc2c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC001585185500 1092394848 /nfs/dbraw/zinc/39/48/48/1092394848.db2.gz MAICNUALQFAQEH-UHFFFAOYSA-N 0 0 345.355 2.795 10 5 EFBERN NC(=O)c1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001585244201 1092420141 /nfs/dbraw/zinc/42/01/41/1092420141.db2.gz RLRWRMAQDCRGDX-UHFFFAOYSA-N 0 0 347.758 2.918 10 5 EFBERN Cc1csc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1Cl ZINC001585249719 1092421240 /nfs/dbraw/zinc/42/12/40/1092421240.db2.gz XGJJTFDDXLGSRA-UHFFFAOYSA-N 0 0 339.760 2.969 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001649386233 1092446642 /nfs/dbraw/zinc/44/66/42/1092446642.db2.gz APENYLZTKRDCCM-ZOBORPQBSA-N 0 0 340.383 2.802 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001585356587 1092460031 /nfs/dbraw/zinc/46/00/31/1092460031.db2.gz OFASWPCFDNHDHA-UHFFFAOYSA-N 0 0 348.305 2.729 10 5 EFBERN CCN(CCCNC(=O)C=C(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001649437295 1092460668 /nfs/dbraw/zinc/46/06/68/1092460668.db2.gz NTNRCNMKTDCZOR-UHFFFAOYSA-N 0 0 325.434 2.951 10 5 EFBERN COc1cc(C(=O)N[C@H]2COCc3ccccc32)c([N+](=O)[O-])cc1F ZINC001585389868 1092471585 /nfs/dbraw/zinc/47/15/85/1092471585.db2.gz GGIXFADROKWLOY-AWEZNQCLSA-N 0 0 346.314 2.744 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1CC1(C)C ZINC001585399729 1092473180 /nfs/dbraw/zinc/47/31/80/1092473180.db2.gz SWERGUUGJNRBCS-STQMWFEESA-N 0 0 334.372 2.921 10 5 EFBERN Cc1ccccc1OCCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001649447653 1092474200 /nfs/dbraw/zinc/47/42/00/1092474200.db2.gz VAKXPKJDDNLOSL-UHFFFAOYSA-N 0 0 329.356 2.517 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC001585523719 1092510981 /nfs/dbraw/zinc/51/09/81/1092510981.db2.gz ZXHMXPSJCRPGBM-UHFFFAOYSA-N 0 0 328.328 2.533 10 5 EFBERN O=C(NCC1CCc2ccccc2CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001585593075 1092520226 /nfs/dbraw/zinc/52/02/26/1092520226.db2.gz WQCPZIVMQCJXDK-UHFFFAOYSA-N 0 0 348.790 2.896 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1NC(=O)C[C@H]1c1ccccc1 ZINC001649492385 1092533415 /nfs/dbraw/zinc/53/34/15/1092533415.db2.gz ZRNUQVAOZHNEQV-INIZCTEOSA-N 0 0 339.351 2.532 10 5 EFBERN COC(=O)c1ccc(OC)c(F)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001585665677 1092540136 /nfs/dbraw/zinc/54/01/36/1092540136.db2.gz WCJMRKKRUZSBRR-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1C ZINC001585682236 1092544054 /nfs/dbraw/zinc/54/40/54/1092544054.db2.gz DFXARQDWLKCQJG-UHFFFAOYSA-N 0 0 347.302 2.785 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cnccc1C(F)(F)F ZINC001167513985 1092545850 /nfs/dbraw/zinc/54/58/50/1092545850.db2.gz LDBMXDNIXBIBKV-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN CCS[C@H]1CCCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001585730644 1092557962 /nfs/dbraw/zinc/55/79/62/1092557962.db2.gz UQPZJVLLLSEJRH-QMMMGPOBSA-N 0 0 332.813 2.719 10 5 EFBERN CC[C@@H]1CCCc2sc(NC(=O)Cn3cc([N+](=O)[O-])cn3)nc21 ZINC001585797781 1092575826 /nfs/dbraw/zinc/57/58/26/1092575826.db2.gz DGEUFONQZSDWEG-SECBINFHSA-N 0 0 335.389 2.716 10 5 EFBERN CN(C)c1ccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cn1 ZINC001585832363 1092588602 /nfs/dbraw/zinc/58/86/02/1092588602.db2.gz CVBRUVGSDOLISI-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN COc1cnc(F)c(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001585837483 1092590765 /nfs/dbraw/zinc/59/07/65/1092590765.db2.gz NGAMOERSMKRVMA-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN CCOC(=O)C(C)(C)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585841565 1092592955 /nfs/dbraw/zinc/59/29/55/1092592955.db2.gz JVUHLQFHKNFAQT-UHFFFAOYSA-N 0 0 331.328 2.671 10 5 EFBERN CC(C)(C)n1cnc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC001585840933 1092593060 /nfs/dbraw/zinc/59/30/60/1092593060.db2.gz CMVMSPHUJMFASP-UHFFFAOYSA-N 0 0 340.343 2.742 10 5 EFBERN CCOc1cncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001585853135 1092598158 /nfs/dbraw/zinc/59/81/58/1092598158.db2.gz HRMWWULHQSHVTG-UHFFFAOYSA-N 0 0 342.355 2.844 10 5 EFBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(N)=O)c1 ZINC001585877152 1092607662 /nfs/dbraw/zinc/60/76/62/1092607662.db2.gz QZCNFQWBNYONGM-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN CSc1cccc(C(=O)Nc2ccc(CO)c(CO)c2)c1[N+](=O)[O-] ZINC001585890431 1092611758 /nfs/dbraw/zinc/61/17/58/1092611758.db2.gz FXFDVFGKCSPLLK-UHFFFAOYSA-N 0 0 348.380 2.554 10 5 EFBERN CC(C)(CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001585992944 1092646969 /nfs/dbraw/zinc/64/69/69/1092646969.db2.gz KAIWCUWBRTYYEX-UHFFFAOYSA-N 0 0 328.781 2.740 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccc(F)cn2)CC1 ZINC001586040145 1092664275 /nfs/dbraw/zinc/66/42/75/1092664275.db2.gz HHORLMBPMXYTIR-UHFFFAOYSA-N 0 0 344.346 2.731 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccncc1OC(C)C ZINC001586104688 1092682505 /nfs/dbraw/zinc/68/25/05/1092682505.db2.gz ZQRBNAWGGVGSFM-UHFFFAOYSA-N 0 0 345.355 2.850 10 5 EFBERN CC(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cn1 ZINC001586162914 1092698980 /nfs/dbraw/zinc/69/89/80/1092698980.db2.gz YFLZGCPLXSXCAM-UHFFFAOYSA-N 0 0 340.343 2.810 10 5 EFBERN CC(C)n1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC001586203078 1092708596 /nfs/dbraw/zinc/70/85/96/1092708596.db2.gz QNDSKUJYGDJJOX-UHFFFAOYSA-N 0 0 340.343 2.810 10 5 EFBERN O=C(Nc1cnn2ccccc12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001586206776 1092710252 /nfs/dbraw/zinc/71/02/52/1092710252.db2.gz FDFYDYVXOBGOOM-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN CCNC(=O)c1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c(C)s1 ZINC001586239530 1092714512 /nfs/dbraw/zinc/71/45/12/1092714512.db2.gz ASLZCJYGGFSFBJ-UHFFFAOYSA-N 0 0 348.384 2.549 10 5 EFBERN CC(C)(C)OC(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001586240176 1092714695 /nfs/dbraw/zinc/71/46/95/1092714695.db2.gz LWBBCVVUSHHOCV-UHFFFAOYSA-N 0 0 345.355 2.808 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2nc(F)ccc21 ZINC001586267566 1092717211 /nfs/dbraw/zinc/71/72/11/1092717211.db2.gz USRQTJLQAIUZLA-UHFFFAOYSA-N 0 0 340.314 2.742 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(O)c2)on1 ZINC001586258779 1092717490 /nfs/dbraw/zinc/71/74/90/1092717490.db2.gz CRFGSZYLJLHFRZ-UHFFFAOYSA-N 0 0 339.307 2.885 10 5 EFBERN C[C@@H](Cc1cccnc1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001586274729 1092717903 /nfs/dbraw/zinc/71/79/03/1092717903.db2.gz BOHQKFFPGZNVNU-LBPRGKRZSA-N 0 0 336.351 2.899 10 5 EFBERN CN(CC(=O)Nc1nn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001586356919 1092725929 /nfs/dbraw/zinc/72/59/29/1092725929.db2.gz PJWNPXVJGRIKNP-UHFFFAOYSA-N 0 0 339.355 2.556 10 5 EFBERN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ncccn1 ZINC001586346672 1092726206 /nfs/dbraw/zinc/72/62/06/1092726206.db2.gz GJVLVVZQSQNJKO-UHFFFAOYSA-N 0 0 335.323 2.723 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2cccc3c2OCC3)cc([N+](=O)[O-])c1 ZINC001586379079 1092728465 /nfs/dbraw/zinc/72/84/65/1092728465.db2.gz MTQGKFNPKMGECE-UHFFFAOYSA-N 0 0 342.307 2.569 10 5 EFBERN CC(C)(C)CC[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC001586424746 1092733195 /nfs/dbraw/zinc/73/31/95/1092733195.db2.gz SLXZNZNGJPMYTE-CYBMUJFWSA-N 0 0 349.431 2.669 10 5 EFBERN COc1ccc(F)c(OC)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001586460677 1092735935 /nfs/dbraw/zinc/73/59/35/1092735935.db2.gz DDROJIOGZNNDLJ-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1c(C2CC2)cnn1C ZINC001586509285 1092741131 /nfs/dbraw/zinc/74/11/31/1092741131.db2.gz BTLXARHNVQOJDM-UHFFFAOYSA-N 0 0 332.335 2.583 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2COc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC001586629422 1092747023 /nfs/dbraw/zinc/74/70/23/1092747023.db2.gz SHWCJXSXAWXDLQ-AWEZNQCLSA-N 0 0 330.315 2.776 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)CCN2 ZINC001586635613 1092748886 /nfs/dbraw/zinc/74/88/86/1092748886.db2.gz QBSBRMYJHFJDQH-UHFFFAOYSA-N 0 0 347.762 2.606 10 5 EFBERN O=C(Nc1ccnc(F)c1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001586660232 1092749632 /nfs/dbraw/zinc/74/96/32/1092749632.db2.gz BQMFWBKXKBVJBY-UHFFFAOYSA-N 0 0 329.209 2.999 10 5 EFBERN CC(C)(C)C(=O)NCCC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586713694 1092753314 /nfs/dbraw/zinc/75/33/14/1092753314.db2.gz AQTRLFHFJDDAPW-UHFFFAOYSA-N 0 0 344.371 2.634 10 5 EFBERN Cc1noc([C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC001586722632 1092753989 /nfs/dbraw/zinc/75/39/89/1092753989.db2.gz YVIUCAIXSWVNDF-RRFJBIMHSA-N 0 0 344.371 2.903 10 5 EFBERN CCn1ccc(CC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n1 ZINC001586721456 1092754525 /nfs/dbraw/zinc/75/45/25/1092754525.db2.gz UWJONQBRUWLEOE-UHFFFAOYSA-N 0 0 325.328 2.541 10 5 EFBERN O=C(NCc1nc2cc(F)ccc2[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC001586875246 1092765265 /nfs/dbraw/zinc/76/52/65/1092765265.db2.gz FDIKXNYSGLFXMG-UHFFFAOYSA-N 0 0 332.266 2.679 10 5 EFBERN CCS[C@@H]1CC[C@H](N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001586919292 1092768381 /nfs/dbraw/zinc/76/83/81/1092768381.db2.gz COGPOIBSDJCGQF-JGVFFNPUSA-N 0 0 332.813 2.718 10 5 EFBERN O=C(Nc1ccc(OC(F)F)cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001586923043 1092769920 /nfs/dbraw/zinc/76/99/20/1092769920.db2.gz ACIXJGRUZLPSIB-ZDUSSCGKSA-N 0 0 338.266 2.868 10 5 EFBERN CNc1nc(C)cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001587003075 1092775246 /nfs/dbraw/zinc/77/52/46/1092775246.db2.gz SLGSKLGGRXCHJH-UHFFFAOYSA-N 0 0 338.327 2.535 10 5 EFBERN Cn1cc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c(Cl)n1 ZINC001586995070 1092775321 /nfs/dbraw/zinc/77/53/21/1092775321.db2.gz LQTCQWJIOIHEEP-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC(O)(c2ccccc2)C1 ZINC001587105705 1092783369 /nfs/dbraw/zinc/78/33/69/1092783369.db2.gz STBLYMOGQPCYLG-UHFFFAOYSA-N 0 0 332.743 2.592 10 5 EFBERN CCn1c(Br)ncc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001587128065 1092785179 /nfs/dbraw/zinc/78/51/79/1092785179.db2.gz HZWJOWIKMULOMM-UHFFFAOYSA-N 0 0 339.149 2.826 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCc1ccccc1F ZINC001587190488 1092791284 /nfs/dbraw/zinc/79/12/84/1092791284.db2.gz XCFDSDBKTQXLNB-UHFFFAOYSA-N 0 0 349.293 2.761 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)OCc2ccc3c(c2)C[C@H](C)O3)n1 ZINC001587199863 1092791596 /nfs/dbraw/zinc/79/15/96/1092791596.db2.gz NRWPOFMXDJYCRL-NSHDSACASA-N 0 0 328.324 2.979 10 5 EFBERN Cn1nc2c(c1NC(=O)CCNc1ccccc1[N+](=O)[O-])CCCC2 ZINC001587250228 1092793633 /nfs/dbraw/zinc/79/36/33/1092793633.db2.gz HPBQDRSHWRHNBP-UHFFFAOYSA-N 0 0 343.387 2.648 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCc3nc(F)ccc32)cc1[N+](=O)[O-] ZINC001587343733 1092802818 /nfs/dbraw/zinc/80/28/18/1092802818.db2.gz RRKKRDZLWMCEID-UHFFFAOYSA-N 0 0 346.274 2.548 10 5 EFBERN Cc1ccc(C(=O)Nc2c([N+](=O)[O-])ncn2C)cc1-n1cccc1 ZINC001587348806 1092804440 /nfs/dbraw/zinc/80/44/40/1092804440.db2.gz WWNHQEQOIKDCIR-UHFFFAOYSA-N 0 0 325.328 2.680 10 5 EFBERN Cn1ccc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001587411358 1092810962 /nfs/dbraw/zinc/81/09/62/1092810962.db2.gz IKTDBZLXSBDXNO-NSHDSACASA-N 0 0 329.234 2.789 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccn(CC(F)F)n1 ZINC001587518678 1092817375 /nfs/dbraw/zinc/81/73/75/1092817375.db2.gz ZYJTZYJXLFQGQA-UHFFFAOYSA-N 0 0 344.705 2.891 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC001587554656 1092820719 /nfs/dbraw/zinc/82/07/19/1092820719.db2.gz BEFPGVQBOQHCAK-OCCSQVGLSA-N 0 0 344.289 2.586 10 5 EFBERN CCc1nc2c(nccc2C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC001587560326 1092822611 /nfs/dbraw/zinc/82/26/11/1092822611.db2.gz ZGCHUGZDIULVJD-UHFFFAOYSA-N 0 0 339.355 2.667 10 5 EFBERN COc1ccnc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1F ZINC001587607973 1092828781 /nfs/dbraw/zinc/82/87/81/1092828781.db2.gz FEBGAERCVSJJLR-UHFFFAOYSA-N 0 0 337.282 2.515 10 5 EFBERN Nc1ncc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001587634342 1092834233 /nfs/dbraw/zinc/83/42/33/1092834233.db2.gz NOKIXXNHOPGVPB-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587646614 1092835272 /nfs/dbraw/zinc/83/52/72/1092835272.db2.gz CHRKCXMIJZCOSN-OCCSQVGLSA-N 0 0 340.383 2.665 10 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/nfs/dbraw/zinc/88/52/00/1092885200.db2.gz ORXOOMSKUBITQX-WBMJQRKESA-N 0 0 329.356 2.540 10 5 EFBERN O=C(Cc1cccc2nsnc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001588044171 1092886373 /nfs/dbraw/zinc/88/63/73/1092886373.db2.gz LFEKKZAJQCHIIX-UHFFFAOYSA-N 0 0 340.364 2.731 10 5 EFBERN CC1(C)CCC[C@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001588151393 1092897389 /nfs/dbraw/zinc/89/73/89/1092897389.db2.gz IUHASMZKOLJUDY-ZDUSSCGKSA-N 0 0 343.387 2.732 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)Cc2cncnc21 ZINC001588250587 1092909209 /nfs/dbraw/zinc/90/92/09/1092909209.db2.gz JMSINJKVSYHNNW-VIFPVBQESA-N 0 0 332.747 2.798 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCN(C)c1ccccn1 ZINC001588316981 1092917633 /nfs/dbraw/zinc/91/76/33/1092917633.db2.gz GZKKXCJJKWZHIL-UHFFFAOYSA-N 0 0 342.399 2.863 10 5 EFBERN Cc1[nH]ccc1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001589277181 1093063769 /nfs/dbraw/zinc/06/37/69/1093063769.db2.gz RLOULOIEODXQDW-UHFFFAOYSA-N 0 0 338.161 2.924 10 5 EFBERN Cc1cscc1C(=O)NCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001267190981 1093140381 /nfs/dbraw/zinc/14/03/81/1093140381.db2.gz JYSJTQIXMSXVTI-UHFFFAOYSA-N 0 0 333.413 2.827 10 5 EFBERN CN(CCNC(=O)CC1CC(F)(F)C1)Cc1ccccc1[N+](=O)[O-] ZINC001267202827 1093182324 /nfs/dbraw/zinc/18/23/24/1093182324.db2.gz IKPHSQOJKFZRGW-UHFFFAOYSA-N 0 0 341.358 2.578 10 5 EFBERN Cc1cc(F)cc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001267218965 1093233562 /nfs/dbraw/zinc/23/35/62/1093233562.db2.gz IWYILYUZKVAORH-UHFFFAOYSA-N 0 0 345.374 2.904 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1COCCO1 ZINC000780351496 1093319260 /nfs/dbraw/zinc/31/92/60/1093319260.db2.gz OPHNKFBBHSMATH-LBPRGKRZSA-N 0 0 341.385 2.669 10 5 EFBERN C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC001267258242 1093392223 /nfs/dbraw/zinc/39/22/23/1093392223.db2.gz MTSGTXFNXKIERW-MRVPVSSYSA-N 0 0 341.270 2.848 10 5 EFBERN C/C(=C/C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000843616543 1093468254 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CC(C)N1C(=O)C[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1=O ZINC001650811508 1093496599 /nfs/dbraw/zinc/49/65/99/1093496599.db2.gz KKDWLDZMVZGUNO-JTQLQIEISA-N 0 0 345.277 2.561 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2Cc3cncnc3[C@@H](C)C2)c1 ZINC001650868869 1093503381 /nfs/dbraw/zinc/50/33/81/1093503381.db2.gz GSYSMFCBNYBXHJ-JTQLQIEISA-N 0 0 344.396 2.866 10 5 EFBERN CCc1n[nH]cc1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000785169532 1093503828 /nfs/dbraw/zinc/50/38/28/1093503828.db2.gz JSSUZQCMTFVLOW-UHFFFAOYSA-N 0 0 342.311 2.892 10 5 EFBERN O=[N+]([O-])c1cccc(CCNc2cc(C(F)F)nc3ncnn32)c1 ZINC001650934861 1093511616 /nfs/dbraw/zinc/51/16/16/1093511616.db2.gz RXCHBUDVSFWUOP-UHFFFAOYSA-N 0 0 334.286 2.625 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(Oc2ccc(C)[n+]([O-])c2)cc1C ZINC001650951195 1093512577 /nfs/dbraw/zinc/51/25/77/1093512577.db2.gz YGIIKUZSIUJFAS-UHFFFAOYSA-N 0 0 332.312 2.814 10 5 EFBERN Nc1nccc(C(=O)Nc2cc(-c3ccccc3F)on2)c1[N+](=O)[O-] ZINC001650971668 1093514120 /nfs/dbraw/zinc/51/41/20/1093514120.db2.gz NIKHHCATWRDBHA-UHFFFAOYSA-N 0 0 343.274 2.618 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001651012395 1093518453 /nfs/dbraw/zinc/51/84/53/1093518453.db2.gz LYFMNMGFYCCZNX-UHFFFAOYSA-N 0 0 333.294 2.654 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c(Cl)n1 ZINC001651054847 1093522636 /nfs/dbraw/zinc/52/26/36/1093522636.db2.gz DHJSEVQCTSARBX-UHFFFAOYSA-N 0 0 338.726 2.603 10 5 EFBERN NC(=O)c1cc(NCc2cccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC001651078286 1093523269 /nfs/dbraw/zinc/52/32/69/1093523269.db2.gz YJDSTQBLCQUQBB-UHFFFAOYSA-N 0 0 340.261 2.720 10 5 EFBERN C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC12CCCCC2 ZINC001651080079 1093524108 /nfs/dbraw/zinc/52/41/08/1093524108.db2.gz XVLYYGQSYRHQSF-UHFFFAOYSA-N 0 0 334.376 2.958 10 5 EFBERN Cc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc(O)c1C ZINC001651084015 1093524874 /nfs/dbraw/zinc/52/48/74/1093524874.db2.gz SLIRORRXBDLBLH-UHFFFAOYSA-N 0 0 330.296 2.898 10 5 EFBERN CC1(C)OCC(C)(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CO1 ZINC001651109402 1093528068 /nfs/dbraw/zinc/52/80/68/1093528068.db2.gz NXTCDEQDWDECJH-UHFFFAOYSA-N 0 0 345.355 2.871 10 5 EFBERN Cn1cnc(CCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])c1 ZINC001651128537 1093530014 /nfs/dbraw/zinc/53/00/14/1093530014.db2.gz HFLUVNLGFOHDHH-UHFFFAOYSA-N 0 0 331.763 2.606 10 5 EFBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC001651125708 1093530134 /nfs/dbraw/zinc/53/01/34/1093530134.db2.gz CUMBQXMRIFQELD-GFCCVEGCSA-N 0 0 331.347 2.893 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1cnc(Cl)cn1 ZINC001651125926 1093530302 /nfs/dbraw/zinc/53/03/02/1093530302.db2.gz JSJLSUAWBMLPNA-UHFFFAOYSA-N 0 0 347.762 2.543 10 5 EFBERN COc1cccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2(C)C)c1 ZINC001651130714 1093530315 /nfs/dbraw/zinc/53/03/15/1093530315.db2.gz XIILGJSHDBCHFW-ZDUSSCGKSA-N 0 0 344.371 2.735 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NC[C@H](CO)c3ccc(F)cc3)c2c1 ZINC001651146726 1093531094 /nfs/dbraw/zinc/53/10/94/1093531094.db2.gz IAKXRDYFGIQWBR-GFCCVEGCSA-N 0 0 342.330 2.865 10 5 EFBERN Cc1cc(C)n(-c2ccc(Oc3ncc([N+](=O)[O-])c(N)n3)cc2)n1 ZINC001651147161 1093531751 /nfs/dbraw/zinc/53/17/51/1093531751.db2.gz MWQWCLQBXHWAHL-UHFFFAOYSA-N 0 0 326.316 2.562 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N[C@@H]1CCc2nnnn2CC1 ZINC001651155356 1093532969 /nfs/dbraw/zinc/53/29/69/1093532969.db2.gz GECICJQATGLNBF-SSDOTTSWSA-N 0 0 343.174 2.705 10 5 EFBERN CN(CCCN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC001651169018 1093535462 /nfs/dbraw/zinc/53/54/62/1093535462.db2.gz PSVUAWCVXUMYRY-UHFFFAOYSA-N 0 0 339.351 2.717 10 5 EFBERN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC001651187277 1093536864 /nfs/dbraw/zinc/53/68/64/1093536864.db2.gz RMBFOGFMJQSEOT-MNOVXSKESA-N 0 0 330.344 2.771 10 5 EFBERN CC[C@H](C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC ZINC001651182764 1093536962 /nfs/dbraw/zinc/53/69/62/1093536962.db2.gz VDLUAWNRZDHCMI-JOYOIKCWSA-N 0 0 325.321 2.893 10 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/nfs/dbraw/zinc/38/60/35/1094386035.db2.gz OJXLYMGESUQDSD-TVQRCGJNSA-N 0 0 342.779 2.956 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC001125721000 1094401949 /nfs/dbraw/zinc/40/19/49/1094401949.db2.gz IFZVQLVYIIOXOF-UHFFFAOYSA-N 0 0 341.323 2.909 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001594485327 1094428099 /nfs/dbraw/zinc/42/80/99/1094428099.db2.gz CHIFXVIZKADGAF-MRXNPFEDSA-N 0 0 348.786 2.511 10 5 EFBERN C[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001594587497 1094431907 /nfs/dbraw/zinc/43/19/07/1094431907.db2.gz YPNDJQORCNWMSB-IAQYHMDHSA-N 0 0 339.351 2.647 10 5 EFBERN COC[C@@H](C)Oc1ccc(COC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC001595426540 1094468695 /nfs/dbraw/zinc/46/86/95/1094468695.db2.gz PFNRGQSNMMDNNM-CYBMUJFWSA-N 0 0 339.388 2.979 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cncc(F)c1 ZINC001595453725 1094469421 /nfs/dbraw/zinc/46/94/21/1094469421.db2.gz CZVYNVSDIQXXGR-UHFFFAOYSA-N 0 0 332.335 2.637 10 5 EFBERN CN1Cc2ccccc2[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001595478827 1094473044 /nfs/dbraw/zinc/47/30/44/1094473044.db2.gz JGIMUZSPAHRPGO-MRXNPFEDSA-N 0 0 347.321 2.790 10 5 EFBERN COc1ccc(F)c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1OC ZINC001595509163 1094474169 /nfs/dbraw/zinc/47/41/69/1094474169.db2.gz QBEYTEPXGONRRX-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN C[C@@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001595525009 1094475106 /nfs/dbraw/zinc/47/51/06/1094475106.db2.gz OJZFNQLZALQIPD-SECBINFHSA-N 0 0 326.312 2.668 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ncn(C(C)(C)C)n1 ZINC001595543336 1094476428 /nfs/dbraw/zinc/47/64/28/1094476428.db2.gz HSWIDFUNAQDUTC-UHFFFAOYSA-N 0 0 332.360 2.915 10 5 EFBERN Cc1cc(CN(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)no1 ZINC001595583192 1094477952 /nfs/dbraw/zinc/47/79/52/1094477952.db2.gz UOGAUUJYIFLZTI-UHFFFAOYSA-N 0 0 342.714 2.538 10 5 EFBERN COC(=O)c1coc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001595610959 1094480411 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2.584 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(-c2nnco2)cc1 ZINC001595774566 1094492394 /nfs/dbraw/zinc/49/23/94/1094492394.db2.gz CTAPBINJWJBPFB-UHFFFAOYSA-N 0 0 342.286 2.965 10 5 EFBERN Cc1c(C(=O)N[C@H](C)CC2CCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001595779662 1094493101 /nfs/dbraw/zinc/49/31/01/1094493101.db2.gz QNYSALIGPUFHGI-LLVKDONJSA-N 0 0 343.387 2.792 10 5 EFBERN COc1ccccc1-c1ccnc(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC001595795681 1094495409 /nfs/dbraw/zinc/49/54/09/1094495409.db2.gz LSOBHOJUTTYIGB-UHFFFAOYSA-N 0 0 344.371 2.926 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccnc(Oc2ccccc2)c1 ZINC001595858922 1094499793 /nfs/dbraw/zinc/49/97/93/1094499793.db2.gz OSFAHHIBANFREE-UHFFFAOYSA-N 0 0 325.284 2.758 10 5 EFBERN CC[C@@H](C)Oc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])n1 ZINC001595887106 1094502469 /nfs/dbraw/zinc/50/24/69/1094502469.db2.gz LFQWPFIKWYIHAE-SNVBAGLBSA-N 0 0 333.348 2.636 10 5 EFBERN O=C(NCc1ccc[nH]c1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001596033102 1094509737 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COc1ccc(CNC(=O)[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001596970379 1094557487 /nfs/dbraw/zinc/55/74/87/1094557487.db2.gz MMUSAQONFRUUCP-NSHDSACASA-N 0 0 330.340 2.729 10 5 EFBERN COc1ccc(CNC(=O)c2cc(C)c(C=O)s2)cc1[N+](=O)[O-] ZINC001596970114 1094557743 /nfs/dbraw/zinc/55/77/43/1094557743.db2.gz HKPLSVZNNHRRJJ-UHFFFAOYSA-N 0 0 334.353 2.716 10 5 EFBERN C[C@@H](NC(=O)c1ncc2c(F)cccn21)c1ccccc1[N+](=O)[O-] ZINC001596995964 1094559085 /nfs/dbraw/zinc/55/90/85/1094559085.db2.gz VRRXIGDLDWFVMF-SNVBAGLBSA-N 0 0 328.303 2.873 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2c(Cl)ccc3cnccc32)n1 ZINC001597013691 1094559786 /nfs/dbraw/zinc/55/97/86/1094559786.db2.gz JQLOPLHZWUDRAT-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CON(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCOc2ccccc21 ZINC001597043122 1094562208 /nfs/dbraw/zinc/56/22/08/1094562208.db2.gz WJLAZANFYONMDT-ZDUSSCGKSA-N 0 0 331.328 2.840 10 5 EFBERN CC(C)OC1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC001597093115 1094564497 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EFBERN Nc1c(Cl)cc(C(=O)N[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC001597303036 1094578904 /nfs/dbraw/zinc/57/89/04/1094578904.db2.gz GKDBOZSWZGOTTG-LBPRGKRZSA-N 0 0 341.795 2.501 10 5 EFBERN Cc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)cn1 ZINC001597318259 1094579456 /nfs/dbraw/zinc/57/94/56/1094579456.db2.gz UJDKKMGJQLJZSD-UHFFFAOYSA-N 0 0 340.383 2.900 10 5 EFBERN C/C(=C/C(=O)N[C@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000785189776 1094583159 /nfs/dbraw/zinc/58/31/59/1094583159.db2.gz HGNUWPQONDCKKR-DMIOIOJGSA-N 0 0 340.383 2.925 10 5 EFBERN Cc1csc(C[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)n1 ZINC001597381623 1094584695 /nfs/dbraw/zinc/58/46/95/1094584695.db2.gz ZJBWHZSMJURZRE-NSHDSACASA-N 0 0 346.412 2.647 10 5 EFBERN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001597447075 1094587864 /nfs/dbraw/zinc/58/78/64/1094587864.db2.gz GXIIAYVCVXMNPN-ZIAGYGMSSA-N 0 0 341.323 2.519 10 5 EFBERN Cc1c(C(=O)NCCC2CC=CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001597484467 1094590055 /nfs/dbraw/zinc/59/00/55/1094590055.db2.gz HDOXHEUSJMCGMO-UHFFFAOYSA-N 0 0 341.371 2.570 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(Cl)c(Cl)c2)n1 ZINC001597588449 1094603290 /nfs/dbraw/zinc/60/32/90/1094603290.db2.gz BOFNAAOSKYOVLD-UHFFFAOYSA-N 0 0 343.170 2.608 10 5 EFBERN COc1cn(C)nc1[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001597589353 1094605443 /nfs/dbraw/zinc/60/54/43/1094605443.db2.gz DVTPUXIBJIYGBR-VIFPVBQESA-N 0 0 344.327 2.574 10 5 EFBERN O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001597617091 1094606842 /nfs/dbraw/zinc/60/68/42/1094606842.db2.gz FRVCMPQUHYBIMK-HNNXBMFYSA-N 0 0 343.314 2.937 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1ccc(O)c(F)c1)CC2 ZINC001597626080 1094607208 /nfs/dbraw/zinc/60/72/08/1094607208.db2.gz GPIOSIRXIZXTOI-UHFFFAOYSA-N 0 0 330.315 2.880 10 5 EFBERN O=C(Nc1cncc(C(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001597629475 1094607463 /nfs/dbraw/zinc/60/74/63/1094607463.db2.gz QVERPJVCJIMXOK-UHFFFAOYSA-N 0 0 337.238 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EFBERN CNc1nc(C)cc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC001126318396 1095442564 /nfs/dbraw/zinc/44/25/64/1095442564.db2.gz OAXLMEDKDIOTSI-UHFFFAOYSA-N 0 0 335.751 2.949 10 5 EFBERN CN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC001125812695 1095523690 /nfs/dbraw/zinc/52/36/90/1095523690.db2.gz QQTBYCGNLSESOT-UHFFFAOYSA-N 0 0 329.331 2.759 10 5 EFBERN C/C(=C\C(=O)NCCCn1ccnc1C)c1ccc([N+](=O)[O-])cc1 ZINC000785376305 1095556594 /nfs/dbraw/zinc/55/65/94/1095556594.db2.gz PYXNHFRLEBEEMY-OUKQBFOZSA-N 0 0 328.372 2.710 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2cc(Cl)nnc2C1 ZINC000843627619 1095990386 /nfs/dbraw/zinc/99/03/86/1095990386.db2.gz UIEHIDJSOJCIQD-UHFFFAOYSA-N 0 0 346.774 2.854 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000843629124 1096018639 /nfs/dbraw/zinc/01/86/39/1096018639.db2.gz OCQJWAOFCQSVAE-JIIJFUIFSA-N 0 0 348.424 2.733 10 5 EFBERN CC(C)SCC(=O)N(C)CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001268234262 1096148742 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CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccn1 ZINC001629385943 1100206766 /nfs/dbraw/zinc/20/67/66/1100206766.db2.gz JDZCCKHFTXGRSZ-NSHDSACASA-N 0 0 329.312 2.600 10 5 EFBERN Cc1[nH]c(C=O)cc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001629464154 1100213057 /nfs/dbraw/zinc/21/30/57/1100213057.db2.gz QVRLYHPVADFMLY-MRXNPFEDSA-N 0 0 345.380 2.932 10 5 EFBERN O=C(Cc1ccnc(F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001629464037 1100213189 /nfs/dbraw/zinc/21/31/89/1100213189.db2.gz MIYXHJAQXWPSEJ-MRXNPFEDSA-N 0 0 347.371 2.946 10 5 EFBERN C[C@H](Cc1cccs1)N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001629497281 1100215702 /nfs/dbraw/zinc/21/57/02/1100215702.db2.gz NOIIOQROUKOQMZ-ABAIWWIYSA-N 0 0 334.397 2.779 10 5 EFBERN CSCC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001629545452 1100221830 /nfs/dbraw/zinc/22/18/30/1100221830.db2.gz FLZLAYDCLBSMGO-LLVKDONJSA-N 0 0 349.412 2.780 10 5 EFBERN CC(C)(NC(=O)c1cnc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001629569416 1100223688 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COC1CCC(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001629617653 1100229570 /nfs/dbraw/zinc/22/95/70/1100229570.db2.gz WGINRJFXQQIXSQ-UHFFFAOYSA-N 0 0 327.768 2.518 10 5 EFBERN C[C@H](C[C@H](O)c1ccco1)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001629705719 1100238212 /nfs/dbraw/zinc/23/82/12/1100238212.db2.gz NPUNWSYFNUSIJP-FWYOQMDTSA-N 0 0 344.367 2.920 10 5 EFBERN O=C(c1cc2cc[nH]c(=O)c2s1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001629714958 1100239065 /nfs/dbraw/zinc/23/90/65/1100239065.db2.gz NYFNAEOCOGVGRU-UHFFFAOYSA-N 0 0 341.348 2.701 10 5 EFBERN O=C(N[C@@H](CO)c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC001629803765 1100247206 /nfs/dbraw/zinc/24/72/06/1100247206.db2.gz QZTXFTDMHCJCQN-JTQLQIEISA-N 0 0 344.154 2.693 10 5 EFBERN O=C(Nc1cccc(CCO)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001629791621 1100247357 /nfs/dbraw/zinc/24/73/57/1100247357.db2.gz YHCCRQNXYYWCMG-UHFFFAOYSA-N 0 0 337.335 2.930 10 5 EFBERN C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001629838811 1100250937 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COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001630360627 1100298346 /nfs/dbraw/zinc/29/83/46/1100298346.db2.gz FZZLNIRYRUBUNY-SECBINFHSA-N 0 0 333.319 2.816 10 5 EFBERN Cc1sc(C(N)=O)cc1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001630622872 1100322703 /nfs/dbraw/zinc/32/27/03/1100322703.db2.gz BWISUYMYPNAGFK-UHFFFAOYSA-N 0 0 339.760 2.969 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2ccnn2)CC1 ZINC001630656813 1100326681 /nfs/dbraw/zinc/32/66/81/1100326681.db2.gz WNKLBXCBZBBMRL-LBPRGKRZSA-N 0 0 347.350 2.501 10 5 EFBERN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001630792285 1100339776 /nfs/dbraw/zinc/33/97/76/1100339776.db2.gz CQXGCNMLGLEVPW-ZJUUUORDSA-N 0 0 345.330 2.983 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001630887327 1100350636 /nfs/dbraw/zinc/35/06/36/1100350636.db2.gz XZDTXKLJKBHAMY-GFCCVEGCSA-N 0 0 340.339 2.701 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)OC ZINC001630890977 1100351131 /nfs/dbraw/zinc/35/11/31/1100351131.db2.gz QNPJQOXHECESPD-MRXNPFEDSA-N 0 0 329.356 2.833 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1cc(C(=O)OC)co1 ZINC001630890483 1100351540 /nfs/dbraw/zinc/35/15/40/1100351540.db2.gz JBXMPIPIGDUEOP-XQRVVYSFSA-N 0 0 345.311 2.668 10 5 EFBERN Cc1ccc2n[nH]cc2c1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001630934928 1100355298 /nfs/dbraw/zinc/35/52/98/1100355298.db2.gz BHEUHLRSWUNDOF-UHFFFAOYSA-N 0 0 336.351 2.978 10 5 EFBERN COc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(N)c1F ZINC001630936565 1100355614 /nfs/dbraw/zinc/35/56/14/1100355614.db2.gz WESFDXARIICHLY-UHFFFAOYSA-N 0 0 345.330 2.523 10 5 EFBERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccc(F)c1F ZINC001630958040 1100356270 /nfs/dbraw/zinc/35/62/70/1100356270.db2.gz UOPLMYKOOCOGIX-RXMQYKEDSA-N 0 0 330.678 2.741 10 5 EFBERN Cc1cccc([C@H]2CCCN2C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n1 ZINC001630968173 1100357780 /nfs/dbraw/zinc/35/77/80/1100357780.db2.gz BRNMWBJAWDHXGH-SNVBAGLBSA-N 0 0 335.751 2.652 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2ccc(F)cn2)c1F ZINC001630993989 1100359257 /nfs/dbraw/zinc/35/92/57/1100359257.db2.gz JZBRRZFWYVKDLI-UHFFFAOYSA-N 0 0 325.246 2.646 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOc2cc(F)ccc2C1 ZINC001631098512 1100368967 /nfs/dbraw/zinc/36/89/67/1100368967.db2.gz UACZFHZGGVHVME-UHFFFAOYSA-N 0 0 334.278 2.908 10 5 EFBERN Nc1ccc(F)cc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001631094235 1100369409 /nfs/dbraw/zinc/36/94/09/1100369409.db2.gz MPZBTFUUAJLFMX-UHFFFAOYSA-N 0 0 325.246 2.524 10 5 EFBERN Cc1ncc(/C=C/C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC001631094215 1100369634 /nfs/dbraw/zinc/36/96/34/1100369634.db2.gz LTUNDEFPSGUUIU-NSCUHMNNSA-N 0 0 339.323 2.968 10 5 EFBERN Cc1cc(C)c(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c(=O)[nH]1 ZINC001631093776 1100369896 /nfs/dbraw/zinc/36/98/96/1100369896.db2.gz ARNLFGRQHPAHDK-UHFFFAOYSA-N 0 0 337.282 2.520 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1nccc2occc21 ZINC001631094607 1100369907 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10 5 EFBERN COc1cc(C(=O)NC[C@@H](O)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC001631461534 1100400099 /nfs/dbraw/zinc/40/00/99/1100400099.db2.gz XGQSASVZLSUDNX-OAHLLOKOSA-N 0 0 348.330 2.514 10 5 EFBERN Cc1c[nH]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2)n1 ZINC001631480119 1100402939 /nfs/dbraw/zinc/40/29/39/1100402939.db2.gz BIEBWCFUPCCMJP-UHFFFAOYSA-N 0 0 325.328 2.884 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001631510018 1100406404 /nfs/dbraw/zinc/40/64/04/1100406404.db2.gz SZKYRRIEUXHPOS-GFCCVEGCSA-N 0 0 336.351 2.922 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCc2c(O)cccc2C1 ZINC001631559815 1100410017 /nfs/dbraw/zinc/41/00/17/1100410017.db2.gz LXRBRDROFDEDFX-UHFFFAOYSA-N 0 0 330.315 2.946 10 5 EFBERN COc1cc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC001631595348 1100412408 /nfs/dbraw/zinc/41/24/08/1100412408.db2.gz QFGRHVJUNCGANN-UHFFFAOYSA-N 0 0 335.747 2.624 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1cccc(CO)c1 ZINC001631606629 1100413866 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CCS[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149321714 1100442897 /nfs/dbraw/zinc/44/28/97/1100442897.db2.gz QCLBFQUYOIEXPH-SFYZADRCSA-N 0 0 332.813 2.765 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CCc2ccccc21 ZINC001632073396 1100451082 /nfs/dbraw/zinc/45/10/82/1100451082.db2.gz IBQVNQCWLCXKIH-GFCCVEGCSA-N 0 0 325.368 2.979 10 5 EFBERN C[C@](CO)(NC(=O)c1cc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001632074176 1100451348 /nfs/dbraw/zinc/45/13/48/1100451348.db2.gz CWNSBCAGHNYDRA-GOSISDBHSA-N 0 0 339.351 2.714 10 5 EFBERN Cc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c[nH]c1=O ZINC001632099047 1100453184 /nfs/dbraw/zinc/45/31/84/1100453184.db2.gz SESPPBGEWMFFAW-UHFFFAOYSA-N 0 0 339.311 2.646 10 5 EFBERN O=C(NCC[C@@H]1CCSC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632186737 1100458780 /nfs/dbraw/zinc/45/87/80/1100458780.db2.gz DPWMETFBTINJHI-SNVBAGLBSA-N 0 0 347.396 2.722 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1cc(F)cc(F)c1 ZINC001632202855 1100459903 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343.383 2.936 10 5 EFBERN CC(C)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](O)C(F)(F)F ZINC001632753673 1100499481 /nfs/dbraw/zinc/49/94/81/1100499481.db2.gz SVPJNNHZEYEKBE-LBPRGKRZSA-N 0 0 345.277 2.508 10 5 EFBERN Cc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)CC2)cn1 ZINC001632804730 1100501786 /nfs/dbraw/zinc/50/17/86/1100501786.db2.gz MDMXEBKSVMMCKQ-UHFFFAOYSA-N 0 0 338.367 2.931 10 5 EFBERN Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)cn1 ZINC001632804191 1100501840 /nfs/dbraw/zinc/50/18/40/1100501840.db2.gz CJILWYFMBBALQS-UHFFFAOYSA-N 0 0 338.367 2.810 10 5 EFBERN CCc1c(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])cnn1CCC(C)C ZINC001632837811 1100503721 /nfs/dbraw/zinc/50/37/21/1100503721.db2.gz QBRIRZBEFWPVAU-UHFFFAOYSA-N 0 0 348.407 2.543 10 5 EFBERN CCC[C@@](C)(CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001632867229 1100504528 /nfs/dbraw/zinc/50/45/28/1100504528.db2.gz QURYPFOTAVCZOF-SFHVURJKSA-N 0 0 343.383 2.938 10 5 EFBERN CC(C)Oc1cc(F)ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 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EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ncccc1C ZINC001633565197 1100550893 /nfs/dbraw/zinc/55/08/93/1100550893.db2.gz RSGGEFBYDURXLX-LBPRGKRZSA-N 0 0 344.371 2.867 10 5 EFBERN CCNC(=O)c1ccc(OC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001633637746 1100555801 /nfs/dbraw/zinc/55/58/01/1100555801.db2.gz OLKQHHYMQHKCBV-UHFFFAOYSA-N 0 0 346.314 2.632 10 5 EFBERN CN1CCOc2cc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])ccc21 ZINC001633661595 1100557388 /nfs/dbraw/zinc/55/73/88/1100557388.db2.gz UECAPJDIYFTGNY-UHFFFAOYSA-N 0 0 345.330 2.744 10 5 EFBERN CCn1ncc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1C ZINC001633728142 1100561365 /nfs/dbraw/zinc/56/13/65/1100561365.db2.gz COFDCLTXNUVZDZ-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN Cc1cc(C(=O)NC[Si](C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001633739151 1100562419 /nfs/dbraw/zinc/56/24/19/1100562419.db2.gz NFGKOQYJMZPSMS-UHFFFAOYSA-N 0 0 328.444 2.788 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001633787772 1100565196 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EFBERN CCc1onc(C)c1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001634224530 1100591977 /nfs/dbraw/zinc/59/19/77/1100591977.db2.gz JIARXMWNODQFIL-UHFFFAOYSA-N 0 0 332.360 2.761 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1nc2cnccc2s1 ZINC001634364133 1100603816 /nfs/dbraw/zinc/60/38/16/1100603816.db2.gz NEGVKXVSGDDYEC-UTCJRWHESA-N 0 0 340.364 2.929 10 5 EFBERN Cc1ccc(F)c(Br)c1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001634604160 1100618052 /nfs/dbraw/zinc/61/80/52/1100618052.db2.gz MEBNHNLJAKOVBX-UHFFFAOYSA-N 0 0 343.112 2.780 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccccc1OCc1cscn1 ZINC001634599756 1100618278 /nfs/dbraw/zinc/61/82/78/1100618278.db2.gz QHIYUPBJRQECLF-UHFFFAOYSA-N 0 0 345.340 2.606 10 5 EFBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Oc1cccc(F)c1 ZINC001634614455 1100618657 /nfs/dbraw/zinc/61/86/57/1100618657.db2.gz URLDTLUEGJGOIZ-JTQLQIEISA-N 0 0 333.319 2.513 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001634633833 1100620301 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2.801 10 5 EFBERN Cn1c(=O)[nH]c2ccc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])cc21 ZINC001634785300 1100629582 /nfs/dbraw/zinc/62/95/82/1100629582.db2.gz MNOTWORPSQYYTN-UHFFFAOYSA-N 0 0 344.302 2.507 10 5 EFBERN CNc1ccc(C(=O)NN2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC001634825400 1100631718 /nfs/dbraw/zinc/63/17/18/1100631718.db2.gz GCDGJADPFWXGDH-UHFFFAOYSA-N 0 0 326.356 2.734 10 5 EFBERN CC1([NH+]2CCCC2)CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001635038119 1100641020 /nfs/dbraw/zinc/64/10/20/1100641020.db2.gz YGWARYDCBBIVED-UHFFFAOYSA-N 0 0 347.415 2.827 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCOc2cccc(F)c2C1 ZINC001635038678 1100641299 /nfs/dbraw/zinc/64/12/99/1100641299.db2.gz KJHYCGGINFSBTN-UHFFFAOYSA-N 0 0 348.305 2.837 10 5 EFBERN CC(=O)c1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC001635102907 1100643438 /nfs/dbraw/zinc/64/34/38/1100643438.db2.gz LATDILDKTWSKQZ-OAHLLOKOSA-N 0 0 332.287 2.609 10 5 EFBERN CC(C)(C)CC[C@H](CO)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001635088444 1100643506 /nfs/dbraw/zinc/64/35/06/1100643506.db2.gz DTZSCVZNULSAIM-GFCCVEGCSA-N 0 0 344.358 2.990 10 5 EFBERN CC1(C)CC[C@@H](CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)OC1 ZINC001635282000 1100653240 /nfs/dbraw/zinc/65/32/40/1100653240.db2.gz GBQPUZXCROWVEH-LBPRGKRZSA-N 0 0 346.387 2.683 10 5 EFBERN Cc1ncoc1-c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001635289040 1100653264 /nfs/dbraw/zinc/65/32/64/1100653264.db2.gz XEYFQJCUVGKNQE-UHFFFAOYSA-N 0 0 340.295 2.911 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C)c(C)[nH]1 ZINC001635375798 1100657711 /nfs/dbraw/zinc/65/77/11/1100657711.db2.gz PPZOEAQYSIYAHB-AWEZNQCLSA-N 0 0 330.388 2.820 10 5 EFBERN COc1ccc(C(=O)CNC(=O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001635395878 1100660471 /nfs/dbraw/zinc/66/04/71/1100660471.db2.gz AKJNCVBUHNVRRQ-LBPRGKRZSA-N 0 0 342.351 2.706 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)n1 ZINC001635482722 1100664137 /nfs/dbraw/zinc/66/41/37/1100664137.db2.gz NUXJJOWSDALRPW-IPALMDDQSA-N 0 0 347.415 2.700 10 5 EFBERN Cc1c(C(=O)NCCc2ccccc2[N+](=O)[O-])[nH]nc1C(F)(F)F ZINC001635567947 1100668066 /nfs/dbraw/zinc/66/80/66/1100668066.db2.gz FSYKBECNCJBSRE-UHFFFAOYSA-N 0 0 342.277 2.618 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2cccnc2)n1 ZINC001635602846 1100670054 /nfs/dbraw/zinc/67/00/54/1100670054.db2.gz ZVLCTRKDOLBKHZ-UHFFFAOYSA-N 0 0 335.323 2.886 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3[nH]ccc3c2C)c1 ZINC001635616015 1100670752 /nfs/dbraw/zinc/67/07/52/1100670752.db2.gz LWSFVQSKEWELGQ-UHFFFAOYSA-N 0 0 326.312 2.992 10 5 EFBERN C[C@H]1[C@@H](O)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001635627846 1100671486 /nfs/dbraw/zinc/67/14/86/1100671486.db2.gz ABEGZDGHOLAHLM-SJCJKPOMSA-N 0 0 341.367 2.934 10 5 EFBERN Cc1cc(-n2cccn2)ccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001635736579 1100676236 /nfs/dbraw/zinc/67/62/36/1100676236.db2.gz IWWZNUSSCMVKSS-UHFFFAOYSA-N 0 0 346.734 2.718 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC001635882536 1100685887 /nfs/dbraw/zinc/68/58/87/1100685887.db2.gz REHUDWHOXGBBGW-ZDUSSCGKSA-N 0 0 330.319 2.519 10 5 EFBERN O=C(N[C@@H](CCO)C1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001635950313 1100689434 /nfs/dbraw/zinc/68/94/34/1100689434.db2.gz HSIMQSZSODIVNW-ZDUSSCGKSA-N 0 0 331.372 2.747 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc2ccc(F)cc12 ZINC001635949152 1100689575 /nfs/dbraw/zinc/68/95/75/1100689575.db2.gz RTGPVDBNHZHSNF-UHFFFAOYSA-N 0 0 344.302 2.847 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001635963893 1100690225 /nfs/dbraw/zinc/69/02/25/1100690225.db2.gz FJDADBATYQIZFQ-LLVKDONJSA-N 0 0 349.778 2.688 10 5 EFBERN O=Cc1ccc(OCC(=O)Nc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC001635984281 1100691161 /nfs/dbraw/zinc/69/11/61/1100691161.db2.gz JVGPZHGFHXVTCT-UHFFFAOYSA-N 0 0 339.307 2.906 10 5 EFBERN CNc1nccc(C(=O)N2CCC[C@@H]2c2cncc(C)c2)c1[N+](=O)[O-] ZINC001636069185 1100698973 /nfs/dbraw/zinc/69/89/73/1100698973.db2.gz LZXSDYJCVVCHCI-CQSZACIVSA-N 0 0 341.371 2.712 10 5 EFBERN Cc1ccncc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001636130386 1100701546 /nfs/dbraw/zinc/70/15/46/1100701546.db2.gz RODGIIMGGMUCNX-UHFFFAOYSA-N 0 0 337.738 2.950 10 5 EFBERN O=C(NC[C@@H](CCO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC001636138111 1100702328 /nfs/dbraw/zinc/70/23/28/1100702328.db2.gz LBQQKOIUFWFPNO-CYBMUJFWSA-N 0 0 332.331 2.630 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1[nH][nH]c2cc(=O)ccc1-2 ZINC001636187451 1100705493 /nfs/dbraw/zinc/70/54/93/1100705493.db2.gz VNMQNMMBWCNNQM-UHFFFAOYSA-N 0 0 344.302 2.887 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccccc1OCCF ZINC001636198875 1100706387 /nfs/dbraw/zinc/70/63/87/1100706387.db2.gz DOAPKZXFRALNMN-UHFFFAOYSA-N 0 0 333.319 2.994 10 5 EFBERN Nc1nc(Cl)ccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001636245901 1100709097 /nfs/dbraw/zinc/70/90/97/1100709097.db2.gz BNMAGMMZGXKPOZ-UHFFFAOYSA-N 0 0 341.154 2.809 10 5 EFBERN CC(C)(NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](O)C(F)(F)F ZINC001636267850 1100710580 /nfs/dbraw/zinc/71/05/80/1100710580.db2.gz WSEIYWKEEHXWSS-GFCCVEGCSA-N 0 0 345.277 2.508 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(c2ccc(F)cc2)C1 ZINC001636327257 1100713446 /nfs/dbraw/zinc/71/34/46/1100713446.db2.gz PEWKBSIKHFTXPX-UHFFFAOYSA-N 0 0 330.315 2.982 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC(c2ccc(F)cc2)C1 ZINC001636327289 1100713543 /nfs/dbraw/zinc/71/35/43/1100713543.db2.gz QPCNRTLIJNVUIN-UHFFFAOYSA-N 0 0 330.315 2.739 10 5 EFBERN Cc1cc(-c2ncco2)ccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001636431445 1100718684 /nfs/dbraw/zinc/71/86/84/1100718684.db2.gz YLAUVAPJZFVNDV-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN O=C(N[C@@H]1CCCn2nccc21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001636440890 1100719199 /nfs/dbraw/zinc/71/91/99/1100719199.db2.gz KPTBGORKCSRDBB-LLVKDONJSA-N 0 0 325.328 2.538 10 5 EFBERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001636482332 1100720926 /nfs/dbraw/zinc/72/09/26/1100720926.db2.gz JNYDLTBABGLUFG-CQSZACIVSA-N 0 0 329.360 2.615 10 5 EFBERN CC[C@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001636485392 1100721673 /nfs/dbraw/zinc/72/16/73/1100721673.db2.gz IPWXNDLNHHWICK-HNNXBMFYSA-N 0 0 342.351 2.995 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2cccc3c(=O)[nH]ccc23)c1[N+](=O)[O-] ZINC001636554820 1100726433 /nfs/dbraw/zinc/72/64/33/1100726433.db2.gz HYEKOJYVTCVTMJ-UHFFFAOYSA-N 0 0 341.327 2.777 10 5 EFBERN Nc1c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)cccc1[N+](=O)[O-] ZINC001636614133 1100730040 /nfs/dbraw/zinc/73/00/40/1100730040.db2.gz VFSHOTCQJQLUKN-BBRMVZONSA-N 0 0 329.331 2.932 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC001636678270 1100732618 /nfs/dbraw/zinc/73/26/18/1100732618.db2.gz HTQPNHYELIACBB-LBPRGKRZSA-N 0 0 327.340 2.933 10 5 EFBERN Cc1ccc(NC(=O)c2cc3nccnc3cc2F)c(N)c1[N+](=O)[O-] ZINC001636723761 1100734131 /nfs/dbraw/zinc/73/41/31/1100734131.db2.gz ABEBRZCPMFGADD-UHFFFAOYSA-N 0 0 341.302 2.820 10 5 EFBERN CC(=O)c1ccc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001636724284 1100734262 /nfs/dbraw/zinc/73/42/62/1100734262.db2.gz VJJAIOAOHWJQJC-UHFFFAOYSA-N 0 0 327.340 2.869 10 5 EFBERN Cc1ccc(NC(=O)c2ccc3c(c2)ncn3C)c(N)c1[N+](=O)[O-] ZINC001636724489 1100734292 /nfs/dbraw/zinc/73/42/92/1100734292.db2.gz ZZJXXVWSUMOYMK-UHFFFAOYSA-N 0 0 325.328 2.624 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(-c3cnn(C)c3)o2)c(N)c1[N+](=O)[O-] ZINC001636728860 1100735100 /nfs/dbraw/zinc/73/51/00/1100735100.db2.gz DOOODHPDSBISQC-UHFFFAOYSA-N 0 0 341.327 2.731 10 5 EFBERN COc1cc(C(=O)NC/C=C\c2cccnc2)c([N+](=O)[O-])cc1F ZINC001636797598 1100738344 /nfs/dbraw/zinc/73/83/44/1100738344.db2.gz AFDKRXAVITUYQD-HYXAFXHYSA-N 0 0 331.303 2.581 10 5 EFBERN COc1cc(C(=O)NC/C=C/c2cccnc2)c([N+](=O)[O-])cc1F ZINC001636797597 1100738916 /nfs/dbraw/zinc/73/89/16/1100738916.db2.gz AFDKRXAVITUYQD-HWKANZROSA-N 0 0 331.303 2.581 10 5 EFBERN Cc1cc(C(=O)NC2CC3(C2)COC(C)(C)C3)c(N)c([N+](=O)[O-])c1 ZINC001636850229 1100741866 /nfs/dbraw/zinc/74/18/66/1100741866.db2.gz UDSZMMAZWBOLJN-UHFFFAOYSA-N 0 0 333.388 2.563 10 5 EFBERN COc1cccc2c1OCCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001636965444 1100747390 /nfs/dbraw/zinc/74/73/90/1100747390.db2.gz LLZLJSHIOLNZMV-LBPRGKRZSA-N 0 0 331.328 2.575 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](c1ccncc1)C1CC1 ZINC001636971230 1100747601 /nfs/dbraw/zinc/74/76/01/1100747601.db2.gz OTCRKCWCSNZIJP-HNNXBMFYSA-N 0 0 330.319 2.592 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CN1Cc2ccccc2C1=O ZINC001637069560 1100755556 /nfs/dbraw/zinc/75/55/56/1100755556.db2.gz WVOGBUHDIIHGTB-UHFFFAOYSA-N 0 0 339.351 2.806 10 5 EFBERN CCc1c[nH]c(CC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)n1 ZINC001637098653 1100757068 /nfs/dbraw/zinc/75/70/68/1100757068.db2.gz DYTRZYCRRGHWEV-UHFFFAOYSA-N 0 0 331.376 2.882 10 5 EFBERN CCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)n(C)n1 ZINC001637103010 1100757830 /nfs/dbraw/zinc/75/78/30/1100757830.db2.gz ULCRVCJCGAUMHO-UHFFFAOYSA-N 0 0 331.376 2.963 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(F)c(C)c1N ZINC001637126619 1100758844 /nfs/dbraw/zinc/75/88/44/1100758844.db2.gz FZNQHGHDFBXCSB-UHFFFAOYSA-N 0 0 333.319 2.563 10 5 EFBERN CNc1c(C(=O)N[C@H](CCOC)c2cccnc2)cccc1[N+](=O)[O-] ZINC001637141850 1100760620 /nfs/dbraw/zinc/76/06/20/1100760620.db2.gz HAOBRULQGFGIBB-CQSZACIVSA-N 0 0 344.371 2.539 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC2(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC001637211895 1100765154 /nfs/dbraw/zinc/76/51/54/1100765154.db2.gz AIQCMOQMGQJMOD-UHFFFAOYSA-N 0 0 346.774 2.687 10 5 EFBERN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])c[nH]1)CC2 ZINC001637334542 1100772817 /nfs/dbraw/zinc/77/28/17/1100772817.db2.gz SDHPVDWVFJYCKM-SNVBAGLBSA-N 0 0 345.355 2.700 10 5 EFBERN COc1cccc2c1CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2 ZINC001637340274 1100772913 /nfs/dbraw/zinc/77/29/13/1100772913.db2.gz GSIFQVGIRRGGDO-GFCCVEGCSA-N 0 0 329.356 2.609 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NOCCOc2ccccc2)c1C ZINC001637344598 1100774219 /nfs/dbraw/zinc/77/42/19/1100774219.db2.gz CLALUQAVQFEEOG-UHFFFAOYSA-N 0 0 330.340 2.952 10 5 EFBERN COc1cc(C(=O)N[C@H](C)c2ncccc2C)c([N+](=O)[O-])cc1OC ZINC001637364518 1100776525 /nfs/dbraw/zinc/77/65/25/1100776525.db2.gz REYUDFUKCFVGFK-LLVKDONJSA-N 0 0 345.355 2.806 10 5 EFBERN COc1c(C(=O)N[C@@H]2CC(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC001637419866 1100781087 /nfs/dbraw/zinc/78/10/87/1100781087.db2.gz SRGPISVIPWQSSP-CYBMUJFWSA-N 0 0 326.308 2.661 10 5 EFBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@H]1C1CCCC1 ZINC001637449487 1100783340 /nfs/dbraw/zinc/78/33/40/1100783340.db2.gz ZHCVDDHSGKGAED-AWEZNQCLSA-N 0 0 341.371 2.580 10 5 EFBERN Cc1cc(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc([N+](=O)[O-])c1 ZINC001637524744 1100788260 /nfs/dbraw/zinc/78/82/60/1100788260.db2.gz GGJYTHXMOYGUIK-UHFFFAOYSA-N 0 0 342.355 2.720 10 5 EFBERN CCOC1CC2(C[C@H]2NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001637619460 1100794607 /nfs/dbraw/zinc/79/46/07/1100794607.db2.gz RIHFOSIOKNWNMC-OFWKBQFLSA-N 0 0 338.791 2.865 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C(C)C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC001637702295 1100801033 /nfs/dbraw/zinc/80/10/33/1100801033.db2.gz UAPWILPRWVPSIZ-INIZCTEOSA-N 0 0 349.431 2.890 10 5 EFBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001637839384 1100809531 /nfs/dbraw/zinc/80/95/31/1100809531.db2.gz ACGINXSSXWPFKZ-JTQLQIEISA-N 0 0 346.362 2.873 10 5 EFBERN Nc1c(C(=O)N2CCC[C@@H](CO)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001637882901 1100814216 /nfs/dbraw/zinc/81/42/16/1100814216.db2.gz XYAUQACOPOBNPV-GFCCVEGCSA-N 0 0 343.383 2.565 10 5 EFBERN Cc1nc(C)c(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC001637907027 1100816427 /nfs/dbraw/zinc/81/64/27/1100816427.db2.gz QZGBUROJCRZWCO-UHFFFAOYSA-N 0 0 331.357 2.726 10 5 EFBERN C[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001637925819 1100817987 /nfs/dbraw/zinc/81/79/87/1100817987.db2.gz JWGDDSGSIBTGKU-QWHCGFSZSA-N 0 0 347.415 2.857 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001638001435 1100825076 /nfs/dbraw/zinc/82/50/76/1100825076.db2.gz OBXPDDWRTKCDSV-LAQFHYBYSA-N 0 0 342.399 2.956 10 5 EFBERN C[C@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC001638001510 1100825245 /nfs/dbraw/zinc/82/52/45/1100825245.db2.gz QEAOMLQWYRUULZ-MRVPVSSYSA-N 0 0 344.293 2.718 10 5 EFBERN Cc1ccoc1CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001638008554 1100825566 /nfs/dbraw/zinc/82/55/66/1100825566.db2.gz OJQXSTLAZAINIS-UHFFFAOYSA-N 0 0 342.355 2.664 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC2(CC2)C1 ZINC001638007398 1100825989 /nfs/dbraw/zinc/82/59/89/1100825989.db2.gz BXNFWDYLGJDNLI-UHFFFAOYSA-N 0 0 328.372 2.710 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001638009339 1100826325 /nfs/dbraw/zinc/82/63/25/1100826325.db2.gz UJZQTJXGEWBPHI-IACUBPJLSA-N 0 0 342.399 2.956 10 5 EFBERN O=C(Nc1nnc(C2CCC2)[nH]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001638081319 1100832124 /nfs/dbraw/zinc/83/21/24/1100832124.db2.gz MVHFUTSICWEUMY-OLZOCXBDSA-N 0 0 327.344 2.723 10 5 EFBERN Cn1c(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])nc2cccnc21 ZINC001638149975 1100837774 /nfs/dbraw/zinc/83/77/74/1100837774.db2.gz AKIFMAHXTLFHBE-UHFFFAOYSA-N 0 0 343.318 2.587 10 5 EFBERN O=C(NCC1(c2ccc(F)cc2)CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141778764 1100838049 /nfs/dbraw/zinc/83/80/49/1100838049.db2.gz JAFKWTQWEZVWDM-UHFFFAOYSA-N 0 0 338.726 2.572 10 5 EFBERN O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001638153269 1100837948 /nfs/dbraw/zinc/83/79/48/1100837948.db2.gz XUBFYAXALVKNHV-UHFFFAOYSA-N 0 0 337.295 2.910 10 5 EFBERN CNc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)c(C)[nH]2)cc1[N+](=O)[O-] ZINC001638206586 1100841330 /nfs/dbraw/zinc/84/13/30/1100841330.db2.gz BCYLCWUFKCSALN-CQSZACIVSA-N 0 0 343.387 2.954 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2[nH]cnc2c1 ZINC001638269492 1100846108 /nfs/dbraw/zinc/84/61/08/1100846108.db2.gz ZEHOUOUUWAFCSJ-UHFFFAOYSA-N 0 0 327.300 2.517 10 5 EFBERN Nc1ccc(NC(=O)C[C@@H]2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC001638385541 1100854444 /nfs/dbraw/zinc/85/44/44/1100854444.db2.gz DNHZKWQXZMAWLS-SNVBAGLBSA-N 0 0 340.339 2.632 10 5 EFBERN Cc1cc(C(F)(F)F)nc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001638381695 1100854521 /nfs/dbraw/zinc/85/45/21/1100854521.db2.gz QITDDBRBMLZWNB-UHFFFAOYSA-N 0 0 341.249 2.547 10 5 EFBERN CSc1c(F)cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1F ZINC001638435527 1100859453 /nfs/dbraw/zinc/85/94/53/1100859453.db2.gz KOKCSOYIEOVWRH-UHFFFAOYSA-N 0 0 340.311 2.824 10 5 EFBERN Cn1cnc2cc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 ZINC001638442246 1100860299 /nfs/dbraw/zinc/86/02/99/1100860299.db2.gz UYFYMBFFDMQICR-UHFFFAOYSA-N 0 0 349.350 2.893 10 5 EFBERN CN(C[C@@](C)(O)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001638538913 1100867071 /nfs/dbraw/zinc/86/70/71/1100867071.db2.gz UNPNMBOMSDCKJJ-QGZVFWFLSA-N 0 0 332.331 2.714 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001638558258 1100868931 /nfs/dbraw/zinc/86/89/31/1100868931.db2.gz HQYDIIJYFQHWSK-AMFBXLIHSA-N 0 0 328.372 2.916 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001638557524 1100869114 /nfs/dbraw/zinc/86/91/14/1100869114.db2.gz BJCAEFXLXBHXPS-QMMMGPOBSA-N 0 0 349.366 2.631 10 5 EFBERN C[C@@H](CNC(=O)NCC1(C2(O)CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001638707452 1100879846 /nfs/dbraw/zinc/87/98/46/1100879846.db2.gz KHYAPKLDSNQKIF-ZDUSSCGKSA-N 0 0 347.415 2.693 10 5 EFBERN C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001638741540 1100883530 /nfs/dbraw/zinc/88/35/30/1100883530.db2.gz MYTDVHOIFPEHJJ-LKFCYVNXSA-N 0 0 335.747 2.554 10 5 EFBERN CCSc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC001638777021 1100886149 /nfs/dbraw/zinc/88/61/49/1100886149.db2.gz HXCIQNGDYFGSMB-UHFFFAOYSA-N 0 0 333.369 2.737 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCCC12OCCO2 ZINC001638852273 1100891627 /nfs/dbraw/zinc/89/16/27/1100891627.db2.gz UYTJEXYMYHKGHV-CYBMUJFWSA-N 0 0 343.339 2.625 10 5 EFBERN COc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n(C)n1 ZINC001638866891 1100893536 /nfs/dbraw/zinc/89/35/36/1100893536.db2.gz RLYUIEFDHYXWLB-UHFFFAOYSA-N 0 0 348.362 2.676 10 5 EFBERN O=C(Nc1cn[nH]n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001638893927 1100895792 /nfs/dbraw/zinc/89/57/92/1100895792.db2.gz GDQQBWAXUOYAFJ-UHFFFAOYSA-N 0 0 338.327 2.577 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC001638893293 1100896634 /nfs/dbraw/zinc/89/66/34/1100896634.db2.gz VYGDEJSMSFKVOD-UHFFFAOYSA-N 0 0 328.328 2.847 10 5 EFBERN CCC[C@@H](C)c1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n[nH]1 ZINC001639037065 1100905804 /nfs/dbraw/zinc/90/58/04/1100905804.db2.gz FFRUGKRXTIMTIQ-ZCFIWIBFSA-N 0 0 326.744 2.850 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc2nccnc21 ZINC001639087416 1100911151 /nfs/dbraw/zinc/91/11/51/1100911151.db2.gz CBVFCPLKFRZRAX-UHFFFAOYSA-N 0 0 344.277 2.746 10 5 EFBERN Cc1c(N)c(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)ccc1F ZINC001639087969 1100912068 /nfs/dbraw/zinc/91/20/68/1100912068.db2.gz PLAUMBFVSTUFCS-UHFFFAOYSA-N 0 0 339.273 2.833 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC001639123514 1100914645 /nfs/dbraw/zinc/91/46/45/1100914645.db2.gz HHINMGDMLNRILC-AWEZNQCLSA-N 0 0 348.334 2.880 10 5 EFBERN CC(C)Oc1cc(C(=O)N(C)Cc2cccc(=O)[nH]2)ccc1[N+](=O)[O-] ZINC001639195738 1100923774 /nfs/dbraw/zinc/92/37/74/1100923774.db2.gz MSMGOBVNVHXKOA-UHFFFAOYSA-N 0 0 345.355 2.755 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@H](CO)Cc2ccco2)ccc2cnccc21 ZINC001639235763 1100928480 /nfs/dbraw/zinc/92/84/80/1100928480.db2.gz NXIAYKLLYRNHOL-LBPRGKRZSA-N 0 0 327.340 2.999 10 5 EFBERN O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2cnccn2)C1 ZINC001639251470 1100929366 /nfs/dbraw/zinc/92/93/66/1100929366.db2.gz NJQGLXICCABJLI-VNQPRFMTSA-N 0 0 338.367 2.504 10 5 EFBERN COC(=O)CCCCCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001639275898 1100932863 /nfs/dbraw/zinc/93/28/63/1100932863.db2.gz GXALYEOJEXQHME-UHFFFAOYSA-N 0 0 328.340 2.762 10 5 EFBERN NC(=O)CC1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001639290235 1100935007 /nfs/dbraw/zinc/93/50/07/1100935007.db2.gz NTUOMMIOJPZDQZ-UHFFFAOYSA-N 0 0 348.790 2.888 10 5 EFBERN CO[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001639316103 1100937257 /nfs/dbraw/zinc/93/72/57/1100937257.db2.gz DWYDMRPSNJQUGZ-PWSUYJOCSA-N 0 0 326.780 2.817 10 5 EFBERN Cc1nc2nc(Sc3ncc([N+](=O)[O-])cc3F)nn2c(C)c1C ZINC001639315334 1100937652 /nfs/dbraw/zinc/93/76/52/1100937652.db2.gz RANLELNYLJLIIH-UHFFFAOYSA-N 0 0 334.336 2.643 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCSC(C)(C)C2)c1[N+](=O)[O-] ZINC001639391753 1100944122 /nfs/dbraw/zinc/94/41/22/1100944122.db2.gz ZDDBKKZBTYLPKS-SECBINFHSA-N 0 0 326.422 2.674 10 5 EFBERN COC(OC)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC001639421802 1100946616 /nfs/dbraw/zinc/94/66/16/1100946616.db2.gz ZZZADPSCVPNPLR-HNNXBMFYSA-N 0 0 348.330 2.824 10 5 EFBERN CNc1c(C(=O)N[C@H](C)c2cc3n(n2)CCCC3)cccc1[N+](=O)[O-] ZINC001639433081 1100948491 /nfs/dbraw/zinc/94/84/91/1100948491.db2.gz JGJHHVYXRJDSDH-LLVKDONJSA-N 0 0 343.387 2.660 10 5 EFBERN CN(CCN1CCCC1=O)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001639477445 1100954250 /nfs/dbraw/zinc/95/42/50/1100954250.db2.gz ALIMNSYGFVUOMG-UHFFFAOYSA-N 0 0 332.187 2.960 10 5 EFBERN Cn1c(CCNc2c(Cl)cncc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC001639509130 1100957425 /nfs/dbraw/zinc/95/74/25/1100957425.db2.gz SQLKYKNVMJCDRS-UHFFFAOYSA-N 0 0 349.753 2.746 10 5 EFBERN Cc1ccc([C@@H](O)CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])o1 ZINC001639516223 1100957839 /nfs/dbraw/zinc/95/78/39/1100957839.db2.gz GQDHOEGVZHGLTI-AWEZNQCLSA-N 0 0 331.303 2.751 10 5 EFBERN CCCn1cc(Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])cn1 ZINC001639531015 1100958444 /nfs/dbraw/zinc/95/84/44/1100958444.db2.gz UCUCQTFPSPRJKZ-UHFFFAOYSA-N 0 0 342.315 2.823 10 5 EFBERN C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001639620232 1100967197 /nfs/dbraw/zinc/96/71/97/1100967197.db2.gz GVIJIRDQGVWEKK-GXTWGEPZSA-N 0 0 336.391 2.524 10 5 EFBERN C[C@]1(C(=O)OCc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000840278809 1100973291 /nfs/dbraw/zinc/97/32/91/1100973291.db2.gz TUNOPBFGXAQKFH-CYBMUJFWSA-N 0 0 344.161 2.970 10 5 EFBERN CNc1c(C(=O)Nc2cc(C)cc(C(=O)OC)c2)cccc1[N+](=O)[O-] ZINC001639689114 1100973659 /nfs/dbraw/zinc/97/36/59/1100973659.db2.gz ZDIGXXFTODEASK-UHFFFAOYSA-N 0 0 343.339 2.984 10 5 EFBERN O=C(N[C@@H](CO)CCF)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001639694938 1100975170 /nfs/dbraw/zinc/97/51/70/1100975170.db2.gz RFSXCZWBZVTJRY-GFCCVEGCSA-N 0 0 348.330 2.837 10 5 EFBERN Cc1cc(=O)[nH]c(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001639706364 1100976126 /nfs/dbraw/zinc/97/61/26/1100976126.db2.gz FTONCJZKFGXWNX-UHFFFAOYSA-N 0 0 329.312 2.605 10 5 EFBERN C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC001639714897 1100977603 /nfs/dbraw/zinc/97/76/03/1100977603.db2.gz RQEUXKRNDUQXIY-APPDUMDISA-N 0 0 332.331 2.760 10 5 EFBERN CC(C)c1nnc([C@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[nH]1 ZINC001639737819 1100980304 /nfs/dbraw/zinc/98/03/04/1100980304.db2.gz HYKYGYSIEKVOND-LURJTMIESA-N 0 0 347.301 2.762 10 5 EFBERN C[C@H](O)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC001639768967 1100982032 /nfs/dbraw/zinc/98/20/32/1100982032.db2.gz QJIWEHMOJDTRDR-VFZGTOFNSA-N 0 0 336.294 2.725 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Oc2cccc(-n3ccnn3)c2)cc1F ZINC001639765034 1100982369 /nfs/dbraw/zinc/98/23/69/1100982369.db2.gz FCSUUUFCDWYATD-UHFFFAOYSA-N 0 0 330.275 2.599 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(Nc3ccc(OC4COC4)cc3)nc2c1 ZINC001639787557 1100983133 /nfs/dbraw/zinc/98/31/33/1100983133.db2.gz PIUJWINOCYNVNQ-UHFFFAOYSA-N 0 0 326.312 2.992 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC001639780375 1100983536 /nfs/dbraw/zinc/98/35/36/1100983536.db2.gz ABNGIAHIOWZTAV-XYPYZODXSA-N 0 0 329.331 2.992 10 5 EFBERN CS(=O)(=O)c1ccc(F)c(CNc2ccsc2[N+](=O)[O-])c1 ZINC001639831175 1100987796 /nfs/dbraw/zinc/98/77/96/1100987796.db2.gz NSQBJKUWUWQCBZ-UHFFFAOYSA-N 0 0 330.362 2.811 10 5 EFBERN COc1cc(SC)ccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001639836989 1100988960 /nfs/dbraw/zinc/98/89/60/1100988960.db2.gz ARQQUMZONMDABF-UHFFFAOYSA-N 0 0 334.357 2.555 10 5 EFBERN O=C(N[C@@H](CCO)c1ccccc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001639873491 1100990699 /nfs/dbraw/zinc/99/06/99/1100990699.db2.gz VZIQACKXFSVYQG-HNNXBMFYSA-N 0 0 336.294 2.727 10 5 EFBERN Cc1cccc(CSc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001639908806 1100994603 /nfs/dbraw/zinc/99/46/03/1100994603.db2.gz LDPGFJWFDBNCFU-UHFFFAOYSA-N 0 0 338.410 2.843 10 5 EFBERN COC[C@]1(C)CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001639945942 1100997010 /nfs/dbraw/zinc/99/70/10/1100997010.db2.gz NLXWJCWMUQUTFY-MRXNPFEDSA-N 0 0 346.343 2.914 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCSC3(CCC3)C2)c1[N+](=O)[O-] ZINC001639935726 1100997047 /nfs/dbraw/zinc/99/70/47/1100997047.db2.gz DFZQSYYWVHLSCN-SNVBAGLBSA-N 0 0 338.433 2.819 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001639932309 1100997063 /nfs/dbraw/zinc/99/70/63/1100997063.db2.gz JYGQAUOVXCBSFF-GFCCVEGCSA-N 0 0 331.332 2.621 10 5 EFBERN CCn1nc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1C1CC1 ZINC001639997366 1101000779 /nfs/dbraw/zinc/00/07/79/1101000779.db2.gz KGLSVDAQWNBSRP-UHFFFAOYSA-N 0 0 329.360 2.832 10 5 EFBERN Cc1ccc(NC(=O)CCc2nc(C(C)C)no2)c(N)c1[N+](=O)[O-] ZINC001639992773 1101000813 /nfs/dbraw/zinc/00/08/13/1101000813.db2.gz HAJKHZHFPKVGIO-UHFFFAOYSA-N 0 0 333.348 2.563 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCOCC(F)(F)C2)cc1C ZINC001639998296 1101001530 /nfs/dbraw/zinc/00/15/30/1101001530.db2.gz SRGCEWMZINTOMY-UHFFFAOYSA-N 0 0 344.314 2.552 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001640029650 1101006504 /nfs/dbraw/zinc/00/65/04/1101006504.db2.gz UMSGXRWBOVJXHU-NSHDSACASA-N 0 0 335.291 2.830 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C(F)(F)c1nccs1 ZINC001640046646 1101008862 /nfs/dbraw/zinc/00/88/62/1101008862.db2.gz UUPWPSRKEMDZGB-UHFFFAOYSA-N 0 0 349.265 2.738 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ncccn3)C2)c2ncccc12 ZINC001640079529 1101011381 /nfs/dbraw/zinc/01/13/81/1101011381.db2.gz NPIAXBCWDIXBOW-GFCCVEGCSA-N 0 0 336.355 2.624 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC001640120594 1101016185 /nfs/dbraw/zinc/01/61/85/1101016185.db2.gz MYLBAWDJXPWASZ-MGPLVRAMSA-N 0 0 331.397 2.901 10 5 EFBERN Cc1ccc(NC[C@@H]2CCCNC2=O)c([N+](=O)[O-])c1Br ZINC000840350775 1101018874 /nfs/dbraw/zinc/01/88/74/1101018874.db2.gz KMSLWEFPOUWCDE-VIFPVBQESA-N 0 0 342.193 2.604 10 5 EFBERN O=[N+]([O-])c1c(N[C@H]2COc3cc(F)ccc3C2)nc2sccn21 ZINC001640178341 1101020539 /nfs/dbraw/zinc/02/05/39/1101020539.db2.gz QEXOWKPEYRPVER-SNVBAGLBSA-N 0 0 334.332 2.859 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1ccc2nccn2c1 ZINC001640189825 1101021399 /nfs/dbraw/zinc/02/13/99/1101021399.db2.gz OHLOHBXVTKOTDT-UHFFFAOYSA-N 0 0 326.238 2.738 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccnc(-n2cncn2)c1 ZINC001640268702 1101030262 /nfs/dbraw/zinc/03/02/62/1101030262.db2.gz PETOMYBHXZYYRY-UHFFFAOYSA-N 0 0 347.338 2.731 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cnn(CC2CCC2)c1 ZINC001640338789 1101035898 /nfs/dbraw/zinc/03/58/98/1101035898.db2.gz WMJNEYUWLLETEL-NSHDSACASA-N 0 0 343.387 2.665 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[C@H]2CCCS2(=O)=O)c2ncccc12 ZINC001640342866 1101036545 /nfs/dbraw/zinc/03/65/45/1101036545.db2.gz JBPVVOKXXAYKHW-LLVKDONJSA-N 0 0 335.385 2.522 10 5 EFBERN CN(Cc1c[nH]cn1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001640349341 1101036562 /nfs/dbraw/zinc/03/65/62/1101036562.db2.gz WWYMGNCDSFFTKB-UHFFFAOYSA-N 0 0 340.792 2.722 10 5 EFBERN Cc1ccc(F)c(N)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001640362773 1101039165 /nfs/dbraw/zinc/03/91/65/1101039165.db2.gz QSGSWAJJWZTOLA-UHFFFAOYSA-N 0 0 331.347 2.939 10 5 EFBERN COC(=O)Cc1ccc(NCC[C@H]2CC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001640392613 1101042664 /nfs/dbraw/zinc/04/26/64/1101042664.db2.gz AFLIBDDOSKPGLU-ZDUSSCGKSA-N 0 0 336.388 2.927 10 5 EFBERN C[C@@H](Cc1cccnc1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001640415485 1101044395 /nfs/dbraw/zinc/04/43/95/1101044395.db2.gz GGZPMBJKDUTKIP-NSHDSACASA-N 0 0 333.775 2.933 10 5 EFBERN CC(C)Oc1nc(NCc2cc(=O)[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001640412376 1101044470 /nfs/dbraw/zinc/04/44/70/1101044470.db2.gz YKMSEZVUCHKZJE-UHFFFAOYSA-N 0 0 345.359 2.762 10 5 EFBERN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)nc1 ZINC001640415732 1101045086 /nfs/dbraw/zinc/04/50/86/1101045086.db2.gz JHBFGWZMUUANAQ-MRXNPFEDSA-N 0 0 342.355 2.558 10 5 EFBERN Cc1cc(C(=O)NCC(F)(F)C2(O)CCCCC2)ccc1[N+](=O)[O-] ZINC001640424262 1101045910 /nfs/dbraw/zinc/04/59/10/1101045910.db2.gz RMJXELLIBOXCIH-UHFFFAOYSA-N 0 0 342.342 2.964 10 5 EFBERN C[C@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCS1(=O)=O ZINC001640453331 1101048042 /nfs/dbraw/zinc/04/80/42/1101048042.db2.gz SYEKWNJTQQIWHK-CMPLNLGQSA-N 0 0 335.385 2.521 10 5 EFBERN Nc1cccc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])n1 ZINC001640459074 1101049062 /nfs/dbraw/zinc/04/90/62/1101049062.db2.gz NMKOSRSZBPCTOP-UHFFFAOYSA-N 0 0 329.747 2.808 10 5 EFBERN COc1cnc([C@@H]2CCCN2c2cc(C)ccc2[N+](=O)[O-])[nH]c1=O ZINC001640502887 1101053711 /nfs/dbraw/zinc/05/37/11/1101053711.db2.gz VYZYDTAUKNQSBQ-LBPRGKRZSA-N 0 0 330.344 2.749 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H](O)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001640529378 1101055344 /nfs/dbraw/zinc/05/53/44/1101055344.db2.gz BERVHCZYNABRGB-HNNXBMFYSA-N 0 0 341.371 2.639 10 5 EFBERN CCOC(=O)c1ccnc(NCC(C)(C)C2=CCOCC2)c1[N+](=O)[O-] ZINC001640532466 1101055629 /nfs/dbraw/zinc/05/56/29/1101055629.db2.gz BKDASZBZNUEBSW-UHFFFAOYSA-N 0 0 349.387 2.951 10 5 EFBERN CC(C)(C)OC(=O)N1CC2(CCN2c2c(F)cccc2[N+](=O)[O-])C1 ZINC001640540020 1101057301 /nfs/dbraw/zinc/05/73/01/1101057301.db2.gz VCQDDATWKRVLHS-UHFFFAOYSA-N 0 0 337.351 2.934 10 5 EFBERN O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840402677 1101061078 /nfs/dbraw/zinc/06/10/78/1101061078.db2.gz AJNDHHINHMDDGZ-UKRRQHHQSA-N 0 0 326.356 2.744 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OCc1cc(=O)n2cc(C)sc2n1 ZINC001640618496 1101066164 /nfs/dbraw/zinc/06/61/64/1101066164.db2.gz LXJIHNFGXOKRNP-UHFFFAOYSA-N 0 0 347.352 2.560 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC001640647288 1101068543 /nfs/dbraw/zinc/06/85/43/1101068543.db2.gz XFPIXMYSZRCSIV-STQMWFEESA-N 0 0 343.358 2.925 10 5 EFBERN O=C(Nc1cc(O)cc(Br)c1)c1ccc([N+](=O)[O-])o1 ZINC001640655382 1101069207 /nfs/dbraw/zinc/06/92/07/1101069207.db2.gz IDKCKZKMSDMBDV-UHFFFAOYSA-N 0 0 327.090 2.908 10 5 EFBERN Cc1ccnc(-c2noc(COc3ccc([N+](=O)[O-])cc3C=O)n2)c1 ZINC001640657118 1101069293 /nfs/dbraw/zinc/06/92/93/1101069293.db2.gz AIDZBBOFZSXOJJ-UHFFFAOYSA-N 0 0 340.295 2.740 10 5 EFBERN CCOC(=O)c1c(C)ccnc1COc1ccc([N+](=O)[O-])cc1C=O ZINC001640657170 1101069640 /nfs/dbraw/zinc/06/96/40/1101069640.db2.gz BXOKOOQNRHIKJX-UHFFFAOYSA-N 0 0 344.323 2.866 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cncc(C(F)(F)F)c1 ZINC001640710581 1101073702 /nfs/dbraw/zinc/07/37/02/1101073702.db2.gz NKXZCXHMMVAHGM-UHFFFAOYSA-N 0 0 344.224 2.982 10 5 EFBERN COC(=O)c1ccc(OCc2cc(CO)ccc2F)c([N+](=O)[O-])c1 ZINC001640762234 1101077761 /nfs/dbraw/zinc/07/77/61/1101077761.db2.gz GUKWEERMESEIJN-UHFFFAOYSA-N 0 0 335.287 2.592 10 5 EFBERN Cc1ccc(C=Cc2nc(SCc3cn(C)nc3[N+](=O)[O-])n[nH]2)o1 ZINC001640834748 1101082585 /nfs/dbraw/zinc/08/25/85/1101082585.db2.gz OKRCFKMSTITYGO-WAYWQWQTSA-N 0 0 346.372 2.811 10 5 EFBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CCc1cccc(F)c1 ZINC001640890870 1101085901 /nfs/dbraw/zinc/08/59/01/1101085901.db2.gz YIZSXCWPPXQUAI-UHFFFAOYSA-N 0 0 329.287 2.793 10 5 EFBERN C[C@H]1c2ccccc2OCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001640886848 1101086439 /nfs/dbraw/zinc/08/64/39/1101086439.db2.gz AISHFRYXNZZAJI-NSHDSACASA-N 0 0 327.340 2.773 10 5 EFBERN COC(=O)c1ccc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)s1 ZINC001640949929 1101089938 /nfs/dbraw/zinc/08/99/38/1101089938.db2.gz KGOXZJKDUGCYEW-UHFFFAOYSA-N 0 0 332.341 2.544 10 5 EFBERN COCc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1C(F)(F)F ZINC001640951560 1101091538 /nfs/dbraw/zinc/09/15/38/1101091538.db2.gz YKUDBIPMNZDNMN-UHFFFAOYSA-N 0 0 344.249 2.735 10 5 EFBERN O=c1c(Br)cn(CC=C(Cl)Cl)cc1[N+](=O)[O-] ZINC001640986283 1101094344 /nfs/dbraw/zinc/09/43/44/1101094344.db2.gz YIGUISSASPEIIT-UHFFFAOYSA-N 0 0 327.949 2.838 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CCOc2ccc(F)c(Cl)c2)c1=O ZINC001641007823 1101094680 /nfs/dbraw/zinc/09/46/80/1101094680.db2.gz AJWCWKHHKKDKCQ-UHFFFAOYSA-N 0 0 326.711 2.936 10 5 EFBERN O=[N+]([O-])c1ccc(SCCS(=O)(=O)Nc2ccccc2)nc1 ZINC001641019382 1101095912 /nfs/dbraw/zinc/09/59/12/1101095912.db2.gz OIVHHJWVGIEOPC-UHFFFAOYSA-N 0 0 339.398 2.524 10 5 EFBERN CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001641050762 1101098255 /nfs/dbraw/zinc/09/82/55/1101098255.db2.gz OCTVUAUTAJKLPU-QGZVFWFLSA-N 0 0 341.367 2.563 10 5 EFBERN COc1cccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])OC)c1 ZINC001641146596 1101107649 /nfs/dbraw/zinc/10/76/49/1101107649.db2.gz IVLIFQBQLTWLFB-MRXNPFEDSA-N 0 0 348.330 2.860 10 5 EFBERN O=C(NCc1ccc(-c2ccccc2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC001641188909 1101111353 /nfs/dbraw/zinc/11/13/53/1101111353.db2.gz PPYPPXGFEXMLNQ-UHFFFAOYSA-N 0 0 328.353 2.976 10 5 EFBERN Cc1cn2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2n1 ZINC001641207581 1101115098 /nfs/dbraw/zinc/11/50/98/1101115098.db2.gz ZPFYCOUIODLAJB-UHFFFAOYSA-N 0 0 329.291 2.525 10 5 EFBERN CCn1c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])nc2cccnc21 ZINC001641257157 1101118752 /nfs/dbraw/zinc/11/87/52/1101118752.db2.gz OHTLUEFGBYJEMX-UHFFFAOYSA-N 0 0 343.318 2.680 10 5 EFBERN Nc1c(C(=O)NC[C@H]2CSc3ccccc32)cc(F)cc1[N+](=O)[O-] ZINC001641333601 1101126410 /nfs/dbraw/zinc/12/64/10/1101126410.db2.gz LPICFQKEFNRLGO-VIFPVBQESA-N 0 0 347.371 2.935 10 5 EFBERN CCc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC001641342014 1101127625 /nfs/dbraw/zinc/12/76/25/1101127625.db2.gz ZTIDUBYWNMVOPI-UHFFFAOYSA-N 0 0 343.383 2.965 10 5 EFBERN CNc1c(C(=O)NCc2cccc(C(C)=O)c2)cccc1[N+](=O)[O-] ZINC001641379072 1101130789 /nfs/dbraw/zinc/13/07/89/1101130789.db2.gz NRAIEWCVYSJAMV-UHFFFAOYSA-N 0 0 327.340 2.769 10 5 EFBERN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl)NC1CCCC1 ZINC001641441220 1101136095 /nfs/dbraw/zinc/13/60/95/1101136095.db2.gz LVTWDPFKIGHSKP-UHFFFAOYSA-N 0 0 349.778 2.566 10 5 EFBERN O=[N+]([O-])c1cc2c(cc1OCc1cccc3nsnc31)OCCO2 ZINC001641468291 1101138675 /nfs/dbraw/zinc/13/86/75/1101138675.db2.gz VYVFWXILVNUSNW-UHFFFAOYSA-N 0 0 345.336 2.950 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2cscc2Br)c1[N+](=O)[O-] ZINC001641578088 1101148642 /nfs/dbraw/zinc/14/86/42/1101148642.db2.gz LTVZHFFOQIZHTK-UHFFFAOYSA-N 0 0 345.178 2.957 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC001641614573 1101151278 /nfs/dbraw/zinc/15/12/78/1101151278.db2.gz IKGURUKPJPHSHO-YPMHNXCESA-N 0 0 336.392 2.519 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC=Cc1cccnc1 ZINC001641712345 1101158841 /nfs/dbraw/zinc/15/88/41/1101158841.db2.gz UIMNSCNBNZWROT-HYXAFXHYSA-N 0 0 339.351 2.782 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC001641726382 1101159942 /nfs/dbraw/zinc/15/99/42/1101159942.db2.gz MREJSZNRUDKTSD-CYBMUJFWSA-N 0 0 347.758 2.953 10 5 EFBERN Cc1nn(C)c(C(=O)Nc2cnc3c(F)cccc3c2)c1[N+](=O)[O-] ZINC001641731970 1101161242 /nfs/dbraw/zinc/16/12/42/1101161242.db2.gz GEUZHEUANPNCBD-UHFFFAOYSA-N 0 0 329.291 2.576 10 5 EFBERN Cc1[nH]nc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1-c1ccc(Cl)cc1 ZINC001641814614 1101167105 /nfs/dbraw/zinc/16/71/05/1101167105.db2.gz JCEJISALJBYHSX-UHFFFAOYSA-N 0 0 346.734 2.922 10 5 EFBERN O=C(NCC(F)(F)c1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641910640 1101174959 /nfs/dbraw/zinc/17/49/59/1101174959.db2.gz QYFIBLYDSRVRQQ-AWEZNQCLSA-N 0 0 336.294 2.536 10 5 EFBERN Nc1ccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001642044926 1101184975 /nfs/dbraw/zinc/18/49/75/1101184975.db2.gz HWZQUEUVBGTGSF-CQSZACIVSA-N 0 0 335.747 2.893 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1ccc(F)cc1F ZINC001642041887 1101185328 /nfs/dbraw/zinc/18/53/28/1101185328.db2.gz CVDVETIXOLYNMG-OAHLLOKOSA-N 0 0 336.294 2.645 10 5 EFBERN COC(=O)Nc1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001642072405 1101187439 /nfs/dbraw/zinc/18/74/39/1101187439.db2.gz BDHYEJBDDXHQJV-UHFFFAOYSA-N 0 0 336.735 2.856 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCOc2cccc(C(F)(F)F)c2)n1 ZINC001642092186 1101189859 /nfs/dbraw/zinc/18/98/59/1101189859.db2.gz VTVFTIZRUDKGOX-UHFFFAOYSA-N 0 0 330.266 2.838 10 5 EFBERN O=C(Nc1cc(O)c(F)cc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001642154703 1101192944 /nfs/dbraw/zinc/19/29/44/1101192944.db2.gz NHYUTLZUFMNDLC-UHFFFAOYSA-N 0 0 338.222 2.560 10 5 EFBERN Cc1ncc2c(n1)CCC[C@@H]2Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC001642251254 1101201957 /nfs/dbraw/zinc/20/19/57/1101201957.db2.gz QBWICWPGBFISDE-AWEZNQCLSA-N 0 0 332.335 2.814 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CC(OCc3cccc4ccccc43)C2)n1 ZINC001642373802 1101209789 /nfs/dbraw/zinc/20/97/89/1101209789.db2.gz HTOCBICSRVQMLM-UHFFFAOYSA-N 0 0 338.367 2.887 10 5 EFBERN CCn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1-c1cccnc1 ZINC001642394100 1101211141 /nfs/dbraw/zinc/21/11/41/1101211141.db2.gz MWSTZTNEZNEIBO-UHFFFAOYSA-N 0 0 328.357 2.814 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCNc2cccc(Br)c2)n1 ZINC001642501831 1101217698 /nfs/dbraw/zinc/21/76/98/1101217698.db2.gz FTCPRMVEYKAFEU-UHFFFAOYSA-N 0 0 340.181 2.615 10 5 EFBERN O=[N+]([O-])c1cccc(CCNc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001642525532 1101219375 /nfs/dbraw/zinc/21/93/75/1101219375.db2.gz UUVPIOCFJLMBID-UHFFFAOYSA-N 0 0 335.291 2.789 10 5 EFBERN CC(C)c1ccc(C(=O)Nc2cc(CO)cc(CO)c2)cc1[N+](=O)[O-] ZINC001642553669 1101222630 /nfs/dbraw/zinc/22/26/30/1101222630.db2.gz DRKDWEKQTZIIDR-UHFFFAOYSA-N 0 0 344.367 2.955 10 5 EFBERN CC(C)Cc1c[nH]c(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC001642692446 1101232718 /nfs/dbraw/zinc/23/27/18/1101232718.db2.gz NDTBIWYGZNNAMR-GOSISDBHSA-N 0 0 345.399 2.759 10 5 EFBERN C[C@@](CO)(NC(=O)c1ccnc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001642692062 1101232739 /nfs/dbraw/zinc/23/27/39/1101232739.db2.gz JQDCWAMMJCVKCI-SFHVURJKSA-N 0 0 341.367 2.505 10 5 EFBERN CC(C)(C)OCCCC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001642692318 1101233141 /nfs/dbraw/zinc/23/31/41/1101233141.db2.gz MSXHVKLABYFBFZ-QGZVFWFLSA-N 0 0 338.404 2.514 10 5 EFBERN C[C@@H](Cc1cnn(C)c1)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001642697806 1101233478 /nfs/dbraw/zinc/23/34/78/1101233478.db2.gz YJSOHSYPBSWNHZ-JTQLQIEISA-N 0 0 345.790 2.995 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ncc(C(F)(F)F)cn3)nc2c1 ZINC001642706964 1101234633 /nfs/dbraw/zinc/23/46/33/1101234633.db2.gz DTSNOBKLGQSZCX-UHFFFAOYSA-N 0 0 338.249 2.892 10 5 EFBERN O=C(NCc1c(Cl)cccc1OC(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC001642817529 1101244855 /nfs/dbraw/zinc/24/48/55/1101244855.db2.gz VZFSTPMNQSQCAX-UHFFFAOYSA-N 0 0 346.677 2.503 10 5 EFBERN CC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001642819681 1101245084 /nfs/dbraw/zinc/24/50/84/1101245084.db2.gz AZLMHDASTGHLST-VXGBXAGGSA-N 0 0 341.433 2.740 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN[C@H](c2ccccc2)C1 ZINC001642843792 1101248084 /nfs/dbraw/zinc/24/80/84/1101248084.db2.gz XEWRBRAPQUKWAO-YFWYWMRJSA-N 0 0 337.379 2.781 10 5 EFBERN COC(=O)[C@@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001642849110 1101249177 /nfs/dbraw/zinc/24/91/77/1101249177.db2.gz WCPCJYHLLNPWQP-LLVKDONJSA-N 0 0 325.321 2.893 10 5 EFBERN CNC(=O)c1ccc(NCc2cccc(C)c2OC)c([N+](=O)[O-])c1 ZINC001642870444 1101251613 /nfs/dbraw/zinc/25/16/13/1101251613.db2.gz PDMYCLOPEPCUFG-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN Cc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)cc1[N+](=O)[O-] ZINC001642929930 1101257388 /nfs/dbraw/zinc/25/73/88/1101257388.db2.gz ZDLXAVVQGRGQOA-JTQLQIEISA-N 0 0 328.372 2.681 10 5 EFBERN CCC[C@@H](CNc1nccc(C(=O)OCC)c1[N+](=O)[O-])OCC ZINC001642986732 1101261726 /nfs/dbraw/zinc/26/17/26/1101261726.db2.gz ZRGCTBVBWIPTSE-NSHDSACASA-N 0 0 325.365 2.784 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1c2nc[nH]c2ccc1F ZINC001642973187 1101261831 /nfs/dbraw/zinc/26/18/31/1101261831.db2.gz YTQYUFQWZLHUHR-UHFFFAOYSA-N 0 0 346.293 2.608 10 5 EFBERN CCOC(=O)c1cc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])on1 ZINC001643075541 1101268499 /nfs/dbraw/zinc/26/84/99/1101268499.db2.gz YSDJEJSKPMOSGU-UHFFFAOYSA-N 0 0 333.300 2.574 10 5 EFBERN CC[C@@H]1COCCN1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001643145101 1101274509 /nfs/dbraw/zinc/27/45/09/1101274509.db2.gz GUIDASGNNCYJRJ-CYBMUJFWSA-N 0 0 330.388 2.666 10 5 EFBERN O=[N+]([O-])c1c(NC[C@H]2CCCN2CC(F)(F)F)nc2ccccn21 ZINC001643156369 1101275440 /nfs/dbraw/zinc/27/54/40/1101275440.db2.gz IFTLKJHJXXLXGB-SNVBAGLBSA-N 0 0 343.309 2.681 10 5 EFBERN COc1ccc(OC)c([C@@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001643152263 1101275650 /nfs/dbraw/zinc/27/56/50/1101275650.db2.gz AVTKHRGMSJJVJM-QFYYESIMSA-N 0 0 333.344 2.541 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001643172596 1101276856 /nfs/dbraw/zinc/27/68/56/1101276856.db2.gz PBJCLPKVHSENPY-MAUKXSAKSA-N 0 0 342.399 2.524 10 5 EFBERN CC(C)Oc1nc(NCCc2nc(C(C)C)nn2C)ccc1[N+](=O)[O-] ZINC001643187485 1101278073 /nfs/dbraw/zinc/27/80/73/1101278073.db2.gz PGRCYNHNFBVGTO-UHFFFAOYSA-N 0 0 348.407 2.684 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2cnc3n2CCC3)c(C(F)(F)F)c1 ZINC001643186470 1101278435 /nfs/dbraw/zinc/27/84/35/1101278435.db2.gz ARGZRGIYPZMKHD-UHFFFAOYSA-N 0 0 327.266 2.763 10 5 EFBERN CSCc1nc(CNc2nc3ccccc3cc2[N+](=O)[O-])n[nH]1 ZINC001643196408 1101279562 /nfs/dbraw/zinc/27/95/62/1101279562.db2.gz DUKGRKNHRMOTCB-UHFFFAOYSA-N 0 0 330.373 2.736 10 5 EFBERN CCc1nn(C)c(NCc2ccccc2-c2ncc[nH]2)c1[N+](=O)[O-] ZINC001643213822 1101280646 /nfs/dbraw/zinc/28/06/46/1101280646.db2.gz NJPSIZIUBGPNGX-UHFFFAOYSA-N 0 0 326.360 2.893 10 5 EFBERN Cc1nc(CC2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)no1 ZINC001643217317 1101281181 /nfs/dbraw/zinc/28/11/81/1101281181.db2.gz SZHIJUNCGGGYSC-UHFFFAOYSA-N 0 0 347.331 2.654 10 5 EFBERN O=C(NCc1cc(C(F)(F)F)n[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC001643218375 1101281351 /nfs/dbraw/zinc/28/13/51/1101281351.db2.gz UVFVRTMLNFCJAV-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN Nc1cccc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 ZINC001643230332 1101282338 /nfs/dbraw/zinc/28/23/38/1101282338.db2.gz MDXPOADOBBXTGT-UHFFFAOYSA-N 0 0 330.735 2.781 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC(Cl)(Cl)C2)s1 ZINC001643225976 1101282473 /nfs/dbraw/zinc/28/24/73/1101282473.db2.gz IMGBMJHYYVIIBU-UHFFFAOYSA-N 0 0 345.229 2.808 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(COCCO)cc1 ZINC001643256241 1101285001 /nfs/dbraw/zinc/28/50/01/1101285001.db2.gz KISXKLXICWAFQE-UHFFFAOYSA-N 0 0 330.340 2.664 10 5 EFBERN CCC(=O)c1ccc(N2CCC([C@H]3COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001643260178 1101285031 /nfs/dbraw/zinc/28/50/31/1101285031.db2.gz SQUZIRCZIBTNGY-CYBMUJFWSA-N 0 0 347.371 2.512 10 5 EFBERN COC(=O)C[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001643279058 1101286867 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1101347123 /nfs/dbraw/zinc/34/71/23/1101347123.db2.gz HNPGUYDOLRMYPI-GFCCVEGCSA-N 0 0 344.367 2.930 10 5 EFBERN NC(=O)c1cc(N2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC001651546995 1101347971 /nfs/dbraw/zinc/34/79/71/1101347971.db2.gz NEJGGPIQHMMSAW-UHFFFAOYSA-N 0 0 331.759 2.910 10 5 EFBERN C[C@@H](Oc1ccc(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1)C(N)=O ZINC001651583214 1101352612 /nfs/dbraw/zinc/35/26/12/1101352612.db2.gz UVIRAUXNQPOIBN-SECBINFHSA-N 0 0 342.311 2.516 10 5 EFBERN Cc1nc(N2CCCC[C@@H]2c2noc(C(C)C)n2)ncc1[N+](=O)[O-] ZINC001651590024 1101353199 /nfs/dbraw/zinc/35/31/99/1101353199.db2.gz KIQFSGUAHYOPCB-LLVKDONJSA-N 0 0 332.364 2.931 10 5 EFBERN COc1ccc(OCc2cc(=O)n3cc(C)sc3n2)c([N+](=O)[O-])c1 ZINC001651608561 1101355910 /nfs/dbraw/zinc/35/59/10/1101355910.db2.gz BCWIAIUIEXAXTE-UHFFFAOYSA-N 0 0 347.352 2.560 10 5 EFBERN COc1cc(C(=O)Nc2cccc3nc[nH]c(=O)c32)ccc1[N+](=O)[O-] ZINC001651641127 1101359128 /nfs/dbraw/zinc/35/91/28/1101359128.db2.gz NDNRHHVZFAHGGD-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC001651659107 1101363341 /nfs/dbraw/zinc/36/33/41/1101363341.db2.gz FPTFVPQWFLPOGE-UHFFFAOYSA-N 0 0 347.392 2.855 10 5 EFBERN CCn1c2ccccc2nc(NCCc2cccc([N+](=O)[O-])c2)c1=O ZINC001651707933 1101371619 /nfs/dbraw/zinc/37/16/19/1101371619.db2.gz IHLZWYGHZGPFKD-UHFFFAOYSA-N 0 0 338.367 2.979 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1cc(C(F)(F)F)co1 ZINC001651733332 1101374389 /nfs/dbraw/zinc/37/43/89/1101374389.db2.gz XMXOCLVNUOEAMJ-UHFFFAOYSA-N 0 0 339.229 2.965 10 5 EFBERN CNC(=O)[C@H](Cc1ccccc1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001651744213 1101374572 /nfs/dbraw/zinc/37/45/72/1101374572.db2.gz JENUVYQBTWJBOD-AWEZNQCLSA-N 0 0 335.310 2.642 10 5 EFBERN NC(=O)c1cc(N[C@H]2COc3cc(F)cc(F)c32)ccc1[N+](=O)[O-] ZINC001651736373 1101375163 /nfs/dbraw/zinc/37/51/63/1101375163.db2.gz AYWPRASTCWUQSK-NSHDSACASA-N 0 0 335.266 2.518 10 5 EFBERN Cc1cc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1 ZINC000784937517 1101375607 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ZINC000069974878 203067800 /nfs/dbraw/zinc/06/78/00/203067800.db2.gz HKTLYVNSLARHJB-UHFFFAOYSA-N 0 0 336.731 2.763 10 5 EFBERN CCSCCC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000070039112 203072109 /nfs/dbraw/zinc/07/21/09/203072109.db2.gz URPYKYFYKKPZPB-VIFPVBQESA-N 0 0 344.364 2.747 10 5 EFBERN CCOc1ccc(C(=O)NCc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000414006686 243955413 /nfs/dbraw/zinc/95/54/13/243955413.db2.gz GFUPGRTYEHGLRV-UHFFFAOYSA-N 0 0 348.384 2.652 10 5 EFBERN O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000378307213 284116552 /nfs/dbraw/zinc/11/65/52/284116552.db2.gz FVBIQRLRKFOEJR-SNVBAGLBSA-N 0 0 342.380 2.820 10 5 EFBERN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000071900197 203142755 /nfs/dbraw/zinc/14/27/55/203142755.db2.gz TZIRTMAHFKQWJK-SJORKVTESA-N 0 0 325.368 2.584 10 5 EFBERN O=[N+]([O-])c1cc(CO)ccc1NCc1ccc(Cn2cccn2)cc1 ZINC000071913864 203148339 /nfs/dbraw/zinc/14/83/39/203148339.db2.gz MYCXFBCYNHHSCA-UHFFFAOYSA-N 0 0 338.367 2.944 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)c1[N+](=O)[O-] ZINC000071914448 203149135 /nfs/dbraw/zinc/14/91/35/203149135.db2.gz DJVUYOJICVXCTR-LURJTMIESA-N 0 0 326.715 2.910 10 5 EFBERN O=c1c2sccc2ncn1CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000071922108 203152120 /nfs/dbraw/zinc/15/21/20/203152120.db2.gz MSBCAFNBMPEMRO-UHFFFAOYSA-N 0 0 335.316 2.584 10 5 EFBERN C[C@@H](O)[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596942 244249189 /nfs/dbraw/zinc/24/91/89/244249189.db2.gz VRDGBGXNXMAZMZ-MLGOLLRUSA-N 0 0 348.424 2.905 10 5 EFBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c(OC)c1 ZINC000074363490 203286605 /nfs/dbraw/zinc/28/66/05/203286605.db2.gz BUAOFGGRXZFVTD-UHFFFAOYSA-N 0 0 336.369 2.912 10 5 EFBERN Cc1cc(S(=O)(=O)NCCc2cccs2)c(C)cc1[N+](=O)[O-] ZINC000416376160 244662025 /nfs/dbraw/zinc/66/20/25/244662025.db2.gz VDUGXIBGYZYTGN-UHFFFAOYSA-N 0 0 340.426 2.794 10 5 EFBERN CC[C@H](NC(=O)CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000084559878 203532203 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Cc1nn(CCC(=O)N(C)CCc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000102238914 204034956 /nfs/dbraw/zinc/03/49/56/204034956.db2.gz GTTYGIHVOPGHKT-UHFFFAOYSA-N 0 0 348.378 2.638 10 5 EFBERN CCC[C@@](C)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC ZINC000102637182 204045013 /nfs/dbraw/zinc/04/50/13/204045013.db2.gz KHODKPZFTQTYMC-MRXNPFEDSA-N 0 0 333.344 2.538 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000104579960 204113244 /nfs/dbraw/zinc/11/32/44/204113244.db2.gz JTFMMVDRSCILOG-UHFFFAOYSA-N 0 0 332.228 2.664 10 5 EFBERN CC(C)c1nc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000105714975 204154995 /nfs/dbraw/zinc/15/49/95/204154995.db2.gz POGBMLFEQAXNGG-JTQLQIEISA-N 0 0 339.373 2.777 10 5 EFBERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000105851248 204169251 /nfs/dbraw/zinc/16/92/51/204169251.db2.gz LWQNJIPNFRBGFO-OAHLLOKOSA-N 0 0 328.372 2.831 10 5 EFBERN Cc1cnn([C@@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105857359 204170734 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CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000109855180 204294982 /nfs/dbraw/zinc/29/49/82/204294982.db2.gz DOORBNBQZHKRID-CQSZACIVSA-N 0 0 343.387 2.534 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000110486388 204313347 /nfs/dbraw/zinc/31/33/47/204313347.db2.gz IKHPUWDONHQPJX-ZDUSSCGKSA-N 0 0 348.790 2.769 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000110481240 204313972 /nfs/dbraw/zinc/31/39/72/204313972.db2.gz HJSRXVMFHBNDCD-CYBMUJFWSA-N 0 0 348.790 2.851 10 5 EFBERN Cc1sc(C(=O)N2CCO[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000110880172 204325680 /nfs/dbraw/zinc/32/56/80/204325680.db2.gz HITYHISDYYYWJX-SNVBAGLBSA-N 0 0 339.398 2.635 10 5 EFBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000115589766 204511783 /nfs/dbraw/zinc/51/17/83/204511783.db2.gz UXIPIMTURHSJAG-GFCCVEGCSA-N 0 0 335.385 2.762 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H]2CCCC[C@H]21 ZINC000117616520 204574139 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CCc1nc(C(C)(C)NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000442658256 250096728 /nfs/dbraw/zinc/09/67/28/250096728.db2.gz UHSJWCMDWBQHDB-SNVBAGLBSA-N 0 0 347.375 2.836 10 5 EFBERN C[C@H]1CC[C@H](C(N)=O)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443439595 250194195 /nfs/dbraw/zinc/19/41/95/250194195.db2.gz HDPRXKPFVPXKJR-RYUDHWBXSA-N 0 0 335.404 2.862 10 5 EFBERN C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443439597 250194333 /nfs/dbraw/zinc/19/43/33/250194333.db2.gz HDPRXKPFVPXKJR-VXGBXAGGSA-N 0 0 335.404 2.862 10 5 EFBERN Cc1cccc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000443720129 250221032 /nfs/dbraw/zinc/22/10/32/250221032.db2.gz SGTOXKQVQSMUNG-UHFFFAOYSA-N 0 0 334.397 2.865 10 5 EFBERN Cc1cc(NCc2ncn(Cc3cccc(F)c3)n2)ncc1[N+](=O)[O-] ZINC000443994973 250245014 /nfs/dbraw/zinc/24/50/14/250245014.db2.gz GFSILYRZRGXSTJ-UHFFFAOYSA-N 0 0 342.334 2.689 10 5 EFBERN Cc1n[nH]cc1-c1nnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000444484510 250306218 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CC(C)[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000446517280 250505013 /nfs/dbraw/zinc/50/50/13/250505013.db2.gz FMUPEDGTPJQDMC-LLVKDONJSA-N 0 0 329.356 2.967 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)[C@H](C)O1 ZINC000446612065 250514581 /nfs/dbraw/zinc/51/45/81/250514581.db2.gz SGAXMDGFHYVAQN-UTLUCORTSA-N 0 0 344.314 2.834 10 5 EFBERN COc1ccc(COCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000447686228 250595342 /nfs/dbraw/zinc/59/53/42/250595342.db2.gz DKTVTYTXTJSAFM-UHFFFAOYSA-N 0 0 342.355 2.530 10 5 EFBERN CO[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000267083204 250711196 /nfs/dbraw/zinc/71/11/96/250711196.db2.gz KVGBNRLTUBHYEV-SNVBAGLBSA-N 0 0 343.343 2.870 10 5 EFBERN C[C@@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccnc1 ZINC000174027981 206981635 /nfs/dbraw/zinc/98/16/35/206981635.db2.gz VPGYPUWGWMTEHG-LLVKDONJSA-N 0 0 343.339 2.893 10 5 EFBERN COc1cc(N[C@H]2CCc3nnc(C(C)C)n3C2)ccc1[N+](=O)[O-] ZINC000174713780 207048419 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EFBERN Cc1cccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000174922106 207073529 /nfs/dbraw/zinc/07/35/29/207073529.db2.gz GJGPLHPCDSKUSA-LBPRGKRZSA-N 0 0 334.372 2.707 10 5 EFBERN Cc1c(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000174946605 207076084 /nfs/dbraw/zinc/07/60/84/207076084.db2.gz KPQJWVWELOYFGO-GFCCVEGCSA-N 0 0 334.372 2.707 10 5 EFBERN Cc1c(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000174946587 207076408 /nfs/dbraw/zinc/07/64/08/207076408.db2.gz KPQJWVWELOYFGO-LBPRGKRZSA-N 0 0 334.372 2.707 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC(F)F)C1CC1 ZINC000175107996 207094253 /nfs/dbraw/zinc/09/42/53/207094253.db2.gz WXOKCNBLLMBCMC-UHFFFAOYSA-N 0 0 334.344 2.630 10 5 EFBERN CCc1ncc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449609337 251082008 /nfs/dbraw/zinc/08/20/08/251082008.db2.gz MXDSXCVELDLGRF-UHFFFAOYSA-N 0 0 341.371 2.836 10 5 EFBERN Cc1cc(N2CCC[C@H](Nc3ccc(C)cc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000175153716 207098882 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Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000267722530 251286136 /nfs/dbraw/zinc/28/61/36/251286136.db2.gz KMZFEOOVLVNVHW-OAHLLOKOSA-N 0 0 346.362 2.993 10 5 EFBERN O=C(CCC(=O)N1CCC[C@H]2COCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000450149597 251278889 /nfs/dbraw/zinc/27/88/89/251278889.db2.gz WFODDVFYTOMXDA-HOCLYGCPSA-N 0 0 346.383 2.585 10 5 EFBERN CC[C@@H](NC(=O)NCCn1cc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000176247917 207206397 /nfs/dbraw/zinc/20/63/97/207206397.db2.gz KVPNGFGYHZRWEE-OAHLLOKOSA-N 0 0 331.376 2.550 10 5 EFBERN CCCN(CC(=O)Nc1ccccc1OC)c1ccc([N+](=O)[O-])nc1 ZINC000450393818 251372222 /nfs/dbraw/zinc/37/22/22/251372222.db2.gz RLMTYGQGJGXXHZ-UHFFFAOYSA-N 0 0 344.371 2.854 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@](O)(C(F)(F)F)C1 ZINC000450352380 251357234 /nfs/dbraw/zinc/35/72/34/251357234.db2.gz VQEXKEDOXLZOFX-CYBMUJFWSA-N 0 0 327.262 2.647 10 5 EFBERN CO[C@H](C)c1noc(CN(C)c2nccc3c2cccc3[N+](=O)[O-])n1 ZINC000450362194 251360586 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EFBERN COc1c(C(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452858988 251988807 /nfs/dbraw/zinc/98/88/07/251988807.db2.gz XLJGKODDWFGSDT-DOMZBBRYSA-N 0 0 336.388 2.784 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000452900270 251998570 /nfs/dbraw/zinc/99/85/70/251998570.db2.gz SXUMTTYQFMCMOP-BLLLJJGKSA-N 0 0 336.388 2.784 10 5 EFBERN CC(C)[C@H]1C[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000452908347 252002316 /nfs/dbraw/zinc/00/23/16/252002316.db2.gz WVXPKGDASLGFPD-CZUORRHYSA-N 0 0 336.388 2.541 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CCCCCC1 ZINC000453879814 252090852 /nfs/dbraw/zinc/09/08/52/252090852.db2.gz MLXBDELDJLNGAA-UHFFFAOYSA-N 0 0 333.388 2.928 10 5 EFBERN Cc1c(NC(=O)C(=O)NCC2CCCCCC2)cccc1[N+](=O)[O-] ZINC000453876673 252091027 /nfs/dbraw/zinc/09/10/27/252091027.db2.gz GJBGHPMFPZGHOL-UHFFFAOYSA-N 0 0 333.388 2.928 10 5 EFBERN COc1ccc(NC(=O)C(=O)NCC2CCCCCC2)cc1[N+](=O)[O-] ZINC000453893504 252095379 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C[C@H](NC(=O)NCc1cccnc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000454263198 252193413 /nfs/dbraw/zinc/19/34/13/252193413.db2.gz PHICHPYQAAUHKD-LBPRGKRZSA-N 0 0 343.387 2.616 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000454294441 252203603 /nfs/dbraw/zinc/20/36/03/252203603.db2.gz XEAJXNMXERSCGM-HOCLYGCPSA-N 0 0 335.404 2.845 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1CC1CCC1 ZINC000454294973 252203851 /nfs/dbraw/zinc/20/38/51/252203851.db2.gz YGRMDJUWGIDXIW-INIZCTEOSA-N 0 0 333.388 2.695 10 5 EFBERN Cn1c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1C1CC1 ZINC000178000270 207428789 /nfs/dbraw/zinc/42/87/89/207428789.db2.gz XABPCOAIQMXWJG-UHFFFAOYSA-N 0 0 327.388 2.765 10 5 EFBERN CCOC1(C)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000454515507 252290323 /nfs/dbraw/zinc/29/03/23/252290323.db2.gz KKLXNKTXTJKBDX-UHFFFAOYSA-N 0 0 345.302 2.839 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000178399295 207481875 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EFBERN O=[N+]([O-])c1ccc(NCc2ncccc2O)nc1-c1ccc(F)cc1 ZINC000362359117 285109182 /nfs/dbraw/zinc/10/91/82/285109182.db2.gz MHRZKNFVBWQZEX-UHFFFAOYSA-N 0 0 340.314 2.931 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@](O)(C(F)F)C2)nc1-c1ccccc1 ZINC000450711576 285130827 /nfs/dbraw/zinc/13/08/27/285130827.db2.gz VEVNCPREPCZUEG-MRXNPFEDSA-N 0 0 335.310 2.863 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@](O)(C(F)F)C2)nc1-c1ccccc1 ZINC000450711575 285129644 /nfs/dbraw/zinc/12/96/44/285129644.db2.gz VEVNCPREPCZUEG-INIZCTEOSA-N 0 0 335.310 2.863 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000195513646 285129779 /nfs/dbraw/zinc/12/97/79/285129779.db2.gz RDUJWEHQJDNXLQ-GFCCVEGCSA-N 0 0 343.343 2.836 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCc3cccc(F)c3)cc2N1 ZINC000097337003 219013583 /nfs/dbraw/zinc/01/35/83/219013583.db2.gz YJNFIQATLDQUHZ-UHFFFAOYSA-N 0 0 331.303 2.719 10 5 EFBERN O=c1[nH]c(N2CCC[C@@]3(CCCOC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000408107956 285149151 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CC1(C2(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC2)CC1 ZINC000456650809 255653018 /nfs/dbraw/zinc/65/30/18/255653018.db2.gz RENHQOOEEDXAHX-UHFFFAOYSA-N 0 0 326.356 2.843 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000456683382 255654950 /nfs/dbraw/zinc/65/49/50/255654950.db2.gz BAIHUNZRYNLDSB-KRWDZBQOSA-N 0 0 334.372 2.636 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CCOC2)C1 ZINC000456730378 255657884 /nfs/dbraw/zinc/65/78/84/255657884.db2.gz QERSFIPNOKTCOS-SFHVURJKSA-N 0 0 347.415 2.816 10 5 EFBERN COC[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000457044593 255673273 /nfs/dbraw/zinc/67/32/73/255673273.db2.gz QWSXINQOLQWSLB-LBPRGKRZSA-N 0 0 331.372 2.965 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000468125251 256014213 /nfs/dbraw/zinc/01/42/13/256014213.db2.gz FPSACAVWPMRNKT-MRXNPFEDSA-N 0 0 349.431 2.986 10 5 EFBERN CO[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000187797820 533275679 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Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC3=O)cc2)c1 ZINC000337117349 141530432 /nfs/dbraw/zinc/53/04/32/141530432.db2.gz UTWKLEGFPGPIHE-UHFFFAOYSA-N 0 0 325.324 2.892 10 5 EFBERN COC(C)(C)C[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416404664 292066800 /nfs/dbraw/zinc/06/68/00/292066800.db2.gz AQBIYZUHBNPUOS-GFCCVEGCSA-N 0 0 344.433 2.694 10 5 EFBERN COc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000337563229 141613386 /nfs/dbraw/zinc/61/33/86/141613386.db2.gz UOPGBIGXDYULIH-UHFFFAOYSA-N 0 0 331.328 2.755 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000338723975 141667628 /nfs/dbraw/zinc/66/76/28/141667628.db2.gz ZSUZZOKXXHWJIW-NSHDSACASA-N 0 0 330.344 2.858 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000338840661 141684218 /nfs/dbraw/zinc/68/42/18/141684218.db2.gz KUNCLJGEQSVNHA-UAGQMJEPSA-N 0 0 344.371 2.825 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2cccc(OC)c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000338843064 141684506 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ZINC000344806355 142081959 /nfs/dbraw/zinc/08/19/59/142081959.db2.gz FOVSHEZXXKDYAD-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC2(F)CCC2)c1C ZINC000344899895 142095096 /nfs/dbraw/zinc/09/50/96/142095096.db2.gz FUYVAIFMPSQPKW-UHFFFAOYSA-N 0 0 330.381 2.772 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cncc(F)c1 ZINC000344997420 142109545 /nfs/dbraw/zinc/10/95/45/142109545.db2.gz DNWDPUGLHFKBJU-VIFPVBQESA-N 0 0 339.348 2.706 10 5 EFBERN Cc1ccc(O)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000345930281 142119736 /nfs/dbraw/zinc/11/97/36/142119736.db2.gz PHMBSNNHIIXNPX-UHFFFAOYSA-N 0 0 339.254 2.858 10 5 EFBERN Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1 ZINC000345983331 142128204 /nfs/dbraw/zinc/12/82/04/142128204.db2.gz RDOKSFDOBUAZMV-HNNXBMFYSA-N 0 0 330.369 2.581 10 5 EFBERN Cn1c(C(=O)NC(C)(C)c2cc(C(F)(F)F)on2)ccc1[N+](=O)[O-] ZINC000346010647 142132761 /nfs/dbraw/zinc/13/27/61/142132761.db2.gz FWVLXAIKAUUEGS-UHFFFAOYSA-N 0 0 346.265 2.605 10 5 EFBERN CCOc1cc(C(=O)NCCCCSC)c([N+](=O)[O-])cc1OC ZINC000346021105 142134383 /nfs/dbraw/zinc/13/43/83/142134383.db2.gz AJGGDGXASBGGEH-UHFFFAOYSA-N 0 0 342.417 2.875 10 5 EFBERN O=C(NCc1nccc(C(F)F)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000346044007 142138912 /nfs/dbraw/zinc/13/89/12/142138912.db2.gz HIJSZUVBIWMVMB-UHFFFAOYSA-N 0 0 342.689 2.906 10 5 EFBERN CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000346118893 142149116 /nfs/dbraw/zinc/14/91/16/142149116.db2.gz CXASQVUYRBJHDF-LBPRGKRZSA-N 0 0 345.321 2.535 10 5 EFBERN Cn1cc(-c2cc(CN3CCc4ccc([N+](=O)[O-])cc4C3)on2)cn1 ZINC000346150369 142155605 /nfs/dbraw/zinc/15/56/05/142155605.db2.gz OLWIRKGHYAERMU-UHFFFAOYSA-N 0 0 339.355 2.542 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccnc(OC(C)C)c3)no2)n1 ZINC000346209529 142167997 /nfs/dbraw/zinc/16/79/97/142167997.db2.gz UXNMWLGSTWHQKL-UHFFFAOYSA-N 0 0 344.331 2.710 10 5 EFBERN C[C@H](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 ZINC000347478564 142223695 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CC1(C)CCC[C@](O)(CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000347833552 142278892 /nfs/dbraw/zinc/27/88/92/142278892.db2.gz PZSMJXQQLAFNIV-GOSISDBHSA-N 0 0 349.431 2.768 10 5 EFBERN COc1ncc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)n1 ZINC000347862216 142283865 /nfs/dbraw/zinc/28/38/65/142283865.db2.gz MLFPUZCWQLMNNO-UHFFFAOYSA-N 0 0 340.286 2.915 10 5 EFBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000347872855 142285392 /nfs/dbraw/zinc/28/53/92/142285392.db2.gz JIECHRYHFPSBCQ-CABZTGNLSA-N 0 0 332.278 2.773 10 5 EFBERN COc1cc(NCc2ccc3c(c2)C(=O)NCC3)c([N+](=O)[O-])cc1F ZINC000347880799 142286794 /nfs/dbraw/zinc/28/67/94/142286794.db2.gz QOUJMVPRDMOGRB-UHFFFAOYSA-N 0 0 345.330 2.641 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@H]3SCCc4ccccc43)nn21 ZINC000347885971 142287102 /nfs/dbraw/zinc/28/71/02/142287102.db2.gz JALXCCLJHWHHMF-CYBMUJFWSA-N 0 0 341.396 2.502 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1-n1cccn1 ZINC000347902413 142289591 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EFBERN C[C@@H](OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nccn1C ZINC000349841176 142366407 /nfs/dbraw/zinc/36/64/07/142366407.db2.gz RJROUFATLWBSMA-SNVBAGLBSA-N 0 0 329.316 2.656 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1OCc1cn(-c2ccccc2)nn1 ZINC000349946678 142381781 /nfs/dbraw/zinc/38/17/81/142381781.db2.gz LPLZWWKDEIYWNH-UHFFFAOYSA-N 0 0 331.719 2.803 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](CO)c1cccnc1 ZINC000349948528 142382204 /nfs/dbraw/zinc/38/22/04/142382204.db2.gz GIFYXGCBCYKVMN-CQSZACIVSA-N 0 0 344.371 2.504 10 5 EFBERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000352210213 142447029 /nfs/dbraw/zinc/44/70/29/142447029.db2.gz ICKHQDSYZOYDCS-RCOVLWMOSA-N 0 0 335.257 2.729 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352217726 142447937 /nfs/dbraw/zinc/44/79/37/142447937.db2.gz RKKAEOYLKMKYAQ-OIBJUYFYSA-N 0 0 342.277 2.884 10 5 EFBERN CO[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000352277466 142459049 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O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1ccccc1 ZINC000341044626 144978725 /nfs/dbraw/zinc/97/87/25/144978725.db2.gz WDZVWUPVBNOYPC-CVEARBPZSA-N 0 0 325.368 2.993 10 5 EFBERN COc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc2cccnc21 ZINC000341155648 145003211 /nfs/dbraw/zinc/00/32/11/145003211.db2.gz ANRONCSBPGNMAP-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1Cc2ccccc2O1 ZINC000341175775 145006499 /nfs/dbraw/zinc/00/64/99/145006499.db2.gz KKCANDVYGMYUOX-LBPRGKRZSA-N 0 0 348.305 2.535 10 5 EFBERN COc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc2cccnc21 ZINC000341210341 145014413 /nfs/dbraw/zinc/01/44/13/145014413.db2.gz FELXVRWONYYONN-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN C[C@@H](NC(=O)c1ncn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000341259870 145022337 /nfs/dbraw/zinc/02/23/37/145022337.db2.gz LOQPPIRQIKGUSR-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN CCOC(=O)CN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)C1CCC1 ZINC000341288450 145026975 /nfs/dbraw/zinc/02/69/75/145026975.db2.gz XBVKNWVBPSQKSF-UHFFFAOYSA-N 0 0 334.372 2.715 10 5 EFBERN Cc1cc2ncc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])c(C)n2n1 ZINC000341306297 145030291 /nfs/dbraw/zinc/03/02/91/145030291.db2.gz RKJNFCUPTUAIAT-LLVKDONJSA-N 0 0 339.355 2.745 10 5 EFBERN CCOC(=O)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCC1 ZINC000341308178 145030337 /nfs/dbraw/zinc/03/03/37/145030337.db2.gz UKMQZCYRHBJBEB-UHFFFAOYSA-N 0 0 340.763 2.806 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000341355555 145039045 /nfs/dbraw/zinc/03/90/45/145039045.db2.gz IJDPBRVIDHVWGE-KRWDZBQOSA-N 0 0 333.388 2.615 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)n1 ZINC000341362693 145039651 /nfs/dbraw/zinc/03/96/51/145039651.db2.gz DDMBIEZSLFGMHL-DZGCQCFKSA-N 0 0 340.383 2.900 10 5 EFBERN Cc1c(CC(=O)N2CCOC[C@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000341371815 145041474 /nfs/dbraw/zinc/04/14/74/145041474.db2.gz AMFOMZZUEQKEGM-MRXNPFEDSA-N 0 0 332.400 2.863 10 5 EFBERN Cc1cc(OCC(=O)N2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000341374369 145041705 /nfs/dbraw/zinc/04/17/05/145041705.db2.gz XBAVLKYMTQKLGN-OAHLLOKOSA-N 0 0 348.399 2.700 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCOC[C@@H]1CC1CCC1 ZINC000341388946 145044269 /nfs/dbraw/zinc/04/42/69/145044269.db2.gz KCIQHOYUZXMWPX-ZDUSSCGKSA-N 0 0 344.371 2.502 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000341406865 145046859 /nfs/dbraw/zinc/04/68/59/145046859.db2.gz MAKLJNCWSIQDMY-AWEZNQCLSA-N 0 0 334.372 2.635 10 5 EFBERN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC(=O)N1Cc1ccccc1 ZINC000341413595 145048193 /nfs/dbraw/zinc/04/81/93/145048193.db2.gz UWTBRDQEGALMRA-SWLSCSKDSA-N 0 0 326.356 2.591 10 5 EFBERN CN(C)c1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)nc1 ZINC000342083928 145059337 /nfs/dbraw/zinc/05/93/37/145059337.db2.gz LGOYCOITZQCWQA-UHFFFAOYSA-N 0 0 336.298 2.515 10 5 EFBERN CC(C)C[C@@H]1COCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342090340 145060753 /nfs/dbraw/zinc/06/07/53/145060753.db2.gz SUMAKQSCBIMOJV-GFCCVEGCSA-N 0 0 342.342 2.689 10 5 EFBERN CN1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000342106754 145063180 /nfs/dbraw/zinc/06/31/80/145063180.db2.gz RFJCYAVOAHCAKI-UHFFFAOYSA-N 0 0 347.321 2.899 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc3cc[nH]c32)c1 ZINC000342111702 145064278 /nfs/dbraw/zinc/06/42/78/145064278.db2.gz MAGSDXIMJKIMOB-UHFFFAOYSA-N 0 0 345.380 2.696 10 5 EFBERN CC[C@H](NC(=O)c1nccn2ccnc12)c1cccc([N+](=O)[O-])c1 ZINC000342149417 145071451 /nfs/dbraw/zinc/07/14/51/145071451.db2.gz MXKHMIKVFGFISO-ZDUSSCGKSA-N 0 0 325.328 2.519 10 5 EFBERN CC[C@@H](NC(=O)CCc1ccnc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000342150217 145071878 /nfs/dbraw/zinc/07/18/78/145071878.db2.gz OOSYFAKJQKMVNF-MRXNPFEDSA-N 0 0 328.372 2.893 10 5 EFBERN O=C(NCc1cnn2ccccc12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000342164766 145073864 /nfs/dbraw/zinc/07/38/64/145073864.db2.gz PXXCLCJEBBRVNE-UHFFFAOYSA-N 0 0 335.323 2.654 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2cccc(F)c2)n1 ZINC000342215013 145081748 /nfs/dbraw/zinc/08/17/48/145081748.db2.gz ZXGQZEFUKFSKMF-UHFFFAOYSA-N 0 0 333.319 2.960 10 5 EFBERN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1C(F)F ZINC000342279993 145092699 /nfs/dbraw/zinc/09/26/99/145092699.db2.gz KCBIHBKYGQOQBR-UHFFFAOYSA-N 0 0 327.291 2.965 10 5 EFBERN COc1ccc(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000342281068 145092781 /nfs/dbraw/zinc/09/27/81/145092781.db2.gz MGHZFNHWVHFXSX-LBPRGKRZSA-N 0 0 329.356 2.893 10 5 EFBERN Cc1ccc2nc(CN[C@@H](C)c3ccccc3[N+](=O)[O-])cc(=O)n2c1 ZINC000342288660 145093971 /nfs/dbraw/zinc/09/39/71/145093971.db2.gz ZKFBXZNCILVOJC-ZDUSSCGKSA-N 0 0 338.367 2.762 10 5 EFBERN COc1cccc(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342310111 145097990 /nfs/dbraw/zinc/09/79/90/145097990.db2.gz VLLIRHSANMZOCA-LBPRGKRZSA-N 0 0 329.356 2.893 10 5 EFBERN COC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000342320649 145100409 /nfs/dbraw/zinc/10/04/09/145100409.db2.gz OCWFAPLSQHLUQT-OAHLLOKOSA-N 0 0 347.346 2.650 10 5 EFBERN CSc1ccc(F)cc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000342435241 145125823 /nfs/dbraw/zinc/12/58/23/145125823.db2.gz GMQHKTOWIWWYEV-UHFFFAOYSA-N 0 0 336.348 2.562 10 5 EFBERN COc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000342455497 145130315 /nfs/dbraw/zinc/13/03/15/145130315.db2.gz CWWNZOUDUITUJN-SNVBAGLBSA-N 0 0 346.339 2.809 10 5 EFBERN CCN(Cc1ccccn1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342480098 145134946 /nfs/dbraw/zinc/13/49/46/145134946.db2.gz OPGGKAVRJFFJTC-UHFFFAOYSA-N 0 0 335.310 2.859 10 5 EFBERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342480072 145135139 /nfs/dbraw/zinc/13/51/39/145135139.db2.gz GXUHLAYCDZIPCD-MRVPVSSYSA-N 0 0 342.311 2.636 10 5 EFBERN CC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000342517021 145141987 /nfs/dbraw/zinc/14/19/87/145141987.db2.gz MOFQKBSHWDXSLY-HNNXBMFYSA-N 0 0 342.342 2.737 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(CC(F)F)CC1CCC1 ZINC000342545274 145146199 /nfs/dbraw/zinc/14/61/99/145146199.db2.gz MABAFLWCERGMPE-UHFFFAOYSA-N 0 0 338.314 2.979 10 5 EFBERN Cc1cc(=NC(=O)Cc2cccc([N+](=O)[O-])c2C)[nH]n1[C@H](C)C1CC1 ZINC000342635697 145163173 /nfs/dbraw/zinc/16/31/73/145163173.db2.gz JSGWRPAFGPBNME-CYBMUJFWSA-N 0 0 342.399 2.982 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000342644754 145164804 /nfs/dbraw/zinc/16/48/04/145164804.db2.gz FOYRZSVIQHNKOP-ZDUSSCGKSA-N 0 0 342.351 2.900 10 5 EFBERN Cn1c(C(=O)Nc2csc(-c3ccccn3)n2)ccc1[N+](=O)[O-] ZINC000342651183 145165905 /nfs/dbraw/zinc/16/59/05/145165905.db2.gz MCMGOCVSUAYPCX-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)NCC1CCC1 ZINC000342725042 145179998 /nfs/dbraw/zinc/17/99/98/145179998.db2.gz CYBYARLZGCGNBQ-UHFFFAOYSA-N 0 0 332.278 2.909 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cc(F)ccc2F)n1 ZINC000342824358 145202157 /nfs/dbraw/zinc/20/21/57/145202157.db2.gz KORACOVLHVZNTK-UHFFFAOYSA-N 0 0 337.282 2.709 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCOC[C@@H]1C ZINC000342872274 145213216 /nfs/dbraw/zinc/21/32/16/145213216.db2.gz PLTONGXXNAYMMT-QWRGUYRKSA-N 0 0 326.780 2.959 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCOC[C@H]1C ZINC000342872272 145213329 /nfs/dbraw/zinc/21/33/29/145213329.db2.gz PLTONGXXNAYMMT-GHMZBOCLSA-N 0 0 326.780 2.959 10 5 EFBERN COC(=O)CCCCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342929086 145223560 /nfs/dbraw/zinc/22/35/60/145223560.db2.gz RMYYQPAOOFDEBF-UHFFFAOYSA-N 0 0 333.344 2.539 10 5 EFBERN O=C(Nc1n[nH]c2ccc(F)cc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000342965083 145231341 /nfs/dbraw/zinc/23/13/41/145231341.db2.gz NEOSQUZPYMAFKD-UHFFFAOYSA-N 0 0 339.286 2.766 10 5 EFBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1(S(C)(=O)=O)CC1 ZINC000343637888 145259157 /nfs/dbraw/zinc/25/91/57/145259157.db2.gz YUTNTGHVECUHRH-SNVBAGLBSA-N 0 0 335.385 2.521 10 5 EFBERN CN(C)c1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)ccn1 ZINC000343691363 145272356 /nfs/dbraw/zinc/27/23/56/145272356.db2.gz UCLMLIHKSYDDFO-UHFFFAOYSA-N 0 0 336.298 2.515 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCOC1 ZINC000343766042 145289428 /nfs/dbraw/zinc/28/94/28/145289428.db2.gz XKYSOPBKIOKIGZ-HNNXBMFYSA-N 0 0 335.404 2.643 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000343772368 145290827 /nfs/dbraw/zinc/29/08/27/145290827.db2.gz ZIQOJXMWWBMYFF-SECBINFHSA-N 0 0 340.685 2.600 10 5 EFBERN CCOC1CC(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000343779394 145292691 /nfs/dbraw/zinc/29/26/91/145292691.db2.gz ZBYWGPLPPLLKET-UHFFFAOYSA-N 0 0 329.356 2.627 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCCS1 ZINC000343792827 145295888 /nfs/dbraw/zinc/29/58/88/145295888.db2.gz GHWOPVBQAMHCBK-JTQLQIEISA-N 0 0 330.356 2.817 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[C@@H]1CCOC1 ZINC000343823413 145302292 /nfs/dbraw/zinc/30/22/92/145302292.db2.gz JSYHUBDLRWIKOR-SNVBAGLBSA-N 0 0 326.324 2.749 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[C@H]1CCOC1 ZINC000343823411 145302316 /nfs/dbraw/zinc/30/23/16/145302316.db2.gz JSYHUBDLRWIKOR-JTQLQIEISA-N 0 0 326.324 2.749 10 5 EFBERN COc1cc(NCCC(=O)NCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000343900164 145320115 /nfs/dbraw/zinc/32/01/15/145320115.db2.gz KOJUSPALEPUQSH-UHFFFAOYSA-N 0 0 347.346 2.861 10 5 EFBERN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000343906124 145321174 /nfs/dbraw/zinc/32/11/74/145321174.db2.gz LIGAJOPJMFEPMW-GFCCVEGCSA-N 0 0 340.401 2.580 10 5 EFBERN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000343917887 145324341 /nfs/dbraw/zinc/32/43/41/145324341.db2.gz NLSJJDHLFIGERO-UHFFFAOYSA-N 0 0 341.367 2.966 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC=CCC1 ZINC000343939037 145328569 /nfs/dbraw/zinc/32/85/69/145328569.db2.gz USUAFSVXEBZIKT-GFCCVEGCSA-N 0 0 340.401 2.580 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000344017552 145346379 /nfs/dbraw/zinc/34/63/79/145346379.db2.gz UZIOZIWZCSCVQS-CYBMUJFWSA-N 0 0 345.359 2.852 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncn(C(C)(C)C)n2)c1 ZINC000344042557 145353824 /nfs/dbraw/zinc/35/38/24/145353824.db2.gz CRWSGVZTFYFRTR-UHFFFAOYSA-N 0 0 335.389 2.916 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCC(F)(F)C1 ZINC000344206369 145392815 /nfs/dbraw/zinc/39/28/15/145392815.db2.gz GSZSLBXUOTUXRQ-MRVPVSSYSA-N 0 0 334.269 2.967 10 5 EFBERN Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344219767 145395245 /nfs/dbraw/zinc/39/52/45/145395245.db2.gz XVJCVPXJFMFLON-UHFFFAOYSA-N 0 0 345.403 2.665 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(CO)c1ccc(O)cc1 ZINC000344249275 145402844 /nfs/dbraw/zinc/40/28/44/145402844.db2.gz KMNBYCSYCLYZJO-KRWDZBQOSA-N 0 0 345.355 2.638 10 5 EFBERN COc1cccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000344414854 145442671 /nfs/dbraw/zinc/44/26/71/145442671.db2.gz GVOULOOFYDCINV-ZDUSSCGKSA-N 0 0 328.372 2.937 10 5 EFBERN CCc1ccc(C(=O)NCC[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000346952334 145756754 /nfs/dbraw/zinc/75/67/54/145756754.db2.gz IXGWHFGRSRIKHP-LBPRGKRZSA-N 0 0 334.294 2.854 10 5 EFBERN C[C@H]1[C@@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)[C@@H]1c1ccccc1 ZINC000347136822 145797915 /nfs/dbraw/zinc/79/79/15/145797915.db2.gz ORTDWEUFNSQLEQ-ADEWGFFLSA-N 0 0 325.328 2.895 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000347151001 145801543 /nfs/dbraw/zinc/80/15/43/145801543.db2.gz FEQYCEAOPCBJQU-LBPRGKRZSA-N 0 0 336.772 2.679 10 5 EFBERN CC(C)C(C)(C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000347155687 145802587 /nfs/dbraw/zinc/80/25/87/145802587.db2.gz SXSAWAZSDVYRQQ-UHFFFAOYSA-N 0 0 346.387 2.770 10 5 EFBERN Cc1cnc(CCN(C)c2ncnc3cccc([N+](=O)[O-])c32)s1 ZINC000347401604 145859787 /nfs/dbraw/zinc/85/97/87/145859787.db2.gz DOHOIIFICAYEAL-UHFFFAOYSA-N 0 0 329.385 2.982 10 5 EFBERN Cc1c(NC(=O)C(=O)N[C@H](C(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000348572760 145975440 /nfs/dbraw/zinc/97/54/40/145975440.db2.gz TYTFZQYIFXDMQS-LLVKDONJSA-N 0 0 347.293 2.545 10 5 EFBERN Cc1ccc(NC(=O)C(=O)N[C@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000348578567 145976368 /nfs/dbraw/zinc/97/63/68/145976368.db2.gz NZWHSKLPPSMBOC-LLVKDONJSA-N 0 0 347.293 2.545 10 5 EFBERN O=C1N[C@H](Cc2cccc(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000348667943 145985338 /nfs/dbraw/zinc/98/53/38/145985338.db2.gz CBHCYJJVAQYADO-CQSZACIVSA-N 0 0 345.742 2.916 10 5 EFBERN O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000348871707 146017556 /nfs/dbraw/zinc/01/75/56/146017556.db2.gz LQUZDSXEPIGOAX-UHFFFAOYSA-N 0 0 341.367 2.687 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ccccc3)C2)n1 ZINC000348878371 146018109 /nfs/dbraw/zinc/01/81/09/146018109.db2.gz ITIJPKUQBOCQMP-AWEZNQCLSA-N 0 0 328.372 2.831 10 5 EFBERN C[C@@H](NS(=O)(=O)c1cccc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000349146121 146059282 /nfs/dbraw/zinc/05/92/82/146059282.db2.gz XSCBLVAZBANFGL-GFCCVEGCSA-N 0 0 349.412 2.700 10 5 EFBERN Cc1ccc(CCC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000351050396 146108005 /nfs/dbraw/zinc/10/80/05/146108005.db2.gz DGWMRLVIYVYZRZ-UHFFFAOYSA-N 0 0 341.327 2.853 10 5 EFBERN CSCCCC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000351496322 146131812 /nfs/dbraw/zinc/13/18/12/146131812.db2.gz RBCODRSIMNSLOH-UHFFFAOYSA-N 0 0 325.434 2.965 10 5 EFBERN CCOC(=O)c1c(C)onc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351543608 146142305 /nfs/dbraw/zinc/14/23/05/146142305.db2.gz SMRHNXFOLBOCOC-UHFFFAOYSA-N 0 0 345.355 2.626 10 5 EFBERN CCOC(=O)c1c(C)onc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000351611481 146158349 /nfs/dbraw/zinc/15/83/49/146158349.db2.gz QTDRNAOATXCGPE-JTQLQIEISA-N 0 0 333.344 2.919 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](CCO)c1ccccc1 ZINC000351627324 146162798 /nfs/dbraw/zinc/16/27/98/146162798.db2.gz GMCLNKNBBTYINP-CQSZACIVSA-N 0 0 333.319 2.979 10 5 EFBERN 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COC(=O)c1ccc([N+](=O)[O-])c(NCCCNc2ccccn2)c1 ZINC000360156647 148286455 /nfs/dbraw/zinc/28/64/55/148286455.db2.gz JQRYWQNMSXRJLR-UHFFFAOYSA-N 0 0 330.344 2.691 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCC1(F)CCC1 ZINC000360225009 148303741 /nfs/dbraw/zinc/30/37/41/148303741.db2.gz HWFUYVOJCZIHNM-UHFFFAOYSA-N 0 0 347.346 2.920 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[C@H](c4ccccc4F)C3)nn21 ZINC000360277048 148317041 /nfs/dbraw/zinc/31/70/41/148317041.db2.gz ZTMAFSPCMYGRQS-RYUDHWBXSA-N 0 0 341.346 2.947 10 5 EFBERN CNC(=O)C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000360281990 148319121 /nfs/dbraw/zinc/31/91/21/148319121.db2.gz DLRPOBYCAMZOEL-CYBMUJFWSA-N 0 0 334.763 2.933 10 5 EFBERN COc1ccc(NC(=O)N[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000360387325 148348509 /nfs/dbraw/zinc/34/85/09/148348509.db2.gz CLJNKWSDVKGPMZ-AWEZNQCLSA-N 0 0 345.355 2.849 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC000360386863 148349142 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Cc1c(CNC(=O)C(C)(C)COCC(F)F)cccc1[N+](=O)[O-] ZINC000360542253 148388552 /nfs/dbraw/zinc/38/85/52/148388552.db2.gz YHWYXSALSCSLHT-UHFFFAOYSA-N 0 0 330.331 2.827 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCn2c(cc3ccccc32)C1 ZINC000360733759 148437475 /nfs/dbraw/zinc/43/74/75/148437475.db2.gz VWBUBYWTCLVFEH-UHFFFAOYSA-N 0 0 336.351 2.909 10 5 EFBERN Cn1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000360885681 148481640 /nfs/dbraw/zinc/48/16/40/148481640.db2.gz PCFLPSSNXBGRNS-UHFFFAOYSA-N 0 0 332.385 2.937 10 5 EFBERN COc1ccc(NC(=O)c2cccc3c2CC(=O)CC3)c([N+](=O)[O-])c1 ZINC000361327762 148602105 /nfs/dbraw/zinc/60/21/05/148602105.db2.gz BAQFPEHUDQOLRE-UHFFFAOYSA-N 0 0 340.335 2.914 10 5 EFBERN C[C@@H](Oc1cccnc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000361546932 148649362 /nfs/dbraw/zinc/64/93/62/148649362.db2.gz UPORENCWGRNEGQ-NWDGAFQWSA-N 0 0 327.340 2.735 10 5 EFBERN O=C(NCCCCF)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361640249 148667703 /nfs/dbraw/zinc/66/77/03/148667703.db2.gz OWDQDEUNCRWYCY-UHFFFAOYSA-N 0 0 339.367 2.897 10 5 EFBERN CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000362235759 148783024 /nfs/dbraw/zinc/78/30/24/148783024.db2.gz PPNMIJWVKMDEEZ-LLVKDONJSA-N 0 0 344.820 2.978 10 5 EFBERN Nc1c(C(=O)N2CC[C@@H](Oc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000363127887 148934160 /nfs/dbraw/zinc/93/41/60/148934160.db2.gz HAZVETWWTCSXCH-CYBMUJFWSA-N 0 0 345.330 2.610 10 5 EFBERN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cn2)cnn1-c1ccccc1F ZINC000363727165 149004833 /nfs/dbraw/zinc/00/48/33/149004833.db2.gz YXMWCHGREKXNPJ-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN Cc1nnc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000363828573 149017213 /nfs/dbraw/zinc/01/72/13/149017213.db2.gz YFTSCKJOUOSDNG-UHFFFAOYSA-N 0 0 325.284 2.601 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cccc(-n3cccn3)c2)cc1 ZINC000363863732 149022431 /nfs/dbraw/zinc/02/24/31/149022431.db2.gz BNUKGPLUDDJXIU-UHFFFAOYSA-N 0 0 343.364 2.754 10 5 EFBERN 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COc1cc(NC[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000286500977 274213988 /nfs/dbraw/zinc/21/39/88/274213988.db2.gz SCNYIHBQOBANPD-ZDUSSCGKSA-N 0 0 332.356 2.628 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCCOC3)C2)c(C(F)(F)F)c1 ZINC000286567559 274226620 /nfs/dbraw/zinc/22/66/20/274226620.db2.gz LGFBRNSMJAADOZ-AWEZNQCLSA-N 0 0 346.305 2.999 10 5 EFBERN COC(=O)c1cc(C)nc(NCCCCOC(C)C)c1[N+](=O)[O-] ZINC000286711584 274257146 /nfs/dbraw/zinc/25/71/46/274257146.db2.gz DQQUVVMSOLDQLN-UHFFFAOYSA-N 0 0 325.365 2.702 10 5 EFBERN Cc1c(NC(=O)N2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000286867646 274289915 /nfs/dbraw/zinc/28/99/15/274289915.db2.gz HARNVRICOGCSQY-UHFFFAOYSA-N 0 0 341.371 2.958 10 5 EFBERN COC(=O)c1cc(C)nc(NCC[C@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000286882810 274292855 /nfs/dbraw/zinc/29/28/55/274292855.db2.gz OFIBVBKPTDTLHM-RYUDHWBXSA-N 0 0 337.376 2.702 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000287203877 274366974 /nfs/dbraw/zinc/36/69/74/274366974.db2.gz UTAWEVSUZXXDLB-CQSZACIVSA-N 0 0 332.385 2.774 10 5 EFBERN CC(C)c1ccc(O[C@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000287223580 274371549 /nfs/dbraw/zinc/37/15/49/274371549.db2.gz VZEQZAKIQTZLQZ-GFCCVEGCSA-N 0 0 346.387 2.649 10 5 EFBERN COc1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc([N+](=O)[O-])c1C ZINC000287253375 274378633 /nfs/dbraw/zinc/37/86/33/274378633.db2.gz XLHURZVZSSOAFA-CYBMUJFWSA-N 0 0 330.344 2.612 10 5 EFBERN Cc1ccc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000287289952 274386483 /nfs/dbraw/zinc/38/64/83/274386483.db2.gz VZBIPHIFRGTHHQ-UHFFFAOYSA-N 0 0 348.790 2.722 10 5 EFBERN CO[C@H]1C[C@@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000287419368 274416693 /nfs/dbraw/zinc/41/66/93/274416693.db2.gz LDVVIWGJODHTKA-IYBDPMFKSA-N 0 0 335.404 2.736 10 5 EFBERN CCc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000288378753 274580992 /nfs/dbraw/zinc/58/09/92/274580992.db2.gz PCCUAPCISPCVME-AWEZNQCLSA-N 0 0 334.397 2.991 10 5 EFBERN CCC1(CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CCOCC1 ZINC000288464350 274598726 /nfs/dbraw/zinc/59/87/26/274598726.db2.gz QDDVATOCDYDZIK-UHFFFAOYSA-N 0 0 337.376 2.704 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2CC(F)F)c1 ZINC000288819263 274666001 /nfs/dbraw/zinc/66/60/01/274666001.db2.gz MYARBPCUFSGIER-SECBINFHSA-N 0 0 346.355 2.813 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(=NC3CCN(c4ccccc4)CC3)[nH]c2c1 ZINC000447695855 275037539 /nfs/dbraw/zinc/03/75/39/275037539.db2.gz ZABCZMXVECCOKG-UHFFFAOYSA-N 0 0 337.383 2.974 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCN(c4ccc(F)cc4)CC3)nc2c1 ZINC000427978911 275039084 /nfs/dbraw/zinc/03/90/84/275039084.db2.gz FQSIDTSNZMRVFO-UHFFFAOYSA-N 0 0 341.346 2.937 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000185015606 275400029 /nfs/dbraw/zinc/40/00/29/275400029.db2.gz PRNNNOQHYKUERR-AOOXPWSASA-N 0 0 348.424 2.731 10 5 EFBERN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021092030 275476253 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CCO[C@H]1C[C@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C12CCC2 ZINC000342352136 276366434 /nfs/dbraw/zinc/36/64/34/276366434.db2.gz SYAWRTRMILBUBJ-STQMWFEESA-N 0 0 349.387 2.844 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000353004787 276372490 /nfs/dbraw/zinc/37/24/90/276372490.db2.gz MXVUBDNOENTLDD-OAHLLOKOSA-N 0 0 334.372 2.513 10 5 EFBERN CCN1CCO[C@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000356729782 276393114 /nfs/dbraw/zinc/39/31/14/276393114.db2.gz GNUPJBKUBFCURJ-HNNXBMFYSA-N 0 0 335.404 2.552 10 5 EFBERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000183620733 276498718 /nfs/dbraw/zinc/49/87/18/276498718.db2.gz SJTFDGOBFCCTLE-CYBMUJFWSA-N 0 0 329.356 2.929 10 5 EFBERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000151550752 276647693 /nfs/dbraw/zinc/64/76/93/276647693.db2.gz NRQQIRPEVJKAOI-LBPRGKRZSA-N 0 0 342.417 2.947 10 5 EFBERN CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000007598853 276801632 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2.984 10 5 EFBERN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1F ZINC000413206928 277337750 /nfs/dbraw/zinc/33/77/50/277337750.db2.gz ZHHHVQSACMVFCT-LBPRGKRZSA-N 0 0 347.346 2.945 10 5 EFBERN CC(C)CC[C@](C)(O)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342928206 277367645 /nfs/dbraw/zinc/36/76/45/277367645.db2.gz AZBYQDQOSWNACL-KRWDZBQOSA-N 0 0 333.388 2.993 10 5 EFBERN COc1cc(CN2CC[C@@]23CCOC3)c([N+](=O)[O-])cc1OC(F)F ZINC000421016917 277377264 /nfs/dbraw/zinc/37/72/64/277377264.db2.gz JNJLUUSAXIVLJN-HNNXBMFYSA-N 0 0 344.314 2.570 10 5 EFBERN COc1cc(CN2CC[C@@H](C(N)=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000352772912 277377291 /nfs/dbraw/zinc/37/72/91/277377291.db2.gz SLECXNGCSNYHKQ-CQSZACIVSA-N 0 0 341.367 2.583 10 5 EFBERN COc1cc(N2CCN(c3ccccc3)C(=O)C2)c([N+](=O)[O-])cc1F ZINC000360865237 277381865 /nfs/dbraw/zinc/38/18/65/277381865.db2.gz WENVWROTGGEVMW-UHFFFAOYSA-N 0 0 345.330 2.596 10 5 EFBERN COc1cc([C@H]2NC3(CC3)C(=O)N2c2ccccc2)ccc1[N+](=O)[O-] ZINC000414183012 277389096 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CC(=O)c1ccc(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000373773832 278248103 /nfs/dbraw/zinc/24/81/03/278248103.db2.gz VDQKZDIYLGBJAA-LXIYXOSZSA-N 0 0 348.399 2.960 10 5 EFBERN CC(=O)c1ccc(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000373773829 278248107 /nfs/dbraw/zinc/24/81/07/278248107.db2.gz VDQKZDIYLGBJAA-FHSNZYRGSA-N 0 0 348.399 2.960 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000079762289 288026716 /nfs/dbraw/zinc/02/67/16/288026716.db2.gz OGMLAGIVICZBJG-RKDXNWHRSA-N 0 0 343.177 2.607 10 5 EFBERN C[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000341569669 278338762 /nfs/dbraw/zinc/33/87/62/278338762.db2.gz CTZTWJHCDNCMQT-SNVBAGLBSA-N 0 0 346.412 2.829 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)CO1 ZINC000366118684 288036151 /nfs/dbraw/zinc/03/61/51/288036151.db2.gz JSLJRGZKUINJNV-WBMJQRKESA-N 0 0 327.340 2.592 10 5 EFBERN C[C@@H]1CCCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355619639 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336.351 2.881 10 5 EFBERN Cc1nc([C@](C)(NCc2c(F)cc([N+](=O)[O-])cc2F)C2CC2)no1 ZINC000433301074 279109218 /nfs/dbraw/zinc/10/92/18/279109218.db2.gz UYYMPTOLLYGKOT-OAHLLOKOSA-N 0 0 338.314 2.979 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194014771 279240205 /nfs/dbraw/zinc/24/02/05/279240205.db2.gz KSYHKNFKQXFWBS-SNVBAGLBSA-N 0 0 339.348 2.665 10 5 EFBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000115589423 279245234 /nfs/dbraw/zinc/24/52/34/279245234.db2.gz TUGOQVYNBXRDTR-CYBMUJFWSA-N 0 0 349.412 2.903 10 5 EFBERN CC(C)N(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000342438643 279290857 /nfs/dbraw/zinc/29/08/57/279290857.db2.gz OXAJGRNOGVAPIC-UHFFFAOYSA-N 0 0 342.342 2.832 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](c2ccc(F)cc2)O1 ZINC000265971424 279818646 /nfs/dbraw/zinc/81/86/46/279818646.db2.gz KXCDPXGRPMSJRK-IINYFYTJSA-N 0 0 333.319 2.664 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccsc2)c(Cl)c1 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10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3ncccn3)C2)c(Cl)c1 ZINC000172408721 280381775 /nfs/dbraw/zinc/38/17/75/280381775.db2.gz CJUDLNAVRKKHOP-SNVBAGLBSA-N 0 0 334.767 2.514 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2cc1S(=O)(=O)c1ccc(F)cc1 ZINC000004936777 280397005 /nfs/dbraw/zinc/39/70/05/280397005.db2.gz WBUWEXXDQOMOEO-UHFFFAOYSA-N 0 0 349.295 2.673 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CN(c3ccc(F)cc3)C2=O)n1 ZINC000347469593 280399679 /nfs/dbraw/zinc/39/96/79/280399679.db2.gz ZFNQQADSIBOCDY-CYBMUJFWSA-N 0 0 330.319 2.573 10 5 EFBERN CC(C)[C@](C)(CO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427390244 280512756 /nfs/dbraw/zinc/51/27/56/280512756.db2.gz IYQGLBLVDJCJJO-BONVTDFDSA-N 0 0 344.795 2.539 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000185344737 280658694 /nfs/dbraw/zinc/65/86/94/280658694.db2.gz JDFVJOLGYUBVDT-HNNXBMFYSA-N 0 0 328.324 2.971 10 5 EFBERN Cc1ccc([C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000376499466 281001333 /nfs/dbraw/zinc/00/13/33/281001333.db2.gz GDXYLIXBXCWQMF-HNNXBMFYSA-N 0 0 325.368 2.996 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000366529653 281258633 /nfs/dbraw/zinc/25/86/33/281258633.db2.gz ZHOAUJSBLBQGAA-CYBMUJFWSA-N 0 0 330.315 2.776 10 5 EFBERN CCC(=O)[C@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362990990 281966654 /nfs/dbraw/zinc/96/66/54/281966654.db2.gz SKTWAXAKGRTGIC-CQSZACIVSA-N 0 0 340.326 2.776 10 5 EFBERN Cc1nc(NC(=O)c2cccc3c2CC(=O)CC3)ccc1[N+](=O)[O-] ZINC000362013622 281970360 /nfs/dbraw/zinc/97/03/60/281970360.db2.gz NOQFUMDADFZQMV-UHFFFAOYSA-N 0 0 325.324 2.608 10 5 EFBERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079527877 288377690 /nfs/dbraw/zinc/37/76/90/288377690.db2.gz IWOWNUPKLKQRFK-DTORHVGOSA-N 0 0 343.177 2.607 10 5 EFBERN COc1ccc2c(c1)CCN2S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000058495025 292668590 /nfs/dbraw/zinc/66/85/90/292668590.db2.gz TZJOWQIRMLXDSY-UHFFFAOYSA-N 0 0 348.380 2.663 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000409927011 288575293 /nfs/dbraw/zinc/57/52/93/288575293.db2.gz XHFAPAXMHYTZEG-LBPRGKRZSA-N 0 0 348.371 2.966 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2Cl)s1 ZINC000065794734 292686121 /nfs/dbraw/zinc/68/61/21/292686121.db2.gz ZSSXWGDHCXUTCL-UHFFFAOYSA-N 0 0 346.817 2.831 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CC(C)C)C1 ZINC000074970688 292740853 /nfs/dbraw/zinc/74/08/53/292740853.db2.gz HMWDCJVZPMAQKK-LBPRGKRZSA-N 0 0 342.417 2.660 10 5 EFBERN C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000076725880 292759696 /nfs/dbraw/zinc/75/96/96/292759696.db2.gz KPNMUMQJKKTFRT-NXEZZACHSA-N 0 0 339.779 2.834 10 5 EFBERN C[C@H](NC(=O)NCc1ncnn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000336962263 289875075 /nfs/dbraw/zinc/87/50/75/289875075.db2.gz CWFXRDYOZGWWBL-NSHDSACASA-N 0 0 346.391 2.502 10 5 EFBERN CN1CCC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])c2ccccc21 ZINC000456604510 289984928 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COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)c(OC)c1 ZINC000127624618 293075262 /nfs/dbraw/zinc/07/52/62/293075262.db2.gz HFGXJTDAFIVLRE-UHFFFAOYSA-N 0 0 331.328 2.592 10 5 EFBERN COc1cccc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])n1 ZINC000128378842 293101271 /nfs/dbraw/zinc/10/12/71/293101271.db2.gz AMJZYHHRKVTJLL-UHFFFAOYSA-N 0 0 333.369 2.650 10 5 EFBERN Cc1ccccc1-c1noc(=O)n1CCc1ccc([N+](=O)[O-])cc1 ZINC000131922925 293212863 /nfs/dbraw/zinc/21/28/63/293212863.db2.gz QJBLLDHYRWQNJJ-UHFFFAOYSA-N 0 0 325.324 2.963 10 5 EFBERN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000134419909 293288888 /nfs/dbraw/zinc/28/88/88/293288888.db2.gz UNHAQMUHSADHPC-XHDPSFHLSA-N 0 0 346.387 2.532 10 5 EFBERN C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151599617 293294653 /nfs/dbraw/zinc/29/46/53/293294653.db2.gz DZQYRWVQXDSFGP-SWLSCSKDSA-N 0 0 326.418 2.935 10 5 EFBERN Cc1cc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000152476001 293335440 /nfs/dbraw/zinc/33/54/40/293335440.db2.gz XUKFMWSKQBKNKA-LLVKDONJSA-N 0 0 338.385 2.985 10 5 EFBERN CC(C)C[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152819792 293350009 /nfs/dbraw/zinc/35/00/09/293350009.db2.gz UXBZFZXVXVYEKS-CQSZACIVSA-N 0 0 326.418 2.935 10 5 EFBERN C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000152854018 293350501 /nfs/dbraw/zinc/35/05/01/293350501.db2.gz DRRFBVNSOLDNJP-CZUORRHYSA-N 0 0 343.387 2.584 10 5 EFBERN CC(C)N(C(=O)[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1)C(C)C ZINC000153088962 293359954 /nfs/dbraw/zinc/35/99/54/293359954.db2.gz KEXSVZLAMAWTQZ-CQSZACIVSA-N 0 0 333.432 2.987 10 5 EFBERN C[C@H](C(=O)NCc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153090155 293360087 /nfs/dbraw/zinc/36/00/87/293360087.db2.gz WDHOGJNYCYRRPA-CQSZACIVSA-N 0 0 339.395 2.658 10 5 EFBERN CCO[C@H](C)c1noc(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000153130234 293362278 /nfs/dbraw/zinc/36/22/78/293362278.db2.gz CSYDIZHHUQVRAK-LLVKDONJSA-N 0 0 332.360 2.634 10 5 EFBERN C[C@H](C(=O)NCc1cccs1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238442 293366776 /nfs/dbraw/zinc/36/67/76/293366776.db2.gz ALKLZUQUHAKXQS-GFCCVEGCSA-N 0 0 345.424 2.719 10 5 EFBERN CNC(=O)c1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153274706 293368543 /nfs/dbraw/zinc/36/85/43/293368543.db2.gz AUZBJTBODCHLOE-UHFFFAOYSA-N 0 0 325.368 2.513 10 5 EFBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cn1 ZINC000153311698 293369957 /nfs/dbraw/zinc/36/99/57/293369957.db2.gz LXQTUTMGQRYMKW-UHFFFAOYSA-N 0 0 346.774 2.640 10 5 EFBERN CN(Cc1cccs1)C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403307 293373817 /nfs/dbraw/zinc/37/38/17/293373817.db2.gz MPFLVKMZGWBBOS-UHFFFAOYSA-N 0 0 345.424 2.673 10 5 EFBERN CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153431083 293375011 /nfs/dbraw/zinc/37/50/11/293375011.db2.gz UYGVWRBNHFCLAP-LLVKDONJSA-N 0 0 331.338 2.895 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000155215182 293461273 /nfs/dbraw/zinc/46/12/73/293461273.db2.gz JTBHVZZYCUGSRD-NSHDSACASA-N 0 0 344.375 2.642 10 5 EFBERN Cc1cccc(Cl)c1NC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000157196653 293536691 /nfs/dbraw/zinc/53/66/91/293536691.db2.gz NHNPDTSBGITVQG-UHFFFAOYSA-N 0 0 335.747 2.665 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1nccn1Cc1ccccc1 ZINC000158688575 293581732 /nfs/dbraw/zinc/58/17/32/293581732.db2.gz GZKIOSMEHPKXAK-UHFFFAOYSA-N 0 0 344.758 2.703 10 5 EFBERN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000290036109 293983070 /nfs/dbraw/zinc/98/30/70/293983070.db2.gz HJHVWWHRQOCIIU-SCLBCKFNSA-N 0 0 328.368 2.766 10 5 EFBERN C[C@H](c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1)C1CC1 ZINC000290049620 293986476 /nfs/dbraw/zinc/98/64/76/293986476.db2.gz JQGKOMRXXCUXSC-NSHDSACASA-N 0 0 344.371 2.995 10 5 EFBERN C[C@H](c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)C1CC1 ZINC000290223912 294031701 /nfs/dbraw/zinc/03/17/01/294031701.db2.gz ZXKRRJIYVZNOAE-QMMMGPOBSA-N 0 0 337.357 2.562 10 5 EFBERN COC(=O)[C@H](CF)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000290323334 294057110 /nfs/dbraw/zinc/05/71/10/294057110.db2.gz DCWSAYLWIRYDHG-ZDUSSCGKSA-N 0 0 338.360 2.924 10 5 EFBERN COC(C)(C)CS(=O)(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000290343294 294062189 /nfs/dbraw/zinc/06/21/89/294062189.db2.gz BTJUHDOMSYZMBZ-UHFFFAOYSA-N 0 0 337.781 2.690 10 5 EFBERN Cc1sc(C(=O)N2CCn3c4ccccc4nc32)cc1[N+](=O)[O-] ZINC000031914010 294071078 /nfs/dbraw/zinc/07/10/78/294071078.db2.gz ZJZRROKGIUDBQM-UHFFFAOYSA-N 0 0 328.353 2.975 10 5 EFBERN NC(=O)c1ccnc(N2CCCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000290525888 294111292 /nfs/dbraw/zinc/11/12/92/294111292.db2.gz CULDTWOGSUXGLN-CQSZACIVSA-N 0 0 344.346 2.959 10 5 EFBERN NC(=O)c1ccnc(N2CCCC[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000290525885 294111350 /nfs/dbraw/zinc/11/13/50/294111350.db2.gz CULDTWOGSUXGLN-AWEZNQCLSA-N 0 0 344.346 2.959 10 5 EFBERN CCOCc1nc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)no1 ZINC000290590086 294129066 /nfs/dbraw/zinc/12/90/66/294129066.db2.gz CVRHOBRAAHKFIO-ZETCQYMHSA-N 0 0 327.728 2.736 10 5 EFBERN C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000290757738 294176493 /nfs/dbraw/zinc/17/64/93/294176493.db2.gz JPSLXKDXHLVNST-YGRLFVJLSA-N 0 0 344.346 2.815 10 5 EFBERN CCOCc1nc([C@@H](C)NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)no1 ZINC000290879845 294210647 /nfs/dbraw/zinc/21/06/47/294210647.db2.gz DNYQTWPBXNAIGR-SNVBAGLBSA-N 0 0 348.359 2.568 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290947377 294227848 /nfs/dbraw/zinc/22/78/48/294227848.db2.gz GNSJYULZWKCJJU-CVEARBPZSA-N 0 0 335.404 2.896 10 5 EFBERN CC(C)(CCc1noc(-c2cc(-c3cccnc3)on2)n1)[N+](=O)[O-] ZINC000291074867 294266602 /nfs/dbraw/zinc/26/66/02/294266602.db2.gz MIXQZIWFMPXAGC-UHFFFAOYSA-N 0 0 329.316 2.775 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000291102095 294275895 /nfs/dbraw/zinc/27/58/95/294275895.db2.gz JKRGPRLUPDXCNY-LLVKDONJSA-N 0 0 331.294 2.868 10 5 EFBERN 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COc1cc(C(=O)N[C@H]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000299677022 311110075 /nfs/dbraw/zinc/11/00/75/311110075.db2.gz IOGBAFLIEMJFTH-HNNXBMFYSA-N 0 0 326.352 2.891 10 5 EFBERN COc1cc(C(=O)N[C@@H]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000299677028 311110099 /nfs/dbraw/zinc/11/00/99/311110099.db2.gz IOGBAFLIEMJFTH-OAHLLOKOSA-N 0 0 326.352 2.891 10 5 EFBERN CCc1cc(NCc2ccnn2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301065007 311116986 /nfs/dbraw/zinc/11/69/86/311116986.db2.gz DGCREIVDPDFBKL-UHFFFAOYSA-N 0 0 338.371 2.960 10 5 EFBERN CCOc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301074824 311117474 /nfs/dbraw/zinc/11/74/74/311117474.db2.gz GXSFENPIZQJCEU-JTQLQIEISA-N 0 0 330.344 2.661 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCSc2c(F)cccc21 ZINC000301078578 311117763 /nfs/dbraw/zinc/11/77/63/311117763.db2.gz HVISALOJHBRLEW-GFCCVEGCSA-N 0 0 348.359 2.877 10 5 EFBERN CNC(=O)c1ccc(N(C)Cc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000301115446 311120060 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COc1ccccc1CSc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301289606 311129439 /nfs/dbraw/zinc/12/94/39/311129439.db2.gz SRZBAHZSFMPDOA-UHFFFAOYSA-N 0 0 343.364 2.904 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2ccnc(-n3ccnc3)c2)c(Cl)c1 ZINC000301298247 311129697 /nfs/dbraw/zinc/12/96/97/311129697.db2.gz YYDYOKKAGIAKOA-UHFFFAOYSA-N 0 0 330.735 2.836 10 5 EFBERN C[C@@H]1SCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])[C@H]1C ZINC000301296788 311129715 /nfs/dbraw/zinc/12/97/15/311129715.db2.gz SCJJWRGJGAEIHL-QWRGUYRKSA-N 0 0 335.429 2.817 10 5 EFBERN CC[C@@H]1COCCN1c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301326891 311131474 /nfs/dbraw/zinc/13/14/74/311131474.db2.gz ZMPRGFIDGPPRRU-CQSZACIVSA-N 0 0 328.372 2.975 10 5 EFBERN NC(=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301382259 311134691 /nfs/dbraw/zinc/13/46/91/311134691.db2.gz AOGQVTDVZBRJNV-RKDXNWHRSA-N 0 0 329.303 2.652 10 5 EFBERN Cc1cccc2c(CCNc3ncc([N+](=O)[O-])cc3C(N)=O)c[nH]c21 ZINC000301402450 311135585 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EFBERN O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3ncccc3F)C2)c(Cl)c1 ZINC000301539393 311143244 /nfs/dbraw/zinc/14/32/44/311143244.db2.gz BCSFZJDCPBSMOQ-SECBINFHSA-N 0 0 337.742 2.868 10 5 EFBERN CN(Cc1nc(-c2cccnc2)no1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301592082 311146211 /nfs/dbraw/zinc/14/62/11/311146211.db2.gz QWHURDKWJKVLOA-UHFFFAOYSA-N 0 0 346.734 2.725 10 5 EFBERN CSc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301592247 311146413 /nfs/dbraw/zinc/14/64/13/311146413.db2.gz DKBIWOHTCIYSMP-UHFFFAOYSA-N 0 0 332.385 2.731 10 5 EFBERN COC(=O)c1cc(N(C)Cc2c(C)noc2C)cc(C)c1[N+](=O)[O-] ZINC000301590845 311146453 /nfs/dbraw/zinc/14/64/53/311146453.db2.gz XYWYISLUZMLXGE-UHFFFAOYSA-N 0 0 333.344 2.931 10 5 EFBERN COCC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000301618331 311147850 /nfs/dbraw/zinc/14/78/50/311147850.db2.gz CWRBJPDPPUNBCX-LLVKDONJSA-N 0 0 337.767 2.810 10 5 EFBERN Cc1cc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)ccc1F ZINC000301617995 311147966 /nfs/dbraw/zinc/14/79/66/311147966.db2.gz WLHWWUQEEKFJCT-UHFFFAOYSA-N 0 0 331.303 2.985 10 5 EFBERN COc1cc(N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000301620335 311148105 /nfs/dbraw/zinc/14/81/05/311148105.db2.gz CLKPZFCJEYHTDP-ZJUUUORDSA-N 0 0 346.380 2.510 10 5 EFBERN COc1cc(NCCNC(=O)c2cccs2)c([N+](=O)[O-])cc1F ZINC000301620295 311148332 /nfs/dbraw/zinc/14/83/32/311148332.db2.gz MJAHWEYREMXLNN-UHFFFAOYSA-N 0 0 339.348 2.646 10 5 EFBERN Cc1noc(C)c1C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301631495 311148655 /nfs/dbraw/zinc/14/86/55/311148655.db2.gz BRTQGPCLQDAZRW-QMMMGPOBSA-N 0 0 346.343 2.574 10 5 EFBERN Cc1nc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301650652 311150088 /nfs/dbraw/zinc/15/00/88/311150088.db2.gz PXEYSIOZWYYOTB-LBPRGKRZSA-N 0 0 334.420 2.675 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@]2(CCO)CCOC2)c(Br)c1 ZINC000301659819 311150432 /nfs/dbraw/zinc/15/04/32/311150432.db2.gz JKQCRYPWUKTLLJ-ZDUSSCGKSA-N 0 0 345.193 2.558 10 5 EFBERN CO[C@@]1(C)C[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1(C)C ZINC000301692873 311152688 /nfs/dbraw/zinc/15/26/88/311152688.db2.gz OJSDMYBQWYLOHJ-BBRMVZONSA-N 0 0 335.360 2.541 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(Cl)nc3)cc2N1 ZINC000301698225 311152999 /nfs/dbraw/zinc/15/29/99/311152999.db2.gz QXXOXGILPCPUJT-UHFFFAOYSA-N 0 0 334.719 2.586 10 5 EFBERN COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1F ZINC000301706986 311153704 /nfs/dbraw/zinc/15/37/04/311153704.db2.gz VXVAJGJIBGMSJG-UHFFFAOYSA-N 0 0 347.302 2.686 10 5 EFBERN CCN(CC(=O)NC(C)C)c1ccc([N+](=O)[O-])cc1Br ZINC000301709958 311154051 /nfs/dbraw/zinc/15/40/51/311154051.db2.gz DDJKXXUBWTYWIU-UHFFFAOYSA-N 0 0 344.209 2.708 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccnc(-n2ccnc2)c1 ZINC000301749322 311156404 /nfs/dbraw/zinc/15/64/04/311156404.db2.gz TWLYYISEFAPREN-UHFFFAOYSA-N 0 0 330.735 2.836 10 5 EFBERN CCN(Cc1ccccc1C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301766006 311157314 /nfs/dbraw/zinc/15/73/14/311157314.db2.gz 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ZINC000301826949 311161174 /nfs/dbraw/zinc/16/11/74/311161174.db2.gz FKWPLJMELQKPKL-CYBMUJFWSA-N 0 0 326.356 2.625 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(SC2CCOCC2)c([N+](=O)[O-])c1 ZINC000301849586 311162255 /nfs/dbraw/zinc/16/22/55/311162255.db2.gz OQFWLSSEBOFFRU-UHFFFAOYSA-N 0 0 347.396 2.830 10 5 EFBERN CC[C@@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000301852446 311162533 /nfs/dbraw/zinc/16/25/33/311162533.db2.gz AVIQCUHYYXHOIK-SNVBAGLBSA-N 0 0 347.337 2.908 10 5 EFBERN Cc1nc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c(C)s1 ZINC000301860363 311163252 /nfs/dbraw/zinc/16/32/52/311163252.db2.gz DKIFTSUPVFNJMJ-UHFFFAOYSA-N 0 0 341.414 2.684 10 5 EFBERN CO[C@@H]1CC[C@H]2OCCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000301867631 311163875 /nfs/dbraw/zinc/16/38/75/311163875.db2.gz VTPNACCQMQAGJA-DDTOSNHZSA-N 0 0 328.315 2.646 10 5 EFBERN CO[C@@H]1CC[C@H]2OCCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000301867633 311163879 /nfs/dbraw/zinc/16/38/79/311163879.db2.gz VTPNACCQMQAGJA-LERXQTSPSA-N 0 0 328.315 2.646 10 5 EFBERN NC(=O)C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301881874 311164525 /nfs/dbraw/zinc/16/45/25/311164525.db2.gz WKQFCYUOAAUTMN-JTQLQIEISA-N 0 0 331.294 2.848 10 5 EFBERN COc1cc(NCc2ccnc(O[C@H]3CCOC3)c2)ccc1[N+](=O)[O-] ZINC000301888730 311165005 /nfs/dbraw/zinc/16/50/05/311165005.db2.gz NDACSSGAXGEEBF-AWEZNQCLSA-N 0 0 345.355 2.778 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCc3c[nH]c4cc(F)ccc34)nn21 ZINC000301893093 311165068 /nfs/dbraw/zinc/16/50/68/311165068.db2.gz AKCWAKROJJTBGO-UHFFFAOYSA-N 0 0 340.318 2.913 10 5 EFBERN COc1ccc([C@H](C)N(C)c2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301916463 311166606 /nfs/dbraw/zinc/16/66/06/311166606.db2.gz JEKWCKCFUHIHEW-NSHDSACASA-N 0 0 327.344 2.844 10 5 EFBERN COc1ccc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1F ZINC000301924301 311167199 /nfs/dbraw/zinc/16/71/99/311167199.db2.gz MDKYVOGCZBMZRB-VIFPVBQESA-N 0 0 331.307 2.958 10 5 EFBERN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](c2ccsc2)O1 ZINC000301924268 311167202 /nfs/dbraw/zinc/16/72/02/311167202.db2.gz GMPKAEBOQPLUAC-CMPLNLGQSA-N 0 0 345.384 2.665 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCC3(c4ccc(F)cc4)CC3)nn21 ZINC000301934050 311167527 /nfs/dbraw/zinc/16/75/27/311167527.db2.gz QFIAZACTYVXBTL-UHFFFAOYSA-N 0 0 327.319 2.920 10 5 EFBERN COc1ccc(OC)c([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301935724 311167705 /nfs/dbraw/zinc/16/77/05/311167705.db2.gz RCKPYIYFPSPSGF-SNVBAGLBSA-N 0 0 343.343 2.828 10 5 EFBERN C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301950377 311168611 /nfs/dbraw/zinc/16/86/11/311168611.db2.gz ISBIRRDDEPRVAF-VHSXEESVSA-N 0 0 333.373 2.623 10 5 EFBERN COc1ccc([C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1 ZINC000301958424 311168674 /nfs/dbraw/zinc/16/86/74/311168674.db2.gz GKAPVVOFHZKYBQ-CYBMUJFWSA-N 0 0 339.355 2.640 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3cccc(OC(F)F)c3)nn21 ZINC000301956699 311168724 /nfs/dbraw/zinc/16/87/24/311168724.db2.gz FTSBIPYMYOSWPY-UHFFFAOYSA-N 0 0 335.270 2.851 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000301962334 311169091 /nfs/dbraw/zinc/16/90/91/311169091.db2.gz RNMVSODFIAWSKD-SECBINFHSA-N 0 0 335.339 2.843 10 5 EFBERN C[C@H]1Cc2ccccc2N1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301966348 311169219 /nfs/dbraw/zinc/16/92/19/311169219.db2.gz KRRJKLOTQFZWIQ-LBPRGKRZSA-N 0 0 338.371 2.501 10 5 EFBERN C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301981217 311170203 /nfs/dbraw/zinc/17/02/03/311170203.db2.gz XXRUKZXOYMOTTH-MFKMUULPSA-N 0 0 345.334 2.701 10 5 EFBERN COc1ccc(CCCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301992354 311170767 /nfs/dbraw/zinc/17/07/67/311170767.db2.gz NCOUSONPQBCORI-UHFFFAOYSA-N 0 0 327.344 2.691 10 5 EFBERN Nc1nc(N[C@H]2CCCOc3c(Cl)cccc32)ncc1[N+](=O)[O-] ZINC000301995003 311171075 /nfs/dbraw/zinc/17/10/75/311171075.db2.gz HFLDFFNNGILMAF-JTQLQIEISA-N 0 0 335.751 2.946 10 5 EFBERN Cc1cc(NC[C@@H](C)N2CCOC[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302003726 311171395 /nfs/dbraw/zinc/17/13/95/311171395.db2.gz JZRZCMUTBQAINZ-ZIAGYGMSSA-N 0 0 344.415 2.973 10 5 EFBERN O=[N+]([O-])c1ccsc1N1CCN(Cc2nccn2C(F)F)CC1 ZINC000302005594 311171509 /nfs/dbraw/zinc/17/15/09/311171509.db2.gz UTMQUXOVIMHBDS-UHFFFAOYSA-N 0 0 343.359 2.570 10 5 EFBERN Cc1cc(NC[C@@H](C)N2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302015223 311172158 /nfs/dbraw/zinc/17/21/58/311172158.db2.gz LLZXJXAJRHTLEU-CYBMUJFWSA-N 0 0 330.388 2.584 10 5 EFBERN Cc1cc(N2CCC(n3cncn3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302019756 311172598 /nfs/dbraw/zinc/17/25/98/311172598.db2.gz NHYXZSLCXABIEQ-UHFFFAOYSA-N 0 0 338.371 2.884 10 5 EFBERN Cc1cc(N2CCC[C@@H](n3cncn3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302025331 311173146 /nfs/dbraw/zinc/17/31/46/311173146.db2.gz PUQKULSLYMKLJZ-CYBMUJFWSA-N 0 0 338.371 2.884 10 5 EFBERN Cc1cc(N2CCC[C@H](n3cncn3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302025332 311173155 /nfs/dbraw/zinc/17/31/55/311173155.db2.gz PUQKULSLYMKLJZ-ZDUSSCGKSA-N 0 0 338.371 2.884 10 5 EFBERN Cc1cc(NCC(=O)NCC(F)(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000302025306 311173169 /nfs/dbraw/zinc/17/31/69/311173169.db2.gz PTPTWFUHMRBOPA-UHFFFAOYSA-N 0 0 342.277 2.542 10 5 EFBERN Cc1cc(N[C@H](C)c2nc[nH]n2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000302031958 311173309 /nfs/dbraw/zinc/17/33/09/311173309.db2.gz KKSPPHJFHVSWNE-SNVBAGLBSA-N 0 0 325.332 2.651 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302036224 311173612 /nfs/dbraw/zinc/17/36/12/311173612.db2.gz LZUDPRZAADATPS-ZIAGYGMSSA-N 0 0 335.404 2.582 10 5 EFBERN COc1cccc2[nH]cc(CCNc3c([N+](=O)[O-])c(C)nn3C)c21 ZINC000302040282 311174261 /nfs/dbraw/zinc/17/42/61/311174261.db2.gz LIEKGXPIFCTDSN-UHFFFAOYSA-N 0 0 329.360 2.781 10 5 EFBERN CCc1ccc(N2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302042573 311174324 /nfs/dbraw/zinc/17/43/24/311174324.db2.gz OEDBEFDCJNTEFL-UHFFFAOYSA-N 0 0 341.411 2.976 10 5 EFBERN Cc1cc(NCCCN2CCCC2=O)c2cccc([N+](=O)[O-])c2n1 ZINC000302044608 311174522 /nfs/dbraw/zinc/17/45/22/311174522.db2.gz XMDKYHRXCRTZSC-UHFFFAOYSA-N 0 0 328.372 2.876 10 5 EFBERN O=C(C1CCCCC1)N1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302051771 311174719 /nfs/dbraw/zinc/17/47/19/311174719.db2.gz OZBKKCPLWQXECO-HNNXBMFYSA-N 0 0 347.415 2.680 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H](O)c1ccc(Cl)s1 ZINC000302064600 311175924 /nfs/dbraw/zinc/17/59/24/311175924.db2.gz TXLAAUAMYSPLQB-NSHDSACASA-N 0 0 328.777 2.948 10 5 EFBERN COC(=O)[C@]12CCC[C@H]1CN(c1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000302065415 311175952 /nfs/dbraw/zinc/17/59/52/311175952.db2.gz AQLRLYRBTLRCGE-QFYYESIMSA-N 0 0 338.335 2.522 10 5 EFBERN Cc1ccccc1[C@H]1CN(c2cc(CO)ccc2[N+](=O)[O-])CCO1 ZINC000302067171 311176052 /nfs/dbraw/zinc/17/60/52/311176052.db2.gz UQINFVYVFSLOAN-GOSISDBHSA-N 0 0 328.368 2.973 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000302067869 311176133 /nfs/dbraw/zinc/17/61/33/311176133.db2.gz UTRLSWWHRBOCKC-LBPRGKRZSA-N 0 0 348.790 2.826 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)(O)c2ccccc2)c1 ZINC000302077527 311176721 /nfs/dbraw/zinc/17/67/21/311176721.db2.gz HTDPQGOAMDGWAR-QGZVFWFLSA-N 0 0 330.340 2.701 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(Sc2nnc(C(F)F)n2C)c1 ZINC000302076845 311176736 /nfs/dbraw/zinc/17/67/36/311176736.db2.gz JRFQHJRHEGXJGW-UHFFFAOYSA-N 0 0 334.279 2.960 10 5 EFBERN O=C1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1cccnc1 ZINC000302115594 311178535 /nfs/dbraw/zinc/17/85/35/311178535.db2.gz BXMKAIVBWKEMGA-CQSZACIVSA-N 0 0 330.319 2.736 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)nc1 ZINC000302126031 311179031 /nfs/dbraw/zinc/17/90/31/311179031.db2.gz AMOWYHGRNCOGIT-CYBMUJFWSA-N 0 0 337.343 2.511 10 5 EFBERN COC(=O)[C@]12CCC[C@@H]1CN(c1cc(OC)cc(F)c1[N+](=O)[O-])C2 ZINC000302133968 311179575 /nfs/dbraw/zinc/17/95/75/311179575.db2.gz CQULHNYAAZOQMO-HWPZZCPQSA-N 0 0 338.335 2.522 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CCC[C@@]2(C(=O)OC)C1 ZINC000302136024 311179615 /nfs/dbraw/zinc/17/96/15/311179615.db2.gz DEKUASVZYHNZQP-SUMWQHHRSA-N 0 0 334.372 2.521 10 5 EFBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000302143559 311180358 /nfs/dbraw/zinc/18/03/58/311180358.db2.gz ICZLINHBCVQZKH-CQSZACIVSA-N 0 0 332.360 2.699 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)c2cccc(C)c2)c1 ZINC000302153417 311181051 /nfs/dbraw/zinc/18/10/51/311181051.db2.gz IEWUAEGFERNHSX-INIZCTEOSA-N 0 0 330.340 2.835 10 5 EFBERN Cc1csc([C@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)n1 ZINC000302157726 311181404 /nfs/dbraw/zinc/18/14/04/311181404.db2.gz WXWFKYIBKBMQLI-MRVPVSSYSA-N 0 0 348.384 2.906 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H]2CCCN(Cc3c(F)cccc3F)C2)nc1 ZINC000302160857 311181567 /nfs/dbraw/zinc/18/15/67/311181567.db2.gz PDQCFUQTKNNQMO-NSHDSACASA-N 0 0 349.341 2.740 10 5 EFBERN COC(=O)[C@]12CCC[C@H]1CN(c1ccc3cc([N+](=O)[O-])ccc3n1)C2 ZINC000302172056 311182220 /nfs/dbraw/zinc/18/22/20/311182220.db2.gz MGKOWLPRPAHPRL-UGSOOPFHSA-N 0 0 341.367 2.923 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(-n3ccnn3)c2)c1 ZINC000302187792 311183419 /nfs/dbraw/zinc/18/34/19/311183419.db2.gz QCDIDLNHKAILNQ-UHFFFAOYSA-N 0 0 339.311 2.706 10 5 EFBERN Cc1cc(Nc2nc3sccn3c2[N+](=O)[O-])ccc1OCCO ZINC000302192526 311183658 /nfs/dbraw/zinc/18/36/58/311183658.db2.gz RKJNPRRFTNMMJR-UHFFFAOYSA-N 0 0 334.357 2.727 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)(O)c2ccsc2)c1 ZINC000302198282 311184192 /nfs/dbraw/zinc/18/41/92/311184192.db2.gz UDOPJBONJPQODL-HNNXBMFYSA-N 0 0 336.369 2.763 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3cccc(C)c3n2)c1 ZINC000302202070 311184318 /nfs/dbraw/zinc/18/43/18/311184318.db2.gz VNMLDYXGZSPNSE-UHFFFAOYSA-N 0 0 340.339 2.950 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc([S@](C)=O)cc2)c1 ZINC000302206846 311184549 /nfs/dbraw/zinc/18/45/49/311184549.db2.gz XIFAMYIIOJLXBK-DEOSSOPVSA-N 0 0 348.380 2.731 10 5 EFBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[S@@]1=O ZINC000302220252 311185488 /nfs/dbraw/zinc/18/54/88/311185488.db2.gz MSUCBUGASMJOAW-QHCPKHFHSA-N 0 0 341.389 2.631 10 5 EFBERN CCC1(CC)CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC[S@]1=O ZINC000302225668 311185945 /nfs/dbraw/zinc/18/59/45/311185945.db2.gz RVSSQZICGIAGEW-HSZRJFAPSA-N 0 0 344.408 2.870 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCCC[C@@H]3CCCCO3)cc2N1 ZINC000302234200 311186474 /nfs/dbraw/zinc/18/64/74/311186474.db2.gz TZELOMZPLMWDDR-NSHDSACASA-N 0 0 335.360 2.687 10 5 EFBERN CC(C)Cc1nsc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000302245329 311187011 /nfs/dbraw/zinc/18/70/11/311187011.db2.gz SBRPXVKPALVGRL-UHFFFAOYSA-N 0 0 347.444 2.971 10 5 EFBERN CN1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000302245530 311187041 /nfs/dbraw/zinc/18/70/41/311187041.db2.gz ZZNCJZSZTCMFCA-KBPBESRZSA-N 0 0 333.779 2.896 10 5 EFBERN Cc1cc(C(C)C)nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000302243747 311187151 /nfs/dbraw/zinc/18/71/51/311187151.db2.gz JVJHNLZGLBUXBJ-UHFFFAOYSA-N 0 0 342.403 2.538 10 5 EFBERN CC[C@H](CO)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302263311 311187710 /nfs/dbraw/zinc/18/77/10/311187710.db2.gz DJGMBKBOHUMZNC-SNVBAGLBSA-N 0 0 348.230 2.795 10 5 EFBERN CC(=O)c1ccc(N2CC(O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000302296121 311188098 /nfs/dbraw/zinc/18/80/98/311188098.db2.gz MBICBALXQRAZOK-UHFFFAOYSA-N 0 0 330.315 2.644 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1N1CCO[C@H](c3cccc(O)c3)C1)CCN2 ZINC000302439326 311189975 /nfs/dbraw/zinc/18/99/75/311189975.db2.gz MTSDHJWEJHXWFS-KRWDZBQOSA-N 0 0 341.367 2.846 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000302498299 311191645 /nfs/dbraw/zinc/19/16/45/311191645.db2.gz NOLHGCQRKPNNSD-UONOGXRCSA-N 0 0 340.383 2.912 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000302498300 311191851 /nfs/dbraw/zinc/19/18/51/311191851.db2.gz NOLHGCQRKPNNSD-ZIAGYGMSSA-N 0 0 340.383 2.912 10 5 EFBERN CC(C)c1nnc2n1CCN(c1nc3sccn3c1[N+](=O)[O-])[C@@H]2C ZINC000302568331 311193604 /nfs/dbraw/zinc/19/36/04/311193604.db2.gz POZNEALCZSFVJV-SECBINFHSA-N 0 0 347.404 2.600 10 5 EFBERN CC(C)c1nnc2n1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]2C ZINC000302606820 311194444 /nfs/dbraw/zinc/19/44/44/311194444.db2.gz ZRSRPQLWSLWAFN-SECBINFHSA-N 0 0 336.783 2.939 10 5 EFBERN CCO[C@H]1C[C@@](O)(CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1(C)C ZINC000302669181 311195700 /nfs/dbraw/zinc/19/57/00/311195700.db2.gz CXOYLKMPXXYHCU-XJKSGUPXSA-N 0 0 342.367 2.721 10 5 EFBERN O=[N+]([O-])c1cnc(NCCN2CCc3c(Cl)cccc3C2)nc1 ZINC000302668956 311195728 /nfs/dbraw/zinc/19/57/28/311195728.db2.gz NIMGPUBYNZNQTM-UHFFFAOYSA-N 0 0 333.779 2.508 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]1c1ccco1 ZINC000302666053 311195916 /nfs/dbraw/zinc/19/59/16/311195916.db2.gz QCNWWPIYUYTULR-LBPRGKRZSA-N 0 0 336.369 2.933 10 5 EFBERN CC[C@@H]1CN(c2c(C)cc([N+](=O)[O-])cc2Cl)CCN1C[C@@H](C)O ZINC000302688713 311196624 /nfs/dbraw/zinc/19/66/24/311196624.db2.gz RCGGTLPKMPCNKY-CHWSQXEVSA-N 0 0 341.839 2.838 10 5 EFBERN Cc1cccc2c1OCC[C@H]2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302718283 311197816 /nfs/dbraw/zinc/19/78/16/311197816.db2.gz YZWYVFZPFHEZSV-GFCCVEGCSA-N 0 0 325.328 2.882 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000302771151 311200335 /nfs/dbraw/zinc/20/03/35/311200335.db2.gz MYUHKIPXEOXOQP-JQEORGNBSA-N 0 0 326.299 2.651 10 5 EFBERN COC(=O)c1cnc(NCc2csc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000302786660 311201265 /nfs/dbraw/zinc/20/12/65/311201265.db2.gz WKQKHLCYOQTVOW-UHFFFAOYSA-N 0 0 336.373 2.968 10 5 EFBERN CC(C)c1nnc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000302806589 311202309 /nfs/dbraw/zinc/20/23/09/311202309.db2.gz XHENARWCOURGEN-SNVBAGLBSA-N 0 0 334.405 2.656 10 5 EFBERN O=C(c1cccs1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302855500 311204383 /nfs/dbraw/zinc/20/43/83/311204383.db2.gz LGCDVYFIGOQTLG-UHFFFAOYSA-N 0 0 335.360 2.758 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCN(C[C@H](O)COc1ccc(F)cc1)C2 ZINC000305473287 311223362 /nfs/dbraw/zinc/22/33/62/311223362.db2.gz YSKKWFOYBUSADP-HNNXBMFYSA-N 0 0 346.358 2.532 10 5 EFBERN CNc1ccc(C(=O)Nc2cccc(CCCO)c2)cc1[N+](=O)[O-] ZINC000325665435 311243393 /nfs/dbraw/zinc/24/33/93/311243393.db2.gz CMKUQAIUUSBQRL-UHFFFAOYSA-N 0 0 329.356 2.814 10 5 EFBERN COc1cc(C(=O)N2CCCC[C@@H]2C(F)F)c([N+](=O)[O-])cc1OC ZINC000330406165 311316853 /nfs/dbraw/zinc/31/68/53/311316853.db2.gz NWZVALXXKHUIIV-SNVBAGLBSA-N 0 0 344.314 2.872 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000330718606 311330957 /nfs/dbraw/zinc/33/09/57/311330957.db2.gz WBBCKNPSMXDVLS-DAXOMENPSA-N 0 0 349.431 2.651 10 5 EFBERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000330749786 311332847 /nfs/dbraw/zinc/33/28/47/311332847.db2.gz HNIZVPCLRWHFQE-CYBMUJFWSA-N 0 0 347.415 2.608 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000330785116 311334744 /nfs/dbraw/zinc/33/47/44/311334744.db2.gz KZENXKVCCNUCRK-SECBINFHSA-N 0 0 344.314 2.836 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330836432 311337691 /nfs/dbraw/zinc/33/76/91/311337691.db2.gz IFEWZNMBJYFZJL-ZBFHGGJFSA-N 0 0 349.431 2.571 10 5 EFBERN C[C@H]1CCCN(c2ccc(C(=O)N(C)CC(C)(C)O)cc2[N+](=O)[O-])C1 ZINC000330978854 311346833 /nfs/dbraw/zinc/34/68/33/311346833.db2.gz IHGSNTAUDBLTEO-ZDUSSCGKSA-N 0 0 349.431 2.674 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000331018735 311348947 /nfs/dbraw/zinc/34/89/47/311348947.db2.gz IKXWIBNXSFJGGE-MGPQQGTHSA-N 0 0 340.445 2.834 10 5 EFBERN CC1(C)CCC[C@@](O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000331237649 311362576 /nfs/dbraw/zinc/36/25/76/311362576.db2.gz HTZGXIISPPOYDP-SFHVURJKSA-N 0 0 334.416 2.975 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000331258189 311363312 /nfs/dbraw/zinc/36/33/12/311363312.db2.gz FHOJJIQHWGVHPU-AWEZNQCLSA-N 0 0 339.823 2.969 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000344150713 311732310 /nfs/dbraw/zinc/73/23/10/311732310.db2.gz WQCPDUHKRHMFGZ-UHFFFAOYSA-N 0 0 326.352 2.901 10 5 EFBERN C[C@H]1C(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000348505576 311742835 /nfs/dbraw/zinc/74/28/35/311742835.db2.gz ZXUYHWKUZZSXRF-ZDUSSCGKSA-N 0 0 339.351 2.948 10 5 EFBERN C[C@H]1COCC[C@@H]1c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000350603971 311812165 /nfs/dbraw/zinc/81/21/65/311812165.db2.gz WFSVRXLEZINQJW-RYUDHWBXSA-N 0 0 332.360 2.754 10 5 EFBERN C[C@H]1COCC[C@@H]1c1noc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000350609514 311813306 /nfs/dbraw/zinc/81/33/06/311813306.db2.gz KAKLFHCCSCCAPL-WPRPVWTQSA-N 0 0 333.300 2.514 10 5 EFBERN Cc1nc2ccccc2n1CCc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000350765621 311822100 /nfs/dbraw/zinc/82/21/00/311822100.db2.gz UWLXVVPVCMJYFH-UHFFFAOYSA-N 0 0 338.327 2.874 10 5 EFBERN COc1ccc(O[C@H](C)c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1 ZINC000350904527 311832823 /nfs/dbraw/zinc/83/28/23/311832823.db2.gz BFDWSOHFUHSBLA-SECBINFHSA-N 0 0 345.315 2.527 10 5 EFBERN O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4cncs4)no3)cn2)cc1 ZINC000350923834 311834726 /nfs/dbraw/zinc/83/47/26/311834726.db2.gz NPAVWPNAEFCOOH-UHFFFAOYSA-N 0 0 340.324 2.954 10 5 EFBERN C[C@@H]1C[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CO1 ZINC000351158575 311859412 /nfs/dbraw/zinc/85/94/12/311859412.db2.gz NBKLVZKYWCQDFO-ZJUUUORDSA-N 0 0 330.344 2.895 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000351197633 311863604 /nfs/dbraw/zinc/86/36/04/311863604.db2.gz YMOBHGVJGBNAEK-NWDGAFQWSA-N 0 0 331.328 2.625 10 5 EFBERN C[C@@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)c1cncnc1 ZINC000351231275 311869225 /nfs/dbraw/zinc/86/92/25/311869225.db2.gz VIZXNHWLNQAMSI-LLVKDONJSA-N 0 0 340.343 2.574 10 5 EFBERN C[C@@H](c1ccnn1C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000351302762 311877607 /nfs/dbraw/zinc/87/76/07/311877607.db2.gz TVKMYNXXIXXPMO-NSHDSACASA-N 0 0 342.359 2.518 10 5 EFBERN Cn1ccnc1[C@@H](NC[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000353678660 311892107 /nfs/dbraw/zinc/89/21/07/311892107.db2.gz FDBJJXZZQMWPRT-CVEARBPZSA-N 0 0 344.415 2.965 10 5 EFBERN C[C@H]1COCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000362916118 311927894 /nfs/dbraw/zinc/92/78/94/311927894.db2.gz DXKPDYUIZITPKS-ZANVPECISA-N 0 0 346.305 2.902 10 5 EFBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000372809829 311942819 /nfs/dbraw/zinc/94/28/19/311942819.db2.gz JRVKMAZPWWBPTI-UHFFFAOYSA-N 0 0 348.746 2.939 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412856949 312025200 /nfs/dbraw/zinc/02/52/00/312025200.db2.gz YXXQXYGCENFDIS-CQSZACIVSA-N 0 0 345.399 2.520 10 5 EFBERN O=C(NCc1nnc(C2CC2)s1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000412887298 312030352 /nfs/dbraw/zinc/03/03/52/312030352.db2.gz XVXUWFJWQHJBPM-UHFFFAOYSA-N 0 0 343.368 2.735 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000412939634 312039319 /nfs/dbraw/zinc/03/93/19/312039319.db2.gz QLVIDKJJOSEXKP-RYUDHWBXSA-N 0 0 338.429 2.988 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@H]2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000412941341 312039917 /nfs/dbraw/zinc/03/99/17/312039917.db2.gz SBKUHOYBGKELIZ-OCCSQVGLSA-N 0 0 336.388 2.663 10 5 EFBERN O=C1C[C@@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)Oc2ccccc21 ZINC000413542298 312047911 /nfs/dbraw/zinc/04/79/11/312047911.db2.gz YDEUTZLBBFROHD-QGZVFWFLSA-N 0 0 325.324 2.604 10 5 EFBERN CC[C@H](C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)N1CCCC1=O ZINC000415291971 312125758 /nfs/dbraw/zinc/12/57/58/312125758.db2.gz GSTQGJUGFLTNHP-LSDHHAIUSA-N 0 0 333.388 2.563 10 5 EFBERN C[C@H](F)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486177 312192004 /nfs/dbraw/zinc/19/20/04/312192004.db2.gz DLWSSUHENVXTSO-ZETCQYMHSA-N 0 0 344.286 2.640 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@](C)(F)C2)c(C)cc1[N+](=O)[O-] ZINC000416486683 312192009 /nfs/dbraw/zinc/19/20/09/312192009.db2.gz GTZRWPGORXWLRA-CQSZACIVSA-N 0 0 330.381 2.724 10 5 EFBERN C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000416488369 312192195 /nfs/dbraw/zinc/19/21/95/312192195.db2.gz MLGKCVNCFSCJHO-YUMQZZPRSA-N 0 0 338.307 2.643 10 5 EFBERN C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000420583318 312373466 /nfs/dbraw/zinc/37/34/66/312373466.db2.gz KMWZEDGELMSOPN-LRDDRELGSA-N 0 0 341.367 2.660 10 5 EFBERN NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccn(C2CCCC2)n1 ZINC000420598571 312374734 /nfs/dbraw/zinc/37/47/34/312374734.db2.gz CFEVLHQLUPIMER-UHFFFAOYSA-N 0 0 329.360 2.617 10 5 EFBERN CC[C@H]1C[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000420640667 312377814 /nfs/dbraw/zinc/37/78/14/312377814.db2.gz RDHFMMAYJMTCOV-CVEARBPZSA-N 0 0 349.431 2.797 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CC34CCSCC4)c21 ZINC000420649552 312378842 /nfs/dbraw/zinc/37/88/42/312378842.db2.gz GJMXFKQPZWTDLI-LLVKDONJSA-N 0 0 330.413 2.905 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC23CCSCC3)n1 ZINC000420651606 312379264 /nfs/dbraw/zinc/37/92/64/312379264.db2.gz KJZNYUOOMVWSOQ-SNVBAGLBSA-N 0 0 337.401 2.722 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC12CCSCC2 ZINC000420656527 312379894 /nfs/dbraw/zinc/37/98/94/312379894.db2.gz URLDCGQPDBSZDZ-LLVKDONJSA-N 0 0 335.429 2.900 10 5 EFBERN C[C@@H](NC(=O)N1CC[C@@H](O)CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000420824060 312397447 /nfs/dbraw/zinc/39/74/47/312397447.db2.gz QHTNPIWOBHWUGO-IUODEOHRSA-N 0 0 333.388 2.745 10 5 EFBERN CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423741438 312447011 /nfs/dbraw/zinc/44/70/11/312447011.db2.gz JXYYLMLJLPIKJY-LBPRGKRZSA-N 0 0 327.768 2.671 10 5 EFBERN Cn1c([C@@H]2CCCS2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000424099080 312510917 /nfs/dbraw/zinc/51/09/17/312510917.db2.gz LQHBWCDWGFGIFO-AWEZNQCLSA-N 0 0 345.428 2.854 10 5 EFBERN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@H]1CCC[C@@H](F)C1 ZINC000425157030 312516505 /nfs/dbraw/zinc/51/65/05/312516505.db2.gz NRGHKONJDIQGTM-NWDGAFQWSA-N 0 0 332.335 2.874 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c2c(F)ccc3F)s1 ZINC000432260640 312552799 /nfs/dbraw/zinc/55/27/99/312552799.db2.gz YEELUNGWWPFVQX-UHFFFAOYSA-N 0 0 346.336 2.686 10 5 EFBERN O=C(NCCNc1ccnc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000432335702 312557327 /nfs/dbraw/zinc/55/73/27/312557327.db2.gz KRDHAZPFVSUKCQ-UHFFFAOYSA-N 0 0 336.351 2.985 10 5 EFBERN Cc1nc([C@@](C)(NC(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000432485726 312568681 /nfs/dbraw/zinc/56/86/81/312568681.db2.gz NRSXDLRFXUWKRO-HNNXBMFYSA-N 0 0 331.332 2.733 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3cc(F)c(Cl)cc3F)nn21 ZINC000432924057 312586337 /nfs/dbraw/zinc/58/63/37/312586337.db2.gz JLSVHNTYUSYKQT-UHFFFAOYSA-N 0 0 339.689 2.603 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000437418723 312610597 /nfs/dbraw/zinc/61/05/97/312610597.db2.gz HNUONBUGQBXCIG-UMSPYCQHSA-N 0 0 334.763 2.956 10 5 EFBERN CC(C)[C@@H]1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000447049393 312667962 /nfs/dbraw/zinc/66/79/62/312667962.db2.gz DWQRVNZFXHALKN-OAHLLOKOSA-N 0 0 347.415 2.550 10 5 EFBERN CC(C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447173956 312671772 /nfs/dbraw/zinc/67/17/72/312671772.db2.gz ZTZLNCMIWDNUST-JTQLQIEISA-N 0 0 332.809 2.915 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCc4c(F)cc(F)cc43)nn21 ZINC000450551162 312705371 /nfs/dbraw/zinc/70/53/71/312705371.db2.gz FFEWRZWSXDMNBM-ZDUSSCGKSA-N 0 0 345.309 2.827 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCCc2cnc3c(Cl)cnn3c2)n1 ZINC000450560450 312707969 /nfs/dbraw/zinc/70/79/69/312707969.db2.gz LCWHPJXQIOOKJL-UHFFFAOYSA-N 0 0 346.778 2.957 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000450564903 312709193 /nfs/dbraw/zinc/70/91/93/312709193.db2.gz NGRSQRNZTCLIPZ-LBPRGKRZSA-N 0 0 332.381 2.886 10 5 EFBERN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC2=CCCCC2)C1=O ZINC000450570272 312710579 /nfs/dbraw/zinc/71/05/79/312710579.db2.gz PQEOGZTWQFWYHD-QGZVFWFLSA-N 0 0 329.356 2.862 10 5 EFBERN Cc1cc(F)c(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1F ZINC000450631926 312725179 /nfs/dbraw/zinc/72/51/79/312725179.db2.gz IZQRJWZZQPRUCQ-UHFFFAOYSA-N 0 0 347.321 2.704 10 5 EFBERN Cc1ccc(F)c(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000450633155 312725506 /nfs/dbraw/zinc/72/55/06/312725506.db2.gz XCWZWFOSYYWXQI-UHFFFAOYSA-N 0 0 329.331 2.565 10 5 EFBERN CC1(C)OCC[C@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450635631 312726826 /nfs/dbraw/zinc/72/68/26/312726826.db2.gz BORPOJLGOIRTBQ-OAHLLOKOSA-N 0 0 343.383 2.970 10 5 EFBERN Cc1cc(N[C@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450650609 312730464 /nfs/dbraw/zinc/73/04/64/312730464.db2.gz RHTUZNFOFZGSCB-AWEZNQCLSA-N 0 0 328.372 2.762 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000450741403 312736273 /nfs/dbraw/zinc/73/62/73/312736273.db2.gz WYPBBXNHLBYEGI-WBMJQRKESA-N 0 0 335.404 2.818 10 5 EFBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1 ZINC000450757292 312739748 /nfs/dbraw/zinc/73/97/48/312739748.db2.gz MJYJJMHHQPNUGV-CYBMUJFWSA-N 0 0 344.289 2.865 10 5 EFBERN 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COc1ccc([C@@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])C(C)C)cc1 ZINC000068224757 472153834 /nfs/dbraw/zinc/15/38/34/472153834.db2.gz OULCQVVXJVXGRM-KRWDZBQOSA-N 0 0 346.387 2.622 10 5 EFBERN C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000042740002 472165193 /nfs/dbraw/zinc/16/51/93/472165193.db2.gz VSGMRFYVDVGUSI-RKDXNWHRSA-N 0 0 331.294 2.704 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000042800918 472171756 /nfs/dbraw/zinc/17/17/56/472171756.db2.gz VODGJGQSORYWBD-UHFFFAOYSA-N 0 0 345.746 2.529 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccn1CC(F)(F)F ZINC000075709951 472185391 /nfs/dbraw/zinc/18/53/91/472185391.db2.gz PLMUVCAEMKOVLO-UHFFFAOYSA-N 0 0 342.277 2.592 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000043149227 472206066 /nfs/dbraw/zinc/20/60/66/472206066.db2.gz JURTWEYMNQXMNQ-CYBMUJFWSA-N 0 0 343.339 2.865 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC(C)C)C1CC1 ZINC000028044442 472211143 /nfs/dbraw/zinc/21/11/43/472211143.db2.gz RMQGQSHQNWCWNK-UHFFFAOYSA-N 0 0 342.417 2.803 10 5 EFBERN O=C(N[C@H]1CCOc2ccccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000028064115 472212380 /nfs/dbraw/zinc/21/23/80/472212380.db2.gz KTVRNTPPUUKZKK-ZDUSSCGKSA-N 0 0 338.323 2.725 10 5 EFBERN Cc1ccc([C@@H](C)OC(=O)c2c(C)c(C)nn(C)c2=O)cc1[N+](=O)[O-] ZINC000084808160 472219989 /nfs/dbraw/zinc/21/99/89/472219989.db2.gz WGFIKRXZPPNTLY-GFCCVEGCSA-N 0 0 345.355 2.532 10 5 EFBERN O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc([N+](=O)[O-])cc1 ZINC000043465891 472235254 /nfs/dbraw/zinc/23/52/54/472235254.db2.gz XAFAUMIMSMHXOD-CYBMUJFWSA-N 0 0 329.312 2.556 10 5 EFBERN O=C1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1c1ccccc1 ZINC000068770064 472237991 /nfs/dbraw/zinc/23/79/91/472237991.db2.gz FEYXTQLODBPXDH-LLVKDONJSA-N 0 0 343.368 2.521 10 5 EFBERN Cc1cc(N[C@H]2CCc3ccccc32)c(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000076019609 472242282 /nfs/dbraw/zinc/24/22/82/472242282.db2.gz WGEWFFUQCNJJKO-ZDUSSCGKSA-N 0 0 347.396 2.650 10 5 EFBERN Cc1cc(N[C@@H]2CCc3ccccc32)c(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000076019606 472242424 /nfs/dbraw/zinc/24/24/24/472242424.db2.gz WGEWFFUQCNJJKO-CYBMUJFWSA-N 0 0 347.396 2.650 10 5 EFBERN CCC(C)(C)NC(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000055843203 472246896 /nfs/dbraw/zinc/24/68/96/472246896.db2.gz XTKXBWBGVGBAIP-UHFFFAOYSA-N 0 0 331.319 2.913 10 5 EFBERN O=c1[nH]cnc2cc(N3CCC[C@H](C(F)(F)F)C3)c([N+](=O)[O-])cc12 ZINC000029186092 472258835 /nfs/dbraw/zinc/25/88/35/472258835.db2.gz IUFJBEGBPUEWMZ-QMMMGPOBSA-N 0 0 342.277 2.610 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000056046288 472276197 /nfs/dbraw/zinc/27/61/97/472276197.db2.gz JGEQPQCGBCDVRI-ZDUSSCGKSA-N 0 0 340.383 2.652 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 ZINC000069034020 472280040 /nfs/dbraw/zinc/28/00/40/472280040.db2.gz DGKYNHZYKRPPQJ-UHFFFAOYSA-N 0 0 329.356 2.516 10 5 EFBERN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000044311107 472297256 /nfs/dbraw/zinc/29/72/56/472297256.db2.gz KWUZVJVRZRJWSC-UHFFFAOYSA-N 0 0 337.332 2.506 10 5 EFBERN CCn1ccnc1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000076292057 472315919 /nfs/dbraw/zinc/31/59/19/472315919.db2.gz DZZUMKRAJTWSEO-UHFFFAOYSA-N 0 0 349.822 2.787 10 5 EFBERN O=C(NCc1ccc(Cn2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000030221243 472319539 /nfs/dbraw/zinc/31/95/39/472319539.db2.gz LUBXAXGGGSOCMO-UHFFFAOYSA-N 0 0 336.351 2.770 10 5 EFBERN O=C(NC[C@H](CO)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000088404127 472361896 /nfs/dbraw/zinc/36/18/96/472361896.db2.gz BHBVOPWQQIVNQL-CYBMUJFWSA-N 0 0 334.759 2.754 10 5 EFBERN O=C(NC[C@H](CO)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000088405839 472362838 /nfs/dbraw/zinc/36/28/38/472362838.db2.gz QHEHCUIRQKYIDZ-CQSZACIVSA-N 0 0 339.351 2.582 10 5 EFBERN COc1ccc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000088547030 472372653 /nfs/dbraw/zinc/37/26/53/472372653.db2.gz LBXGXIJHJYGWHM-UHFFFAOYSA-N 0 0 340.332 2.852 10 5 EFBERN COc1ccc(F)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000088547059 472372821 /nfs/dbraw/zinc/37/28/21/472372821.db2.gz ICFWECLKXOIMJX-UHFFFAOYSA-N 0 0 340.332 2.852 10 5 EFBERN CC[C@H](NC(=O)N(CCCCO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000088608278 472377971 /nfs/dbraw/zinc/37/79/71/472377971.db2.gz SRXFPDXMLIIZBO-INIZCTEOSA-N 0 0 335.404 2.992 10 5 EFBERN COc1ccc(-n2cc(CNc3ccccc3[N+](=O)[O-])nn2)cc1 ZINC000088740809 472382516 /nfs/dbraw/zinc/38/25/16/472382516.db2.gz JQSYYTFIDHQMAO-UHFFFAOYSA-N 0 0 325.328 2.796 10 5 EFBERN COC(=O)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000089225290 472393348 /nfs/dbraw/zinc/39/33/48/472393348.db2.gz BYAJHTVAXUGUNQ-ZDUSSCGKSA-N 0 0 340.335 2.902 10 5 EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116353363 472394883 /nfs/dbraw/zinc/39/48/83/472394883.db2.gz UMRKCEJMRWKQTP-CQSZACIVSA-N 0 0 336.369 2.855 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2C(C)C)c1=O ZINC000096778103 472399743 /nfs/dbraw/zinc/39/97/43/472399743.db2.gz OODDSKRLOOUZJT-UHFFFAOYSA-N 0 0 329.356 2.827 10 5 EFBERN CC(C)OC(=O)COC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096931225 472400636 /nfs/dbraw/zinc/40/06/36/472400636.db2.gz NTJOYCXGVWFRCV-XQRVVYSFSA-N 0 0 327.720 2.756 10 5 EFBERN Cc1sc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000032032235 472408644 /nfs/dbraw/zinc/40/86/44/472408644.db2.gz POAOTQKQWNPGMY-UHFFFAOYSA-N 0 0 345.424 2.923 10 5 EFBERN COc1c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)nn1C ZINC000154290249 472412509 /nfs/dbraw/zinc/41/25/09/472412509.db2.gz LDGKUWBRRGDHKK-UHFFFAOYSA-N 0 0 330.388 2.810 10 5 EFBERN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000128285608 472429369 /nfs/dbraw/zinc/42/93/69/472429369.db2.gz DPUXPFUGCVNMLZ-LLVKDONJSA-N 0 0 337.339 2.871 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000128303083 472431518 /nfs/dbraw/zinc/43/15/18/472431518.db2.gz WGSXJKDZLHSONU-IAQYHMDHSA-N 0 0 327.340 2.593 10 5 EFBERN C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000089427706 472436301 /nfs/dbraw/zinc/43/63/01/472436301.db2.gz DIOOHYBTRDCRJI-IINYFYTJSA-N 0 0 347.396 2.561 10 5 EFBERN CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000128340179 472438311 /nfs/dbraw/zinc/43/83/11/472438311.db2.gz RTUINRXKUXGXBW-KRWDZBQOSA-N 0 0 326.352 2.833 10 5 EFBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccc(-n3cccn3)cc1)CC2 ZINC000097110190 472452953 /nfs/dbraw/zinc/45/29/53/472452953.db2.gz YXEHCDSMKCWHEO-UHFFFAOYSA-N 0 0 335.367 2.734 10 5 EFBERN CCOc1cccc(N2CCC[C@@H](c3nncn3CC)C2)c1[N+](=O)[O-] ZINC000097140834 472459476 /nfs/dbraw/zinc/45/94/76/472459476.db2.gz PUDHGXVVRMUBQZ-CYBMUJFWSA-N 0 0 345.403 2.989 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCc2ccccc2C1 ZINC000057708564 472465675 /nfs/dbraw/zinc/46/56/75/472465675.db2.gz OLCJXZRWWUVBOQ-OAHLLOKOSA-N 0 0 346.408 2.739 10 5 EFBERN COc1cc(N2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000089602006 472467981 /nfs/dbraw/zinc/46/79/81/472467981.db2.gz TVUUAXZALYGQKA-QGZVFWFLSA-N 0 0 330.340 2.887 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](c2cn[nH]c2)C1 ZINC000097162504 472469737 /nfs/dbraw/zinc/46/97/37/472469737.db2.gz BZCUHPCRXDNCMI-NSHDSACASA-N 0 0 334.763 2.991 10 5 EFBERN Cn1c(CO)nnc1Sc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000097163627 472469887 /nfs/dbraw/zinc/46/98/87/472469887.db2.gz SRIXRWKMCGTYIC-UHFFFAOYSA-N 0 0 335.172 2.674 10 5 EFBERN Cn1cc([C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000117675025 472474106 /nfs/dbraw/zinc/47/41/06/472474106.db2.gz DXCZZMOVGJBINJ-GFCCVEGCSA-N 0 0 348.790 2.540 10 5 EFBERN CCn1c2ccc(F)cc2nc1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128631241 472477774 /nfs/dbraw/zinc/47/77/74/472477774.db2.gz PNLFWMNOHPPSLF-UHFFFAOYSA-N 0 0 330.319 2.622 10 5 EFBERN NC(=O)c1[nH]nc2ccc(Nc3c(F)cc([N+](=O)[O-])cc3F)cc21 ZINC000089651949 472479696 /nfs/dbraw/zinc/47/96/96/472479696.db2.gz HDCQGFJVUVTTSG-UHFFFAOYSA-N 0 0 333.254 2.592 10 5 EFBERN NC(=O)c1[nH]nc2ccc(Nc3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000089651852 472480395 /nfs/dbraw/zinc/48/03/95/472480395.db2.gz MRKPLRWBUJONMH-UHFFFAOYSA-N 0 0 331.719 2.967 10 5 EFBERN CCOC(=O)CC[C@@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000089656755 472481301 /nfs/dbraw/zinc/48/13/01/472481301.db2.gz APLFZRCEEMUAJB-MRVPVSSYSA-N 0 0 346.181 2.896 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cn(Cc2cc3ccccc3s2)c1=O ZINC000097235241 472485920 /nfs/dbraw/zinc/48/59/20/472485920.db2.gz LEGSPTVUAOBKHF-UHFFFAOYSA-N 0 0 344.348 2.806 10 5 EFBERN Cc1cc(NC(=O)COCC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000097378935 472494364 /nfs/dbraw/zinc/49/43/64/472494364.db2.gz SDJURKXFMULCFE-UHFFFAOYSA-N 0 0 343.261 2.969 10 5 EFBERN CC(C)Cc1noc(CCCNc2nc3ccccn3c2[N+](=O)[O-])n1 ZINC000057991346 472496656 /nfs/dbraw/zinc/49/66/56/472496656.db2.gz WHHNKYLCZDWHJZ-UHFFFAOYSA-N 0 0 344.375 2.869 10 5 EFBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000155034141 472498933 /nfs/dbraw/zinc/49/89/33/472498933.db2.gz ANVJBMNAZOUQIN-ZDUSSCGKSA-N 0 0 328.368 2.933 10 5 EFBERN CC(C)CCn1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)nn1 ZINC000128811819 472499645 /nfs/dbraw/zinc/49/96/45/472499645.db2.gz SFERNDUCHTZBNB-GFCCVEGCSA-N 0 0 343.387 2.824 10 5 EFBERN Cc1sc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC000097700370 472505946 /nfs/dbraw/zinc/50/59/46/472505946.db2.gz JODNGJQDKMMMRR-UHFFFAOYSA-N 0 0 333.325 2.548 10 5 EFBERN Cc1cc(C)n2nc(CCCNc3ncccc3[N+](=O)[O-])cc2n1 ZINC000058162558 472510287 /nfs/dbraw/zinc/51/02/87/472510287.db2.gz HIYMCUCPSJLPIW-UHFFFAOYSA-N 0 0 326.360 2.694 10 5 EFBERN O=C1CCCCN1CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000118852370 472511698 /nfs/dbraw/zinc/51/16/98/472511698.db2.gz ICFQHZHDHPJPKM-UHFFFAOYSA-N 0 0 337.445 2.881 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000089826149 472517758 /nfs/dbraw/zinc/51/77/58/472517758.db2.gz UZMFWAIHKYSXIW-UONOGXRCSA-N 0 0 330.340 2.916 10 5 EFBERN Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c1[N+](=O)[O-] 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CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074067 473187805 /nfs/dbraw/zinc/18/78/05/473187805.db2.gz TXYRIUZJQMEWCX-GFCCVEGCSA-N 0 0 336.392 2.826 10 5 EFBERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000095075270 473187841 /nfs/dbraw/zinc/18/78/41/473187841.db2.gz LNIMTHJRWKFJBQ-ZDUSSCGKSA-N 0 0 336.392 2.826 10 5 EFBERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ncccc1[N+](=O)[O-] ZINC000095075287 473188854 /nfs/dbraw/zinc/18/88/54/473188854.db2.gz SVFIZUMRXFTSRU-GFCCVEGCSA-N 0 0 336.392 2.826 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2Oc2ccccc2)c1[N+](=O)[O-] ZINC000095396731 473196871 /nfs/dbraw/zinc/19/68/71/473196871.db2.gz LXPRZOOPANHENJ-KBPBESRZSA-N 0 0 344.371 2.746 10 5 EFBERN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC12CCC2 ZINC000081416172 473197452 /nfs/dbraw/zinc/19/74/52/473197452.db2.gz IXLANIAIVRVBDV-UHFFFAOYSA-N 0 0 329.400 2.966 10 5 EFBERN Cc1nn(C)c(NC[C@@H](CO)Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000095403348 473198064 /nfs/dbraw/zinc/19/80/64/473198064.db2.gz AMSGSMOAVORBKY-NSHDSACASA-N 0 0 338.795 2.553 10 5 EFBERN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000095433858 473203572 /nfs/dbraw/zinc/20/35/72/473203572.db2.gz XKTQAAYGWLQMLL-LLVKDONJSA-N 0 0 340.426 2.879 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000137339818 473203732 /nfs/dbraw/zinc/20/37/32/473203732.db2.gz YKKAPTVCPKUYDX-JQWIXIFHSA-N 0 0 331.376 2.618 10 5 EFBERN Cc1c(CC(=O)Nc2cccc3c2OCC[C@@H]3O)cccc1[N+](=O)[O-] ZINC000185315695 473393230 /nfs/dbraw/zinc/39/32/30/473393230.db2.gz VTDHVCRFYGCCNC-INIZCTEOSA-N 0 0 342.351 2.900 10 5 EFBERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000171462801 473393724 /nfs/dbraw/zinc/39/37/24/473393724.db2.gz SIRALHKHPHWWEA-CYBMUJFWSA-N 0 0 348.399 2.918 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1OCC[C@@H]2O ZINC000185353468 473402534 /nfs/dbraw/zinc/40/25/34/473402534.db2.gz YGYRMEISUGLRAM-HNNXBMFYSA-N 0 0 328.324 2.592 10 5 EFBERN CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2ccccc2O1 ZINC000185376336 473409527 /nfs/dbraw/zinc/40/95/27/473409527.db2.gz LHIHSWAPDQBEFO-CYBMUJFWSA-N 0 0 342.355 2.604 10 5 EFBERN Cc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc([N+](=O)[O-])c1 ZINC000185377161 473409890 /nfs/dbraw/zinc/40/98/90/473409890.db2.gz FWYBSVPSLVJSPT-HNNXBMFYSA-N 0 0 328.324 2.971 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113895066 473421504 /nfs/dbraw/zinc/42/15/04/473421504.db2.gz VRBLNISADVPBKZ-OAHLLOKOSA-N 0 0 343.387 2.874 10 5 EFBERN O=C1C[C@@H](c2ccccc2)N(Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000171631389 473425349 /nfs/dbraw/zinc/42/53/49/473425349.db2.gz MCGNNDCTXFSETJ-KRWDZBQOSA-N 0 0 343.358 2.797 10 5 EFBERN COC(C)(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125548361 473426355 /nfs/dbraw/zinc/42/63/55/473426355.db2.gz QZYYRCOJXVVKNK-SNVBAGLBSA-N 0 0 330.406 2.614 10 5 EFBERN CC(C)(C)OC(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC000114013017 473432172 /nfs/dbraw/zinc/43/21/72/473432172.db2.gz SSZPBLFGOJYBBA-UHFFFAOYSA-N 0 0 343.330 2.930 10 5 EFBERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000151257034 473432422 /nfs/dbraw/zinc/43/24/22/473432422.db2.gz KDRBVVZOUZWYGO-NSHDSACASA-N 0 0 349.778 2.667 10 5 EFBERN CC[C@H](NC(=O)CCCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000177787475 473435745 /nfs/dbraw/zinc/43/57/45/473435745.db2.gz AKUIEQASBWBHGJ-AWEZNQCLSA-N 0 0 332.360 2.876 10 5 EFBERN CC[C@H](NC(=O)CCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177795640 473436178 /nfs/dbraw/zinc/43/61/78/473436178.db2.gz FUSIZDCRTJUXRV-HOTGVXAUSA-N 0 0 336.388 2.748 10 5 EFBERN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCCOC2)CC1 ZINC000171696120 473440649 /nfs/dbraw/zinc/44/06/49/473440649.db2.gz JVUJZOMCZZPRKQ-AWEZNQCLSA-N 0 0 347.415 2.740 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)c1ccncc1 ZINC000114134807 473443250 /nfs/dbraw/zinc/44/32/50/473443250.db2.gz VVNQRAHPENLJPS-INIZCTEOSA-N 0 0 341.367 2.745 10 5 EFBERN Cc1nc(SCCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000177858134 473444562 /nfs/dbraw/zinc/44/45/62/473444562.db2.gz CMDKTBKDWVIVAG-JTQLQIEISA-N 0 0 349.416 2.689 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177867431 473446203 /nfs/dbraw/zinc/44/62/03/473446203.db2.gz GABMBPQHEIUBSN-SJKOYZFVSA-N 0 0 349.387 2.762 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000177876475 473446266 /nfs/dbraw/zinc/44/62/66/473446266.db2.gz GZQFRYFXYPRRDS-OCCSQVGLSA-N 0 0 328.372 2.855 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171721799 473447667 /nfs/dbraw/zinc/44/76/67/473447667.db2.gz WWTYXVZVAVVQFP-NSHDSACASA-N 0 0 332.385 2.775 10 5 EFBERN CCC(=O)N[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163512418 473450275 /nfs/dbraw/zinc/45/02/75/473450275.db2.gz UPIXVJCCJXLYNE-LLVKDONJSA-N 0 0 325.796 2.739 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000151391458 473451272 /nfs/dbraw/zinc/45/12/72/473451272.db2.gz GABSVFGJSJLAGK-INIZCTEOSA-N 0 0 345.399 2.567 10 5 EFBERN CCc1n[nH]c(C(=O)NCCc2c[nH]c3cccc(C)c23)c1[N+](=O)[O-] ZINC000171809462 473463208 /nfs/dbraw/zinc/46/32/08/473463208.db2.gz XEWMFSCEBMPVBX-UHFFFAOYSA-N 0 0 341.371 2.643 10 5 EFBERN C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2ccccc21 ZINC000185595692 473463948 /nfs/dbraw/zinc/46/39/48/473463948.db2.gz GMGZGEYLWYVCPR-BMIGLBTASA-N 0 0 326.356 2.940 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000171817390 473463916 /nfs/dbraw/zinc/46/39/16/473463916.db2.gz QEZQHQMBMPUSHJ-SNVBAGLBSA-N 0 0 347.400 2.603 10 5 EFBERN O=C(Nc1nccs1)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000114472179 473471916 /nfs/dbraw/zinc/47/19/16/473471916.db2.gz PCEZBXYANGPRSK-CYBMUJFWSA-N 0 0 332.385 2.654 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151593048 473475292 /nfs/dbraw/zinc/47/52/92/473475292.db2.gz MTZQAVSWEXNHIC-CRAIPNDOSA-N 0 0 332.400 2.681 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151593184 473475778 /nfs/dbraw/zinc/47/57/78/473475778.db2.gz MTZQAVSWEXNHIC-MAUKXSAKSA-N 0 0 332.400 2.681 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccccc1O ZINC000151587751 473476216 /nfs/dbraw/zinc/47/62/16/473476216.db2.gz OZDSPVMPTBEMED-UHFFFAOYSA-N 0 0 334.759 2.855 10 5 EFBERN CC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)OCCCO1 ZINC000191094802 473477047 /nfs/dbraw/zinc/47/70/47/473477047.db2.gz QNTDSPFXINFZAW-UHFFFAOYSA-N 0 0 336.369 2.692 10 5 EFBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000114498803 473477307 /nfs/dbraw/zinc/47/73/07/473477307.db2.gz GARVIHSLQLOZMB-UHFFFAOYSA-N 0 0 346.455 2.974 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000185648720 473477355 /nfs/dbraw/zinc/47/73/55/473477355.db2.gz JCFITZHVLHAYRF-UHFFFAOYSA-N 0 0 325.368 2.866 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000114630655 473486718 /nfs/dbraw/zinc/48/67/18/473486718.db2.gz LZQKBGTZXGCNDM-SNVBAGLBSA-N 0 0 349.416 2.747 10 5 EFBERN CCc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000178337081 473493998 /nfs/dbraw/zinc/49/39/98/473493998.db2.gz KJYACMSSWVNZHW-WBVHZDCISA-N 0 0 326.352 2.545 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000185730819 473499619 /nfs/dbraw/zinc/49/96/19/473499619.db2.gz DVSUWZYOWHDENC-CABCVRRESA-N 0 0 336.344 2.568 10 5 EFBERN CCO[C@H]1C[C@@H](Nc2cccc(OC)c2[N+](=O)[O-])C12CCOCC2 ZINC000185735979 473500658 /nfs/dbraw/zinc/50/06/58/473500658.db2.gz UCNXYHXBQGVQQO-CABCVRRESA-N 0 0 336.388 2.990 10 5 EFBERN CCO[C@H]1C[C@H](Nc2cccc(OC)c2[N+](=O)[O-])C12CCOCC2 ZINC000185735936 473500883 /nfs/dbraw/zinc/50/08/83/473500883.db2.gz UCNXYHXBQGVQQO-GJZGRUSLSA-N 0 0 336.388 2.990 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000151858888 473501256 /nfs/dbraw/zinc/50/12/56/473501256.db2.gz GKEIZFDMKZHLGG-NSHDSACASA-N 0 0 329.278 2.722 10 5 EFBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1COc1ccc(F)cc1F ZINC000164898741 473501348 /nfs/dbraw/zinc/50/13/48/473501348.db2.gz INZBNOMLSJNZOD-UHFFFAOYSA-N 0 0 347.277 2.699 10 5 EFBERN COc1cccc([C@H]2CN(c3nc(C)ccc3[N+](=O)[O-])CCO2)c1 ZINC000178403318 473506925 /nfs/dbraw/zinc/50/69/25/473506925.db2.gz DIUWDSKIMGDUPD-MRXNPFEDSA-N 0 0 329.356 2.885 10 5 EFBERN CCOC(=O)[C@H](C)[C@H](C)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185781665 473512734 /nfs/dbraw/zinc/51/27/34/473512734.db2.gz JJKBJSYMGYVDAR-NQYVGZPUSA-N 0 0 334.372 2.702 10 5 EFBERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185806092 473518813 /nfs/dbraw/zinc/51/88/13/473518813.db2.gz RPENDJIXEUQCAR-NWDGAFQWSA-N 0 0 349.412 2.952 10 5 EFBERN COC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000178487258 473521373 /nfs/dbraw/zinc/52/13/73/473521373.db2.gz OVJWBHRZECBCSK-AWEZNQCLSA-N 0 0 346.305 2.999 10 5 EFBERN CC(C)(C)Oc1cc(N2CCO[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000613579027 480044084 /nfs/dbraw/zinc/04/40/84/480044084.db2.gz VRWMAQDUALROSM-KRWDZBQOSA-N 0 0 336.388 2.768 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166553716 473528561 /nfs/dbraw/zinc/52/85/61/473528561.db2.gz DOJCYUXPIRNTAH-LSDHHAIUSA-N 0 0 343.431 2.956 10 5 EFBERN CC(C)c1ccnc(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000185864941 473532688 /nfs/dbraw/zinc/53/26/88/473532688.db2.gz BBKNXZXUNOOUOJ-UHFFFAOYSA-N 0 0 347.444 2.892 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](c2ccc(F)cc2)O1 ZINC000152282523 473544231 /nfs/dbraw/zinc/54/42/31/473544231.db2.gz GYGLVFUESDSMIN-QMTHXVAHSA-N 0 0 334.303 2.929 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)n1 ZINC000191475419 473544747 /nfs/dbraw/zinc/54/47/47/473544747.db2.gz ABSPCPWUCMITOF-UHFFFAOYSA-N 0 0 332.345 2.515 10 5 EFBERN COCc1csc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000115244457 473547171 /nfs/dbraw/zinc/54/71/71/473547171.db2.gz AYNJSABNIQCEHW-UHFFFAOYSA-N 0 0 339.398 2.929 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000185931855 473551033 /nfs/dbraw/zinc/55/10/33/473551033.db2.gz JLXFOWJCRRJJRW-HUUCEWRRSA-N 0 0 349.387 2.691 10 5 EFBERN Cc1cc(N2CCN(C3CC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000191533840 473551668 /nfs/dbraw/zinc/55/16/68/473551668.db2.gz DRWRPOZDPTZSQV-UHFFFAOYSA-N 0 0 340.221 2.950 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191534323 473551898 /nfs/dbraw/zinc/55/18/98/473551898.db2.gz LJCQQJAOTFEMSJ-VIFPVBQESA-N 0 0 336.298 2.616 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccco3)cs2)n1 ZINC000191537522 473552081 /nfs/dbraw/zinc/55/20/81/473552081.db2.gz YMPXLOZMYMIFBH-UHFFFAOYSA-N 0 0 333.329 2.780 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC(F)F)c2)n1 ZINC000191539136 473552107 /nfs/dbraw/zinc/55/21/07/473552107.db2.gz LFIWCENFUURWGE-UHFFFAOYSA-N 0 0 326.259 2.665 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCc2ccc(OC)cc2)n1 ZINC000191578480 473556789 /nfs/dbraw/zinc/55/67/89/473556789.db2.gz WMBSDLFIPZSKST-GFCCVEGCSA-N 0 0 346.387 2.571 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCCC3)nc2)n1 ZINC000191591934 473557825 /nfs/dbraw/zinc/55/78/25/473557825.db2.gz WFRTUWDXIMIJAY-UHFFFAOYSA-N 0 0 345.359 2.780 10 5 EFBERN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])c(C(F)(F)F)n1)c1cccs1 ZINC000170596263 473559794 /nfs/dbraw/zinc/55/97/94/473559794.db2.gz UWTMDNYZEXIMJN-ZETCQYMHSA-N 0 0 348.306 2.749 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2cccc(F)c2)n1 ZINC000191622165 473560581 /nfs/dbraw/zinc/56/05/81/473560581.db2.gz JKCQLDOSHSEUCL-UHFFFAOYSA-N 0 0 334.351 2.658 10 5 EFBERN Cc1sc(C(=O)N2CC[C@@H](OCc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000172252231 473561984 /nfs/dbraw/zinc/56/19/84/473561984.db2.gz QASOBZFIQIHCJR-CYBMUJFWSA-N 0 0 347.396 2.791 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000191625019 473562147 /nfs/dbraw/zinc/56/21/47/473562147.db2.gz MHZVRHXBYWYTQA-GJZGRUSLSA-N 0 0 342.399 2.952 10 5 EFBERN CC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178784678 473562748 /nfs/dbraw/zinc/56/27/48/473562748.db2.gz OKEMHPCUCMKBKM-UHFFFAOYSA-N 0 0 345.321 2.668 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CN(C)c3ccccc32)n1 ZINC000191636871 473563070 /nfs/dbraw/zinc/56/30/70/473563070.db2.gz VHTJFEOQCWXLFT-GFCCVEGCSA-N 0 0 343.387 2.544 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000170610271 473565164 /nfs/dbraw/zinc/56/51/64/473565164.db2.gz ZMIBPXNLCIDURG-SECBINFHSA-N 0 0 341.795 2.590 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632672 473570139 /nfs/dbraw/zinc/57/01/39/473570139.db2.gz FZTYTGIYZARSBS-UHFFFAOYSA-N 0 0 340.295 2.906 10 5 EFBERN CCNC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000152514298 473571901 /nfs/dbraw/zinc/57/19/01/473571901.db2.gz SPDBHKGXCHUCEJ-JTQLQIEISA-N 0 0 346.309 2.829 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCSC[C@@H]1c1cnn(C)c1 ZINC000191751982 473574770 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EFBERN Cc1cc(=O)n(CCCN(CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000180324432 473852742 /nfs/dbraw/zinc/85/27/42/473852742.db2.gz VIGLWZWMCIGVLG-UHFFFAOYSA-N 0 0 335.326 2.728 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2cccc(Cl)c2F)n1 ZINC000274504691 473853414 /nfs/dbraw/zinc/85/34/14/473853414.db2.gz VYPDLMMGWYZKFS-UHFFFAOYSA-N 0 0 340.742 2.786 10 5 EFBERN O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281841636 473855507 /nfs/dbraw/zinc/85/55/07/473855507.db2.gz IYELYBPDXWMHLQ-CYBMUJFWSA-N 0 0 327.388 2.907 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000173503210 473858965 /nfs/dbraw/zinc/85/89/65/473858965.db2.gz XDGXCVFXOWDEDR-MRVPVSSYSA-N 0 0 336.417 2.676 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194313426 473878376 /nfs/dbraw/zinc/87/83/76/473878376.db2.gz AISYUCNZDZJKSQ-LLVKDONJSA-N 0 0 345.403 2.548 10 5 EFBERN COc1cc(C)c([C@@H](C)OC(=O)c2nn(C)cc2[N+](=O)[O-])cc1C ZINC000274570817 473879062 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/nfs/dbraw/zinc/95/34/96/477953496.db2.gz LCDIYJJPSYDTCK-LSDHHAIUSA-N 0 0 347.415 2.915 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)NCC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421106264 477964834 /nfs/dbraw/zinc/96/48/34/477964834.db2.gz FKNHOXAWQYDWPD-UHFFFAOYSA-N 0 0 348.403 2.669 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000464991680 477967427 /nfs/dbraw/zinc/96/74/27/477967427.db2.gz CKEKFRQIRHIRCJ-JSGCOSHPSA-N 0 0 349.387 2.507 10 5 EFBERN COc1ccc(CN2CC(OC)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000459553370 477970150 /nfs/dbraw/zinc/97/01/50/477970150.db2.gz GDLNDVORWFJINF-UHFFFAOYSA-N 0 0 328.368 2.961 10 5 EFBERN CCCc1ncc(CNC(=O)CSc2ccccc2[N+](=O)[O-])o1 ZINC000456540613 477974136 /nfs/dbraw/zinc/97/41/36/477974136.db2.gz WFKOAXFGQIYKRN-UHFFFAOYSA-N 0 0 335.385 2.944 10 5 EFBERN COC(=O)c1oc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000559503742 477986772 /nfs/dbraw/zinc/98/67/72/477986772.db2.gz YBLIMPCGRIINMK-UHFFFAOYSA-N 0 0 330.340 2.841 10 5 EFBERN O=c1cc(NCc2cccc([N+](=O)[O-])c2)cnn1Cc1ccccc1 ZINC000532795901 477992604 /nfs/dbraw/zinc/99/26/04/477992604.db2.gz ZBYWYESHZFHTRX-UHFFFAOYSA-N 0 0 336.351 2.812 10 5 EFBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532863088 477996527 /nfs/dbraw/zinc/99/65/27/477996527.db2.gz GAYOIAOKDOINRB-MRVPVSSYSA-N 0 0 328.271 2.631 10 5 EFBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456595375 477999688 /nfs/dbraw/zinc/99/96/88/477999688.db2.gz UNMFANBGZKEMBJ-ZDUSSCGKSA-N 0 0 329.312 2.656 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCN(Cc2ccccc2)CC1 ZINC000516892380 478005676 /nfs/dbraw/zinc/00/56/76/478005676.db2.gz IYHDWHNPONKOCY-UHFFFAOYSA-N 0 0 327.384 2.926 10 5 EFBERN CC1(C2(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)CC1 ZINC000456648427 478022933 /nfs/dbraw/zinc/02/29/33/478022933.db2.gz OSFWAVANGAELSL-UHFFFAOYSA-N 0 0 326.356 2.843 10 5 EFBERN COCC1(c2noc(-c3cc([N+](=O)[O-])c(C)cc3C)n2)CCOCC1 ZINC000421264196 478023468 /nfs/dbraw/zinc/02/34/68/478023468.db2.gz IAEYPGNUTVRDAA-UHFFFAOYSA-N 0 0 347.371 2.956 10 5 EFBERN O=C(CCCC(=O)C1CC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000517011467 478032866 /nfs/dbraw/zinc/03/28/66/478032866.db2.gz BWKINVVEJOJSEN-UHFFFAOYSA-N 0 0 343.383 2.884 10 5 EFBERN CCC[C@]1(CO)CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487497028 478037085 /nfs/dbraw/zinc/03/70/85/478037085.db2.gz DPTMEMOJBRMXRV-MRXNPFEDSA-N 0 0 342.342 2.569 10 5 EFBERN Cc1csc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C(F)(F)F)n1 ZINC000560327119 478044193 /nfs/dbraw/zinc/04/41/93/478044193.db2.gz DVVDEGKJAPEBAS-SECBINFHSA-N 0 0 346.290 2.788 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439914277 478047625 /nfs/dbraw/zinc/04/76/25/478047625.db2.gz VJQHOLHMZKPELP-KBPBESRZSA-N 0 0 343.383 2.965 10 5 EFBERN Cc1nn(C)c(C)c1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000560343736 478049167 /nfs/dbraw/zinc/04/91/67/478049167.db2.gz VUUFCPMIZNWFRM-JTQLQIEISA-N 0 0 331.376 2.774 10 5 EFBERN Cc1nn(C)c(C)c1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000560343737 478049326 /nfs/dbraw/zinc/04/93/26/478049326.db2.gz VUUFCPMIZNWFRM-SNVBAGLBSA-N 0 0 331.376 2.774 10 5 EFBERN CNc1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000517165692 478057781 /nfs/dbraw/zinc/05/77/81/478057781.db2.gz MCGCETUEKAKAAU-UHFFFAOYSA-N 0 0 340.339 2.626 10 5 EFBERN Cc1ccc(C(=O)N(C)c2ccc(C(F)(F)F)nn2)cc1[N+](=O)[O-] ZINC000517214314 478061802 /nfs/dbraw/zinc/06/18/02/478061802.db2.gz AUJMHFNSCDTXRB-UHFFFAOYSA-N 0 0 340.261 2.989 10 5 EFBERN CCc1ccc(S(=O)(=O)NCCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000517232535 478067369 /nfs/dbraw/zinc/06/73/69/478067369.db2.gz BRQGEPNOFZKEAD-UHFFFAOYSA-N 0 0 330.381 2.718 10 5 EFBERN CCC1(CC)C(=O)N(C)C(=O)N(Cc2cccc([N+](=O)[O-])c2C)C1=O ZINC000487889457 478082785 /nfs/dbraw/zinc/08/27/85/478082785.db2.gz SOSBCFOEIPWETB-UHFFFAOYSA-N 0 0 347.371 2.630 10 5 EFBERN CC(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)cc1 ZINC000517371689 478085225 /nfs/dbraw/zinc/08/52/25/478085225.db2.gz XEJNTUNYKOGPJC-UHFFFAOYSA-N 0 0 333.319 2.658 10 5 EFBERN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC12CC2)c1ccccc1[N+](=O)[O-] ZINC000421432531 478086291 /nfs/dbraw/zinc/08/62/91/478086291.db2.gz ZYFVGYHZVZCQKF-KBPBESRZSA-N 0 0 346.383 2.894 10 5 EFBERN Cc1cc(F)ccc1CN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000487970746 478096511 /nfs/dbraw/zinc/09/65/11/478096511.db2.gz LPXJRTAOPMLDNG-UHFFFAOYSA-N 0 0 331.347 2.773 10 5 EFBERN O=C(CN1CC2CC1(C(F)(F)F)C2)Nc1ccccc1[N+](=O)[O-] ZINC000459805012 478102168 /nfs/dbraw/zinc/10/21/68/478102168.db2.gz LBJJNHXJXVAYQT-UHFFFAOYSA-N 0 0 329.278 2.560 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC2CC1(C(F)(F)F)C2 ZINC000459813413 478107189 /nfs/dbraw/zinc/10/71/89/478107189.db2.gz SRXLRFPSFFIOFF-UHFFFAOYSA-N 0 0 343.305 2.868 10 5 EFBERN COC(=O)c1cnc(N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000421490811 478108146 /nfs/dbraw/zinc/10/81/46/478108146.db2.gz MFROKYFOAZNAIJ-UHFFFAOYSA-N 0 0 349.368 2.731 10 5 EFBERN Cc1sc(S(=O)(=O)NCCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000451609204 478122400 /nfs/dbraw/zinc/12/24/00/478122400.db2.gz PRFDNOJRESOWNK-UHFFFAOYSA-N 0 0 328.362 2.678 10 5 EFBERN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000495125905 478127319 /nfs/dbraw/zinc/12/73/19/478127319.db2.gz AQSZLZWIBOJNSB-UHFFFAOYSA-N 0 0 344.367 2.975 10 5 EFBERN CCN(CC)C(=O)[C@@H]1CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272837 478133876 /nfs/dbraw/zinc/13/38/76/478133876.db2.gz MWZOQNBULGSXDI-INIZCTEOSA-N 0 0 342.399 2.980 10 5 EFBERN Cc1ccc(NCCCNC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000495199100 478139374 /nfs/dbraw/zinc/13/93/74/478139374.db2.gz BJODHUXYGMMHIJ-YWVIFJGQSA-N 0 0 332.404 2.803 10 5 EFBERN C[C@](O)(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000488355591 478141728 /nfs/dbraw/zinc/14/17/28/478141728.db2.gz XWWPPMNWQZSNSI-CYBMUJFWSA-N 0 0 343.177 2.847 10 5 EFBERN C[C@@H]1C[C@@H]1c1ccc(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)o1 ZINC000561128434 478155688 /nfs/dbraw/zinc/15/56/88/478155688.db2.gz DYKIBMFQTJBOQT-SKDRFNHKSA-N 0 0 340.339 2.994 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3ccc(C4CC4)cc3F)nn21 ZINC000488531621 478158565 /nfs/dbraw/zinc/15/85/65/478158565.db2.gz MHRDRFMYVOECQZ-UHFFFAOYSA-N 0 0 327.319 2.688 10 5 EFBERN COC(=O)c1cc(C)nc(NCCCc2cccs2)c1[N+](=O)[O-] ZINC000561250155 478171485 /nfs/dbraw/zinc/17/14/85/478171485.db2.gz GAGBCSKTRCMQLR-UHFFFAOYSA-N 0 0 335.385 2.613 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC(Oc3cnccn3)CC2)c(F)c1 ZINC000488752588 478178532 /nfs/dbraw/zinc/17/85/32/478178532.db2.gz YIQXUPHCNYFZGI-UHFFFAOYSA-N 0 0 332.335 2.567 10 5 EFBERN Cc1ccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000440977320 478181486 /nfs/dbraw/zinc/18/14/86/478181486.db2.gz DJAZXYSXTFSXAD-CYBMUJFWSA-N 0 0 326.352 2.833 10 5 EFBERN Cc1cc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000440974439 478182038 /nfs/dbraw/zinc/18/20/38/478182038.db2.gz BQHHNYVVAFCWLA-CYBMUJFWSA-N 0 0 326.352 2.833 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)n1 ZINC000561425116 478184182 /nfs/dbraw/zinc/18/41/82/478184182.db2.gz DNFFWVNBEWWKEA-QGZVFWFLSA-N 0 0 340.427 2.970 10 5 EFBERN CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000561434676 478184685 /nfs/dbraw/zinc/18/46/85/478184685.db2.gz DHXNSIFMOUFCOX-DGCLKSJQSA-N 0 0 341.433 2.836 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000451759156 478192719 /nfs/dbraw/zinc/19/27/19/478192719.db2.gz DAMRKPDDIXQRBZ-CXUGXGMPSA-N 0 0 348.424 2.736 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451766762 478195765 /nfs/dbraw/zinc/19/57/65/478195765.db2.gz SSNXSPMIYQMATK-FHIRATQRSA-N 0 0 348.424 2.736 10 5 EFBERN COC(=O)c1cc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000488951877 478204674 /nfs/dbraw/zinc/20/46/74/478204674.db2.gz SVCCYMKNXYNRLM-LLVKDONJSA-N 0 0 342.298 2.689 10 5 EFBERN O=C(CN1CCOCC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000451817950 478215088 /nfs/dbraw/zinc/21/50/88/478215088.db2.gz UUUSUOANRQHKQI-UHFFFAOYSA-N 0 0 333.388 2.568 10 5 EFBERN C[C@@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000495525570 478218514 /nfs/dbraw/zinc/21/85/14/478218514.db2.gz NKJTXEYLCZVTRJ-BXUZGUMPSA-N 0 0 349.387 2.781 10 5 EFBERN Cc1nc(-c2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])s2)cs1 ZINC000535711106 478220384 /nfs/dbraw/zinc/22/03/84/478220384.db2.gz DNLJMVYAYRRLDH-UHFFFAOYSA-N 0 0 349.397 2.741 10 5 EFBERN CC1(C)[C@@H](O)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000562281505 478226969 /nfs/dbraw/zinc/22/69/69/478226969.db2.gz OLIRKQYKSICLQH-KRWDZBQOSA-N 0 0 336.391 2.667 10 5 EFBERN Cn1nccc1[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000519520899 478228428 /nfs/dbraw/zinc/22/84/28/478228428.db2.gz UOKUNZWQLKMRHX-NSHDSACASA-N 0 0 326.360 2.589 10 5 EFBERN Cc1ccccc1[C@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000536451082 478251690 /nfs/dbraw/zinc/25/16/90/478251690.db2.gz RLKVKFOSFZWZKL-KRWDZBQOSA-N 0 0 339.351 2.848 10 5 EFBERN O=C1CCCN1[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000519740342 478254997 /nfs/dbraw/zinc/25/49/97/478254997.db2.gz JFNCGUFVPVCYOC-ZDUSSCGKSA-N 0 0 340.383 2.734 10 5 EFBERN Cc1cc(OCC(=O)NC[C@H]2CCC3(CCCC3)O2)ccc1[N+](=O)[O-] ZINC000594205724 478271640 /nfs/dbraw/zinc/27/16/40/478271640.db2.gz FBOVLIWHZZSXOJ-OAHLLOKOSA-N 0 0 348.399 2.890 10 5 EFBERN CON1CCC(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597284156 478272090 /nfs/dbraw/zinc/27/20/90/478272090.db2.gz NDRFQUUATRSOLH-UHFFFAOYSA-N 0 0 349.431 2.697 10 5 EFBERN CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536800526 478272576 /nfs/dbraw/zinc/27/25/76/478272576.db2.gz JKTBBGZTTSBWBS-LLVKDONJSA-N 0 0 332.360 2.607 10 5 EFBERN C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(C)CCCC1 ZINC000489850648 478276861 /nfs/dbraw/zinc/27/68/61/478276861.db2.gz NTJBADRDLSXYDD-UHFFFAOYSA-N 0 0 326.418 2.633 10 5 EFBERN CO[C@@H]1CC[C@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000597295936 478278505 /nfs/dbraw/zinc/27/85/05/478278505.db2.gz HYDYQAHZYHDAMH-BJJXKVORSA-N 0 0 336.413 2.984 10 5 EFBERN COc1c(C)cccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000594215850 478279062 /nfs/dbraw/zinc/27/90/62/478279062.db2.gz GAFSMPGILFBUOF-UHFFFAOYSA-N 0 0 343.383 2.954 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594217522 478279906 /nfs/dbraw/zinc/27/99/06/478279906.db2.gz ZJJGLIQJPZWZTP-IRXDYDNUSA-N 0 0 347.415 2.784 10 5 EFBERN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[C@@H]1CCC(F)(F)C1 ZINC000570091687 478280856 /nfs/dbraw/zinc/28/08/56/478280856.db2.gz TWCFEZVHECPSMA-SECBINFHSA-N 0 0 325.271 2.847 10 5 EFBERN Cc1c(CC(=O)N[C@H](c2ccccc2F)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000579366341 478281891 /nfs/dbraw/zinc/28/18/91/478281891.db2.gz SAAXEUJPGNWEEC-SGTLLEGYSA-N 0 0 346.358 2.823 10 5 EFBERN C[C@H]1Cc2cccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2O1 ZINC000590667898 478282226 /nfs/dbraw/zinc/28/22/26/478282226.db2.gz PIEHDIJHSCIIMU-LBPRGKRZSA-N 0 0 342.351 2.727 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1[N+](=O)[O-] ZINC000600207723 478283034 /nfs/dbraw/zinc/28/30/34/478283034.db2.gz NXFTYKONYVGUIB-KGYLQXTDSA-N 0 0 346.774 2.602 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594225899 478284735 /nfs/dbraw/zinc/28/47/35/478284735.db2.gz DZXKONHCCLPZTP-HZPDHXFCSA-N 0 0 333.388 2.742 10 5 EFBERN O=C(Nc1nc2ccccc2c(=O)[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520222311 478285968 /nfs/dbraw/zinc/28/59/68/478285968.db2.gz GTSQPFUKGGTCRN-UHFFFAOYSA-N 0 0 328.259 2.635 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000600212631 478287508 /nfs/dbraw/zinc/28/75/08/478287508.db2.gz YSTISKTYLYDLKA-CYBMUJFWSA-N 0 0 326.352 2.945 10 5 EFBERN Cc1cccc2c1C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)CO2 ZINC000600211250 478288424 /nfs/dbraw/zinc/28/84/24/478288424.db2.gz PNYIPYXJAOKTAR-CQSZACIVSA-N 0 0 326.352 2.566 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H]1F ZINC000590698323 478296423 /nfs/dbraw/zinc/29/64/23/478296423.db2.gz DRXZDVQMDNXEDD-DGCLKSJQSA-N 0 0 332.335 2.601 10 5 EFBERN Nc1cc(NC[C@H]2CSc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000590704659 478301550 /nfs/dbraw/zinc/30/15/50/478301550.db2.gz XIFOFLSESRTKIJ-NSHDSACASA-N 0 0 331.397 2.971 10 5 EFBERN Nc1cc(NC[C@@H]2CSc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000590704658 478302018 /nfs/dbraw/zinc/30/20/18/478302018.db2.gz XIFOFLSESRTKIJ-LLVKDONJSA-N 0 0 331.397 2.971 10 5 EFBERN C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H]1F ZINC000590712798 478304175 /nfs/dbraw/zinc/30/41/75/478304175.db2.gz UZQOQYCICSENLO-GXFFZTMASA-N 0 0 332.335 2.805 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000590716055 478305193 /nfs/dbraw/zinc/30/51/93/478305193.db2.gz IVIGNJOKWUTCPP-WBMJQRKESA-N 0 0 330.388 2.823 10 5 EFBERN CC[C@H](NC(=O)Cn1cc(C2CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000597350659 478307295 /nfs/dbraw/zinc/30/72/95/478307295.db2.gz TUCXFZYYXOLUNO-INIZCTEOSA-N 0 0 328.372 2.936 10 5 EFBERN CCC(C)(C)OC1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000600268604 478316182 /nfs/dbraw/zinc/31/61/82/478316182.db2.gz WQHXXQDAXPWYPZ-UHFFFAOYSA-N 0 0 336.388 2.562 10 5 EFBERN COc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cnc1OC ZINC000600268993 478316497 /nfs/dbraw/zinc/31/64/97/478316497.db2.gz LMYTUBKKXGFWOW-UHFFFAOYSA-N 0 0 345.355 2.923 10 5 EFBERN COc1cc(C(=O)Nc2cnc(OC)c(OC)c2)cc([N+](=O)[O-])c1C ZINC000600268975 478316870 /nfs/dbraw/zinc/31/68/70/478316870.db2.gz KKFOQVHYDUBMDY-UHFFFAOYSA-N 0 0 347.327 2.576 10 5 EFBERN COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1F ZINC000600271239 478317862 /nfs/dbraw/zinc/31/78/62/478317862.db2.gz KQOFCVSDWRDOGJ-ZJUUUORDSA-N 0 0 340.376 2.853 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600272130 478317915 /nfs/dbraw/zinc/31/79/15/478317915.db2.gz QPKHNLUFVAUVSS-MNOVXSKESA-N 0 0 342.367 2.912 10 5 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CC(C)Oc1cc(C(=O)N2CCO[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000600496930 478392111 /nfs/dbraw/zinc/39/21/11/478392111.db2.gz PSPIXIQQZAJCLJ-CYBMUJFWSA-N 0 0 340.351 2.583 10 5 EFBERN COC(=O)c1cc(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000600497646 478392532 /nfs/dbraw/zinc/39/25/32/478392532.db2.gz IBLLIUFFDBPSHD-FVCICTRLSA-N 0 0 332.356 2.547 10 5 EFBERN CCCN(CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000600517864 478398833 /nfs/dbraw/zinc/39/88/33/478398833.db2.gz DZTPHYRZOTYROG-UHFFFAOYSA-N 0 0 338.257 2.914 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000600519258 478399213 /nfs/dbraw/zinc/39/92/13/478399213.db2.gz CBLNOVNRUMGJFN-UNEWFSDZSA-N 0 0 332.400 2.847 10 5 EFBERN COC(=O)[C@](C)(NC(=O)[C@H]1CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000600522721 478399789 /nfs/dbraw/zinc/39/97/89/478399789.db2.gz IGQJZDPRHFSXCF-CXAGYDPISA-N 0 0 334.372 2.535 10 5 EFBERN COC(=O)[C@](C)(NC(=O)[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600522089 478400044 /nfs/dbraw/zinc/40/00/44/478400044.db2.gz CLEUFCZTBSYEGG-XLWVJDPXSA-N 0 0 348.399 2.926 10 5 EFBERN COC(=O)[C@](C)(NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000600522563 478400113 /nfs/dbraw/zinc/40/01/13/478400113.db2.gz HEMHSXNDXFHHHW-JJFYZRJRSA-N 0 0 346.383 2.535 10 5 EFBERN COC(=O)[C@](C)(NC(=O)[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600522086 478400128 /nfs/dbraw/zinc/40/01/28/478400128.db2.gz CLEUFCZTBSYEGG-CDHAZOANSA-N 0 0 348.399 2.926 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000600520705 478400320 /nfs/dbraw/zinc/40/03/20/478400320.db2.gz RGQBKXUYOOCGRL-WBIUFABUSA-N 0 0 336.413 2.759 10 5 EFBERN CC(C)(C(=O)N[C@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600522895 478400377 /nfs/dbraw/zinc/40/03/77/478400377.db2.gz SZGIUEGSLQDKRL-ABAIWWIYSA-N 0 0 336.363 2.695 10 5 EFBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000600525526 478401124 /nfs/dbraw/zinc/40/11/24/478401124.db2.gz WHUBPEVRJINMQM-UWVGGRQHSA-N 0 0 332.278 2.694 10 5 EFBERN COC[C@@H](CC(C)(C)C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594479290 478403194 /nfs/dbraw/zinc/40/31/94/478403194.db2.gz QJMTWQRSVIBZHZ-GFCCVEGCSA-N 0 0 344.433 2.633 10 5 EFBERN COC(=O)[C@](C)(NC(=O)C[C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600532521 478403704 /nfs/dbraw/zinc/40/37/04/478403704.db2.gz CHLOZYGTUJHCIR-SCLBCKFNSA-N 0 0 346.383 2.846 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000600542302 478406377 /nfs/dbraw/zinc/40/63/77/478406377.db2.gz BOYZVZSUYODPDK-ARFHVFGLSA-N 0 0 346.383 2.707 10 5 EFBERN COC(=O)[C@](C)(NC(=O)CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000600541893 478406883 /nfs/dbraw/zinc/40/68/83/478406883.db2.gz XPNVRIGJMITNOV-QGZVFWFLSA-N 0 0 334.372 2.680 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594487576 478407279 /nfs/dbraw/zinc/40/72/79/478407279.db2.gz NQBJKGYONDYMMP-KGLIPLIRSA-N 0 0 342.417 2.529 10 5 EFBERN Cc1c(CNC(=O)c2c(C(F)(F)F)cnn2C)cccc1[N+](=O)[O-] ZINC000597554877 478408650 /nfs/dbraw/zinc/40/86/50/478408650.db2.gz HGJUKMIZQQWKKP-UHFFFAOYSA-N 0 0 342.277 2.586 10 5 EFBERN O=C([C@@H]1CCCC2(CC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597575034 478417902 /nfs/dbraw/zinc/41/79/02/478417902.db2.gz LBYKSLQSDBTLFQ-CYBMUJFWSA-N 0 0 332.404 2.925 10 5 EFBERN CCc1ccc([C@@H](NC[C@@](C)(CO)OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594511775 478420395 /nfs/dbraw/zinc/42/03/95/478420395.db2.gz OOCRQAFSQHXIGA-ROUUACIJSA-N 0 0 348.399 2.827 10 5 EFBERN CC(C)(C)CNC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000600564065 478421820 /nfs/dbraw/zinc/42/18/20/478421820.db2.gz AGHAWAHHCOBDEH-UHFFFAOYSA-N 0 0 344.209 2.932 10 5 EFBERN Cc1ncc2c(n1)CC[C@H](Nc1nc3c(cc1[N+](=O)[O-])CCCC3)C2 ZINC000563037384 478425824 /nfs/dbraw/zinc/42/58/24/478425824.db2.gz ATXWQLORRIWXJP-AWEZNQCLSA-N 0 0 339.399 2.936 10 5 EFBERN O=[N+]([O-])c1ccn(Cc2nc(CCCc3c(F)cccc3F)no2)n1 ZINC000594530558 478426549 /nfs/dbraw/zinc/42/65/49/478426549.db2.gz DZGHSESNBVDHBJ-UHFFFAOYSA-N 0 0 349.297 2.676 10 5 EFBERN Cc1sc(C(=O)NC(C)(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000600592508 478432968 /nfs/dbraw/zinc/43/29/68/478432968.db2.gz HTBWFQIZRLNJMC-UHFFFAOYSA-N 0 0 328.390 2.815 10 5 EFBERN CC(C)(C)OC(=O)C(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600597844 478433919 /nfs/dbraw/zinc/43/39/19/478433919.db2.gz MZHFEVBVEJDPIW-UHFFFAOYSA-N 0 0 347.371 2.926 10 5 EFBERN CCc1cnc(CCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)s1 ZINC000594553839 478434435 /nfs/dbraw/zinc/43/44/35/478434435.db2.gz DLOLAMRVJBPXIW-UHFFFAOYSA-N 0 0 336.417 2.872 10 5 EFBERN CNc1ccc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000597619284 478437210 /nfs/dbraw/zinc/43/72/10/478437210.db2.gz UNTBXSDNXICHPP-KBPBESRZSA-N 0 0 326.356 2.565 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000594563443 478440860 /nfs/dbraw/zinc/44/08/60/478440860.db2.gz GIIKLESNQFTQCH-ZDUSSCGKSA-N 0 0 333.388 2.806 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)c2ccn3nnnc3c2)cc1[N+](=O)[O-] ZINC000597630672 478440914 /nfs/dbraw/zinc/44/09/14/478440914.db2.gz GENDZNAJQRJQPR-UHFFFAOYSA-N 0 0 340.343 2.582 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)c2nc3ncccn3n2)cc1[N+](=O)[O-] ZINC000597630014 478440969 /nfs/dbraw/zinc/44/09/69/478440969.db2.gz AJCURLJDTXYLQZ-UHFFFAOYSA-N 0 0 340.343 2.582 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCn2c(nnc2C2CCCC2)C1 ZINC000594565664 478441106 /nfs/dbraw/zinc/44/11/06/478441106.db2.gz MFVZAVCCLDKWED-UHFFFAOYSA-N 0 0 343.387 2.873 10 5 EFBERN COC(=O)c1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000597633033 478441703 /nfs/dbraw/zinc/44/17/03/478441703.db2.gz UCXRPOPDYGHDMQ-UHFFFAOYSA-N 0 0 346.339 2.598 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1cc(C2CC2)no1 ZINC000597639083 478443591 /nfs/dbraw/zinc/44/35/91/478443591.db2.gz FGQYNWWFKATPAX-UHFFFAOYSA-N 0 0 329.356 2.704 10 5 EFBERN Cc1ccn([C@H](C)CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000597639021 478443996 /nfs/dbraw/zinc/44/39/96/478443996.db2.gz BWTFQFAKLBPCIM-CQSZACIVSA-N 0 0 330.388 2.752 10 5 EFBERN CO[C@H](CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1)C(F)(F)F ZINC000594572229 478444827 /nfs/dbraw/zinc/44/48/27/478444827.db2.gz SGMJMNJKIDYEIA-SNVBAGLBSA-N 0 0 337.298 2.578 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C(C)(F)F)cc1C ZINC000594579281 478446184 /nfs/dbraw/zinc/44/61/84/478446184.db2.gz NURCBUQVXAYMBR-UHFFFAOYSA-N 0 0 336.360 2.924 10 5 EFBERN C[C@H](C(=O)N1NC(=O)CC12CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000597648455 478446299 /nfs/dbraw/zinc/44/62/99/478446299.db2.gz FKEOEJPXLSHPRC-LBPRGKRZSA-N 0 0 331.372 2.665 10 5 EFBERN CC(C)Oc1nc(N[C@@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000594586075 478449460 /nfs/dbraw/zinc/44/94/60/478449460.db2.gz LLIDZUULTWDWHH-INIZCTEOSA-N 0 0 335.404 2.816 10 5 EFBERN CO[C@@H]1CC[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597657215 478450002 /nfs/dbraw/zinc/45/00/02/478450002.db2.gz CEEAMPIVKCIOPQ-SMDDNHRTSA-N 0 0 331.372 2.550 10 5 EFBERN Cc1c(Br)c(N2CC3(CC3(F)F)C2)ncc1[N+](=O)[O-] ZINC000594588665 478450272 /nfs/dbraw/zinc/45/02/72/478450272.db2.gz IBGWNJPXJRXINC-UHFFFAOYSA-N 0 0 334.120 2.906 10 5 EFBERN CC(C)Oc1cc(C(=O)N2CCc3ncccc3C2)ccc1[N+](=O)[O-] ZINC000591071474 478451586 /nfs/dbraw/zinc/45/15/86/478451586.db2.gz CZORYBZKIGFUBA-UHFFFAOYSA-N 0 0 341.367 2.976 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000539978634 478452347 /nfs/dbraw/zinc/45/23/47/478452347.db2.gz FDTLVTFVPGCFIV-AWEZNQCLSA-N 0 0 336.388 2.665 10 5 EFBERN C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594591160 478452812 /nfs/dbraw/zinc/45/28/12/478452812.db2.gz FYUYOYMSTJWAPQ-MXWKQRLJSA-N 0 0 328.800 2.553 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C2CC2)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594590933 478452936 /nfs/dbraw/zinc/45/29/36/478452936.db2.gz OKJPSEJWNJXINY-ZIAGYGMSSA-N 0 0 349.387 2.844 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H]2C[C@H](OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594593751 478453801 /nfs/dbraw/zinc/45/38/01/478453801.db2.gz IQOVDSKEYWZLGQ-XYPYZODXSA-N 0 0 337.376 2.925 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000594593692 478453812 /nfs/dbraw/zinc/45/38/12/478453812.db2.gz GKSVAZYOZKIMQU-XYPYZODXSA-N 0 0 342.417 2.756 10 5 EFBERN Cc1c(CN(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cnn1C ZINC000591079462 478455495 /nfs/dbraw/zinc/45/54/95/478455495.db2.gz LMPKSJXGADJZPL-UHFFFAOYSA-N 0 0 346.387 2.696 10 5 EFBERN COC(=O)c1cnc(NCc2cccc(C)c2OC)c([N+](=O)[O-])c1 ZINC000594595746 478455569 /nfs/dbraw/zinc/45/55/69/478455569.db2.gz IXWJIZOSPZXIJC-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN O=C(CCC(=O)N1CC[C@@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000597666442 478456008 /nfs/dbraw/zinc/45/60/08/478456008.db2.gz PUVFPMNVMQCEFU-GFCCVEGCSA-N 0 0 330.262 2.721 10 5 EFBERN NC(=O)c1ccc(N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000594599191 478456993 /nfs/dbraw/zinc/45/69/93/478456993.db2.gz DRKPKKUMKVIIRR-JOYOIKCWSA-N 0 0 347.293 2.606 10 5 EFBERN Nc1cc(N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc(CO)c1[N+](=O)[O-] ZINC000594599360 478459344 /nfs/dbraw/zinc/45/93/44/478459344.db2.gz JONLXFPTGBWQIR-CMPLNLGQSA-N 0 0 349.309 2.581 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC3(CCCC3)O2)n1 ZINC000594599869 478459596 /nfs/dbraw/zinc/45/95/96/478459596.db2.gz OINBQPCOLZIFSL-LLVKDONJSA-N 0 0 335.360 2.680 10 5 EFBERN C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594601050 478460965 /nfs/dbraw/zinc/46/09/65/478460965.db2.gz SOFPSDPHGFKSOJ-LBPRGKRZSA-N 0 0 333.388 2.622 10 5 EFBERN Cc1ccc(CCN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000600684009 478467510 /nfs/dbraw/zinc/46/75/10/478467510.db2.gz AEZWGIYRTNWXMX-QGZVFWFLSA-N 0 0 343.339 2.506 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CC3CCC2CC3)C1=O ZINC000600690809 478471171 /nfs/dbraw/zinc/47/11/71/478471171.db2.gz LSOOOVBDJSIZDT-OYQQDDRJSA-N 0 0 343.383 2.941 10 5 EFBERN CCc1n[nH]c(C(=O)NCC2(C(F)(F)F)CCCC2)c1[N+](=O)[O-] ZINC000600692761 478471441 /nfs/dbraw/zinc/47/14/41/478471441.db2.gz DALWYVJLTIJHRE-UHFFFAOYSA-N 0 0 334.298 2.733 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CC3CCC2CC3)C1=O ZINC000600690811 478471579 /nfs/dbraw/zinc/47/15/79/478471579.db2.gz LSOOOVBDJSIZDT-XDUNDIGWSA-N 0 0 343.383 2.941 10 5 EFBERN COc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)cc1F ZINC000600698407 478473867 /nfs/dbraw/zinc/47/38/67/478473867.db2.gz DKGDEDJKZQVHCW-LLVKDONJSA-N 0 0 333.319 2.700 10 5 EFBERN C[C@@H](CCC1CC1)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600698157 478473993 /nfs/dbraw/zinc/47/39/93/478473993.db2.gz VFNSXHXDUXOXAW-APPDUMDISA-N 0 0 331.372 2.941 10 5 EFBERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591143748 478474196 /nfs/dbraw/zinc/47/41/96/478474196.db2.gz QUFJRLYGEVZVGE-LLVKDONJSA-N 0 0 338.383 2.506 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000600703741 478475269 /nfs/dbraw/zinc/47/52/69/478475269.db2.gz 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CC1(C)CCC[C@@H]1[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000591982449 478732444 /nfs/dbraw/zinc/73/24/44/478732444.db2.gz MLLDLMDLDBYTEX-WCQYABFASA-N 0 0 332.404 2.741 10 5 EFBERN CC1(C)CCC[C@H]1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000591982638 478732755 /nfs/dbraw/zinc/73/27/55/478732755.db2.gz NZXKNRPHTVZFMP-FZMZJTMJSA-N 0 0 332.404 2.741 10 5 EFBERN CC1(C)CCC[C@@H]1[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000591982637 478733274 /nfs/dbraw/zinc/73/32/74/478733274.db2.gz NZXKNRPHTVZFMP-BXUZGUMPSA-N 0 0 332.404 2.741 10 5 EFBERN CC(C)(CNc1ccnc2c1cccc2[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000591986167 478734299 /nfs/dbraw/zinc/73/42/99/478734299.db2.gz BCVSNXUPHFENSN-KRWDZBQOSA-N 0 0 331.372 2.733 10 5 EFBERN COCC1(C2CC2)CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000601227510 478734376 /nfs/dbraw/zinc/73/43/76/478734376.db2.gz SZWSZDVMHNXTMC-UHFFFAOYSA-N 0 0 334.372 2.553 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000598269158 478734983 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EFBERN C[C@@H]1C[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000601237744 478740819 /nfs/dbraw/zinc/74/08/19/478740819.db2.gz LEOCTCXUNZIKGM-TWINXVHLSA-N 0 0 336.413 2.982 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1NCc1ccnc(N2CCSCC2)c1 ZINC000601240453 478742831 /nfs/dbraw/zinc/74/28/31/478742831.db2.gz IHBQCIORPWIHNF-UHFFFAOYSA-N 0 0 349.391 2.689 10 5 EFBERN CCc1ccc(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000595351673 478742833 /nfs/dbraw/zinc/74/28/33/478742833.db2.gz JYDAOEJICPVATF-GFCCVEGCSA-N 0 0 348.371 2.727 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCN2 ZINC000592014104 478744532 /nfs/dbraw/zinc/74/45/32/478744532.db2.gz WEXFXJIIFIQZMV-UHFFFAOYSA-N 0 0 340.383 2.795 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601251208 478747301 /nfs/dbraw/zinc/74/73/01/478747301.db2.gz SSDSRZSURXQKSE-HZPDHXFCSA-N 0 0 333.388 2.714 10 5 EFBERN C[C@@H]1SCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592024589 478747994 /nfs/dbraw/zinc/74/79/94/478747994.db2.gz PAHSCDSAYCAZHQ-HZMBPMFUSA-N 0 0 348.428 2.812 10 5 EFBERN CC(C)(C(=O)NCC(O)(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000598288838 478748103 /nfs/dbraw/zinc/74/81/03/478748103.db2.gz QWJOODFIPUXPAN-UHFFFAOYSA-N 0 0 332.400 2.540 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CN(c2ccncn2)C1 ZINC000601251061 478748048 /nfs/dbraw/zinc/74/80/48/478748048.db2.gz UKWKMUFNCNIPLY-UHFFFAOYSA-N 0 0 339.277 2.704 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H](C2CCC2)C1 ZINC000595364671 478748578 /nfs/dbraw/zinc/74/85/78/478748578.db2.gz IVYCREFWPIWWEG-AWEZNQCLSA-N 0 0 338.429 2.937 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](CO)CC1CC1 ZINC000598293221 478749089 /nfs/dbraw/zinc/74/90/89/478749089.db2.gz ONBVYCGDMPBZOG-NSHDSACASA-N 0 0 326.780 2.695 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C12CCC2 ZINC000598296653 478749958 /nfs/dbraw/zinc/74/99/58/478749958.db2.gz NSLDVDUKSIPXMZ-OLZOCXBDSA-N 0 0 349.387 2.552 10 5 EFBERN Cn1c(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000598296184 478750637 /nfs/dbraw/zinc/75/06/37/478750637.db2.gz KNHHOSUTAIBHKQ-STQMWFEESA-N 0 0 335.404 2.789 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C12CCC2 ZINC000598296655 478750686 /nfs/dbraw/zinc/75/06/86/478750686.db2.gz NSLDVDUKSIPXMZ-STQMWFEESA-N 0 0 349.387 2.552 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000598298581 478751122 /nfs/dbraw/zinc/75/11/22/478751122.db2.gz IJWMEHTWCIMLGK-ZJUUUORDSA-N 0 0 344.314 2.836 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000598297968 478751349 /nfs/dbraw/zinc/75/13/49/478751349.db2.gz VFMLHAZBDDTOSE-ZIAGYGMSSA-N 0 0 333.388 2.846 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000598298481 478751461 /nfs/dbraw/zinc/75/14/61/478751461.db2.gz BXRIUWNUOMCUTQ-NEPJUHHUSA-N 0 0 329.356 2.783 10 5 EFBERN C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000598298865 478751470 /nfs/dbraw/zinc/75/14/70/478751470.db2.gz TYXJCYRQZNKKET-OLZOCXBDSA-N 0 0 331.372 2.575 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000598297965 478751641 /nfs/dbraw/zinc/75/16/41/478751641.db2.gz VFMLHAZBDDTOSE-KBPBESRZSA-N 0 0 333.388 2.846 10 5 EFBERN C[C@@H]1C[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)O1 ZINC000601258415 478751748 /nfs/dbraw/zinc/75/17/48/478751748.db2.gz FTWNFNRPEKVDCA-PBFPGSCMSA-N 0 0 348.399 2.778 10 5 EFBERN O=C(CC1CSC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601258496 478751856 /nfs/dbraw/zinc/75/18/56/478751856.db2.gz IRSHRAZQRQGDME-UHFFFAOYSA-N 0 0 336.413 2.718 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000598301078 478752373 /nfs/dbraw/zinc/75/23/73/478752373.db2.gz ALTZJECITVNAPP-BMFZPTHFSA-N 0 0 332.400 2.583 10 5 EFBERN CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000595376690 478754771 /nfs/dbraw/zinc/75/47/71/478754771.db2.gz LIFINYZPDOEKHK-NSHDSACASA-N 0 0 348.446 2.530 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2c(c1)CCCN2 ZINC000592046705 478755534 /nfs/dbraw/zinc/75/55/34/478755534.db2.gz GMCHQWAGFDENBJ-UHFFFAOYSA-N 0 0 341.367 2.892 10 5 EFBERN O=C(N1CCC12CCOCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601272909 478759078 /nfs/dbraw/zinc/75/90/78/478759078.db2.gz BTAPVALITXEDSY-UHFFFAOYSA-N 0 0 330.384 2.798 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCN(CC(F)F)C1)CCCC2 ZINC000564563460 478760691 /nfs/dbraw/zinc/76/06/91/478760691.db2.gz BAWBPYMWJVBQSB-LLVKDONJSA-N 0 0 326.347 2.620 10 5 EFBERN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598313156 478762022 /nfs/dbraw/zinc/76/20/22/478762022.db2.gz SZAPRHRYGCTINS-KGLIPLIRSA-N 0 0 332.381 2.843 10 5 EFBERN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000598313157 478762083 /nfs/dbraw/zinc/76/20/83/478762083.db2.gz SZAPRHRYGCTINS-UONOGXRCSA-N 0 0 332.381 2.843 10 5 EFBERN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598312757 478762183 /nfs/dbraw/zinc/76/21/83/478762183.db2.gz RPQPPQMZCBFOMZ-NWDGAFQWSA-N 0 0 344.289 2.647 10 5 EFBERN Cc1cc(C(=O)NCc2c(C3CCC3)cnn2C)cc([N+](=O)[O-])c1 ZINC000598316195 478763453 /nfs/dbraw/zinc/76/34/53/478763453.db2.gz MZYJHHRDHLYVIW-UHFFFAOYSA-N 0 0 328.372 2.834 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC(C)(CC(F)F)C1 ZINC000592075231 478765466 /nfs/dbraw/zinc/76/54/66/478765466.db2.gz ZFQPBZKRSTTYHE-UHFFFAOYSA-N 0 0 348.371 2.877 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(C)(CC(F)F)C1 ZINC000592074923 478765503 /nfs/dbraw/zinc/76/55/03/478765503.db2.gz ROQNNLBYNFHSHK-UHFFFAOYSA-N 0 0 334.344 2.569 10 5 EFBERN CC(C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000595419065 478768297 /nfs/dbraw/zinc/76/82/97/478768297.db2.gz WXKADYNQZVEZGD-UHFFFAOYSA-N 0 0 340.323 2.852 10 5 EFBERN CC1(C)[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(F)F ZINC000598335830 478772536 /nfs/dbraw/zinc/77/25/36/478772536.db2.gz ANOCMOGZBOMYEE-LLVKDONJSA-N 0 0 334.269 2.823 10 5 EFBERN C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601299347 478772761 /nfs/dbraw/zinc/77/27/61/478772761.db2.gz PMQFMLYLWSYHQR-GUYJKWIASA-N 0 0 330.388 2.573 10 5 EFBERN C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601299348 478773498 /nfs/dbraw/zinc/77/34/98/478773498.db2.gz PMQFMLYLWSYHQR-KNPMLCFXSA-N 0 0 330.388 2.573 10 5 EFBERN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2cnn3c2CCCC3)n1 ZINC000601300399 478773695 /nfs/dbraw/zinc/77/36/95/478773695.db2.gz WXZPTDFPMVXGCZ-TZMCWYRMSA-N 0 0 330.392 2.920 10 5 EFBERN CC1(C)[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1(F)F ZINC000598341190 478775758 /nfs/dbraw/zinc/77/57/58/478775758.db2.gz PCHGNKOFZHKNCQ-CYBMUJFWSA-N 0 0 337.326 2.957 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CCC(F)CC1 ZINC000592105855 478778618 /nfs/dbraw/zinc/77/86/18/478778618.db2.gz LICCUNIBEARWTP-UHFFFAOYSA-N 0 0 330.381 2.710 10 5 EFBERN CC(C)[C@@H](O)[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000598347230 478780310 /nfs/dbraw/zinc/78/03/10/478780310.db2.gz APCQUQINEXGSFR-IAGOWNOFSA-N 0 0 343.383 2.665 10 5 EFBERN CC(C)[C@@H](O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000598351286 478781551 /nfs/dbraw/zinc/78/15/51/478781551.db2.gz OBOZNLLFCIGMLU-DLBZAZTESA-N 0 0 343.383 2.665 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000598354303 478784523 /nfs/dbraw/zinc/78/45/23/478784523.db2.gz RBEGKYGOTJTOSE-CYBMUJFWSA-N 0 0 334.372 2.534 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccco2)c([N+](=O)[O-])s1 ZINC000601321594 478785989 /nfs/dbraw/zinc/78/59/89/478785989.db2.gz PFDNLTJQPHTNIV-VIFPVBQESA-N 0 0 330.387 2.939 10 5 EFBERN Cc1noc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592130329 478787633 /nfs/dbraw/zinc/78/76/33/478787633.db2.gz CDMDYFAAQBNYFW-SHTZXODSSA-N 0 0 346.387 2.592 10 5 EFBERN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000598364996 478788317 /nfs/dbraw/zinc/78/83/17/478788317.db2.gz BSAXDDUDZAHBHA-UNXYVOJBSA-N 0 0 326.372 2.559 10 5 EFBERN COc1ccc2c(c1)N(C(=O)COc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000598362956 478788802 /nfs/dbraw/zinc/78/88/02/478788802.db2.gz DRMXMKWZDQNKCN-UHFFFAOYSA-N 0 0 342.351 2.962 10 5 EFBERN Cn1ncc(C2CCC2)c1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595445651 478788972 /nfs/dbraw/zinc/78/89/72/478788972.db2.gz FVJZFVUIBHRPFW-UHFFFAOYSA-N 0 0 343.387 2.595 10 5 EFBERN COc1ccc(CNC(=O)NCC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595446310 478789163 /nfs/dbraw/zinc/78/91/63/478789163.db2.gz BXPQLJSULASHSR-AWEZNQCLSA-N 0 0 343.330 2.838 10 5 EFBERN O=[N+]([O-])c1ccccc1CN(Cc1cc[nH]n1)[C@H]1CC[C@H](O)CC1 ZINC000592132872 478789337 /nfs/dbraw/zinc/78/93/37/478789337.db2.gz OQEBWDBMZXELPS-WKILWMFISA-N 0 0 330.388 2.624 10 5 EFBERN CC[C@@H](C[C@H](C)CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601332799 478790507 /nfs/dbraw/zinc/79/05/07/478790507.db2.gz NOGDBUKLLYSEDA-ZFWWWQNUSA-N 0 0 334.416 2.930 10 5 EFBERN CCc1nc(C2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000595453433 478794955 /nfs/dbraw/zinc/79/49/55/478794955.db2.gz GFJVBJVTQWJETP-UHFFFAOYSA-N 0 0 333.367 2.794 10 5 EFBERN CCOC(=O)c1cc(C(=O)N[C@H](C(C)C)C2CC2)cc([N+](=O)[O-])c1 ZINC000598380879 478796373 /nfs/dbraw/zinc/79/63/73/478796373.db2.gz JCYHJEVCYJURCF-OAHLLOKOSA-N 0 0 334.372 2.936 10 5 EFBERN CC(C)[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000598382179 478798210 /nfs/dbraw/zinc/79/82/10/478798210.db2.gz UNEAEUMXGVJDRQ-INIZCTEOSA-N 0 0 328.372 2.945 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2COC[C@H]2C1 ZINC000598389445 478798990 /nfs/dbraw/zinc/79/89/90/478798990.db2.gz JGJWPEBBPPDVSQ-ZYHUDNBSSA-N 0 0 332.381 2.918 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000598388664 478799206 /nfs/dbraw/zinc/79/92/06/478799206.db2.gz CTOTZWNORORCGY-YNEHKIRRSA-N 0 0 336.413 2.570 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000564740704 478800857 /nfs/dbraw/zinc/80/08/57/478800857.db2.gz NHYUHGRXRHDMKQ-ZOWXZIJZSA-N 0 0 349.387 2.555 10 5 EFBERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000564740703 478800973 /nfs/dbraw/zinc/80/09/73/478800973.db2.gz NHYUHGRXRHDMKQ-XUJVJEKNSA-N 0 0 349.387 2.555 10 5 EFBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]2COC[C@H]2C1 ZINC000598392560 478801429 /nfs/dbraw/zinc/80/14/29/478801429.db2.gz GWNKVUCMEYKEJD-NXEZZACHSA-N 0 0 344.289 2.722 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000598393464 478802124 /nfs/dbraw/zinc/80/21/24/478802124.db2.gz JUCVCKFDEPQJTM-RYUDHWBXSA-N 0 0 336.413 2.815 10 5 EFBERN Cn1nccc1[C@@H]1CCCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000544005612 478802881 /nfs/dbraw/zinc/80/28/81/478802881.db2.gz PBWDMFIQVXRJNQ-INIZCTEOSA-N 0 0 343.387 2.765 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1cscn1 ZINC000595471751 478803084 /nfs/dbraw/zinc/80/30/84/478803084.db2.gz PNSBNSIEDNDHMB-VIFPVBQESA-N 0 0 336.373 2.620 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccon2)CC1 ZINC000598397878 478804143 /nfs/dbraw/zinc/80/41/43/478804143.db2.gz BXHWUQVJDTVMHF-UHFFFAOYSA-N 0 0 331.328 2.611 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](C2CCC2)C1 ZINC000598397891 478804375 /nfs/dbraw/zinc/80/43/75/478804375.db2.gz CBJCNYSODVYNLJ-LBPRGKRZSA-N 0 0 332.356 2.976 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2ccon2)CC1 ZINC000598400244 478806384 /nfs/dbraw/zinc/80/63/84/478806384.db2.gz YRWCFLANZQDYPS-UHFFFAOYSA-N 0 0 333.319 2.671 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC(C(F)F)CC2)c([N+](=O)[O-])s1 ZINC000601372846 478807127 /nfs/dbraw/zinc/80/71/27/478807127.db2.gz KFZDAEQSNVXGJN-UHFFFAOYSA-N 0 0 340.373 2.631 10 5 EFBERN COC(=O)c1cccc2c1CN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000592164096 478807264 /nfs/dbraw/zinc/80/72/64/478807264.db2.gz YKEWJQWYVJQDGK-UHFFFAOYSA-N 0 0 326.352 2.940 10 5 EFBERN COc1ccnc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1F ZINC000595478591 478809063 /nfs/dbraw/zinc/80/90/63/478809063.db2.gz BCMQDSYVHJFGJN-JTQLQIEISA-N 0 0 348.334 2.698 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601377599 478809777 /nfs/dbraw/zinc/80/97/77/478809777.db2.gz GNMXNBKCDNPCLD-SNVBAGLBSA-N 0 0 346.355 2.723 10 5 EFBERN Cc1cc(C(=O)NCC2(O)CCC(F)(F)CC2)cc([N+](=O)[O-])c1 ZINC000598422670 478815129 /nfs/dbraw/zinc/81/51/29/478815129.db2.gz BWUCPXCYDXUDPE-UHFFFAOYSA-N 0 0 328.315 2.573 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CCC(F)(F)CC2)c1 ZINC000598423718 478816407 /nfs/dbraw/zinc/81/64/07/478816407.db2.gz TZPNKEKKTBNAOC-UHFFFAOYSA-N 0 0 328.315 2.573 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N[C@@H]1c3ccccc3C[C@@H]1O)CCCC2 ZINC000572358755 478816681 /nfs/dbraw/zinc/81/66/81/478816681.db2.gz IMWVCZNBPLGYTG-DLBZAZTESA-N 0 0 325.368 2.939 10 5 EFBERN O=C(NCC1(O)CCC(F)(F)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598423699 478816586 /nfs/dbraw/zinc/81/65/86/478816586.db2.gz SNYBAKWAIZTQIB-UHFFFAOYSA-N 0 0 348.733 2.918 10 5 EFBERN Cc1cc(S(=O)(=O)NCCC[C@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000601392064 478816913 /nfs/dbraw/zinc/81/69/13/478816913.db2.gz DQVYIFKZLUYMOT-LLVKDONJSA-N 0 0 348.446 2.592 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]1C(F)(F)F ZINC000595495114 478819118 /nfs/dbraw/zinc/81/91/18/478819118.db2.gz OCKFCQQHKBJXTM-LBPRGKRZSA-N 0 0 347.293 2.569 10 5 EFBERN C[C@H]1C[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601402437 478820766 /nfs/dbraw/zinc/82/07/66/478820766.db2.gz MTUGQBASDRKSRV-UONOGXRCSA-N 0 0 332.400 2.948 10 5 EFBERN Cc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(F)c1F ZINC000601408398 478822685 /nfs/dbraw/zinc/82/26/85/478822685.db2.gz AQYOGOLAXIBTRH-UHFFFAOYSA-N 0 0 333.294 2.775 10 5 EFBERN CC(C)[C@@H](O)C1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601409556 478822883 /nfs/dbraw/zinc/82/28/83/478822883.db2.gz RQPHAZVXDOPEES-MRXNPFEDSA-N 0 0 346.427 2.930 10 5 EFBERN CO[C@@H]1CCC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601407751 478823234 /nfs/dbraw/zinc/82/32/34/478823234.db2.gz DACVXCSRFZDBIT-CZUORRHYSA-N 0 0 332.400 2.948 10 5 EFBERN CCN(c1cccnc1C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601411123 478824634 /nfs/dbraw/zinc/82/46/34/478824634.db2.gz NYQKCQMUYRJQQT-UHFFFAOYSA-N 0 0 341.414 2.883 10 5 EFBERN Cc1cc(S(=O)(=O)NCC(C)(C)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601410051 478824597 /nfs/dbraw/zinc/82/45/97/478824597.db2.gz FMUGIRBKSRPPEE-UHFFFAOYSA-N 0 0 346.352 2.832 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2nccnc2C1 ZINC000598441768 478826774 /nfs/dbraw/zinc/82/67/74/478826774.db2.gz SFBCNSQOUPPDHT-AWEZNQCLSA-N 0 0 340.383 2.538 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000592211734 478827398 /nfs/dbraw/zinc/82/73/98/478827398.db2.gz BSNOSHYZSPMAFG-OAHLLOKOSA-N 0 0 325.365 2.666 10 5 EFBERN CC(=O)NCC[C@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000572396909 478827514 /nfs/dbraw/zinc/82/75/14/478827514.db2.gz XZWXZQFDZXJLJC-CQSZACIVSA-N 0 0 346.431 2.611 10 5 EFBERN CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000592213617 478828320 /nfs/dbraw/zinc/82/83/20/478828320.db2.gz ZKMYGDQYAZGTFQ-MRVPVSSYSA-N 0 0 329.740 2.569 10 5 EFBERN CCOC1(CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCCC1 ZINC000601422027 478828560 /nfs/dbraw/zinc/82/85/60/478828560.db2.gz MWEIOLZVPWWKFV-UHFFFAOYSA-N 0 0 348.446 2.592 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000601424520 478828661 /nfs/dbraw/zinc/82/86/61/478828661.db2.gz LOSMXDRVWKFXCH-CYBMUJFWSA-N 0 0 329.331 2.834 10 5 EFBERN CCO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601434776 478831352 /nfs/dbraw/zinc/83/13/52/478831352.db2.gz TXCBSYPWMXMXAQ-GHMZBOCLSA-N 0 0 348.446 2.591 10 5 EFBERN CC1(C)OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598453774 478831759 /nfs/dbraw/zinc/83/17/59/478831759.db2.gz JMZLRPGVNUZMAM-NSHDSACASA-N 0 0 329.356 2.688 10 5 EFBERN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601435612 478832169 /nfs/dbraw/zinc/83/21/69/478832169.db2.gz RMAKBJYUALLUGN-STQMWFEESA-N 0 0 348.399 2.720 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000595520935 478833146 /nfs/dbraw/zinc/83/31/46/478833146.db2.gz TVRYBWRCRHQWRY-CVEARBPZSA-N 0 0 347.415 2.595 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598456629 478833568 /nfs/dbraw/zinc/83/35/68/478833568.db2.gz KNCLLPMKGWQWCG-HYVNUMGLSA-N 0 0 342.326 2.811 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598458513 478835168 /nfs/dbraw/zinc/83/51/68/478835168.db2.gz MFNKLCHTZKYQKY-USXIJHARSA-N 0 0 342.326 2.811 10 5 EFBERN CN(CC(=O)NCC(F)(F)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000598464619 478836083 /nfs/dbraw/zinc/83/60/83/478836083.db2.gz JTTVVBZMKZEMRP-UHFFFAOYSA-N 0 0 329.347 2.829 10 5 EFBERN CNc1nccc(C(=O)N2CCCC[C@@H]2CC2CCC2)c1[N+](=O)[O-] ZINC000598461080 478836726 /nfs/dbraw/zinc/83/67/26/478836726.db2.gz NOPIALNZYFGFEN-CYBMUJFWSA-N 0 0 332.404 2.638 10 5 EFBERN Cc1cccc(C2(NC(=O)Nc3ccncc3[N+](=O)[O-])CCC2)c1 ZINC000592246991 478839759 /nfs/dbraw/zinc/83/97/59/478839759.db2.gz QKZWJVQVIMNUQB-UHFFFAOYSA-N 0 0 326.356 2.921 10 5 EFBERN CCc1n[nH]c(C(=O)N(C)C[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598471483 478840826 /nfs/dbraw/zinc/84/08/26/478840826.db2.gz UCVDTIQNEGLIEX-GFCCVEGCSA-N 0 0 328.372 2.682 10 5 EFBERN COc1ccc(NC(=O)Nc2n[nH]c(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000592247954 478841221 /nfs/dbraw/zinc/84/12/21/478841221.db2.gz QTJHYJYJSUKNHT-UHFFFAOYSA-N 0 0 333.348 2.824 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595540986 478841655 /nfs/dbraw/zinc/84/16/55/478841655.db2.gz AWXNSOSKFXLPCY-QEJZJMRPSA-N 0 0 333.388 2.642 10 5 EFBERN O=C(N[C@@H](CO)c1ccsc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601457021 478842501 /nfs/dbraw/zinc/84/25/01/478842501.db2.gz GJHLHQIPZMPQIV-HNNXBMFYSA-N 0 0 346.408 2.928 10 5 EFBERN COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000592256351 478843338 /nfs/dbraw/zinc/84/33/38/478843338.db2.gz YEXSCNJPDDXXQT-NQBHXWOUSA-N 0 0 347.371 3.000 10 5 EFBERN Cc1cc(S(=O)(=O)NCC[C@]2(C)CC2(F)F)c([N+](=O)[O-])s1 ZINC000601464239 478844855 /nfs/dbraw/zinc/84/48/55/478844855.db2.gz JFHMTYGQAOGEAL-SNVBAGLBSA-N 0 0 340.373 2.678 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](CCF)C2)c(F)cc1[N+](=O)[O-] ZINC000601464698 478845303 /nfs/dbraw/zinc/84/53/03/478845303.db2.gz NTASAOSXQIFFKY-NSHDSACASA-N 0 0 348.371 2.803 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])s1 ZINC000601475450 478847708 /nfs/dbraw/zinc/84/77/08/478847708.db2.gz ARETXXJQPBMICH-GWCFXTLKSA-N 0 0 330.431 2.918 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])s1 ZINC000601474257 478848330 /nfs/dbraw/zinc/84/83/30/478848330.db2.gz OAGMFAZMYOETBH-ZJUUUORDSA-N 0 0 348.471 2.623 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC(CCF)CC2)ccc1[N+](=O)[O-] ZINC000601498167 478852825 /nfs/dbraw/zinc/85/28/25/478852825.db2.gz RUJPKKJHBQUBIS-UHFFFAOYSA-N 0 0 330.381 2.664 10 5 EFBERN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000598484862 478853035 /nfs/dbraw/zinc/85/30/35/478853035.db2.gz QQZZFZWSCWUGHT-IUODEOHRSA-N 0 0 340.401 2.816 10 5 EFBERN C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000592296482 478856184 /nfs/dbraw/zinc/85/61/84/478856184.db2.gz SVOPEGPTHGVHEP-SSDOTTSWSA-N 0 0 349.721 2.594 10 5 EFBERN CCOC(=O)[C@H](NCc1onc(C)c1[N+](=O)[O-])C1CCCCCC1 ZINC000595560720 478856217 /nfs/dbraw/zinc/85/62/17/478856217.db2.gz DFURBYRESYRERQ-CQSZACIVSA-N 0 0 339.392 2.883 10 5 EFBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)COc1cccc2c1CCC2 ZINC000572524271 478857824 /nfs/dbraw/zinc/85/78/24/478857824.db2.gz ZFFHCUZLYGODPT-AWEZNQCLSA-N 0 0 329.352 2.902 10 5 EFBERN CC1(C)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@@H]1O ZINC000601513199 478859746 /nfs/dbraw/zinc/85/97/46/478859746.db2.gz GMNHGSWUOJKVMA-HNNXBMFYSA-N 0 0 332.400 2.636 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1nc(C2CCCC2)no1 ZINC000592347987 478863616 /nfs/dbraw/zinc/86/36/16/478863616.db2.gz BJMQSSYVFNCGFA-UHFFFAOYSA-N 0 0 330.300 2.592 10 5 EFBERN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000598505342 478866867 /nfs/dbraw/zinc/86/68/67/478866867.db2.gz BDKBGFQVBNWMPA-VXNVDRBHSA-N 0 0 338.307 2.838 10 5 EFBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1nc3cc(F)ccc3o1)CCCC2 ZINC000592360709 478868535 /nfs/dbraw/zinc/86/85/35/478868535.db2.gz SFUTVFRUBVKZDY-UHFFFAOYSA-N 0 0 343.314 2.964 10 5 EFBERN CCOC(=O)c1c(C)onc1COc1cc(OC)ccc1[N+](=O)[O-] ZINC000592360991 478868861 /nfs/dbraw/zinc/86/88/61/478868861.db2.gz CTSXZKKVEOHUFS-UHFFFAOYSA-N 0 0 336.300 2.656 10 5 EFBERN Cc1sc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000598511257 478870822 /nfs/dbraw/zinc/87/08/22/478870822.db2.gz UIOPQOIDMMQXQU-UHFFFAOYSA-N 0 0 349.416 2.510 10 5 EFBERN COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000572581609 478870925 /nfs/dbraw/zinc/87/09/25/478870925.db2.gz MKPUWCPQXMFACE-WFASDCNBSA-N 0 0 327.340 2.532 10 5 EFBERN C[C@]1(C2CCCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000601539986 478871238 /nfs/dbraw/zinc/87/12/38/478871238.db2.gz NIXFUDZGDAMYBI-OAHLLOKOSA-N 0 0 339.417 2.723 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc2c(s1)CCC2 ZINC000583521595 478872445 /nfs/dbraw/zinc/87/24/45/478872445.db2.gz SEQKYGMFZYNRSO-UHFFFAOYSA-N 0 0 339.323 2.999 10 5 EFBERN Cc1sc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598513224 478873721 /nfs/dbraw/zinc/87/37/21/478873721.db2.gz ZFSOUGNWDFPISP-MRVPVSSYSA-N 0 0 338.307 2.758 10 5 EFBERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000505570942 478875350 /nfs/dbraw/zinc/87/53/50/478875350.db2.gz RNLDLPXXNQCIIQ-UHFFFAOYSA-N 0 0 344.657 2.780 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000598538480 478884474 /nfs/dbraw/zinc/88/44/74/478884474.db2.gz DVTQAUVEKVBQHI-SJCJKPOMSA-N 0 0 344.367 2.845 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000598541892 478887443 /nfs/dbraw/zinc/88/74/43/478887443.db2.gz XCVUOZAZDSIIRD-DUOKCRBOSA-N 0 0 340.379 2.937 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601588455 478894058 /nfs/dbraw/zinc/89/40/58/478894058.db2.gz WOWLGBPMZRGJFD-DLBZAZTESA-N 0 0 347.415 2.784 10 5 EFBERN CCOC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492256621 478894569 /nfs/dbraw/zinc/89/45/69/478894569.db2.gz HOBHFOSCOIZQNY-VHSXEESVSA-N 0 0 330.768 2.557 10 5 EFBERN O=C(NCCO[C@@H]1CCCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601592207 478895330 /nfs/dbraw/zinc/89/53/30/478895330.db2.gz NNKZOPQRNZLJRE-MRXNPFEDSA-N 0 0 348.399 2.676 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000598561864 478895563 /nfs/dbraw/zinc/89/55/63/478895563.db2.gz BKKNCBMBXSKJSB-BMIGLBTASA-N 0 0 328.315 2.788 10 5 EFBERN Cc1cc(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc([N+](=O)[O-])c1 ZINC000598563805 478896994 /nfs/dbraw/zinc/89/69/94/478896994.db2.gz JDVMQCOKLBQCSM-BMIGLBTASA-N 0 0 328.315 2.788 10 5 EFBERN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000545203722 478897329 /nfs/dbraw/zinc/89/73/29/478897329.db2.gz DCRNHJIBOSZGRX-CZUORRHYSA-N 0 0 327.340 2.640 10 5 EFBERN C[C@@H](C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598562233 478897579 /nfs/dbraw/zinc/89/75/79/478897579.db2.gz CMKPKOMOQPOOFZ-GLKRBJQHSA-N 0 0 342.342 2.969 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000598565622 478897783 /nfs/dbraw/zinc/89/77/83/478897783.db2.gz RQEICBHKQLBHDV-CLAHSXSESA-N 0 0 332.278 2.619 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000598566145 478900010 /nfs/dbraw/zinc/90/00/10/478900010.db2.gz VJBMYXGJXSCNNL-XLKFXECMSA-N 0 0 332.278 2.619 10 5 EFBERN CC12CC(C1)CN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598569519 478900559 /nfs/dbraw/zinc/90/05/59/478900559.db2.gz BSDPQRNORYSMGQ-UHFFFAOYSA-N 0 0 339.189 2.911 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@](C)(C(F)F)C2)c1 ZINC000598569609 478901341 /nfs/dbraw/zinc/90/13/41/478901341.db2.gz AZUCASKTZGBJPM-AWEZNQCLSA-N 0 0 346.355 2.813 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000598569981 478902586 /nfs/dbraw/zinc/90/25/86/478902586.db2.gz FTZZMNIJQXQJFK-OAHLLOKOSA-N 0 0 341.371 2.643 10 5 EFBERN C[C@@H](C(=O)N1CCO[C@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598571886 478903749 /nfs/dbraw/zinc/90/37/49/478903749.db2.gz LCNIRESTVPNZGA-BMIGLBTASA-N 0 0 328.315 2.581 10 5 EFBERN CC(C)(C(=O)N1CCO[C@](C)(C(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000598573136 478904097 /nfs/dbraw/zinc/90/40/97/478904097.db2.gz PCSWTYDEQFKSJQ-INIZCTEOSA-N 0 0 342.342 2.755 10 5 EFBERN C[C@@H](C(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598574332 478904711 /nfs/dbraw/zinc/90/47/11/478904711.db2.gz SQBOEFDWNYBEGX-RFAUZJTJSA-N 0 0 346.305 2.720 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc2c(c1)CCCO2 ZINC000598576305 478906224 /nfs/dbraw/zinc/90/62/24/478906224.db2.gz KSLSMDVZNPKSOG-NSHDSACASA-N 0 0 341.367 2.993 10 5 EFBERN COCCc1ccc(Oc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC000598585816 478912745 /nfs/dbraw/zinc/91/27/45/478912745.db2.gz BEDNNINEMOSVSO-UHFFFAOYSA-N 0 0 332.312 2.758 10 5 EFBERN O=[N+]([O-])c1cccc(N2CCN(Cc3cncc(Cl)c3)CC2)c1 ZINC000598588854 478913662 /nfs/dbraw/zinc/91/36/62/478913662.db2.gz LTOGNCOZCLXLGR-UHFFFAOYSA-N 0 0 332.791 2.965 10 5 EFBERN CCC(C)(C)CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000601629964 478916406 /nfs/dbraw/zinc/91/64/06/478916406.db2.gz AAWBKGPEMJXKKX-UHFFFAOYSA-N 0 0 337.424 2.964 10 5 EFBERN CCOc1ccc(CNc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1F ZINC000598595793 478917615 /nfs/dbraw/zinc/91/76/15/478917615.db2.gz VMRRVMYZTZERTJ-UHFFFAOYSA-N 0 0 349.318 2.926 10 5 EFBERN COC(=O)c1ccnc(N[C@H](C)Cc2cccc(OC)c2)c1[N+](=O)[O-] ZINC000598595213 478918293 /nfs/dbraw/zinc/91/82/93/478918293.db2.gz GZLTXWGLANZUHG-LLVKDONJSA-N 0 0 345.355 2.828 10 5 EFBERN COC(=O)c1ccnc(N2CCC(OC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000598596518 478919128 /nfs/dbraw/zinc/91/91/28/478919128.db2.gz SHAUTPIFQIAPKE-UHFFFAOYSA-N 0 0 349.387 2.704 10 5 EFBERN CO[C@@]1(CO)CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595658416 478920779 /nfs/dbraw/zinc/92/07/79/478920779.db2.gz IPSHKNLNDZRKPH-AWEZNQCLSA-N 0 0 348.321 2.587 10 5 EFBERN Cc1ccc(S(=O)(=O)N(C)c2cccnc2C)c(C)c1[N+](=O)[O-] ZINC000598612108 478925315 /nfs/dbraw/zinc/92/53/15/478925315.db2.gz RTBOFQQTQNUSCW-UHFFFAOYSA-N 0 0 335.385 2.740 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598610322 478925341 /nfs/dbraw/zinc/92/53/41/478925341.db2.gz ZJMWVBMKIAWSJD-ZDUSSCGKSA-N 0 0 326.418 2.878 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](F)C2)c(C)c1[N+](=O)[O-] ZINC000598609476 478925365 /nfs/dbraw/zinc/92/53/65/478925365.db2.gz YGULKAGSRZMPKN-CABZTGNLSA-N 0 0 330.381 2.580 10 5 EFBERN COC(=O)c1ccnc(N2CCc3cccc(C)c3C2)c1[N+](=O)[O-] ZINC000598620924 478930205 /nfs/dbraw/zinc/93/02/05/478930205.db2.gz PXEXQQDRPZHVQI-UHFFFAOYSA-N 0 0 327.340 2.648 10 5 EFBERN Cc1cc2c(cc1C)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000507619952 478930557 /nfs/dbraw/zinc/93/05/57/478930557.db2.gz IWVUEOAYSXDKCM-UHFFFAOYSA-N 0 0 332.381 2.963 10 5 EFBERN Cc1ccc(S(=O)(=O)NCC[C@@H]2CC2(F)F)c(C)c1[N+](=O)[O-] ZINC000598625382 478931840 /nfs/dbraw/zinc/93/18/40/478931840.db2.gz PSKDIMULIHAOPI-SNVBAGLBSA-N 0 0 334.344 2.535 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601657587 478932885 /nfs/dbraw/zinc/93/28/85/478932885.db2.gz NOBDIGTVCDQSJM-OAHLLOKOSA-N 0 0 341.367 2.775 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC000601658325 478933036 /nfs/dbraw/zinc/93/30/36/478933036.db2.gz LVJPZIPRRNPIBD-HNNXBMFYSA-N 0 0 341.367 2.775 10 5 EFBERN COC(=O)c1ccnc(NCc2oc(C(C)C)nc2C)c1[N+](=O)[O-] ZINC000598627011 478933209 /nfs/dbraw/zinc/93/32/09/478933209.db2.gz CYOUBJAHPZSSJB-UHFFFAOYSA-N 0 0 334.332 2.808 10 5 EFBERN COC(=O)c1ccnc(NCC(C)(C)c2ccccn2)c1[N+](=O)[O-] ZINC000598629004 478933301 /nfs/dbraw/zinc/93/33/01/478933301.db2.gz XCKCKKDWSUUXRI-UHFFFAOYSA-N 0 0 330.344 2.561 10 5 EFBERN COC(=O)c1ccnc(N2C[C@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000598630418 478933424 /nfs/dbraw/zinc/93/34/24/478933424.db2.gz KQSMULVHGFPWOC-LBPRGKRZSA-N 0 0 349.387 2.704 10 5 EFBERN Cn1cc([C@H]2CSCCN2c2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000598626825 478933512 /nfs/dbraw/zinc/93/35/12/478933512.db2.gz AWMURYYUXKSVDQ-GFCCVEGCSA-N 0 0 339.808 2.671 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000598629728 478933519 /nfs/dbraw/zinc/93/35/19/478933519.db2.gz DHGOLJBOCFTOIJ-LLVKDONJSA-N 0 0 335.360 2.680 10 5 EFBERN CC(=O)c1cccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1 ZINC000572841478 478934561 /nfs/dbraw/zinc/93/45/61/478934561.db2.gz XFGMMJRTXLCEEC-UHFFFAOYSA-N 0 0 326.352 2.886 10 5 EFBERN C[C@@H]1C(=O)N(C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000592530533 478935361 /nfs/dbraw/zinc/93/53/61/478935361.db2.gz YLWRRPUWXOQBFU-LLVKDONJSA-N 0 0 331.397 2.943 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)N2C[C@]3(C)COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595688919 478936896 /nfs/dbraw/zinc/93/68/96/478936896.db2.gz KNUBHJRXSHPDMF-XWIAVFTESA-N 0 0 347.415 2.589 10 5 EFBERN C[C@@]12COC[C@H]1CN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000601674555 478944865 /nfs/dbraw/zinc/94/48/65/478944865.db2.gz WZMOSAGBKYOZMO-RHSMWYFYSA-N 0 0 330.384 2.511 10 5 EFBERN C[C@]12COC[C@@H]1CN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000601674567 478944900 /nfs/dbraw/zinc/94/49/00/478944900.db2.gz WZMOSAGBKYOZMO-YOEHRIQHSA-N 0 0 330.384 2.511 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)C(=O)OC(C)(C)C ZINC000592573936 478946295 /nfs/dbraw/zinc/94/62/95/478946295.db2.gz RSVDEWHMDHBQPQ-UHFFFAOYSA-N 0 0 338.360 2.910 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000598659142 478950901 /nfs/dbraw/zinc/95/09/01/478950901.db2.gz ZMRYYEYSVNMTFU-XPKDYRNWSA-N 0 0 335.404 2.706 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595711577 478951457 /nfs/dbraw/zinc/95/14/57/478951457.db2.gz IXHAEIAJDHODNV-DDTOSNHZSA-N 0 0 344.375 2.643 10 5 EFBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595711607 478951759 /nfs/dbraw/zinc/95/17/59/478951759.db2.gz AYHGCDUKWUHIOG-IJLUTSLNSA-N 0 0 344.371 2.863 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595712247 478953125 /nfs/dbraw/zinc/95/31/25/478953125.db2.gz ITGQHLDINUCIKU-LBPRGKRZSA-N 0 0 337.424 2.963 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595714468 478953332 /nfs/dbraw/zinc/95/33/32/478953332.db2.gz SRJOGEJQTRNOCU-ZDUSSCGKSA-N 0 0 349.435 2.646 10 5 EFBERN CNc1nccc(C(=O)N(CC2CC2)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000601699359 478958557 /nfs/dbraw/zinc/95/85/57/478958557.db2.gz CKRKLBDPOVKBPF-UHFFFAOYSA-N 0 0 344.346 2.649 10 5 EFBERN CC[C@H](NC(=O)[C@@H]1CCc2ncncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000592601997 478959281 /nfs/dbraw/zinc/95/92/81/478959281.db2.gz IXJWCDBBSJYYGP-CJNGLKHVSA-N 0 0 340.383 2.757 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N(CC1CC1)c1cccc(F)c1 ZINC000601703611 478961549 /nfs/dbraw/zinc/96/15/49/478961549.db2.gz WDPLCIUUWMYKNC-UHFFFAOYSA-N 0 0 332.335 2.764 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598677651 478964929 /nfs/dbraw/zinc/96/49/29/478964929.db2.gz QUMKVPDKAHMEIL-KRWDZBQOSA-N 0 0 346.408 2.663 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(COCc3cccc(C)c3)n2)n1C ZINC000598680752 478966224 /nfs/dbraw/zinc/96/62/24/478966224.db2.gz CPTRSVWVKIOVOS-UHFFFAOYSA-N 0 0 343.343 2.712 10 5 EFBERN C[C@@H](C1CC1)N(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000601713807 478968579 /nfs/dbraw/zinc/96/85/79/478968579.db2.gz DCJACJOMQLPPLH-ZDUSSCGKSA-N 0 0 341.367 2.588 10 5 EFBERN COCC1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CCCCC1 ZINC000598684679 478969865 /nfs/dbraw/zinc/96/98/65/478969865.db2.gz XHICVYLCUPUFGB-UHFFFAOYSA-N 0 0 332.360 2.812 10 5 EFBERN CNc1nccc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000601715504 478969935 /nfs/dbraw/zinc/96/99/35/478969935.db2.gz UHXIUVUFFMQIDD-GFCCVEGCSA-N 0 0 340.383 2.899 10 5 EFBERN COc1ccc(C)nc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545906229 478970830 /nfs/dbraw/zinc/97/08/30/478970830.db2.gz LGDZAXKXBXLSHV-UHFFFAOYSA-N 0 0 342.355 2.897 10 5 EFBERN Cc1cccc(COCC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000598689003 478972307 /nfs/dbraw/zinc/97/23/07/478972307.db2.gz ULELRUQVGFEGNQ-UHFFFAOYSA-N 0 0 328.368 2.779 10 5 EFBERN CCCN(C(=O)c1cn(C2CCC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592630385 478972370 /nfs/dbraw/zinc/97/23/70/478972370.db2.gz KLWOOGAJEZXOFU-UHFFFAOYSA-N 0 0 329.360 2.968 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC2CC2)c2ncccc12 ZINC000545922163 478974128 /nfs/dbraw/zinc/97/41/28/478974128.db2.gz IJPXBGZVHQKRJA-UHFFFAOYSA-N 0 0 335.385 2.612 10 5 EFBERN Cc1ccc(COCC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000598695606 478976741 /nfs/dbraw/zinc/97/67/41/478976741.db2.gz SZXFOBUAHIETHK-UHFFFAOYSA-N 0 0 328.368 2.779 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000601733263 478976793 /nfs/dbraw/zinc/97/67/93/478976793.db2.gz AHKKBFQVUYCPLJ-UHFFFAOYSA-N 0 0 346.383 2.873 10 5 EFBERN COc1ccc(C(=O)CNC(=O)[C@@H]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000601734147 478977014 /nfs/dbraw/zinc/97/70/14/478977014.db2.gz FIOHZULSCQVWIA-CYBMUJFWSA-N 0 0 346.383 2.873 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](CCF)C1 ZINC000595756636 478977691 /nfs/dbraw/zinc/97/76/91/478977691.db2.gz VESCRHGTWIVILV-GFCCVEGCSA-N 0 0 339.367 2.614 10 5 EFBERN COc1ccc(C(=O)CNC(=O)CC2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601738171 478977760 /nfs/dbraw/zinc/97/77/60/478977760.db2.gz OPXNNZXIQOWMNA-UHFFFAOYSA-N 0 0 334.372 2.729 10 5 EFBERN CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000601745798 478982104 /nfs/dbraw/zinc/98/21/04/478982104.db2.gz YAFLSQVIHMFABO-UHFFFAOYSA-N 0 0 347.415 2.781 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)O1 ZINC000601762127 478989722 /nfs/dbraw/zinc/98/97/22/478989722.db2.gz PXUOSBZAZXRSPA-RGNHYFCHSA-N 0 0 343.177 2.653 10 5 EFBERN CCOC(=O)c1cc(C(=O)NC[C@H](C)CC(F)F)cc([N+](=O)[O-])c1 ZINC000592673199 478990836 /nfs/dbraw/zinc/99/08/36/478990836.db2.gz SHDUXEBKUIXWHJ-SECBINFHSA-N 0 0 344.314 2.793 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601766451 478990850 /nfs/dbraw/zinc/99/08/50/478990850.db2.gz JTDYUQDYQNJHTP-WEDXCCLWSA-N 0 0 343.177 2.653 10 5 EFBERN COc1ccccc1C1(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000592675408 478991042 /nfs/dbraw/zinc/99/10/42/478991042.db2.gz CKFHJFQAQRGXFJ-UHFFFAOYSA-N 0 0 342.351 2.788 10 5 EFBERN O=C(NCC[C@@H]1CSc2ccccc2O1)c1ccc([N+](=O)[O-])cn1 ZINC000592673419 478991178 /nfs/dbraw/zinc/99/11/78/478991178.db2.gz SGLFVXGVLKCCFQ-GFCCVEGCSA-N 0 0 345.380 2.663 10 5 EFBERN C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)CC(F)F ZINC000592672687 478991193 /nfs/dbraw/zinc/99/11/93/478991193.db2.gz OKAJFXBWSBWDIA-JTQLQIEISA-N 0 0 338.314 2.802 10 5 EFBERN C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)CC(F)F ZINC000592672689 478991345 /nfs/dbraw/zinc/99/13/45/478991345.db2.gz OKAJFXBWSBWDIA-SNVBAGLBSA-N 0 0 338.314 2.802 10 5 EFBERN COCC1(C2CC2)CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000601768622 478992409 /nfs/dbraw/zinc/99/24/09/478992409.db2.gz RDYLZJVOMDFPPV-NSHDSACASA-N 0 0 336.363 2.722 10 5 EFBERN COCC1(C2CC2)CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000601768620 478992454 /nfs/dbraw/zinc/99/24/54/478992454.db2.gz RDYLZJVOMDFPPV-LLVKDONJSA-N 0 0 336.363 2.722 10 5 EFBERN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595783067 478995620 /nfs/dbraw/zinc/99/56/20/478995620.db2.gz QAZDPUQRETZVPD-BPNCWPANSA-N 0 0 344.371 2.599 10 5 EFBERN C[C@H](C(=O)NCc1c2c(nn1C)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000584027345 478995843 /nfs/dbraw/zinc/99/58/43/478995843.db2.gz IXJZUODSCAPZQJ-LBPRGKRZSA-N 0 0 342.399 2.627 10 5 EFBERN C[C@H]1CCC[C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000595782797 478995976 /nfs/dbraw/zinc/99/59/76/478995976.db2.gz MGYPKIGOCYREMR-BBRMVZONSA-N 0 0 335.404 2.736 10 5 EFBERN C[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000601776147 478996054 /nfs/dbraw/zinc/99/60/54/478996054.db2.gz HDDHOKDNGIXZJO-BZNIZROVSA-N 0 0 334.397 2.784 10 5 EFBERN C[C@](CO)(NC(=O)[C@@H]1CCCC2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000601774752 478996383 /nfs/dbraw/zinc/99/63/83/478996383.db2.gz DKYJEZYGLQAPSH-CXAGYDPISA-N 0 0 332.400 2.889 10 5 EFBERN C[C@](CO)(NC(=O)CCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601775502 478996395 /nfs/dbraw/zinc/99/63/95/478996395.db2.gz FFTJZKUQOHIJHY-LJQANCHMSA-N 0 0 342.395 2.941 10 5 EFBERN Cc1cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000601774696 478996451 /nfs/dbraw/zinc/99/64/51/478996451.db2.gz CPAPDSXGTMKXET-MRXNPFEDSA-N 0 0 334.397 2.911 10 5 EFBERN C[C@](CO)(NC(=O)[C@H]1C[C@H]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601775574 478996627 /nfs/dbraw/zinc/99/66/27/478996627.db2.gz FXUHZXPDDDKVRF-XYJFISCASA-N 0 0 332.400 2.745 10 5 EFBERN Cc1ccc(S(=O)(=O)NC(C)(C)C(C)(F)F)c(C)c1[N+](=O)[O-] ZINC000598736519 478996626 /nfs/dbraw/zinc/99/66/26/478996626.db2.gz XLADKVGMCSZHIV-UHFFFAOYSA-N 0 0 336.360 2.924 10 5 EFBERN Cc1cccc(C2(NC(=O)CCn3cc([N+](=O)[O-])cn3)CCC2)c1 ZINC000592685426 478996755 /nfs/dbraw/zinc/99/67/55/478996755.db2.gz LNFGGAHWCGXSMT-UHFFFAOYSA-N 0 0 328.372 2.685 10 5 EFBERN Cc1ccc(F)c(CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601778581 478999156 /nfs/dbraw/zinc/99/91/56/478999156.db2.gz NLDNXXMCEFQFMU-SFHVURJKSA-N 0 0 346.358 2.609 10 5 EFBERN CCc1ccccc1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601779380 478999567 /nfs/dbraw/zinc/99/95/67/478999567.db2.gz QRQNBCXLXPERFA-SFHVURJKSA-N 0 0 328.368 2.795 10 5 EFBERN C[C@@](CO)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc([N+](=O)[O-])c1 ZINC000601779415 478999871 /nfs/dbraw/zinc/99/98/71/478999871.db2.gz RKLWHWLNWUJKJZ-RGFKIIKPSA-N 0 0 330.384 2.521 10 5 EFBERN CC(C)(C)C1CC(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601781369 479000648 /nfs/dbraw/zinc/00/06/48/479000648.db2.gz VQFCCGAEIKGVJZ-OOKWDQIISA-N 0 0 334.416 2.991 10 5 EFBERN CCn1c(C)cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1C ZINC000601782194 479002035 /nfs/dbraw/zinc/00/20/35/479002035.db2.gz WXXGMOGTWINGOJ-GOSISDBHSA-N 0 0 345.399 2.671 10 5 EFBERN CC[C@H](CC(F)(F)F)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601782212 479002107 /nfs/dbraw/zinc/00/21/07/479002107.db2.gz XFDOQIQSAGWHED-QMTHXVAHSA-N 0 0 348.321 2.897 10 5 EFBERN C[C@H](Cc1ccccc1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601782198 479002376 /nfs/dbraw/zinc/00/23/76/479002376.db2.gz WZCGTFXHOSTIEU-KUHUBIRLSA-N 0 0 342.395 2.797 10 5 EFBERN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592695510 479002661 /nfs/dbraw/zinc/00/26/61/479002661.db2.gz MKWMABYTSSROGR-DZGCQCFKSA-N 0 0 334.420 2.856 10 5 EFBERN CCc1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601784922 479003471 /nfs/dbraw/zinc/00/34/71/479003471.db2.gz GVDNEMZFHJNAGD-GOSISDBHSA-N 0 0 328.368 2.795 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000592696310 479003565 /nfs/dbraw/zinc/00/35/65/479003565.db2.gz VNOQNFJTVSCPIE-UONOGXRCSA-N 0 0 334.420 2.775 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000592697147 479003943 /nfs/dbraw/zinc/00/39/43/479003943.db2.gz PLMDAIZVHMQINE-JGZJWPJOSA-N 0 0 332.360 2.547 10 5 EFBERN Cc1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000601789963 479006707 /nfs/dbraw/zinc/00/67/07/479006707.db2.gz XFFGAJJAPDGXSB-GOSISDBHSA-N 0 0 328.368 2.849 10 5 EFBERN CSc1cccc(C(=O)N2CCO[C@H](C(F)F)CC2)c1[N+](=O)[O-] ZINC000601797492 479009945 /nfs/dbraw/zinc/00/99/45/479009945.db2.gz FDYZDUKVAXIZCT-JTQLQIEISA-N 0 0 346.355 2.813 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@H](C(F)F)CC1 ZINC000601798022 479009983 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10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC2(CCCC2)OC[C@@H]1C ZINC000595816423 479013752 /nfs/dbraw/zinc/01/37/52/479013752.db2.gz WZPYENKOUQFONE-AWEZNQCLSA-N 0 0 347.415 2.875 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC2(CCCC2)OC[C@H]1C ZINC000595816427 479014274 /nfs/dbraw/zinc/01/42/74/479014274.db2.gz WZPYENKOUQFONE-CQSZACIVSA-N 0 0 347.415 2.875 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Cl)c3)CCC2)n1 ZINC000592722768 479014362 /nfs/dbraw/zinc/01/43/62/479014362.db2.gz XDZWDWRLHMXRPN-UHFFFAOYSA-N 0 0 334.763 2.791 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nccc(C)c1C1CC1 ZINC000598763815 479014439 /nfs/dbraw/zinc/01/44/39/479014439.db2.gz LAEUKVSVVQOSEY-UHFFFAOYSA-N 0 0 329.360 2.709 10 5 EFBERN CC(C)[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000595818527 479015357 /nfs/dbraw/zinc/01/53/57/479015357.db2.gz OTQYHRHREUTRGA-QGZVFWFLSA-N 0 0 346.431 2.861 10 5 EFBERN COc1ccc(C)cc1Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000546248130 479016023 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EFBERN CO[C@H](C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000598810785 479033637 /nfs/dbraw/zinc/03/36/37/479033637.db2.gz NOKBIOIDHZSZKJ-HNNXBMFYSA-N 0 0 330.344 2.534 10 5 EFBERN C[C@@H](CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000598810140 479034235 /nfs/dbraw/zinc/03/42/35/479034235.db2.gz JZTIEUVQVDNDIP-WFASDCNBSA-N 0 0 344.371 2.924 10 5 EFBERN CO[C@H]1CC[C@@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000598810188 479034257 /nfs/dbraw/zinc/03/42/57/479034257.db2.gz KLSSGCRPTGAEGP-RISCZKNCSA-N 0 0 330.344 2.534 10 5 EFBERN CC(C)(C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)n1cccn1 ZINC000598813195 479034758 /nfs/dbraw/zinc/03/47/58/479034758.db2.gz APOAMHPSXDNGSU-CQSZACIVSA-N 0 0 346.412 2.801 10 5 EFBERN COC(=O)C1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC2(CCC2)C1 ZINC000598812928 479034868 /nfs/dbraw/zinc/03/48/68/479034868.db2.gz MBUXGSHHYXVOLZ-UHFFFAOYSA-N 0 0 344.367 2.607 10 5 EFBERN Cn1ncc(C(F)(F)F)c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000598813717 479036021 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EFBERN CO[C@H]1CC[C@@H](C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598828277 479044406 /nfs/dbraw/zinc/04/44/06/479044406.db2.gz PCTUUIWTNFTRSU-YPMHNXCESA-N 0 0 329.356 2.627 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)n1 ZINC000601873958 479051628 /nfs/dbraw/zinc/05/16/28/479051628.db2.gz IRWXKONGMYFLMW-AULYBMBSSA-N 0 0 346.412 2.864 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC000601873250 479051845 /nfs/dbraw/zinc/05/18/45/479051845.db2.gz CCZBOKDYZXZAES-MQMHXKEQSA-N 0 0 346.412 2.539 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887887 479052208 /nfs/dbraw/zinc/05/22/08/479052208.db2.gz VRBPWOLPZBLUGN-LBPRGKRZSA-N 0 0 334.294 2.757 10 5 EFBERN COc1ccc(CC(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601880692 479055070 /nfs/dbraw/zinc/05/50/70/479055070.db2.gz CZNMJPXHXXTSSH-WMZOPIPTSA-N 0 0 348.399 2.610 10 5 EFBERN O=[N+]([O-])c1ccccc1OCCN1CCO[C@H](CC(F)(F)F)C1 ZINC000595892482 479056151 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330.388 2.575 10 5 EFBERN COc1cc(NCCOC[C@@H]2CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596119448 479150122 /nfs/dbraw/zinc/15/01/22/479150122.db2.gz CNNDTRGKDMWNGI-SNVBAGLBSA-N 0 0 330.768 2.722 10 5 EFBERN Cn1cc([C@@H]2C[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000573814704 479151611 /nfs/dbraw/zinc/15/16/11/479151611.db2.gz ULQDSKCPVCBNQE-HNNXBMFYSA-N 0 0 330.388 2.660 10 5 EFBERN CS(=O)(=O)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCC1 ZINC000599075871 479152607 /nfs/dbraw/zinc/15/26/07/479152607.db2.gz AQQWXHWJCWYKGW-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN C[C@@H]1OCC[C@]12CN(c1ccc3cnccc3c1[N+](=O)[O-])C[C@@H](C)O2 ZINC000599078928 479152782 /nfs/dbraw/zinc/15/27/82/479152782.db2.gz KNIKTACXQNJACR-VBHSOAQHSA-N 0 0 343.383 2.916 10 5 EFBERN CN(CCN1CCOC(C)(C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599081825 479153895 /nfs/dbraw/zinc/15/38/95/479153895.db2.gz VJPTZSBORWFXDJ-UHFFFAOYSA-N 0 0 344.415 2.690 10 5 EFBERN COC(=O)c1c(Cl)c(SC[C@H](C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000596129174 479154586 /nfs/dbraw/zinc/15/45/86/479154586.db2.gz PLNJXAFJQQPKRR-ZETCQYMHSA-N 0 0 347.776 2.936 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCCC(=O)Nc2ncccc2C)n1 ZINC000599085786 479154882 /nfs/dbraw/zinc/15/48/82/479154882.db2.gz CVTSHGZGGLPLGR-UHFFFAOYSA-N 0 0 329.360 2.751 10 5 EFBERN CC(C)(C)C1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596132719 479156216 /nfs/dbraw/zinc/15/62/16/479156216.db2.gz OIUMXAPHCNBLPW-UHFFFAOYSA-N 0 0 341.433 2.505 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000599087608 479156569 /nfs/dbraw/zinc/15/65/69/479156569.db2.gz LDSDGEYYLKIXQU-IINYFYTJSA-N 0 0 341.289 2.893 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@H](C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000596135009 479158145 /nfs/dbraw/zinc/15/81/45/479158145.db2.gz BYUKZSWTZUCWMO-DTWKUNHWSA-N 0 0 330.768 2.854 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CC(N2CCOCC2)C1 ZINC000599094247 479159510 /nfs/dbraw/zinc/15/95/10/479159510.db2.gz FGEKKIZZOJPQEN-UHFFFAOYSA-N 0 0 345.321 2.889 10 5 EFBERN COc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596141070 479160082 /nfs/dbraw/zinc/16/00/82/479160082.db2.gz FZEFLRVPHYTQIO-KBVBSXBZSA-N 0 0 339.779 2.678 10 5 EFBERN C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000596140332 479160394 /nfs/dbraw/zinc/16/03/94/479160394.db2.gz GQJHKRMKNMERJM-HZMBPMFUSA-N 0 0 333.319 2.801 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)CC[S@](C)=O)ccc1[N+](=O)[O-] ZINC000596143086 479161417 /nfs/dbraw/zinc/16/14/17/479161417.db2.gz WRVQEPWAEIGLLE-PJLCYMMNSA-N 0 0 348.808 2.604 10 5 EFBERN CNC(=O)c1ccc(N2CC[C@@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC000599101540 479161729 /nfs/dbraw/zinc/16/17/29/479161729.db2.gz QQHDEXYZABUXQJ-CQSZACIVSA-N 0 0 340.383 2.652 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](c3cnn(C)c3)C(C)(C)C2)n1 ZINC000599106312 479162598 /nfs/dbraw/zinc/16/25/98/479162598.db2.gz FCSZFAJNIZXIMQ-CQSZACIVSA-N 0 0 329.404 2.970 10 5 EFBERN Cn1cc([C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2(C)C)cn1 ZINC000599109809 479163824 /nfs/dbraw/zinc/16/38/24/479163824.db2.gz YOTVGBLLNNJAED-CYBMUJFWSA-N 0 0 340.387 2.835 10 5 EFBERN Cc1cn2c(n1)C[C@@H](c1nc(Cc3ccccc3[N+](=O)[O-])no1)CC2 ZINC000599114076 479164898 /nfs/dbraw/zinc/16/48/98/479164898.db2.gz UKEZVZHTHSWRRU-ZDUSSCGKSA-N 0 0 339.355 2.804 10 5 EFBERN COC[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596151528 479164987 /nfs/dbraw/zinc/16/49/87/479164987.db2.gz RJFPNARBLFWHEX-SECBINFHSA-N 0 0 328.752 2.650 10 5 EFBERN COC(=O)c1c(Cl)c(N(CCCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000596150272 479165430 /nfs/dbraw/zinc/16/54/30/479165430.db2.gz WMSGHAWYKALZRB-UHFFFAOYSA-N 0 0 342.779 2.776 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000599115446 479166239 /nfs/dbraw/zinc/16/62/39/479166239.db2.gz MHPRNNWBPOAEGG-BBBLOLIVSA-N 0 0 330.431 2.908 10 5 EFBERN Nc1c(F)c(NC[C@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599117828 479166460 /nfs/dbraw/zinc/16/64/60/479166460.db2.gz RXQHDBIFDWIXNZ-VIFPVBQESA-N 0 0 333.245 2.728 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](n1cccn1)C(F)(F)F ZINC000599117215 479166709 /nfs/dbraw/zinc/16/67/09/479166709.db2.gz NVBYTDAJMMBALE-SECBINFHSA-N 0 0 332.286 2.532 10 5 EFBERN Cn1ncc(C(F)(F)F)c1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000599118575 479167106 /nfs/dbraw/zinc/16/71/06/479167106.db2.gz KRXVJVBCOJDPKE-UHFFFAOYSA-N 0 0 346.294 2.668 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1(C)COc2ccccc2O1 ZINC000599117071 479167175 /nfs/dbraw/zinc/16/71/75/479167175.db2.gz KFFIJBILYXMPCS-MRXNPFEDSA-N 0 0 332.360 2.762 10 5 EFBERN COCC1(C)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000556093547 479167939 /nfs/dbraw/zinc/16/79/39/479167939.db2.gz JWFBUJOPSZGHSY-UHFFFAOYSA-N 0 0 336.391 2.790 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCCOC1 ZINC000599120747 479168071 /nfs/dbraw/zinc/16/80/71/479168071.db2.gz XHICYELTOLEJDY-AWEZNQCLSA-N 0 0 335.404 2.595 10 5 EFBERN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)n1[C@@H]1CCOC1 ZINC000599119372 479168110 /nfs/dbraw/zinc/16/81/10/479168110.db2.gz QKYPWSSTMZBVQB-MRXNPFEDSA-N 0 0 343.383 2.905 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCc1c(C(F)(F)F)cnn1C ZINC000599123713 479168867 /nfs/dbraw/zinc/16/88/67/479168867.db2.gz FXXBTQRNKCDCQZ-UHFFFAOYSA-N 0 0 330.266 2.968 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3CO2)c1 ZINC000599124714 479169035 /nfs/dbraw/zinc/16/90/35/479169035.db2.gz QEFHIRQLVDYOOV-HNNXBMFYSA-N 0 0 342.351 2.935 10 5 EFBERN CC(C)(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000593092035 479169159 /nfs/dbraw/zinc/16/91/59/479169159.db2.gz RPGHUOKYADURDR-HNNXBMFYSA-N 0 0 338.379 2.988 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@H]2Cc3ccccc3CO2)nc2sccn21 ZINC000599123278 479169378 /nfs/dbraw/zinc/16/93/78/479169378.db2.gz DNVQEANXXNPCPM-LBPRGKRZSA-N 0 0 330.369 2.857 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1Cc2ccccc2CO1 ZINC000599124753 479169536 /nfs/dbraw/zinc/16/95/36/479169536.db2.gz ROBZRSCKWJELNQ-HNNXBMFYSA-N 0 0 341.367 2.508 10 5 EFBERN COc1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596157253 479169834 /nfs/dbraw/zinc/16/98/34/479169834.db2.gz RUROROOBXBRUBT-DZGCQCFKSA-N 0 0 342.779 2.641 10 5 EFBERN CC(C)(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000593092039 479169871 /nfs/dbraw/zinc/16/98/71/479169871.db2.gz RPGHUOKYADURDR-OAHLLOKOSA-N 0 0 338.379 2.988 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)OCC23CCC3)c1 ZINC000593092052 479169886 /nfs/dbraw/zinc/16/98/86/479169886.db2.gz MFLWULRDGDYRLP-GFCCVEGCSA-N 0 0 334.372 2.525 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599125674 479170106 /nfs/dbraw/zinc/17/01/06/479170106.db2.gz ABLQAQWVCZFRET-CYBMUJFWSA-N 0 0 348.403 2.595 10 5 EFBERN COc1ccc([N+](=O)[O-])c(NCc2c(C(F)(F)F)cnn2C)c1 ZINC000599124959 479170423 /nfs/dbraw/zinc/17/04/23/479170423.db2.gz WIIZDCSHUNXSPW-UHFFFAOYSA-N 0 0 330.266 2.968 10 5 EFBERN COc1ccc(OCCN2C[C@H](C)OCC23CCC3)c([N+](=O)[O-])c1 ZINC000593093497 479171454 /nfs/dbraw/zinc/17/14/54/479171454.db2.gz UHSLJOOEJPGEKQ-ZDUSSCGKSA-N 0 0 336.388 2.626 10 5 EFBERN COC(=O)[C@]1(C)CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596161357 479172448 /nfs/dbraw/zinc/17/24/48/479172448.db2.gz VRYARQXYGQRBJK-CQSZACIVSA-N 0 0 328.752 2.646 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596162347 479172652 /nfs/dbraw/zinc/17/26/52/479172652.db2.gz LMVSWRPNVZFXFZ-BDAKNGLRSA-N 0 0 328.752 2.648 10 5 EFBERN COC(=O)c1ccc(F)c2c1CN(c1ncc([N+](=O)[O-])s1)CC2 ZINC000599132981 479172830 /nfs/dbraw/zinc/17/28/30/479172830.db2.gz NUBVKZWNMWRDQK-UHFFFAOYSA-N 0 0 337.332 2.540 10 5 EFBERN COC(=O)c1ccc(F)c2c1CN(c1cc(C)c([N+](=O)[O-])cn1)CC2 ZINC000599132393 479173239 /nfs/dbraw/zinc/17/32/39/479173239.db2.gz AEOOHTFNIKMVEY-UHFFFAOYSA-N 0 0 345.330 2.787 10 5 EFBERN CCOC(=O)c1ccnc(N2CC(OC(C)(C)CC)C2)c1[N+](=O)[O-] ZINC000599136005 479175853 /nfs/dbraw/zinc/17/58/53/479175853.db2.gz BHRSWSMEXGASQW-UHFFFAOYSA-N 0 0 337.376 2.560 10 5 EFBERN CC1(C)CC(=O)CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000599138274 479177492 /nfs/dbraw/zinc/17/74/92/479177492.db2.gz YVYHWLZAENXGPJ-UHFFFAOYSA-N 0 0 342.193 2.948 10 5 EFBERN Cc1cc([C@@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)CCO2)ccc1F ZINC000596176396 479181085 /nfs/dbraw/zinc/18/10/85/479181085.db2.gz FUCJQAWFEMBJIP-AWEZNQCLSA-N 0 0 332.335 2.597 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593115217 479181768 /nfs/dbraw/zinc/18/17/68/479181768.db2.gz AMUDVZIJJFZSLB-YGRLFVJLSA-N 0 0 325.315 2.653 10 5 EFBERN O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000610768810 479182760 /nfs/dbraw/zinc/18/27/60/479182760.db2.gz ZTLDQIIGZPYUHE-UHFFFAOYSA-N 0 0 339.273 2.981 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(CC2(F)F)C1 ZINC000593116270 479183203 /nfs/dbraw/zinc/18/32/03/479183203.db2.gz HACBPQUNVHRXID-CQSZACIVSA-N 0 0 325.315 2.573 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC2(F)F)C1 ZINC000593116869 479184125 /nfs/dbraw/zinc/18/41/25/479184125.db2.gz JKDNGBQWCVJCKB-YGRLFVJLSA-N 0 0 325.315 2.653 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCN(C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596181934 479186239 /nfs/dbraw/zinc/18/62/39/479186239.db2.gz HWTQKALXKODYDV-NXEZZACHSA-N 0 0 341.795 2.564 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C(=O)OC)C1CCCCC1 ZINC000599158150 479186390 /nfs/dbraw/zinc/18/63/90/479186390.db2.gz HNMFGRWFARSIIQ-ZDUSSCGKSA-N 0 0 338.408 2.901 10 5 EFBERN COC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000599159820 479186872 /nfs/dbraw/zinc/18/68/72/479186872.db2.gz UCEHYDUJVJDQBU-LBPRGKRZSA-N 0 0 325.340 2.910 10 5 EFBERN C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000596188604 479188856 /nfs/dbraw/zinc/18/88/56/479188856.db2.gz JDLNJHWRSAERHX-CYBMUJFWSA-N 0 0 328.372 2.635 10 5 EFBERN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000573981874 479189189 /nfs/dbraw/zinc/18/91/89/479189189.db2.gz ZGLCKUOMYDWALI-LSDHHAIUSA-N 0 0 344.392 2.700 10 5 EFBERN COC(=O)c1c(Cl)c(NCC2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000596193037 479190340 /nfs/dbraw/zinc/19/03/40/479190340.db2.gz JBGZUPZKKBERBT-UHFFFAOYSA-N 0 0 328.752 2.609 10 5 EFBERN CC1(C)[C@@H](c2ccc(F)cc2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000599166679 479191434 /nfs/dbraw/zinc/19/14/34/479191434.db2.gz SXNHMKINROLYPL-GFCCVEGCSA-N 0 0 331.351 2.709 10 5 EFBERN C[C@@H]1N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000593125764 479191775 /nfs/dbraw/zinc/19/17/75/479191775.db2.gz DUHUQTWJEUYJIA-LBPRGKRZSA-N 0 0 336.363 2.694 10 5 EFBERN O=[N+]([O-])c1cccc2c(N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)ccnc21 ZINC000599167871 479192873 /nfs/dbraw/zinc/19/28/73/479192873.db2.gz SGIKMHPDOZRGRO-YCDSQXFLSA-N 0 0 331.397 2.633 10 5 EFBERN Cc1cc(N2CCO[C@H](CCF)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599168442 479193141 /nfs/dbraw/zinc/19/31/41/479193141.db2.gz DUMDJVDYEPBZRO-OAHLLOKOSA-N 0 0 346.362 2.925 10 5 EFBERN O=[N+]([O-])c1cc(CN2Cc3ccccc3CO2)c2c(c1)COCO2 ZINC000603009888 479193468 /nfs/dbraw/zinc/19/34/68/479193468.db2.gz AHVISVMXPIZYDR-UHFFFAOYSA-N 0 0 328.324 2.909 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000596200407 479194835 /nfs/dbraw/zinc/19/48/35/479194835.db2.gz LLKVIQTUUDWOPY-UHFFFAOYSA-N 0 0 348.794 2.570 10 5 EFBERN O=[N+]([O-])c1cc(N2CC(F)(F)C[C@@H]2CO)ccc1C(F)(F)F ZINC000596202650 479196151 /nfs/dbraw/zinc/19/61/51/479196151.db2.gz WCWUUPLTHWSQLE-MRVPVSSYSA-N 0 0 326.221 2.820 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599179369 479196603 /nfs/dbraw/zinc/19/66/03/479196603.db2.gz FNORYJOZTAXJNG-BDJLRTHQSA-N 0 0 329.356 2.553 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CO[C@H](C2CC2)C1 ZINC000599179370 479197106 /nfs/dbraw/zinc/19/71/06/479197106.db2.gz FNORYJOZTAXJNG-BZNIZROVSA-N 0 0 329.356 2.553 10 5 EFBERN COC(=O)C(C)(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000610824259 479197902 /nfs/dbraw/zinc/19/79/02/479197902.db2.gz WBACXHQSFQKYCI-CQSZACIVSA-N 0 0 345.355 2.593 10 5 EFBERN C[C@H]1CC(=O)N(C)c2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc21 ZINC000599181564 479198414 /nfs/dbraw/zinc/19/84/14/479198414.db2.gz FACPDGUWXAXPHT-VIFPVBQESA-N 0 0 328.328 2.909 10 5 EFBERN COc1cccc([C@@H](C[N+](=O)[O-])[C@H]2Cc3ccccc3OC2=O)c1 ZINC000584654280 479198840 /nfs/dbraw/zinc/19/88/40/479198840.db2.gz VTUKEYGTENKTMB-HZPDHXFCSA-N 0 0 327.336 2.833 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000596209978 479201454 /nfs/dbraw/zinc/20/14/54/479201454.db2.gz DEQSMXPKYGQPMC-IXDOHACOSA-N 0 0 341.342 2.871 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000599189617 479202383 /nfs/dbraw/zinc/20/23/83/479202383.db2.gz IWZMZJQDPPHJRD-NXEZZACHSA-N 0 0 342.779 2.632 10 5 EFBERN COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)Cc2ccccc21 ZINC000599189098 479203151 /nfs/dbraw/zinc/20/31/51/479203151.db2.gz WSVRXOORXULSQK-ZDUSSCGKSA-N 0 0 347.758 2.920 10 5 EFBERN Cc1cc(OCc2nc([C@H](C)c3cnccn3)no2)ccc1[N+](=O)[O-] ZINC000599192266 479204124 /nfs/dbraw/zinc/20/41/24/479204124.db2.gz FOKIILUERFAERK-LLVKDONJSA-N 0 0 341.327 2.807 10 5 EFBERN CCOc1cc(N[C@@H]2CCO[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000599195415 479205170 /nfs/dbraw/zinc/20/51/70/479205170.db2.gz MYYPOJUTEBJSJY-RISCZKNCSA-N 0 0 334.332 2.627 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599198399 479205620 /nfs/dbraw/zinc/20/56/20/479205620.db2.gz KIWFVSKXDGLRPK-OQMKEHIESA-N 0 0 335.404 2.591 10 5 EFBERN Cn1c2cc(NC[C@@H]3CCCC34CC4)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599198033 479205695 /nfs/dbraw/zinc/20/56/95/479205695.db2.gz FTMUAXIKKDTGSH-NSHDSACASA-N 0 0 330.388 2.777 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599196498 479206068 /nfs/dbraw/zinc/20/60/68/479206068.db2.gz SNNXDQZHMNRWKH-AMKSKSKJSA-N 0 0 329.356 2.501 10 5 EFBERN CCc1cc(NC[C@H]2C[C@@H](OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599205086 479208305 /nfs/dbraw/zinc/20/83/05/479208305.db2.gz DBSDOLGSLSABFK-DRQUAOQDSA-N 0 0 342.399 2.873 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H]2C[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000599206077 479208586 /nfs/dbraw/zinc/20/85/86/479208586.db2.gz MYDVBQLURDJKGO-DTORHVGOSA-N 0 0 328.752 2.872 10 5 EFBERN COC[C@@]1(C)CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000599203461 479208626 /nfs/dbraw/zinc/20/86/26/479208626.db2.gz VMSONIJYGWAGIZ-CYBMUJFWSA-N 0 0 334.294 2.855 10 5 EFBERN C[C@@]12CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000593161773 479212526 /nfs/dbraw/zinc/21/25/26/479212526.db2.gz FQTPNPFLZXFVQV-GXTWGEPZSA-N 0 0 328.290 2.780 10 5 EFBERN CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000596229734 479213395 /nfs/dbraw/zinc/21/33/95/479213395.db2.gz FDFQBYMLTVHNPX-JTQLQIEISA-N 0 0 341.795 2.565 10 5 EFBERN C[C@@]12CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000593166962 479214413 /nfs/dbraw/zinc/21/44/13/479214413.db2.gz UBHHADRBLGZYRA-CWYPUQQXSA-N 0 0 330.359 2.947 10 5 EFBERN COc1cc(NCCc2csc(N)n2)c(Cl)cc1[N+](=O)[O-] ZINC000596232725 479215191 /nfs/dbraw/zinc/21/51/91/479215191.db2.gz DIQWGQVYXRQJFE-UHFFFAOYSA-N 0 0 328.781 2.780 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000596235434 479216694 /nfs/dbraw/zinc/21/66/94/479216694.db2.gz CQXJJRCNKAIWHY-LLVKDONJSA-N 0 0 342.779 2.998 10 5 EFBERN CC(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000596235573 479216922 /nfs/dbraw/zinc/21/69/22/479216922.db2.gz WTMUMZYMJJLZII-SNVBAGLBSA-N 0 0 342.193 2.638 10 5 EFBERN Cc1noc(CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c1[N+](=O)[O-] ZINC000596238301 479217438 /nfs/dbraw/zinc/21/74/38/479217438.db2.gz OZCDKMNHKRQLFJ-UHFFFAOYSA-N 0 0 347.356 2.844 10 5 EFBERN COC(=O)c1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000610873830 479217509 /nfs/dbraw/zinc/21/75/09/479217509.db2.gz PRVDBXPXZWJDBW-UHFFFAOYSA-N 0 0 346.314 2.793 10 5 EFBERN CCN(C[C@@H](C)OC)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596239884 479217903 /nfs/dbraw/zinc/21/79/03/479217903.db2.gz NOMGXPALYTXRSN-SECBINFHSA-N 0 0 330.768 2.896 10 5 EFBERN Cc1ccccc1C1(NC(=O)Nc2ccncc2[N+](=O)[O-])CCC1 ZINC000593175173 479220412 /nfs/dbraw/zinc/22/04/12/479220412.db2.gz DWTAYYQHRFIEKN-UHFFFAOYSA-N 0 0 326.356 2.921 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@H](OC)C2CC2)ccc1[N+](=O)[O-] ZINC000596242921 479221518 /nfs/dbraw/zinc/22/15/18/479221518.db2.gz DNOCUGOYLQOGEN-LLVKDONJSA-N 0 0 328.752 2.872 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2cc(OC)c(C)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000596246712 479222257 /nfs/dbraw/zinc/22/22/57/479222257.db2.gz FVYGQYAATCGXKE-KBRIMQKVSA-N 0 0 346.387 2.939 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cc(OC)c(C)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000596246715 479222796 /nfs/dbraw/zinc/22/27/96/479222796.db2.gz FVYGQYAATCGXKE-XKQJLSEDSA-N 0 0 346.387 2.939 10 5 EFBERN NC(=O)c1cc(N2CCC(F)(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000596252194 479225294 /nfs/dbraw/zinc/22/52/94/479225294.db2.gz HGQDBPFZBKLLTD-UHFFFAOYSA-N 0 0 344.346 2.554 10 5 EFBERN C[C@@]1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCCO1 ZINC000574145440 479225683 /nfs/dbraw/zinc/22/56/83/479225683.db2.gz DRNSECAWQAUPDB-ZDUSSCGKSA-N 0 0 332.278 2.913 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593181771 479225743 /nfs/dbraw/zinc/22/57/43/479225743.db2.gz HKAIJJJAMHDELO-HUUCEWRRSA-N 0 0 349.387 2.622 10 5 EFBERN C[C@]1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCCO1 ZINC000574145439 479226065 /nfs/dbraw/zinc/22/60/65/479226065.db2.gz DRNSECAWQAUPDB-CYBMUJFWSA-N 0 0 332.278 2.913 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)c2ccc(F)cn2)n1 ZINC000593184428 479226710 /nfs/dbraw/zinc/22/67/10/479226710.db2.gz JXARXOYUYWTDGM-UHFFFAOYSA-N 0 0 335.339 2.648 10 5 EFBERN COc1ccc(N2CCN(c3cc(C)sc3[N+](=O)[O-])CC2)nc1 ZINC000596261146 479230321 /nfs/dbraw/zinc/23/03/21/479230321.db2.gz TWVKMSJNVKQHKG-UHFFFAOYSA-N 0 0 334.401 2.695 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000596274055 479233663 /nfs/dbraw/zinc/23/36/63/479233663.db2.gz OUCCNRWWJJYFJO-GARJFASQSA-N 0 0 341.205 2.955 10 5 EFBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCO[C@H](C)C1 ZINC000596278353 479235989 /nfs/dbraw/zinc/23/59/89/479235989.db2.gz PPJUVVGDPMPHPX-ZIAGYGMSSA-N 0 0 331.372 2.671 10 5 EFBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCO[C@H](C)C1 ZINC000596278351 479236053 /nfs/dbraw/zinc/23/60/53/479236053.db2.gz PPJUVVGDPMPHPX-KGLIPLIRSA-N 0 0 331.372 2.671 10 5 EFBERN Cn1cnc(CCCNc2c(Br)cccc2[N+](=O)[O-])n1 ZINC000596285820 479238833 /nfs/dbraw/zinc/23/88/33/479238833.db2.gz DUTHIZYGHRAPSH-UHFFFAOYSA-N 0 0 340.181 2.531 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(Cn3cc4c(n3)CCOC4)co2)cc1 ZINC000596286056 479239445 /nfs/dbraw/zinc/23/94/45/479239445.db2.gz HROVIWOIRVBPGR-UHFFFAOYSA-N 0 0 326.312 2.567 10 5 EFBERN COc1cc(NCC(C)(C)[C@@]2(O)CCOC2)c(Cl)cc1[N+](=O)[O-] ZINC000596288132 479240172 /nfs/dbraw/zinc/24/01/72/479240172.db2.gz AUGNBKDMLZZCJM-OAHLLOKOSA-N 0 0 344.795 2.846 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000593209448 479241673 /nfs/dbraw/zinc/24/16/73/479241673.db2.gz SDOWXUZEEQJKGV-UHFFFAOYSA-N 0 0 349.387 2.762 10 5 EFBERN COc1c(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cccc1[N+](=O)[O-] ZINC000593215259 479244308 /nfs/dbraw/zinc/24/43/08/479244308.db2.gz FKXYKXMCBCJLAW-UHFFFAOYSA-N 0 0 343.339 2.835 10 5 EFBERN CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000610968947 479246508 /nfs/dbraw/zinc/24/65/08/479246508.db2.gz PRMQCHRBWBQYPH-UHFFFAOYSA-N 0 0 337.335 2.573 10 5 EFBERN Cc1nn(Cc2ccc(F)cc2[N+](=O)[O-])c(C)c1[C@@H]1CCC(=O)N1 ZINC000596305294 479247251 /nfs/dbraw/zinc/24/72/51/479247251.db2.gz SZXWVRFUVPPQSE-ZDUSSCGKSA-N 0 0 332.335 2.547 10 5 EFBERN CCOc1ccc(C(=O)N(C)Cc2ccc(OC)nc2)cc1[N+](=O)[O-] ZINC000610975863 479248371 /nfs/dbraw/zinc/24/83/71/479248371.db2.gz CJXVEQFTKOTUQQ-UHFFFAOYSA-N 0 0 345.355 2.669 10 5 EFBERN CCOC(=O)CCC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000610982217 479250135 /nfs/dbraw/zinc/25/01/35/479250135.db2.gz ZLTBHUDZXGLMTE-UHFFFAOYSA-N 0 0 340.401 2.852 10 5 EFBERN CCOC(=O)CCC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000610981463 479251040 /nfs/dbraw/zinc/25/10/40/479251040.db2.gz ZTLXWGCZTAXOMJ-UHFFFAOYSA-N 0 0 348.399 2.719 10 5 EFBERN Cc1cc(NCCC2(CS(C)(=O)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000596316960 479251305 /nfs/dbraw/zinc/25/13/05/479251305.db2.gz KLEVIIZRJFNFKT-UHFFFAOYSA-N 0 0 330.381 2.669 10 5 EFBERN CO[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596316300 479251987 /nfs/dbraw/zinc/25/19/87/479251987.db2.gz DUFJCOQAPFDVBQ-ZANVPECISA-N 0 0 345.193 2.821 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(C(C)C)n1 ZINC000593232748 479252659 /nfs/dbraw/zinc/25/26/59/479252659.db2.gz PDAYKKPVPVSJAP-CYBMUJFWSA-N 0 0 331.376 2.975 10 5 EFBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCOC1 ZINC000596319650 479252901 /nfs/dbraw/zinc/25/29/01/479252901.db2.gz YZRFSRUYSQHEFT-NOZJJQNGSA-N 0 0 332.303 2.660 10 5 EFBERN CO[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)[C@H]1CCOC1 ZINC000596319429 479253160 /nfs/dbraw/zinc/25/31/60/479253160.db2.gz YCLMILJNMIJFKZ-TVQRCGJNSA-N 0 0 332.303 2.660 10 5 EFBERN CO[C@@H](CSCCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000596331800 479255825 /nfs/dbraw/zinc/25/58/25/479255825.db2.gz GVLKAIXXXBGGHG-WFASDCNBSA-N 0 0 327.402 2.758 10 5 EFBERN COC[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C1CCOCC1 ZINC000596329720 479256017 /nfs/dbraw/zinc/25/60/17/479256017.db2.gz LNTPDKFJGJTURE-INIZCTEOSA-N 0 0 331.372 2.997 10 5 EFBERN C[C@]1(C2CC2)CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000596336475 479259180 /nfs/dbraw/zinc/25/91/80/479259180.db2.gz XJGMSZBOZKBSTF-CYBMUJFWSA-N 0 0 342.193 2.758 10 5 EFBERN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ncnn21 ZINC000596347321 479260633 /nfs/dbraw/zinc/26/06/33/479260633.db2.gz WNTIFZBUVXDQGF-VXNVDRBHSA-N 0 0 325.275 2.906 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCc3ncccc3C2)c(Br)c1 ZINC000611006348 479260798 /nfs/dbraw/zinc/26/07/98/479260798.db2.gz GABGHYHQLKBNED-UHFFFAOYSA-N 0 0 335.161 2.710 10 5 EFBERN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ncnn21 ZINC000596347320 479261066 /nfs/dbraw/zinc/26/10/66/479261066.db2.gz WNTIFZBUVXDQGF-IONNQARKSA-N 0 0 325.275 2.906 10 5 EFBERN C[C@H]1C[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ncnn21 ZINC000596346653 479261415 /nfs/dbraw/zinc/26/14/15/479261415.db2.gz RMIWGFJWUALPTG-CABZTGNLSA-N 0 0 342.384 2.850 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](O)C12CCC2 ZINC000596357695 479263864 /nfs/dbraw/zinc/26/38/64/479263864.db2.gz QOHITKOBCLOHBQ-HOTGVXAUSA-N 0 0 347.415 2.520 10 5 EFBERN CC[C@@H](NC(=O)N1CC(OCC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000602273363 479265661 /nfs/dbraw/zinc/26/56/61/479265661.db2.gz NAODYZXZIJXUKB-CYBMUJFWSA-N 0 0 343.330 2.721 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000596365850 479266815 /nfs/dbraw/zinc/26/68/15/479266815.db2.gz GWPLCCXTTDGEMD-XGWLTEMNSA-N 0 0 345.399 2.543 10 5 EFBERN CCCN(CC(F)(F)F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611032398 479267046 /nfs/dbraw/zinc/26/70/46/479267046.db2.gz WWORTTFIYIAROZ-UHFFFAOYSA-N 0 0 340.323 2.699 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000611033077 479267460 /nfs/dbraw/zinc/26/74/60/479267460.db2.gz ZMBLTQKVSPQZSV-INIZCTEOSA-N 0 0 347.396 2.657 10 5 EFBERN CCC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000611033753 479268375 /nfs/dbraw/zinc/26/83/75/479268375.db2.gz JTKCSSHVZOYDBK-INIZCTEOSA-N 0 0 349.412 2.951 10 5 EFBERN Cc1cc(OCC(=O)N[C@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593279490 479272719 /nfs/dbraw/zinc/27/27/19/479272719.db2.gz HDUPHHBTNNWRRH-GOSISDBHSA-N 0 0 348.399 2.603 10 5 EFBERN COc1c(C(=O)N[C@@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593279463 479272825 /nfs/dbraw/zinc/27/28/25/479272825.db2.gz GJFDBQCBCIXGEH-HNNXBMFYSA-N 0 0 334.372 2.538 10 5 EFBERN CCNc1ccc(C(=O)N[C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593280400 479274148 /nfs/dbraw/zinc/27/41/48/479274148.db2.gz ILAKXTJDUHJKPU-QGZVFWFLSA-N 0 0 347.415 2.962 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CSC[C@@H](OC)[C@@H]1CCOC1 ZINC000596394356 479276743 /nfs/dbraw/zinc/27/67/43/479276743.db2.gz RBAXZUIUEYTLSV-IAQYHMDHSA-N 0 0 327.402 2.888 10 5 EFBERN Cc1c(Br)cc(C(=O)N[C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000611076642 479278600 /nfs/dbraw/zinc/27/86/00/479278600.db2.gz YMUXUUKQIDOPHC-MRVPVSSYSA-N 0 0 345.193 2.555 10 5 EFBERN Cc1ccccc1C1(NC(=O)CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000585090147 479278802 /nfs/dbraw/zinc/27/88/02/479278802.db2.gz MMKNCPDAEFGPMR-UHFFFAOYSA-N 0 0 328.372 2.685 10 5 EFBERN C[C@H]1CCn2ncc(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)c2C1 ZINC000574402506 479280681 /nfs/dbraw/zinc/28/06/81/479280681.db2.gz YKVTZIXZNNAWHL-LBPRGKRZSA-N 0 0 340.383 2.967 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000557503207 479283837 /nfs/dbraw/zinc/28/38/37/479283837.db2.gz GVNKAVZCDMGGOH-SECBINFHSA-N 0 0 335.385 2.611 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cnn2c1CCCC2 ZINC000602327098 479285893 /nfs/dbraw/zinc/28/58/93/479285893.db2.gz BEXSKQIGICOTRF-UHFFFAOYSA-N 0 0 344.371 2.708 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000599411384 479287176 /nfs/dbraw/zinc/28/71/76/479287176.db2.gz GIFUIJCGHBEYOF-MRXNPFEDSA-N 0 0 347.396 2.810 10 5 EFBERN CO[C@@H](CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CCC1 ZINC000596420707 479287629 /nfs/dbraw/zinc/28/76/29/479287629.db2.gz ZRLWRAIXVDAEDE-ZDUSSCGKSA-N 0 0 345.442 2.906 10 5 EFBERN O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000593315366 479289621 /nfs/dbraw/zinc/28/96/21/479289621.db2.gz IURXFIMHJGRMAB-CJNGLKHVSA-N 0 0 345.330 2.779 10 5 EFBERN C[C@@H](NC(=O)N1CCC(C2(O)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593315040 479289784 /nfs/dbraw/zinc/28/97/84/479289784.db2.gz SUSDTUJQYQVMBO-GFCCVEGCSA-N 0 0 333.388 2.602 10 5 EFBERN Cc1cc(C)c2c(c1)N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCO2 ZINC000593317311 479291014 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000599506840 479316681 /nfs/dbraw/zinc/31/66/81/479316681.db2.gz KXCQIJYBGXFSNW-NHYWBVRUSA-N 0 0 340.401 2.557 10 5 EFBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000599507480 479316802 /nfs/dbraw/zinc/31/68/02/479316802.db2.gz WSKVDUHWMHDQNY-HZMBPMFUSA-N 0 0 328.365 2.687 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C12CCC2 ZINC000596495896 479317351 /nfs/dbraw/zinc/31/73/51/479317351.db2.gz YHPFWPZBHCOCPC-RYUDHWBXSA-N 0 0 345.403 2.598 10 5 EFBERN COc1ccc(S(=O)(=O)N2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599509550 479317958 /nfs/dbraw/zinc/31/79/58/479317958.db2.gz MJVYTWJSBLWHAB-UHFFFAOYSA-N 0 0 340.401 2.558 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596500839 479318920 /nfs/dbraw/zinc/31/89/20/479318920.db2.gz FKAKYTCSURQLLU-PRHODGIISA-N 0 0 342.277 2.694 10 5 EFBERN CC(C)Oc1nc(N2CCO[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596505010 479320329 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CC(C)(C)O[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C12CCC2 ZINC000596510189 479322516 /nfs/dbraw/zinc/32/25/16/479322516.db2.gz ORWXDSDMFBCHNH-VXGBXAGGSA-N 0 0 348.403 2.627 10 5 EFBERN CSc1cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000611246651 479322711 /nfs/dbraw/zinc/32/27/11/479322711.db2.gz YBUMCKUTNUVHBG-UHFFFAOYSA-N 0 0 348.384 2.912 10 5 EFBERN COC(=O)c1cc(NC(=O)C[C@@H](C)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000599532092 479323184 /nfs/dbraw/zinc/32/31/84/479323184.db2.gz YZYDPQWFUZJDBV-SSDOTTSWSA-N 0 0 334.250 2.908 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000596513676 479323464 /nfs/dbraw/zinc/32/34/64/479323464.db2.gz BZOFJCQNAYHEJU-HZPDHXFCSA-N 0 0 331.416 2.959 10 5 EFBERN CC1(C)[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1(F)F ZINC000596513208 479323642 /nfs/dbraw/zinc/32/36/42/479323642.db2.gz QISRGZOAJINKHJ-LLVKDONJSA-N 0 0 334.344 2.702 10 5 EFBERN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCC(F)CC1 ZINC000596513635 479323699 /nfs/dbraw/zinc/32/36/99/479323699.db2.gz AQEVUWPSMCDHCX-KPPDAEKUSA-N 0 0 334.351 2.994 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000596514861 479324468 /nfs/dbraw/zinc/32/44/68/479324468.db2.gz NOHXJQXMOYXPSZ-HUUCEWRRSA-N 0 0 335.379 2.789 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596514784 479324526 /nfs/dbraw/zinc/32/45/26/479324526.db2.gz JZVUULAWLWPEIJ-NSHDSACASA-N 0 0 344.371 2.782 10 5 EFBERN CC(C)NC(=O)c1ccc(NCC2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000596515093 479324742 /nfs/dbraw/zinc/32/47/42/479324742.db2.gz ONVCSWWUSIUTQH-UHFFFAOYSA-N 0 0 335.404 2.696 10 5 EFBERN CC(C)[C@@H](O)[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000596517308 479325067 /nfs/dbraw/zinc/32/50/67/479325067.db2.gz MBELGJWWVHKYPE-SJLPKXTDSA-N 0 0 345.399 2.839 10 5 EFBERN C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000596517530 479325470 /nfs/dbraw/zinc/32/54/70/479325470.db2.gz LRGAZZIQEYPLLL-ZDUSSCGKSA-N 0 0 328.372 2.635 10 5 EFBERN CC(C)[C@H](O)[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000596517309 479325567 /nfs/dbraw/zinc/32/55/67/479325567.db2.gz MBELGJWWVHKYPE-WMZOPIPTSA-N 0 0 345.399 2.839 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000596518587 479325963 /nfs/dbraw/zinc/32/59/63/479325963.db2.gz YTUUKVMHUCSLAB-UHFFFAOYSA-N 0 0 347.415 2.595 10 5 EFBERN COc1cc(NC[C@H]2CC(=O)N(C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000596519405 479326458 /nfs/dbraw/zinc/32/64/58/479326458.db2.gz JSSIMVZTFSOENY-SNVBAGLBSA-N 0 0 339.367 2.801 10 5 EFBERN Nc1c(C(=O)N2CCC(c3cccnc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000611258352 479327506 /nfs/dbraw/zinc/32/75/06/479327506.db2.gz IRDGMFOXDPMHDD-UHFFFAOYSA-N 0 0 344.346 2.731 10 5 EFBERN Cc1cc(N2CCC3(COC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000596528779 479329100 /nfs/dbraw/zinc/32/91/00/479329100.db2.gz AQJYEQQDFNTCOT-UHFFFAOYSA-N 0 0 327.178 2.892 10 5 EFBERN CCOc1cccc(N2CCC[C@@H](C(=O)NC(C)C)C2)c1[N+](=O)[O-] ZINC000596536648 479332203 /nfs/dbraw/zinc/33/22/03/479332203.db2.gz RWHYIBILWRTIKZ-CYBMUJFWSA-N 0 0 335.404 2.735 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000596536740 479332207 /nfs/dbraw/zinc/33/22/07/479332207.db2.gz TYZQQCQFPKNIDP-AWEZNQCLSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000596536131 479332273 /nfs/dbraw/zinc/33/22/73/479332273.db2.gz LQUQKGWPFDQQCO-CYBMUJFWSA-N 0 0 342.399 2.884 10 5 EFBERN CC(=O)c1cc(N2CCC[C@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000596539003 479333039 /nfs/dbraw/zinc/33/30/39/479333039.db2.gz XWNVOPQHEYGMGF-ZDUSSCGKSA-N 0 0 333.388 2.538 10 5 EFBERN C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CCCCC1 ZINC000596540280 479333239 /nfs/dbraw/zinc/33/32/39/479333239.db2.gz JVJGRYMRSCSOSM-LLVKDONJSA-N 0 0 341.433 2.871 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)c2nccn2C)ccc1[N+](=O)[O-] ZINC000596542218 479334050 /nfs/dbraw/zinc/33/40/50/479334050.db2.gz LIZZIUXQAJOGTA-MRVPVSSYSA-N 0 0 338.751 2.941 10 5 EFBERN CCOC(=O)C[C@H](C)SCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593422654 479334442 /nfs/dbraw/zinc/33/44/42/479334442.db2.gz MUNUNROUYFHJQJ-JTQLQIEISA-N 0 0 341.385 2.956 10 5 EFBERN CC1(C)OCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596543600 479334739 /nfs/dbraw/zinc/33/47/39/479334739.db2.gz MDDPSHZTDKBSLM-QMMMGPOBSA-N 0 0 330.182 2.979 10 5 EFBERN CC1(C)OCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000596542421 479334766 /nfs/dbraw/zinc/33/47/66/479334766.db2.gz IFHIMDMBYIKKCZ-MRVPVSSYSA-N 0 0 330.182 2.979 10 5 EFBERN C[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000596544637 479335603 /nfs/dbraw/zinc/33/56/03/479335603.db2.gz WMGOEQORYIENDW-NSHDSACASA-N 0 0 341.433 2.871 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596557307 479337856 /nfs/dbraw/zinc/33/78/56/479337856.db2.gz GTTXOJBIUQBOIS-NSHDSACASA-N 0 0 332.278 2.955 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596556388 479338163 /nfs/dbraw/zinc/33/81/63/479338163.db2.gz BPWYTLGATAFADU-QMMMGPOBSA-N 0 0 325.674 2.801 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](CC(F)(F)F)C1 ZINC000596557306 479338418 /nfs/dbraw/zinc/33/84/18/479338418.db2.gz GTTXOJBIUQBOIS-LLVKDONJSA-N 0 0 332.278 2.955 10 5 EFBERN COc1cc(N2CCO[C@@H](CC(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000596558625 479338939 /nfs/dbraw/zinc/33/89/39/479338939.db2.gz SFRKIIXSZKGFRF-QMMMGPOBSA-N 0 0 338.257 2.900 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@H](CC(F)(F)F)C3)c2c1 ZINC000596558262 479339133 /nfs/dbraw/zinc/33/91/33/479339133.db2.gz PMVQUNPXGSPKFM-JTQLQIEISA-N 0 0 342.277 2.696 10 5 EFBERN CC(=O)c1cc(N2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596558902 479339543 /nfs/dbraw/zinc/33/95/43/479339543.db2.gz UMGRCKIXYPMICH-NSHDSACASA-N 0 0 332.278 2.955 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)[C@H](C)c1ccccc1 ZINC000611303796 479343364 /nfs/dbraw/zinc/34/33/64/479343364.db2.gz XXTGHKWSZWZRDW-CXAGYDPISA-N 0 0 328.368 2.798 10 5 EFBERN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596571959 479344128 /nfs/dbraw/zinc/34/41/28/479344128.db2.gz BRPGYYZAOQGXGY-KRTXAFLBSA-N 0 0 332.332 2.553 10 5 EFBERN NC(=O)c1cc(N2CC3(CCC3)[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000596574101 479345417 /nfs/dbraw/zinc/34/54/17/479345417.db2.gz NMJOHLACAGYWPX-MRXNPFEDSA-N 0 0 338.367 2.820 10 5 EFBERN O=C(CN1CCC[C@H]1C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599595802 479346617 /nfs/dbraw/zinc/34/66/17/479346617.db2.gz HWAZMJYAPJWHEE-ZDUSSCGKSA-N 0 0 343.305 2.511 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000586777297 479350453 /nfs/dbraw/zinc/35/04/53/479350453.db2.gz KPNHIRPFZDDKPO-UFBFGSQYSA-N 0 0 344.293 2.623 10 5 EFBERN COC(=O)[C@@H]1CC12CCN(c1ccnc3cc([N+](=O)[O-])ccc31)CC2 ZINC000593461335 479350593 /nfs/dbraw/zinc/35/05/93/479350593.db2.gz KDHFGJRUWGLYPB-AWEZNQCLSA-N 0 0 341.367 2.923 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[C@@H](OC)C3)n2)c1 ZINC000596593890 479351559 /nfs/dbraw/zinc/35/15/59/479351559.db2.gz TVLOSPNONAMUES-ZYHUDNBSSA-N 0 0 333.344 2.860 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@]34C[C@@H]3COC4(C)C)n2)c1 ZINC000596591468 479351680 /nfs/dbraw/zinc/35/16/80/479351680.db2.gz JBSRSYSNDHHNPM-PIGZYNQJSA-N 0 0 345.355 2.644 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@]23CCCC[C@@H]2C3(F)F)n1 ZINC000596592247 479351765 /nfs/dbraw/zinc/35/17/65/479351765.db2.gz MOQQZORQKALXHA-SDBXPKJASA-N 0 0 339.302 2.746 10 5 EFBERN CC1(C)CC[C@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000596592937 479351771 /nfs/dbraw/zinc/35/17/71/479351771.db2.gz KJKHFCILXCFZBL-ZDUSSCGKSA-N 0 0 344.371 2.740 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCCN(CC(F)F)CC1 ZINC000593463948 479351924 /nfs/dbraw/zinc/35/19/24/479351924.db2.gz AAVUBNXASJEJNI-UHFFFAOYSA-N 0 0 336.342 2.920 10 5 EFBERN O=[N+]([O-])c1cnn(CCN2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC000599612589 479352128 /nfs/dbraw/zinc/35/21/28/479352128.db2.gz AGVGPXYVHMQFIM-UHFFFAOYSA-N 0 0 340.305 2.868 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000593464516 479352965 /nfs/dbraw/zinc/35/29/65/479352965.db2.gz KVBAEAWREYNITP-DLBZAZTESA-N 0 0 329.356 2.527 10 5 EFBERN CC(C)OC[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000593467305 479353839 /nfs/dbraw/zinc/35/38/39/479353839.db2.gz KSQWAJSQODYOJI-CQSZACIVSA-N 0 0 331.372 2.773 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@H]1CCCCS1(=O)=O ZINC000593467125 479354704 /nfs/dbraw/zinc/35/47/04/479354704.db2.gz IZTXCVCXDWOVGI-GFCCVEGCSA-N 0 0 335.385 2.522 10 5 EFBERN CCS(=O)(=O)C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593469437 479355696 /nfs/dbraw/zinc/35/56/96/479355696.db2.gz NLOSIYLKOQEXAK-UHFFFAOYSA-N 0 0 349.412 2.547 10 5 EFBERN NC(=O)CCC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593469258 479355896 /nfs/dbraw/zinc/35/58/96/479355896.db2.gz KOKSOKHZWHKWKI-UHFFFAOYSA-N 0 0 328.372 2.625 10 5 EFBERN CC(=O)NCC[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593471994 479356435 /nfs/dbraw/zinc/35/64/35/479356435.db2.gz DCSAQYRRYUQILP-CQSZACIVSA-N 0 0 342.399 2.886 10 5 EFBERN CC1(C)CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@]2(CCOC2)O1 ZINC000593471456 479356704 /nfs/dbraw/zinc/35/67/04/479356704.db2.gz YIRAXYHPADTURH-SFHVURJKSA-N 0 0 343.383 2.917 10 5 EFBERN C[C@H]1OCC[C@]12CN(c1ccnc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000593471312 479356885 /nfs/dbraw/zinc/35/68/85/479356885.db2.gz VUTGSLHXUYIDNJ-PXAZEXFGSA-N 0 0 329.356 2.527 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599625902 479358947 /nfs/dbraw/zinc/35/89/47/479358947.db2.gz QTQDDZPJXZANQX-ZVXAKGHKSA-N 0 0 332.360 2.546 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(C(C)(C)c3ccc(C)cn3)no2)n1 ZINC000596619618 479360247 /nfs/dbraw/zinc/36/02/47/479360247.db2.gz LIMAQTXEELJTNL-UHFFFAOYSA-N 0 0 342.359 2.891 10 5 EFBERN COC(=O)C1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC000596619397 479360523 /nfs/dbraw/zinc/36/05/23/479360523.db2.gz IWFXECWZOPFWGG-UHFFFAOYSA-N 0 0 332.356 2.965 10 5 EFBERN CCOC(=O)c1cc(N2CCC(C3(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000593481048 479360587 /nfs/dbraw/zinc/36/05/87/479360587.db2.gz BXYZFAIHEZIKAH-UHFFFAOYSA-N 0 0 334.372 2.513 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1Cc1nc(C[C@@H]2C[C@H]2c2ccccc2)no1 ZINC000596619509 479360638 /nfs/dbraw/zinc/36/06/38/479360638.db2.gz VSFOZUQWWCELAU-KBPBESRZSA-N 0 0 339.355 2.877 10 5 EFBERN O=[N+]([O-])c1c(NC[C@]2(CO)CCc3ccccc32)nc2sccn21 ZINC000593483108 479361499 /nfs/dbraw/zinc/36/14/99/479361499.db2.gz BCXQFKSAXYMXRQ-INIZCTEOSA-N 0 0 344.396 2.592 10 5 EFBERN COc1ccc([N+](=O)[O-])c(NC[C@]2(CO)CCc3ccccc32)c1 ZINC000593483570 479361559 /nfs/dbraw/zinc/36/15/59/479361559.db2.gz DMMZIOWGONAAGD-SFHVURJKSA-N 0 0 328.368 2.892 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC(c2ccc(OC)cn2)CC1 ZINC000593482405 479361617 /nfs/dbraw/zinc/36/16/17/479361617.db2.gz YIDDVFMXPPTCIV-UHFFFAOYSA-N 0 0 345.403 2.907 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCCC[C@H]1CCO ZINC000586835340 479361882 /nfs/dbraw/zinc/36/18/82/479361882.db2.gz XSIIWTGVXLNATG-AWEZNQCLSA-N 0 0 336.388 2.517 10 5 EFBERN C[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000611377663 479362181 /nfs/dbraw/zinc/36/21/81/479362181.db2.gz ODSKYQGQRYQBHG-BGJPBQGDSA-N 0 0 332.381 2.823 10 5 EFBERN COC(=O)C[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000596625286 479362106 /nfs/dbraw/zinc/36/21/06/479362106.db2.gz ATVZIWMHEMWCQO-GFCCVEGCSA-N 0 0 335.360 2.614 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000596625268 479362207 /nfs/dbraw/zinc/36/22/07/479362207.db2.gz RJMURZSNEPCDAQ-LLVKDONJSA-N 0 0 335.360 2.779 10 5 EFBERN Cc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)co1 ZINC000586836257 479362546 /nfs/dbraw/zinc/36/25/46/479362546.db2.gz UTFKSUOUIJLLTC-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN CC[C@@H](NC(=O)c1cnn(CCCOC)c1)c1cccc([N+](=O)[O-])c1 ZINC000599635747 479362602 /nfs/dbraw/zinc/36/26/02/479362602.db2.gz VFUOEBNISBWQIH-MRXNPFEDSA-N 0 0 346.387 2.709 10 5 EFBERN CC[C@@H](OCCNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000593488925 479363530 /nfs/dbraw/zinc/36/35/30/479363530.db2.gz ODFIOIBDEIBUJG-CQSZACIVSA-N 0 0 341.371 2.639 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000596626197 479363498 /nfs/dbraw/zinc/36/34/98/479363498.db2.gz HQRPGPZPDIIXET-LBPRGKRZSA-N 0 0 337.376 2.930 10 5 EFBERN Cc1ccc(NC(=O)N2CC(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000596626491 479363631 /nfs/dbraw/zinc/36/36/31/479363631.db2.gz NZGFAKXGUNEIDU-UHFFFAOYSA-N 0 0 335.360 2.709 10 5 EFBERN CCC[C@@H](C)[C@H](CO)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593487026 479363889 /nfs/dbraw/zinc/36/38/89/479363889.db2.gz KYUAIGCRLXUQOK-ABAIWWIYSA-N 0 0 335.404 2.696 10 5 EFBERN CCC[C@H](C)[C@@H](CO)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000593487029 479363924 /nfs/dbraw/zinc/36/39/24/479363924.db2.gz KYUAIGCRLXUQOK-XHDPSFHLSA-N 0 0 335.404 2.696 10 5 EFBERN CC1(C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])c2cc(F)ccc21 ZINC000593491458 479364578 /nfs/dbraw/zinc/36/45/78/479364578.db2.gz LGGBEPWLMDBEIR-UHFFFAOYSA-N 0 0 330.319 2.657 10 5 EFBERN Nc1cc(N2CCC3(CC2)C(F)(F)C3(F)F)cc(CO)c1[N+](=O)[O-] ZINC000593489149 479364677 /nfs/dbraw/zinc/36/46/77/479364677.db2.gz FMUAZBDLAWTRPV-UHFFFAOYSA-N 0 0 349.284 2.540 10 5 EFBERN CCOc1cc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599643193 479365072 /nfs/dbraw/zinc/36/50/72/479365072.db2.gz ZMIAPWXGZAOHSK-CQSZACIVSA-N 0 0 344.371 2.826 10 5 EFBERN Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000596633747 479365207 /nfs/dbraw/zinc/36/52/07/479365207.db2.gz ADNCOUQNWXNJRO-CYBMUJFWSA-N 0 0 348.403 2.672 10 5 EFBERN Cc1c(NC(=O)NCC2(CC(N)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000596634868 479365276 /nfs/dbraw/zinc/36/52/76/479365276.db2.gz FHVLNRLYMKPXFE-UHFFFAOYSA-N 0 0 348.403 2.851 10 5 EFBERN COc1cc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)c([N+](=O)[O-])cc1F ZINC000599641688 479365425 /nfs/dbraw/zinc/36/54/25/479365425.db2.gz OEYODNOAEZTJMX-ZDUSSCGKSA-N 0 0 348.334 2.575 10 5 EFBERN Cc1c(NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cccc1[N+](=O)[O-] ZINC000596636803 479365902 /nfs/dbraw/zinc/36/59/02/479365902.db2.gz VHYXNANXYFMIMI-CYBMUJFWSA-N 0 0 348.403 2.672 10 5 EFBERN Cc1ccc(NC(=O)N2CCO[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000596636495 479366320 /nfs/dbraw/zinc/36/63/20/479366320.db2.gz MHUFAHTZTPIZHO-AWEZNQCLSA-N 0 0 329.303 2.791 10 5 EFBERN Nc1nc(N2CCCC[C@@H]2Cc2ccccc2F)ncc1[N+](=O)[O-] ZINC000593500228 479366977 /nfs/dbraw/zinc/36/69/77/479366977.db2.gz NBZQKSCVPPTOES-GFCCVEGCSA-N 0 0 331.351 2.538 10 5 EFBERN COC(=O)[C@](C)(NC[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000599647299 479367042 /nfs/dbraw/zinc/36/70/42/479367042.db2.gz CGNNITRJOBIWTG-RHSMWYFYSA-N 0 0 336.388 2.530 10 5 EFBERN COC(=O)[C@](C)(NCc1c(C)nsc1C)c1cccc([N+](=O)[O-])c1 ZINC000599647267 479367564 /nfs/dbraw/zinc/36/75/64/479367564.db2.gz BRAATYOOEIHSOW-MRXNPFEDSA-N 0 0 349.412 2.846 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000593500744 479368696 /nfs/dbraw/zinc/36/86/96/479368696.db2.gz SMNJKQHERJUXLJ-KRWDZBQOSA-N 0 0 336.363 2.696 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H]2CCC[C@@H]21 ZINC000599649880 479369093 /nfs/dbraw/zinc/36/90/93/479369093.db2.gz DTFMGYZQOPOKTF-OAGGEKHMSA-N 0 0 348.399 2.767 10 5 EFBERN C[C@H]1C[C@H]1c1noc(CC2CCN(c3cccnc3[N+](=O)[O-])CC2)n1 ZINC000593503709 479369135 /nfs/dbraw/zinc/36/91/35/479369135.db2.gz UJHVXWDAGDPVBZ-WCQYABFASA-N 0 0 343.387 2.955 10 5 EFBERN C[C@@H]1C[C@@H]1c1noc(CC2CCN(c3cccnc3[N+](=O)[O-])CC2)n1 ZINC000593503711 479369537 /nfs/dbraw/zinc/36/95/37/479369537.db2.gz UJHVXWDAGDPVBZ-YPMHNXCESA-N 0 0 343.387 2.955 10 5 EFBERN COC(=O)[C@](C)(NC[C@H](CC(C)C)OC)c1cccc([N+](=O)[O-])c1 ZINC000599650272 479369532 /nfs/dbraw/zinc/36/95/32/479369532.db2.gz HDBBVIBDFQOWOT-DOTOQJQBSA-N 0 0 338.404 2.634 10 5 EFBERN CCN(CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccc(C)c1 ZINC000587015532 479369803 /nfs/dbraw/zinc/36/98/03/479369803.db2.gz OSPCAYUJQADBHG-UHFFFAOYSA-N 0 0 344.415 2.916 10 5 EFBERN Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3ccc(Cl)o3)cc21 ZINC000587010210 479370099 /nfs/dbraw/zinc/37/00/99/479370099.db2.gz RHRXJKXOTVBJKX-UHFFFAOYSA-N 0 0 336.735 2.644 10 5 EFBERN CC1(C)Oc2cc(-c3cc([N+](=O)[O-])ccc3CCO)ccc2NC1=O ZINC000596646718 479370558 /nfs/dbraw/zinc/37/05/58/479370558.db2.gz VWQTWYRBBUWVHH-UHFFFAOYSA-N 0 0 342.351 2.906 10 5 EFBERN COc1cc(-c2cc([N+](=O)[O-])ccc2CCO)ccc1CCCO ZINC000596647441 479371108 /nfs/dbraw/zinc/37/11/08/479371108.db2.gz KYZGKDSNZUKIJJ-UHFFFAOYSA-N 0 0 331.368 2.730 10 5 EFBERN CCOC(=O)Cc1ccc(NCCC2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000593511266 479371384 /nfs/dbraw/zinc/37/13/84/479371384.db2.gz ISUSWXOTCOWHAV-UHFFFAOYSA-N 0 0 336.388 2.665 10 5 EFBERN Cc1c(CC(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000587404939 479371515 /nfs/dbraw/zinc/37/15/15/479371515.db2.gz IHHLWZCGLKJJPA-RNCFNFMXSA-N 0 0 346.305 2.624 10 5 EFBERN C[C@H](C(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000587416348 479371793 /nfs/dbraw/zinc/37/17/93/479371793.db2.gz YNKYTDWZTMGTFR-GBIKHYSHSA-N 0 0 346.305 2.877 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000587416218 479371846 /nfs/dbraw/zinc/37/18/46/479371846.db2.gz SKXRDTLNEXRLPS-JOYOIKCWSA-N 0 0 332.278 2.695 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000587405127 479371851 /nfs/dbraw/zinc/37/18/51/479371851.db2.gz MKHIPWNBQDHNPZ-HQJQHLMTSA-N 0 0 336.241 2.526 10 5 EFBERN Cc1ccccc1OCCCN(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587390133 479371894 /nfs/dbraw/zinc/37/18/94/479371894.db2.gz ITCILHMSAJXNCJ-UHFFFAOYSA-N 0 0 345.399 2.883 10 5 EFBERN CC(=O)c1ccc(N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)c([N+](=O)[O-])c1 ZINC000603401165 479371954 /nfs/dbraw/zinc/37/19/54/479371954.db2.gz ZZXJQGKVUABCLI-SJORKVTESA-N 0 0 347.415 2.709 10 5 EFBERN Cc1c(CC(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000587404943 479371997 /nfs/dbraw/zinc/37/19/97/479371997.db2.gz IHHLWZCGLKJJPA-ZANVPECISA-N 0 0 346.305 2.624 10 5 EFBERN COc1ccccc1C1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587630662 479372944 /nfs/dbraw/zinc/37/29/44/479372944.db2.gz WISRJHMOKCGZLR-UHFFFAOYSA-N 0 0 343.383 2.822 10 5 EFBERN COC(=O)c1cc(NCCc2ccc(CO)cc2)cc(C)c1[N+](=O)[O-] ZINC000611414991 479373177 /nfs/dbraw/zinc/37/31/77/479373177.db2.gz XBYPBWBLHGONAW-UHFFFAOYSA-N 0 0 344.367 2.837 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000587434192 479373140 /nfs/dbraw/zinc/37/31/40/479373140.db2.gz PJBISJHKHPFOGM-GWCFXTLKSA-N 0 0 346.305 2.706 10 5 EFBERN COC(=O)[C@@](C)(NCCC1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599654548 479373615 /nfs/dbraw/zinc/37/36/15/479373615.db2.gz RDCLAAPLSSLDTH-INIZCTEOSA-N 0 0 336.388 2.532 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCC[C@@H]21 ZINC000599656919 479373717 /nfs/dbraw/zinc/37/37/17/479373717.db2.gz JWYIXVWJJXJOJH-FMKPAKJESA-N 0 0 336.363 2.898 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593520125 479375188 /nfs/dbraw/zinc/37/51/88/479375188.db2.gz FUZLSVLOYLMVEU-OAHLLOKOSA-N 0 0 339.342 2.969 10 5 EFBERN Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000593519206 479375243 /nfs/dbraw/zinc/37/52/43/479375243.db2.gz FFWWGMADPRBHQZ-JTQLQIEISA-N 0 0 332.335 2.504 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593520253 479375505 /nfs/dbraw/zinc/37/55/05/479375505.db2.gz MSEKMFLISUSJOY-KKUMJFAQSA-N 0 0 328.372 2.827 10 5 EFBERN CC(=O)c1cc(N2CCC[C@@H](NC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000587739845 479375786 /nfs/dbraw/zinc/37/57/86/479375786.db2.gz FSCRLEMFTKICGO-CYBMUJFWSA-N 0 0 333.388 2.538 10 5 EFBERN Cc1nc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)nc2ccccc12 ZINC000587788711 479375992 /nfs/dbraw/zinc/37/59/92/479375992.db2.gz REGDSGXZMKASGT-UHFFFAOYSA-N 0 0 339.355 2.533 10 5 EFBERN Cn1c(=O)ccc2c1CCC[C@H]2Nc1ncc([N+](=O)[O-])cc1Cl ZINC000593520420 479376454 /nfs/dbraw/zinc/37/64/54/479376454.db2.gz OZFHVSVKSUOYCQ-GFCCVEGCSA-N 0 0 334.763 2.831 10 5 EFBERN CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593526471 479377228 /nfs/dbraw/zinc/37/72/28/479377228.db2.gz DLGQMNDLNAFFMJ-OAHLLOKOSA-N 0 0 335.385 2.665 10 5 EFBERN CC1(C)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593522906 479377404 /nfs/dbraw/zinc/37/74/04/479377404.db2.gz VRZPDEJNLVTHMM-CHWSQXEVSA-N 0 0 346.305 2.996 10 5 EFBERN CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593525976 479377467 /nfs/dbraw/zinc/37/74/67/479377467.db2.gz QEUYFTDDJZNJEK-AWEZNQCLSA-N 0 0 335.385 2.810 10 5 EFBERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593527798 479378029 /nfs/dbraw/zinc/37/80/29/479378029.db2.gz KCLUFVPIQNMQHS-HNNXBMFYSA-N 0 0 347.396 2.824 10 5 EFBERN COC(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000599663470 479378503 /nfs/dbraw/zinc/37/85/03/479378503.db2.gz ZXLCPIFJLGTLEK-KFWWJZLASA-N 0 0 348.399 2.637 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)nc1 ZINC000593532163 479378839 /nfs/dbraw/zinc/37/88/39/479378839.db2.gz XLJGUAVJYFFBPE-GFCCVEGCSA-N 0 0 339.398 2.577 10 5 EFBERN CCOc1cc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)ccc1OC ZINC000587978655 479378936 /nfs/dbraw/zinc/37/89/36/479378936.db2.gz JWNRRIZUVXFORQ-UHFFFAOYSA-N 0 0 347.371 2.689 10 5 EFBERN COc1ccc2c(c1)OCC[C@@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587985507 479379662 /nfs/dbraw/zinc/37/96/62/479379662.db2.gz LVMFSMNXNDDHLA-HNNXBMFYSA-N 0 0 345.355 2.614 10 5 EFBERN COc1cccc(O[C@@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587986865 479379764 /nfs/dbraw/zinc/37/97/64/479379764.db2.gz KNCVLKJEEKOGRD-NSHDSACASA-N 0 0 347.371 2.557 10 5 EFBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccccc1F ZINC000587986848 479380197 /nfs/dbraw/zinc/38/01/97/479380197.db2.gz HFZITJCTFPWOQF-JTQLQIEISA-N 0 0 335.335 2.688 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(Cc3cccc(C)c3)C2)n1 ZINC000587996390 479380761 /nfs/dbraw/zinc/38/07/61/479380761.db2.gz AGWANDCRQWPKEB-UHFFFAOYSA-N 0 0 341.367 2.764 10 5 EFBERN CC(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccnc1 ZINC000587993832 479380796 /nfs/dbraw/zinc/38/07/96/479380796.db2.gz YTWISNMBQLBBGC-HNNXBMFYSA-N 0 0 330.388 2.916 10 5 EFBERN Nc1cc(N2CC[C@H](c3ccc(F)cc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587995432 479381032 /nfs/dbraw/zinc/38/10/32/479381032.db2.gz KEXPEQSLDFBXLB-LBPRGKRZSA-N 0 0 331.347 2.802 10 5 EFBERN CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588001073 479381853 /nfs/dbraw/zinc/38/18/53/479381853.db2.gz JVXYYVMOJPBUNC-LSDHHAIUSA-N 0 0 337.420 2.699 10 5 EFBERN Cc1cccc([C@@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)n1 ZINC000588001114 479382263 /nfs/dbraw/zinc/38/22/63/479382263.db2.gz QBJDZEDFEDIFCF-INIZCTEOSA-N 0 0 328.372 2.714 10 5 EFBERN Nc1cc(N[C@@H]2CCOC3(CCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588001995 479382294 /nfs/dbraw/zinc/38/22/94/479382294.db2.gz VTMIWZGOLSFBRU-CYBMUJFWSA-N 0 0 335.404 2.963 10 5 EFBERN CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593548075 479383916 /nfs/dbraw/zinc/38/39/16/479383916.db2.gz LUAHYVOCOUOGMP-AAEUAGOBSA-N 0 0 327.406 2.579 10 5 EFBERN COCC[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(C)o1 ZINC000588013303 479383957 /nfs/dbraw/zinc/38/39/57/479383957.db2.gz UFQMKBRUEHCWAN-CQSZACIVSA-N 0 0 335.360 2.760 10 5 EFBERN Nc1cc(NCCc2cc(F)c(F)c(F)c2)cc(CO)c1[N+](=O)[O-] ZINC000588013993 479384194 /nfs/dbraw/zinc/38/41/94/479384194.db2.gz BMLKCJQNUKEGNM-UHFFFAOYSA-N 0 0 341.289 2.741 10 5 EFBERN Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593547040 479384260 /nfs/dbraw/zinc/38/42/60/479384260.db2.gz BNIAIOXYRRUUQQ-ZDUSSCGKSA-N 0 0 349.412 2.550 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](C3CCCCC3)C2)n1 ZINC000588017082 479384975 /nfs/dbraw/zinc/38/49/75/479384975.db2.gz SZZQGXJNNMOMQA-OAHLLOKOSA-N 0 0 349.387 2.562 10 5 EFBERN Nc1cc(N[C@H]2CCOc3c(F)cccc32)cc(CO)c1[N+](=O)[O-] ZINC000588028081 479385840 /nfs/dbraw/zinc/38/58/40/479385840.db2.gz JHLLXEULKZMHDP-AWEZNQCLSA-N 0 0 333.319 2.744 10 5 EFBERN C[C@H]1CC2(CCC2)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588033795 479386673 /nfs/dbraw/zinc/38/66/73/479386673.db2.gz CISSOHQTQSRPQT-NSHDSACASA-N 0 0 330.388 2.554 10 5 EFBERN C[C@@]1(c2ccc(F)cc2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588039043 479386827 /nfs/dbraw/zinc/38/68/27/479386827.db2.gz REAQGFHINBQQOE-GOSISDBHSA-N 0 0 345.374 2.976 10 5 EFBERN CC1=C(c2ccco2)CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588043860 479387513 /nfs/dbraw/zinc/38/75/13/479387513.db2.gz AQALYOMSWWJNMZ-UHFFFAOYSA-N 0 0 329.356 2.946 10 5 EFBERN C[C@@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593558163 479387658 /nfs/dbraw/zinc/38/76/58/479387658.db2.gz FLEMOISWGNJSRO-IUODEOHRSA-N 0 0 347.396 2.557 10 5 EFBERN CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593563495 479388507 /nfs/dbraw/zinc/38/85/07/479388507.db2.gz AEIQABVSJZJBES-AAEUAGOBSA-N 0 0 327.406 2.579 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682638 479388580 /nfs/dbraw/zinc/38/85/80/479388580.db2.gz GETIDUDLENHNHC-CUOATXAZSA-N 0 0 341.205 2.703 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000588068535 479389592 /nfs/dbraw/zinc/38/95/92/479389592.db2.gz SWBIJYALAMPQTC-MUWHJKNJSA-N 0 0 325.674 2.799 10 5 EFBERN Cn1c2cc(NCC3(C(F)(F)F)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588074592 479390170 /nfs/dbraw/zinc/39/01/70/479390170.db2.gz ZQBCSLCFNOFWTI-UHFFFAOYSA-N 0 0 344.293 2.540 10 5 EFBERN COC[C@]1(C)CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000599692999 479394303 /nfs/dbraw/zinc/39/43/03/479394303.db2.gz NBOKONQZFGLCBL-KRWDZBQOSA-N 0 0 338.404 2.619 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1F ZINC000611496794 479395394 /nfs/dbraw/zinc/39/53/94/479395394.db2.gz ZETSFWJAANVYAR-KCJUWKMLSA-N 0 0 336.772 2.617 10 5 EFBERN C[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611494214 479395557 /nfs/dbraw/zinc/39/55/57/479395557.db2.gz HJMCTIDZAFYYGK-YPMHNXCESA-N 0 0 346.362 2.744 10 5 EFBERN COC(=O)c1nn(Cc2c(F)cccc2[N+](=O)[O-])c2c1CCCC2 ZINC000611496187 479395645 /nfs/dbraw/zinc/39/56/45/479395645.db2.gz QHHPQAYRQNXKLT-UHFFFAOYSA-N 0 0 333.319 2.644 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)cc1C ZINC000611497247 479396089 /nfs/dbraw/zinc/39/60/89/479396089.db2.gz ZVRFFSSGCHTCBB-BXKDBHETSA-N 0 0 330.381 2.580 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@@H](F)C2)c1C ZINC000611497132 479396182 /nfs/dbraw/zinc/39/61/82/479396182.db2.gz QFCLBWIMZBVLGX-JQWIXIFHSA-N 0 0 330.381 2.580 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000611497046 479396367 /nfs/dbraw/zinc/39/63/67/479396367.db2.gz LAACGNPTWMTHAI-GXFFZTMASA-N 0 0 330.381 2.526 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000593594453 479396465 /nfs/dbraw/zinc/39/64/65/479396465.db2.gz UEAPSRZIXSINLJ-LLVKDONJSA-N 0 0 332.278 2.507 10 5 EFBERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000593595081 479397077 /nfs/dbraw/zinc/39/70/77/479397077.db2.gz AMWPMCGAWJYZNE-HNNXBMFYSA-N 0 0 347.396 2.654 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](CCF)C1 ZINC000599701856 479397758 /nfs/dbraw/zinc/39/77/58/479397758.db2.gz MWLKXOAIOAHOQH-JTQLQIEISA-N 0 0 331.731 2.841 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](C)[C@H](F)C1 ZINC000611501984 479397738 /nfs/dbraw/zinc/39/77/38/479397738.db2.gz LKICOVSKTOVFJG-GMXVVIOVSA-N 0 0 339.367 2.610 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](F)C2)cc1OC ZINC000611505404 479398643 /nfs/dbraw/zinc/39/86/43/479398643.db2.gz FLXPJOXFGZIRFF-JQWIXIFHSA-N 0 0 340.351 2.822 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611505600 479398709 /nfs/dbraw/zinc/39/87/09/479398709.db2.gz DHOLOOJVIKKNTA-ABAIWWIYSA-N 0 0 346.362 2.815 10 5 EFBERN C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1F ZINC000611506586 479399209 /nfs/dbraw/zinc/39/92/09/479399209.db2.gz OURNFFSAUOYLPT-ZANVPECISA-N 0 0 333.319 2.669 10 5 EFBERN COC(=O)c1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000611515748 479402120 /nfs/dbraw/zinc/40/21/20/479402120.db2.gz SPTNCZPQWCDKEI-UHFFFAOYSA-N 0 0 342.351 2.906 10 5 EFBERN O=C(N[C@H]1CCCC1(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000588180762 479403074 /nfs/dbraw/zinc/40/30/74/479403074.db2.gz ZSNDAWPOPPASIJ-ZDUSSCGKSA-N 0 0 336.298 2.698 10 5 EFBERN COc1cc(CN(C)[C@@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000611516755 479403107 /nfs/dbraw/zinc/40/31/07/479403107.db2.gz RHWPERNSUYYFKB-CQSZACIVSA-N 0 0 330.388 2.846 10 5 EFBERN CCOC(=O)c1cc(C(=O)N[C@@H]2CCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000588180608 479403386 /nfs/dbraw/zinc/40/33/86/479403386.db2.gz DXXFIZADBYAZJK-GFCCVEGCSA-N 0 0 342.298 2.689 10 5 EFBERN Nc1cc(NCc2coc(-c3cccs3)n2)cc(CO)c1[N+](=O)[O-] ZINC000611525806 479405691 /nfs/dbraw/zinc/40/56/91/479405691.db2.gz TWQFVTPNWIZJNO-UHFFFAOYSA-N 0 0 346.368 2.998 10 5 EFBERN Cc1cccc(CC2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)c1 ZINC000611529130 479406342 /nfs/dbraw/zinc/40/63/42/479406342.db2.gz VEQPVYSISIRRCE-UHFFFAOYSA-N 0 0 325.368 2.800 10 5 EFBERN Cc1ccccc1CC1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611529127 479406563 /nfs/dbraw/zinc/40/65/63/479406563.db2.gz UQNQUMHNJGBTOL-UHFFFAOYSA-N 0 0 325.368 2.800 10 5 EFBERN CCO[C@@]1(C)C[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599729031 479408861 /nfs/dbraw/zinc/40/88/61/479408861.db2.gz BFNDZVQBEKLENA-RISCZKNCSA-N 0 0 345.302 2.885 10 5 EFBERN COc1ccccc1[C@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611540412 479409268 /nfs/dbraw/zinc/40/92/68/479409268.db2.gz FBNGMRMFFFAFQM-CYBMUJFWSA-N 0 0 344.371 2.704 10 5 EFBERN C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611541212 479410011 /nfs/dbraw/zinc/41/00/11/479410011.db2.gz HDGRIOANQZMGDX-DTWKUNHWSA-N 0 0 329.282 2.805 10 5 EFBERN COc1cnccc1[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593638979 479410401 /nfs/dbraw/zinc/41/04/01/479410401.db2.gz MFXXGVVCXHBCPE-SNVBAGLBSA-N 0 0 333.319 2.557 10 5 EFBERN C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cscn1 ZINC000596743536 479411043 /nfs/dbraw/zinc/41/10/43/479411043.db2.gz JHXOPYVWYORLSZ-SNVBAGLBSA-N 0 0 348.384 2.585 10 5 EFBERN CCO[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000599738830 479411458 /nfs/dbraw/zinc/41/14/58/479411458.db2.gz CYOMRCUAJJUQFB-AWEZNQCLSA-N 0 0 328.796 2.968 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1nc(-c2ccccc2)c[nH]1 ZINC000603595250 479411457 /nfs/dbraw/zinc/41/14/57/479411457.db2.gz LZUVPVVXCYEILZ-UHFFFAOYSA-N 0 0 341.352 2.630 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccsc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599741906 479411900 /nfs/dbraw/zinc/41/19/00/479411900.db2.gz FTOADFTUCSLXNS-UONOGXRCSA-N 0 0 329.381 2.740 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2cccs2)C1=O ZINC000603635698 479416104 /nfs/dbraw/zinc/41/61/04/479416104.db2.gz BNXNEBJQOUNOAV-OAHLLOKOSA-N 0 0 331.353 2.624 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000593665553 479416624 /nfs/dbraw/zinc/41/66/24/479416624.db2.gz HZNAKAKUNJDQKD-ZDUSSCGKSA-N 0 0 346.355 2.631 10 5 EFBERN COC(=O)c1cnc(N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000575196920 479418981 /nfs/dbraw/zinc/41/89/81/479418981.db2.gz PCDXPFHXBUGGGW-VIFPVBQESA-N 0 0 349.368 2.604 10 5 EFBERN Cc1c(CC(=O)N2CCC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611573056 479420900 /nfs/dbraw/zinc/42/09/00/479420900.db2.gz GUHAGHJBCMMDHD-LBPRGKRZSA-N 0 0 328.315 2.676 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4C[C@H]3C[S@@]4=O)o2)c1 ZINC000593686440 479422672 /nfs/dbraw/zinc/42/26/72/479422672.db2.gz DNRHKWFEWBAAGG-HMFCALDFSA-N 0 0 332.381 2.560 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](OC(F)F)C3)nc2c1 ZINC000611578478 479423105 /nfs/dbraw/zinc/42/31/05/479423105.db2.gz FNWDQVGJWXSRMY-JTQLQIEISA-N 0 0 327.287 2.940 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000593689880 479424393 /nfs/dbraw/zinc/42/43/93/479424393.db2.gz YHTXCWYVTSVAFW-HNDXJFMUSA-N 0 0 332.381 2.560 10 5 EFBERN CCOC(=O)c1cc(N2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000611584222 479425414 /nfs/dbraw/zinc/42/54/14/479425414.db2.gz YBWZGXSMDRZPAG-LLVKDONJSA-N 0 0 344.314 2.980 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000599788284 479426102 /nfs/dbraw/zinc/42/61/02/479426102.db2.gz BNHJILQSZVHWBU-NHYWBVRUSA-N 0 0 335.360 2.683 10 5 EFBERN CC1=CC[C@](C)(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000596786621 479427257 /nfs/dbraw/zinc/42/72/57/479427257.db2.gz VQDJOQNTMBFRAN-SFHVURJKSA-N 0 0 344.415 2.775 10 5 EFBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593697630 479427909 /nfs/dbraw/zinc/42/79/09/479427909.db2.gz NHUYGWCTBHOOLB-JRUQTEEESA-N 0 0 332.400 2.876 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H]2CC[C@H]2C)c1 ZINC000593704425 479429321 /nfs/dbraw/zinc/42/93/21/479429321.db2.gz KOBVOZPUMVHOER-IAQYHMDHSA-N 0 0 328.372 2.676 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000611616007 479429712 /nfs/dbraw/zinc/42/97/12/479429712.db2.gz SNUYNUJGWWFUBD-LLVKDONJSA-N 0 0 332.326 2.903 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(C(=O)c3ccco3)CC2)n1 ZINC000611615731 479429836 /nfs/dbraw/zinc/42/98/36/479429836.db2.gz SOWCRSQXZARQBS-UHFFFAOYSA-N 0 0 344.371 2.916 10 5 EFBERN COC(=O)c1ccc2c(c1)CN(c1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC000611616557 479430685 /nfs/dbraw/zinc/43/06/85/479430685.db2.gz ZYYDELQCDAAEFM-UHFFFAOYSA-N 0 0 327.340 2.913 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000611616134 479431155 /nfs/dbraw/zinc/43/11/55/479431155.db2.gz QINIYYOPLLGKGY-GFCCVEGCSA-N 0 0 330.392 2.748 10 5 EFBERN C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000596816545 479439701 /nfs/dbraw/zinc/43/97/01/479439701.db2.gz JONXJCWPJSBXNL-NSHDSACASA-N 0 0 342.355 2.619 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)nc1 ZINC000618406233 479439708 /nfs/dbraw/zinc/43/97/08/479439708.db2.gz AVCGDTDRSYQBOD-UHFFFAOYSA-N 0 0 334.295 2.893 10 5 EFBERN C[C@H]1COCC[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599825937 479440275 /nfs/dbraw/zinc/44/02/75/479440275.db2.gz SRSRRPXVSHBFLS-WPRPVWTQSA-N 0 0 343.177 2.512 10 5 EFBERN O=[N+]([O-])c1cccc(NCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000603862548 479440546 /nfs/dbraw/zinc/44/05/46/479440546.db2.gz IHRIHOLIHSWCKN-UHFFFAOYSA-N 0 0 347.396 2.648 10 5 EFBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000593737874 479440720 /nfs/dbraw/zinc/44/07/20/479440720.db2.gz XVKRTLQTGJSHHM-MRXNPFEDSA-N 0 0 334.372 2.684 10 5 EFBERN CC1(C)C[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)O1 ZINC000599829410 479442121 /nfs/dbraw/zinc/44/21/21/479442121.db2.gz YYKNACKFKQCWPV-LLVKDONJSA-N 0 0 346.387 2.681 10 5 EFBERN COC(=O)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000596822247 479442279 /nfs/dbraw/zinc/44/22/79/479442279.db2.gz BDUAVXGTZHFHND-GFCCVEGCSA-N 0 0 335.360 2.614 10 5 EFBERN CS(=O)(=O)c1ccc(NCc2ccc(Cl)o2)c([N+](=O)[O-])c1 ZINC000603872841 479442333 /nfs/dbraw/zinc/44/23/33/479442333.db2.gz VCIORLVQIDLAOK-UHFFFAOYSA-N 0 0 330.749 2.857 10 5 EFBERN CCC[C@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829496 479442448 /nfs/dbraw/zinc/44/24/48/479442448.db2.gz DRNIEKKVBURFCQ-MRXNPFEDSA-N 0 0 332.360 2.816 10 5 EFBERN CCC[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830344 479442647 /nfs/dbraw/zinc/44/26/47/479442647.db2.gz QYKHNIJQEQRODY-INIZCTEOSA-N 0 0 332.360 2.816 10 5 EFBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCCO1 ZINC000599829855 479442697 /nfs/dbraw/zinc/44/26/97/479442697.db2.gz NGQXOBUQFGQPSV-NSHDSACASA-N 0 0 330.344 2.786 10 5 EFBERN CC(C)(C)OC(=O)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596826185 479443445 /nfs/dbraw/zinc/44/34/45/479443445.db2.gz XSPUSENCCQQADR-AWEZNQCLSA-N 0 0 334.372 2.579 10 5 EFBERN CN(CC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830670 479443821 /nfs/dbraw/zinc/44/38/21/479443821.db2.gz WKKNLOXYNWVIQI-UHFFFAOYSA-N 0 0 343.387 2.703 10 5 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CCN1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1=O ZINC000670032094 481404673 /nfs/dbraw/zinc/40/46/73/481404673.db2.gz LKYFGKUVIFAMAB-KRWDZBQOSA-N 0 0 333.391 2.739 10 5 EFBERN COCC1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000655252842 482229791 /nfs/dbraw/zinc/22/97/91/482229791.db2.gz ZGFQJPIWEVRUHZ-UHFFFAOYSA-N 0 0 336.391 2.838 10 5 EFBERN COC(=O)c1cc(N[C@@H](CCO)c2ccco2)cc(C)c1[N+](=O)[O-] ZINC000184344407 533894261 /nfs/dbraw/zinc/89/42/61/533894261.db2.gz FMLFLLSDGLTQGS-ZDUSSCGKSA-N 0 0 334.328 2.818 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000191344380 534055781 /nfs/dbraw/zinc/05/57/81/534055781.db2.gz KFAQYINQSBGYTR-CYBMUJFWSA-N 0 0 343.387 2.967 10 5 EFBERN CCC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)OC ZINC000539139177 517599140 /nfs/dbraw/zinc/59/91/40/517599140.db2.gz APKJTYSEMIPHLE-CYBMUJFWSA-N 0 0 336.388 2.964 10 5 EFBERN CC(C)(C(=O)N1CC[C@]2(C1)CCCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000342672325 534316246 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CC(C)c1nnc2n1CCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]2C ZINC000189541716 519895087 /nfs/dbraw/zinc/89/50/87/519895087.db2.gz KKPCADBCTQURKK-CYBMUJFWSA-N 0 0 345.403 2.765 10 5 EFBERN CC(C)c1nnc2n1C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000195314936 519897362 /nfs/dbraw/zinc/89/73/62/519897362.db2.gz GDVUUKBHDZDVPM-SNVBAGLBSA-N 0 0 346.347 2.645 10 5 EFBERN CCOCCOCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181947569 519989067 /nfs/dbraw/zinc/98/90/67/519989067.db2.gz JSTFRZWWXHRUCI-UHFFFAOYSA-N 0 0 336.266 2.605 10 5 EFBERN CCOC(=O)C1(N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)CCCCC1 ZINC000157875577 520467487 /nfs/dbraw/zinc/46/74/87/520467487.db2.gz QNFNJWNMEXHCBH-UHFFFAOYSA-N 0 0 349.387 2.636 10 5 EFBERN CCOc1ccc(C(=O)N(C)c2ncccc2OC)cc1[N+](=O)[O-] ZINC000121267386 520891005 /nfs/dbraw/zinc/89/10/05/520891005.db2.gz XDIIVHSAYGUERE-UHFFFAOYSA-N 0 0 331.328 2.674 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000073264483 520915619 /nfs/dbraw/zinc/91/56/19/520915619.db2.gz RGUBBDQVJSHLRW-WMLDXEAASA-N 0 0 336.388 2.927 10 5 EFBERN CCOC(=O)[C@@]1(C)CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000154922550 521179325 /nfs/dbraw/zinc/17/93/25/521179325.db2.gz ABFYZERISLGGGG-KRWDZBQOSA-N 0 0 329.356 2.923 10 5 EFBERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)cs1 ZINC000190021400 534570866 /nfs/dbraw/zinc/57/08/66/534570866.db2.gz XIXRKMRCVSYZKP-LBPRGKRZSA-N 0 0 332.385 2.919 10 5 EFBERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000106894747 521677793 /nfs/dbraw/zinc/67/77/93/521677793.db2.gz QASSFSXYRGLMDZ-LLVKDONJSA-N 0 0 348.446 2.626 10 5 EFBERN CNC(=O)c1ccc(NCCC[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000154497847 521848309 /nfs/dbraw/zinc/84/83/09/521848309.db2.gz XFUOLRYILNTDSR-MLGOLLRUSA-N 0 0 335.404 2.698 10 5 EFBERN CCc1cnc(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000081205403 522004647 /nfs/dbraw/zinc/00/46/47/522004647.db2.gz BIQXPTKLAUAANM-UHFFFAOYSA-N 0 0 349.412 2.742 10 5 EFBERN CCc1cnc(CCNC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000081205092 522009199 /nfs/dbraw/zinc/00/91/99/522009199.db2.gz DIKDVMMGQSCQKU-UHFFFAOYSA-N 0 0 325.415 2.956 10 5 EFBERN CN(C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000120292180 522022561 /nfs/dbraw/zinc/02/25/61/522022561.db2.gz YHVHXYYYWIOKAU-HNNXBMFYSA-N 0 0 342.355 2.702 10 5 EFBERN COc1cc(C(=O)NCc2ccc(Cl)cn2)cc([N+](=O)[O-])c1C ZINC000190003382 522125125 /nfs/dbraw/zinc/12/51/25/522125125.db2.gz NHROECMOWARZNO-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN CC[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nccs1 ZINC000181257815 522527162 /nfs/dbraw/zinc/52/71/62/522527162.db2.gz LAYQEVVWKBWLLF-VIFPVBQESA-N 0 0 335.341 2.661 10 5 EFBERN CC(C)(C)C[C@H](O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359445435 534649537 /nfs/dbraw/zinc/64/95/37/534649537.db2.gz YOMYCIYPVKFUPU-JTQLQIEISA-N 0 0 346.330 2.723 10 5 EFBERN CC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000120414125 522663780 /nfs/dbraw/zinc/66/37/80/522663780.db2.gz LEAWDKVHTZQXIW-LLVKDONJSA-N 0 0 348.384 2.566 10 5 EFBERN CC[C@@H](NC(=O)NCc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000122215090 522733674 /nfs/dbraw/zinc/73/36/74/522733674.db2.gz FNIAZSROQKWTMU-OAHLLOKOSA-N 0 0 331.376 2.587 10 5 EFBERN CCc1noc(C)c1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121058396 522876538 /nfs/dbraw/zinc/87/65/38/522876538.db2.gz BKLMRMDGSCMUNP-UHFFFAOYSA-N 0 0 341.327 2.892 10 5 EFBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCOC1 ZINC000182622718 534671439 /nfs/dbraw/zinc/67/14/39/534671439.db2.gz TUJXLXACZGOXSD-JTQLQIEISA-N 0 0 330.793 2.636 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCC[C@H](C(F)(F)F)C1 ZINC000160332643 534672778 /nfs/dbraw/zinc/67/27/78/534672778.db2.gz WQQBOOZCWZROQK-VIFPVBQESA-N 0 0 349.334 2.883 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1N1CC(O)(c2ccc(F)cc2)C1 ZINC000192786745 522940347 /nfs/dbraw/zinc/94/03/47/522940347.db2.gz NHEKOKIQDMNKAD-UHFFFAOYSA-N 0 0 332.331 2.588 10 5 EFBERN COC(=O)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000171548056 523124311 /nfs/dbraw/zinc/12/43/11/523124311.db2.gz VWIQIKSBEHFFFV-UHFFFAOYSA-N 0 0 343.339 2.656 10 5 EFBERN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC000154799012 523773091 /nfs/dbraw/zinc/77/30/91/523773091.db2.gz QTKHVOLPUZNHMM-SCOAYWHSSA-N 0 0 340.383 2.878 10 5 EFBERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000249751792 523806394 /nfs/dbraw/zinc/80/63/94/523806394.db2.gz RMHLIZSZVLEMJS-KCXAZCMYSA-N 0 0 346.383 2.850 10 5 EFBERN CCc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000135735927 523887079 /nfs/dbraw/zinc/88/70/79/523887079.db2.gz FUOQLEVQCOLZHV-MRXNPFEDSA-N 0 0 341.367 2.846 10 5 EFBERN CN1CC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc21 ZINC000194532745 523980567 /nfs/dbraw/zinc/98/05/67/523980567.db2.gz PLDIWWOJDUOPGM-CYBMUJFWSA-N 0 0 340.383 2.531 10 5 EFBERN COc1ccc(CNC(=O)COc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000077910647 524052738 /nfs/dbraw/zinc/05/27/38/524052738.db2.gz WQJZMOATPWBJBZ-UHFFFAOYSA-N 0 0 330.340 2.607 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(N)c([N+](=O)[O-])c1 ZINC000245718345 524138548 /nfs/dbraw/zinc/13/85/48/524138548.db2.gz PEQITRWWMNLMAQ-IUIKQTSFSA-N 0 0 345.399 2.563 10 5 EFBERN Cc1cccc(C(=O)N2CCCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000186486622 524174093 /nfs/dbraw/zinc/17/40/93/524174093.db2.gz PULQBLVHXKAPFY-UHFFFAOYSA-N 0 0 340.383 2.651 10 5 EFBERN COc1cccc2c1CCN(C(=O)Nc1ccncc1[N+](=O)[O-])CC2 ZINC000193594159 524208370 /nfs/dbraw/zinc/20/83/70/524208370.db2.gz CTPKAAQNIVFUKF-UHFFFAOYSA-N 0 0 342.355 2.631 10 5 EFBERN COc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000193224029 524212955 /nfs/dbraw/zinc/21/29/55/524212955.db2.gz FPJCXJZYOHDUCM-UHFFFAOYSA-N 0 0 332.381 2.906 10 5 EFBERN CC(=O)Nc1ccccc1CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000436024797 534769526 /nfs/dbraw/zinc/76/95/26/534769526.db2.gz UFYULMALUWCLEA-GFCCVEGCSA-N 0 0 341.367 2.973 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000193679120 524340478 /nfs/dbraw/zinc/34/04/78/524340478.db2.gz DZYPWWDXMHEZQR-XJKSGUPXSA-N 0 0 349.412 2.604 10 5 EFBERN COc1ccccc1CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000104459930 524406292 /nfs/dbraw/zinc/40/62/92/524406292.db2.gz SISKQOHNFINBKM-UHFFFAOYSA-N 0 0 347.346 2.639 10 5 EFBERN Cc1cc(CC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)no1 ZINC000161764890 524629475 /nfs/dbraw/zinc/62/94/75/524629475.db2.gz FDHGSIJWQFBMFI-UHFFFAOYSA-N 0 0 326.312 2.929 10 5 EFBERN C[C@@H](COCc1ccccc1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181134406 524818852 /nfs/dbraw/zinc/81/88/52/524818852.db2.gz OWGLUYQCOXUTKQ-LBPRGKRZSA-N 0 0 329.356 2.512 10 5 EFBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000120108620 524894883 /nfs/dbraw/zinc/89/48/83/524894883.db2.gz PBTLTOJWKGKNDB-ZDUSSCGKSA-N 0 0 344.367 2.769 10 5 EFBERN Cc1cccc2c1OCC[C@H]2NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000191451415 524954637 /nfs/dbraw/zinc/95/46/37/524954637.db2.gz MDZDEBIQNISJFP-CQSZACIVSA-N 0 0 341.367 2.955 10 5 EFBERN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000152606031 524972577 /nfs/dbraw/zinc/97/25/77/524972577.db2.gz BHMSEYYALBLCNH-LRDDRELGSA-N 0 0 342.351 2.655 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(-n2cccn2)c1 ZINC000133727018 524983554 /nfs/dbraw/zinc/98/35/54/524983554.db2.gz WGHROORJBXGLHR-LBPRGKRZSA-N 0 0 349.350 2.767 10 5 EFBERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089420642 525126668 /nfs/dbraw/zinc/12/66/68/525126668.db2.gz YYPJDYYELZWSFT-BJOHPYRUSA-N 0 0 338.323 2.974 10 5 EFBERN C[C@](O)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000190518985 525171627 /nfs/dbraw/zinc/17/16/27/525171627.db2.gz BCAZVVIXAJCUAA-SFHVURJKSA-N 0 0 349.431 2.844 10 5 EFBERN Cc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151806162 525234198 /nfs/dbraw/zinc/23/41/98/525234198.db2.gz PDXVYWKLWPVJEY-BXUZGUMPSA-N 0 0 330.344 2.595 10 5 EFBERN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC(C)(C)C ZINC000152787173 525305853 /nfs/dbraw/zinc/30/58/53/525305853.db2.gz CMNIRTGOLRWLFM-SECBINFHSA-N 0 0 333.344 2.536 10 5 EFBERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000114295371 525428074 /nfs/dbraw/zinc/42/80/74/525428074.db2.gz MHYCUUJBIAPVHA-UHFFFAOYSA-N 0 0 334.353 2.559 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2N(C)C(C)=O)c1 ZINC000118260690 525448848 /nfs/dbraw/zinc/44/88/48/525448848.db2.gz LRVFFLMGBWXZHS-UHFFFAOYSA-N 0 0 343.339 2.838 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000075512219 525466975 /nfs/dbraw/zinc/46/69/75/525466975.db2.gz GMVUYXRCRIJOAL-LBPRGKRZSA-N 0 0 348.384 2.667 10 5 EFBERN Cc1c(Br)c(N[C@@H](C)c2cn[nH]c2)ncc1[N+](=O)[O-] ZINC000230588742 525523466 /nfs/dbraw/zinc/52/34/66/525523466.db2.gz KMSJPTOCFUDWDZ-ZETCQYMHSA-N 0 0 326.154 2.957 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246221141 525560716 /nfs/dbraw/zinc/56/07/16/525560716.db2.gz FKQYOAPWKSZDMI-ARFHVFGLSA-N 0 0 330.384 2.981 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000195235922 525561055 /nfs/dbraw/zinc/56/10/55/525561055.db2.gz XMMHRQWZQGMQKS-OAHLLOKOSA-N 0 0 339.351 2.759 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2ccn(-c3c(F)cccc3F)n2)c1=O ZINC000120273539 525575297 /nfs/dbraw/zinc/57/52/97/525575297.db2.gz PUCMCBMYKFWQAP-UHFFFAOYSA-N 0 0 346.293 2.577 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000063186964 525584016 /nfs/dbraw/zinc/58/40/16/525584016.db2.gz BBLSCTOEHKIXAE-LSDHHAIUSA-N 0 0 332.381 2.738 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000067877586 525585144 /nfs/dbraw/zinc/58/51/44/525585144.db2.gz BBLSCTOEHKIXAE-HUUCEWRRSA-N 0 0 332.381 2.738 10 5 EFBERN Cc1c(NC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000067885709 525829203 /nfs/dbraw/zinc/82/92/03/525829203.db2.gz PXDYSZRWAMYXST-ZFWWWQNUSA-N 0 0 339.351 2.514 10 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2.685 10 5 EFBERN COc1cc(COC(=O)Cc2ccc3c(c2)COC3)ccc1[N+](=O)[O-] ZINC000755142237 575550089 /nfs/dbraw/zinc/55/00/89/575550089.db2.gz KFVHLFAIHJRTLZ-UHFFFAOYSA-N 0 0 343.335 2.920 10 5 EFBERN COC(=O)c1cc(OC[C@H](O)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000755331732 575575497 /nfs/dbraw/zinc/57/54/97/575575497.db2.gz AAWRNSQKFMQCCH-INIZCTEOSA-N 0 0 331.324 2.802 10 5 EFBERN O=C(COC(=O)[C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000755368896 575579684 /nfs/dbraw/zinc/57/96/84/575579684.db2.gz GXOLSUYHNNJBJG-CQSZACIVSA-N 0 0 341.319 2.572 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000755492430 575591097 /nfs/dbraw/zinc/59/10/97/575591097.db2.gz DIDYESZIVLGNII-BSQDILAGSA-N 0 0 345.399 2.549 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000755498813 575592580 /nfs/dbraw/zinc/59/25/80/575592580.db2.gz MMHSXVCXAAIQCG-NSHDSACASA-N 0 0 342.442 2.572 10 5 EFBERN CC(=CC(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000755509328 575593570 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CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@@H](C)OCc2ccccc2)n1 ZINC000755590187 575604250 /nfs/dbraw/zinc/60/42/50/575604250.db2.gz BDFAXPHEWHDEQP-CYBMUJFWSA-N 0 0 347.371 2.963 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)n1 ZINC000755590475 575604727 /nfs/dbraw/zinc/60/47/27/575604727.db2.gz GDBLKSRBDSBGND-GFCCVEGCSA-N 0 0 345.355 2.856 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCc3ccccc3C2=O)n1 ZINC000755591079 575604820 /nfs/dbraw/zinc/60/48/20/575604820.db2.gz JJDQWKJIWWHALQ-AWEZNQCLSA-N 0 0 343.339 2.556 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCCn1ccccc1=O ZINC000755665747 575615716 /nfs/dbraw/zinc/61/57/16/575615716.db2.gz RKNQUEWZCXKLPL-BUHFOSPRSA-N 0 0 342.351 2.793 10 5 EFBERN CCOC(=O)N(C)CCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000755670277 575616021 /nfs/dbraw/zinc/61/60/21/575616021.db2.gz JYJVPUBVXYJGJR-QXMHVHEDSA-N 0 0 336.344 2.630 10 5 EFBERN C[C@@H](C(=O)OCC[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1F ZINC000755738201 575626123 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EFBERN CC(C)[C@H]1CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000755926413 575658164 /nfs/dbraw/zinc/65/81/64/575658164.db2.gz XRLXKTSJUNAYKR-HNNXBMFYSA-N 0 0 342.399 2.754 10 5 EFBERN COc1cc(C(=O)OCCC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000756065811 575678828 /nfs/dbraw/zinc/67/88/28/575678828.db2.gz KDWHLYLDFLJXLO-LLVKDONJSA-N 0 0 339.344 2.728 10 5 EFBERN CC[C@H](C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000756347733 575721154 /nfs/dbraw/zinc/72/11/54/575721154.db2.gz AMKSZGSRYORBNL-LBPRGKRZSA-N 0 0 334.372 2.967 10 5 EFBERN CC[C@@H](C)C(=O)COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000756375528 575725987 /nfs/dbraw/zinc/72/59/87/575725987.db2.gz SIKGPBWPCDUOCB-LLVKDONJSA-N 0 0 331.328 2.553 10 5 EFBERN CC(C)[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000756391413 575729485 /nfs/dbraw/zinc/72/94/85/575729485.db2.gz FTTCGZJWSTXVMG-HNNXBMFYSA-N 0 0 335.335 2.913 10 5 EFBERN CC[C@@H](C)C(=O)COC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000756412084 575733359 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COC(=O)/C=C\c1ccc(N[C@H]2CC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000757785125 575852728 /nfs/dbraw/zinc/85/27/28/575852728.db2.gz ARNFJVISXAMATG-MWASSDMHSA-N 0 0 334.372 2.744 10 5 EFBERN O=C(OCc1cnn(-c2ccccc2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000757882064 575855141 /nfs/dbraw/zinc/85/51/41/575855141.db2.gz SQVAVDNJJARWRM-UHFFFAOYSA-N 0 0 342.286 2.672 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)OCCN2CCSCC2)c1 ZINC000757928139 575856008 /nfs/dbraw/zinc/85/60/08/575856008.db2.gz VNZXIRKMUFQGCL-UHFFFAOYSA-N 0 0 342.442 2.522 10 5 EFBERN COc1ccc(NC(=O)NOCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000757993352 575857608 /nfs/dbraw/zinc/85/76/08/575857608.db2.gz KIJVIRUFHCESIF-UHFFFAOYSA-N 0 0 335.291 2.996 10 5 EFBERN COc1cc(COc2ccc([N+](=O)[O-])c(CO)c2)ccc1[N+](=O)[O-] ZINC000757994365 575857616 /nfs/dbraw/zinc/85/76/16/575857616.db2.gz LWQDSUHQGRWFDK-UHFFFAOYSA-N 0 0 334.284 2.583 10 5 EFBERN CN1C(=O)CCc2cc(C(=O)OCc3csc([N+](=O)[O-])c3)ccc21 ZINC000758585970 575873412 /nfs/dbraw/zinc/87/34/12/575873412.db2.gz IAJUJWIXHSGMED-UHFFFAOYSA-N 0 0 346.364 2.922 10 5 EFBERN Cc1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)nc2ccccc12 ZINC000758955720 575881118 /nfs/dbraw/zinc/88/11/18/575881118.db2.gz FWFSLEBDFOOXEX-UHFFFAOYSA-N 0 0 338.323 2.786 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1c(O)cccc1F ZINC000759076676 575884113 /nfs/dbraw/zinc/88/41/13/575884113.db2.gz UZMVETZGFPALGA-UHFFFAOYSA-N 0 0 344.295 2.688 10 5 EFBERN COc1cc2c(cc1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)OCO2 ZINC000759161858 575885970 /nfs/dbraw/zinc/88/59/70/575885970.db2.gz XAVUKUZCROCZGX-UHFFFAOYSA-N 0 0 335.243 2.690 10 5 EFBERN COC(=O)[C@]1(C)CCCN1C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000759629973 575912845 /nfs/dbraw/zinc/91/28/45/575912845.db2.gz GPDNTYSYZQARKV-CPFIRTDXSA-N 0 0 332.356 2.552 10 5 EFBERN C[C@@H]1C[C@]2(C[C@H]2C(=O)OCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000759647626 575915015 /nfs/dbraw/zinc/91/50/15/575915015.db2.gz DSLFFKPINJKWQY-PVUWLOKVSA-N 0 0 335.356 2.722 10 5 EFBERN C[C@@H]1C[C@]2(C[C@@H]2C(=O)OCCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000759656321 575916264 /nfs/dbraw/zinc/91/62/64/575916264.db2.gz BGCBJZVHYKVPNX-VMGRFDJRSA-N 0 0 335.356 2.722 10 5 EFBERN C[C@@H]1C[C@@]2(C[C@@H]2C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000759660897 575916864 /nfs/dbraw/zinc/91/68/64/575916864.db2.gz IXXNENYZRIBCTM-ILMHXZGMSA-N 0 0 346.339 2.984 10 5 EFBERN COc1cc2c(cc1C(=O)OCc1c(F)cccc1[N+](=O)[O-])OCO2 ZINC000759783047 575933745 /nfs/dbraw/zinc/93/37/45/575933745.db2.gz DYQHYGWSBVQWJL-UHFFFAOYSA-N 0 0 349.270 2.828 10 5 EFBERN COCCCCC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000759935617 575958365 /nfs/dbraw/zinc/95/83/65/575958365.db2.gz STVSPCIDNXAOGO-QWHCGFSZSA-N 0 0 325.365 2.635 10 5 EFBERN CC(C)CO[C@H](C)C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000759947163 575960157 /nfs/dbraw/zinc/96/01/57/575960157.db2.gz WEZUWLZAIOQADB-MCIONIFRSA-N 0 0 339.392 2.879 10 5 EFBERN CC(C)CO[C@H](C)C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000759947161 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/nfs/dbraw/zinc/37/47/96/577374796.db2.gz HSVNIFHIFIBXRQ-VURMDHGXSA-N 0 0 348.384 2.852 10 5 EFBERN C/C(=C/C(=O)N[C@@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000769621595 577375701 /nfs/dbraw/zinc/37/57/01/577375701.db2.gz CZFCIDDQNSXJKR-SSCKCOOKSA-N 0 0 330.340 2.831 10 5 EFBERN Cc1nn(CCC(=O)OCc2nc3ccccc3o2)c(C)c1[N+](=O)[O-] ZINC000726647288 577377695 /nfs/dbraw/zinc/37/76/95/577377695.db2.gz JIKILAUYWVOLQG-UHFFFAOYSA-N 0 0 344.327 2.683 10 5 EFBERN COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1O ZINC000769668648 577377794 /nfs/dbraw/zinc/37/77/94/577377794.db2.gz AZOUFGNLPRIPGY-UHFFFAOYSA-N 0 0 344.323 2.956 10 5 EFBERN CC(C)(C(=O)OCCCC(=O)c1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000726663940 577378321 /nfs/dbraw/zinc/37/83/21/577378321.db2.gz MYIGXOVLJZFXBW-UHFFFAOYSA-N 0 0 345.355 2.733 10 5 EFBERN Cc1oc(-c2ccsc2)nc1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000726808947 577387328 /nfs/dbraw/zinc/38/73/28/577387328.db2.gz PEWHOPSCDBRKRZ-UHFFFAOYSA-N 0 0 348.340 2.560 10 5 EFBERN O=C(OCc1cn(-c2ccccc2)nn1)c1cc(F)ccc1[N+](=O)[O-] ZINC000726811863 577387856 /nfs/dbraw/zinc/38/78/56/577387856.db2.gz BOKOSUVQLWEOSZ-UHFFFAOYSA-N 0 0 342.286 2.672 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC(F)(F)C[C@H]2CO)cc1C(F)(F)F ZINC000201706922 577392819 /nfs/dbraw/zinc/39/28/19/577392819.db2.gz JIBMTMRGKUHCNX-QMMMGPOBSA-N 0 0 326.221 2.820 10 5 EFBERN O=C(NCC[C@@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770008361 577397460 /nfs/dbraw/zinc/39/74/60/577397460.db2.gz XAZZFYUADJYUSK-SECBINFHSA-N 0 0 341.673 2.683 10 5 EFBERN Cn1ccsc1=NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000770144723 577404179 /nfs/dbraw/zinc/40/41/79/577404179.db2.gz HSHVJPUWJFSAGG-UHFFFAOYSA-N 0 0 335.388 2.822 10 5 EFBERN Nc1cc(Cl)c(Cl)c(C(=O)OCCn2cc([N+](=O)[O-])cn2)c1 ZINC000748134067 577406221 /nfs/dbraw/zinc/40/62/21/577406221.db2.gz NKDWJHKKPNNROS-UHFFFAOYSA-N 0 0 345.142 2.537 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000770380504 577413910 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CC(C)(C)OC(=O)CSCC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000771484247 581216786 /nfs/dbraw/zinc/21/67/86/581216786.db2.gz PUPGAWLHSOZZMA-UHFFFAOYSA-N 0 0 345.348 2.714 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)OCc2ccc(Br)s2)n1 ZINC000772057561 581276881 /nfs/dbraw/zinc/27/68/81/581276881.db2.gz KKFWRPYYDOTZCV-UHFFFAOYSA-N 0 0 346.162 2.509 10 5 EFBERN COc1ccc(CC(=O)OCc2ccc(C)nc2C)cc1[N+](=O)[O-] ZINC000772084593 581280592 /nfs/dbraw/zinc/28/05/92/581280592.db2.gz WZXPOEGAUDTJJI-UHFFFAOYSA-N 0 0 330.340 2.901 10 5 EFBERN Cc1ccc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000772168063 581291522 /nfs/dbraw/zinc/29/15/22/581291522.db2.gz VXMCQLHNNMSAQP-UHFFFAOYSA-N 0 0 329.356 2.786 10 5 EFBERN COC(=O)N1CCC[C@H]([C@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000772256699 581300470 /nfs/dbraw/zinc/30/04/70/581300470.db2.gz CZHHSEODIAGMOL-RYUDHWBXSA-N 0 0 347.375 2.521 10 5 EFBERN COC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000772264787 581301909 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CC(C)(O)CCOC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000773597024 581449131 /nfs/dbraw/zinc/44/91/31/581449131.db2.gz DGFVXVPFCNFOGM-UHFFFAOYSA-N 0 0 325.364 2.999 10 5 EFBERN O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCC(=O)CC1 ZINC000774175661 581486491 /nfs/dbraw/zinc/48/64/91/581486491.db2.gz JENAZTUHLDGGHR-UONOGXRCSA-N 0 0 335.360 2.578 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])O[C@@H](C(F)F)[C@@H]1CCCO1 ZINC000774437233 581491562 /nfs/dbraw/zinc/49/15/62/581491562.db2.gz IRTSTPSVINMILA-GXTWGEPZSA-N 0 0 344.314 2.753 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)O[C@@H](C(F)F)[C@H]1CCCO1 ZINC000774444501 581491684 /nfs/dbraw/zinc/49/16/84/581491684.db2.gz PZECCAWEVZMDBT-TZMCWYRMSA-N 0 0 329.299 2.883 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(F)F)[C@@H]2CCCO2)c1 ZINC000774462466 581492174 /nfs/dbraw/zinc/49/21/74/581492174.db2.gz ILLAIDIOUIRSBP-RYUDHWBXSA-N 0 0 331.271 2.573 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(F)F)[C@H]2CCCO2)c1 ZINC000774462456 581492213 /nfs/dbraw/zinc/49/22/13/581492213.db2.gz ILLAIDIOUIRSBP-NEPJUHHUSA-N 0 0 331.271 2.573 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(F)F)[C@@H]1CCCO1 ZINC000774473181 581492382 /nfs/dbraw/zinc/49/23/82/581492382.db2.gz WNTWBARMAWGZOZ-RYUDHWBXSA-N 0 0 331.271 2.573 10 5 EFBERN COC(=O)C[C@H](C)OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000774522211 581493190 /nfs/dbraw/zinc/49/31/90/581493190.db2.gz WPUJGYWTQPRIFO-VIFPVBQESA-N 0 0 327.308 2.506 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1csc(Cl)n1 ZINC000774534831 581493524 /nfs/dbraw/zinc/49/35/24/581493524.db2.gz ISCRWIPSZSVFBJ-UHFFFAOYSA-N 0 0 337.748 2.511 10 5 EFBERN O=C(OC[C@H]1CCCN1CC(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000774649958 581496533 /nfs/dbraw/zinc/49/65/33/581496533.db2.gz NWYJNIGXHWMQGA-LLVKDONJSA-N 0 0 332.278 2.620 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(-n4ccnc4)nc3)nc2c1 ZINC000774656476 581496715 /nfs/dbraw/zinc/49/67/15/581496715.db2.gz CROMLDOBDGPUAW-UHFFFAOYSA-N 0 0 335.327 2.664 10 5 EFBERN CN(CCCNC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000774666031 581497022 /nfs/dbraw/zinc/49/70/22/581497022.db2.gz CVODCLIHNLGAGR-UHFFFAOYSA-N 0 0 349.391 2.822 10 5 EFBERN COc1cccc([C@@H](O)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000774667750 581497123 /nfs/dbraw/zinc/49/71/23/581497123.db2.gz QYDURUOIZSOAAL-HNNXBMFYSA-N 0 0 328.328 2.625 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000774788947 581500968 /nfs/dbraw/zinc/50/09/68/581500968.db2.gz CVIDSQRXXJFLBC-BDJLRTHQSA-N 0 0 347.346 2.828 10 5 EFBERN C[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000774788949 581500986 /nfs/dbraw/zinc/50/09/86/581500986.db2.gz CVIDSQRXXJFLBC-MEDUHNTESA-N 0 0 347.346 2.828 10 5 EFBERN Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)cn1 ZINC000774914126 581504040 /nfs/dbraw/zinc/50/40/40/581504040.db2.gz LNVNGBUHLXVPIJ-UHFFFAOYSA-N 0 0 345.336 2.614 10 5 EFBERN Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000785343122 1249665575 /nfs/dbraw/zinc/66/55/75/1249665575.db2.gz NLPKCHSRFFZWNM-YFKFIEJBSA-N 0 0 330.793 2.633 10 5 EFBERN Cc1cc(Cl)c(S(=O)(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000785343121 1249666275 /nfs/dbraw/zinc/66/62/75/1249666275.db2.gz NLPKCHSRFFZWNM-WOFXILAISA-N 0 0 330.793 2.633 10 5 EFBERN CC(C)(C)OC(=O)CCCn1cc([N+](=O)[O-])nc1Br ZINC000849991895 1250212630 /nfs/dbraw/zinc/21/26/30/1250212630.db2.gz DWBAZHFFNLJFQV-UHFFFAOYSA-N 0 0 334.170 2.676 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)Cc1ccco1 ZINC000850057476 1250251097 /nfs/dbraw/zinc/25/10/97/1250251097.db2.gz WTKGOHVUOFTFAQ-GFCCVEGCSA-N 0 0 346.339 2.857 10 5 EFBERN COc1ccc(OCCOC(=O)[C@H](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000850058966 1250252360 /nfs/dbraw/zinc/25/23/60/1250252360.db2.gz SCAFMCKWYAMNFS-GFCCVEGCSA-N 0 0 349.339 2.997 10 5 EFBERN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1CC2(C1)CCCCC2 ZINC000850072733 1250258761 /nfs/dbraw/zinc/25/87/61/1250258761.db2.gz IXMYMLVASNCMAK-UHFFFAOYSA-N 0 0 334.372 2.660 10 5 EFBERN CC1=CC[C@@](C)(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000850097034 1250277365 /nfs/dbraw/zinc/27/73/65/1250277365.db2.gz ZJJAQYDEHSAXEP-QGZVFWFLSA-N 0 0 332.356 2.873 10 5 EFBERN CNC(=O)c1cccc(COC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000733821439 1265431620 /nfs/dbraw/zinc/43/16/20/1265431620.db2.gz OJJCRNFDXVUCLQ-UHFFFAOYSA-N 0 0 334.353 2.681 10 5 EFBERN COC(OC)[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000922312025 1265458738 /nfs/dbraw/zinc/45/87/38/1265458738.db2.gz PWNGCUJGGKVYSN-JTQLQIEISA-N 0 0 337.401 2.815 10 5 EFBERN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccnn1C1CCOCC1 ZINC000850330807 1250431854 /nfs/dbraw/zinc/43/18/54/1250431854.db2.gz SFBOFRDTCGPNIG-UHFFFAOYSA-N 0 0 349.318 2.639 10 5 EFBERN COc1cc(CN[C@H]2C[C@H](O)c3ccccc32)c([N+](=O)[O-])cc1O ZINC000850371459 1250451834 /nfs/dbraw/zinc/45/18/34/1250451834.db2.gz JVNZALLKDDDPES-ZFWWWQNUSA-N 0 0 330.340 2.577 10 5 EFBERN O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc1Br ZINC000850389221 1250461172 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343.335 2.939 10 5 EFBERN CO[C@@H]1CC[C@H](C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000851035538 1250765466 /nfs/dbraw/zinc/76/54/66/1250765466.db2.gz QDESCTGNJYSJOM-UAGQMJEPSA-N 0 0 348.399 2.527 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCc2coc(Br)c2)n1 ZINC000851167486 1250838121 /nfs/dbraw/zinc/83/81/21/1250838121.db2.gz IARXDVBPBXJMBV-UHFFFAOYSA-N 0 0 344.121 2.524 10 5 EFBERN O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000851221244 1250869622 /nfs/dbraw/zinc/86/96/22/1250869622.db2.gz CHVMKSSORUJDPH-UBSAEIQESA-N 0 0 327.340 2.983 10 5 EFBERN COC[C@H](C)Oc1ccc(COC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000851388041 1250965274 /nfs/dbraw/zinc/96/52/74/1250965274.db2.gz PSZSQERVIZILHQ-LBPRGKRZSA-N 0 0 348.355 2.704 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000851439124 1251001545 /nfs/dbraw/zinc/00/15/45/1251001545.db2.gz RSIHTPMYTOUWPX-AAEUAGOBSA-N 0 0 333.319 2.911 10 5 EFBERN C/C(=C/C(=O)OC[C@H]1CCCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000851564187 1251091095 /nfs/dbraw/zinc/09/10/95/1251091095.db2.gz ISOGYCUGORDRCO-BMOGTNHUSA-N 0 0 346.383 2.800 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000851643765 1251166878 /nfs/dbraw/zinc/16/68/78/1251166878.db2.gz DQXBXXACHUGTIT-MRXNPFEDSA-N 0 0 340.383 2.660 10 5 EFBERN CC1(C)C[C@@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001687446981 1253052126 /nfs/dbraw/zinc/05/21/26/1253052126.db2.gz WWJOFPUNQGROGO-NSHDSACASA-N 0 0 342.193 2.955 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922380059 1265868995 /nfs/dbraw/zinc/86/89/95/1265868995.db2.gz KGWIXAJAPIFYGK-JGPRNRPPSA-N 0 0 326.299 2.841 10 5 EFBERN COC(=O)c1ccc(OC(=O)/C(C)=C/c2cccnc2)cc1[N+](=O)[O-] ZINC001127815829 1256336582 /nfs/dbraw/zinc/33/65/82/1256336582.db2.gz ZFTHKNSJQFDOIS-DHZHZOJOSA-N 0 0 342.307 2.785 10 5 EFBERN C=COCCOC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000755782241 1256545854 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2.790 10 5 EFBERN Cn1cnc2cc(CNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc21 ZINC001626054626 1257888649 /nfs/dbraw/zinc/88/86/49/1257888649.db2.gz FRVADEVBTBZCJI-UITAMQMPSA-N 0 0 336.351 2.811 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1cc(F)ccc1OC ZINC001626278905 1257930338 /nfs/dbraw/zinc/93/03/38/1257930338.db2.gz PWUWKSODHSZFIU-CYBMUJFWSA-N 0 0 335.335 2.962 10 5 EFBERN O=C(OCCO[C@@H]1CCOC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000922546931 1266224739 /nfs/dbraw/zinc/22/47/39/1266224739.db2.gz GZAFSUMHWCGLAF-GFCCVEGCSA-N 0 0 349.261 2.576 10 5 EFBERN C[C@@H](NC(=O)NC[C@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC001671010694 1259507407 /nfs/dbraw/zinc/50/74/07/1259507407.db2.gz XJTOCQVBAFXWQD-DOMZBBRYSA-N 0 0 349.387 2.641 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CC1)COCCO2 ZINC000922567295 1266273349 /nfs/dbraw/zinc/27/33/49/1266273349.db2.gz PUTIVWOOCZWCPL-UHFFFAOYSA-N 0 0 348.399 2.542 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)OCc2cccc(OC(C)(C)C)c2)n1 ZINC000922577820 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ZINC001487403292 1261846309 /nfs/dbraw/zinc/84/63/09/1261846309.db2.gz ZSNCARQVOJNKLF-UHFFFAOYSA-N 0 0 349.412 2.840 10 5 EFBERN Cc1cnn(CCOC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000791518719 1278149658 /nfs/dbraw/zinc/14/96/58/1278149658.db2.gz DVMAARWYIPBKSW-LBPRGKRZSA-N 0 0 335.385 2.824 10 5 EFBERN C[C@@H](NC(=O)NCC[C@@H](O)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001687491833 1263176559 /nfs/dbraw/zinc/17/65/59/1263176559.db2.gz BXVVAQZPEPBYBF-MLGOLLRUSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](NC(=O)NCC[C@H](O)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001687491834 1263176732 /nfs/dbraw/zinc/17/67/32/1263176732.db2.gz BXVVAQZPEPBYBF-WBMJQRKESA-N 0 0 335.404 2.896 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC001128216421 1263776575 /nfs/dbraw/zinc/77/65/75/1263776575.db2.gz CAMWCCLCHWALRF-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CC(=O)c1cnccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001128253010 1263962161 /nfs/dbraw/zinc/96/21/61/1263962161.db2.gz BOLQFYWUOIICAE-UHFFFAOYSA-N 0 0 327.340 2.531 10 5 EFBERN C[C@@H]1CC[C@H](CO)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000921992337 1264055533 /nfs/dbraw/zinc/05/55/33/1264055533.db2.gz YQIXWGPFFNROFQ-ZWNOBZJWSA-N 0 0 347.396 2.704 10 5 EFBERN C[C@H](Nc1ccc(C(=O)N(C)C#N)cc1[N+](=O)[O-])c1ccccn1 ZINC001128270430 1264068807 /nfs/dbraw/zinc/06/88/07/1264068807.db2.gz NZLMVRSAQRCJMA-NSHDSACASA-N 0 0 325.328 2.716 10 5 EFBERN O=C(OCc1c(F)cccc1[N+](=O)[O-])C(F)(F)C1CCOCC1 ZINC000791604850 1278216546 /nfs/dbraw/zinc/21/65/46/1278216546.db2.gz YFAHQRAFAJQOPZ-UHFFFAOYSA-N 0 0 333.262 2.839 10 5 EFBERN CC1(C)SC[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001128292678 1264160912 /nfs/dbraw/zinc/16/09/12/1264160912.db2.gz NHNOBTNKJFVJPA-LBPRGKRZSA-N 0 0 331.397 2.954 10 5 EFBERN CC[C@@H](C)[C@H](OC)C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000796863835 1264181266 /nfs/dbraw/zinc/18/12/66/1264181266.db2.gz SWQVMQFDEITIJM-KCXAZCMYSA-N 0 0 336.388 2.778 10 5 EFBERN CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(C)(C)C 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PAUNBOBVHNIMPL-JSGCOSHPSA-N 0 0 341.367 2.812 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922170679 1264742415 /nfs/dbraw/zinc/74/24/15/1264742415.db2.gz HNFAJJAMJXZZFU-CMPLNLGQSA-N 0 0 333.262 2.790 10 5 EFBERN C[C@H]1Cn2nccc2N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000922204383 1264910810 /nfs/dbraw/zinc/91/08/10/1264910810.db2.gz ZBHBPRFJPANDFD-SNVBAGLBSA-N 0 0 325.328 2.569 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000822501996 1265098448 /nfs/dbraw/zinc/09/84/48/1265098448.db2.gz GZEOIFCTQFDQTP-GMAGZHIISA-N 0 0 328.315 2.549 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000822502005 1265098859 /nfs/dbraw/zinc/09/88/59/1265098859.db2.gz GZEOIFCTQFDQTP-XULOGPSESA-N 0 0 328.315 2.549 10 5 EFBERN C[C@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733192921 1265116875 /nfs/dbraw/zinc/11/68/75/1265116875.db2.gz SKXRAPVRNMXFKT-RYUDHWBXSA-N 0 0 336.392 2.824 10 5 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CC[C@@H](OC)C(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000787024133 1275618370 /nfs/dbraw/zinc/61/83/70/1275618370.db2.gz DIFUQRFEUDBTPB-SWLSCSKDSA-N 0 0 340.351 2.671 10 5 EFBERN CC[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(Cl)c1F ZINC000787039979 1275624248 /nfs/dbraw/zinc/62/42/48/1275624248.db2.gz YBZIAICSYQVITO-JTQLQIEISA-N 0 0 342.714 2.673 10 5 EFBERN CC[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(Cl)c1F ZINC000787041043 1275624469 /nfs/dbraw/zinc/62/44/69/1275624469.db2.gz YBZIAICSYQVITO-SNVBAGLBSA-N 0 0 342.714 2.673 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1Oc2ccccc2[C@H]1C ZINC000787116204 1275656980 /nfs/dbraw/zinc/65/69/80/1275656980.db2.gz IUJGLFFTJAENMN-RLFDGXBXSA-N 0 0 341.367 2.860 10 5 EFBERN CO[C@@H](CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000787188803 1275712108 /nfs/dbraw/zinc/71/21/08/1275712108.db2.gz KQRUUDLCZJLMDY-JTQLQIEISA-N 0 0 337.323 2.849 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1csc(-c2ccccn2)n1 ZINC000787239111 1275731468 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Cc1ccc(NCC(C)(C)C(N)=O)c([N+](=O)[O-])c1Br ZINC000787897808 1275979974 /nfs/dbraw/zinc/97/99/74/1275979974.db2.gz SODRZXAWPGJVLP-UHFFFAOYSA-N 0 0 330.182 2.589 10 5 EFBERN CN(C)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 ZINC000788028599 1276009096 /nfs/dbraw/zinc/00/90/96/1276009096.db2.gz OAHDXEMHSQMGKH-UHFFFAOYSA-N 0 0 340.332 2.568 10 5 EFBERN Cc1cccc(OS(=O)(=O)c2cccc(N(C)C)c2)c1[N+](=O)[O-] ZINC000788065799 1276019471 /nfs/dbraw/zinc/01/94/71/1276019471.db2.gz FKQUYNUCEGNIOG-UHFFFAOYSA-N 0 0 336.369 2.737 10 5 EFBERN Cc1csc2nc(Cc3nc(CCC(C)(C)[N+](=O)[O-])no3)cn12 ZINC000867016715 1278997485 /nfs/dbraw/zinc/99/74/85/1278997485.db2.gz SMBJZXBJTWGGFC-UHFFFAOYSA-N 0 0 335.389 2.666 10 5 EFBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844432707 1278999293 /nfs/dbraw/zinc/99/92/93/1278999293.db2.gz HBCQLGKYQLEMKL-VUPYVKPUSA-N 0 0 335.212 2.607 10 5 EFBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844432713 1278999495 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EFBERN CCOC(CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)OCC ZINC000788633453 1276250120 /nfs/dbraw/zinc/25/01/20/1276250120.db2.gz VVVOZTXCMVLJMJ-UHFFFAOYSA-N 0 0 344.795 2.996 10 5 EFBERN C/C(=C\C(=O)N1CC[C@H](O)CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000817676862 1276270180 /nfs/dbraw/zinc/27/01/80/1276270180.db2.gz JMSWJLWKDRTLRA-BYIUCRAPSA-N 0 0 330.384 2.904 10 5 EFBERN O=Cc1ccc(OCC(=O)Nc2cccc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000817773818 1276295450 /nfs/dbraw/zinc/29/54/50/1276295450.db2.gz VXLBZOHQBWYIFI-UHFFFAOYSA-N 0 0 341.323 2.697 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(C2CC2)n1 ZINC000817769229 1276316503 /nfs/dbraw/zinc/31/65/03/1276316503.db2.gz RXASTYDLRDIFPJ-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCC(F)(F)F ZINC000788881844 1276372727 /nfs/dbraw/zinc/37/27/27/1276372727.db2.gz UEVIEUYCPSXTGZ-UHFFFAOYSA-N 0 0 341.625 2.511 10 5 EFBERN Cn1nccc1[C@H]1COCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844464117 1279022517 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ZINC001175072180 1287316778 /nfs/dbraw/zinc/31/67/78/1287316778.db2.gz DSJYLZRNAJSJKO-UHFFFAOYSA-N 0 0 341.298 2.505 10 5 EFBERN O=C(C1=CCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791246733 1278000081 /nfs/dbraw/zinc/00/00/81/1278000081.db2.gz YXUGILWGEIHHNP-UHFFFAOYSA-N 0 0 337.173 2.962 10 5 EFBERN Cc1nn(C)c(Cl)c1CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000791264047 1278006621 /nfs/dbraw/zinc/00/66/21/1278006621.db2.gz RPIVZJLKOBAWSG-UHFFFAOYSA-N 0 0 340.742 2.701 10 5 EFBERN Cc1sc(C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000791319015 1278031517 /nfs/dbraw/zinc/03/15/17/1278031517.db2.gz VQVSTUUXRPNPBV-VIFPVBQESA-N 0 0 325.342 2.607 10 5 EFBERN C[C@@](CO)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001144077394 1279092348 /nfs/dbraw/zinc/09/23/48/1279092348.db2.gz VNFISYARVNHKKU-SFHVURJKSA-N 0 0 340.335 2.979 10 5 EFBERN COC(=O)c1cc2c(cc1NCc1ccccc1[N+](=O)[O-])OCO2 ZINC000792739670 1279131868 /nfs/dbraw/zinc/13/18/68/1279131868.db2.gz XETBNYCWIPRHHD-UHFFFAOYSA-N 0 0 330.296 2.722 10 5 EFBERN CC(C)n1cnc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1 ZINC000844735909 1279241793 /nfs/dbraw/zinc/24/17/93/1279241793.db2.gz QYASOGNENVALAQ-UHFFFAOYSA-N 0 0 341.730 2.741 10 5 EFBERN O=C(Nc1ccnc(-n2cccn2)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001134894674 1287334611 /nfs/dbraw/zinc/33/46/11/1287334611.db2.gz IWIPDYSSSCYYMW-CVEARBPZSA-N 0 0 349.350 2.918 10 5 EFBERN C[C@@]1(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@]1(F)Cl ZINC000844805168 1279265684 /nfs/dbraw/zinc/26/56/84/1279265684.db2.gz QLZCYHOAGPWNBK-ZIAGYGMSSA-N 0 0 340.742 2.906 10 5 EFBERN C[C@@]1(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C[C@]1(F)Cl ZINC000844814720 1279270783 /nfs/dbraw/zinc/27/07/83/1279270783.db2.gz GMSRMSHXVUCOIB-ZIAGYGMSSA-N 0 0 330.743 2.795 10 5 EFBERN C[C@]1(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C[C@]1(F)Cl ZINC000844814717 1279271576 /nfs/dbraw/zinc/27/15/76/1279271576.db2.gz GMSRMSHXVUCOIB-UONOGXRCSA-N 0 0 330.743 2.795 10 5 EFBERN C[C@@]1(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@]1(F)Cl ZINC000844816890 1279274168 /nfs/dbraw/zinc/27/41/68/1279274168.db2.gz QXCHDWGWGGQNPD-KGLIPLIRSA-N 0 0 344.726 2.758 10 5 EFBERN O=C(N[C@H](C1CC1)C1CCOCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000844828909 1279281056 /nfs/dbraw/zinc/28/10/56/1279281056.db2.gz JAYJTLJDEJXWJZ-OAHLLOKOSA-N 0 0 340.326 2.808 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCc2cccnc2F)cc1[N+](=O)[O-] ZINC000792975357 1279292506 /nfs/dbraw/zinc/29/25/06/1279292506.db2.gz HFFFRMIVYLYSPL-NSHDSACASA-N 0 0 332.335 2.998 10 5 EFBERN Cc1c(C(=O)N2C[C@H](C)OCC23CCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844918028 1279338799 /nfs/dbraw/zinc/33/87/99/1279338799.db2.gz QPOAAZDLFAMYIU-JTQLQIEISA-N 0 0 349.343 2.595 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000844918328 1279338981 /nfs/dbraw/zinc/33/89/81/1279338981.db2.gz SXCFYVMFPWBJOU-SNVBAGLBSA-N 0 0 349.343 2.595 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C2(CCC2)CO1 ZINC000844922145 1279341345 /nfs/dbraw/zinc/34/13/45/1279341345.db2.gz LWMCNQQNWMZKOT-SECBINFHSA-N 0 0 326.299 2.657 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC2(C)C)cc1[N+](=O)[O-] ZINC000793048540 1279341930 /nfs/dbraw/zinc/34/19/30/1279341930.db2.gz JJBXTZLOGMVQCX-UHFFFAOYSA-N 0 0 333.388 2.842 10 5 EFBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844974755 1279368485 /nfs/dbraw/zinc/36/84/85/1279368485.db2.gz GQYVVXSCHUASID-BETUJISGSA-N 0 0 345.305 2.994 10 5 EFBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000845017365 1279396152 /nfs/dbraw/zinc/39/61/52/1279396152.db2.gz DWSFHYHVWNILTH-CYBMUJFWSA-N 0 0 340.351 2.926 10 5 EFBERN C[C@@H]1C[C@@H](C)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000795192428 1287340639 /nfs/dbraw/zinc/34/06/39/1287340639.db2.gz BIQAXCYDRZSPSD-HTQZYQBOSA-N 0 0 338.307 2.875 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[C@H](C)n2cccc2)c1 ZINC000845111132 1279441981 /nfs/dbraw/zinc/44/19/81/1279441981.db2.gz HWNCREQLLXSFGY-LBPRGKRZSA-N 0 0 346.339 2.877 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C2CCSCC2)c1 ZINC000845117705 1279443988 /nfs/dbraw/zinc/44/39/88/1279443988.db2.gz VVKWTNOLGRENTA-UHFFFAOYSA-N 0 0 339.369 2.568 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)c2c[nH]nc2C(C)C)c1 ZINC000845094057 1279449896 /nfs/dbraw/zinc/44/98/96/1279449896.db2.gz KNWSLYMLTVVSNN-UHFFFAOYSA-N 0 0 347.327 2.585 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)C2(F)F ZINC000845095399 1279450405 /nfs/dbraw/zinc/45/04/05/1279450405.db2.gz AYDWRVLVONMLTC-PHIMTYICSA-N 0 0 345.733 2.697 10 5 EFBERN CCC(C)(C)OCC(=O)OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000845172651 1279474015 /nfs/dbraw/zinc/47/40/15/1279474015.db2.gz HQTDSAFYMJDWCT-UHFFFAOYSA-N 0 0 339.344 2.630 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000845178451 1279474843 /nfs/dbraw/zinc/47/48/43/1279474843.db2.gz SECPPZPPKAZSON-UHTWSYAYSA-N 0 0 333.340 2.861 10 5 EFBERN COC(=O)c1ccc(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000793391680 1279623732 /nfs/dbraw/zinc/62/37/32/1279623732.db2.gz RQDPKCQMDZEOSM-LLVKDONJSA-N 0 0 344.323 2.623 10 5 EFBERN CN(C)C(=O)C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845460677 1279648156 /nfs/dbraw/zinc/64/81/56/1279648156.db2.gz AFYFJWDUWKSJHW-UHFFFAOYSA-N 0 0 329.759 2.692 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OC[C@H]2C[C@@H]2C)c1 ZINC000845454087 1279669786 /nfs/dbraw/zinc/66/97/86/1279669786.db2.gz XGJBKOXBUJDDTQ-XHDPSFHLSA-N 0 0 329.356 2.961 10 5 EFBERN COc1ccc(C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)nc1 ZINC000845583217 1279728916 /nfs/dbraw/zinc/72/89/16/1279728916.db2.gz UADFKLLSTPKHKU-UHFFFAOYSA-N 0 0 328.372 2.965 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001175301179 1287370798 /nfs/dbraw/zinc/37/07/98/1287370798.db2.gz OAHLIGBHKFXACP-RSQPEXBXSA-N 0 0 332.360 2.546 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCn3c(CC4CC4)nnc3C2)c(Cl)c1 ZINC000845637428 1279751589 /nfs/dbraw/zinc/75/15/89/1279751589.db2.gz DYLKDIPEERZJNE-UHFFFAOYSA-N 0 0 333.779 2.812 10 5 EFBERN COC(=O)[C@H](CNc1cc(OC)cc(F)c1[N+](=O)[O-])CC1CC1 ZINC000845680776 1279765295 /nfs/dbraw/zinc/76/52/95/1279765295.db2.gz OGGYLOXCHYMKIW-JTQLQIEISA-N 0 0 326.324 2.744 10 5 EFBERN CNC(=O)c1ccc(N[C@@H](C)[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000845655853 1279770649 /nfs/dbraw/zinc/77/06/49/1279770649.db2.gz KFZBOBNGZKIGFB-KPZWWZAWSA-N 0 0 343.383 2.663 10 5 EFBERN CCOC(=O)c1ccnc(N2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000845743608 1279811984 /nfs/dbraw/zinc/81/19/84/1279811984.db2.gz WWKJRIXIFIPTTF-CQSZACIVSA-N 0 0 341.314 2.792 10 5 EFBERN COC(=O)Cc1ccc(N2CCC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000845744049 1279812502 /nfs/dbraw/zinc/81/25/02/1279812502.db2.gz QLFBZVQFAHEPAF-HNNXBMFYSA-N 0 0 340.326 2.936 10 5 EFBERN O=c1[nH]cnc2cc(N3CCC[C@]4(CC4(F)F)C3)c([N+](=O)[O-])cc12 ZINC000845744554 1279812627 /nfs/dbraw/zinc/81/26/27/1279812627.db2.gz QZRGDQZNKPOKCV-AWEZNQCLSA-N 0 0 336.298 2.869 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000845765085 1279824248 /nfs/dbraw/zinc/82/42/48/1279824248.db2.gz LMABAELMZBPOAH-MBNYWOFBSA-N 0 0 329.356 2.924 10 5 EFBERN C[C@H]([C@H](OC(=O)CCOCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881133 1279905344 /nfs/dbraw/zinc/90/53/44/1279905344.db2.gz YDWJDMXQXXIZMM-BZNIZROVSA-N 0 0 325.336 2.892 10 5 EFBERN COc1c(C(=O)Nc2cccc3c2OCC[C@H]3O)cccc1[N+](=O)[O-] ZINC000793831712 1279910799 /nfs/dbraw/zinc/91/07/99/1279910799.db2.gz XXDYWDMTRWOHHQ-CQSZACIVSA-N 0 0 344.323 2.672 10 5 EFBERN C/C(=C\C(=O)NCc1nnc(C2CC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000793869771 1279926443 /nfs/dbraw/zinc/92/64/43/1279926443.db2.gz PILBGWUGAMJTCN-CSKARUKUSA-N 0 0 328.328 2.575 10 5 EFBERN COCc1ccc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000815218637 1287386416 /nfs/dbraw/zinc/38/64/16/1287386416.db2.gz GARMAAJOELKLTN-UHFFFAOYSA-N 0 0 334.303 2.820 10 5 EFBERN CCOC(=O)[C@H](C)COC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000747163000 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EFBERN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000846319838 1280113843 /nfs/dbraw/zinc/11/38/43/1280113843.db2.gz RDGBYLWLLFGNGK-KRWDZBQOSA-N 0 0 344.346 2.515 10 5 EFBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001144800537 1280140436 /nfs/dbraw/zinc/14/04/36/1280140436.db2.gz ZPVKPUAZGFXMEH-ABAIWWIYSA-N 0 0 345.399 2.857 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c1[N+](=O)[O-] ZINC000846401886 1280145097 /nfs/dbraw/zinc/14/50/97/1280145097.db2.gz CUKZCYHMSAEFPV-OLZOCXBDSA-N 0 0 332.763 2.876 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)[C@](C)(O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000846408268 1280155135 /nfs/dbraw/zinc/15/51/35/1280155135.db2.gz KPYAQASKJAGYRV-UGSOOPFHSA-N 0 0 328.368 2.929 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000846408756 1280156420 /nfs/dbraw/zinc/15/64/20/1280156420.db2.gz LESVEHXZVHSUQR-SGTLLEGYSA-N 0 0 344.367 2.629 10 5 EFBERN C[C@]1(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@]1(F)Cl ZINC000846412607 1280157353 /nfs/dbraw/zinc/15/73/53/1280157353.db2.gz RHEXCKNDQUEGRD-QWHCGFSZSA-N 0 0 333.722 2.751 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)NCC2OCCCO2)cc1[N+](=O)[O-] ZINC000794372508 1280157933 /nfs/dbraw/zinc/15/79/33/1280157933.db2.gz NXSLYFNZFQKVOY-UHFFFAOYSA-N 0 0 337.376 2.777 10 5 EFBERN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@](C)(O)c1ccccc1 ZINC000846419764 1280160999 /nfs/dbraw/zinc/16/09/99/1280160999.db2.gz KFVJGLIDZWOZLQ-KUHUBIRLSA-N 0 0 342.395 2.940 10 5 EFBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000846423746 1280163712 /nfs/dbraw/zinc/16/37/12/1280163712.db2.gz IXGNBHRTBFXADO-UGSOOPFHSA-N 0 0 328.368 2.550 10 5 EFBERN Cc1ccc(C(=O)N[C@H](C)[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846428192 1280164372 /nfs/dbraw/zinc/16/43/72/1280164372.db2.gz VWVWMTRJTZYIDG-FZKQIMNGSA-N 0 0 328.368 2.929 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](C)[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846428195 1280164614 /nfs/dbraw/zinc/16/46/14/1280164614.db2.gz 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O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CCF)CC1 ZINC000811340381 1284247932 /nfs/dbraw/zinc/24/79/32/1284247932.db2.gz RWOMISQRAVCPGL-UHFFFAOYSA-N 0 0 335.291 2.828 10 5 EFBERN O=C(C[C@@H](O)Cc1ccccc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000811399964 1284286484 /nfs/dbraw/zinc/28/64/84/1284286484.db2.gz UAIQGISGTIOPEM-ZDUSSCGKSA-N 0 0 333.315 2.771 10 5 EFBERN O=C(C[C@@H](O)Cc1ccccc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000811401736 1284287387 /nfs/dbraw/zinc/28/73/87/1284287387.db2.gz NZUALHAAAJTBJL-HNNXBMFYSA-N 0 0 333.315 2.771 10 5 EFBERN CN(Cc1ccns1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001132824939 1284336099 /nfs/dbraw/zinc/33/60/99/1284336099.db2.gz NENQWOZNTQWSOQ-UHFFFAOYSA-N 0 0 325.777 2.906 10 5 EFBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNc1cnn(CCO)c1 ZINC000811485178 1284342894 /nfs/dbraw/zinc/34/28/94/1284342894.db2.gz BPEDUPBYJABTAS-UHFFFAOYSA-N 0 0 331.159 2.703 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN(C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000811515199 1284392180 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COc1c(O)cccc1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000812446818 1285145826 /nfs/dbraw/zinc/14/58/26/1285145826.db2.gz JZEPEVZFBAORGU-LCYFTJDESA-N 0 0 340.291 2.654 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000812485055 1285199781 /nfs/dbraw/zinc/19/97/81/1285199781.db2.gz UDKPOLHUYNAVBG-SFHVURJKSA-N 0 0 346.358 2.883 10 5 EFBERN Cn1nc2c(c1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCCC2 ZINC000812557188 1285245114 /nfs/dbraw/zinc/24/51/14/1285245114.db2.gz QBWMKURPRJHXQU-UHFFFAOYSA-N 0 0 348.790 2.791 10 5 EFBERN COc1cccc(C(=O)NCc2ncc(Cl)s2)c1[N+](=O)[O-] ZINC001133375189 1285258828 /nfs/dbraw/zinc/25/88/28/1285258828.db2.gz GYIVDWWWQLBLMQ-UHFFFAOYSA-N 0 0 327.749 2.643 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1cncc(C(F)(F)F)c1 ZINC000812576567 1285261392 /nfs/dbraw/zinc/26/13/92/1285261392.db2.gz GXUBSGBLFVSTLE-UHFFFAOYSA-N 0 0 341.245 2.948 10 5 EFBERN Nc1c(C(=O)OCc2cncc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000812590182 1285273863 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ZINC001171461476 1285558758 /nfs/dbraw/zinc/55/87/58/1285558758.db2.gz KDALBOOXGCDDTK-KRWDZBQOSA-N 0 0 331.372 2.684 10 5 EFBERN C[C@@H](COC(=O)c1cccnc1OCc1ccccc1F)[N+](=O)[O-] ZINC000813101636 1285651866 /nfs/dbraw/zinc/65/18/66/1285651866.db2.gz FZMWTEZUOWBHLY-NSHDSACASA-N 0 0 334.303 2.622 10 5 EFBERN C[C@H](COC(=O)CSCc1cc(-c2cccs2)on1)[N+](=O)[O-] ZINC000813104665 1285653528 /nfs/dbraw/zinc/65/35/28/1285653528.db2.gz FRVVERFBZRJHTO-SECBINFHSA-N 0 0 342.398 2.845 10 5 EFBERN CCCc1c(C(=O)OC[C@H](C)[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000813104772 1285653678 /nfs/dbraw/zinc/65/36/78/1285653678.db2.gz HFFCLIXNWYUMRE-NSHDSACASA-N 0 0 335.335 2.786 10 5 EFBERN CCCc1c(C(=O)OC[C@H](C)[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000813102695 1285653865 /nfs/dbraw/zinc/65/38/65/1285653865.db2.gz IWGSNDYYFXZQAW-ZDUSSCGKSA-N 0 0 331.372 2.955 10 5 EFBERN COC[C@H](C)[C@@H](C)C(=O)OCCOc1ccc([N+](=O)[O-])cc1C ZINC000813083198 1285663212 /nfs/dbraw/zinc/66/32/12/1285663212.db2.gz KIVGAJYFPSJWKV-QWHCGFSZSA-N 0 0 325.361 2.744 10 5 EFBERN COC[C@@H](C)[C@@H](C)C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000813087946 1285664489 /nfs/dbraw/zinc/66/44/89/1285664489.db2.gz FEDSJFROLAJZLC-XJKCOSOUSA-N 0 0 336.388 2.635 10 5 EFBERN C[C@H](COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813109320 1285682886 /nfs/dbraw/zinc/68/28/86/1285682886.db2.gz IAMUPBBRDLXANA-JFUSQASVSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@H](COC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)[N+](=O)[O-] ZINC000813110911 1285683056 /nfs/dbraw/zinc/68/30/56/1285683056.db2.gz LUOFWENOACFKSC-GFCCVEGCSA-N 0 0 336.388 2.627 10 5 EFBERN C[C@H](COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)[N+](=O)[O-] ZINC000813112882 1285683588 /nfs/dbraw/zinc/68/35/88/1285683588.db2.gz VQZNSNXMVGACLU-SECBINFHSA-N 0 0 340.282 2.761 10 5 EFBERN COc1ccc(C(=O)CC(C)(C)CC(=O)OC[C@@H](C)[N+](=O)[O-])cc1 ZINC000813114829 1285685022 /nfs/dbraw/zinc/68/50/22/1285685022.db2.gz HNCKBCFDIJSAHQ-GFCCVEGCSA-N 0 0 337.372 2.893 10 5 EFBERN C[C@@H](COC(=O)CCc1cc(F)ccc1Br)[N+](=O)[O-] ZINC000813114718 1285685185 /nfs/dbraw/zinc/68/51/85/1285685185.db2.gz GEXGMYLTUQAFCF-QMMMGPOBSA-N 0 0 334.141 2.729 10 5 EFBERN CCOCC1(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000813174602 1285704887 /nfs/dbraw/zinc/70/48/87/1285704887.db2.gz ZIWCMJUCNZNEAV-INIZCTEOSA-N 0 0 348.399 2.529 10 5 EFBERN C[C@@H](NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001133654643 1285734982 /nfs/dbraw/zinc/73/49/82/1285734982.db2.gz PBFFNHRMAQCXQP-DDTOSNHZSA-N 0 0 349.387 2.685 10 5 EFBERN C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001133654435 1285735201 /nfs/dbraw/zinc/73/52/01/1285735201.db2.gz JDBVBQOCXIEJST-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN COC(=O)c1cccc(CC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001133655035 1285736190 /nfs/dbraw/zinc/73/61/90/1285736190.db2.gz XOXGRQIEKVPYSV-GFCCVEGCSA-N 0 0 342.351 2.801 10 5 EFBERN C[C@H](NC(=O)c1ccccc1-n1ccnn1)c1ccc([N+](=O)[O-])cc1 ZINC001133706208 1285809358 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EFBERN CCCCCNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001135610485 1288178445 /nfs/dbraw/zinc/17/84/45/1288178445.db2.gz VZTXHNYWBYUWQU-UHFFFAOYSA-N 0 0 330.182 2.860 10 5 EFBERN O=C(N[C@H]1CCSc2ccccc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001135616029 1288185705 /nfs/dbraw/zinc/18/57/05/1288185705.db2.gz SDEOTXZEMYBSLJ-GOEBONIOSA-N 0 0 344.392 2.982 10 5 EFBERN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001135633610 1288212270 /nfs/dbraw/zinc/21/22/70/1288212270.db2.gz BSJQXHMFCVEBSL-LLVKDONJSA-N 0 0 346.314 2.646 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001649145763 1288234676 /nfs/dbraw/zinc/23/46/76/1288234676.db2.gz NTQKRFJWUZRGHN-QMMMGPOBSA-N 0 0 348.758 2.905 10 5 EFBERN Cc1ccc(NCCCc2nnc[nH]2)c([N+](=O)[O-])c1Br ZINC000811841119 1288275288 /nfs/dbraw/zinc/27/52/88/1288275288.db2.gz PWFUYGFAHCEAFR-UHFFFAOYSA-N 0 0 340.181 2.829 10 5 EFBERN CCc1ccc(C(=O)N[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001177167967 1288279050 /nfs/dbraw/zinc/27/90/50/1288279050.db2.gz YQRKNEXQDSQKEX-UWUNEBHHSA-N 0 0 340.379 2.937 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000817207344 1288472046 /nfs/dbraw/zinc/47/20/46/1288472046.db2.gz ZNVVQZPABNMODZ-UMSGYPCISA-N 0 0 332.356 2.901 10 5 EFBERN O=C(CCOCC1CC1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778797459 1297719847 /nfs/dbraw/zinc/71/98/47/1297719847.db2.gz AVVMSCDOMATDEI-MRXNPFEDSA-N 0 0 334.372 2.533 10 5 EFBERN C[C@H](OC(=O)[C@H]1CC12CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000817239930 1288481535 /nfs/dbraw/zinc/48/15/35/1288481535.db2.gz XZEXTVDENJPPMC-WCBMZHEXSA-N 0 0 338.747 2.919 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CC12CC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000817239745 1288482182 /nfs/dbraw/zinc/48/21/82/1288482182.db2.gz VWXUMOMILUQTAZ-WPRPVWTQSA-N 0 0 338.747 2.919 10 5 EFBERN O=C(OCc1ccc(CO)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000778792818 1297720781 /nfs/dbraw/zinc/72/07/81/1297720781.db2.gz LZXRSCBSTRCDIK-UHFFFAOYSA-N 0 0 326.308 2.925 10 5 EFBERN CCCCO[C@H](C)C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778793118 1297720798 /nfs/dbraw/zinc/72/07/98/1297720798.db2.gz DAUVACCULIZXIX-CZUORRHYSA-N 0 0 336.388 2.922 10 5 EFBERN CCOC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001177587820 1288483446 /nfs/dbraw/zinc/48/34/46/1288483446.db2.gz MXZANVYCACGABI-BXUZGUMPSA-N 0 0 337.376 2.543 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CCF)CC1 ZINC001177680969 1288507298 /nfs/dbraw/zinc/50/72/98/1288507298.db2.gz FCDMQFWTIRKBTQ-UHFFFAOYSA-N 0 0 334.351 2.660 10 5 EFBERN COCC(C)(C)CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177681219 1288507311 /nfs/dbraw/zinc/50/73/11/1288507311.db2.gz KASOXPCXDHZHEV-UHFFFAOYSA-N 0 0 348.403 2.583 10 5 EFBERN CC1(C)OCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852198813 1299593071 /nfs/dbraw/zinc/59/30/71/1299593071.db2.gz ARTBWCUAZOWLMF-NSHDSACASA-N 0 0 341.795 2.863 10 5 EFBERN C/C(=C\C(=O)N1CC[C@H](O)C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000817583232 1288663534 /nfs/dbraw/zinc/66/35/34/1288663534.db2.gz VGPWIRSGKPZYHS-DBTPVHCXSA-N 0 0 330.384 2.904 10 5 EFBERN Cc1ccc(CC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000805670392 1288688219 /nfs/dbraw/zinc/68/82/19/1288688219.db2.gz UCKNYNRDHUDNCI-UHFFFAOYSA-N 0 0 348.742 2.920 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCCC3)nc2)n1 ZINC001135966787 1288690594 /nfs/dbraw/zinc/69/05/94/1288690594.db2.gz HVXRGWNORYBVKC-UHFFFAOYSA-N 0 0 327.344 2.546 10 5 EFBERN Cc1c(NC(=O)[C@H](C)OC(=O)/C=C\[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000821433789 1288714446 /nfs/dbraw/zinc/71/44/46/1288714446.db2.gz HIUKLVKUYQTSFL-MYSQMOAQSA-N 0 0 348.355 2.509 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc2[nH]c(=O)oc21 ZINC000821451416 1288721398 /nfs/dbraw/zinc/72/13/98/1288721398.db2.gz XGKYLXSREKLONX-UHFFFAOYSA-N 0 0 342.311 2.806 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2[nH]ccc2c1C ZINC001178673469 1288860707 /nfs/dbraw/zinc/86/07/07/1288860707.db2.gz QZDACRRFNGDXTR-UHFFFAOYSA-N 0 0 326.312 2.992 10 5 EFBERN CCc1ccc(C(=O)NC2(c3ncon3)CCCC2)cc1[N+](=O)[O-] ZINC001178695065 1288874823 /nfs/dbraw/zinc/87/48/23/1288874823.db2.gz FAHLSDHKARLALR-UHFFFAOYSA-N 0 0 330.344 2.740 10 5 EFBERN COc1ccc(CC(=O)Nc2ccc3ncn(C)c3c2)cc1[N+](=O)[O-] ZINC001178831750 1288934378 /nfs/dbraw/zinc/93/43/78/1288934378.db2.gz GPPXFLZXSSCTQU-UHFFFAOYSA-N 0 0 340.339 2.671 10 5 EFBERN CCCc1n[nH]c(C(=O)NC[C@H]2CC(C)(C)OC2(C)C)c1[N+](=O)[O-] ZINC001178937769 1288978003 /nfs/dbraw/zinc/97/80/03/1288978003.db2.gz WHVLPEMZGJFUGW-SNVBAGLBSA-N 0 0 338.408 2.594 10 5 EFBERN C[C@@H]1C[C@]1(C(=O)NCCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000867032488 1288978081 /nfs/dbraw/zinc/97/80/81/1288978081.db2.gz PTPCUYSZWPUOSR-XIKOKIGWSA-N 0 0 348.399 2.621 10 5 EFBERN O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC001178947647 1288995878 /nfs/dbraw/zinc/99/58/78/1288995878.db2.gz DQBATADQZMEXAB-ZBFHGGJFSA-N 0 0 330.315 2.512 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](CCO)C1CCCC1 ZINC001179018178 1289005714 /nfs/dbraw/zinc/00/57/14/1289005714.db2.gz XWWWYXIHZGEAAV-AWEZNQCLSA-N 0 0 340.807 2.848 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2CCCC3(CCC3)O2)cc(F)cc1[N+](=O)[O-] ZINC001179552506 1289187373 /nfs/dbraw/zinc/18/73/73/1289187373.db2.gz PMTMXQUUTWUMTH-NSHDSACASA-N 0 0 337.351 2.538 10 5 EFBERN CCC[C@@H](O)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001179584554 1289203000 /nfs/dbraw/zinc/20/30/00/1289203000.db2.gz YFQBNWDAJQCUIO-SNVBAGLBSA-N 0 0 342.417 2.606 10 5 EFBERN CC(C)(CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000823074548 1289203848 /nfs/dbraw/zinc/20/38/48/1289203848.db2.gz ANCDHXFFDFNEAH-ZDUSSCGKSA-N 0 0 334.372 2.914 10 5 EFBERN O=C(NCCO[C@@H]1CC1(F)F)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823254130 1289250037 /nfs/dbraw/zinc/25/00/37/1289250037.db2.gz SPTYOULZVRIEKA-SECBINFHSA-N 0 0 335.694 2.794 10 5 EFBERN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000823254567 1289250108 /nfs/dbraw/zinc/25/01/08/1289250108.db2.gz YLQNWBMUIFCVBI-SNVBAGLBSA-N 0 0 326.784 2.806 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1C[C@@H](O)C12CCC2 ZINC000823252740 1289250183 /nfs/dbraw/zinc/25/01/83/1289250183.db2.gz FTCJOSALAZMHPL-WDEREUQCSA-N 0 0 325.752 2.673 10 5 EFBERN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)C1O ZINC000823254521 1289250349 /nfs/dbraw/zinc/25/03/49/1289250349.db2.gz XTHVRSDRSDJHLT-IUCAKERBSA-N 0 0 327.768 2.729 10 5 EFBERN C[C@]12COC[C@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C2 ZINC000823254545 1289250564 /nfs/dbraw/zinc/25/05/64/1289250564.db2.gz XYCNWXYEFRDTTC-OTYXRUKQSA-N 0 0 325.752 2.748 10 5 EFBERN Cc1ccc(-c2nc([C@@H](N)CC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000823401744 1289292656 /nfs/dbraw/zinc/29/26/56/1289292656.db2.gz HISNPAHXJMEWEM-NSHDSACASA-N 0 0 348.359 2.685 10 5 EFBERN CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000872743264 1289352206 /nfs/dbraw/zinc/35/22/06/1289352206.db2.gz DBVCZWYHBNOAKZ-YVEFUNNKSA-N 0 0 348.403 2.683 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](C(F)(F)F)CC1 ZINC000872749194 1289357494 /nfs/dbraw/zinc/35/74/94/1289357494.db2.gz DTHGXZQFBKINPV-ZDUSSCGKSA-N 0 0 332.278 2.955 10 5 EFBERN CC(C)OCc1noc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)n1 ZINC001165925522 1312705474 /nfs/dbraw/zinc/70/54/74/1312705474.db2.gz JWJLOFRUTOGGNO-UHFFFAOYSA-N 0 0 343.343 2.815 10 5 EFBERN COC(=O)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC001180201097 1289441679 /nfs/dbraw/zinc/44/16/79/1289441679.db2.gz QDRUXVKYRRRAEM-AWEZNQCLSA-N 0 0 334.372 2.694 10 5 EFBERN Nc1ccc(NC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000823915656 1289480918 /nfs/dbraw/zinc/48/09/18/1289480918.db2.gz WSGMAWVBRZERON-CALCHBBNSA-N 0 0 346.387 2.602 10 5 EFBERN Nc1ccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000823951088 1289487914 /nfs/dbraw/zinc/48/79/14/1289487914.db2.gz PALNOXFMGPWBQQ-MRVPVSSYSA-N 0 0 332.282 2.983 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000825640909 1289488417 /nfs/dbraw/zinc/48/84/17/1289488417.db2.gz NTCAHIVREKMCKL-WBVHZDCISA-N 0 0 341.367 2.692 10 5 EFBERN Nc1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000823972994 1289503079 /nfs/dbraw/zinc/50/30/79/1289503079.db2.gz CZLVFQUUBSNVRU-OAHLLOKOSA-N 0 0 327.344 2.845 10 5 EFBERN Nc1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000823972993 1289503533 /nfs/dbraw/zinc/50/35/33/1289503533.db2.gz CZLVFQUUBSNVRU-HNNXBMFYSA-N 0 0 327.344 2.845 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn2cccc(Cl)c12 ZINC001136811302 1289516789 /nfs/dbraw/zinc/51/67/89/1289516789.db2.gz CCCZLDZSJAZOGC-UHFFFAOYSA-N 0 0 330.731 2.826 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cn(CC2CC2)nn1 ZINC000824018657 1289525445 /nfs/dbraw/zinc/52/54/45/1289525445.db2.gz VBAVNYHVQRNCRE-UHFFFAOYSA-N 0 0 349.778 2.522 10 5 EFBERN C[C@H](NC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000873026702 1289528516 /nfs/dbraw/zinc/52/85/16/1289528516.db2.gz NBZMPHVXRURMHU-MZGVZZPPSA-N 0 0 333.388 2.913 10 5 EFBERN Nc1c(C(=O)Nc2ccnn2C2CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001180480995 1289534001 /nfs/dbraw/zinc/53/40/01/1289534001.db2.gz QHKJCQWTEYKSMY-UHFFFAOYSA-N 0 0 339.714 2.753 10 5 EFBERN O=C(OCOc1cc([N+](=O)[O-])ccc1Br)N1CCCC1 ZINC001166005911 1312717340 /nfs/dbraw/zinc/71/73/40/1312717340.db2.gz XQIXXKFOVXEZBU-UHFFFAOYSA-N 0 0 345.149 2.926 10 5 EFBERN CC(C)(C)OC(=O)NC1(CC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000824251662 1289589483 /nfs/dbraw/zinc/58/94/83/1289589483.db2.gz SSMVBQBZWLPERT-UHFFFAOYSA-N 0 0 349.387 2.658 10 5 EFBERN CC[C@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001136854777 1289605547 /nfs/dbraw/zinc/60/55/47/1289605547.db2.gz KCQKQDSIIJNOGP-WDEREUQCSA-N 0 0 326.418 2.844 10 5 EFBERN Cc1cc(C)c(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001166038340 1312721855 /nfs/dbraw/zinc/72/18/55/1312721855.db2.gz GQPHQYHNMHMMPH-UHFFFAOYSA-N 0 0 340.339 2.780 10 5 EFBERN CC(C)(C(=O)O[C@H]1CCOC2(CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000873581326 1289942499 /nfs/dbraw/zinc/94/24/99/1289942499.db2.gz OGOGMNVUYBUFFU-ZDUSSCGKSA-N 0 0 337.376 2.561 10 5 EFBERN COc1ccccc1[C@H](O)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817547750 1289956342 /nfs/dbraw/zinc/95/63/42/1289956342.db2.gz HJGIMTCGMNEHDV-MRXNPFEDSA-N 0 0 344.367 2.684 10 5 EFBERN C/C(=C\C(=O)NCc1cnn2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000803517414 1312747005 /nfs/dbraw/zinc/74/70/05/1312747005.db2.gz IABLRNGMOXYDMR-JLHYYAGUSA-N 0 0 336.351 2.962 10 5 EFBERN Cc1nn(CC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001166288144 1312756021 /nfs/dbraw/zinc/75/60/21/1312756021.db2.gz RRAFSAQNTJOHTR-UHFFFAOYSA-N 0 0 338.161 2.674 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C1([C@H]2CCCCO2)CCC1 ZINC000867032657 1290236856 /nfs/dbraw/zinc/23/68/56/1290236856.db2.gz UBYZACLCXNGAIT-MRXNPFEDSA-N 0 0 332.400 2.993 10 5 EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001166376636 1312768808 /nfs/dbraw/zinc/76/88/08/1312768808.db2.gz FLNBIBXLLWGIBA-UHFFFAOYSA-N 0 0 336.325 2.618 10 5 EFBERN CCOc1ccc(C(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000247363799 1290331735 /nfs/dbraw/zinc/33/17/35/1290331735.db2.gz MTIRAWLZHPKEMX-KCPJHIHWSA-N 0 0 335.356 2.964 10 5 EFBERN COC[C@H](C)OC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000867034292 1290427145 /nfs/dbraw/zinc/42/71/45/1290427145.db2.gz OFCURKPSTPFDPC-GWCFXTLKSA-N 0 0 326.374 2.814 10 5 EFBERN COc1ccc2c(c1)C(=O)N(Cc1ccc(C)c([N+](=O)[O-])c1)C2=O ZINC001166480616 1312781714 /nfs/dbraw/zinc/78/17/14/1312781714.db2.gz LKHHNOYACDELOE-UHFFFAOYSA-N 0 0 326.308 2.708 10 5 EFBERN CN(CCNc1cc(F)c([N+](=O)[O-])cc1CO)C(=O)OC(C)(C)C ZINC001185180333 1290610341 /nfs/dbraw/zinc/61/03/41/1290610341.db2.gz MOEPOYBIRHFIFW-UHFFFAOYSA-N 0 0 343.355 2.505 10 5 EFBERN CCc1[nH]nc(C(=O)OCCc2cccc(F)c2F)c1[N+](=O)[O-] ZINC000795611158 1290649431 /nfs/dbraw/zinc/64/94/31/1290649431.db2.gz FTKSSDRHPAONRV-UHFFFAOYSA-N 0 0 325.271 2.558 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCc2ccc(Cl)cc2OC)n1 ZINC000795625216 1290666961 /nfs/dbraw/zinc/66/69/61/1290666961.db2.gz TVUWSGTVNWCKBN-UHFFFAOYSA-N 0 0 339.735 2.830 10 5 EFBERN CC(=O)c1ccc(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001185839097 1290769954 /nfs/dbraw/zinc/76/99/54/1290769954.db2.gz ZKSRTTFTAQPUAX-UHFFFAOYSA-N 0 0 327.340 2.551 10 5 EFBERN CCC[C@H]1CN(c2cc(C)sc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC001185848637 1290778505 /nfs/dbraw/zinc/77/85/05/1290778505.db2.gz PHNPIGSEBOWOOX-ZDUSSCGKSA-N 0 0 327.450 2.902 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N(C)CC3(O)CCCC3)c2c1 ZINC001185888343 1290781594 /nfs/dbraw/zinc/78/15/94/1290781594.db2.gz HHDISQGJORYPSN-UHFFFAOYSA-N 0 0 331.372 2.893 10 5 EFBERN O=c1[nH]ccc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC001185948099 1290788741 /nfs/dbraw/zinc/78/87/41/1290788741.db2.gz FDSXYYCTPUORDF-UHFFFAOYSA-N 0 0 338.707 2.912 10 5 EFBERN Cc1c(CC(=O)N2NC(=O)C[C@@]23CCCC[C@H]3C)cccc1[N+](=O)[O-] ZINC001166642252 1312809793 /nfs/dbraw/zinc/80/97/93/1312809793.db2.gz AQXRHUDLPSOBLF-KZULUSFZSA-N 0 0 345.399 2.658 10 5 EFBERN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1cnccn1 ZINC000092591036 1290791770 /nfs/dbraw/zinc/79/17/70/1290791770.db2.gz BEAZIOSTMFODQM-UHFFFAOYSA-N 0 0 337.177 2.779 10 5 EFBERN Cc1nnc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1C1CC1 ZINC000774988435 1290898281 /nfs/dbraw/zinc/89/82/81/1290898281.db2.gz JRPOXGAWCABJAE-UHFFFAOYSA-N 0 0 336.735 2.840 10 5 EFBERN O=C(Cn1ccnc1[N+](=O)[O-])N(Cc1ccco1)c1ccccc1 ZINC001166681949 1312818699 /nfs/dbraw/zinc/81/86/99/1312818699.db2.gz DIRSMDDGJULOLA-UHFFFAOYSA-N 0 0 326.312 2.618 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2ncc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC001186500745 1290963300 /nfs/dbraw/zinc/96/33/00/1290963300.db2.gz WPBOVBPPDZGMBH-UHFFFAOYSA-N 0 0 343.221 2.924 10 5 EFBERN CC[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001186509140 1290968982 /nfs/dbraw/zinc/96/89/82/1290968982.db2.gz CWKRKXKAFRQYMI-NSHDSACASA-N 0 0 349.391 2.958 10 5 EFBERN CN(C[C@@](C)(O)c1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001186772483 1291017400 /nfs/dbraw/zinc/01/74/00/1291017400.db2.gz LIBRMIHYNCVGPL-QGZVFWFLSA-N 0 0 326.356 2.815 10 5 EFBERN Cn1ncnc1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001186814474 1291022140 /nfs/dbraw/zinc/02/21/40/1291022140.db2.gz KADYYSNMNHSSDL-UHFFFAOYSA-N 0 0 338.371 2.830 10 5 EFBERN COc1ccc(OC(F)F)c(NCc2cn(C)nc2[N+](=O)[O-])c1 ZINC000876843914 1291046429 /nfs/dbraw/zinc/04/64/29/1291046429.db2.gz TYMXUAPORZFFOP-UHFFFAOYSA-N 0 0 328.275 2.550 10 5 EFBERN COc1ccc(NCc2cn(C)nc2[N+](=O)[O-])c(Br)c1 ZINC000876872218 1291054042 /nfs/dbraw/zinc/05/40/42/1291054042.db2.gz AFIXBGVGQHUEAT-UHFFFAOYSA-N 0 0 341.165 2.712 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCO[C@@H]2CC2(F)F)cc1C ZINC001186966816 1291062450 /nfs/dbraw/zinc/06/24/50/1291062450.db2.gz ZTMKFJUMGBDRLO-CYBMUJFWSA-N 0 0 344.314 2.916 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](C2CCC2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC001187183322 1291117180 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2.589 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1 ZINC001187880316 1291261780 /nfs/dbraw/zinc/26/17/80/1291261780.db2.gz DEMSVMHCIUDZFR-HAQNSBGRSA-N 0 0 329.360 2.932 10 5 EFBERN CCOC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877839146 1291401494 /nfs/dbraw/zinc/40/14/94/1291401494.db2.gz AGJDEMMGCPEMBV-VXGBXAGGSA-N 0 0 346.305 2.768 10 5 EFBERN Cc1cnc(OCc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000877890324 1291406307 /nfs/dbraw/zinc/40/63/07/1291406307.db2.gz YCWIIKOCRPBZIG-UHFFFAOYSA-N 0 0 329.356 2.714 10 5 EFBERN COc1ccc(C)cc1C(=O)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001188854630 1291496192 /nfs/dbraw/zinc/49/61/92/1291496192.db2.gz ULOIKEKYURUPFE-UHFFFAOYSA-N 0 0 340.339 2.848 10 5 EFBERN COC(=O)c1ccc(C(=O)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)o1 ZINC001188969607 1291531870 /nfs/dbraw/zinc/53/18/70/1291531870.db2.gz CYCGGHJPKNCPSV-UHFFFAOYSA-N 0 0 343.295 2.515 10 5 EFBERN O=[N+]([O-])c1ccc(CSc2nc(CO)cs2)c([N+](=O)[O-])c1 ZINC001166891468 1312862134 /nfs/dbraw/zinc/86/21/34/1312862134.db2.gz MJCNRNHAYOIQQT-UHFFFAOYSA-N 0 0 327.343 2.744 10 5 EFBERN Cc1ccc(Cn2c(=O)sc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC001189113370 1291571851 /nfs/dbraw/zinc/57/18/51/1291571851.db2.gz YWHXPRGKBUOESA-UHFFFAOYSA-N 0 0 328.349 2.688 10 5 EFBERN O=C(C[C@@H]1C[C@H]1C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000878252928 1291583297 /nfs/dbraw/zinc/58/32/97/1291583297.db2.gz ZHHZAHSCPMTVDJ-YOEHRIQHSA-N 0 0 329.400 2.680 10 5 EFBERN Cc1ncc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC001166919079 1312867359 /nfs/dbraw/zinc/86/73/59/1312867359.db2.gz SXQUOPPQWYAOIG-UHFFFAOYSA-N 0 0 325.321 2.902 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001189255066 1291637320 /nfs/dbraw/zinc/63/73/20/1291637320.db2.gz BKZGBFYUECZPQQ-UHFFFAOYSA-N 0 0 333.231 2.598 10 5 EFBERN Cc1nc2ccccc2nc1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC001189381488 1291692110 /nfs/dbraw/zinc/69/21/10/1291692110.db2.gz QOGIYAKIWQUXRU-UHFFFAOYSA-N 0 0 328.357 2.511 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cn(C(C)C)nn1 ZINC000796029698 1291888455 /nfs/dbraw/zinc/88/84/55/1291888455.db2.gz OSCGNQTZVVTZTC-UHFFFAOYSA-N 0 0 334.332 2.523 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1ccc2cc[nH]c2c1 ZINC000796059719 1291914103 /nfs/dbraw/zinc/91/41/03/1291914103.db2.gz WOBMESRRGIPCOY-UHFFFAOYSA-N 0 0 336.300 2.983 10 5 EFBERN COC(=O)c1nn(CCSc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC001189995956 1291961109 /nfs/dbraw/zinc/96/11/09/1291961109.db2.gz ZNTKYKYONYKNEJ-UHFFFAOYSA-N 0 0 343.311 2.648 10 5 EFBERN COC(=O)c1cc2ccccc2cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000796137007 1292017426 /nfs/dbraw/zinc/01/74/26/1292017426.db2.gz BUKIYNLXZKZXKR-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN Cc1c(Br)ccc(OCOC(=O)C2CC2)c1[N+](=O)[O-] ZINC001190193246 1292026797 /nfs/dbraw/zinc/02/67/97/1292026797.db2.gz NBTMFYFZWVFUHQ-UHFFFAOYSA-N 0 0 330.134 2.955 10 5 EFBERN Cc1ccc(COC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1[N+](=O)[O-] ZINC001273595163 1292034870 /nfs/dbraw/zinc/03/48/70/1292034870.db2.gz ZSYJHRNMNUHZCX-MRXNPFEDSA-N 0 0 341.319 2.728 10 5 EFBERN Cc1nccnc1Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001190176290 1292043508 /nfs/dbraw/zinc/04/35/08/1292043508.db2.gz CIUWTQQLUAVXBW-UHFFFAOYSA-N 0 0 330.735 2.653 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1cnc(C)o1 ZINC001190220233 1292050748 /nfs/dbraw/zinc/05/07/48/1292050748.db2.gz ODPPSSSXZNWBKM-UHFFFAOYSA-N 0 0 337.357 2.772 10 5 EFBERN CC(C)(CCC(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1)[N+](=O)[O-] ZINC000826108633 1292112270 /nfs/dbraw/zinc/11/22/70/1292112270.db2.gz FONLJUVLHPBDFP-GFCCVEGCSA-N 0 0 336.392 2.836 10 5 EFBERN C[C@@H](OC(=O)CCC(=O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000796155240 1292128817 /nfs/dbraw/zinc/12/88/17/1292128817.db2.gz BMMSBPWSUXKFNO-LLVKDONJSA-N 0 0 331.328 2.596 10 5 EFBERN CN(C[C@@H]1CC1(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880777997 1292633158 /nfs/dbraw/zinc/63/31/58/1292633158.db2.gz XBVHNCAZYXRIOG-NSHDSACASA-N 0 0 334.372 2.874 10 5 EFBERN CC(C)c1[nH]nc(C(=O)OCC(=O)[C@H]2Cc3ccccc32)c1[N+](=O)[O-] ZINC000796258972 1292662167 /nfs/dbraw/zinc/66/21/67/1292662167.db2.gz GSFGGNRLDVJCFO-LBPRGKRZSA-N 0 0 343.339 2.507 10 5 EFBERN Cc1cccc(NC(=O)COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000796258490 1292662814 /nfs/dbraw/zinc/66/28/14/1292662814.db2.gz UISIKQZEQFQBQT-UHFFFAOYSA-N 0 0 346.343 2.545 10 5 EFBERN CC[S@](=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000775491052 1292702568 /nfs/dbraw/zinc/70/25/68/1292702568.db2.gz ZLZDCAXHFWCFGS-QFIPXVFZSA-N 0 0 344.458 2.594 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](c2ccnn2C)C1 ZINC000881828737 1293020869 /nfs/dbraw/zinc/02/08/69/1293020869.db2.gz BCNUXZGPXIGPPQ-ZDUSSCGKSA-N 0 0 328.372 2.915 10 5 EFBERN CC(=O)CCCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881861537 1293034064 /nfs/dbraw/zinc/03/40/64/1293034064.db2.gz AEYSXALXIMNSGD-UHFFFAOYSA-N 0 0 343.177 2.733 10 5 EFBERN COC[C@@H](C)CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863516 1293034452 /nfs/dbraw/zinc/03/44/52/1293034452.db2.gz AEIDKNWYYWCDLD-VIFPVBQESA-N 0 0 345.193 2.646 10 5 EFBERN CC[C@@H](N[C@H](C)c1nc(-c2nc[nH]n2)no1)c1cccc([N+](=O)[O-])c1 ZINC001192813945 1293059810 /nfs/dbraw/zinc/05/98/10/1293059810.db2.gz DVKXTALPXWUEKB-BXKDBHETSA-N 0 0 343.347 2.565 10 5 EFBERN COC[C@H]1C[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000882103438 1293100763 /nfs/dbraw/zinc/10/07/63/1293100763.db2.gz SVALGRVVIRJISK-JBLDHEPKSA-N 0 0 342.779 2.557 10 5 EFBERN CC(=O)c1c(N[C@H]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000882110730 1293101834 /nfs/dbraw/zinc/10/18/34/1293101834.db2.gz MPFDCDNCXAFZLP-ZDUSSCGKSA-N 0 0 334.372 2.938 10 5 EFBERN CC(=O)c1ccc(OC[C@@H]2CCC3(CCOCC3)O2)c([N+](=O)[O-])c1 ZINC000882147547 1293111819 /nfs/dbraw/zinc/11/18/19/1293111819.db2.gz NLSRHEHDSVKDEY-AWEZNQCLSA-N 0 0 335.356 2.904 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000882293069 1293151120 /nfs/dbraw/zinc/15/11/20/1293151120.db2.gz NCILEVSXMPDQGI-QGZVFWFLSA-N 0 0 334.372 2.572 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000882349987 1293171680 /nfs/dbraw/zinc/17/16/80/1293171680.db2.gz DDXXQVHAPSGDIF-GHMZBOCLSA-N 0 0 346.305 2.795 10 5 EFBERN CC(=O)c1c(N[C@@H]2CCO[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000882434762 1293200785 /nfs/dbraw/zinc/20/07/85/1293200785.db2.gz KVUWVDNWEYJRCJ-DOMZBBRYSA-N 0 0 344.371 2.863 10 5 EFBERN CC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1noc(C)n1 ZINC001193237789 1293210557 /nfs/dbraw/zinc/21/05/57/1293210557.db2.gz FEMMZIPTIBDXTJ-GFCCVEGCSA-N 0 0 347.375 2.664 10 5 EFBERN O=C(N[C@@H]1CCC[C@]12CCCO2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000882613474 1293265936 /nfs/dbraw/zinc/26/59/36/1293265936.db2.gz UZTHQTZGIZMLEU-WBVHZDCISA-N 0 0 329.356 2.908 10 5 EFBERN CC(=O)c1c(NC[C@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000882629341 1293271416 /nfs/dbraw/zinc/27/14/16/1293271416.db2.gz JDPVZLNBFWBHRG-GFCCVEGCSA-N 0 0 333.388 2.856 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCn2c(nnc2C(C)(C)C)C1 ZINC000882640245 1293275150 /nfs/dbraw/zinc/27/51/50/1293275150.db2.gz YLTPYNYIYGZYFA-UHFFFAOYSA-N 0 0 343.387 2.707 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](O)C(F)(F)C(F)(F)F ZINC000882975651 1293412098 /nfs/dbraw/zinc/41/20/98/1293412098.db2.gz BSSZFMPXEJAPJW-JTQLQIEISA-N 0 0 342.220 2.768 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2conc2C)c1 ZINC001277811545 1313004345 /nfs/dbraw/zinc/00/43/45/1313004345.db2.gz MTUOGFXCSWCHBQ-UHFFFAOYSA-N 0 0 341.327 2.697 10 5 EFBERN C=C/C=C\CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC001194264039 1293575056 /nfs/dbraw/zinc/57/50/56/1293575056.db2.gz AKWJHRZBJBOXAG-PLNGDYQASA-N 0 0 330.793 2.967 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC001626124101 1293747634 /nfs/dbraw/zinc/74/76/34/1293747634.db2.gz RWZYBLRMXNEOTR-LKFCYVNXSA-N 0 0 333.294 2.741 10 5 EFBERN COCc1cnc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000775639472 1293822022 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ZINC001160719623 1311766719 /nfs/dbraw/zinc/76/67/19/1311766719.db2.gz GPCYKTMEMMACGE-UHFFFAOYSA-N 0 0 343.274 2.618 10 5 EFBERN O=C(NCc1cnc(Cl)cn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001160943757 1311816907 /nfs/dbraw/zinc/81/69/07/1311816907.db2.gz SEENGFZDMVNMFL-UHFFFAOYSA-N 0 0 327.127 2.622 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(CCO)c1 ZINC001161619620 1311933133 /nfs/dbraw/zinc/93/31/33/1311933133.db2.gz HUNDSCZGRUCITR-UHFFFAOYSA-N 0 0 330.340 2.537 10 5 EFBERN C[C@@H](NC(=O)NCc1nn(C)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001228606470 1311968973 /nfs/dbraw/zinc/96/89/73/1311968973.db2.gz DWOGAAAAERNYEE-SECBINFHSA-N 0 0 337.767 2.542 10 5 EFBERN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H](OC(F)F)C3)c2)c1 ZINC000802747009 1311985730 /nfs/dbraw/zinc/98/57/30/1311985730.db2.gz CKHLAYVNLCLVHF-AWEZNQCLSA-N 0 0 338.314 2.729 10 5 EFBERN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H](OC(F)F)C3)c2)cc1 ZINC000802746946 1311985759 /nfs/dbraw/zinc/98/57/59/1311985759.db2.gz BFGQXQHTTQVWLC-AWEZNQCLSA-N 0 0 338.314 2.729 10 5 EFBERN Cc1cccc(NCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001161853834 1311987299 /nfs/dbraw/zinc/98/72/99/1311987299.db2.gz AQKGQUBGIPOWQQ-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)/C=C/c1ccccc1F ZINC000802755983 1311991629 /nfs/dbraw/zinc/99/16/29/1311991629.db2.gz ZINXOXCRSVVBKA-CMDGGOBGSA-N 0 0 337.332 2.566 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]([S@](C)=O)C2)cc1Cl ZINC001161877330 1311992387 /nfs/dbraw/zinc/99/23/87/1311992387.db2.gz JYLGLEPLBBEUPG-BNMUBRSASA-N 0 0 344.820 2.586 10 5 EFBERN C/C(=C\C(=O)OCCCc1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000802784504 1312019877 /nfs/dbraw/zinc/01/98/77/1312019877.db2.gz COSXXRGBGPXSAC-OUKQBFOZSA-N 0 0 329.356 2.908 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(c2ccccn2)CC1 ZINC001161984849 1312020966 /nfs/dbraw/zinc/02/09/66/1312020966.db2.gz TVHSYVIQOORZQU-UHFFFAOYSA-N 0 0 335.367 2.865 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2cnn(-c3ccccc3)c2)c(F)c1 ZINC001162062927 1312040040 /nfs/dbraw/zinc/04/00/40/1312040040.db2.gz UMAQMCHVAMXBPC-UHFFFAOYSA-N 0 0 327.319 2.969 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1csnn1 ZINC001162100329 1312048056 /nfs/dbraw/zinc/04/80/56/1312048056.db2.gz MMGFONPPNLJIIY-SSDOTTSWSA-N 0 0 326.765 2.520 10 5 EFBERN COc1cccc(SC)c1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001162141947 1312054939 /nfs/dbraw/zinc/05/49/39/1312054939.db2.gz XZPAXUIQCOBZRB-UHFFFAOYSA-N 0 0 334.357 2.555 10 5 EFBERN CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccn1 ZINC001162342556 1312090908 /nfs/dbraw/zinc/09/09/08/1312090908.db2.gz JDZCCKHFTXGRSZ-LLVKDONJSA-N 0 0 329.312 2.600 10 5 EFBERN CCC(=O)Nc1ccc(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC001162345731 1312091344 /nfs/dbraw/zinc/09/13/44/1312091344.db2.gz XYDLVKMSZCVHMI-UHFFFAOYSA-N 0 0 344.327 2.869 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCCc2cnn(C)c2)cc1C ZINC001162390584 1312097156 /nfs/dbraw/zinc/09/71/56/1312097156.db2.gz VLEZROUACOVLEO-UHFFFAOYSA-N 0 0 346.387 2.858 10 5 EFBERN CC(C)COc1cccc(CCOC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000802882141 1312105022 /nfs/dbraw/zinc/10/50/22/1312105022.db2.gz UUXZMPOWMMOUDU-UHFFFAOYSA-N 0 0 347.371 2.612 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N(C)Cc2cnn(CC)c2)cc1C ZINC001162536810 1312120660 /nfs/dbraw/zinc/12/06/60/1312120660.db2.gz NADYCZMFWMGDAM-UHFFFAOYSA-N 0 0 346.387 2.933 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Oc2ccc(-n3cncn3)cc2)cc1F ZINC001162550304 1312123146 /nfs/dbraw/zinc/12/31/46/1312123146.db2.gz JKDVEWFDKRLHFP-UHFFFAOYSA-N 0 0 330.275 2.599 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(COCCO)cc1 ZINC001162574431 1312127307 /nfs/dbraw/zinc/12/73/07/1312127307.db2.gz JLZMLJHNHKXMCO-UHFFFAOYSA-N 0 0 330.340 2.664 10 5 EFBERN CC(C)(C)Oc1ccccc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001162631651 1312139733 /nfs/dbraw/zinc/13/97/33/1312139733.db2.gz OJWJHTXEIYHSPO-UHFFFAOYSA-N 0 0 344.371 2.878 10 5 EFBERN C[C@@H](C[C@H]1CCOC1)Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001162791373 1312177414 /nfs/dbraw/zinc/17/74/14/1312177414.db2.gz BJSSUMDUFJWUSS-WDEREUQCSA-N 0 0 346.343 2.700 10 5 EFBERN NC(=O)c1[nH]nc2ccc(Nc3ccc4cnccc4c3[N+](=O)[O-])cc21 ZINC001162828248 1312185744 /nfs/dbraw/zinc/18/57/44/1312185744.db2.gz NBBNFSAIDIHDSF-UHFFFAOYSA-N 0 0 348.322 2.862 10 5 EFBERN O=C1CN(c2ccc3cnccc3c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001162832640 1312186803 /nfs/dbraw/zinc/18/68/03/1312186803.db2.gz FKKGCBQEXWOFTC-UHFFFAOYSA-N 0 0 348.362 2.949 10 5 EFBERN Cc1c(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cnn1-c1ccccc1 ZINC001162862496 1312192297 /nfs/dbraw/zinc/19/22/97/1312192297.db2.gz XCQGESVWQYEHNG-UHFFFAOYSA-N 0 0 337.339 2.931 10 5 EFBERN Cn1ccc([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000902911867 1312203828 /nfs/dbraw/zinc/20/38/28/1312203828.db2.gz HGPWUPOULOIOSG-LBPRGKRZSA-N 0 0 329.360 2.740 10 5 EFBERN Cn1ccc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000902915734 1312207456 /nfs/dbraw/zinc/20/74/56/1312207456.db2.gz VWSDQDLLJYPELZ-UHFFFAOYSA-N 0 0 347.350 2.879 10 5 EFBERN O=C(Nc1ccc2c(c1)CCCC2=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001162989153 1312220066 /nfs/dbraw/zinc/22/00/66/1312220066.db2.gz GBDLDDZOWUUSQE-QGZVFWFLSA-N 0 0 340.335 2.786 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(N)=O)c1 ZINC001163021695 1312227610 /nfs/dbraw/zinc/22/76/10/1312227610.db2.gz XLOLZVVYGXSYJQ-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001163061931 1312235338 /nfs/dbraw/zinc/23/53/38/1312235338.db2.gz CSDHQLXNYUWNFB-HNNXBMFYSA-N 0 0 327.340 2.887 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nnc(C(F)F)o1 ZINC001163062105 1312235355 /nfs/dbraw/zinc/23/53/55/1312235355.db2.gz HMYSWCCZMVFEGL-UHFFFAOYSA-N 0 0 341.274 2.528 10 5 EFBERN NC(=O)c1cc(N2CC(Cc3ccc(F)c(F)c3)C2)ccc1[N+](=O)[O-] ZINC001163070544 1312236279 /nfs/dbraw/zinc/23/62/79/1312236279.db2.gz YIXAUZMPILUBCU-UHFFFAOYSA-N 0 0 347.321 2.651 10 5 EFBERN Cc1cnnn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001163131860 1312248171 /nfs/dbraw/zinc/24/81/71/1312248171.db2.gz KSKUTFGHVWIPQM-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN CC[C@@H](NC(=O)NCCc1cc(C)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC001230515607 1312251818 /nfs/dbraw/zinc/25/18/18/1312251818.db2.gz WHMOFTKRKCQTDG-MRXNPFEDSA-N 0 0 345.403 2.630 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H](c3nnc[nH]3)c3ccccc3)nc2c1 ZINC001163295023 1312283793 /nfs/dbraw/zinc/28/37/93/1312283793.db2.gz UVALZPFIYRJUMM-CYBMUJFWSA-N 0 0 349.354 2.833 10 5 EFBERN CS(=O)(=O)c1cccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001163299654 1312284600 /nfs/dbraw/zinc/28/46/00/1312284600.db2.gz WSPCKDCFLPZACN-UHFFFAOYSA-N 0 0 342.323 2.889 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001163363724 1312296630 /nfs/dbraw/zinc/29/66/30/1312296630.db2.gz MEFSPIWHRKBVNA-JTQLQIEISA-N 0 0 336.344 2.717 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnc(Cl)c(F)c1 ZINC000803169260 1312321728 /nfs/dbraw/zinc/32/17/28/1312321728.db2.gz RCWGWWPZPVMIGE-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN COc1cccnc1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001163511532 1312329659 /nfs/dbraw/zinc/32/96/59/1312329659.db2.gz DKVXMBPDHREABP-UHFFFAOYSA-N 0 0 328.303 2.720 10 5 EFBERN Cc1nc(N(C)Cc2ccc3c(c2)OC(F)(F)O3)ncc1[N+](=O)[O-] ZINC001163605232 1312345820 /nfs/dbraw/zinc/34/58/20/1312345820.db2.gz LBYMGUAUVRLKCB-UHFFFAOYSA-N 0 0 338.270 2.651 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1NCCNc1ncccn1 ZINC001163635700 1312351642 /nfs/dbraw/zinc/35/16/42/1312351642.db2.gz GVNXMTXZRQXZDW-UHFFFAOYSA-N 0 0 338.165 2.671 10 5 EFBERN CCC(=O)c1ccc(N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)c([N+](=O)[O-])c1 ZINC001163643906 1312353416 /nfs/dbraw/zinc/35/34/16/1312353416.db2.gz ZZFQWEJYJYEFSQ-LLVKDONJSA-N 0 0 330.344 2.610 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H]1C(F)(F)F ZINC001163702261 1312367127 /nfs/dbraw/zinc/36/71/27/1312367127.db2.gz VPGUSRFNGRECPZ-CYBMUJFWSA-N 0 0 347.293 2.534 10 5 EFBERN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)OC)c1 ZINC001163775248 1312382308 /nfs/dbraw/zinc/38/23/08/1312382308.db2.gz OIPSGXSYSWTARF-INIZCTEOSA-N 0 0 345.355 2.502 10 5 EFBERN Cc1cccc(CN2CCO[C@H](CNc3ncccc3[N+](=O)[O-])C2)c1 ZINC001163938810 1312411368 /nfs/dbraw/zinc/41/13/68/1312411368.db2.gz OTQNKGCYBPRXHI-MRXNPFEDSA-N 0 0 342.399 2.611 10 5 EFBERN C[C@H]1CCCCN1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001163960689 1312414731 /nfs/dbraw/zinc/41/47/31/1312414731.db2.gz OHXHOFWHUBABSS-VIFPVBQESA-N 0 0 342.193 2.877 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC001164009441 1312426710 /nfs/dbraw/zinc/42/67/10/1312426710.db2.gz YOAXODXJJYBHPU-GFCCVEGCSA-N 0 0 326.356 2.937 10 5 EFBERN Nc1cc2n(n1)CCN(c1c3cc(Cl)ccc3ncc1[N+](=O)[O-])C2 ZINC001164039079 1312434507 /nfs/dbraw/zinc/43/45/07/1312434507.db2.gz QQJXMQQNHLBFOO-UHFFFAOYSA-N 0 0 344.762 2.595 10 5 EFBERN C[C@H]1CCCN(c2ccc(C(=O)OCc3cn[nH]c3)cc2[N+](=O)[O-])C1 ZINC000803267589 1312442862 /nfs/dbraw/zinc/44/28/62/1312442862.db2.gz LGZILAZPNWXKDZ-LBPRGKRZSA-N 0 0 344.371 2.911 10 5 EFBERN NC(=O)c1cc(NCc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC001164093387 1312445783 /nfs/dbraw/zinc/44/57/83/1312445783.db2.gz NKFFQHRECKDWQK-UHFFFAOYSA-N 0 0 332.385 2.641 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3cc(C4CC4)no3)cc2N1 ZINC001164108795 1312449516 /nfs/dbraw/zinc/44/95/16/1312449516.db2.gz SKTASGXXVNRCEI-UHFFFAOYSA-N 0 0 328.328 2.957 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC001164114840 1312450570 /nfs/dbraw/zinc/45/05/70/1312450570.db2.gz VMMZKFBXIUQRGO-VXNVDRBHSA-N 0 0 329.150 2.578 10 5 EFBERN Cc1ccc(N[C@H]2CCCN(c3nc(C)cc(=O)[nH]3)C2)c([N+](=O)[O-])c1 ZINC001164131179 1312453904 /nfs/dbraw/zinc/45/39/04/1312453904.db2.gz JQLVGUYZPIRZRG-ZDUSSCGKSA-N 0 0 343.387 2.788 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)Cc1ccccc1F ZINC001164151580 1312457639 /nfs/dbraw/zinc/45/76/39/1312457639.db2.gz BUXWMTXHXYRIQK-LLVKDONJSA-N 0 0 325.727 2.798 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)Cc1ccccc1F ZINC001164151581 1312457823 /nfs/dbraw/zinc/45/78/23/1312457823.db2.gz BUXWMTXHXYRIQK-NSHDSACASA-N 0 0 325.727 2.798 10 5 EFBERN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNc1nc3cc([N+](=O)[O-])ccc3[nH]1)O2 ZINC001164170676 1312460874 /nfs/dbraw/zinc/46/08/74/1312460874.db2.gz SDXMPYMLGOEGPG-JJTUWOBKSA-N 0 0 346.387 2.856 10 5 EFBERN CON(C)C1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001164226811 1312472985 /nfs/dbraw/zinc/47/29/85/1312472985.db2.gz WUNHUZIFIFXQPR-UHFFFAOYSA-N 0 0 341.367 2.508 10 5 EFBERN CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CCS1(=O)=O ZINC001164265415 1312481390 /nfs/dbraw/zinc/48/13/90/1312481390.db2.gz TYBBFYNSUSOHKY-NSHDSACASA-N 0 0 349.412 2.911 10 5 EFBERN COC[C@H](Sc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC001164270642 1312483140 /nfs/dbraw/zinc/48/31/40/1312483140.db2.gz KIVGKYRMIDSGLK-LBPRGKRZSA-N 0 0 333.369 2.569 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC=C(Cl)C1 ZINC001164307530 1312489121 /nfs/dbraw/zinc/48/91/21/1312489121.db2.gz ZGIZMKNIMPSRHJ-UHFFFAOYSA-N 0 0 339.735 2.791 10 5 EFBERN Cc1cc(N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)ccc1[N+](=O)[O-] ZINC001164332895 1312494072 /nfs/dbraw/zinc/49/40/72/1312494072.db2.gz OAZDFIXOQAZKLD-LLVKDONJSA-N 0 0 349.778 2.743 10 5 EFBERN COC(=O)c1ccnc(N(C)[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC001164357951 1312499485 /nfs/dbraw/zinc/49/94/85/1312499485.db2.gz HFAZHXHMXFSJSV-AWEZNQCLSA-N 0 0 341.367 2.770 10 5 EFBERN CN(C[C@]12CCC[C@H]1OCC2)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001164380527 1312505197 /nfs/dbraw/zinc/50/51/97/1312505197.db2.gz WVZQEOHFAONNKO-RHSMWYFYSA-N 0 0 328.372 2.933 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001164383909 1312505965 /nfs/dbraw/zinc/50/59/65/1312505965.db2.gz PXJYYGNWXCVTDO-CMPLNLGQSA-N 0 0 347.371 2.623 10 5 EFBERN CCNc1ccc(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])cn1 ZINC001164395328 1312507400 /nfs/dbraw/zinc/50/74/00/1312507400.db2.gz YVNCIVHBOQDJAL-UHFFFAOYSA-N 0 0 330.344 2.881 10 5 EFBERN Cn1cc(CSc2nccn2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC001164587246 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/nfs/dbraw/zinc/20/38/75/1317203875.db2.gz NHWYPJYQWKPNQP-UHFFFAOYSA-N 0 0 345.403 2.547 10 5 EFBERN CN(CCNC(=O)c1c[nH]cc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001316594808 1317228036 /nfs/dbraw/zinc/22/80/36/1317228036.db2.gz RBJSWKDZZKQRJX-UHFFFAOYSA-N 0 0 328.372 2.667 10 5 EFBERN CC(=O)Nc1ccccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001279794215 1317388286 /nfs/dbraw/zinc/38/82/86/1317388286.db2.gz TVPHTKJUSJEOBU-UHFFFAOYSA-N 0 0 331.303 2.874 10 5 EFBERN COc1ccc(F)c(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001280211700 1317477458 /nfs/dbraw/zinc/47/74/58/1317477458.db2.gz BLUIBSLQWBHMFI-UHFFFAOYSA-N 0 0 348.330 2.746 10 5 EFBERN CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001280285298 1317496961 /nfs/dbraw/zinc/49/69/61/1317496961.db2.gz IQZPZWFBCKHNHM-GXTWGEPZSA-N 0 0 343.387 2.969 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1c(C)noc1C ZINC001319019707 1328765175 /nfs/dbraw/zinc/76/51/75/1328765175.db2.gz BFQMKNQUZUIFFA-UHFFFAOYSA-N 0 0 332.360 2.604 10 5 EFBERN CC(C)N(CCN(C)Cc1csc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001284520316 1320402457 /nfs/dbraw/zinc/40/24/57/1320402457.db2.gz QRISFMSRBNDZMT-UHFFFAOYSA-N 0 0 335.376 2.590 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)n2c3ccccc3c(=O)n2C)cc1Cl ZINC001287884213 1321536897 /nfs/dbraw/zinc/53/68/97/1321536897.db2.gz BVHLXSLMZPTGTK-UHFFFAOYSA-N 0 0 345.742 2.899 10 5 EFBERN Cn1cc(C(F)F)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001287952390 1321557903 /nfs/dbraw/zinc/55/79/03/1321557903.db2.gz JTBWPZICSJOJRH-UHFFFAOYSA-N 0 0 344.705 2.849 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1noc2c1COCC2 ZINC001287974641 1321567972 /nfs/dbraw/zinc/56/79/72/1321567972.db2.gz NBXWDMSPSMEZKO-UHFFFAOYSA-N 0 0 332.312 2.629 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cncc(C(F)F)c1 ZINC001288115057 1321599901 /nfs/dbraw/zinc/59/99/01/1321599901.db2.gz JLQMZMODUZIKIO-UHFFFAOYSA-N 0 0 347.281 2.916 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1cccc2[nH]ccc21 ZINC001288187185 1321609302 /nfs/dbraw/zinc/60/93/02/1321609302.db2.gz DOWNSELHRWKXDZ-UHFFFAOYSA-N 0 0 349.350 2.742 10 5 EFBERN Cc1nn(CCC(=O)NCc2cccc3[nH]ccc32)c(C)c1[N+](=O)[O-] ZINC001288187446 1321609516 /nfs/dbraw/zinc/60/95/16/1321609516.db2.gz IBTDSMHKAYZROK-UHFFFAOYSA-N 0 0 341.371 2.596 10 5 EFBERN O=C(N[C@@H]1CCCn2nccc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001288199013 1321613023 /nfs/dbraw/zinc/61/30/23/1321613023.db2.gz PHXGHZJNHQXVIZ-GFCCVEGCSA-N 0 0 326.312 2.802 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cn1cc(C)c2ccccc21 ZINC001288211877 1321617599 /nfs/dbraw/zinc/61/75/99/1321617599.db2.gz IPOZZIZOEAZCSY-UHFFFAOYSA-N 0 0 340.339 2.900 10 5 EFBERN CCc1ccc(OCC(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001288212335 1321618003 /nfs/dbraw/zinc/61/80/03/1321618003.db2.gz KXSISHIMEANYOD-UHFFFAOYSA-N 0 0 331.328 2.578 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1nccc2ccsc21 ZINC001288215734 1321619326 /nfs/dbraw/zinc/61/93/26/1321619326.db2.gz HDFNLMPXADQCKT-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)OCc1ccccc1C ZINC001288216549 1321619933 /nfs/dbraw/zinc/61/99/33/1321619933.db2.gz XMDBEPDEDWGJJZ-LBPRGKRZSA-N 0 0 345.355 2.851 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cnn(C(C)C)c1Cl ZINC001288216267 1321620163 /nfs/dbraw/zinc/62/01/63/1321620163.db2.gz SIUPMMLKLXAYQN-UHFFFAOYSA-N 0 0 339.739 2.682 10 5 EFBERN CS/C=C\C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001288347498 1321646151 /nfs/dbraw/zinc/64/61/51/1321646151.db2.gz BSBCHOVKLUSAQY-PLNGDYQASA-N 0 0 331.191 2.850 10 5 EFBERN Cc1cc(C(F)F)n(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001288504084 1321695293 /nfs/dbraw/zinc/69/52/93/1321695293.db2.gz NUMCKDPANYLXJY-SNVBAGLBSA-N 0 0 338.314 2.915 10 5 EFBERN C[C@@H](NC(=O)c1ncoc1-c1ccon1)c1ccccc1[N+](=O)[O-] ZINC001288504120 1321695687 /nfs/dbraw/zinc/69/56/87/1321695687.db2.gz OVMCSYYKSHUNMN-SECBINFHSA-N 0 0 328.284 2.729 10 5 EFBERN Cc1cnc2c(cnn2CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001288504269 1321695713 /nfs/dbraw/zinc/69/57/13/1321695713.db2.gz SFISRWXYQQTZCN-GFCCVEGCSA-N 0 0 339.355 2.525 10 5 EFBERN COc1cc(C(=O)NCc2noc3ccccc23)ccc1[N+](=O)[O-] ZINC001288723142 1321746012 /nfs/dbraw/zinc/74/60/12/1321746012.db2.gz MOFKMXOEMIQLSN-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001288781021 1321759190 /nfs/dbraw/zinc/75/91/90/1321759190.db2.gz BHFLBWWNWRFVNR-WMLDXEAASA-N 0 0 346.314 2.562 10 5 EFBERN CC(=O)Nc1cccc(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001288790934 1321760368 /nfs/dbraw/zinc/76/03/68/1321760368.db2.gz GQBQJHYVPWOJMK-LBPRGKRZSA-N 0 0 341.367 2.973 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2OC[C@H]1F ZINC001288789890 1321760417 /nfs/dbraw/zinc/76/04/17/1321760417.db2.gz YURRVESACIHDJT-PXAZEXFGSA-N 0 0 346.314 2.562 10 5 EFBERN CCOC(=O)N(C)CCCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001288796151 1321761519 /nfs/dbraw/zinc/76/15/19/1321761519.db2.gz WADDUTFCPMUBMK-LBPRGKRZSA-N 0 0 337.376 2.641 10 5 EFBERN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001288887641 1321787825 /nfs/dbraw/zinc/78/78/25/1321787825.db2.gz WOUBOJVSGJVUOA-IHRRRGAJSA-N 0 0 340.383 2.947 10 5 EFBERN COc1ccc([S@](C)(=O)=NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC001289025804 1321798456 /nfs/dbraw/zinc/79/84/56/1321798456.db2.gz BSNBBQYHIAWRHK-DEOSSOPVSA-N 0 0 349.368 2.604 10 5 EFBERN CCOC(=O)[C@@](C)(NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC001289092141 1321799721 /nfs/dbraw/zinc/79/97/21/1321799721.db2.gz AHGQFGVKJZSWQP-CYBMUJFWSA-N 0 0 348.277 2.517 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001289081083 1321800230 /nfs/dbraw/zinc/80/02/30/1321800230.db2.gz FLUKRMIYBZBNKJ-VIFPVBQESA-N 0 0 333.369 2.758 10 5 EFBERN O=C(Nc1n[nH]c(-c2ccco2)n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001289106133 1321800304 /nfs/dbraw/zinc/80/03/04/1321800304.db2.gz GKTZBQZUILCWRF-RYUDHWBXSA-N 0 0 339.311 2.715 10 5 EFBERN COc1ccc(CC(=O)Nc2cnc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC001289242380 1321808335 /nfs/dbraw/zinc/80/83/35/1321808335.db2.gz REWLEBBKHMIREU-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001289254658 1321809756 /nfs/dbraw/zinc/80/97/56/1321809756.db2.gz CRZUSSXQOGLNTR-SNVBAGLBSA-N 0 0 345.330 2.650 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001289306486 1321811862 /nfs/dbraw/zinc/81/18/62/1321811862.db2.gz HZGYLHJENKOCHN-UHFFFAOYSA-N 0 0 332.743 2.904 10 5 EFBERN Cc1ccc([S@](C)(=O)=NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001289350276 1321813821 /nfs/dbraw/zinc/81/38/21/1321813821.db2.gz SUUANSKAHLVCJW-QHCPKHFHSA-N 0 0 333.369 2.904 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001289463876 1321817944 /nfs/dbraw/zinc/81/79/44/1321817944.db2.gz XTHSTWKFHWTZKZ-UHFFFAOYSA-N 0 0 345.355 2.968 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001289462502 1321818153 /nfs/dbraw/zinc/81/81/53/1321818153.db2.gz CHTISPDDLRAUHF-UHFFFAOYSA-N 0 0 331.328 2.578 10 5 EFBERN CC(C)[C@@H]1CCc2nc(NC(=O)Cn3cc([N+](=O)[O-])cn3)sc2C1 ZINC001289562694 1321820656 /nfs/dbraw/zinc/82/06/56/1321820656.db2.gz ZWXBFKDXQYOECX-SNVBAGLBSA-N 0 0 349.416 2.647 10 5 EFBERN NC(=O)CC1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC001289632847 1321822388 /nfs/dbraw/zinc/82/23/88/1321822388.db2.gz JRDRELWESTZDOS-UHFFFAOYSA-N 0 0 339.779 2.556 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC001289689280 1321823022 /nfs/dbraw/zinc/82/30/22/1321823022.db2.gz DNXGSGMRNVHPNR-JTQLQIEISA-N 0 0 344.327 2.567 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2cnc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001289755295 1321824794 /nfs/dbraw/zinc/82/47/94/1321824794.db2.gz LLDCPFVEYXKLHR-UHFFFAOYSA-N 0 0 340.261 2.725 10 5 EFBERN Cc1cc(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001289785549 1321827214 /nfs/dbraw/zinc/82/72/14/1321827214.db2.gz WQYCBDVMHCFZKO-HNNXBMFYSA-N 0 0 339.351 2.992 10 5 EFBERN Cc1cc(NC(=O)c2cnn(C)c2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001289785563 1321827438 /nfs/dbraw/zinc/82/74/38/1321827438.db2.gz XEMHGMMIOORLPY-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN Cc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc([N+](=O)[O-])c1 ZINC001289786067 1321827559 /nfs/dbraw/zinc/82/75/59/1321827559.db2.gz XNDNOQOGWVUWAY-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN Cc1cc(NC(=O)CCc2nnc(C(F)F)o2)cc([N+](=O)[O-])c1 ZINC001289785937 1321827684 /nfs/dbraw/zinc/82/76/84/1321827684.db2.gz RHMHQXDKBPPZOE-UHFFFAOYSA-N 0 0 326.259 2.795 10 5 EFBERN CCn1cc(CC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)nn1 ZINC001289840379 1321830474 /nfs/dbraw/zinc/83/04/74/1321830474.db2.gz XOPWBLKKBYSMMB-UHFFFAOYSA-N 0 0 325.328 2.541 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cc(F)cc(F)c2C1 ZINC001289885115 1321833601 /nfs/dbraw/zinc/83/36/01/1321833601.db2.gz VWGVFTIPVUJAKB-UHFFFAOYSA-N 0 0 333.294 2.775 10 5 EFBERN CC(C)(F)c1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC001289939118 1321840031 /nfs/dbraw/zinc/84/00/31/1321840031.db2.gz GACXNZCAYBQCRC-UHFFFAOYSA-N 0 0 337.263 2.768 10 5 EFBERN CN(Cc1ccc2ccccc2c1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001289972769 1321850465 /nfs/dbraw/zinc/85/04/65/1321850465.db2.gz DLEHUWAAKJCULC-UHFFFAOYSA-N 0 0 336.351 2.997 10 5 EFBERN COc1ccc(CN(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001290059034 1321872208 /nfs/dbraw/zinc/87/22/08/1321872208.db2.gz VUYGKECWVBRNKD-UHFFFAOYSA-N 0 0 332.331 2.944 10 5 EFBERN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)o1 ZINC001290103595 1321877835 /nfs/dbraw/zinc/87/78/35/1321877835.db2.gz NRLLGRAGSWOTOL-UHFFFAOYSA-N 0 0 340.339 2.954 10 5 EFBERN CCOc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1OCC ZINC001290171645 1321881640 /nfs/dbraw/zinc/88/16/40/1321881640.db2.gz JFMHDVCQSGNOKH-UHFFFAOYSA-N 0 0 346.343 2.622 10 5 EFBERN CC(=O)Nc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001290465225 1321915147 /nfs/dbraw/zinc/91/51/47/1321915147.db2.gz IAYPOOPEOGGGBM-UHFFFAOYSA-N 0 0 345.330 2.551 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@H]1Cc1ccccc1 ZINC001290469710 1321916039 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CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[NH+]1CCC(C)CC1 ZINC001290876705 1321967626 /nfs/dbraw/zinc/96/76/26/1321967626.db2.gz YARBKXFBILYMLY-MRXNPFEDSA-N 0 0 349.431 2.787 10 5 EFBERN COC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001291662896 1321993738 /nfs/dbraw/zinc/99/37/38/1321993738.db2.gz BBXNHKMKTMXWFV-UHFFFAOYSA-N 0 0 331.284 2.575 10 5 EFBERN Cc1nnc(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC001292086716 1322035904 /nfs/dbraw/zinc/03/59/04/1322035904.db2.gz YPRBBOMDZQRSKQ-UHFFFAOYSA-N 0 0 332.360 2.656 10 5 EFBERN C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001292477584 1322080320 /nfs/dbraw/zinc/08/03/20/1322080320.db2.gz LQGJYICAWCEYLM-BZNIZROVSA-N 0 0 332.331 2.687 10 5 EFBERN Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)cc1 ZINC001292496910 1322083233 /nfs/dbraw/zinc/08/32/33/1322083233.db2.gz MAFCPJPKCAXIFO-HZPDHXFCSA-N 0 0 340.335 2.818 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc(-c2ncon2)cc1 ZINC001292605236 1322092083 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EFBERN C[C@H]1CCC[C@H]1NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001293165327 1322201356 /nfs/dbraw/zinc/20/13/56/1322201356.db2.gz PAWOXGYBTLPFMX-OIBJUYFYSA-N 0 0 342.193 2.858 10 5 EFBERN COC(=O)c1nc(CNc2ncc(C)cc2[N+](=O)[O-])ccc1Cl ZINC001307160893 1322250057 /nfs/dbraw/zinc/25/00/57/1322250057.db2.gz GJVLQFZFFGJZJF-UHFFFAOYSA-N 0 0 336.735 2.745 10 5 EFBERN CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1OC ZINC001293527307 1322277527 /nfs/dbraw/zinc/27/75/27/1322277527.db2.gz KUSZWDKHJSBMKD-UHFFFAOYSA-N 0 0 345.355 2.514 10 5 EFBERN O=Cc1cncc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001293659361 1322312856 /nfs/dbraw/zinc/31/28/56/1322312856.db2.gz GCLPQIQTLAUQIF-INIZCTEOSA-N 0 0 343.364 2.690 10 5 EFBERN CCc1ccc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)o1 ZINC001293716815 1322334802 /nfs/dbraw/zinc/33/48/02/1322334802.db2.gz AHQXYQAPBKHCFL-OAHLLOKOSA-N 0 0 345.355 2.546 10 5 EFBERN CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCOCC1 ZINC001294260300 1322441140 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328.324 2.640 10 5 EFBERN CC(=O)Nc1cccnc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001295036038 1322622093 /nfs/dbraw/zinc/62/20/93/1322622093.db2.gz DZMPNIQQDHRJLX-UHFFFAOYSA-N 0 0 348.746 2.532 10 5 EFBERN CCC[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001295084339 1322630799 /nfs/dbraw/zinc/63/07/99/1322630799.db2.gz HRJHJQIXSXDSEN-GFCCVEGCSA-N 0 0 326.780 2.818 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CCO)CCc1ccccc1 ZINC001295190774 1322649756 /nfs/dbraw/zinc/64/97/56/1322649756.db2.gz QKXDXCMWHZBUMT-UHFFFAOYSA-N 0 0 346.358 2.720 10 5 EFBERN CC(=O)c1ccc(NC[C@@H](n2cncn2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001307186152 1322656653 /nfs/dbraw/zinc/65/66/53/1322656653.db2.gz QYFHEBVXVUUNMX-GFCCVEGCSA-N 0 0 343.265 2.604 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2ccccn2)CC1 ZINC001295581109 1322728720 /nfs/dbraw/zinc/72/87/20/1322728720.db2.gz VKDBAXUYJKSUSR-UHFFFAOYSA-N 0 0 341.367 2.850 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CO)cc1 ZINC001295669835 1322746973 /nfs/dbraw/zinc/74/69/73/1322746973.db2.gz GKXMSYUVHPGZAB-UHFFFAOYSA-N 0 0 334.759 2.713 10 5 EFBERN C[C@@]1(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCCOC1 ZINC001295692332 1322752058 /nfs/dbraw/zinc/75/20/58/1322752058.db2.gz QYISHDVMSVKEMT-QGZVFWFLSA-N 0 0 329.356 2.629 10 5 EFBERN COc1c(C(=O)N(CCO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001295718583 1322758603 /nfs/dbraw/zinc/75/86/03/1322758603.db2.gz KDGCKSVAJAGSPP-CYBMUJFWSA-N 0 0 344.367 2.799 10 5 EFBERN O=C(Nc1c[nH]c(C(=O)N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001296057992 1322847199 /nfs/dbraw/zinc/84/71/99/1322847199.db2.gz GSXSMWWYLVNOKG-UHFFFAOYSA-N 0 0 346.318 2.550 10 5 EFBERN CN(CCN(C)C(=O)C1(F)CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001320015952 1329055850 /nfs/dbraw/zinc/05/58/50/1329055850.db2.gz FUPTVNASLHIFFK-UHFFFAOYSA-N 0 0 343.424 2.829 10 5 EFBERN Cc1cnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)s1 ZINC001296379092 1322898868 /nfs/dbraw/zinc/89/88/68/1322898868.db2.gz FJYYMCNTTPRUPZ-UHFFFAOYSA-N 0 0 346.412 2.962 10 5 EFBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001296446201 1322917420 /nfs/dbraw/zinc/91/74/20/1322917420.db2.gz BYYMJEDSAPKRMI-UHFFFAOYSA-N 0 0 339.355 2.716 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(F)c(OC)cc2C)c1[N+](=O)[O-] ZINC001296580045 1322948287 /nfs/dbraw/zinc/94/82/87/1322948287.db2.gz NTYLMUABXACRMC-UHFFFAOYSA-N 0 0 334.307 2.740 10 5 EFBERN CNc1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)cc1[N+](=O)[O-] ZINC001296825974 1323021207 /nfs/dbraw/zinc/02/12/07/1323021207.db2.gz YSNZXTXUZSFCLE-UHFFFAOYSA-N 0 0 342.355 2.717 10 5 EFBERN COC(OC)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001296944021 1323063894 /nfs/dbraw/zinc/06/38/94/1323063894.db2.gz FGVDGWJJWROBGW-HNNXBMFYSA-N 0 0 348.330 2.824 10 5 EFBERN O=C(Nc1ccn2ccnc2c1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001297439268 1323217159 /nfs/dbraw/zinc/21/71/59/1323217159.db2.gz GMVHZDUMRQFODK-UHFFFAOYSA-N 0 0 348.322 2.885 10 5 EFBERN CSCc1ccc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001297596555 1323291727 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341.367 2.914 10 5 EFBERN O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001298141236 1323451288 /nfs/dbraw/zinc/45/12/88/1323451288.db2.gz GFDZPNHASPJQSE-JKSUJKDBSA-N 0 0 349.406 2.735 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2nccn2c1 ZINC001298192489 1323454059 /nfs/dbraw/zinc/45/40/59/1323454059.db2.gz WNMOEFPWORFLDB-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1Cc2cncnc2C1 ZINC001298572083 1323568484 /nfs/dbraw/zinc/56/84/84/1323568484.db2.gz HKTZTCDGZMXIMA-UHFFFAOYSA-N 0 0 338.245 2.560 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC/C=C\c1cccnc1 ZINC001298673590 1323586347 /nfs/dbraw/zinc/58/63/47/1323586347.db2.gz MCALWPVWDCHAID-RQOWECAXSA-N 0 0 329.331 2.891 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1nc2ccccc2o1 ZINC001298795264 1323610295 /nfs/dbraw/zinc/61/02/95/1323610295.db2.gz JGTOSGLWHRLTRE-UHFFFAOYSA-N 0 0 343.314 2.777 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(CC)c[nH]c1=O ZINC001298830581 1323618291 /nfs/dbraw/zinc/61/82/91/1323618291.db2.gz WKLKODPSPXJIOQ-UHFFFAOYSA-N 0 0 331.328 2.909 10 5 EFBERN Nc1ccc(NC(=O)[C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC001298875714 1323627051 /nfs/dbraw/zinc/62/70/51/1323627051.db2.gz OKWSYZGMHLQIMJ-CQSZACIVSA-N 0 0 329.356 2.672 10 5 EFBERN Nc1ccc(NC(=O)c2cc(Br)co2)cc1[N+](=O)[O-] ZINC001298876003 1323627184 /nfs/dbraw/zinc/62/71/84/1323627184.db2.gz QCLQXZOFWCZPIN-UHFFFAOYSA-N 0 0 326.106 2.785 10 5 EFBERN Nc1ccc(NC(=O)Cc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC001298875977 1323627524 /nfs/dbraw/zinc/62/75/24/1323627524.db2.gz PKULRIBNQIVUFD-UHFFFAOYSA-N 0 0 340.261 2.772 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1noc(C(F)(F)F)n1 ZINC001299781896 1323706925 /nfs/dbraw/zinc/70/69/25/1323706925.db2.gz GXNVRPIQEFHWNP-BYPYZUCNSA-N 0 0 336.251 2.549 10 5 EFBERN CCc1[nH]nc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c1C ZINC001299795197 1323707803 /nfs/dbraw/zinc/70/78/03/1323707803.db2.gz CJBANAOSQZGZTF-UHFFFAOYSA-N 0 0 346.343 2.602 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001299890844 1323711541 /nfs/dbraw/zinc/71/15/41/1323711541.db2.gz BURDGLIOTVXLBH-CQSZACIVSA-N 0 0 329.784 2.501 10 5 EFBERN Cc1ccc(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1O ZINC001299933099 1323713024 /nfs/dbraw/zinc/71/30/24/1323713024.db2.gz IQQGARONUPSYJR-UHFFFAOYSA-N 0 0 336.294 2.746 10 5 EFBERN O=C(Nc1ccnc(OCc2ccccc2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC001299941789 1323714517 /nfs/dbraw/zinc/71/45/17/1323714517.db2.gz KYBGVKASMARWOR-UHFFFAOYSA-N 0 0 339.311 2.544 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2Cc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC001301073833 1324521088 /nfs/dbraw/zinc/52/10/88/1324521088.db2.gz OBQTZKGOCPPCIL-UHFFFAOYSA-N 0 0 343.295 2.673 10 5 EFBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1OC(F)F ZINC001301134467 1324523806 /nfs/dbraw/zinc/52/38/06/1324523806.db2.gz WSPCGOXJUOCEPG-UHFFFAOYSA-N 0 0 327.243 2.785 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C=Cc2ccccc2)cc1[N+](=O)[O-] ZINC001302303888 1324571871 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EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001303019525 1324592204 /nfs/dbraw/zinc/59/22/04/1324592204.db2.gz VYYLAQBVQSILTQ-CYBMUJFWSA-N 0 0 326.356 2.548 10 5 EFBERN CCc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)n(C)n1 ZINC001303180350 1324595925 /nfs/dbraw/zinc/59/59/25/1324595925.db2.gz HTCGHKFIILOGET-UHFFFAOYSA-N 0 0 340.343 2.533 10 5 EFBERN CCc1nccn1CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001303468739 1324606023 /nfs/dbraw/zinc/60/60/23/1324606023.db2.gz ADIDAIVKQSCHJY-UHFFFAOYSA-N 0 0 334.401 2.506 10 5 EFBERN CCc1nccn1CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001303469147 1324607865 /nfs/dbraw/zinc/60/78/65/1324607865.db2.gz BJVIIOQTFXWCKX-UHFFFAOYSA-N 0 0 340.742 2.576 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3cnccc3s2)c1 ZINC001303483077 1324607908 /nfs/dbraw/zinc/60/79/08/1324607908.db2.gz AXIDUJLBCCJJOP-UHFFFAOYSA-N 0 0 344.352 2.538 10 5 EFBERN O=C(CCc1ccc2ccccc2c1O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303573612 1324612834 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O=c1[nH]ccc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001307112214 1324742061 /nfs/dbraw/zinc/74/20/61/1324742061.db2.gz DEIQQGKZLPZAIP-DZGCQCFKSA-N 0 0 337.339 2.849 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2cccnc2N)cc1C ZINC001307122487 1324743062 /nfs/dbraw/zinc/74/30/62/1324743062.db2.gz AKNACYZMCOSGPW-UHFFFAOYSA-N 0 0 330.344 2.669 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3CCc4ccccc4[C@@H]3CO)c2c1 ZINC001307121128 1324743100 /nfs/dbraw/zinc/74/31/00/1324743100.db2.gz VPERPSOSTLYEOP-KRWDZBQOSA-N 0 0 336.351 2.634 10 5 EFBERN CS(=O)(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001307120205 1324743109 /nfs/dbraw/zinc/74/31/09/1324743109.db2.gz HSFRIZTYSNDCIA-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN Nc1nc(Cl)c(N)c(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001307123257 1324743132 /nfs/dbraw/zinc/74/31/32/1324743132.db2.gz QIDVUYLADBMDON-SNVBAGLBSA-N 0 0 348.794 2.587 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3CCc4ccccc4[C@H]3CO)c2c1 ZINC001307121129 1324743339 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O=c1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])nc(C2CC2)[nH]1 ZINC001307209548 1324751125 /nfs/dbraw/zinc/75/11/25/1324751125.db2.gz FDMDAFFPUACBAU-UHFFFAOYSA-N 0 0 337.339 2.550 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc([C@H](C)CC(N)=O)cc1 ZINC001307220976 1324751373 /nfs/dbraw/zinc/75/13/73/1324751373.db2.gz MZIZDJNOKFIEQA-SNVBAGLBSA-N 0 0 331.376 2.842 10 5 EFBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCS1(=O)=O ZINC001307216332 1324751914 /nfs/dbraw/zinc/75/19/14/1324751914.db2.gz SBNXBDWZHLOZIB-GHMZBOCLSA-N 0 0 335.385 2.521 10 5 EFBERN CNc1cc(CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])ccn1 ZINC001307214714 1324752048 /nfs/dbraw/zinc/75/20/48/1324752048.db2.gz QILAGUZZYLAMJT-XQRVVYSFSA-N 0 0 342.355 2.830 10 5 EFBERN COC(=O)c1cnc(NC[C@H]2CCCC3(CCC3)O2)c([N+](=O)[O-])c1 ZINC001307223098 1324752443 /nfs/dbraw/zinc/75/24/43/1324752443.db2.gz NQQIDMDTBFIIOO-GFCCVEGCSA-N 0 0 335.360 2.680 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[C@H](NC1CC1)C(F)(F)F ZINC001307228508 1324752455 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CHOIFBRUCWTQDA-HNJNHCNJSA-N 0 0 343.383 2.798 10 5 EFBERN O=[N+]([O-])c1cnn(Cc2cc([N+](=O)[O-])ccc2Br)c1 ZINC001307289028 1324756653 /nfs/dbraw/zinc/75/66/53/1324756653.db2.gz JBLYHLKKFHEGJK-UHFFFAOYSA-N 0 0 327.094 2.510 10 5 EFBERN Cc1nn(CC(=O)CC[C@@H]2CCCCO2)c2ncc([N+](=O)[O-])cc12 ZINC001307310156 1324758405 /nfs/dbraw/zinc/75/84/05/1324758405.db2.gz OQAYJOLAWXAIFR-AWEZNQCLSA-N 0 0 332.360 2.566 10 5 EFBERN CC(=O)Nc1cccc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC001307310391 1324758474 /nfs/dbraw/zinc/75/84/74/1324758474.db2.gz SOQUTERMUNHZCB-UHFFFAOYSA-N 0 0 325.328 2.655 10 5 EFBERN COc1ccc(NC(=O)COc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC001307363282 1324762814 /nfs/dbraw/zinc/76/28/14/1324762814.db2.gz JJBFEKDFKZULFJ-UHFFFAOYSA-N 0 0 332.312 2.630 10 5 EFBERN Nc1ccn(Cc2ncc(-c3ccc(Cl)cc3)o2)c(=O)c1[N+](=O)[O-] ZINC001307370116 1324763848 /nfs/dbraw/zinc/76/38/48/1324763848.db2.gz NUXSJQDCOLXKKM-UHFFFAOYSA-N 0 0 346.730 2.695 10 5 EFBERN O=[N+]([O-])c1cn(C[C@H]2CCC[C@]3(CCOC3)O2)nc1-c1ccccn1 ZINC001307371661 1324763955 /nfs/dbraw/zinc/76/39/55/1324763955.db2.gz DWIGHCVQXHBRRL-CXAGYDPISA-N 0 0 344.371 2.582 10 5 EFBERN COc1cc([N+](=O)[O-])cn(CC(F)(F)c2ccc(F)cc2)c1=O ZINC001307378652 1324765145 /nfs/dbraw/zinc/76/51/45/1324765145.db2.gz DUMZKRVMKMBHAD-UHFFFAOYSA-N 0 0 328.246 2.696 10 5 EFBERN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CC[N+](=O)[O-] ZINC001307482249 1324770513 /nfs/dbraw/zinc/77/05/13/1324770513.db2.gz MBFUIDXHQMIFEK-IAGOWNOFSA-N 0 0 349.431 2.775 10 5 EFBERN CC[C@@H]1CO[C@@H](CC)CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001307907856 1324785343 /nfs/dbraw/zinc/78/53/43/1324785343.db2.gz NWOMNUVXAHTHLO-KGLIPLIRSA-N 0 0 338.404 2.872 10 5 EFBERN CC(C)(C)[C@H]1CNC(=O)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001308105591 1324794590 /nfs/dbraw/zinc/79/45/90/1324794590.db2.gz AIWTYFVNFLDDPI-CYBMUJFWSA-N 0 0 325.796 2.595 10 5 EFBERN CCN(CCNC(=O)/C=C(/C)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001317477454 1324865836 /nfs/dbraw/zinc/86/58/36/1324865836.db2.gz PXUBMMFHJJGAKQ-OWBHPGMISA-N 0 0 331.416 2.889 10 5 EFBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000853855617 1324895290 /nfs/dbraw/zinc/89/52/90/1324895290.db2.gz YKZFRJICOWKSGP-NSHDSACASA-N 0 0 341.339 2.880 10 5 EFBERN CC[C@@H](NC(=O)NC[C@]1(O)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313022 1324982323 /nfs/dbraw/zinc/98/23/23/1324982323.db2.gz IMJKOZKGEIZPCD-SRCQZFHVSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001312597239 1324990666 /nfs/dbraw/zinc/99/06/66/1324990666.db2.gz STFTXWCFACUMKG-ZYHUDNBSSA-N 0 0 329.360 2.625 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC001313154309 1325007302 /nfs/dbraw/zinc/00/73/02/1325007302.db2.gz CKCQQMICFZWFKK-LBPRGKRZSA-N 0 0 329.360 2.562 10 5 EFBERN C[C@H](NC(=O)N[C@@H]1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC001313202138 1325008826 /nfs/dbraw/zinc/00/88/26/1325008826.db2.gz UPRBCUMGNZXYOK-SMDDNHRTSA-N 0 0 329.360 2.687 10 5 EFBERN CC(C)(NC(=O)N[C@@H]1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC001313198355 1325009086 /nfs/dbraw/zinc/00/90/86/1325009086.db2.gz SXLFOQLECJMPCL-CQSZACIVSA-N 0 0 343.387 2.861 10 5 EFBERN O=C(NC[C@]12C[C@H]1CCC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001313329169 1325012577 /nfs/dbraw/zinc/01/25/77/1325012577.db2.gz FLKUVKDLWCLQCI-KDOFPFPSSA-N 0 0 344.415 2.617 10 5 EFBERN COCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001316010371 1325068805 /nfs/dbraw/zinc/06/88/05/1325068805.db2.gz LJDFGYKEVMBBKK-UHFFFAOYSA-N 0 0 345.403 2.879 10 5 EFBERN CC1CCC(C)(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001321513433 1329392214 /nfs/dbraw/zinc/39/22/14/1329392214.db2.gz YCHXGYRLWOQDDC-UHFFFAOYSA-N 0 0 347.415 2.544 10 5 EFBERN CN(CCNC(=O)Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001317468818 1328056421 /nfs/dbraw/zinc/05/64/21/1328056421.db2.gz DBXWIMXIACLPFS-UHFFFAOYSA-N 0 0 345.374 2.525 10 5 EFBERN CN(CCNC(=O)CCc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC001317470120 1328057456 /nfs/dbraw/zinc/05/74/56/1328057456.db2.gz JXYKXNUNNQYMLR-UHFFFAOYSA-N 0 0 347.440 2.837 10 5 EFBERN CCC1(C(=O)NC2CN(Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001318073497 1328489133 /nfs/dbraw/zinc/48/91/33/1328489133.db2.gz GEFAVJSZLPAOIG-UHFFFAOYSA-N 0 0 331.416 2.866 10 5 EFBERN COc1cc(OCc2nnc(Cc3ccccn3)o2)ccc1[N+](=O)[O-] ZINC001322352535 1329450716 /nfs/dbraw/zinc/45/07/16/1329450716.db2.gz KGGCGTYXKYMSMS-UHFFFAOYSA-N 0 0 342.311 2.551 10 5 EFBERN CC(=O)Nc1cncc(-c2nnc(-c3ccc([N+](=O)[O-])s3)o2)c1 ZINC001322394817 1329455718 /nfs/dbraw/zinc/45/57/18/1329455718.db2.gz SEDMWPRPILNXNM-UHFFFAOYSA-N 0 0 331.313 2.727 10 5 EFBERN CCOc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cn2)cc1OC ZINC001322591294 1329470324 /nfs/dbraw/zinc/47/03/24/1329470324.db2.gz ZYKDFMYDVHWBQC-UHFFFAOYSA-N 0 0 345.355 2.669 10 5 EFBERN CC(C)(c1nnc(CCOc2ccccc2)o1)n1cc([N+](=O)[O-])cn1 ZINC001322972751 1329501902 /nfs/dbraw/zinc/50/19/02/1329501902.db2.gz GTTDKZVULCJKJD-UHFFFAOYSA-N 0 0 343.343 2.579 10 5 EFBERN O=C(NCc1ccc(Cl)cn1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001323451034 1329544586 /nfs/dbraw/zinc/54/45/86/1329544586.db2.gz BZZLVOKPQLNBSA-UHFFFAOYSA-N 0 0 332.747 2.869 10 5 EFBERN CC(=O)Nc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)nc1 ZINC001323771740 1329569586 /nfs/dbraw/zinc/56/95/86/1329569586.db2.gz LUIZPXMIACVILL-UHFFFAOYSA-N 0 0 339.311 2.682 10 5 EFBERN O=C(NOCc1ccc(F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001323797276 1329571328 /nfs/dbraw/zinc/57/13/28/1329571328.db2.gz RHUIUUJVQGHZQK-UHFFFAOYSA-N 0 0 331.303 2.891 10 5 EFBERN CCC(C)(C)C(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001323979159 1329588668 /nfs/dbraw/zinc/58/86/68/1329588668.db2.gz NIFHPOGXTJEJND-UHFFFAOYSA-N 0 0 325.434 2.735 10 5 EFBERN O=C(OCC1CCC(O)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001324173872 1329605525 /nfs/dbraw/zinc/60/55/25/1329605525.db2.gz GEGFIPZIYRLOSP-UHFFFAOYSA-N 0 0 348.399 2.903 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H]2CCC[C@@H](C1)C2O ZINC001325180661 1329674492 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10 5 EFBERN Cc1cncc([N+](=O)[O-])c1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001326082259 1329732386 /nfs/dbraw/zinc/73/23/86/1329732386.db2.gz KFJPALRNDCQILY-UHFFFAOYSA-N 0 0 332.404 2.527 10 5 EFBERN O=[N+]([O-])c1ccccc1-n1ccc(-c2nnc(Cc3ccccn3)o2)n1 ZINC001326308651 1329746027 /nfs/dbraw/zinc/74/60/27/1329746027.db2.gz CDDGMGZKOPKJDC-UHFFFAOYSA-N 0 0 348.322 2.816 10 5 EFBERN O=Cc1ccc(OCC(=O)OC[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001327116038 1330419998 /nfs/dbraw/zinc/41/99/98/1330419998.db2.gz OOMQKIRMTKWJFO-MCIONIFRSA-N 0 0 333.340 2.766 10 5 EFBERN O=Cc1ccc(OCC(=O)OC[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001327116036 1330420307 /nfs/dbraw/zinc/42/03/07/1330420307.db2.gz OOMQKIRMTKWJFO-HZSPNIEDSA-N 0 0 333.340 2.766 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001327511340 1330492218 /nfs/dbraw/zinc/49/22/18/1330492218.db2.gz HEMNKUFJJSLWMW-CTYIDZIISA-N 0 0 333.388 2.966 10 5 EFBERN COC(=O)CCCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001327643724 1330503715 /nfs/dbraw/zinc/50/37/15/1330503715.db2.gz VTTVHPSWSWWILC-UHFFFAOYSA-N 0 0 338.751 2.947 10 5 EFBERN CO[C@H](c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1)[C@@H]1CCOC1 ZINC001327742192 1330513279 /nfs/dbraw/zinc/51/32/79/1330513279.db2.gz PQAZMZVMYXCREM-RISCZKNCSA-N 0 0 333.344 2.986 10 5 EFBERN COc1ccc(CC(=O)OC[C@H](OC)C2CCCC2)cc1[N+](=O)[O-] ZINC001327937705 1330531634 /nfs/dbraw/zinc/53/16/34/1330531634.db2.gz GVOOENVNPIGRFY-INIZCTEOSA-N 0 0 337.372 2.894 10 5 EFBERN COc1cc(COC(=O)C[C@@H](C)n2ccc(C)n2)ccc1[N+](=O)[O-] ZINC001327998431 1330539810 /nfs/dbraw/zinc/53/98/10/1330539810.db2.gz XFCJRGOAPGYSRR-GFCCVEGCSA-N 0 0 333.344 2.803 10 5 EFBERN CN(Cc1nnc(Cc2ccccn2)o1)c1ccccc1[N+](=O)[O-] ZINC001328445991 1330592066 /nfs/dbraw/zinc/59/20/66/1330592066.db2.gz KVUBOEFDIIJXDY-UHFFFAOYSA-N 0 0 325.328 2.600 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC2(CC2(F)F)C1 ZINC001328614106 1330608891 /nfs/dbraw/zinc/60/88/91/1330608891.db2.gz AEZMAMRFSDRJAM-UHFFFAOYSA-N 0 0 327.287 2.913 10 5 EFBERN O=C([C@@H]1CCCC12CC2)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001328734905 1330623121 /nfs/dbraw/zinc/62/31/21/1330623121.db2.gz YQOATMXOWXEKHT-KRWDZBQOSA-N 0 0 343.427 2.819 10 5 EFBERN O=C([C@H]1CCCC12CC2)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001328734906 1330623266 /nfs/dbraw/zinc/62/32/66/1330623266.db2.gz YQOATMXOWXEKHT-QGZVFWFLSA-N 0 0 343.427 2.819 10 5 EFBERN CC1(C)CCC[C@@](O)(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001329131784 1330671282 /nfs/dbraw/zinc/67/12/82/1330671282.db2.gz ZESAAXMXUXEPMT-SFHVURJKSA-N 0 0 332.400 2.811 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CCC[C@H](F)C1 ZINC001329160073 1330674743 /nfs/dbraw/zinc/67/47/43/1330674743.db2.gz IMDMEUWTONIYQO-RYUDHWBXSA-N 0 0 338.335 2.913 10 5 EFBERN CO[C@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001329410539 1330704754 /nfs/dbraw/zinc/70/47/54/1330704754.db2.gz PODSVFJVKLMYBF-MNOVXSKESA-N 0 0 330.344 2.832 10 5 EFBERN CO[C@H](COc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCOC1 ZINC001329516168 1330714313 /nfs/dbraw/zinc/71/43/13/1330714313.db2.gz WSDBSHQNXVVLJV-TVQRCGJNSA-N 0 0 346.177 2.788 10 5 EFBERN C/C(=C/C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc([N+](=O)[O-])cc1 ZINC001329621693 1330723824 /nfs/dbraw/zinc/72/38/24/1330723824.db2.gz QTRPOPXUMOLZKC-HJURXVCZSA-N 0 0 328.368 2.538 10 5 EFBERN COC(=O)[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC001329628512 1330725191 /nfs/dbraw/zinc/72/51/91/1330725191.db2.gz PQZQXHLLTQQHBV-GOSISDBHSA-N 0 0 342.351 2.773 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001329635727 1330725313 /nfs/dbraw/zinc/72/53/13/1330725313.db2.gz STEUSKVAUBDGIU-IAGOWNOFSA-N 0 0 341.367 2.636 10 5 EFBERN CC(=O)Nc1cccc2c1CN(c1c(C)cncc1[N+](=O)[O-])CC2 ZINC001329740852 1330732490 /nfs/dbraw/zinc/73/24/90/1330732490.db2.gz OBCAWCXHWZZVKI-UHFFFAOYSA-N 0 0 326.356 2.819 10 5 EFBERN O=C([O-])[C@H](CCF)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001329870027 1330744298 /nfs/dbraw/zinc/74/42/98/1330744298.db2.gz JAFZBOWVBOIGKC-LBPRGKRZSA-N 0 0 339.348 2.621 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001330007312 1330761047 /nfs/dbraw/zinc/76/10/47/1330761047.db2.gz CDLVYPKYDVXBTB-IAGOWNOFSA-N 0 0 326.352 2.933 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001330899774 1330767890 /nfs/dbraw/zinc/76/78/90/1330767890.db2.gz GWVOGJAODJIYKY-UTUOFQBUSA-N 0 0 339.342 2.947 10 5 EFBERN COC(=O)C(C)(C)CN(CC(C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC001331551576 1330851954 /nfs/dbraw/zinc/85/19/54/1330851954.db2.gz CVROZSQVSQZXQG-UHFFFAOYSA-N 0 0 336.388 2.892 10 5 EFBERN CC1(C)OC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)O1 ZINC001331672660 1330865734 /nfs/dbraw/zinc/86/57/34/1330865734.db2.gz KGEBCSFWWZMHSL-CYBMUJFWSA-N 0 0 330.340 2.629 10 5 EFBERN COc1ccc(Br)cc1NCc1cn(C)nc1[N+](=O)[O-] ZINC001331934305 1330893146 /nfs/dbraw/zinc/89/31/46/1330893146.db2.gz ONACSEZVGLACBW-UHFFFAOYSA-N 0 0 341.165 2.712 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2CCCn3nncc3C2)cc1[N+](=O)[O-] ZINC001331996527 1330902463 /nfs/dbraw/zinc/90/24/63/1330902463.db2.gz YSUFALUOQURPJF-UHFFFAOYSA-N 0 0 343.387 2.530 10 5 EFBERN CO[C@@H]1CC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001332085721 1330916289 /nfs/dbraw/zinc/91/62/89/1330916289.db2.gz XSYBIYRCBSRFHE-DGCLKSJQSA-N 0 0 326.780 2.865 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC/C=C\C1CC1 ZINC001332138888 1330926729 /nfs/dbraw/zinc/92/67/29/1330926729.db2.gz XSZFWCYWYACXKT-UPHRSURJSA-N 0 0 339.189 2.982 10 5 EFBERN CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001332206306 1330940552 /nfs/dbraw/zinc/94/05/52/1330940552.db2.gz AAYOGLQEIHSDRU-AWEZNQCLSA-N 0 0 341.358 2.754 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC12CCOCC2 ZINC001332255344 1330948206 /nfs/dbraw/zinc/94/82/06/1330948206.db2.gz LLYVXGSQOLEMKW-LBPRGKRZSA-N 0 0 333.388 2.573 10 5 EFBERN CC(F)(F)CCCS(=O)(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332285075 1330953005 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ZINC001348866360 1332877565 /nfs/dbraw/zinc/87/75/65/1332877565.db2.gz REUBOMHZKMAPRG-GOSISDBHSA-N 0 0 348.399 2.844 10 5 EFBERN Cc1cc(CCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)no1 ZINC001349074149 1332902360 /nfs/dbraw/zinc/90/23/60/1332902360.db2.gz QJNGZQDYXVMGGK-UHFFFAOYSA-N 0 0 347.327 2.624 10 5 EFBERN O=C(COC(=O)C1(CF)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001349107574 1332905986 /nfs/dbraw/zinc/90/59/86/1332905986.db2.gz FJTVNUBHWQSYDK-UHFFFAOYSA-N 0 0 344.726 2.870 10 5 EFBERN COC(=O)/C=C/c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC001349432279 1332952872 /nfs/dbraw/zinc/95/28/72/1332952872.db2.gz AVQHVVNQOQZREA-FNORWQNLSA-N 0 0 342.307 2.577 10 5 EFBERN Cn1nc(-c2ccncc2)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001349433508 1332952981 /nfs/dbraw/zinc/95/29/81/1332952981.db2.gz MOGFJBFWTYQHCO-UHFFFAOYSA-N 0 0 349.350 2.593 10 5 EFBERN Cn1ncc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1C1CC1 ZINC001349658231 1332981105 /nfs/dbraw/zinc/98/11/05/1332981105.db2.gz KSHMLKSUERZZBI-UHFFFAOYSA-N 0 0 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344.249 2.660 10 5 EFBERN CN(C)c1nccc2c1N(C(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC001350310672 1333062382 /nfs/dbraw/zinc/06/23/82/1333062382.db2.gz ZYQMPABQQKSDAN-UHFFFAOYSA-N 0 0 326.356 2.649 10 5 EFBERN O=C(C=C1CCSCC1)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001350311770 1333062981 /nfs/dbraw/zinc/06/29/81/1333062981.db2.gz PBVUXKCVQXGIQW-UHFFFAOYSA-N 0 0 337.353 2.725 10 5 EFBERN O=C(CCc1cccs1)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001350311564 1333063004 /nfs/dbraw/zinc/06/30/04/1333063004.db2.gz MMJFFTKWUBWTHF-UHFFFAOYSA-N 0 0 335.337 2.966 10 5 EFBERN COCC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001350337207 1333066446 /nfs/dbraw/zinc/06/64/46/1333066446.db2.gz QIFZBQHOMVQAIM-DYVFJYSZSA-N 0 0 343.383 2.987 10 5 EFBERN O=C(COCC(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001350392076 1333073669 /nfs/dbraw/zinc/07/36/69/1333073669.db2.gz LWPQFRGIGXRAGZ-UHFFFAOYSA-N 0 0 343.311 2.939 10 5 EFBERN COc1ccn2c(c1)ncc2C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001350443743 1333083114 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Cc1c(OC(=O)c2cccc(Cn3ccnn3)c2)cccc1[N+](=O)[O-] ZINC001351047683 1333172074 /nfs/dbraw/zinc/17/20/74/1333172074.db2.gz KBGFYBBQWZDUHA-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN COc1ccc(CNC(=O)c2cc(C)cnc2Cl)cc1[N+](=O)[O-] ZINC001351121675 1333183123 /nfs/dbraw/zinc/18/31/23/1333183123.db2.gz MFWDHZDGEZMJJM-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN Cc1ccc(OC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)cc1 ZINC001351192176 1333192718 /nfs/dbraw/zinc/19/27/18/1333192718.db2.gz ORYGWKPMUYOWGB-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001351216319 1333196498 /nfs/dbraw/zinc/19/64/98/1333196498.db2.gz LFSGHQHYFCUVNI-FXAINCCUSA-N 0 0 325.315 2.800 10 5 EFBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cn2ccnn2)cc1 ZINC001351329817 1333212792 /nfs/dbraw/zinc/21/27/92/1333212792.db2.gz WJSGIMQMSBPWAJ-UHFFFAOYSA-N 0 0 341.302 2.626 10 5 EFBERN Cc1nn(CC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c2ncccc12 ZINC001351336883 1333214352 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EFBERN Nc1c(C(=O)Nc2ccn3ccnc3c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001448965567 1392202667 /nfs/dbraw/zinc/20/26/67/1392202667.db2.gz RUYNCHVKQLANKA-UHFFFAOYSA-N 0 0 349.709 2.870 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ncnn21 ZINC001449896954 1392429010 /nfs/dbraw/zinc/42/90/10/1392429010.db2.gz PINHCKUNHNHIKN-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN CCOc1nc2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)ccc2o1 ZINC001449938031 1392448135 /nfs/dbraw/zinc/44/81/35/1392448135.db2.gz DXTDPCAQGJFPAW-UHFFFAOYSA-N 0 0 330.300 2.726 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 ZINC001450031617 1392510430 /nfs/dbraw/zinc/51/04/30/1392510430.db2.gz NCQZDVXGLZATRF-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC001450230026 1392529139 /nfs/dbraw/zinc/52/91/39/1392529139.db2.gz QRHLHWQOPYQWGC-UHFFFAOYSA-N 0 0 337.339 2.512 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1nc2ccccc2o1 ZINC001450511924 1392634368 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EFBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cnc2n[nH]cc2c1 ZINC001454438265 1393026924 /nfs/dbraw/zinc/02/69/24/1393026924.db2.gz HRKNHQXTRDKQPO-UHFFFAOYSA-N 0 0 349.709 2.589 10 5 EFBERN Cc1ncccc1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001454537185 1393054234 /nfs/dbraw/zinc/05/42/34/1393054234.db2.gz LVEGLTZRMAKSEP-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN Cc1cc(C)c(O)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC001454600320 1393068845 /nfs/dbraw/zinc/06/88/45/1393068845.db2.gz RPPLPMPBYUVDCQ-UHFFFAOYSA-N 0 0 330.296 2.898 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)cc1[N+](=O)[O-] ZINC001454902473 1394377774 /nfs/dbraw/zinc/37/77/74/1394377774.db2.gz WOGAZNYZIQEGTL-IINYFYTJSA-N 0 0 328.372 2.609 10 5 EFBERN Cn1cc(C(F)F)c(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC001454909347 1394388692 /nfs/dbraw/zinc/38/86/92/1394388692.db2.gz OIELEOOZDICADK-UHFFFAOYSA-N 0 0 344.705 2.849 10 5 EFBERN C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ccnn1C ZINC001454968685 1394487503 /nfs/dbraw/zinc/48/75/03/1394487503.db2.gz JPAAJANQDFEWRE-ZETCQYMHSA-N 0 0 326.715 2.612 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2cc(F)cc(OC(F)F)c2)c1[N+](=O)[O-] ZINC001455005800 1394510609 /nfs/dbraw/zinc/51/06/09/1394510609.db2.gz JYJWUXIKNDLZOL-UHFFFAOYSA-N 0 0 344.249 2.873 10 5 EFBERN CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001455123021 1394561853 /nfs/dbraw/zinc/56/18/53/1394561853.db2.gz QDWUNRFJGKNDDN-CQSZACIVSA-N 0 0 342.351 2.751 10 5 EFBERN Cc1c(C(=O)NCc2nc3c(cccc3F)[nH]2)cccc1[N+](=O)[O-] ZINC001455172440 1394572718 /nfs/dbraw/zinc/57/27/18/1394572718.db2.gz KGUNZBZETFWQPJ-UHFFFAOYSA-N 0 0 328.303 2.849 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc(C3CC3)no2)c1 ZINC001455582927 1394615203 /nfs/dbraw/zinc/61/52/03/1394615203.db2.gz KHEITYSJRTWNME-UHFFFAOYSA-N 0 0 345.355 2.854 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc3c(c2)NC(=O)C3)c1F ZINC001455592326 1394619337 /nfs/dbraw/zinc/61/93/37/1394619337.db2.gz UBKYZWIOAFUGGG-UHFFFAOYSA-N 0 0 347.277 2.928 10 5 EFBERN O=C(Nc1c[nH]c2ccccc12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001456322184 1394666957 /nfs/dbraw/zinc/66/69/57/1394666957.db2.gz RWYFSCJVLDSOMJ-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN O=CNc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001456334614 1394669583 /nfs/dbraw/zinc/66/95/83/1394669583.db2.gz QXVYVGLUUYFWIY-CVEARBPZSA-N 0 0 325.324 2.905 10 5 EFBERN O=C(NCC1(C2(O)CCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001456517910 1394705721 /nfs/dbraw/zinc/70/57/21/1394705721.db2.gz MARWPABSYIZCAY-UHFFFAOYSA-N 0 0 330.340 2.766 10 5 EFBERN CC[C@@H]1CCCCCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001456631227 1394736296 /nfs/dbraw/zinc/73/62/96/1394736296.db2.gz SXQFYEQSUOZFEO-CQSZACIVSA-N 0 0 343.387 2.970 10 5 EFBERN CC[C@@H](C)n1nccc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001456645393 1394741700 /nfs/dbraw/zinc/74/17/00/1394741700.db2.gz YWFAFZNQMHSLMU-SNVBAGLBSA-N 0 0 346.343 2.801 10 5 EFBERN O=C(OCc1cnccn1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001456698074 1394769890 /nfs/dbraw/zinc/76/98/90/1394769890.db2.gz HKWTVXFJKOXHBO-UHFFFAOYSA-N 0 0 336.307 2.804 10 5 EFBERN Cc1ccc(NC(=O)c2c[nH]c(Br)c2)c(N)c1[N+](=O)[O-] ZINC001456740496 1394785656 /nfs/dbraw/zinc/78/56/56/1394785656.db2.gz HPWIBINYXLZQGK-UHFFFAOYSA-N 0 0 339.149 2.828 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C=O)cc2)c(N)c1[N+](=O)[O-] ZINC001456751359 1394790293 /nfs/dbraw/zinc/79/02/93/1394790293.db2.gz QQEWOHFUDCHHPQ-LLVKDONJSA-N 0 0 343.339 2.704 10 5 EFBERN C[C@@H](Cc1cccnc1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001457054483 1394945713 /nfs/dbraw/zinc/94/57/13/1394945713.db2.gz JERYYWLVGWIMJH-ZDUSSCGKSA-N 0 0 341.367 2.700 10 5 EFBERN C[C@H](Cc1cccnc1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001457054479 1394945816 /nfs/dbraw/zinc/94/58/16/1394945816.db2.gz JERYYWLVGWIMJH-CYBMUJFWSA-N 0 0 341.367 2.700 10 5 EFBERN O=C(c1ncnc2sccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001457169082 1395016078 /nfs/dbraw/zinc/01/60/78/1395016078.db2.gz YOUHFKPVRMIJFN-UHFFFAOYSA-N 0 0 326.337 2.756 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC001457173590 1395018637 /nfs/dbraw/zinc/01/86/37/1395018637.db2.gz OCXRSXPGCNMFSO-QMMMGPOBSA-N 0 0 336.323 2.905 10 5 EFBERN Cc1cccc(C(=O)N[C@H](CO)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC001457183025 1395024903 /nfs/dbraw/zinc/02/49/03/1395024903.db2.gz DBALAESUOQPYRV-CQSZACIVSA-N 0 0 336.294 2.645 10 5 EFBERN Nc1c(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001457199562 1395028517 /nfs/dbraw/zinc/02/85/17/1395028517.db2.gz NZXZCTYAECARNF-UONOGXRCSA-N 0 0 325.368 2.786 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)/C=C\c2ccc(C(N)=O)o2)cc1[N+](=O)[O-] ZINC001457281863 1395053789 /nfs/dbraw/zinc/05/37/89/1395053789.db2.gz BXTFVQFKLVVXFF-JYKYSHPRSA-N 0 0 344.323 2.913 10 5 EFBERN O=C(Nc1nc2c(s1)CCCC2=O)c1ccc([N+](=O)[O-])cc1F ZINC001457382975 1395091761 /nfs/dbraw/zinc/09/17/61/1395091761.db2.gz ZAFIZEBNHHMCFS-UHFFFAOYSA-N 0 0 335.316 2.962 10 5 EFBERN O=C(Nc1cccc(-n2ccnn2)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001457834264 1395352624 /nfs/dbraw/zinc/35/26/24/1395352624.db2.gz YFLGCJNCFCPLSO-DLBZAZTESA-N 0 0 349.350 2.918 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](c1ccccc1)C(F)(F)F ZINC001457837928 1395354007 /nfs/dbraw/zinc/35/40/07/1395354007.db2.gz PYRCTWNXIWMJBZ-CYBMUJFWSA-N 0 0 343.261 2.947 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCn2cncc2C1 ZINC001457894406 1395382848 /nfs/dbraw/zinc/38/28/48/1395382848.db2.gz QAUHREHVYFVHCF-NSHDSACASA-N 0 0 337.339 2.541 10 5 EFBERN C[C@@H]1CN(c2ccc(Nc3nn(C)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC001458105067 1395407547 /nfs/dbraw/zinc/40/75/47/1395407547.db2.gz AHTVDMYBTGVBNX-GHMZBOCLSA-N 0 0 349.366 2.825 10 5 EFBERN Cc1cscc1NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001458118502 1395409749 /nfs/dbraw/zinc/40/97/49/1395409749.db2.gz YDFVDYIRNLWHMK-UHFFFAOYSA-N 0 0 340.382 2.621 10 5 EFBERN NC(=O)c1cc(NC[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC001458172455 1395419674 /nfs/dbraw/zinc/41/96/74/1395419674.db2.gz LWLGWWWOFJUSIB-NSHDSACASA-N 0 0 327.340 2.672 10 5 EFBERN COc1cc(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)ccc1C ZINC001458198443 1395423514 /nfs/dbraw/zinc/42/35/14/1395423514.db2.gz OIMLGTBXQFOWKK-UHFFFAOYSA-N 0 0 329.356 2.665 10 5 EFBERN COC(=O)c1ccnc(NCc2ccc(OC)cc2F)c1[N+](=O)[O-] ZINC001458266216 1395434453 /nfs/dbraw/zinc/43/44/53/1395434453.db2.gz NTQLUVBAGVRDGW-UHFFFAOYSA-N 0 0 335.291 2.536 10 5 EFBERN CC1CCC2(CC1)OC[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])O2 ZINC001458285905 1395438794 /nfs/dbraw/zinc/43/87/94/1395438794.db2.gz KTDNDLJZDRSGJX-LOIXOFCESA-N 0 0 341.795 2.799 10 5 EFBERN COc1cc(C(F)(F)F)nc(Oc2ccc([N+](=O)[O-])c(CO)c2)n1 ZINC001458327486 1395446986 /nfs/dbraw/zinc/44/69/86/1395446986.db2.gz PLXGRASQVNITDO-UHFFFAOYSA-N 0 0 345.233 2.697 10 5 EFBERN Cc1cc(F)cc2c1CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)CC2 ZINC001458336821 1395448726 /nfs/dbraw/zinc/44/87/26/1395448726.db2.gz HKHVYTWQROQRFP-UHFFFAOYSA-N 0 0 329.331 2.704 10 5 EFBERN CO[C@](C)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC001458384580 1395458244 /nfs/dbraw/zinc/45/82/44/1395458244.db2.gz KBVFOIDELHXQAF-QGZVFWFLSA-N 0 0 329.356 2.667 10 5 EFBERN Cc1cccnc1CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458402027 1395460975 /nfs/dbraw/zinc/46/09/75/1395460975.db2.gz VYMIDSHNYXSWJI-UHFFFAOYSA-N 0 0 338.367 2.805 10 5 EFBERN Cc1cnc(CCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cn1 ZINC001458419805 1395463461 /nfs/dbraw/zinc/46/34/61/1395463461.db2.gz CRZSUDBJGYVJPX-UHFFFAOYSA-N 0 0 343.774 2.971 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2cccnc2)c2ccncc21 ZINC001458420873 1395463703 /nfs/dbraw/zinc/46/37/03/1395463703.db2.gz UOTMDJCLMGFILG-CQSZACIVSA-N 0 0 338.367 2.801 10 5 EFBERN CCC(=O)N1CC[C@H](C(=O)O[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001458460978 1395474280 /nfs/dbraw/zinc/47/42/80/1395474280.db2.gz OLPAOCWYJPEINO-ZFWWWQNUSA-N 0 0 334.372 2.848 10 5 EFBERN CS(=O)(=O)c1ccc(Oc2ccc(C=O)c(F)c2)c([N+](=O)[O-])c1 ZINC001458473824 1395476844 /nfs/dbraw/zinc/47/68/44/1395476844.db2.gz LZAFUYBVPUGFQG-UHFFFAOYSA-N 0 0 339.300 2.742 10 5 EFBERN COC(=O)c1ccnc(NCc2cc(OC)ccc2F)c1[N+](=O)[O-] ZINC001458500025 1395482714 /nfs/dbraw/zinc/48/27/14/1395482714.db2.gz KPTUIPMZRDOXSG-UHFFFAOYSA-N 0 0 335.291 2.536 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CO[C@H](C4CC4)C3)c2c1 ZINC001458524578 1395488818 /nfs/dbraw/zinc/48/88/18/1395488818.db2.gz CMWUWWRFDDAHEE-BZNIZROVSA-N 0 0 329.356 2.553 10 5 EFBERN Cc1nc([C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)c2cnn(C)c2)no1 ZINC001458530321 1395489972 /nfs/dbraw/zinc/48/99/72/1395489972.db2.gz SUQKXMNZSAYEHI-CQSZACIVSA-N 0 0 346.322 2.669 10 5 EFBERN O=C1Nc2ccccc2C[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001458534596 1395492003 /nfs/dbraw/zinc/49/20/03/1395492003.db2.gz ZZMFBNOOFSRBLY-LLVKDONJSA-N 0 0 341.352 2.575 10 5 EFBERN CCc1cc(N[C@@H](CC)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458541586 1395493611 /nfs/dbraw/zinc/49/36/11/1395493611.db2.gz BUIQNNNHKOTAFL-JSGCOSHPSA-N 0 0 344.415 2.998 10 5 EFBERN CS(=O)(=O)c1cccc(Sc2ncc([N+](=O)[O-])cc2F)c1 ZINC001458555780 1395497950 /nfs/dbraw/zinc/49/79/50/1395497950.db2.gz SHQSXMRZYFVOBZ-UHFFFAOYSA-N 0 0 328.346 2.684 10 5 EFBERN COc1ccc(CCNc2cc(F)c([N+](=O)[O-])cc2CO)cc1O ZINC001458571631 1395503742 /nfs/dbraw/zinc/50/37/42/1395503742.db2.gz YPCBJUHYUUTCQA-UHFFFAOYSA-N 0 0 336.319 2.595 10 5 EFBERN CC[C@@H](OC(=O)COCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC001458573350 1395505646 /nfs/dbraw/zinc/50/56/46/1395505646.db2.gz WKZZPDUUBXSLCG-OAHLLOKOSA-N 0 0 333.344 2.539 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@H](O)c1cncs1 ZINC001458585991 1395511566 /nfs/dbraw/zinc/51/15/66/1395511566.db2.gz HIHBLKJNBNRFTQ-JTQLQIEISA-N 0 0 344.190 2.959 10 5 EFBERN CCN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001458588431 1395513165 /nfs/dbraw/zinc/51/31/65/1395513165.db2.gz COFXLOZEJRBINK-ZDUSSCGKSA-N 0 0 336.392 2.826 10 5 EFBERN NC(=O)c1cc(NCC[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC001458592577 1395515195 /nfs/dbraw/zinc/51/51/95/1395515195.db2.gz JFEUGELPSUKEQP-SKDRFNHKSA-N 0 0 347.293 2.606 10 5 EFBERN O=[N+]([O-])c1ccc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc1 ZINC001458596860 1395516374 /nfs/dbraw/zinc/51/63/74/1395516374.db2.gz BOZRGWPMHMLCJX-UHFFFAOYSA-N 0 0 342.315 2.819 10 5 EFBERN CCN(C(=O)CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC001458599328 1395517122 /nfs/dbraw/zinc/51/71/22/1395517122.db2.gz CIBRJMIEMWGOAF-UHFFFAOYSA-N 0 0 339.355 2.708 10 5 EFBERN C[C@H]1Cc2n[nH]cc2CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001458600497 1395517986 /nfs/dbraw/zinc/51/79/86/1395517986.db2.gz HPMHUOGTKYIZPJ-QMMMGPOBSA-N 0 0 341.293 2.931 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)ncn3C)c1 ZINC001458615259 1395522598 /nfs/dbraw/zinc/52/25/98/1395522598.db2.gz OEWDKNUBWCCMFM-UHFFFAOYSA-N 0 0 340.339 2.880 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001458616141 1395522611 /nfs/dbraw/zinc/52/26/11/1395522611.db2.gz HECRHKOIGLVYCI-ZJUUUORDSA-N 0 0 349.774 2.972 10 5 EFBERN C[C@@H]1C[C@]2(CC[C@@H](CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])O2)CO1 ZINC001458617813 1395523155 /nfs/dbraw/zinc/52/31/55/1395523155.db2.gz DZNNPGQUJOXGPL-JRPNMDOOSA-N 0 0 337.332 2.642 10 5 EFBERN CC(=O)c1ccc(N2CCC(Cc3noc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC001458629950 1395527773 /nfs/dbraw/zinc/52/77/73/1395527773.db2.gz JCUYYEXUAKBFNL-UHFFFAOYSA-N 0 0 344.371 2.948 10 5 EFBERN C[C@@H](c1ccccc1)[C@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001458633682 1395530136 /nfs/dbraw/zinc/53/01/36/1395530136.db2.gz QNXJHZWOKYLNDV-SWLSCSKDSA-N 0 0 340.383 2.861 10 5 EFBERN CC(C)c1nc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c[nH]1 ZINC001458644434 1395536146 /nfs/dbraw/zinc/53/61/46/1395536146.db2.gz XBAMGCRMRZTSOF-UHFFFAOYSA-N 0 0 343.387 2.946 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@@]3(C=Cc4ccccc4O3)C2)n1 ZINC001458665256 1395544629 /nfs/dbraw/zinc/54/46/29/1395544629.db2.gz RISZKKJMSUEQRX-QGZVFWFLSA-N 0 0 326.356 2.773 10 5 EFBERN Nc1nc(N[C@H](Cc2ccccc2)c2ccccn2)ncc1[N+](=O)[O-] ZINC001458683779 1395548979 /nfs/dbraw/zinc/54/89/79/1395548979.db2.gz WHJBASQAQIJRQU-CQSZACIVSA-N 0 0 336.355 2.758 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001458718313 1395561161 /nfs/dbraw/zinc/56/11/61/1395561161.db2.gz PPPMFGVZYRUEFO-JTQLQIEISA-N 0 0 339.396 2.528 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001458718314 1395561576 /nfs/dbraw/zinc/56/15/76/1395561576.db2.gz PPPMFGVZYRUEFO-SNVBAGLBSA-N 0 0 339.396 2.528 10 5 EFBERN COC(=O)c1ccc(OC(=O)/C=C(/C)c2ccco2)cc1[N+](=O)[O-] ZINC001458738648 1395567482 /nfs/dbraw/zinc/56/74/82/1395567482.db2.gz RWZKPARXASJLEU-NTMALXAHSA-N 0 0 331.280 2.983 10 5 EFBERN C[C@@H](Oc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001458810215 1395603721 /nfs/dbraw/zinc/60/37/21/1395603721.db2.gz MJXIEYZBUOAZIN-LLVKDONJSA-N 0 0 338.323 2.944 10 5 EFBERN Cc1nn(C)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001458816889 1395607663 /nfs/dbraw/zinc/60/76/63/1395607663.db2.gz XQNKTMJVDSPSNO-UHFFFAOYSA-N 0 0 339.355 2.675 10 5 EFBERN Cc1cc(NC(=O)c2cc3cccn3cn2)c2cc([N+](=O)[O-])ccc2n1 ZINC001458826473 1395611362 /nfs/dbraw/zinc/61/13/62/1395611362.db2.gz SDIQJUSYXCIGLX-UHFFFAOYSA-N 0 0 347.334 2.773 10 5 EFBERN CC(=O)Nc1cccnc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001458840049 1395615618 /nfs/dbraw/zinc/61/56/18/1395615618.db2.gz DRIHHEUBUFQBLO-UHFFFAOYSA-N 0 0 332.291 2.648 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cnnc2)cc1 ZINC001458889655 1395632806 /nfs/dbraw/zinc/63/28/06/1395632806.db2.gz DMNIMVWJHJKTLP-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN CO[C@H](Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)c1ccc(F)cc1 ZINC001458895227 1395634970 /nfs/dbraw/zinc/63/49/70/1395634970.db2.gz GBGBTYILKGFHOQ-MRXNPFEDSA-N 0 0 343.314 2.832 10 5 EFBERN CC(C)COC(=O)N(C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001458944163 1395652483 /nfs/dbraw/zinc/65/24/83/1395652483.db2.gz PGSJZAAXNYVHLC-UHFFFAOYSA-N 0 0 333.348 2.535 10 5 EFBERN O=c1c([N+](=O)[O-])cccn1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001458951798 1395655251 /nfs/dbraw/zinc/65/52/51/1395655251.db2.gz ZFYRKGHWMYKZIK-LBPRGKRZSA-N 0 0 329.139 2.797 10 5 EFBERN COc1ccc(OC(=O)Cn2nc(C)cc2C(F)F)cc1[N+](=O)[O-] ZINC001458972569 1395662041 /nfs/dbraw/zinc/66/20/41/1395662041.db2.gz JURZIYANJRKZRW-UHFFFAOYSA-N 0 0 341.270 2.652 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1Cn1nnnc1/C=C\c1ccccc1 ZINC001458991230 1395668665 /nfs/dbraw/zinc/66/86/65/1395668665.db2.gz CFFUTOTUEBSQON-TWGQIWQCSA-N 0 0 325.303 2.939 10 5 EFBERN CC(=O)c1cccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)c1 ZINC001459071551 1395698690 /nfs/dbraw/zinc/69/86/90/1395698690.db2.gz IEHPXDQLEYAZMT-UHFFFAOYSA-N 0 0 329.337 2.617 10 5 EFBERN C[C@H]1CCCCCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001459182037 1395748211 /nfs/dbraw/zinc/74/82/11/1395748211.db2.gz IDYRZMADADIFSP-LBPRGKRZSA-N 0 0 329.360 2.580 10 5 EFBERN O=[N+]([O-])c1ccc(OCCSCC[S@](=O)C(F)(F)F)cc1 ZINC001459202514 1395755142 /nfs/dbraw/zinc/75/51/42/1395755142.db2.gz NFVRRMGNWNIUEO-NRFANRHFSA-N 0 0 343.348 2.975 10 5 EFBERN O=[N+]([O-])c1nccn1Cc1ccc([N+](=O)[O-])cc1Br ZINC001459213215 1395757257 /nfs/dbraw/zinc/75/72/57/1395757257.db2.gz LIFLVWANRBSITB-UHFFFAOYSA-N 0 0 327.094 2.510 10 5 EFBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(Cc3noc(C4CC4)n3)n2)c1 ZINC001459272540 1395780387 /nfs/dbraw/zinc/78/03/87/1395780387.db2.gz JUTYQDLBSHPJQU-UHFFFAOYSA-N 0 0 346.734 2.815 10 5 EFBERN Cc1ncc(CSCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC001459282560 1395786215 /nfs/dbraw/zinc/78/62/15/1395786215.db2.gz KYUFUKGLEZXYCY-UHFFFAOYSA-N 0 0 325.321 2.902 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc2ccccc2nc1Cl ZINC001459294814 1395789869 /nfs/dbraw/zinc/78/98/69/1395789869.db2.gz AFXGMQTUYHSGHQ-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C)c(OC)c1 ZINC001459405304 1395847727 /nfs/dbraw/zinc/84/77/27/1395847727.db2.gz DFYRJEASVKXKHM-UHFFFAOYSA-N 0 0 331.328 2.876 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[C@@H]1CCC[C@@]3(CCOC3)O1)CC2 ZINC001459862099 1395987658 /nfs/dbraw/zinc/98/76/58/1395987658.db2.gz KXNPOMJUZCLVQP-YJBOKZPZSA-N 0 0 332.400 2.994 10 5 EFBERN Cn1nc(C(F)(F)F)cc1CN1CCc2c1cccc2[N+](=O)[O-] ZINC001459887657 1395989876 /nfs/dbraw/zinc/98/98/76/1395989876.db2.gz YPSNHXSIIJAZEF-UHFFFAOYSA-N 0 0 326.278 2.910 10 5 EFBERN CCCCc1nc(C)c(CC(=O)Nc2c([N+](=O)[O-])ncn2C)s1 ZINC001460048069 1396001143 /nfs/dbraw/zinc/00/11/43/1396001143.db2.gz HBNZKQTUFXDHGJ-UHFFFAOYSA-N 0 0 337.405 2.617 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)Cc1coc2cc(Cl)ccc12 ZINC001460050886 1396001421 /nfs/dbraw/zinc/00/14/21/1396001421.db2.gz RUYVNYPKATYGPJ-UHFFFAOYSA-N 0 0 334.719 2.909 10 5 EFBERN Cc1noc(-c2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)cn2)n1 ZINC001460185206 1396011583 /nfs/dbraw/zinc/01/15/83/1396011583.db2.gz DNBUUXKRCAZJAB-UHFFFAOYSA-N 0 0 339.311 2.909 10 5 EFBERN CC(C)(C(=O)Nc1nc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC001460234749 1396014745 /nfs/dbraw/zinc/01/47/45/1396014745.db2.gz MGOMANBFDOYNRS-UHFFFAOYSA-N 0 0 334.307 2.911 10 5 EFBERN O=C(c1ccc2c(c1)COC2)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001460262617 1396016737 /nfs/dbraw/zinc/01/67/37/1396016737.db2.gz DXFBDIIODFYCDE-UHFFFAOYSA-N 0 0 328.299 2.967 10 5 EFBERN Cc1ccc(COC(=O)Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC001460287548 1396020766 /nfs/dbraw/zinc/02/07/66/1396020766.db2.gz HNJLDGVEBJMMRT-UHFFFAOYSA-N 0 0 325.324 2.837 10 5 EFBERN Cn1cc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(Cl)n1 ZINC001460450106 1396094683 /nfs/dbraw/zinc/09/46/83/1396094683.db2.gz VKCUVQWRWYMNKC-UHFFFAOYSA-N 0 0 330.127 2.992 10 5 EFBERN COC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC001460453873 1396100476 /nfs/dbraw/zinc/10/04/76/1396100476.db2.gz QLKVCUMDDAOHLT-INIZCTEOSA-N 0 0 330.340 2.607 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)c3ccc(F)cc3F)nc2c1 ZINC001460515305 1396166714 /nfs/dbraw/zinc/16/67/14/1396166714.db2.gz PCENERRBPBTRNO-HNNXBMFYSA-N 0 0 348.309 2.573 10 5 EFBERN CC(C)(C)[C@H]1CSCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460685185 1396243075 /nfs/dbraw/zinc/24/30/75/1396243075.db2.gz AQVVXJFJWFICTO-CQSZACIVSA-N 0 0 337.445 2.997 10 5 EFBERN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1c1ncccn1 ZINC001460716957 1396245790 /nfs/dbraw/zinc/24/57/90/1396245790.db2.gz MLQQTLZYFFCJDF-OAHLLOKOSA-N 0 0 328.372 2.991 10 5 EFBERN C[C@@H]1CC[C@@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)O1 ZINC001460727618 1396246747 /nfs/dbraw/zinc/24/67/47/1396246747.db2.gz MSCRGWSWVXSRIN-PWSUYJOCSA-N 0 0 329.356 2.628 10 5 EFBERN CN(C)c1nc2c(s1)CN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC001460718055 1396247130 /nfs/dbraw/zinc/24/71/30/1396247130.db2.gz QCSCINOWSCWANB-UHFFFAOYSA-N 0 0 336.392 2.815 10 5 EFBERN C[C@@H]1CC[C@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)O1 ZINC001460727626 1396247826 /nfs/dbraw/zinc/24/78/26/1396247826.db2.gz MSCRGWSWVXSRIN-ZYHUDNBSSA-N 0 0 329.356 2.628 10 5 EFBERN CC(C)(C)[C@H]1CNC(=O)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460830383 1396260382 /nfs/dbraw/zinc/26/03/82/1396260382.db2.gz GVTUSXNOTBOJDR-CYBMUJFWSA-N 0 0 325.796 2.595 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC001460930588 1396270324 /nfs/dbraw/zinc/27/03/24/1396270324.db2.gz GCPWBEKMZDARIF-OAHLLOKOSA-N 0 0 340.339 2.502 10 5 EFBERN O=[N+]([O-])c1ccc(CN[C@H](CO)c2cc(F)ccc2F)c(F)c1 ZINC001460948569 1396272746 /nfs/dbraw/zinc/27/27/46/1396272746.db2.gz JSCDOUXBVDTDSB-OAHLLOKOSA-N 0 0 326.274 2.835 10 5 EFBERN Cn1cncc1C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001460962325 1396275577 /nfs/dbraw/zinc/27/55/77/1396275577.db2.gz HEJJKCYWLBYBJU-UHFFFAOYSA-N 0 0 336.342 2.986 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnnn1-c1ccccc1 ZINC001461105875 1396288880 /nfs/dbraw/zinc/28/88/80/1396288880.db2.gz UGZREBJCLFJYPG-UHFFFAOYSA-N 0 0 337.339 2.747 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)nnn2C ZINC001461135883 1396292516 /nfs/dbraw/zinc/29/25/16/1396292516.db2.gz ISDMKLWHEGVPBO-UHFFFAOYSA-N 0 0 325.328 2.746 10 5 EFBERN C[C@@H](C(=O)Nc1ccc2c(c1)nnn2C)c1ccc([N+](=O)[O-])cc1F ZINC001461137725 1396292902 /nfs/dbraw/zinc/29/29/02/1396292902.db2.gz QXXFKLWBLGVDRT-SECBINFHSA-N 0 0 343.318 2.758 10 5 EFBERN Cc1c(C(=O)N[C@H]2CCc3ccccc3NC2=O)cccc1[N+](=O)[O-] ZINC001461237155 1396364337 /nfs/dbraw/zinc/36/43/37/1396364337.db2.gz AOKNLDTVKPWYMS-HNNXBMFYSA-N 0 0 339.351 2.587 10 5 EFBERN CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC001461251580 1396364512 /nfs/dbraw/zinc/36/45/12/1396364512.db2.gz SRZRZCRYBGNHJE-UHFFFAOYSA-N 0 0 333.300 2.790 10 5 EFBERN CN(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)c1ccsc1 ZINC001461299333 1396369155 /nfs/dbraw/zinc/36/91/55/1396369155.db2.gz BYFYBILQPUCPGB-UHFFFAOYSA-N 0 0 329.341 2.514 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cnc2nccnc2c1 ZINC001461448582 1396380844 /nfs/dbraw/zinc/38/08/44/1396380844.db2.gz FSCKFYIQBQBGMW-UHFFFAOYSA-N 0 0 346.306 2.734 10 5 EFBERN CCn1nc(C)cc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001461450142 1396381106 /nfs/dbraw/zinc/38/11/06/1396381106.db2.gz FMSRXDVGLJZWTN-UHFFFAOYSA-N 0 0 325.328 2.920 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cnn(CCF)c1 ZINC001461454533 1396381135 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CCOC(=O)C1(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1 ZINC001461703022 1396401013 /nfs/dbraw/zinc/40/10/13/1396401013.db2.gz BWPALSZMJLAQDX-UHFFFAOYSA-N 0 0 343.339 2.815 10 5 EFBERN Cn1nc(C(F)(F)F)cc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001461736411 1396401375 /nfs/dbraw/zinc/40/13/75/1396401375.db2.gz PYODGNQPLRYNMU-UHFFFAOYSA-N 0 0 332.213 2.739 10 5 EFBERN Cn1nc(C(F)(F)F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001461734809 1396401572 /nfs/dbraw/zinc/40/15/72/1396401572.db2.gz GCGXEFIVOAFDMU-UHFFFAOYSA-N 0 0 328.250 2.528 10 5 EFBERN Cc1cc(C)cc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC001461757458 1396402088 /nfs/dbraw/zinc/40/20/88/1396402088.db2.gz JNGUIRGIIZOCIZ-UHFFFAOYSA-N 0 0 342.351 2.913 10 5 EFBERN Cc1cc(C)cc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC001461752250 1396402324 /nfs/dbraw/zinc/40/23/24/1396402324.db2.gz AWMFCHQJYHFQPR-UHFFFAOYSA-N 0 0 328.324 2.870 10 5 EFBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1CCCCC1 ZINC001461812862 1396405937 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0 0 325.315 2.952 10 5 EFBERN O=C(NCCCN(Cc1csc([N+](=O)[O-])c1)C1CC1)c1cc[nH]c1 ZINC001479870468 1397980660 /nfs/dbraw/zinc/98/06/60/1397980660.db2.gz ZYSGQNFPDRFTOM-UHFFFAOYSA-N 0 0 348.428 2.769 10 5 EFBERN O=C(N[C@H]1CC(=O)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001546230620 1398212350 /nfs/dbraw/zinc/21/23/50/1398212350.db2.gz YKMAYCRLGJAZIN-AWEZNQCLSA-N 0 0 341.279 2.561 10 5 EFBERN Cc1occc1C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001493349416 1398632958 /nfs/dbraw/zinc/63/29/58/1398632958.db2.gz SQZSYWUJHDJJBC-UHFFFAOYSA-N 0 0 343.383 2.891 10 5 EFBERN CC1(C(=O)NCC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001494577795 1399387211 /nfs/dbraw/zinc/38/72/11/1399387211.db2.gz XZONACAYULVWME-UHFFFAOYSA-N 0 0 331.416 2.723 10 5 EFBERN Cc1cc(C)c(C(=O)NCC2(NCc3csc([N+](=O)[O-])c3)CC2)o1 ZINC001499191955 1402515555 /nfs/dbraw/zinc/51/55/55/1402515555.db2.gz KQRPIZFSEOWRDV-UHFFFAOYSA-N 0 0 349.412 2.918 10 5 EFBERN CC(C)CC(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001508188063 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1415054533 /nfs/dbraw/zinc/05/45/33/1415054533.db2.gz GDSHKQFZFIUROM-UHFFFAOYSA-N 0 0 343.368 2.851 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](CO)CC2CCCC2)c1F ZINC001556331974 1415064979 /nfs/dbraw/zinc/06/49/79/1415064979.db2.gz XEXPOFUKGPILRZ-NSHDSACASA-N 0 0 342.342 2.852 10 5 EFBERN CC[C@H](C)[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC001556395009 1415067069 /nfs/dbraw/zinc/06/70/69/1415067069.db2.gz KFAYEFIEIYRNIZ-MHTLYPKNSA-N 0 0 328.678 2.678 10 5 EFBERN CC1=C(Br)CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001556389824 1415067075 /nfs/dbraw/zinc/06/70/75/1415067075.db2.gz HBEIGVAFEDMETN-UHFFFAOYSA-N 0 0 340.177 2.692 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nccc2occc21 ZINC001556395564 1415067167 /nfs/dbraw/zinc/06/71/67/1415067167.db2.gz WLBDWVHFWVJPTH-UHFFFAOYSA-N 0 0 337.295 2.542 10 5 EFBERN CCn1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC001556395497 1415067378 /nfs/dbraw/zinc/06/73/78/1415067378.db2.gz ACDKAYAHKOUVAZ-UHFFFAOYSA-N 0 0 327.344 2.531 10 5 EFBERN COc1cc(SC)ccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001556429131 1415068886 /nfs/dbraw/zinc/06/88/86/1415068886.db2.gz XMMMQUISTCKYHU-OAHLLOKOSA-N 0 0 348.380 2.997 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1conc1C(F)(F)F ZINC001556439322 1415069634 /nfs/dbraw/zinc/06/96/34/1415069634.db2.gz LBMAXWIITPBHDU-UHFFFAOYSA-N 0 0 329.234 2.574 10 5 EFBERN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC001556531851 1415074844 /nfs/dbraw/zinc/07/48/44/1415074844.db2.gz BBUSUIVJLUUPMN-QMMMGPOBSA-N 0 0 339.273 2.827 10 5 EFBERN CCn1cc([C@@H](C)NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cn1 ZINC001556594832 1415077317 /nfs/dbraw/zinc/07/73/17/1415077317.db2.gz JJXNUASIBSYBNI-MRVPVSSYSA-N 0 0 337.767 2.538 10 5 EFBERN CCC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001556610857 1415079179 /nfs/dbraw/zinc/07/91/79/1415079179.db2.gz QDONNDZSFKLBSS-VIFPVBQESA-N 0 0 343.742 2.553 10 5 EFBERN Nc1c(C(=O)NCCC[C@H]2CCOC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001556628843 1415079577 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2.982 10 5 EFBERN O=C(NC1CC(=O)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001556733190 1415085843 /nfs/dbraw/zinc/08/58/43/1415085843.db2.gz NVENLVZEZMLQPM-UHFFFAOYSA-N 0 0 325.324 2.800 10 5 EFBERN Cc1cc(-c2ncco2)ccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001556761704 1415087296 /nfs/dbraw/zinc/08/72/96/1415087296.db2.gz LANNILLOPKKOGJ-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1c(O)cccc1Cl ZINC001556784543 1415088369 /nfs/dbraw/zinc/08/83/69/1415088369.db2.gz XFUPOLSMURUPQG-UHFFFAOYSA-N 0 0 346.730 2.942 10 5 EFBERN CC(C)(O)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC001556862501 1415092780 /nfs/dbraw/zinc/09/27/80/1415092780.db2.gz HADMFOAGKFCQRT-UHFFFAOYSA-N 0 0 325.321 2.670 10 5 EFBERN COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC001556894725 1415093877 /nfs/dbraw/zinc/09/38/77/1415093877.db2.gz SFKNGWGJMNJOFL-CYBMUJFWSA-N 0 0 327.340 2.854 10 5 EFBERN COc1ccc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1O ZINC001556904599 1415094941 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2.627 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2nsnc21 ZINC001557171989 1415109933 /nfs/dbraw/zinc/10/99/33/1415109933.db2.gz LMBFQFOJFRNVIH-UHFFFAOYSA-N 0 0 329.341 2.894 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001557172756 1415109998 /nfs/dbraw/zinc/10/99/98/1415109998.db2.gz QAKBZNLLSMWLOM-UHFFFAOYSA-N 0 0 343.265 2.641 10 5 EFBERN Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001557195103 1415111328 /nfs/dbraw/zinc/11/13/28/1415111328.db2.gz QCPPWXJXPNIRSQ-BDJLRTHQSA-N 0 0 332.331 2.894 10 5 EFBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2sc(Cl)cc2C1 ZINC001557187597 1415111387 /nfs/dbraw/zinc/11/13/87/1415111387.db2.gz NZOUSKYESXGXOL-UHFFFAOYSA-N 0 0 339.760 2.609 10 5 EFBERN Cc1ccc(-c2cc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)n[nH]2)s1 ZINC001557273270 1415116781 /nfs/dbraw/zinc/11/67/81/1415116781.db2.gz LNOARCXBRZUGGY-UHFFFAOYSA-N 0 0 344.356 2.584 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001557308378 1415119473 /nfs/dbraw/zinc/11/94/73/1415119473.db2.gz MDZXDGQYYDRVKB-SNVBAGLBSA-N 0 0 348.305 2.684 10 5 EFBERN Cc1c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cnn1-c1ccc(C)cc1 ZINC001557323972 1415120187 /nfs/dbraw/zinc/12/01/87/1415120187.db2.gz GIPVJXNGBZUWKT-UHFFFAOYSA-N 0 0 325.328 2.978 10 5 EFBERN Cc1c(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)cccc1[N+](=O)[O-] ZINC001557345919 1415121912 /nfs/dbraw/zinc/12/19/12/1415121912.db2.gz YCRZVNVMOINOLM-ZBEGNZNMSA-N 0 0 332.331 2.894 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001557413371 1415124106 /nfs/dbraw/zinc/12/41/06/1415124106.db2.gz LVBPPBSNMPQSHP-UHFFFAOYSA-N 0 0 335.247 2.674 10 5 EFBERN CNc1ccc(C(=O)Nc2cc3oc(=O)[nH]c3cc2F)cc1[N+](=O)[O-] ZINC001557435768 1415125831 /nfs/dbraw/zinc/12/58/31/1415125831.db2.gz MSMZLHQZALSEGQ-UHFFFAOYSA-N 0 0 346.274 2.875 10 5 EFBERN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)OC)c1 ZINC001557632481 1415135066 /nfs/dbraw/zinc/13/50/66/1415135066.db2.gz QCUINAJNIMKWPV-MRXNPFEDSA-N 0 0 348.330 2.860 10 5 EFBERN CN(CC1=CCSC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001557631997 1415135275 /nfs/dbraw/zinc/13/52/75/1415135275.db2.gz NZYQXEASESNSBA-UHFFFAOYSA-N 0 0 326.805 2.922 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2nc(F)ccc21 ZINC001557698328 1415138845 /nfs/dbraw/zinc/13/88/45/1415138845.db2.gz WRFWLRMRAQXBGK-UHFFFAOYSA-N 0 0 326.287 2.813 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001557841639 1415147607 /nfs/dbraw/zinc/14/76/07/1415147607.db2.gz MOAKJVAOMBBPMY-LLVKDONJSA-N 0 0 349.350 2.971 10 5 EFBERN CC1(C)CC[C@@H](O)[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC001557857907 1415148262 /nfs/dbraw/zinc/14/82/62/1415148262.db2.gz NISUDRYTHHVKMC-GDBMZVCRSA-N 0 0 347.415 2.839 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(O)(c2ccccc2)C1 ZINC001557902959 1415150539 /nfs/dbraw/zinc/15/05/39/1415150539.db2.gz YAQVIVNUEOPFTP-UHFFFAOYSA-N 0 0 344.392 2.660 10 5 EFBERN Cc1ccc(CNC(=O)[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001557986280 1415153582 /nfs/dbraw/zinc/15/35/82/1415153582.db2.gz YRTPRQCPEIEVIS-OAHLLOKOSA-N 0 0 334.759 2.906 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1-c1ccc(F)cc1 ZINC001557993045 1415154371 /nfs/dbraw/zinc/15/43/71/1415154371.db2.gz ZVQYVRZGDZPERI-UHFFFAOYSA-N 0 0 341.302 2.754 10 5 EFBERN C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001558067167 1415157684 /nfs/dbraw/zinc/15/76/84/1415157684.db2.gz AZZFPOFXYGBLLF-QFYYESIMSA-N 0 0 341.323 2.647 10 5 EFBERN O=C(N[C@@H]1CCCn2nccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001558070894 1415158241 /nfs/dbraw/zinc/15/82/41/1415158241.db2.gz ZJKCXPGQXUOJCX-CQSZACIVSA-N 0 0 325.328 2.538 10 5 EFBERN C[C@H](C(=O)NCCCN(C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC001558090412 1415159203 /nfs/dbraw/zinc/15/92/03/1415159203.db2.gz AUETXFRYTIGEOK-AWEZNQCLSA-N 0 0 342.399 2.736 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1CCC2(COC2)CC1 ZINC001558098771 1415160230 /nfs/dbraw/zinc/16/02/30/1415160230.db2.gz HNKAYLSEESUDJZ-UHFFFAOYSA-N 0 0 338.791 2.866 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001558122451 1415161226 /nfs/dbraw/zinc/16/12/26/1415161226.db2.gz VBIAKMZBGSFCHS-UHFFFAOYSA-N 0 0 333.294 2.654 10 5 EFBERN O=C(CCCCCO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001558128019 1415161553 /nfs/dbraw/zinc/16/15/53/1415161553.db2.gz GNFVWWJKPQDRKE-UHFFFAOYSA-N 0 0 345.193 2.526 10 5 EFBERN O=C(NOc1ccccc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001558226911 1415166882 /nfs/dbraw/zinc/16/68/82/1415166882.db2.gz OPILINMBQHDXFN-UHFFFAOYSA-N 0 0 342.286 2.643 10 5 EFBERN C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001558302728 1415171166 /nfs/dbraw/zinc/17/11/66/1415171166.db2.gz GFFLROOCLKQYCP-SNVBAGLBSA-N 0 0 328.328 2.576 10 5 EFBERN Cc1cc(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)[nH]1 ZINC001558316158 1415172192 /nfs/dbraw/zinc/17/21/92/1415172192.db2.gz VCEYKWZKTWLYCU-UHFFFAOYSA-N 0 0 341.371 2.779 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001558327556 1415173733 /nfs/dbraw/zinc/17/37/33/1415173733.db2.gz YBKHALLCHYZABF-IAQYHMDHSA-N 0 0 349.293 2.518 10 5 EFBERN CN(C(=O)C1CC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC001558443574 1415180071 /nfs/dbraw/zinc/18/00/71/1415180071.db2.gz ZTJCCODVRORNPT-UHFFFAOYSA-N 0 0 328.328 2.548 10 5 EFBERN O=C(N=[S@]1(=O)CCc2ccccc21)c1cc(F)ccc1[N+](=O)[O-] ZINC001558469516 1415181850 /nfs/dbraw/zinc/18/18/50/1415181850.db2.gz NYWOPCAJWCJIMC-QHCPKHFHSA-N 0 0 334.328 2.957 10 5 EFBERN CN(C)c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001558493403 1415182968 /nfs/dbraw/zinc/18/29/68/1415182968.db2.gz QGTCGTDJDUESAV-UHFFFAOYSA-N 0 0 343.265 2.655 10 5 EFBERN Cc1ccc(NCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)nc1 ZINC001558488773 1415183023 /nfs/dbraw/zinc/18/30/23/1415183023.db2.gz NTUWLIFBEDBMOY-UHFFFAOYSA-N 0 0 339.355 2.621 10 5 EFBERN CCc1onc(C)c1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001558513162 1415184283 /nfs/dbraw/zinc/18/42/83/1415184283.db2.gz DPKKOLBCDWZFPH-UHFFFAOYSA-N 0 0 328.328 2.865 10 5 EFBERN CCc1onc(C)c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001558514915 1415184368 /nfs/dbraw/zinc/18/43/68/1415184368.db2.gz VQTPYTZFYGOOHO-UHFFFAOYSA-N 0 0 328.328 2.865 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC001558548038 1415187758 /nfs/dbraw/zinc/18/77/58/1415187758.db2.gz XDRMQACUPBWZHK-UHFFFAOYSA-N 0 0 345.315 2.985 10 5 EFBERN Cc1cc(C)c(CC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001558603376 1415191956 /nfs/dbraw/zinc/19/19/56/1415191956.db2.gz OZSOFOGZTPEGFV-GFCCVEGCSA-N 0 0 343.383 2.775 10 5 EFBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001558615761 1415192616 /nfs/dbraw/zinc/19/26/16/1415192616.db2.gz DBLKITWCKILABM-BHYGNILZSA-N 0 0 330.384 2.665 10 5 EFBERN O=C(NCC1(C2(O)CCC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001558609374 1415192757 /nfs/dbraw/zinc/19/27/57/1415192757.db2.gz FKACTPYNTJIBBQ-UHFFFAOYSA-N 0 0 345.399 2.594 10 5 EFBERN O=C(N[C@@H]1CCc2cc(F)ccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558673752 1415193987 /nfs/dbraw/zinc/19/39/87/1415193987.db2.gz QBHQMULYUROVBE-CVEARBPZSA-N 0 0 330.315 2.571 10 5 EFBERN Cc1ccc(NC(=O)c2ocnc2C(F)(F)F)c(N)c1[N+](=O)[O-] ZINC001558676805 1415194580 /nfs/dbraw/zinc/19/45/80/1415194580.db2.gz QYXGFEHVGCAZQN-UHFFFAOYSA-N 0 0 330.222 2.745 10 5 EFBERN CC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1O ZINC001558677029 1415194626 /nfs/dbraw/zinc/19/46/26/1415194626.db2.gz ZUVGQRNPQKCSFO-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)[C@H](C)O ZINC001558686036 1415195141 /nfs/dbraw/zinc/19/51/41/1415195141.db2.gz IMHBXUYLSJLPQK-ZJUUUORDSA-N 0 0 344.795 2.539 10 5 EFBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1Cc2cccc(Cl)c2C1 ZINC001558697417 1415196343 /nfs/dbraw/zinc/19/63/43/1415196343.db2.gz VJDBGWHXFPJLNT-OAHLLOKOSA-N 0 0 332.743 2.824 10 5 EFBERN O=C(NCc1ccc2nonc2c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001558719273 1415197473 /nfs/dbraw/zinc/19/74/73/1415197473.db2.gz LVBKAQMEOZYTCO-UHFFFAOYSA-N 0 0 337.295 2.542 10 5 EFBERN C[S@@](=O)(=NC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001558770516 1415200532 /nfs/dbraw/zinc/20/05/32/1415200532.db2.gz GPUQOHPGOSZNTM-QHCPKHFHSA-N 0 0 337.332 2.613 10 5 EFBERN O=C(NOCCOc1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001558778094 1415201229 /nfs/dbraw/zinc/20/12/29/1415201229.db2.gz PKELQYLINDDCTE-UHFFFAOYSA-N 0 0 341.323 2.817 10 5 EFBERN Cc1cc(NC(=O)[C@]2(O)CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC001558808571 1415203446 /nfs/dbraw/zinc/20/34/46/1415203446.db2.gz PEDUXNXHEHHQCI-SFHVURJKSA-N 0 0 326.352 2.762 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)CCC2CCCC2)cc([N+](=O)[O-])c1 ZINC001558807794 1415203582 /nfs/dbraw/zinc/20/35/82/1415203582.db2.gz SMZHDWUMBSHCPB-UHFFFAOYSA-N 0 0 333.388 2.928 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001558808744 1415203604 /nfs/dbraw/zinc/20/36/04/1415203604.db2.gz SQQFWUNOWYTZPA-KBPBESRZSA-N 0 0 325.368 2.786 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cc(-c2cccnc2)[nH]n1 ZINC001558827805 1415204907 /nfs/dbraw/zinc/20/49/07/1415204907.db2.gz NYWQZKWHDSYIDX-UHFFFAOYSA-N 0 0 341.302 2.700 10 5 EFBERN O=C(NC[C@@H](O)c1cccc(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001558919106 1415210879 /nfs/dbraw/zinc/21/08/79/1415210879.db2.gz AVZZCTCIAUIIJJ-CQSZACIVSA-N 0 0 338.722 2.851 10 5 EFBERN CCCc1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC001558926863 1415211663 /nfs/dbraw/zinc/21/16/63/1415211663.db2.gz YRCZUAMVHCPHAY-UHFFFAOYSA-N 0 0 342.315 2.573 10 5 EFBERN COC(=O)Cc1ccc(NCc2cn3ccsc3n2)c([N+](=O)[O-])c1 ZINC001559057960 1415221277 /nfs/dbraw/zinc/22/12/77/1415221277.db2.gz UNFTYYLUIPJYFZ-UHFFFAOYSA-N 0 0 346.368 2.632 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCNc2ccccn2)cc1C ZINC001559055130 1415221576 /nfs/dbraw/zinc/22/15/76/1415221576.db2.gz ZLXFXUMXBFTKOC-UHFFFAOYSA-N 0 0 344.371 2.999 10 5 EFBERN COc1cc(Nc2c(Cl)cncc2[N+](=O)[O-])ccc1NC(C)=O ZINC001559073225 1415223050 /nfs/dbraw/zinc/22/30/50/1415223050.db2.gz OMSVFZFPAYMAAT-UHFFFAOYSA-N 0 0 336.735 2.776 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1cc(C(N)=O)nc(Cl)n1 ZINC001559105842 1415224065 /nfs/dbraw/zinc/22/40/65/1415224065.db2.gz DORARJICCXCXPV-UHFFFAOYSA-N 0 0 343.126 2.891 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NC[C@H](O)c1ccccc1Cl ZINC001559110474 1415224293 /nfs/dbraw/zinc/22/42/93/1415224293.db2.gz CPZKNMOICXCAGU-LBPRGKRZSA-N 0 0 328.155 2.864 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@](C)(O)CSC)cc1C ZINC001559115388 1415224845 /nfs/dbraw/zinc/22/48/45/1415224845.db2.gz VQCAEYXEGQFYHS-HNNXBMFYSA-N 0 0 342.417 2.606 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1 ZINC001559117550 1415225125 /nfs/dbraw/zinc/22/51/25/1415225125.db2.gz NCNDDXLHAXFQPN-SECBINFHSA-N 0 0 328.781 2.621 10 5 EFBERN NC(=O)C[C@H]1CCCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001559128082 1415225971 /nfs/dbraw/zinc/22/59/71/1415225971.db2.gz HPJDDGDRADNAHU-SNVBAGLBSA-N 0 0 348.790 2.888 10 5 EFBERN COC[C@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001559123919 1415226031 /nfs/dbraw/zinc/22/60/31/1415226031.db2.gz BMQCQXINSNJKMY-LBPRGKRZSA-N 0 0 343.339 2.839 10 5 EFBERN NC(=O)c1cc(N2CCc3ccc(F)c(F)c3C2)ccc1[N+](=O)[O-] ZINC001559139984 1415226783 /nfs/dbraw/zinc/22/67/83/1415226783.db2.gz STWATXJTNNGFLE-UHFFFAOYSA-N 0 0 333.294 2.535 10 5 EFBERN Nc1ccc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cn1 ZINC001559168093 1415227560 /nfs/dbraw/zinc/22/75/60/1415227560.db2.gz NQWPOTWVCMUWSD-UHFFFAOYSA-N 0 0 329.747 2.808 10 5 EFBERN CC[C@@H]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001559201105 1415229542 /nfs/dbraw/zinc/22/95/42/1415229542.db2.gz JRZZTXMRZXCONQ-VXGBXAGGSA-N 0 0 341.433 2.871 10 5 EFBERN CC(=O)N(c1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC001559196894 1415229549 /nfs/dbraw/zinc/22/95/49/1415229549.db2.gz ITNGGYSPQKKSCR-YGRLFVJLSA-N 0 0 329.360 2.833 10 5 EFBERN Cc1cc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc(=O)[nH]1 ZINC001559216346 1415230851 /nfs/dbraw/zinc/23/08/51/1415230851.db2.gz WNFWNBSFWHYWMO-UHFFFAOYSA-N 0 0 342.355 2.508 10 5 EFBERN COC(=O)c1ccc2[nH]c(CNc3cc(C)c([N+](=O)[O-])cn3)nc2c1 ZINC001559217033 1415231121 /nfs/dbraw/zinc/23/11/21/1415231121.db2.gz VVCYQLZKDOBGTE-UHFFFAOYSA-N 0 0 341.327 2.573 10 5 EFBERN COC(=O)Cc1ccccc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC001559222623 1415231149 /nfs/dbraw/zinc/23/11/49/1415231149.db2.gz GWBXOKYDZXVZDB-UHFFFAOYSA-N 0 0 340.339 2.570 10 5 EFBERN CCCOC(=O)C[C@@H](CNc1nn(C)cc1[N+](=O)[O-])CC(C)C ZINC001559229118 1415231946 /nfs/dbraw/zinc/23/19/46/1415231946.db2.gz AFZOLLZSULARFS-LBPRGKRZSA-N 0 0 326.397 2.746 10 5 EFBERN Cc1cc(NCc2cc(=O)n3ccccc3n2)c(F)cc1[N+](=O)[O-] ZINC001559226015 1415231953 /nfs/dbraw/zinc/23/19/53/1415231953.db2.gz JDUKSGGGDMWZJC-UHFFFAOYSA-N 0 0 328.303 2.662 10 5 EFBERN CC1(C)[C@@H](c2ccccc2)[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001559241547 1415232276 /nfs/dbraw/zinc/23/22/76/1415232276.db2.gz UVNVLJFRZDRJDB-KBPBESRZSA-N 0 0 326.356 2.693 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H](O)C12CCC2 ZINC001559237396 1415232691 /nfs/dbraw/zinc/23/26/91/1415232691.db2.gz NLLXCXXUBMTBNF-VXGBXAGGSA-N 0 0 340.763 2.750 10 5 EFBERN COC(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001559246480 1415233312 /nfs/dbraw/zinc/23/33/12/1415233312.db2.gz QYSOMMBYNMSDSP-UHFFFAOYSA-N 0 0 345.311 2.831 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N(C)C)c(F)c2)n1 ZINC001559263602 1415234311 /nfs/dbraw/zinc/23/43/11/1415234311.db2.gz ZNDVEIIPELMHKL-UHFFFAOYSA-N 0 0 334.307 2.725 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H]2CCC[C@]23CCCO3)c1[N+](=O)[O-] ZINC001559266311 1415234655 /nfs/dbraw/zinc/23/46/55/1415234655.db2.gz WPAALEHYLXGBQQ-WBMJQRKESA-N 0 0 335.360 2.598 10 5 EFBERN COc1ccc(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1O ZINC001559271763 1415235931 /nfs/dbraw/zinc/23/59/31/1415235931.db2.gz RYNFNBRPPNFGJK-UHFFFAOYSA-N 0 0 333.300 2.872 10 5 EFBERN CCOC(=O)c1ccnc(NCCn2ccnc2C(C)C)c1[N+](=O)[O-] ZINC001559283813 1415236234 /nfs/dbraw/zinc/23/62/34/1415236234.db2.gz ABJVXXCKVBZFHD-UHFFFAOYSA-N 0 0 347.375 2.599 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nc3c(s2)COCC3)c([N+](=O)[O-])c1 ZINC001559286453 1415236346 /nfs/dbraw/zinc/23/63/46/1415236346.db2.gz ZTFMBJBUHOJQBM-UHFFFAOYSA-N 0 0 336.329 2.644 10 5 EFBERN CC(C)Oc1nc(N2Cc3c[nH]nc3C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001559280446 1415236534 /nfs/dbraw/zinc/23/65/34/1415236534.db2.gz GPLLRPFXQQPBDW-LLVKDONJSA-N 0 0 331.376 2.699 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCc1c(F)cc(O)cc1F ZINC001559287362 1415236992 /nfs/dbraw/zinc/23/69/92/1415236992.db2.gz OAFIUZSCYAJRRA-UHFFFAOYSA-N 0 0 329.690 2.704 10 5 EFBERN COC(=O)c1cnc(Nc2ccc3c(c2)C[C@H](C)O3)c([N+](=O)[O-])c1 ZINC001559292442 1415237057 /nfs/dbraw/zinc/23/70/57/1415237057.db2.gz QXMOPODBPAUZHJ-VIFPVBQESA-N 0 0 329.312 2.843 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ncnc4cccc([N+](=O)[O-])c43)[C@@H]2C1 ZINC001559292350 1415237150 /nfs/dbraw/zinc/23/71/50/1415237150.db2.gz NEYAUTYRTSKSBM-UZWSLXQKSA-N 0 0 342.355 2.538 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001559291367 1415237288 /nfs/dbraw/zinc/23/72/88/1415237288.db2.gz FPXOKEPGXZWBQM-SNVBAGLBSA-N 0 0 330.344 2.695 10 5 EFBERN Cc1nc(N[C@H](CO)c2ccccc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001559287579 1415237430 /nfs/dbraw/zinc/23/74/30/1415237430.db2.gz WSHLEFYSRVWBLZ-LLVKDONJSA-N 0 0 342.277 2.858 10 5 EFBERN CCc1noc([C@H]2CC[C@H](Nc3c([N+](=O)[O-])nc(C)n3CC)C2)n1 ZINC001559294880 1415237962 /nfs/dbraw/zinc/23/79/62/1415237962.db2.gz DMPGILDCQBDICX-QWRGUYRKSA-N 0 0 334.380 2.813 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2cccnc21 ZINC001559294587 1415238076 /nfs/dbraw/zinc/23/80/76/1415238076.db2.gz RIZLUWPAQKRXOJ-AWEZNQCLSA-N 0 0 347.396 2.883 10 5 EFBERN O=c1ccnc([C@H]2CC[C@H](Nc3c(Cl)cncc3[N+](=O)[O-])CC2)[nH]1 ZINC001559301114 1415238091 /nfs/dbraw/zinc/23/80/91/1415238091.db2.gz NGWOCEJLDMOAJU-MGCOHNPYSA-N 0 0 349.778 2.699 10 5 EFBERN NS(=O)(=O)c1ccc(SCc2ccccc2F)c([N+](=O)[O-])c1 ZINC001559305543 1415238778 /nfs/dbraw/zinc/23/87/78/1415238778.db2.gz NFQAMRNDMVVVIK-UHFFFAOYSA-N 0 0 342.373 2.674 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1scnc1Cl ZINC001559337330 1415239833 /nfs/dbraw/zinc/23/98/33/1415239833.db2.gz FPHBJGYTTNAUKY-UHFFFAOYSA-N 0 0 332.790 2.987 10 5 EFBERN COC(=O)c1cc(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)[nH]1 ZINC001559344015 1415240576 /nfs/dbraw/zinc/24/05/76/1415240576.db2.gz RHHVSIVSEITMBR-UHFFFAOYSA-N 0 0 332.312 2.588 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccccc2CC(C)C)c1=O ZINC001559362271 1415241071 /nfs/dbraw/zinc/24/10/71/1415241071.db2.gz XTYNBCFWRUWJMW-UHFFFAOYSA-N 0 0 344.367 2.790 10 5 EFBERN COC(=O)c1ccc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1F ZINC001559378271 1415242173 /nfs/dbraw/zinc/24/21/73/1415242173.db2.gz VGEQHAHECFATOD-UHFFFAOYSA-N 0 0 344.302 2.622 10 5 EFBERN Cc1cc(Cn2cc([N+](=O)[O-])c(C)cc2=O)cnc1Br ZINC001559386870 1415242590 /nfs/dbraw/zinc/24/25/90/1415242590.db2.gz GJWSULPGTHTJOG-UHFFFAOYSA-N 0 0 338.161 2.579 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2coc(-c3ccccc3F)n2)c1=O ZINC001559388127 1415242683 /nfs/dbraw/zinc/24/26/83/1415242683.db2.gz ACPKKMXVSPNZGS-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCSc1nnc(Cc2ccccc2)[nH]1 ZINC001559401539 1415243191 /nfs/dbraw/zinc/24/31/91/1415243191.db2.gz AXAQXORSDSUQHE-UHFFFAOYSA-N 0 0 344.400 2.601 10 5 EFBERN CC1(C)CCC[C@@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)O1 ZINC001559402554 1415243525 /nfs/dbraw/zinc/24/35/25/1415243525.db2.gz XZKCOMQXKVBVJX-ZDUSSCGKSA-N 0 0 333.344 2.759 10 5 EFBERN Nc1nc(SCc2ccc(F)c3cccnc23)ncc1[N+](=O)[O-] ZINC001559415400 1415244275 /nfs/dbraw/zinc/24/42/75/1415244275.db2.gz RJZVNPNAUCVIDM-UHFFFAOYSA-N 0 0 331.332 2.947 10 5 EFBERN CNC(=O)c1cccc(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)c1 ZINC001559432262 1415245291 /nfs/dbraw/zinc/24/52/91/1415245291.db2.gz NXZSLGDXUDTGDM-UHFFFAOYSA-N 0 0 336.351 2.866 10 5 EFBERN Cc1ccc(-c2csc(Cn3ccc(N)c([N+](=O)[O-])c3=O)n2)cc1 ZINC001559438400 1415246044 /nfs/dbraw/zinc/24/60/44/1415246044.db2.gz METPUIARDWQFQP-UHFFFAOYSA-N 0 0 342.380 2.819 10 5 EFBERN Nn1c(Cc2ccccc2)nnc1S/C=C/c1ccc([N+](=O)[O-])o1 ZINC001559443933 1415246688 /nfs/dbraw/zinc/24/66/88/1415246688.db2.gz XREMPNWYGODNBK-CMDGGOBGSA-N 0 0 343.368 2.847 10 5 EFBERN CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC001559459809 1415247629 /nfs/dbraw/zinc/24/76/29/1415247629.db2.gz MLWAHXFBHGJVEX-UHFFFAOYSA-N 0 0 342.764 2.924 10 5 EFBERN C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1O ZINC001559706183 1415253769 /nfs/dbraw/zinc/25/37/69/1415253769.db2.gz KEUDWLYOLDLXQC-TVQRCGJNSA-N 0 0 329.194 2.560 10 5 EFBERN CCOC(=O)[C@@H](CC)N(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001559765940 1415254717 /nfs/dbraw/zinc/25/47/17/1415254717.db2.gz SROIDIAYZQSQIE-MRXNPFEDSA-N 0 0 336.388 2.780 10 5 EFBERN CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccn1 ZINC001559864187 1415258049 /nfs/dbraw/zinc/25/80/49/1415258049.db2.gz WWCWLALWKWIPNP-UHFFFAOYSA-N 0 0 334.763 2.714 10 5 EFBERN CC1(C)CC[C@H](CO)N(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001560021489 1415261094 /nfs/dbraw/zinc/26/10/94/1415261094.db2.gz LZXHLAVWVMNYIC-GFCCVEGCSA-N 0 0 346.387 2.628 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CCc4c(O)cccc4C3)nc2c1 ZINC001560049548 1415261409 /nfs/dbraw/zinc/26/14/09/1415261409.db2.gz HDKLDNUURNDHIX-UHFFFAOYSA-N 0 0 325.324 3.000 10 5 EFBERN CC(=O)c1ccc(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001560100070 1415263032 /nfs/dbraw/zinc/26/30/32/1415263032.db2.gz DHAZOYYRCONJQO-UHFFFAOYSA-N 0 0 327.340 2.533 10 5 EFBERN COC(=O)c1cc(C(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC001560118929 1415264651 /nfs/dbraw/zinc/26/46/51/1415264651.db2.gz HGTIEHMOULORBY-JTQLQIEISA-N 0 0 345.355 2.551 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc(C)o1)OC ZINC001560159247 1415265413 /nfs/dbraw/zinc/26/54/13/1415265413.db2.gz MLMUIFXDWSRENH-UHFFFAOYSA-N 0 0 349.343 2.507 10 5 EFBERN CC(C)(C)c1cc2n(n1)CCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001560196571 1415266798 /nfs/dbraw/zinc/26/67/98/1415266798.db2.gz NAPJAPBRMNWDED-UHFFFAOYSA-N 0 0 344.415 2.983 10 5 EFBERN Cc1cccnc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001560221489 1415268709 /nfs/dbraw/zinc/26/87/09/1415268709.db2.gz XFVMPHCFVRWVAK-STQMWFEESA-N 0 0 328.372 2.976 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@@H]1CCC1(F)F ZINC001561441286 1415316020 /nfs/dbraw/zinc/31/60/20/1415316020.db2.gz VFCNUXXJBLQYNS-VIFPVBQESA-N 0 0 349.311 2.551 10 5 EFBERN CC[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC001564377077 1415376242 /nfs/dbraw/zinc/37/62/42/1415376242.db2.gz ZMRYYEYSVNMTFU-XNRPHZJLSA-N 0 0 335.404 2.706 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCc2n[nH]cc21 ZINC001564445095 1415377612 /nfs/dbraw/zinc/37/76/12/1415377612.db2.gz RAKNAFUKQBKCQT-UHFFFAOYSA-N 0 0 349.778 2.676 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001564559954 1415379224 /nfs/dbraw/zinc/37/92/24/1415379224.db2.gz ZOYMHXQZQNMYHO-AWEZNQCLSA-N 0 0 341.367 2.575 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CCCC12CC2 ZINC001564658794 1415380765 /nfs/dbraw/zinc/38/07/65/1415380765.db2.gz RSWLWIBSPJEJES-LLVKDONJSA-N 0 0 343.387 2.851 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CCCC12CC2 ZINC001564658795 1415380949 /nfs/dbraw/zinc/38/09/49/1415380949.db2.gz RSWLWIBSPJEJES-NSHDSACASA-N 0 0 343.387 2.851 10 5 EFBERN CC(C)(NC(=O)NCc1cnc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001565248672 1415391674 /nfs/dbraw/zinc/39/16/74/1415391674.db2.gz BEQJPJAVODNAQX-UHFFFAOYSA-N 0 0 349.778 2.773 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC001565214295 1415391826 /nfs/dbraw/zinc/39/18/26/1415391826.db2.gz RFRWVYQERMUJGF-WFASDCNBSA-N 0 0 347.371 2.808 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC001565339747 1415393009 /nfs/dbraw/zinc/39/30/09/1415393009.db2.gz REKLTKDVAPQNFL-WQAKAFBOSA-N 0 0 343.330 2.504 10 5 EFBERN C[C@H](NC(=O)NCc1ccc2nonc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001565342383 1415393423 /nfs/dbraw/zinc/39/34/23/1415393423.db2.gz BRLLZJRAWMNASV-JTQLQIEISA-N 0 0 341.327 2.691 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001565353959 1415394240 /nfs/dbraw/zinc/39/42/40/1415394240.db2.gz ZVBFNQHORMZWFC-HQQPKKBNSA-N 0 0 329.400 2.955 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCn1ccnc1C(C)C ZINC001565649046 1415408503 /nfs/dbraw/zinc/40/85/03/1415408503.db2.gz RYKJYVDPKHZVHV-UHFFFAOYSA-N 0 0 334.351 2.792 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2cccc3cccnc32)n1 ZINC001565655695 1415409121 /nfs/dbraw/zinc/40/91/21/1415409121.db2.gz WYHFVHOGZXYIFA-UHFFFAOYSA-N 0 0 336.351 2.819 10 5 EFBERN Cc1cccc(N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC001565932695 1415453082 /nfs/dbraw/zinc/45/30/82/1415453082.db2.gz NZIVMKURKQIROL-UHFFFAOYSA-N 0 0 337.339 2.965 10 5 EFBERN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001566110513 1415516091 /nfs/dbraw/zinc/51/60/91/1415516091.db2.gz TXOBRZJXDDHHCI-GFCCVEGCSA-N 0 0 328.372 2.550 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2ncccc2N(C)C)cc1[N+](=O)[O-] ZINC001566126096 1415524902 /nfs/dbraw/zinc/52/49/02/1415524902.db2.gz FZEXOFXQXUNHAH-GFCCVEGCSA-N 0 0 328.372 2.855 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)cc1[N+](=O)[O-] ZINC001566126511 1415525162 /nfs/dbraw/zinc/52/51/62/1415525162.db2.gz SBXQLAWACOFUEJ-SNVBAGLBSA-N 0 0 342.355 2.767 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnc2c[nH]nc2c1 ZINC001566172990 1415533205 /nfs/dbraw/zinc/53/32/05/1415533205.db2.gz KPTZYZARSTVXJU-UHFFFAOYSA-N 0 0 339.355 2.619 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)n1 ZINC001566208861 1415535122 /nfs/dbraw/zinc/53/51/22/1415535122.db2.gz PHCGLYMZSQQNEG-ZFWWWQNUSA-N 0 0 331.372 2.662 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC001566307005 1415539256 /nfs/dbraw/zinc/53/92/56/1415539256.db2.gz BQIXUBSZFRVGJP-UHFFFAOYSA-N 0 0 347.758 2.791 10 5 EFBERN COc1cccc([C@@H](O)CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001566337829 1415541727 /nfs/dbraw/zinc/54/17/27/1415541727.db2.gz CYYALVWOHRNCKK-INIZCTEOSA-N 0 0 344.367 2.684 10 5 EFBERN C[C@H]1CC[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001566345169 1415541827 /nfs/dbraw/zinc/54/18/27/1415541827.db2.gz SLUGCORHHGLRMS-RYUDHWBXSA-N 0 0 329.356 2.921 10 5 EFBERN O=C(NCc1ccc(O)c(F)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001566357839 1415542298 /nfs/dbraw/zinc/54/22/98/1415542298.db2.gz NQIZLQQMUXEAJL-UONOGXRCSA-N 0 0 330.315 2.859 10 5 EFBERN COc1cc(CCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)ccc1O ZINC001566368902 1415543432 /nfs/dbraw/zinc/54/34/32/1415543432.db2.gz HCRUYZCTNWELLE-UHFFFAOYSA-N 0 0 344.367 2.898 10 5 EFBERN CC[C@@H](NC(=O)c1ccc2ncn(C)c2n1)c1cccc([N+](=O)[O-])c1 ZINC001566438427 1415546868 /nfs/dbraw/zinc/54/68/68/1415546868.db2.gz XXGXDINSIQQNMH-CYBMUJFWSA-N 0 0 339.355 2.758 10 5 EFBERN CNc1nccc(C(=O)N[C@H](C)c2cccc(F)c2F)c1[N+](=O)[O-] ZINC001566545609 1415630089 /nfs/dbraw/zinc/63/00/89/1415630089.db2.gz KYVNGESOWBUFCB-MRVPVSSYSA-N 0 0 336.298 2.801 10 5 EFBERN C[C@](CO)(NC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001587297410 1415646175 /nfs/dbraw/zinc/64/61/75/1415646175.db2.gz WRCUOFBUCPDXGN-MRXNPFEDSA-N 0 0 334.759 2.886 10 5 EFBERN CCC1(CC)[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1OC ZINC001566727197 1415747423 /nfs/dbraw/zinc/74/74/23/1415747423.db2.gz UKCIXFLWPKMYAI-KGLIPLIRSA-N 0 0 338.379 2.986 10 5 EFBERN C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001566780148 1415772744 /nfs/dbraw/zinc/77/27/44/1415772744.db2.gz CVFVNOBEBRMKSF-ZBEGNZNMSA-N 0 0 332.331 2.628 10 5 EFBERN C[C@]1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCCOC1 ZINC001566946886 1415863023 /nfs/dbraw/zinc/86/30/23/1415863023.db2.gz ATAUHMFYDRQREG-SFHVURJKSA-N 0 0 341.367 2.956 10 5 EFBERN O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC001566971447 1415883226 /nfs/dbraw/zinc/88/32/26/1415883226.db2.gz SVLWPLISLFJIRR-NSHDSACASA-N 0 0 329.234 2.771 10 5 EFBERN CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CCO1 ZINC001566996204 1415893555 /nfs/dbraw/zinc/89/35/55/1415893555.db2.gz IMQXQAVTQRPDND-MLGOLLRUSA-N 0 0 335.404 2.891 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C(F)(F)C1(O)CCCCC1 ZINC001567174651 1415969504 /nfs/dbraw/zinc/96/95/04/1415969504.db2.gz LJMNATYMNJDLSF-UHFFFAOYSA-N 0 0 342.342 2.584 10 5 EFBERN COc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c(Cl)n1 ZINC001567245746 1416013365 /nfs/dbraw/zinc/01/33/65/1416013365.db2.gz KQRMGPZYOUKEPE-UHFFFAOYSA-N 0 0 347.718 2.780 10 5 EFBERN Cc1ccsc1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001567268971 1416047716 /nfs/dbraw/zinc/04/77/16/1416047716.db2.gz IEVYVISCMUIWSK-UHFFFAOYSA-N 0 0 333.413 2.827 10 5 EFBERN CN(CCNC(=O)C(C)(C)C1CC1)Cc1csc([N+](=O)[O-])c1 ZINC001567299956 1416063222 /nfs/dbraw/zinc/06/32/22/1416063222.db2.gz WOLDMULYNVSLIP-UHFFFAOYSA-N 0 0 325.434 2.641 10 5 EFBERN CN(CCNC(=O)c1occc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC001567303012 1416064079 /nfs/dbraw/zinc/06/40/79/1416064079.db2.gz VZCKWKWNDYPLFO-UHFFFAOYSA-N 0 0 337.763 2.703 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC001567586669 1416198820 /nfs/dbraw/zinc/19/88/20/1416198820.db2.gz HKIPRICKENOATJ-LLVKDONJSA-N 0 0 330.315 2.645 10 5 EFBERN CO[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC001567618547 1416212767 /nfs/dbraw/zinc/21/27/67/1416212767.db2.gz KHICQXMQAZJTRA-QGZVFWFLSA-N 0 0 348.399 2.780 10 5 EFBERN CO[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC001567682936 1416245928 /nfs/dbraw/zinc/24/59/28/1416245928.db2.gz KEZJWIQCKXAMCO-IINYFYTJSA-N 0 0 326.780 2.674 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001567768602 1416277171 /nfs/dbraw/zinc/27/71/71/1416277171.db2.gz WLHMHHZMNADOSJ-UKRRQHHQSA-N 0 0 340.383 2.713 10 5 EFBERN CC(C)C[C@@H](CO)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001567792111 1416284655 /nfs/dbraw/zinc/28/46/55/1416284655.db2.gz WEHXJMJADGLXDZ-LBPRGKRZSA-N 0 0 328.796 2.656 10 5 EFBERN CC(C)C[C@H](CO)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001567792110 1416284840 /nfs/dbraw/zinc/28/48/40/1416284840.db2.gz WEHXJMJADGLXDZ-GFCCVEGCSA-N 0 0 328.796 2.656 10 5 EFBERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001568372499 1416497260 /nfs/dbraw/zinc/49/72/60/1416497260.db2.gz CEZWPXLXHFAHED-HWHUXHBOSA-N 0 0 347.415 2.579 10 5 EFBERN CCC/C(C)=C\C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001568391568 1416509939 /nfs/dbraw/zinc/50/99/39/1416509939.db2.gz SSHXQAWTJCYQIR-XFXZXTDPSA-N 0 0 343.387 2.813 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC001645797748 1416559961 /nfs/dbraw/zinc/55/99/61/1416559961.db2.gz YJDGAEARPOJINI-UHFFFAOYSA-N 0 0 347.302 2.663 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC(F)(F)OC(F)(F)C1 ZINC001645860924 1416575751 /nfs/dbraw/zinc/57/57/51/1416575751.db2.gz XMMUCGBQPJXJMD-ZZXKWVIFSA-N 0 0 334.225 2.652 10 5 EFBERN CCc1cccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1O ZINC001645944247 1416589586 /nfs/dbraw/zinc/58/95/86/1416589586.db2.gz TYVGRQJRHRRQDB-UHFFFAOYSA-N 0 0 344.323 2.693 10 5 EFBERN C[S@](=O)(=NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001646126468 1416617059 /nfs/dbraw/zinc/61/70/59/1416617059.db2.gz RCKBMTOBWZIREJ-OAQYLSRUSA-N 0 0 334.785 2.542 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc[nH]n1 ZINC001646146984 1416620419 /nfs/dbraw/zinc/62/04/19/1416620419.db2.gz FEYDJVIJVTWSPC-GWCFXTLKSA-N 0 0 347.400 2.557 10 5 EFBERN CCOC(=O)C1(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)CCC1 ZINC001646259827 1416639444 /nfs/dbraw/zinc/63/94/44/1416639444.db2.gz RUVFCCRVNZQOBY-UHFFFAOYSA-N 0 0 335.360 2.547 10 5 EFBERN COC(=O)C1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)CC2(CCC2)C1 ZINC001646259962 1416639664 /nfs/dbraw/zinc/63/96/64/1416639664.db2.gz SWTYNBAPJUSDGV-UHFFFAOYSA-N 0 0 347.371 2.547 10 5 EFBERN C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001646259480 1416639718 /nfs/dbraw/zinc/63/97/18/1416639718.db2.gz NBISEWVLQOKAHK-UHFFFAOYSA-N 0 0 340.339 2.862 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001683773131 1416684281 /nfs/dbraw/zinc/68/42/81/1416684281.db2.gz QFNJHSKKDYMHGB-GOSISDBHSA-N 0 0 346.431 2.863 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001684038797 1416691210 /nfs/dbraw/zinc/69/12/10/1416691210.db2.gz GMAGKTKNRZRZKU-BZNIZROVSA-N 0 0 347.346 2.828 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001684706964 1416728708 /nfs/dbraw/zinc/72/87/08/1416728708.db2.gz XGFKASSYKMEXJD-CQSZACIVSA-N 0 0 335.404 2.908 10 5 EFBERN C[C@H](NC(=O)NCc1cnc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC001684876460 1416734747 /nfs/dbraw/zinc/73/47/47/1416734747.db2.gz BADIGJXQKCFQMI-VIFPVBQESA-N 0 0 335.751 2.599 10 5 EFBERN C[C@@H](CNC(=O)NC[C@H](O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001685447229 1416763945 /nfs/dbraw/zinc/76/39/45/1416763945.db2.gz GBLPXDCVCVDQQJ-NHYWBVRUSA-N 0 0 349.412 2.793 10 5 EFBERN C[C@@H](CNC(=O)NCC1(CCO)CCCC1)c1ccccc1[N+](=O)[O-] ZINC001685448014 1416764048 /nfs/dbraw/zinc/76/40/48/1416764048.db2.gz UYPGLDOKWWHXAE-AWEZNQCLSA-N 0 0 349.431 2.940 10 5 EFBERN C[C@@H](CNC(=O)NC[C@@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001685447839 1416764189 /nfs/dbraw/zinc/76/41/89/1416764189.db2.gz RGZSODIJUULEJL-SUMWQHHRSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H](CNC(=O)NC[C@@H](O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001685447228 1416764207 /nfs/dbraw/zinc/76/42/07/1416764207.db2.gz GBLPXDCVCVDQQJ-IAQYHMDHSA-N 0 0 349.412 2.793 10 5 EFBERN CNc1cc(CNC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC001685532415 1416766420 /nfs/dbraw/zinc/76/64/20/1416766420.db2.gz PNPTXIOFDBRAJC-LBPRGKRZSA-N 0 0 343.387 2.634 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cnccn1 ZINC001685669880 1416770659 /nfs/dbraw/zinc/77/06/59/1416770659.db2.gz BMHZITSCRQEKSS-UHFFFAOYSA-N 0 0 329.360 2.505 10 5 EFBERN COc1ccncc1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001686588526 1416803561 /nfs/dbraw/zinc/80/35/61/1416803561.db2.gz QODUQVDEYQSOFL-LBPRGKRZSA-N 0 0 344.371 2.601 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001687733564 1416868791 /nfs/dbraw/zinc/86/87/91/1416868791.db2.gz SRTQMTGPRTUTBD-XJKSGUPXSA-N 0 0 349.431 2.939 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)c2ccc(F)cc2C)n1 ZINC001689819260 1417080973 /nfs/dbraw/zinc/08/09/73/1417080973.db2.gz JJVMOKMIJXDTNB-UHFFFAOYSA-N 0 0 346.362 2.612 10 5 EFBERN Cc1cnc(N(C)CCNC(=O)C2(C)C(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC001690127169 1417160133 /nfs/dbraw/zinc/16/01/33/1417160133.db2.gz FQRXGLPTPJZQNV-UHFFFAOYSA-N 0 0 348.447 2.923 10 5 EFBERN Cc1ncsc1CCC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001690213280 1417174318 /nfs/dbraw/zinc/17/43/18/1417174318.db2.gz RZFBVMSJNUWSFA-UHFFFAOYSA-N 0 0 348.428 2.545 10 5 EFBERN CN(CCNC(=O)c1cc2ccccn2c1)c1ccccc1[N+](=O)[O-] ZINC001690215014 1417175493 /nfs/dbraw/zinc/17/54/93/1417175493.db2.gz SEHYXQTVAZXSBJ-UHFFFAOYSA-N 0 0 338.367 2.714 10 5 EFBERN O=C(CCc1ccccc1)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001692256312 1417269079 /nfs/dbraw/zinc/26/90/79/1417269079.db2.gz YXTAXZQSIMVTFT-UHFFFAOYSA-N 0 0 339.395 2.528 10 5 EFBERN CCOC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001695987146 1417292019 /nfs/dbraw/zinc/29/20/19/1417292019.db2.gz RLZWYHSPXACRHK-UHFFFAOYSA-N 0 0 347.419 2.946 10 5 EFBERN CCOCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@H]1C ZINC001696412867 1417293805 /nfs/dbraw/zinc/29/38/05/1417293805.db2.gz JEFJFPPEPIVOTC-IUODEOHRSA-N 0 0 345.403 2.907 10 5 EFBERN C=C/C(C)=C\CC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001699659633 1417442003 /nfs/dbraw/zinc/44/20/03/1417442003.db2.gz AJRNBZLROYGKGP-QCDXTXTGSA-N 0 0 335.429 2.917 10 5 EFBERN C=C/C(C)=C\CC(=O)N(C)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001699718703 1417460854 /nfs/dbraw/zinc/46/08/54/1417460854.db2.gz UTURCGCXQGSUQT-ZROIWOOFSA-N 0 0 329.400 2.760 10 5 EFBERN CN(CCNC(=O)c1ccc(F)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC001713475591 1418549323 /nfs/dbraw/zinc/54/93/23/1418549323.db2.gz WEXVATUZYAXXRA-UHFFFAOYSA-N 0 0 349.337 2.735 10 5 EFBERN CN(C(=O)CCC(F)(F)F)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001716738639 1418985783 /nfs/dbraw/zinc/98/57/83/1418985783.db2.gz KRFAVSRBJPTFAM-UHFFFAOYSA-N 0 0 345.321 2.580 10 5 EFBERN COC[C@H](C)Oc1c(C(C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000165126347 1419633620 /nfs/dbraw/zinc/63/36/20/1419633620.db2.gz YNGKEGAGBHOZSK-ZETCQYMHSA-N 0 0 332.150 2.974 10 5 EFBERN CO[C@@H](C)Cn1c(C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001729829144 1426328313 /nfs/dbraw/zinc/32/83/13/1426328313.db2.gz IXROUXVXQPTWNS-LBPRGKRZSA-N 0 0 345.403 2.699 10 5 EFBERN Cc1cc[nH]c1C(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001731238200 1426346623 /nfs/dbraw/zinc/34/66/23/1426346623.db2.gz OSZUCVYOHPUOCQ-UHFFFAOYSA-N 0 0 336.417 2.545 10 5 EFBERN C[C@]1(C2CC2)COCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000890591886 713087052 /nfs/dbraw/zinc/08/70/52/713087052.db2.gz VRMBKJLWNKQMDB-LZLYRXPVSA-N 0 0 330.384 2.726 10 5 EFBERN O=c1[nH]c(N2CC[C@H](c3ccccn3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000804685043 713413952 /nfs/dbraw/zinc/41/39/52/713413952.db2.gz FUUGXSOTONNXQH-NSHDSACASA-N 0 0 337.339 2.633 10 5 EFBERN CC(=O)c1ccc(N2C[C@@H](C(F)(F)F)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000804792835 713469923 /nfs/dbraw/zinc/46/99/23/713469923.db2.gz UGYVFOYRUKWXST-OQPBUACISA-N 0 0 332.278 2.953 10 5 EFBERN CC(=O)c1ccc(N2C[C@@H](C(F)(F)F)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000804792837 713469940 /nfs/dbraw/zinc/46/99/40/713469940.db2.gz UGYVFOYRUKWXST-SDBXPKJASA-N 0 0 332.278 2.953 10 5 EFBERN Cc1ccccc1[C@@H](O)C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000804810063 713476419 /nfs/dbraw/zinc/47/64/19/713476419.db2.gz CZRGFWZJJLDTAN-INIZCTEOSA-N 0 0 328.372 2.643 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCC3(C(F)(F)F)CC3)cc2N1 ZINC000804815587 713480180 /nfs/dbraw/zinc/48/01/80/713480180.db2.gz ONOXPOPHOXODEJ-UHFFFAOYSA-N 0 0 331.250 2.680 10 5 EFBERN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)OCc1cccnc1[N+](=O)[O-] ZINC000924325556 713517984 /nfs/dbraw/zinc/51/79/84/713517984.db2.gz ZATCLLOUCNSLKJ-MNOVXSKESA-N 0 0 348.277 2.923 10 5 EFBERN O=C(COC(=O)C[C@@H]1CCCC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000924334150 713745457 /nfs/dbraw/zinc/74/54/57/713745457.db2.gz ZUIHJQACRXGYAV-JTQLQIEISA-N 0 0 342.298 2.902 10 5 EFBERN O=C(COC(=O)C[C@H]1CCCC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000924334152 713746196 /nfs/dbraw/zinc/74/61/96/713746196.db2.gz ZUIHJQACRXGYAV-SNVBAGLBSA-N 0 0 342.298 2.902 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000177642934 713823550 /nfs/dbraw/zinc/82/35/50/713823550.db2.gz YSRQAZXOYPTCIH-LLVKDONJSA-N 0 0 334.376 2.564 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CSCCS2)c1 ZINC000167339880 717937239 /nfs/dbraw/zinc/93/72/39/717937239.db2.gz YJDKKESHZKESJY-JTQLQIEISA-N 0 0 328.415 2.642 10 5 EFBERN Cc1ccc(CCC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000012936115 714035440 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EFBERN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c(O)c1 ZINC001570745143 1086495673 /nfs/dbraw/zinc/49/56/73/1086495673.db2.gz IBLSKXKGJIAXQO-UHFFFAOYSA-N 0 0 338.266 2.517 10 5 EFBERN Cc1cncc(/C=C\C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001570746783 1086495686 /nfs/dbraw/zinc/49/56/86/1086495686.db2.gz FPTOSWNKHIQCEI-IHWYPQMZSA-N 0 0 333.294 2.906 10 5 EFBERN Cn1cnc2cccc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)c21 ZINC001570747854 1086497378 /nfs/dbraw/zinc/49/73/78/1086497378.db2.gz YROWGQRAKAZIOD-UHFFFAOYSA-N 0 0 346.293 2.690 10 5 EFBERN CC(C)CCc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n[nH]1 ZINC001570765630 1086508634 /nfs/dbraw/zinc/50/86/34/1086508634.db2.gz FQJOOIUXGOECFT-UHFFFAOYSA-N 0 0 326.744 2.535 10 5 EFBERN O=C(NCC=C(Cl)Cl)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001570867934 1086577912 /nfs/dbraw/zinc/57/79/12/1086577912.db2.gz MLZRVHGUUCURPL-UHFFFAOYSA-N 0 0 342.138 2.897 10 5 EFBERN CCN1[C@H](C)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001570900286 1086600877 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COC(=O)C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C ZINC001647757100 1089874009 /nfs/dbraw/zinc/87/40/09/1089874009.db2.gz GHKKSRJZEUQKOG-AWEZNQCLSA-N 0 0 347.371 2.784 10 5 EFBERN O=C(NCC[C@H](O)C1CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001647794796 1089879490 /nfs/dbraw/zinc/87/94/90/1089879490.db2.gz TWTVKGQSVNKDPA-AWEZNQCLSA-N 0 0 347.396 2.609 10 5 EFBERN CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001647877405 1089899883 /nfs/dbraw/zinc/89/98/83/1089899883.db2.gz QORWJLUEBGRVEP-BBRMVZONSA-N 0 0 347.415 2.635 10 5 EFBERN CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001647877406 1089900623 /nfs/dbraw/zinc/90/06/23/1089900623.db2.gz QORWJLUEBGRVEP-CJNGLKHVSA-N 0 0 347.415 2.635 10 5 EFBERN O=C(NOCCOc1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001647914963 1089909273 /nfs/dbraw/zinc/90/92/73/1089909273.db2.gz GHEDXXDKSVPYCX-UHFFFAOYSA-N 0 0 341.323 2.817 10 5 EFBERN O=C(CN1CCOc2cc(F)ccc2C1)Nc1ccccc1[N+](=O)[O-] 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344.367 2.753 10 5 EFBERN Cc1[nH]nc2ncc(C(=O)NC[C@@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC001647995583 1089925159 /nfs/dbraw/zinc/92/51/59/1089925159.db2.gz SPNPFWCKDRTCMS-SNVBAGLBSA-N 0 0 339.355 2.708 10 5 EFBERN COc1c(Cl)cccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001648004903 1089927020 /nfs/dbraw/zinc/92/70/20/1089927020.db2.gz GHVRHMZYSOOZKB-UHFFFAOYSA-N 0 0 335.747 2.769 10 5 EFBERN Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001648020663 1089932611 /nfs/dbraw/zinc/93/26/11/1089932611.db2.gz AJJAJNLALNOXQY-BETUJISGSA-N 0 0 349.387 2.689 10 5 EFBERN C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCS1 ZINC001648223110 1089963357 /nfs/dbraw/zinc/96/33/57/1089963357.db2.gz BZSIKIHNSBYWOD-VHSXEESVSA-N 0 0 347.396 2.863 10 5 EFBERN C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCS1 ZINC001648223109 1089963718 /nfs/dbraw/zinc/96/37/18/1089963718.db2.gz BZSIKIHNSBYWOD-UWVGGRQHSA-N 0 0 347.396 2.863 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001648302525 1089975172 /nfs/dbraw/zinc/97/51/72/1089975172.db2.gz DIRVINACYWSJHK-SECBINFHSA-N 0 0 330.768 2.766 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001648302526 1089975547 /nfs/dbraw/zinc/97/55/47/1089975547.db2.gz DIRVINACYWSJHK-VIFPVBQESA-N 0 0 330.768 2.766 10 5 EFBERN Cc1ccc(NC(=O)CCCC(=O)OC(C)(C)C)c(N)c1[N+](=O)[O-] ZINC001648298827 1089976684 /nfs/dbraw/zinc/97/66/84/1089976684.db2.gz KTTLPMPJZCIQIE-UHFFFAOYSA-N 0 0 337.376 2.936 10 5 EFBERN CCC(=O)NC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001648324466 1089981456 /nfs/dbraw/zinc/98/14/56/1089981456.db2.gz PRHBGLMWPBEHTP-UHFFFAOYSA-N 0 0 325.796 2.739 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1CCN(CC1CC1)c1cccc(F)c1 ZINC001620499565 1090419139 /nfs/dbraw/zinc/41/91/39/1090419139.db2.gz WDGZSBYEBOUPAV-UHFFFAOYSA-N 0 0 331.347 2.812 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@]23CCOC3)c1 ZINC001620678555 1091126209 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CC[C@@H](Oc1ccccc1F)C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001583230830 1091939085 /nfs/dbraw/zinc/93/90/85/1091939085.db2.gz CVNJBNQBUDZCOM-GFCCVEGCSA-N 0 0 349.318 2.934 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1ccc(F)cc1Cl ZINC001583231427 1091939262 /nfs/dbraw/zinc/93/92/62/1091939262.db2.gz QPJMSOBWZVSKJL-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001583235280 1091940251 /nfs/dbraw/zinc/94/02/51/1091940251.db2.gz ASGJDMGPQYPJDT-GFCCVEGCSA-N 0 0 335.360 2.676 10 5 EFBERN Cc1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(C(N)=O)c1 ZINC001583269915 1091948198 /nfs/dbraw/zinc/94/81/98/1091948198.db2.gz HGEZGUYPBOEXQY-UHFFFAOYSA-N 0 0 327.340 2.871 10 5 EFBERN CC[C@H]1CCC[C@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583282895 1091952106 /nfs/dbraw/zinc/95/21/06/1091952106.db2.gz CGMWZGJSQMXKIN-JSGCOSHPSA-N 0 0 343.387 2.732 10 5 EFBERN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001583302394 1091958082 /nfs/dbraw/zinc/95/80/82/1091958082.db2.gz HFLLRHDNIMKQHH-SDDRHHMPSA-N 0 0 347.415 2.630 10 5 EFBERN CC(=O)c1nc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)sc1C ZINC001583351364 1091973220 /nfs/dbraw/zinc/97/32/20/1091973220.db2.gz HLRXKCNKARSAIL-UHFFFAOYSA-N 0 0 345.340 2.691 10 5 EFBERN CN(Cc1ccns1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001583360896 1091978016 /nfs/dbraw/zinc/97/80/16/1091978016.db2.gz DUCMCQKEABEOIG-UHFFFAOYSA-N 0 0 330.369 2.734 10 5 EFBERN CC1(C)CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001583366123 1091979761 /nfs/dbraw/zinc/97/97/61/1091979761.db2.gz KJTCYTMGFNWDHY-CQSZACIVSA-N 0 0 326.356 2.795 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001583480341 1092013218 /nfs/dbraw/zinc/01/32/18/1092013218.db2.gz LZFVPVCVRPOYDT-XHDPSFHLSA-N 0 0 340.314 2.896 10 5 EFBERN Nc1ncc(C(=O)Nc2cccc(COCC3CC3)c2)cc1[N+](=O)[O-] ZINC001583485693 1092015633 /nfs/dbraw/zinc/01/56/33/1092015633.db2.gz WEPHEDCJZDNPRJ-UHFFFAOYSA-N 0 0 342.355 2.751 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C)nc1Cl ZINC001583533207 1092029418 /nfs/dbraw/zinc/02/94/18/1092029418.db2.gz YBMIMQLYIFHZES-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN CCc1ccc(C(=O)Nc2nc3c(c(=O)[nH]2)CCCC3)cc1[N+](=O)[O-] ZINC001583641482 1092053383 /nfs/dbraw/zinc/05/33/83/1092053383.db2.gz ZBQDWVYWCCRMOR-UHFFFAOYSA-N 0 0 342.355 2.784 10 5 EFBERN COC(=O)c1ccc(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001583792040 1092069730 /nfs/dbraw/zinc/06/97/30/1092069730.db2.gz BCWZRCUZXDIDQY-GFCCVEGCSA-N 0 0 342.351 2.801 10 5 EFBERN O=C(NCC(F)(F)c1ccc(F)cc1F)c1ccc([N+](=O)[O-])o1 ZINC001583920489 1092086366 /nfs/dbraw/zinc/08/63/66/1092086366.db2.gz GRUIZKMEUCPSTM-UHFFFAOYSA-N 0 0 332.209 2.988 10 5 EFBERN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2)n[nH]1 ZINC001583924189 1092086556 /nfs/dbraw/zinc/08/65/56/1092086556.db2.gz TZIJYQMJMVCYBB-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN CC[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001583949720 1092088931 /nfs/dbraw/zinc/08/89/31/1092088931.db2.gz MBYIYOZPQOVSFW-LBPRGKRZSA-N 0 0 334.288 2.545 10 5 EFBERN C[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CCO ZINC001583948424 1092089224 /nfs/dbraw/zinc/08/92/24/1092089224.db2.gz NJFLOKVCFVLMKN-FZMZJTMJSA-N 0 0 340.807 2.800 10 5 EFBERN COc1c(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)cccc1[N+](=O)[O-] ZINC001584055187 1092104256 /nfs/dbraw/zinc/10/42/56/1092104256.db2.gz RALGBDPXOMFKBO-UHFFFAOYSA-N 0 0 339.307 2.697 10 5 EFBERN CCc1ccc2ccccc2c1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001584082181 1092107625 /nfs/dbraw/zinc/10/76/25/1092107625.db2.gz UFTBMDCURXFAPX-UHFFFAOYSA-N 0 0 338.367 2.974 10 5 EFBERN O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001584105976 1092110172 /nfs/dbraw/zinc/11/01/72/1092110172.db2.gz GOKNNOHSVLGEGW-GHMZBOCLSA-N 0 0 334.719 2.526 10 5 EFBERN Cc1ccoc1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001584153464 1092119635 /nfs/dbraw/zinc/11/96/35/1092119635.db2.gz YIRHWFDALWVLFI-UHFFFAOYSA-N 0 0 332.312 2.588 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)c1cc([N+](=O)[O-])ccc1Cl ZINC001584160806 1092121140 /nfs/dbraw/zinc/12/11/40/1092121140.db2.gz BSJRTOQWEKWCGN-UHFFFAOYSA-N 0 0 331.715 2.995 10 5 EFBERN O=C(Nc1ccc2scnc2c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001584267139 1092134872 /nfs/dbraw/zinc/13/48/72/1092134872.db2.gz LTHKNNFWVZEQMF-AWEZNQCLSA-N 0 0 329.337 2.877 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1nccn1 ZINC001584279373 1092136602 /nfs/dbraw/zinc/13/66/02/1092136602.db2.gz DSNQRCRJJYLXKZ-YFHOEESVSA-N 0 0 335.323 2.827 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC001584282469 1092137545 /nfs/dbraw/zinc/13/75/45/1092137545.db2.gz RDCCQFXNMUXPHV-UHFFFAOYSA-N 0 0 348.746 2.878 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001584351080 1092149708 /nfs/dbraw/zinc/14/97/08/1092149708.db2.gz MFEZRJOAQPTCIJ-NSHDSACASA-N 0 0 341.795 2.765 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC001584351744 1092149872 /nfs/dbraw/zinc/14/98/72/1092149872.db2.gz HNICSCUWCGJTEJ-OAHLLOKOSA-N 0 0 327.340 2.821 10 5 EFBERN CCN(C(=O)CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC001584416111 1092167170 /nfs/dbraw/zinc/16/71/70/1092167170.db2.gz LIAGIZRFKASUOW-UHFFFAOYSA-N 0 0 341.367 2.686 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)n1 ZINC001584441343 1092176677 /nfs/dbraw/zinc/17/66/77/1092176677.db2.gz ZBDHHAYXWCKEMJ-MRXNPFEDSA-N 0 0 345.399 2.720 10 5 EFBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc(Cl)n1 ZINC001584562758 1092206844 /nfs/dbraw/zinc/20/68/44/1092206844.db2.gz AAEGAEAXDBXJPK-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN Cc1ncccc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001648439560 1092216800 /nfs/dbraw/zinc/21/68/00/1092216800.db2.gz KDTIQDOVNVLLLA-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN Nc1ccc(C(=O)Nc2ccn(C3CCSCC3)n2)cc1[N+](=O)[O-] ZINC001648491577 1092223516 /nfs/dbraw/zinc/22/35/16/1092223516.db2.gz SCEFPOVVBFXIJY-UHFFFAOYSA-N 0 0 347.400 2.694 10 5 EFBERN Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC001584647581 1092232848 /nfs/dbraw/zinc/23/28/48/1092232848.db2.gz QCTHNNGWZKXEJS-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN O=C(NCC[C@H](O)C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001648571102 1092233906 /nfs/dbraw/zinc/23/39/06/1092233906.db2.gz BSIBFBFCOLVWIN-AWEZNQCLSA-N 0 0 347.396 2.609 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2nc3c(o2)CCCC3)cc1[N+](=O)[O-] ZINC001648667012 1092248851 /nfs/dbraw/zinc/24/88/51/1092248851.db2.gz AMGCPYREKFQGMV-UHFFFAOYSA-N 0 0 348.334 2.919 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(c2cnccn2)[C@@H](C)C1 ZINC001648665066 1092249550 /nfs/dbraw/zinc/24/95/50/1092249550.db2.gz HPDNEFNCXCIHJW-GJZGRUSLSA-N 0 0 341.415 2.965 10 5 EFBERN Cc1cccnc1[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001648701576 1092255558 /nfs/dbraw/zinc/25/55/58/1092255558.db2.gz MXMBDWYWZPMWGL-LBPRGKRZSA-N 0 0 339.355 2.525 10 5 EFBERN C[C@H]1OCC[C@@]1(C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001584721594 1092260375 /nfs/dbraw/zinc/26/03/75/1092260375.db2.gz DOKQODRMKZQELU-BMLIUANNSA-N 0 0 329.356 2.628 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccnc1F ZINC001584786418 1092286584 /nfs/dbraw/zinc/28/65/84/1092286584.db2.gz DWQGAUYNPNCQAV-UHFFFAOYSA-N 0 0 334.263 2.608 10 5 EFBERN O=C(NC[C@H]1CSc2ccccc2O1)c1ccccc1[N+](=O)[O-] ZINC001584786521 1092287080 /nfs/dbraw/zinc/28/70/80/1092287080.db2.gz GVKXDODBQHJAOD-NSHDSACASA-N 0 0 330.365 2.878 10 5 EFBERN O=C(Nc1cccc(-c2ncc[nH]2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001584874562 1092316535 /nfs/dbraw/zinc/31/65/35/1092316535.db2.gz UPLGNQCWEITYDS-HNNXBMFYSA-N 0 0 338.323 2.657 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000588482457 1092330933 /nfs/dbraw/zinc/33/09/33/1092330933.db2.gz MIASKWVESJFHIT-DYLGSBMWSA-N 0 0 346.339 2.910 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC001584973926 1092342745 /nfs/dbraw/zinc/34/27/45/1092342745.db2.gz TYRYIYXGKAYJCM-INIZCTEOSA-N 0 0 327.340 2.759 10 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/nfs/dbraw/zinc/41/85/40/1092418540.db2.gz FYEPVTONNRGAQE-GFCCVEGCSA-N 0 0 341.367 2.819 10 5 EFBERN Cc1ccc(C[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001585243473 1092418758 /nfs/dbraw/zinc/41/87/58/1092418758.db2.gz FYEPVTONNRGAQE-LBPRGKRZSA-N 0 0 341.367 2.819 10 5 EFBERN COC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC001585307920 1092442953 /nfs/dbraw/zinc/44/29/53/1092442953.db2.gz SOVVYMCETGIJGG-UHFFFAOYSA-N 0 0 332.287 2.702 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001649386231 1092446634 /nfs/dbraw/zinc/44/66/34/1092446634.db2.gz APENYLZTKRDCCM-RFGFWPKPSA-N 0 0 340.383 2.802 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCc2cccc(Cl)c2C1 ZINC001299161141 1092472648 /nfs/dbraw/zinc/47/26/48/1092472648.db2.gz YPWXCNIEFUQRQX-UHFFFAOYSA-N 0 0 341.154 2.823 10 5 EFBERN COc1cc(C(=O)NCc2c(F)cccc2OC)cc([N+](=O)[O-])c1C ZINC001585426159 1092482710 /nfs/dbraw/zinc/48/27/10/1092482710.db2.gz LJYMXMMAVFMJPV-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN CC(=O)c1cnccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001585448445 1092488152 /nfs/dbraw/zinc/48/81/52/1092488152.db2.gz GSQLXYHCJSTYRN-UHFFFAOYSA-N 0 0 339.351 2.675 10 5 EFBERN COc1ccc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001585492918 1092502379 /nfs/dbraw/zinc/50/23/79/1092502379.db2.gz MTYODYXFLJQELX-MHMFGPJMSA-N 0 0 328.368 2.888 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC001585524332 1092512792 /nfs/dbraw/zinc/51/27/92/1092512792.db2.gz WZODHIOZHMFXIF-UHFFFAOYSA-N 0 0 344.323 2.707 10 5 EFBERN COC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC001585643014 1092534032 /nfs/dbraw/zinc/53/40/32/1092534032.db2.gz QDPTTZJSRXHZKA-INIZCTEOSA-N 0 0 330.340 2.721 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC001585682252 1092543921 /nfs/dbraw/zinc/54/39/21/1092543921.db2.gz DMQOPATWNUGFIX-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN COc1ccccc1-c1cc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)on1 ZINC001585703223 1092549676 /nfs/dbraw/zinc/54/96/76/1092549676.db2.gz IGAQRXXBPDHMBT-UHFFFAOYSA-N 0 0 342.311 2.517 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001585712380 1092552898 /nfs/dbraw/zinc/55/28/98/1092552898.db2.gz OWCXWNPEYVHWDJ-UHFFFAOYSA-N 0 0 331.328 2.822 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)Oc1ccccc1Br ZINC001349806113 1092571748 /nfs/dbraw/zinc/57/17/48/1092571748.db2.gz RTHMKTGAPNZCGX-NXEZZACHSA-N 0 0 346.177 2.815 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)Oc1ccccc1Br ZINC001349806135 1092572930 /nfs/dbraw/zinc/57/29/30/1092572930.db2.gz RTHMKTGAPNZCGX-VHSXEESVSA-N 0 0 346.177 2.815 10 5 EFBERN CC[C@H]1CCCc2sc(NC(=O)Cn3cc([N+](=O)[O-])cn3)nc21 ZINC001585797782 1092576619 /nfs/dbraw/zinc/57/66/19/1092576619.db2.gz DGEUFONQZSDWEG-VIFPVBQESA-N 0 0 335.389 2.716 10 5 EFBERN CN(Cc1cnn(Cc2ccccc2)c1)c1ncc([N+](=O)[O-])s1 ZINC001649591772 1092580172 /nfs/dbraw/zinc/58/01/72/1092580172.db2.gz YXTUYUUKLGTQLU-UHFFFAOYSA-N 0 0 329.385 2.933 10 5 EFBERN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001585838363 1092592483 /nfs/dbraw/zinc/59/24/83/1092592483.db2.gz WIXRINNZVDFQQF-HNNXBMFYSA-N 0 0 344.371 2.632 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2cnc(C(F)(F)F)c(C)c2)c1[N+](=O)[O-] ZINC001585851152 1092597438 /nfs/dbraw/zinc/59/74/38/1092597438.db2.gz MHXCAPVBHJZDKJ-UHFFFAOYSA-N 0 0 343.265 2.855 10 5 EFBERN Cn1nnc2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC001585894774 1092613161 /nfs/dbraw/zinc/61/31/61/1092613161.db2.gz WHURJSNUPRWUHU-UHFFFAOYSA-N 0 0 339.355 2.793 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)cccc2F)CC1 ZINC001585929564 1092623381 /nfs/dbraw/zinc/62/33/81/1092623381.db2.gz NPYFYYAAYOTBPD-UHFFFAOYSA-N 0 0 347.321 2.835 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC001585927674 1092623751 /nfs/dbraw/zinc/62/37/51/1092623751.db2.gz HFNSMTZFAZHAAD-MKVSYHDVSA-N 0 0 332.425 2.910 10 5 EFBERN Cc1ccc(C[C@H]2CCCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001585943248 1092626025 /nfs/dbraw/zinc/62/60/25/1092626025.db2.gz RHXFEPGSJKSTCU-OAHLLOKOSA-N 0 0 340.383 2.728 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCOc1cccc(F)c1 ZINC001586016529 1092655082 /nfs/dbraw/zinc/65/50/82/1092655082.db2.gz XHBYNFUEUGMZSJ-UHFFFAOYSA-N 0 0 332.331 2.862 10 5 EFBERN Nc1c(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cccc1[N+](=O)[O-] ZINC001167550736 1092658533 /nfs/dbraw/zinc/65/85/33/1092658533.db2.gz BPAKAQLBDUXCCV-JGGQBBKZSA-N 0 0 343.770 2.899 10 5 EFBERN O=C(CSC(F)(F)F)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586033981 1092661659 /nfs/dbraw/zinc/66/16/59/1092661659.db2.gz HAPHIESJWAKHPT-UHFFFAOYSA-N 0 0 326.208 2.661 10 5 EFBERN Cc1ccc(F)cc1C(=O)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586033680 1092661862 /nfs/dbraw/zinc/66/18/62/1092661862.db2.gz BRIWJCIUMQAANQ-UHFFFAOYSA-N 0 0 348.242 2.739 10 5 EFBERN COc1cc(CC(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1C ZINC001586035022 1092662103 /nfs/dbraw/zinc/66/21/03/1092662103.db2.gz MDJSVLYMXKPQSY-UHFFFAOYSA-N 0 0 346.295 2.968 10 5 EFBERN CC(C)c1ncncc1C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586036560 1092663434 /nfs/dbraw/zinc/66/34/34/1092663434.db2.gz SMVYJMIXUMYOHL-UHFFFAOYSA-N 0 0 332.272 2.636 10 5 EFBERN Cc1nc2ccccn2c1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001586080392 1092675298 /nfs/dbraw/zinc/67/52/98/1092675298.db2.gz RSYILALDFXQNBY-UHFFFAOYSA-N 0 0 338.367 2.718 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2Cl)c1 ZINC001586262399 1092716631 /nfs/dbraw/zinc/71/66/31/1092716631.db2.gz PVJIPNOOGQPXIW-UHFFFAOYSA-N 0 0 326.765 2.956 10 5 EFBERN O=C(Nc1ccc2c(c1)CC(=O)N2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001586280619 1092718654 /nfs/dbraw/zinc/71/86/54/1092718654.db2.gz GVXOUPGDLJXRTF-GJZGRUSLSA-N 0 0 337.335 2.832 10 5 EFBERN CC(C)n1ncnc1COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001586433254 1092734645 /nfs/dbraw/zinc/73/46/45/1092734645.db2.gz ZVNLXEBHLXJBLQ-UHFFFAOYSA-N 0 0 344.371 2.932 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001586436954 1092734709 /nfs/dbraw/zinc/73/47/09/1092734709.db2.gz WLKUOMOORIACBV-CABCVRRESA-N 0 0 344.371 2.645 10 5 EFBERN CC(=O)N(CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001586467233 1092736421 /nfs/dbraw/zinc/73/64/21/1092736421.db2.gz JAVNOEBFEAFXFY-UHFFFAOYSA-N 0 0 327.340 2.895 10 5 EFBERN COC(=O)c1ccc(CC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001586467739 1092736798 /nfs/dbraw/zinc/73/67/98/1092736798.db2.gz RPFOTFHIHCPKQL-UHFFFAOYSA-N 0 0 328.324 2.871 10 5 EFBERN Cc1cc(NC(=O)c2cccc(C(=O)N(C)C)c2)cc([N+](=O)[O-])c1 ZINC001586468132 1092737122 /nfs/dbraw/zinc/73/71/22/1092737122.db2.gz YRCIYXXDRIYCGY-UHFFFAOYSA-N 0 0 327.340 2.857 10 5 EFBERN COC(=O)c1cccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001586497247 1092738910 /nfs/dbraw/zinc/73/89/10/1092738910.db2.gz LVGLORSLJQLAIU-SNVBAGLBSA-N 0 0 329.312 2.519 10 5 EFBERN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(F)c1F ZINC001586516574 1092740721 /nfs/dbraw/zinc/74/07/21/1092740721.db2.gz MCOXJYPOJPMLQY-UHFFFAOYSA-N 0 0 338.241 2.625 10 5 EFBERN C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)c1ccns1 ZINC001586669061 1092749454 /nfs/dbraw/zinc/74/94/54/1092749454.db2.gz NKJXPGCYYMTLBD-RXMQYKEDSA-N 0 0 344.755 2.917 10 5 EFBERN Cc1cc(C(=O)NCCc2cn3c(cccc3C)n2)ccc1[N+](=O)[O-] ZINC001586723941 1092754669 /nfs/dbraw/zinc/75/46/69/1092754669.db2.gz BWEOEDAPRIYQEB-UHFFFAOYSA-N 0 0 338.367 2.832 10 5 EFBERN CC[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC001586754058 1092756619 /nfs/dbraw/zinc/75/66/19/1092756619.db2.gz GIXWVDBTOUJXPZ-LLVKDONJSA-N 0 0 349.265 2.893 10 5 EFBERN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCO[C@@H](CC)C1 ZINC001586877456 1092764280 /nfs/dbraw/zinc/76/42/80/1092764280.db2.gz ARQKXEIOIYPUHV-ZFWWWQNUSA-N 0 0 335.404 2.731 10 5 EFBERN O=C(Nc1cccc(CO)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001586918601 1092768443 /nfs/dbraw/zinc/76/84/43/1092768443.db2.gz HOOQFHOMPNGKAL-UHFFFAOYSA-N 0 0 338.323 2.525 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(CO)c1 ZINC001586919360 1092768678 /nfs/dbraw/zinc/76/86/78/1092768678.db2.gz OQDQWCIXJUDHSD-UHFFFAOYSA-N 0 0 328.324 2.689 10 5 EFBERN Cn1c2ccc(F)cc2nc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001586925050 1092769953 /nfs/dbraw/zinc/76/99/53/1092769953.db2.gz WMNLKYQESFKNOF-UHFFFAOYSA-N 0 0 346.293 2.941 10 5 EFBERN CN(C)c1ncccc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001587003072 1092774662 /nfs/dbraw/zinc/77/46/62/1092774662.db2.gz SGJVPCFPGMFREQ-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ncc2n1CCCC2 ZINC001586999752 1092775027 /nfs/dbraw/zinc/77/50/27/1092775027.db2.gz VTFORHQBBCDXMF-UHFFFAOYSA-N 0 0 337.339 2.928 10 5 EFBERN CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001587003129 1092775235 /nfs/dbraw/zinc/77/52/35/1092775235.db2.gz URHOKYXJYLIPPI-BONVTDFDSA-N 0 0 344.371 2.632 10 5 EFBERN Cc1cc(Cl)c(C(=O)Nc2cnc3nccn3c2)cc1[N+](=O)[O-] ZINC001587088420 1092781972 /nfs/dbraw/zinc/78/19/72/1092781972.db2.gz DEAVYWXILWEQFO-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2ccoc2C(C)C)cc1[N+](=O)[O-] ZINC001587091973 1092782322 /nfs/dbraw/zinc/78/23/22/1092782322.db2.gz XQKGVOPTEDLEBN-UHFFFAOYSA-N 0 0 346.339 2.933 10 5 EFBERN C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC001587128812 1092784577 /nfs/dbraw/zinc/78/45/77/1092784577.db2.gz QHIMOHKRGGVNPY-UHFFFAOYSA-N 0 0 327.296 2.677 10 5 EFBERN COc1cc(OC)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C=O ZINC001587135176 1092786348 /nfs/dbraw/zinc/78/63/48/1092786348.db2.gz WWHONCUVVOSROY-UHFFFAOYSA-N 0 0 344.323 2.985 10 5 EFBERN O=C(CSCc1cccnc1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587144935 1092787220 /nfs/dbraw/zinc/78/72/20/1092787220.db2.gz YRKFWPFHGURRGQ-UHFFFAOYSA-N 0 0 349.324 2.737 10 5 EFBERN COc1cccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n1 ZINC001587179581 1092790280 /nfs/dbraw/zinc/79/02/80/1092790280.db2.gz UBZDZHUPUVFKIA-UHFFFAOYSA-N 0 0 349.368 2.981 10 5 EFBERN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587270591 1092796656 /nfs/dbraw/zinc/79/66/56/1092796656.db2.gz BDFBDTJESKVTJN-HUUCEWRRSA-N 0 0 349.343 2.581 10 5 EFBERN C[C@H](O)c1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001587328110 1092801360 /nfs/dbraw/zinc/80/13/60/1092801360.db2.gz BQZRBDVAENSOJU-NSHDSACASA-N 0 0 332.331 2.646 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2nc(F)ccc21 ZINC001587343397 1092803484 /nfs/dbraw/zinc/80/34/84/1092803484.db2.gz CKGLBKHYOAVYOI-UHFFFAOYSA-N 0 0 340.314 2.673 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1c(Cl)oc2ccccc21 ZINC001587372620 1092805974 /nfs/dbraw/zinc/80/59/74/1092805974.db2.gz AWKBQCSGARANBP-UHFFFAOYSA-N 0 0 348.746 2.897 10 5 EFBERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587375570 1092808097 /nfs/dbraw/zinc/80/80/97/1092808097.db2.gz FNCUAPVYYDVZCE-RFAUZJTJSA-N 0 0 344.346 2.765 10 5 EFBERN O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001587390877 1092809417 /nfs/dbraw/zinc/80/94/17/1092809417.db2.gz PGFODXOSUUARTO-UKRRQHHQSA-N 0 0 349.350 2.742 10 5 EFBERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc21 ZINC001587423800 1092812176 /nfs/dbraw/zinc/81/21/76/1092812176.db2.gz XZFJDBGDHWIMGK-SNVBAGLBSA-N 0 0 340.339 2.712 10 5 EFBERN O=C(NCCc1ccoc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001587458506 1092813153 /nfs/dbraw/zinc/81/31/53/1092813153.db2.gz QWLXFVDXMIIYBV-UHFFFAOYSA-N 0 0 339.145 2.923 10 5 EFBERN O=C(NCC1CCCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001587509491 1092817174 /nfs/dbraw/zinc/81/71/74/1092817174.db2.gz LPJIHZPPFPMDAK-UHFFFAOYSA-N 0 0 343.387 2.876 10 5 EFBERN CN1CCc2c(NC(=O)c3csc([N+](=O)[O-])c3)cccc2C1=O ZINC001587560595 1092822817 /nfs/dbraw/zinc/82/28/17/1092822817.db2.gz WPCQGRQGXDCFDR-UHFFFAOYSA-N 0 0 331.353 2.537 10 5 EFBERN COc1ccc(/C=C/C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC001587559566 1092822839 /nfs/dbraw/zinc/82/28/39/1092822839.db2.gz CXOODDXQLIRDIM-SOFGYWHQSA-N 0 0 342.351 2.947 10 5 EFBERN C[Si](C)(C)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC001587577409 1092826411 /nfs/dbraw/zinc/82/64/11/1092826411.db2.gz ZIDFCSMHKSVDHU-UHFFFAOYSA-N 0 0 332.432 2.706 10 5 EFBERN C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC001587647093 1092836069 /nfs/dbraw/zinc/83/60/69/1092836069.db2.gz MXMAVRSEBISZSB-ZETCQYMHSA-N 0 0 338.726 2.856 10 5 EFBERN CC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1noc(C)n1 ZINC001587661196 1092839069 /nfs/dbraw/zinc/83/90/69/1092839069.db2.gz CPBSZHQQTVAADP-LBPRGKRZSA-N 0 0 348.359 2.631 10 5 EFBERN CN(Cc1nccs1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001587687048 1092840764 /nfs/dbraw/zinc/84/07/64/1092840764.db2.gz FZXITFZCBXSGMV-UHFFFAOYSA-N 0 0 343.368 2.714 10 5 EFBERN COCCN(CC(C)C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001587745443 1092846612 /nfs/dbraw/zinc/84/66/12/1092846612.db2.gz MFJQCNTUXNSGHM-UHFFFAOYSA-N 0 0 328.796 2.922 10 5 EFBERN Cc1cc2nc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc(Cl)n2n1 ZINC001587751196 1092848429 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10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc3cnccc3o2)c1 ZINC001588002426 1092882931 /nfs/dbraw/zinc/88/29/31/1092882931.db2.gz WHTFRFSVFBFFEO-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN CN(Cc1nc2ccccc2[nH]1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001588056657 1092887079 /nfs/dbraw/zinc/88/70/79/1092887079.db2.gz LFTZGZPJKCUCHB-UHFFFAOYSA-N 0 0 328.303 2.882 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCCn2nccc21 ZINC001588164747 1092899005 /nfs/dbraw/zinc/89/90/05/1092899005.db2.gz WHHTZRBGJFODAD-LBPRGKRZSA-N 0 0 334.763 2.639 10 5 EFBERN Cc1ccc([C@@H]2CCCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001588167859 1092899609 /nfs/dbraw/zinc/89/96/09/1092899609.db2.gz ITTZPIUCSJCZFN-AWEZNQCLSA-N 0 0 326.356 2.858 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001588217653 1092904737 /nfs/dbraw/zinc/90/47/37/1092904737.db2.gz GZMKERVHGGPTQV-UHFFFAOYSA-N 0 0 342.351 2.833 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1noc(C)n1 ZINC001125613081 1092968419 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C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001616653231 1099188113 /nfs/dbraw/zinc/18/81/13/1099188113.db2.gz WGBSGALDFOBONN-KWQFWETISA-N 0 0 331.294 2.980 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CSC[C@@]2(C)C1 ZINC001616692085 1099189655 /nfs/dbraw/zinc/18/96/55/1099189655.db2.gz KTWRRZAWVCJDBR-MEDUHNTESA-N 0 0 336.413 2.819 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C2 ZINC001616685881 1099189678 /nfs/dbraw/zinc/18/96/78/1099189678.db2.gz MHUWAZBVECOHOC-RMLUDKJBSA-N 0 0 328.340 2.698 10 5 EFBERN C[C@@H]1C[C@H](C)CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001616718995 1099190716 /nfs/dbraw/zinc/19/07/16/1099190716.db2.gz YNNPWRGSAWIFDO-CHWSQXEVSA-N 0 0 343.387 2.684 10 5 EFBERN CC(=O)c1cc(F)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001616833576 1099196568 /nfs/dbraw/zinc/19/65/68/1099196568.db2.gz LMTBMHKQUJSTAQ-UHFFFAOYSA-N 0 0 332.287 2.954 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCc2ccccc21 ZINC001616871017 1099199305 /nfs/dbraw/zinc/19/93/05/1099199305.db2.gz JITQAFYHNJPFRJ-MRXNPFEDSA-N 0 0 336.351 2.748 10 5 EFBERN CCN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC001616903986 1099200694 /nfs/dbraw/zinc/20/06/94/1099200694.db2.gz SMGAYUVECLKDAW-UHFFFAOYSA-N 0 0 347.400 2.736 10 5 EFBERN C[S@](=O)(=NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001616901343 1099200727 /nfs/dbraw/zinc/20/07/27/1099200727.db2.gz NBGKUNIMJKPXFU-HSZRJFAPSA-N 0 0 336.344 2.960 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N=[S@]1(=O)CCc2ccccc21 ZINC001616926639 1099201780 /nfs/dbraw/zinc/20/17/80/1099201780.db2.gz NTRSEQZOBZARNM-DEOSSOPVSA-N 0 0 348.355 2.886 10 5 EFBERN NC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCCC1 ZINC001616958925 1099203805 /nfs/dbraw/zinc/20/38/05/1099203805.db2.gz QTHLXEKJPITWEK-UHFFFAOYSA-N 0 0 339.779 2.556 10 5 EFBERN CC(C)(C)c1coc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC001617017489 1099207827 /nfs/dbraw/zinc/20/78/27/1099207827.db2.gz GOXUZAYYMRXMOV-UHFFFAOYSA-N 0 0 333.344 2.576 10 5 EFBERN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001617091015 1099211210 /nfs/dbraw/zinc/21/12/10/1099211210.db2.gz AVNHRHBDMNDWIA-HNNXBMFYSA-N 0 0 344.371 2.632 10 5 EFBERN COC(=O)C[C@@H](C)CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001617086917 1099211422 /nfs/dbraw/zinc/21/14/22/1099211422.db2.gz ZIGIKNZQBLYPIU-JTQLQIEISA-N 0 0 331.328 2.671 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001617174511 1099221501 /nfs/dbraw/zinc/22/15/01/1099221501.db2.gz VNMSBCUVVMBXBQ-AXAPSJFSSA-N 0 0 329.356 2.559 10 5 EFBERN CN1CC[C@@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001617183162 1099222702 /nfs/dbraw/zinc/22/27/02/1099222702.db2.gz OUBPCSTWMXGYQS-OAHLLOKOSA-N 0 0 340.383 2.772 10 5 EFBERN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001617184977 1099223331 /nfs/dbraw/zinc/22/33/31/1099223331.db2.gz JOUUHZWCOLUFTB-ZDUSSCGKSA-N 0 0 349.431 2.931 10 5 EFBERN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001617184966 1099223760 /nfs/dbraw/zinc/22/37/60/1099223760.db2.gz JOUUHZWCOLUFTB-CYBMUJFWSA-N 0 0 349.431 2.931 10 5 EFBERN CCCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](COC)C(=O)OCC ZINC001617197776 1099225359 /nfs/dbraw/zinc/22/53/59/1099225359.db2.gz CZTYUEBFRUSNAF-HNNXBMFYSA-N 0 0 342.367 2.524 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC001617223892 1099226965 /nfs/dbraw/zinc/22/69/65/1099226965.db2.gz FPBKOAIOFDMIMO-UHFFFAOYSA-N 0 0 332.337 2.646 10 5 EFBERN CC[C@H](C)[C@@](C)(O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001617296401 1099231555 /nfs/dbraw/zinc/23/15/55/1099231555.db2.gz ACNFDIBFYBCQAA-BONVTDFDSA-N 0 0 328.796 2.704 10 5 EFBERN CO[C@H](Cc1ccccc1)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001617311234 1099232726 /nfs/dbraw/zinc/23/27/26/1099232726.db2.gz XNOUSNPOZCHRGN-OAHLLOKOSA-N 0 0 346.295 2.666 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CC2)c2cc(F)ccc21 ZINC001617352567 1099234686 /nfs/dbraw/zinc/23/46/86/1099234686.db2.gz LEBMROPWJGGLAT-UHFFFAOYSA-N 0 0 345.378 2.728 10 5 EFBERN COc1cc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc2c1OCCO2 ZINC001617445415 1099240231 /nfs/dbraw/zinc/24/02/31/1099240231.db2.gz CQYDVYQVLOIGLH-UHFFFAOYSA-N 0 0 344.323 2.935 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c2ncnn21 ZINC001617492055 1099243387 /nfs/dbraw/zinc/24/33/87/1099243387.db2.gz IQTPXGWKBKHMON-BXKDBHETSA-N 0 0 349.778 2.595 10 5 EFBERN CC1(C)C[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC001617549927 1099245542 /nfs/dbraw/zinc/24/55/42/1099245542.db2.gz LPUWBZOJJSMXPD-SNVBAGLBSA-N 0 0 346.387 2.795 10 5 EFBERN NC(=O)c1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1[N+](=O)[O-] ZINC001617637309 1099249793 /nfs/dbraw/zinc/24/97/93/1099249793.db2.gz SDZGBMNNYAKAKH-UHFFFAOYSA-N 0 0 339.351 2.754 10 5 EFBERN NC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC001617644509 1099249852 /nfs/dbraw/zinc/24/98/52/1099249852.db2.gz FOSUXIQYIBZLBW-OLZOCXBDSA-N 0 0 331.372 2.849 10 5 EFBERN NC(=O)c1cc(NC(=O)C2(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001617645516 1099250405 /nfs/dbraw/zinc/25/04/05/1099250405.db2.gz OQXTTZZOHVRDGK-UHFFFAOYSA-N 0 0 339.351 2.655 10 5 EFBERN CC(C)(C)CC[C@@H](CO)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001617837551 1099261877 /nfs/dbraw/zinc/26/18/77/1099261877.db2.gz IBAOOHADBYGGDF-ZDUSSCGKSA-N 0 0 326.368 2.580 10 5 EFBERN COc1c(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001617971483 1099271229 /nfs/dbraw/zinc/27/12/29/1099271229.db2.gz VCCYYHSHKVJAQX-WKZPIUISSA-N 0 0 328.368 2.888 10 5 EFBERN CCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H](C)C(=O)OCC ZINC001618197788 1099284836 /nfs/dbraw/zinc/28/48/36/1099284836.db2.gz HXFJMPCOFHZJHE-SNVBAGLBSA-N 0 0 326.324 2.538 10 5 EFBERN CCc1nc(OC)ccc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC001618240757 1099286682 /nfs/dbraw/zinc/28/66/82/1099286682.db2.gz QVMXAVRMGNAKSR-UHFFFAOYSA-N 0 0 331.328 2.822 10 5 EFBERN CCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n(C)n1 ZINC001618314838 1099289895 /nfs/dbraw/zinc/28/98/95/1099289895.db2.gz PSOSFYDGTBSTOG-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN Nc1ccc(Cl)cc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001626322239 1099290587 /nfs/dbraw/zinc/29/05/87/1099290587.db2.gz USYKHWKXGUZOAU-UHFFFAOYSA-N 0 0 345.746 2.637 10 5 EFBERN Nc1nccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001618363374 1099292672 /nfs/dbraw/zinc/29/26/72/1099292672.db2.gz NKIPMFRWUYJCOQ-UHFFFAOYSA-N 0 0 340.261 2.929 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCCn1ccnc1C ZINC001618362805 1099293171 /nfs/dbraw/zinc/29/31/71/1099293171.db2.gz DORGWTIGVYLYFG-UHFFFAOYSA-N 0 0 346.387 2.709 10 5 EFBERN CCNc1ccc(C(=O)N2C[C@H]3CSC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001618470323 1099299294 /nfs/dbraw/zinc/29/92/94/1099299294.db2.gz YYWMUJIDJOZBCF-BLLLJJGKSA-N 0 0 335.429 2.852 10 5 EFBERN Cc1ccccc1N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001618486194 1099299899 /nfs/dbraw/zinc/29/98/99/1099299899.db2.gz PHXAJRLRIRGWAB-UHFFFAOYSA-N 0 0 348.380 2.583 10 5 EFBERN Nc1ncc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001618511805 1099301678 /nfs/dbraw/zinc/30/16/78/1099301678.db2.gz WZTIKAXQDKXFAA-UHFFFAOYSA-N 0 0 337.133 2.587 10 5 EFBERN O=C(NCc1ccc(OC(F)F)cn1)c1cc([N+](=O)[O-])ccc1F ZINC001618500989 1099302254 /nfs/dbraw/zinc/30/22/54/1099302254.db2.gz PTYNGXDQKVASBY-UHFFFAOYSA-N 0 0 341.245 2.660 10 5 EFBERN COc1c(C(=O)N(C)CC(F)(F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC001126038704 1099304830 /nfs/dbraw/zinc/30/48/30/1099304830.db2.gz HSEKKXIYILVZOV-UHFFFAOYSA-N 0 0 342.220 2.873 10 5 EFBERN O=C(NCc1ccc2nonc2c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001618604791 1099306349 /nfs/dbraw/zinc/30/63/49/1099306349.db2.gz WUNYAOFMRXUPTE-UONOGXRCSA-N 0 0 338.323 2.551 10 5 EFBERN COc1ccc(C(=O)Nc2ncc3c(n2)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC001618627349 1099307582 /nfs/dbraw/zinc/30/75/82/1099307582.db2.gz NNJYJZZIKKETAS-SNVBAGLBSA-N 0 0 342.355 2.771 10 5 EFBERN Cc1ccc(CC[C@H](C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)o1 ZINC001618622382 1099307858 /nfs/dbraw/zinc/30/78/58/1099307858.db2.gz RMMIEINNIQKJGM-ZETCQYMHSA-N 0 0 326.740 2.624 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cc(N(C)C)ncn2)cc1Cl ZINC001270638279 1099330414 /nfs/dbraw/zinc/33/04/14/1099330414.db2.gz MJDFWACRNISFOB-UHFFFAOYSA-N 0 0 335.751 2.665 10 5 EFBERN CC(C)[C@H]1C[C@@H](COC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000781876600 1099338621 /nfs/dbraw/zinc/33/86/21/1099338621.db2.gz BTVHGUUHDXSSTC-XJKSGUPXSA-N 0 0 337.372 2.968 10 5 EFBERN CCOC(=O)[C@@H](Cc1ccccc1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC001620478046 1099357058 /nfs/dbraw/zinc/35/70/58/1099357058.db2.gz DNZPDIBBDZKWFQ-MRXNPFEDSA-N 0 0 346.358 2.998 10 5 EFBERN Cc1nccnc1[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001620557834 1099359934 /nfs/dbraw/zinc/35/99/34/1099359934.db2.gz VVGUNESCPILZIY-SNVBAGLBSA-N 0 0 349.778 2.636 10 5 EFBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccn(C)n1 ZINC001620662651 1099369489 /nfs/dbraw/zinc/36/94/89/1099369489.db2.gz JIIPFXHDDYXRFK-NSHDSACASA-N 0 0 342.359 2.571 10 5 EFBERN CC(C)(C)[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC001620681668 1099369929 /nfs/dbraw/zinc/36/99/29/1099369929.db2.gz RKXJSTBYJPRWKD-HNNXBMFYSA-N 0 0 335.404 2.670 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2cccc(CO)c2)c([N+](=O)[O-])c1 ZINC000729469341 1099415046 /nfs/dbraw/zinc/41/50/46/1099415046.db2.gz FEQHNDOLRFPYBL-SOFGYWHQSA-N 0 0 342.351 2.885 10 5 EFBERN CCCOC1(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCCCC1 ZINC001621562812 1099427886 /nfs/dbraw/zinc/42/78/86/1099427886.db2.gz IIXMKIGTXOEXQR-UHFFFAOYSA-N 0 0 344.799 2.831 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(F)c(F)cc(F)c1F ZINC001621584947 1099430936 /nfs/dbraw/zinc/43/09/36/1099430936.db2.gz YSPOZXHGBRXZRV-UHFFFAOYSA-N 0 0 343.236 2.663 10 5 EFBERN CC(C)(NC(=O)c1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001621842124 1099453074 /nfs/dbraw/zinc/45/30/74/1099453074.db2.gz WKGYNCJAHLCVQL-UHFFFAOYSA-N 0 0 332.331 2.891 10 5 EFBERN CCc1[nH]c(=O)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001622080173 1099473426 /nfs/dbraw/zinc/47/34/26/1099473426.db2.gz JBIRFDGHQQXEMP-UHFFFAOYSA-N 0 0 341.367 2.765 10 5 EFBERN O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1F)OCc1ccccc1 ZINC001622176803 1099485937 /nfs/dbraw/zinc/48/59/37/1099485937.db2.gz XNHBVLJWEPMMNO-UHFFFAOYSA-N 0 0 346.314 2.597 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)n1 ZINC001622292924 1099498568 /nfs/dbraw/zinc/49/85/68/1099498568.db2.gz MRKRNOYHHZTVPS-NSHDSACASA-N 0 0 345.330 2.829 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC001622428909 1099511419 /nfs/dbraw/zinc/51/14/19/1099511419.db2.gz PXOBOAADEQIESH-BJOHPYRUSA-N 0 0 336.294 2.725 10 5 EFBERN COc1cccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001622527047 1099521427 /nfs/dbraw/zinc/52/14/27/1099521427.db2.gz UUARAFNXROYXJS-MRXNPFEDSA-N 0 0 348.330 2.514 10 5 EFBERN O=C(NC[C@@H](O)c1cccc(F)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001622527170 1099523317 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COc1ccccc1C[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001626524991 1099886874 /nfs/dbraw/zinc/88/68/74/1099886874.db2.gz WLMQIRBHUDTDCD-ZDUSSCGKSA-N 0 0 343.383 2.763 10 5 EFBERN O=C(Oc1ccc2c(c1)CC(=O)N2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001626551196 1099889688 /nfs/dbraw/zinc/88/96/88/1099889688.db2.gz VRACHESMBDWZCG-HUUCEWRRSA-N 0 0 338.319 2.799 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2CCc3c2cccc3Cl)cc1[N+](=O)[O-] ZINC001626635054 1099901084 /nfs/dbraw/zinc/90/10/84/1099901084.db2.gz DCESRJKUAYCNTJ-LBPRGKRZSA-N 0 0 332.747 2.643 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(N(C)C(N)=O)c1 ZINC001626669055 1099904444 /nfs/dbraw/zinc/90/44/44/1099904444.db2.gz UVGORKJKLMIHSQ-UHFFFAOYSA-N 0 0 328.328 2.670 10 5 EFBERN NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC001626763153 1099915655 /nfs/dbraw/zinc/91/56/55/1099915655.db2.gz SCJUADCBNGVNMS-UHFFFAOYSA-N 0 0 337.694 2.739 10 5 EFBERN NC(=O)c1cc(NC(=O)C2CC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC001626766704 1099915879 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O=C(Nc1ncc(CCO)s1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001629043329 1100164721 /nfs/dbraw/zinc/16/47/21/1100164721.db2.gz LYEFPSHFSOFIIR-UHFFFAOYSA-N 0 0 345.739 2.631 10 5 EFBERN Cc1c2ccccc2c(=O)oc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001629193216 1100179236 /nfs/dbraw/zinc/17/92/36/1100179236.db2.gz BOFIJAMOIBOJFZ-UHFFFAOYSA-N 0 0 339.307 2.844 10 5 EFBERN CO[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001629294458 1100191815 /nfs/dbraw/zinc/19/18/15/1100191815.db2.gz HKQMOMJNINADRN-LBPRGKRZSA-N 0 0 326.780 2.818 10 5 EFBERN O=C(NOCc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001629330045 1100198346 /nfs/dbraw/zinc/19/83/46/1100198346.db2.gz HOEJRZWXIXMZDM-UHFFFAOYSA-N 0 0 344.323 2.618 10 5 EFBERN O=C(Cc1ccc(-n2ccnc2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001629384112 1100205901 /nfs/dbraw/zinc/20/59/01/1100205901.db2.gz ATABKXDWDBBGLS-UHFFFAOYSA-N 0 0 348.362 2.912 10 5 EFBERN CCc1cccc(N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001629430641 1100211024 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/nfs/dbraw/zinc/25/64/88/1100256488.db2.gz QYXRXQQQNPYOOY-LBPRGKRZSA-N 0 0 344.367 2.973 10 5 EFBERN Cc1cc(C(=O)NC[C@H](CO)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001629941744 1100261505 /nfs/dbraw/zinc/26/15/05/1100261505.db2.gz BCYDZLUCIGXQJP-CQSZACIVSA-N 0 0 332.331 2.548 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1nc2cc(F)ccc2[nH]1 ZINC001629974187 1100264562 /nfs/dbraw/zinc/26/45/62/1100264562.db2.gz XVDZJSQMZMCXOI-UHFFFAOYSA-N 0 0 346.293 2.608 10 5 EFBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Oc1ccc(F)cc1 ZINC001630027223 1100270312 /nfs/dbraw/zinc/27/03/12/1100270312.db2.gz RAJDLLMKBAJDJA-SNVBAGLBSA-N 0 0 333.319 2.513 10 5 EFBERN O=C(NCc1nccs1)c1c(Br)cccc1[N+](=O)[O-] ZINC001630201510 1100285957 /nfs/dbraw/zinc/28/59/57/1100285957.db2.gz ODJMEJZSMKGOHI-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN C[C@H](Cc1ccccc1Cl)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001630228907 1100286848 /nfs/dbraw/zinc/28/68/48/1100286848.db2.gz OHFJUZQLIGGIRD-SSDOTTSWSA-N 0 0 343.170 2.986 10 5 EFBERN CO[C@@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC001630225411 1100287124 /nfs/dbraw/zinc/28/71/24/1100287124.db2.gz NFDTVZHWVFJZBW-GFCCVEGCSA-N 0 0 328.796 2.968 10 5 EFBERN O=C(N[C@H]1COc2ccc(Cl)cc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630302906 1100292657 /nfs/dbraw/zinc/29/26/57/1100292657.db2.gz RAARRJWIXHSLNS-ZFWWWQNUSA-N 0 0 348.742 2.532 10 5 EFBERN Cc1cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1 ZINC001630339048 1100296286 /nfs/dbraw/zinc/29/62/86/1100296286.db2.gz COTGMOYMCAEWFD-UHFFFAOYSA-N 0 0 329.356 2.598 10 5 EFBERN C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001630354069 1100297918 /nfs/dbraw/zinc/29/79/18/1100297918.db2.gz MXOIMEATRXILCZ-SECBINFHSA-N 0 0 349.774 2.897 10 5 EFBERN CN(C)c1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1C=O ZINC001630363307 1100298663 /nfs/dbraw/zinc/29/86/63/1100298663.db2.gz ILWOOZIFKUCNOB-UHFFFAOYSA-N 0 0 339.351 2.629 10 5 EFBERN COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001630360628 1100298849 /nfs/dbraw/zinc/29/88/49/1100298849.db2.gz FZZLNIRYRUBUNY-VIFPVBQESA-N 0 0 333.319 2.816 10 5 EFBERN COc1ccc(C=O)cc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001630534251 1100315303 /nfs/dbraw/zinc/31/53/03/1100315303.db2.gz KOJOQORSYQWPAX-NSHDSACASA-N 0 0 328.324 2.907 10 5 EFBERN CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)n1ccnc1 ZINC001630600265 1100320866 /nfs/dbraw/zinc/32/08/66/1100320866.db2.gz VTASYCRNFHSGDC-UHFFFAOYSA-N 0 0 328.328 2.703 10 5 EFBERN Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001630627640 1100324587 /nfs/dbraw/zinc/32/45/87/1100324587.db2.gz CGIQLJLBFIOHFZ-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001630792282 1100340165 /nfs/dbraw/zinc/34/01/65/1100340165.db2.gz CQXGCNMLGLEVPW-NXEZZACHSA-N 0 0 345.330 2.983 10 5 EFBERN O=C(Nc1ccccc1Cn1cncn1)c1cc([N+](=O)[O-])ccc1F ZINC001630800732 1100341889 /nfs/dbraw/zinc/34/18/89/1100341889.db2.gz ZUGGLNVQFGHMKJ-UHFFFAOYSA-N 0 0 341.302 2.626 10 5 EFBERN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC001630822064 1100343895 /nfs/dbraw/zinc/34/38/95/1100343895.db2.gz XQDVZKAROGOQFP-GXTWGEPZSA-N 0 0 329.331 2.910 10 5 EFBERN Cc1cc([C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C2CC2)ccc1F ZINC001630841250 1100344710 /nfs/dbraw/zinc/34/47/10/1100344710.db2.gz FIIBNSKKIUTLJC-OAHLLOKOSA-N 0 0 344.346 2.901 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(N)=S)cc1 ZINC001630886099 1100349651 /nfs/dbraw/zinc/34/96/51/1100349651.db2.gz GFVDRYSQOVXMLV-UHFFFAOYSA-N 0 0 330.369 2.523 10 5 EFBERN O=C(Cc1cccc2nsnc21)NCCc1ccc([N+](=O)[O-])cc1 ZINC001630895842 1100350999 /nfs/dbraw/zinc/35/09/99/1100350999.db2.gz KROHVUVNZFEIHX-UHFFFAOYSA-N 0 0 342.380 2.501 10 5 EFBERN O=C(Nc1ccc(Br)c(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC001630911491 1100353002 /nfs/dbraw/zinc/35/30/02/1100353002.db2.gz NTDBPELZZLCWPF-UHFFFAOYSA-N 0 0 345.540 2.986 10 5 EFBERN CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1 ZINC001631083800 1100366566 /nfs/dbraw/zinc/36/65/66/1100366566.db2.gz YVHKOLFJRFTLCQ-SNVBAGLBSA-N 0 0 347.400 2.736 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)n1 ZINC001631093943 1100369973 /nfs/dbraw/zinc/36/99/73/1100369973.db2.gz UAIKWSLPSUVMMR-CYBMUJFWSA-N 0 0 327.340 2.634 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC001126533168 1100372682 /nfs/dbraw/zinc/37/26/82/1100372682.db2.gz SEYRHCBTIDYVOE-UHFFFAOYSA-N 0 0 344.371 2.967 10 5 EFBERN C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001631151688 1100374728 /nfs/dbraw/zinc/37/47/28/1100374728.db2.gz CSNOCQKUIYFAOT-UHFFFAOYSA-N 0 0 348.447 2.761 10 5 EFBERN Cc1ccccc1[C@H](O)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001631192346 1100377408 /nfs/dbraw/zinc/37/74/08/1100377408.db2.gz KYXPYLBJBPIRSS-MRXNPFEDSA-N 0 0 332.331 2.814 10 5 EFBERN O=C(Nc1c[nH]nc1Br)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001631182599 1100377621 /nfs/dbraw/zinc/37/76/21/1100377621.db2.gz YFTUWLVYLAAIHX-UHFFFAOYSA-N 0 0 345.540 2.986 10 5 EFBERN COc1ccc(NC(=O)c2ccc(F)cc2NC(C)=O)cc1[N+](=O)[O-] ZINC001631346885 1100389444 /nfs/dbraw/zinc/38/94/44/1100389444.db2.gz AAPJRJQXRUIMRP-UHFFFAOYSA-N 0 0 347.302 2.953 10 5 EFBERN C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1CCCOC1 ZINC001631336109 1100389872 /nfs/dbraw/zinc/38/98/72/1100389872.db2.gz WVJSRSAWFQLKAS-HTQZYQBOSA-N 0 0 345.758 2.514 10 5 EFBERN COc1ccc(C(=O)NCCc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] ZINC001631431845 1100397699 /nfs/dbraw/zinc/39/76/99/1100397699.db2.gz KLGJPZTVFNMLDF-UHFFFAOYSA-N 0 0 342.351 2.779 10 5 EFBERN C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC001631430704 1100398037 /nfs/dbraw/zinc/39/80/37/1100398037.db2.gz AGQGDCVUCLQOTQ-QMMMGPOBSA-N 0 0 344.352 2.796 10 5 EFBERN COc1cc(C(=O)NC[C@H](O)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC001631461533 1100400629 /nfs/dbraw/zinc/40/06/29/1100400629.db2.gz XGQSASVZLSUDNX-HNNXBMFYSA-N 0 0 348.330 2.514 10 5 EFBERN CC(C)c1nc([C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC001631475975 1100400986 /nfs/dbraw/zinc/40/09/86/1100400986.db2.gz JOWIIKKFMJLJPH-MRVPVSSYSA-N 0 0 341.414 2.700 10 5 EFBERN Cc1c[nH]c(-c2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2)n1 ZINC001631480966 1100402699 /nfs/dbraw/zinc/40/26/99/1100402699.db2.gz OQHKCVRWQRGBQA-UHFFFAOYSA-N 0 0 340.343 2.519 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001631493917 1100403848 /nfs/dbraw/zinc/40/38/48/1100403848.db2.gz UEIYWZUHHIQOJO-QOWREQOWSA-N 0 0 336.413 2.759 10 5 EFBERN CCN1[C@H](C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001631499126 1100405125 /nfs/dbraw/zinc/40/51/25/1100405125.db2.gz SABPXVYFCMYVQK-BETUJISGSA-N 0 0 337.445 2.628 10 5 EFBERN O=C(NCc1cc2n(n1)CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001631528637 1100407362 /nfs/dbraw/zinc/40/73/62/1100407362.db2.gz QVHUSRVDQIPPPN-UHFFFAOYSA-N 0 0 340.339 2.804 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CCO)c1ccccc1 ZINC001631657755 1100416630 /nfs/dbraw/zinc/41/66/30/1100416630.db2.gz URECECGNCGSJTJ-HNNXBMFYSA-N 0 0 332.331 2.516 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc2[nH]c(=O)[nH]c21 ZINC001631718782 1100421492 /nfs/dbraw/zinc/42/14/92/1100421492.db2.gz OZUFOZHDKKYAGN-UHFFFAOYSA-N 0 0 346.730 2.760 10 5 EFBERN CN(C)c1cccnc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001631723387 1100422969 /nfs/dbraw/zinc/42/29/69/1100422969.db2.gz RASWJBLRVXGEEK-UHFFFAOYSA-N 0 0 334.763 2.639 10 5 EFBERN COc1ccc([C@@H](CO)N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001631748778 1100423564 /nfs/dbraw/zinc/42/35/64/1100423564.db2.gz DJDOFRUOSULEPA-MRXNPFEDSA-N 0 0 348.330 2.548 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC001631751488 1100425000 /nfs/dbraw/zinc/42/50/00/1100425000.db2.gz YLJPIDUOIAPNOS-SECBINFHSA-N 0 0 336.779 2.570 10 5 EFBERN CN(C)c1ccc(Cl)cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001631803175 1100429519 /nfs/dbraw/zinc/42/95/19/1100429519.db2.gz USOONXFTSGDVMD-UHFFFAOYSA-N 0 0 344.158 2.943 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC001631832588 1100431856 /nfs/dbraw/zinc/43/18/56/1100431856.db2.gz XJAKQBRALMPFCN-OAHLLOKOSA-N 0 0 345.330 2.960 10 5 EFBERN CN(CCc1ccc(Cl)cc1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001631881695 1100435302 /nfs/dbraw/zinc/43/53/02/1100435302.db2.gz LTQDXXPDCQAYIN-UHFFFAOYSA-N 0 0 334.763 2.540 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC001631990506 1100445347 /nfs/dbraw/zinc/44/53/47/1100445347.db2.gz VRFNRSMOGYGSDA-HWPZZCPQSA-N 0 0 348.330 2.594 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001631988780 1100445388 /nfs/dbraw/zinc/44/53/88/1100445388.db2.gz GNPLJCRMTZNSDN-DIFFPNOSSA-N 0 0 332.331 2.515 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001631988782 1100445601 /nfs/dbraw/zinc/44/56/01/1100445601.db2.gz GNPLJCRMTZNSDN-PIGZYNQJSA-N 0 0 332.331 2.515 10 5 EFBERN CCc1ccc(OC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(OC)c1 ZINC001632032067 1100448210 /nfs/dbraw/zinc/44/82/10/1100448210.db2.gz RNAVENOEHNVNLH-UHFFFAOYSA-N 0 0 325.708 2.762 10 5 EFBERN C[C@](CO)(NC(=O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001632074152 1100451222 /nfs/dbraw/zinc/45/12/22/1100451222.db2.gz CRHDNDLYOICCJP-MRXNPFEDSA-N 0 0 336.294 2.511 10 5 EFBERN CCCc1[nH]ccc1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001632080422 1100452269 /nfs/dbraw/zinc/45/22/69/1100452269.db2.gz FVNFZLQFOQQVCC-KRWDZBQOSA-N 0 0 331.372 2.513 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC001632136308 1100455847 /nfs/dbraw/zinc/45/58/47/1100455847.db2.gz KSHDKNWHDDIWLA-NEPJUHHUSA-N 0 0 349.387 2.538 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc2nsnc21 ZINC001632144307 1100455897 /nfs/dbraw/zinc/45/58/97/1100455897.db2.gz PVXNMUFILPNFRM-UHFFFAOYSA-N 0 0 328.353 2.572 10 5 EFBERN O=Cc1c[nH]c2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc12 ZINC001632144290 1100455941 /nfs/dbraw/zinc/45/59/41/1100455941.db2.gz PLFIUTZMAGHNIB-UHFFFAOYSA-N 0 0 337.335 2.861 10 5 EFBERN CNc1nccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c1[N+](=O)[O-] ZINC001632215540 1100460756 /nfs/dbraw/zinc/46/07/56/1100460756.db2.gz QUXRVRRMFNMHJO-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN CC(C)c1ccc2c(c1)CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)CC2 ZINC001632295732 1100465713 /nfs/dbraw/zinc/46/57/13/1100465713.db2.gz QOUQQYLCHZFDMP-UHFFFAOYSA-N 0 0 340.383 2.894 10 5 EFBERN COc1ccnc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001632434677 1100474519 /nfs/dbraw/zinc/47/45/19/1100474519.db2.gz RMXOXHROTDBNTC-UHFFFAOYSA-N 0 0 335.747 2.511 10 5 EFBERN CCc1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CCO2 ZINC001632505681 1100479584 /nfs/dbraw/zinc/47/95/84/1100479584.db2.gz BSERSKVXEZSGRW-ZDUSSCGKSA-N 0 0 343.339 2.511 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1c2ccccc2C[C@H]1CO ZINC001632534239 1100480809 /nfs/dbraw/zinc/48/08/09/1100480809.db2.gz BLYAMVBDWMSEAF-LBPRGKRZSA-N 0 0 332.743 2.812 10 5 EFBERN O=C(NOCC(F)F)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001632701056 1100493976 /nfs/dbraw/zinc/49/39/76/1100493976.db2.gz BTSZVCVUJHKBJN-UHFFFAOYSA-N 0 0 333.049 2.967 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnc([C@@H](C)O)s1)CC2 ZINC001632740374 1100498428 /nfs/dbraw/zinc/49/84/28/1100498428.db2.gz VYSFIVZEVHQTLX-SECBINFHSA-N 0 0 333.369 2.616 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc([N+](=O)[O-])cc1N)CC2 ZINC001632740089 1100498469 /nfs/dbraw/zinc/49/84/69/1100498469.db2.gz QLPXSBCJZFSMOY-UHFFFAOYSA-N 0 0 342.311 2.597 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCc2cc3cnccc3o2)c1[N+](=O)[O-] ZINC001632781340 1100501069 /nfs/dbraw/zinc/50/10/69/1100501069.db2.gz QAVXVHHVJIDNQO-UHFFFAOYSA-N 0 0 329.316 2.513 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC(=O)c2ccccc21 ZINC001632872417 1100506102 /nfs/dbraw/zinc/50/61/02/1100506102.db2.gz HBFWYXJGVQGOEA-CQSZACIVSA-N 0 0 328.299 2.720 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC001632981328 1100512610 /nfs/dbraw/zinc/51/26/10/1100512610.db2.gz AHIVGUYAGFISEN-UHFFFAOYSA-N 0 0 348.742 2.870 10 5 EFBERN CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC001633060361 1100518848 /nfs/dbraw/zinc/51/88/48/1100518848.db2.gz JCRHNXWMZMAQKV-UHFFFAOYSA-N 0 0 348.790 2.900 10 5 EFBERN O=C(NC[C@H]1CCN(CC(F)F)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633055115 1100519352 /nfs/dbraw/zinc/51/93/52/1100519352.db2.gz JBPSVVYBDXNBFA-SECBINFHSA-N 0 0 347.749 2.565 10 5 EFBERN CC[C@H](NC(=O)[C@@H](O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC001633059747 1100519489 /nfs/dbraw/zinc/51/94/89/1100519489.db2.gz YAZFLAVEWUPBAL-RDJZCZTQSA-N 0 0 344.367 2.904 10 5 EFBERN Cn1cc(CCNC(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc21 ZINC001633105617 1100523077 /nfs/dbraw/zinc/52/30/77/1100523077.db2.gz JRVROARQVHKFAI-UHFFFAOYSA-N 0 0 338.367 2.641 10 5 EFBERN O=C(N[C@H](c1cccc(Cl)c1)C(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC001633110824 1100523101 /nfs/dbraw/zinc/52/31/01/1100523101.db2.gz KNMVRMFSGFYSCJ-SECBINFHSA-N 0 0 330.678 2.708 10 5 EFBERN O=C(Nc1nccc2cc[nH]c21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001633128414 1100524118 /nfs/dbraw/zinc/52/41/18/1100524118.db2.gz JVABOZGOWTYPCB-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CCc1[nH]c(=O)c(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1C ZINC001633260304 1100531274 /nfs/dbraw/zinc/53/12/74/1100531274.db2.gz DUSIJYFKJJJCSM-UHFFFAOYSA-N 0 0 329.356 2.539 10 5 EFBERN CNc1ccc(C(=O)N[C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC001633271548 1100532634 /nfs/dbraw/zinc/53/26/34/1100532634.db2.gz JZNRWUHWOPOINO-CQSZACIVSA-N 0 0 327.340 2.759 10 5 EFBERN CNc1ccc(C(=O)N[C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC001633271547 1100532718 /nfs/dbraw/zinc/53/27/18/1100532718.db2.gz JZNRWUHWOPOINO-AWEZNQCLSA-N 0 0 327.340 2.759 10 5 EFBERN CCOC(=O)C[C@@H](C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633299584 1100534813 /nfs/dbraw/zinc/53/48/13/1100534813.db2.gz MGQKNDGKKRAPAZ-SECBINFHSA-N 0 0 328.752 2.567 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@@H]1C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC001633308940 1100535512 /nfs/dbraw/zinc/53/55/12/1100535512.db2.gz SGIZMQDZRDUHIU-JGGQBBKZSA-N 0 0 335.404 2.991 10 5 EFBERN O=Cc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC001633375004 1100538813 /nfs/dbraw/zinc/53/88/13/1100538813.db2.gz OGSMBBOPQITKBC-UHFFFAOYSA-N 0 0 328.259 2.675 10 5 EFBERN O=C(Nc1cnc2nccn2c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001633453106 1100542232 /nfs/dbraw/zinc/54/22/32/1100542232.db2.gz NNTQFBRJOISNSL-UHFFFAOYSA-N 0 0 335.682 2.682 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc2c(c1)NC(=O)CC2 ZINC001633564415 1100551070 /nfs/dbraw/zinc/55/10/70/1100551070.db2.gz FPBSMNBJPVLOTE-UHFFFAOYSA-N 0 0 343.314 2.800 10 5 EFBERN CC1(C)CC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)O1 ZINC001633607711 1100554044 /nfs/dbraw/zinc/55/40/44/1100554044.db2.gz JHETYHPSSICJNH-SSDOTTSWSA-N 0 0 345.758 2.657 10 5 EFBERN Cc1nnc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC001633718771 1100561728 /nfs/dbraw/zinc/56/17/28/1100561728.db2.gz VIYLMWISIKCQOD-UHFFFAOYSA-N 0 0 331.357 2.508 10 5 EFBERN C/C=C/C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)OCC ZINC001633749660 1100563692 /nfs/dbraw/zinc/56/36/92/1100563692.db2.gz QHPULLDDZQVHAG-MASHWEEQSA-N 0 0 340.763 2.876 10 5 EFBERN COc1ccc(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC001633799123 1100566548 /nfs/dbraw/zinc/56/65/48/1100566548.db2.gz XLTHIRWVDNQPPU-UHFFFAOYSA-N 0 0 330.340 2.590 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cc(=O)c(Cl)c[nH]1 ZINC001633807392 1100567833 /nfs/dbraw/zinc/56/78/33/1100567833.db2.gz FSNMVQTXQAIBEY-UHFFFAOYSA-N 0 0 325.683 2.669 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)c1ccccc1 ZINC001633879328 1100571715 /nfs/dbraw/zinc/57/17/15/1100571715.db2.gz SLXQQCDDANQPKN-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN CC(C)c1cc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC001633886540 1100572474 /nfs/dbraw/zinc/57/24/74/1100572474.db2.gz DXLLPYPNLKUVIA-LBPRGKRZSA-N 0 0 343.387 2.856 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001633909280 1100573386 /nfs/dbraw/zinc/57/33/86/1100573386.db2.gz UZZRSYPAJOHWFA-MRVPVSSYSA-N 0 0 338.726 2.977 10 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/nfs/dbraw/zinc/58/47/73/1100584773.db2.gz SJOOPBWHUSBYJA-UHFFFAOYSA-N 0 0 339.355 2.562 10 5 EFBERN Cn1cncc1[C@H](CO)NC(=O)c1cc2ccccc2c2cccnc12 ZINC001634110373 1100584838 /nfs/dbraw/zinc/58/48/38/1100584838.db2.gz CSXYNHAWAMBAFN-KRWDZBQOSA-N 0 0 346.390 2.585 10 5 EFBERN Cc1cccc(C[C@@H](CO)NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001634121362 1100586387 /nfs/dbraw/zinc/58/63/87/1100586387.db2.gz ZYDWBCSTTUEVEO-ZDUSSCGKSA-N 0 0 348.786 2.890 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(C2CC2)cs1 ZINC001634186731 1100589243 /nfs/dbraw/zinc/58/92/43/1100589243.db2.gz FVULYUUEGYXKRH-UHFFFAOYSA-N 0 0 343.368 2.735 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cc(C2CC2)no1 ZINC001634207637 1100591382 /nfs/dbraw/zinc/59/13/82/1100591382.db2.gz YAFQHJDZTUEPLB-UHFFFAOYSA-N 0 0 335.747 2.973 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CCCc3cc[nH]c(=O)c32)cc1[N+](=O)[O-] ZINC001634244315 1100593198 /nfs/dbraw/zinc/59/31/98/1100593198.db2.gz BIQHRVZBNKQBSQ-UHFFFAOYSA-N 0 0 348.746 2.524 10 5 EFBERN C[C@@H]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001634286528 1100596166 /nfs/dbraw/zinc/59/61/66/1100596166.db2.gz HGLFBGNSNBYULS-VXGBXAGGSA-N 0 0 329.356 2.779 10 5 EFBERN CCC(C)(C)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001634402126 1100606238 /nfs/dbraw/zinc/60/62/38/1100606238.db2.gz VMNBPIGQWYPTNB-UHFFFAOYSA-N 0 0 345.403 2.892 10 5 EFBERN CC(C)(C)OC(=O)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001634415416 1100606419 /nfs/dbraw/zinc/60/64/19/1100606419.db2.gz RWALNHHBMDBHBQ-UHFFFAOYSA-N 0 0 345.355 2.808 10 5 EFBERN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001634461021 1100608847 /nfs/dbraw/zinc/60/88/47/1100608847.db2.gz DBAWNIRGVMXJFZ-KRWDZBQOSA-N 0 0 349.387 2.515 10 5 EFBERN C[C@@H](CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC001634478213 1100610708 /nfs/dbraw/zinc/61/07/08/1100610708.db2.gz PPRJZFVQNWMAHC-NSHDSACASA-N 0 0 330.388 2.956 10 5 EFBERN Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001634522307 1100613098 /nfs/dbraw/zinc/61/30/98/1100613098.db2.gz DOXVCOZFMGOFGT-LBPRGKRZSA-N 0 0 329.356 2.683 10 5 EFBERN Nc1c(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)cc(F)cc1[N+](=O)[O-] ZINC001634545759 1100615485 /nfs/dbraw/zinc/61/54/85/1100615485.db2.gz VJIFRUYKNSESNX-NHYWBVRUSA-N 0 0 349.293 2.518 10 5 EFBERN CC(C)[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)c2ccccc21 ZINC001634578298 1100616751 /nfs/dbraw/zinc/61/67/51/1100616751.db2.gz QZZKQXLCYFVDEX-ZDUSSCGKSA-N 0 0 326.356 2.972 10 5 EFBERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001634604282 1100618281 /nfs/dbraw/zinc/61/82/81/1100618281.db2.gz OEDKWPLYQKFVTC-ZCFIWIBFSA-N 0 0 328.687 2.516 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001634615793 1100618940 /nfs/dbraw/zinc/61/89/40/1100618940.db2.gz QFNOBONEENBNPS-DYVFJYSZSA-N 0 0 341.367 2.827 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(c2ccccn2)C1 ZINC001634762909 1100628632 /nfs/dbraw/zinc/62/86/32/1100628632.db2.gz HOAAWNGELYFHOO-UHFFFAOYSA-N 0 0 336.351 2.640 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(CCF)CC1 ZINC001634763424 1100628646 /nfs/dbraw/zinc/62/86/46/1100628646.db2.gz GGYPMBMCPPUEJJ-UHFFFAOYSA-N 0 0 349.366 2.752 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)n1 ZINC001634827383 1100631199 /nfs/dbraw/zinc/63/11/99/1100631199.db2.gz BMXKRTLKNMAZIC-QGZVFWFLSA-N 0 0 341.367 2.820 10 5 EFBERN O=C(NCC(F)(F)C(F)F)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001634834565 1100631220 /nfs/dbraw/zinc/63/12/20/1100631220.db2.gz JTZTYNSZIKQVDW-UHFFFAOYSA-N 0 0 346.240 2.615 10 5 EFBERN COc1nnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC001634833043 1100631713 /nfs/dbraw/zinc/63/17/13/1100631713.db2.gz PHPUAQZSBUVMTH-UHFFFAOYSA-N 0 0 342.764 2.680 10 5 EFBERN C[C@H]1COCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634884618 1100634015 /nfs/dbraw/zinc/63/40/15/1100634015.db2.gz JEUKFSUGXNVWEG-CMPLNLGQSA-N 0 0 326.780 2.580 10 5 EFBERN Cc1cc(F)cc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1N)CC2 ZINC001635003898 1100639777 /nfs/dbraw/zinc/63/97/77/1100639777.db2.gz SOTPWNZBVYNXIY-UHFFFAOYSA-N 0 0 329.331 2.823 10 5 EFBERN C[C@H]1Cc2cnccc2N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001635020566 1100640320 /nfs/dbraw/zinc/64/03/20/1100640320.db2.gz ANVOODOTZKYPLE-NSHDSACASA-N 0 0 336.351 2.991 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CCc3c(O)cccc3C2)cc1[N+](=O)[O-] ZINC001635081315 1100642638 /nfs/dbraw/zinc/64/26/38/1100642638.db2.gz IHKRZYPUUYWQLN-UHFFFAOYSA-N 0 0 347.758 2.735 10 5 EFBERN CO[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001635146502 1100646255 /nfs/dbraw/zinc/64/62/55/1100646255.db2.gz TUFHTSBGUCQCHR-ZDUSSCGKSA-N 0 0 327.340 2.518 10 5 EFBERN C[C@]1(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCCC[C@H]1O ZINC001635200088 1100648534 /nfs/dbraw/zinc/64/85/34/1100648534.db2.gz QVOKPDWZNCWBOX-IUODEOHRSA-N 0 0 341.795 2.501 10 5 EFBERN Nc1ncc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001635194264 1100648864 /nfs/dbraw/zinc/64/88/64/1100648864.db2.gz OYWBRXIMXOVZJD-PSASIEDQSA-N 0 0 346.309 2.671 10 5 EFBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1noc(C)n1 ZINC001635233041 1100649875 /nfs/dbraw/zinc/64/98/75/1100649875.db2.gz LRLWAYUGYVVULZ-GFCCVEGCSA-N 0 0 329.316 2.649 10 5 EFBERN CC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1noc(C)n1 ZINC001635233068 1100650269 /nfs/dbraw/zinc/65/02/69/1100650269.db2.gz LXTSHNZANUJXOK-JTQLQIEISA-N 0 0 329.316 2.649 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2c(o1)CCCC2 ZINC001635281966 1100653002 /nfs/dbraw/zinc/65/30/02/1100653002.db2.gz AGOGXHJOKMDRHP-UHFFFAOYSA-N 0 0 340.339 2.873 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 ZINC001635518087 1100665410 /nfs/dbraw/zinc/66/54/10/1100665410.db2.gz TVENSPVHZJDENS-OIISXLGYSA-N 0 0 347.415 2.844 10 5 EFBERN O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001635549180 1100667188 /nfs/dbraw/zinc/66/71/88/1100667188.db2.gz SYLHBJWODKXOAV-MLGOLLRUSA-N 0 0 345.330 2.779 10 5 EFBERN CCc1nc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c[nH]1 ZINC001635610224 1100669889 /nfs/dbraw/zinc/66/98/89/1100669889.db2.gz FKCCAMUJACQGBU-UHFFFAOYSA-N 0 0 328.372 2.618 10 5 EFBERN CCC[C@H](CCO)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635619098 1100670394 /nfs/dbraw/zinc/67/03/94/1100670394.db2.gz HTSZEAJSGBPTGF-LLVKDONJSA-N 0 0 328.796 2.706 10 5 EFBERN COc1cc(OCC(=O)Nc2cc(O)ccc2C)ccc1[N+](=O)[O-] ZINC001635634711 1100671043 /nfs/dbraw/zinc/67/10/43/1100671043.db2.gz LIJWMUFFOWSFJL-UHFFFAOYSA-N 0 0 332.312 2.635 10 5 EFBERN C[C@H]1[C@@H](O)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001635629025 1100671301 /nfs/dbraw/zinc/67/13/01/1100671301.db2.gz ZRQDIHQYCHKTTK-XNCJUZBTSA-N 0 0 337.134 2.636 10 5 EFBERN CC(C)(C)c1ccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC001635774743 1100678718 /nfs/dbraw/zinc/67/87/18/1100678718.db2.gz PYRXMLXFOBSHAN-HNNXBMFYSA-N 0 0 332.356 2.835 10 5 EFBERN O=C(NCc1c(Cl)cccc1OC(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC001635783737 1100679223 /nfs/dbraw/zinc/67/92/23/1100679223.db2.gz BGYUXNPBBTWBBJ-UHFFFAOYSA-N 0 0 346.677 2.503 10 5 EFBERN O=C(NCc1cc(Cl)cc(Cl)c1F)c1cc([N+](=O)[O-])n[nH]1 ZINC001635779528 1100679426 /nfs/dbraw/zinc/67/94/26/1100679426.db2.gz USSJQECRPOWAEU-UHFFFAOYSA-N 0 0 333.106 2.694 10 5 EFBERN CO[C@@]1(C)CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001635796836 1100680238 /nfs/dbraw/zinc/68/02/38/1100680238.db2.gz FKWMOAWDDZDESJ-HNNXBMFYSA-N 0 0 326.780 2.818 10 5 EFBERN O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001635896317 1100686426 /nfs/dbraw/zinc/68/64/26/1100686426.db2.gz ONSRZZOKZKFGRY-CQSZACIVSA-N 0 0 347.415 2.827 10 5 EFBERN O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001635896316 1100686560 /nfs/dbraw/zinc/68/65/60/1100686560.db2.gz ONSRZZOKZKFGRY-AWEZNQCLSA-N 0 0 347.415 2.827 10 5 EFBERN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001635921706 1100687754 /nfs/dbraw/zinc/68/77/54/1100687754.db2.gz XOOOXAAPMBOCKL-HNNXBMFYSA-N 0 0 343.383 2.507 10 5 EFBERN Cc1ccc(CNC(=O)c2ccc3oc(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC001635926870 1100687840 /nfs/dbraw/zinc/68/78/40/1100687840.db2.gz ULDHXPUIANZBFC-UHFFFAOYSA-N 0 0 327.296 2.680 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1cn(C)cn1 ZINC001635990863 1100690964 /nfs/dbraw/zinc/69/09/64/1100690964.db2.gz QQBNRFOOZUBMTF-DAXSKMNVSA-N 0 0 329.360 2.801 10 5 EFBERN CC[C@@H](C)[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)OC ZINC001635987283 1100691220 /nfs/dbraw/zinc/69/12/20/1100691220.db2.gz SLPNTVOPRRQFET-XCBNKYQSSA-N 0 0 347.774 2.760 10 5 EFBERN C[C@H](O)C1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001636006687 1100692380 /nfs/dbraw/zinc/69/23/80/1100692380.db2.gz GDGVJAOXGFLUAG-NSHDSACASA-N 0 0 343.383 2.563 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC001636044104 1100696661 /nfs/dbraw/zinc/69/66/61/1100696661.db2.gz SKNVJDDGUNCWAC-UHFFFAOYSA-N 0 0 345.746 2.637 10 5 EFBERN Cc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)cc1[N+](=O)[O-] ZINC001636085660 1100699779 /nfs/dbraw/zinc/69/97/79/1100699779.db2.gz KHUJRWJDJCEEJX-SSDOTTSWSA-N 0 0 343.265 2.531 10 5 EFBERN Cc1c(NC(=O)c2c(Br)cccc2[N+](=O)[O-])cnn1C ZINC001636156506 1100703222 /nfs/dbraw/zinc/70/32/22/1100703222.db2.gz XNHLYSXFXXUQMB-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1[nH][nH]c2cc(=O)ccc1-2 ZINC001636182811 1100704797 /nfs/dbraw/zinc/70/47/97/1100704797.db2.gz VBNLBJXSLHSWSR-UHFFFAOYSA-N 0 0 330.275 2.877 10 5 EFBERN Cc1ccc(CNC(=O)NCc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC001636183323 1100705760 /nfs/dbraw/zinc/70/57/60/1100705760.db2.gz HLBJPEUMDDGOMI-UHFFFAOYSA-N 0 0 347.400 2.632 10 5 EFBERN Cc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3N)ccc2[nH]c1=O ZINC001636244371 1100708950 /nfs/dbraw/zinc/70/89/50/1100708950.db2.gz LZWGBYRRFJLZNI-UHFFFAOYSA-N 0 0 338.323 2.579 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnn(CC2CCC2)c1 ZINC001636255428 1100709938 /nfs/dbraw/zinc/70/99/38/1100709938.db2.gz PBZXDRXTCQKAHF-UHFFFAOYSA-N 0 0 343.387 2.563 10 5 EFBERN C[C@H](CNC(=O)CNC(=O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001636283765 1100711479 /nfs/dbraw/zinc/71/14/79/1100711479.db2.gz BBPZBJRBBOLQJI-CYBMUJFWSA-N 0 0 347.415 2.511 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001636325993 1100713649 /nfs/dbraw/zinc/71/36/49/1100713649.db2.gz GMBCMWRDEVWFDT-LRDDRELGSA-N 0 0 343.383 2.814 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001636326528 1100713849 /nfs/dbraw/zinc/71/38/49/1100713849.db2.gz VWAMDJWLXZJPDC-ZBEGNZNMSA-N 0 0 331.372 2.747 10 5 EFBERN CC1(C)CCC[C@]1(O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636388592 1100716986 /nfs/dbraw/zinc/71/69/86/1100716986.db2.gz KQIVEMRNAIONSV-INIZCTEOSA-N 0 0 340.807 2.848 10 5 EFBERN CCC[C@H](O)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001636444096 1100720465 /nfs/dbraw/zinc/72/04/65/1100720465.db2.gz PMXJAVKFHLRCCL-AWEZNQCLSA-N 0 0 343.383 2.938 10 5 EFBERN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)Cc2cncnc21 ZINC001636526836 1100724810 /nfs/dbraw/zinc/72/48/10/1100724810.db2.gz PGVGQLJOWQBRSV-HFBAOOFYSA-N 0 0 338.367 2.634 10 5 EFBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1Cc2cncnc2C1 ZINC001636605776 1100729615 /nfs/dbraw/zinc/72/96/15/1100729615.db2.gz DEHZMINRKXSUJE-UHFFFAOYSA-N 0 0 338.245 2.560 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1nc2c(cccc2F)[nH]1 ZINC001636600068 1100729704 /nfs/dbraw/zinc/72/97/04/1100729704.db2.gz WFIDECBLMJAOIT-UHFFFAOYSA-N 0 0 342.330 2.859 10 5 EFBERN CCC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001636629374 1100731089 /nfs/dbraw/zinc/73/10/89/1100731089.db2.gz UZJAEEICOZMLFM-AWEZNQCLSA-N 0 0 341.367 2.914 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC001636678269 1100732835 /nfs/dbraw/zinc/73/28/35/1100732835.db2.gz HTQPNHYELIACBB-GFCCVEGCSA-N 0 0 327.340 2.933 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cc(C)cc(C)n1 ZINC001636736396 1100734845 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Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC001636815755 1100739219 /nfs/dbraw/zinc/73/92/19/1100739219.db2.gz CAKNSPUCHSBZIY-YVEFUNNKSA-N 0 0 346.358 2.764 10 5 EFBERN CCOCC(C)(C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001636852160 1100741174 /nfs/dbraw/zinc/74/11/74/1100741174.db2.gz QMMLWKPDOYNMCV-UHFFFAOYSA-N 0 0 333.747 2.514 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC001636873093 1100742878 /nfs/dbraw/zinc/74/28/78/1100742878.db2.gz CQHILSWDWROCBA-APPDUMDISA-N 0 0 343.408 2.968 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CC(Cc3ccoc3)C2)cc1[N+](=O)[O-] ZINC001636898970 1100743594 /nfs/dbraw/zinc/74/35/94/1100743594.db2.gz MJLSSDPRVSYKKS-UHFFFAOYSA-N 0 0 335.747 2.738 10 5 EFBERN CC(C)(C)Oc1ccncc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001636887210 1100743880 /nfs/dbraw/zinc/74/38/80/1100743880.db2.gz UNBCPZZHWJWBMX-UHFFFAOYSA-N 0 0 332.316 2.520 10 5 EFBERN C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001636912741 1100745719 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CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2ccncc12 ZINC001637099529 1100756833 /nfs/dbraw/zinc/75/68/33/1100756833.db2.gz PXWGJGAEHQLMOO-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN CCOc1ccc(C(=O)Nc2cccc3n[nH]nc32)cc1[N+](=O)[O-] ZINC001637131655 1100759328 /nfs/dbraw/zinc/75/93/28/1100759328.db2.gz FCVMQLQJUMIMFC-UHFFFAOYSA-N 0 0 327.300 2.517 10 5 EFBERN Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001637277013 1100769516 /nfs/dbraw/zinc/76/95/16/1100769516.db2.gz JXKLNJSOXAZXST-JOCQHMNTSA-N 0 0 334.372 2.753 10 5 EFBERN C=Cc1ccc(CCNC(=O)c2ccnc(NC)c2[N+](=O)[O-])cc1 ZINC001637304110 1100771423 /nfs/dbraw/zinc/77/14/23/1100771423.db2.gz XLBNIZVEASRJKK-UHFFFAOYSA-N 0 0 326.356 2.647 10 5 EFBERN COc1ccc(CCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1O ZINC001637323390 1100772889 /nfs/dbraw/zinc/77/28/89/1100772889.db2.gz SGYXMYPFEFVJFI-UHFFFAOYSA-N 0 0 344.367 2.898 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C)c2c(C)n[nH]c2C)cc1[N+](=O)[O-] ZINC001637400095 1100780094 /nfs/dbraw/zinc/78/00/94/1100780094.db2.gz WWPKUBOFQXXDJZ-SECBINFHSA-N 0 0 332.360 2.824 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](C)c2c(C)n[nH]c2C)cc1[N+](=O)[O-] ZINC001637400096 1100780182 /nfs/dbraw/zinc/78/01/82/1100780182.db2.gz WWPKUBOFQXXDJZ-VIFPVBQESA-N 0 0 332.360 2.824 10 5 EFBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)c1ccccc1 ZINC001637466703 1100785372 /nfs/dbraw/zinc/78/53/72/1100785372.db2.gz GHMFJWNSEMJQSN-UHFFFAOYSA-N 0 0 327.340 2.568 10 5 EFBERN Cc1c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cnn1C1CCOCC1 ZINC001637521128 1100787767 /nfs/dbraw/zinc/78/77/67/1100787767.db2.gz AUSWHVXURRHUPK-UHFFFAOYSA-N 0 0 348.334 2.843 10 5 EFBERN Cc1cc(NC(=O)c2cc(CN3CCCC3)on2)cc([N+](=O)[O-])c1 ZINC001637531843 1100788293 /nfs/dbraw/zinc/78/82/93/1100788293.db2.gz SISXCMVGAMYWPD-UHFFFAOYSA-N 0 0 330.344 2.739 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2ccc(C)c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC001637547549 1100789783 /nfs/dbraw/zinc/78/97/83/1100789783.db2.gz LPTSOOLZBIQQOY-UHFFFAOYSA-N 0 0 329.360 2.787 10 5 EFBERN O=C(NOCc1ccccn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001637586787 1100791836 /nfs/dbraw/zinc/79/18/36/1100791836.db2.gz KHAPGLOHLQNVBD-UHFFFAOYSA-N 0 0 345.358 2.938 10 5 EFBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)[C@H](O)c1ccccc1 ZINC001637589355 1100793143 /nfs/dbraw/zinc/79/31/43/1100793143.db2.gz UXEHZGNXFHPEBD-GOEBONIOSA-N 0 0 344.367 2.845 10 5 EFBERN CC/C=C/CNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001637619604 1100794550 /nfs/dbraw/zinc/79/45/50/1100794550.db2.gz NYXNXFBBXDEXOP-ONEGZZNKSA-N 0 0 328.166 2.636 10 5 EFBERN CCOC1CC2(C[C@@H]2NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001637619461 1100794751 /nfs/dbraw/zinc/79/47/51/1100794751.db2.gz RIHFOSIOKNWNMC-WMEQCIOUSA-N 0 0 338.791 2.865 10 5 EFBERN COC(=O)/C=C/[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001637686822 1100799276 /nfs/dbraw/zinc/79/92/76/1100799276.db2.gz JGEMREPDDMUUHN-SWTNXBIASA-N 0 0 334.353 2.657 10 5 EFBERN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC001637761159 1100804508 /nfs/dbraw/zinc/80/45/08/1100804508.db2.gz RHLVBBSQMABODS-XIKOKIGWSA-N 0 0 340.379 2.994 10 5 EFBERN Cc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc(NC2CC2)n1 ZINC001637785681 1100805075 /nfs/dbraw/zinc/80/50/75/1100805075.db2.gz OJNZTJKNXFMKBC-UHFFFAOYSA-N 0 0 340.383 2.845 10 5 EFBERN C[C@H](NC(=O)NCc1cnc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001637899131 1100814869 /nfs/dbraw/zinc/81/48/69/1100814869.db2.gz WXGUUGHBOYOXSN-VIFPVBQESA-N 0 0 335.751 2.599 10 5 EFBERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001637926520 1100818003 /nfs/dbraw/zinc/81/80/03/1100818003.db2.gz XLLROCUUDXUXAV-MRVPVSSYSA-N 0 0 342.311 2.636 10 5 EFBERN C[C@@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC001637925236 1100818391 /nfs/dbraw/zinc/81/83/91/1100818391.db2.gz BVSHJIHKMLWFQO-OIRASMEMSA-N 0 0 346.408 2.964 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637928272 1100818423 /nfs/dbraw/zinc/81/84/23/1100818423.db2.gz UJGIQEOPYWJDLR-SNVBAGLBSA-N 0 0 344.795 2.695 10 5 EFBERN C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(F)c1 ZINC001637937918 1100819465 /nfs/dbraw/zinc/81/94/65/1100819465.db2.gz NWIVCWLWFYJKRW-UHFFFAOYSA-N 0 0 333.319 2.753 10 5 EFBERN O=C(Nc1cccc2c1CCNC2=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001637980513 1100822766 /nfs/dbraw/zinc/82/27/66/1100822766.db2.gz WCYGMWCYMHWFOW-UHFFFAOYSA-N 0 0 345.742 2.786 10 5 EFBERN O=C(Nc1nnc(C2CCC2)[nH]1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001638081321 1100832106 /nfs/dbraw/zinc/83/21/06/1100832106.db2.gz MVHFUTSICWEUMY-STQMWFEESA-N 0 0 327.344 2.723 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(C)=O)c1O ZINC001638113092 1100834523 /nfs/dbraw/zinc/83/45/23/1100834523.db2.gz AXHPTWBIWCYWEN-UHFFFAOYSA-N 0 0 330.296 2.764 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)no1 ZINC001638262878 1100844245 /nfs/dbraw/zinc/84/42/45/1100844245.db2.gz LXVFRJYOJHTORA-UHFFFAOYSA-N 0 0 340.295 2.662 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cncc(O)c1 ZINC001638269409 1100845735 /nfs/dbraw/zinc/84/57/35/1100845735.db2.gz WLTMMJQXWNYAGB-ZZXKWVIFSA-N 0 0 329.312 2.746 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1OCCc2sccc21 ZINC001638282950 1100846980 /nfs/dbraw/zinc/84/69/80/1100846980.db2.gz JJOMLPBXZDJVSK-VFZGTOFNSA-N 0 0 347.396 2.671 10 5 EFBERN C/C=C/C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(=O)OCC ZINC001638285526 1100847136 /nfs/dbraw/zinc/84/71/36/1100847136.db2.gz WALIXIQJDHTOCZ-KQIUPUNMSA-N 0 0 345.355 2.704 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001638360372 1100851293 /nfs/dbraw/zinc/85/12/93/1100851293.db2.gz SIOMRTLDVGPSGH-BDJLRTHQSA-N 0 0 347.346 2.828 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001638358696 1100851334 /nfs/dbraw/zinc/85/13/34/1100851334.db2.gz ZEYHHAJTXJXGTD-BDJLRTHQSA-N 0 0 347.346 2.828 10 5 EFBERN C[C@@H](NC(=O)NCc1ccccc1CO)c1ccc([N+](=O)[O-])cc1 ZINC001638356446 1100851479 /nfs/dbraw/zinc/85/14/79/1100851479.db2.gz CTNMXGKQYJTOHP-GFCCVEGCSA-N 0 0 329.356 2.648 10 5 EFBERN CC(C)[C@@H](O)C1(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001638357186 1100851496 /nfs/dbraw/zinc/85/14/96/1100851496.db2.gz MGOGLWHMQPCXML-IUODEOHRSA-N 0 0 335.404 2.752 10 5 EFBERN Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001638381075 1100853624 /nfs/dbraw/zinc/85/36/24/1100853624.db2.gz BWQUNLDNDPFLOU-BDJLRTHQSA-N 0 0 329.356 2.589 10 5 EFBERN C[C@@](O)(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001638381514 1100854151 /nfs/dbraw/zinc/85/41/51/1100854151.db2.gz MSVKWLLNIAFHCZ-HNNXBMFYSA-N 0 0 335.747 2.677 10 5 EFBERN Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001638381076 1100854353 /nfs/dbraw/zinc/85/43/53/1100854353.db2.gz BWQUNLDNDPFLOU-BZNIZROVSA-N 0 0 329.356 2.589 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC001638543089 1100866058 /nfs/dbraw/zinc/86/60/58/1100866058.db2.gz NBZMWMFHHWCXPI-UHFFFAOYSA-N 0 0 346.677 2.835 10 5 EFBERN COc1ccc2c(c1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CCC2 ZINC001638541131 1100866240 /nfs/dbraw/zinc/86/62/40/1100866240.db2.gz HFSUGXXASRMAHT-UHFFFAOYSA-N 0 0 336.735 2.721 10 5 EFBERN CCN(Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C1CC(C)(C)C1 ZINC000840182773 1100868438 /nfs/dbraw/zinc/86/84/38/1100868438.db2.gz ACHVEGSPYAHHOW-UHFFFAOYSA-N 0 0 346.387 2.880 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001638557509 1100868843 /nfs/dbraw/zinc/86/88/43/1100868843.db2.gz BDUNQKTTYCFOTC-MRVPVSSYSA-N 0 0 327.344 2.907 10 5 EFBERN Cc1c(C(=O)NCc2cccc([N+](=O)[O-])c2C)[nH]nc1C(F)(F)F ZINC001638613811 1100873238 /nfs/dbraw/zinc/87/32/38/1100873238.db2.gz KUXUFNMHMWCGFO-UHFFFAOYSA-N 0 0 342.277 2.884 10 5 EFBERN C/C(=C/c1ccncc1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001638638586 1100875069 /nfs/dbraw/zinc/87/50/69/1100875069.db2.gz QWOMLSCESYBCJM-RAXLEYEMSA-N 0 0 339.351 2.683 10 5 EFBERN Nc1cc(Cl)ccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001638638527 1100875641 /nfs/dbraw/zinc/87/56/41/1100875641.db2.gz ORCSDSZVSYJYAV-UHFFFAOYSA-N 0 0 347.758 2.734 10 5 EFBERN Cc1cnc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc1 ZINC001638673473 1100878005 /nfs/dbraw/zinc/87/80/05/1100878005.db2.gz IBGQSOPONPTWLP-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN C[C@@H](CNC(=O)NCC1(CO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001638706994 1100879624 /nfs/dbraw/zinc/87/96/24/1100879624.db2.gz AICLHUDIURHZKV-AWEZNQCLSA-N 0 0 349.431 2.940 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCc2c[nH]nc2C1 ZINC001638850939 1100890922 /nfs/dbraw/zinc/89/09/22/1100890922.db2.gz DSOFXMGIYMYWRK-JTQLQIEISA-N 0 0 337.339 2.610 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cc(F)c[nH]c1=O ZINC001638856211 1100893034 /nfs/dbraw/zinc/89/30/34/1100893034.db2.gz JPYMEZHSTPEZHG-UHFFFAOYSA-N 0 0 328.259 2.635 10 5 EFBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ncc2ccccn21 ZINC001638867481 1100894162 /nfs/dbraw/zinc/89/41/62/1100894162.db2.gz AOHYWSNHNUGYGQ-UHFFFAOYSA-N 0 0 348.322 2.885 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccn1 ZINC001638892052 1100895635 /nfs/dbraw/zinc/89/56/35/1100895635.db2.gz GJIRFNWDWQVVCL-UHFFFAOYSA-N 0 0 332.385 2.903 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2cccn2)o1 ZINC001638892322 1100895838 /nfs/dbraw/zinc/89/58/38/1100895838.db2.gz JZKNHDSDMNBZHU-UHFFFAOYSA-N 0 0 341.327 2.727 10 5 EFBERN CS(C)(=O)=NCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC001638896198 1100896139 /nfs/dbraw/zinc/89/61/39/1100896139.db2.gz KLDKCFSRBRONDV-UHFFFAOYSA-N 0 0 341.436 2.845 10 5 EFBERN COc1cc(C(=O)N[C@H](C)c2cncc(F)c2)c([N+](=O)[O-])cc1F ZINC001638895124 1100896365 /nfs/dbraw/zinc/89/63/65/1100896365.db2.gz YGGOBCKMIVHOKZ-MRVPVSSYSA-N 0 0 337.282 2.768 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N=[S@@]1(=O)CCc2ccccc21 ZINC001638932514 1100899059 /nfs/dbraw/zinc/89/90/59/1100899059.db2.gz FHJHCFJUDCVRGN-XMMPIXPASA-N 0 0 349.343 2.540 10 5 EFBERN Cc1nc(CC2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC001638943566 1100899983 /nfs/dbraw/zinc/89/99/83/1100899983.db2.gz USJGDQAMBLTQIK-UHFFFAOYSA-N 0 0 344.371 2.690 10 5 EFBERN Cc1nc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC001638943700 1100900614 /nfs/dbraw/zinc/90/06/14/1100900614.db2.gz VTRHQTATNGBQJV-UHFFFAOYSA-N 0 0 344.371 2.690 10 5 EFBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(Cl)c(OC)c1 ZINC001638982692 1100902532 /nfs/dbraw/zinc/90/25/32/1100902532.db2.gz VZOIBQBNHPOBRN-UHFFFAOYSA-N 0 0 325.708 2.846 10 5 EFBERN CC(=O)c1ccc2c(c1)CN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC001638982036 1100902823 /nfs/dbraw/zinc/90/28/23/1100902823.db2.gz HNFBSAJUWUYUBH-UHFFFAOYSA-N 0 0 325.324 2.536 10 5 EFBERN CN1Cc2c(cccc2NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1=O ZINC001639024044 1100906103 /nfs/dbraw/zinc/90/61/03/1100906103.db2.gz SAYSVNKXERCIIZ-UHFFFAOYSA-N 0 0 329.287 2.572 10 5 EFBERN Cc1ccc(NCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)nc1 ZINC001639039181 1100906995 /nfs/dbraw/zinc/90/69/95/1100906995.db2.gz HMVTWRVSKCIDLY-UITAMQMPSA-N 0 0 326.356 2.540 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1N ZINC001639088168 1100912363 /nfs/dbraw/zinc/91/23/63/1100912363.db2.gz XPEUOZLQKTWLBB-UHFFFAOYSA-N 0 0 339.273 2.833 10 5 EFBERN NC(=O)c1cc(Nc2ccc(N3CCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC001639160590 1100919526 /nfs/dbraw/zinc/91/95/26/1100919526.db2.gz VGERLBZQOMJYAC-UHFFFAOYSA-N 0 0 340.339 2.564 10 5 EFBERN O=C(NCc1nnc(C2CC2)o1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001639229833 1100927340 /nfs/dbraw/zinc/92/73/40/1100927340.db2.gz HMVOCZNQGHCWEX-UHFFFAOYSA-N 0 0 342.355 2.593 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)n1 ZINC001639231740 1100927488 /nfs/dbraw/zinc/92/74/88/1100927488.db2.gz YFEDEQGLPQQVBI-HNNXBMFYSA-N 0 0 333.388 2.575 10 5 EFBERN Cc1ccc([C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC001639285316 1100933905 /nfs/dbraw/zinc/93/39/05/1100933905.db2.gz SXEXOKDEOUOYAY-JTQLQIEISA-N 0 0 344.249 2.507 10 5 EFBERN Cc1cccc2oc(CCNC(=O)c3ccc([N+](=O)[O-])cc3N)nc21 ZINC001639327375 1100938819 /nfs/dbraw/zinc/93/88/19/1100938819.db2.gz RELKCQMYQTTYMO-UHFFFAOYSA-N 0 0 340.339 2.599 10 5 EFBERN Cc1cc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC001639386196 1100943526 /nfs/dbraw/zinc/94/35/26/1100943526.db2.gz ZEMRKQZKUGTSEF-GFCCVEGCSA-N 0 0 349.412 2.947 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cnc3n[nH]cc3c2)c1 ZINC001639400740 1100945144 /nfs/dbraw/zinc/94/51/44/1100945144.db2.gz JDVWPTOMJLZMLX-UHFFFAOYSA-N 0 0 341.327 2.582 10 5 EFBERN CO[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001639425740 1100948255 /nfs/dbraw/zinc/94/82/55/1100948255.db2.gz QQKVFDSFRYOHEV-JSGCOSHPSA-N 0 0 326.780 2.865 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001639513875 1100957406 /nfs/dbraw/zinc/95/74/06/1100957406.db2.gz CYIGMORCVBDMPW-MGCOHNPYSA-N 0 0 341.795 2.906 10 5 EFBERN Cc1cccc(C(=O)NCc2ccc3c(N)noc3c2)c1[N+](=O)[O-] ZINC001639550851 1100959514 /nfs/dbraw/zinc/95/95/14/1100959514.db2.gz SNAOQDMYFIYZMQ-UHFFFAOYSA-N 0 0 326.312 2.557 10 5 EFBERN NC(=O)C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1Cl ZINC001639570462 1100962246 /nfs/dbraw/zinc/96/22/46/1100962246.db2.gz SYQNQJBGSNFYCN-VIFPVBQESA-N 0 0 326.765 2.733 10 5 EFBERN C[C@@H](C(=O)NCC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001639612494 1100966070 /nfs/dbraw/zinc/96/60/70/1100966070.db2.gz QZDUBYDWCFFORL-SNVBAGLBSA-N 0 0 348.305 2.976 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCCS3)c2c1 ZINC001639647124 1100970295 /nfs/dbraw/zinc/97/02/95/1100970295.db2.gz YRJHVRWWZYZLPM-SNVBAGLBSA-N 0 0 334.357 2.781 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001639668163 1100972799 /nfs/dbraw/zinc/97/27/99/1100972799.db2.gz CLEPICHOVMXIGC-LLLHUVSDSA-N 0 0 332.400 2.756 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CCCCO3)c2c1 ZINC001639685841 1100973876 /nfs/dbraw/zinc/97/38/76/1100973876.db2.gz ORBNXYBKBMHHCB-LBPRGKRZSA-N 0 0 346.343 2.844 10 5 EFBERN C[C@H]1C[C@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCO1 ZINC001639707001 1100976516 /nfs/dbraw/zinc/97/65/16/1100976516.db2.gz HVCLUGNMYYXMRI-WDEREUQCSA-N 0 0 346.343 2.700 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@](C)(O)c1ccccc1 ZINC001639713032 1100977396 /nfs/dbraw/zinc/97/73/96/1100977396.db2.gz BUZKINRRLFHOAW-DIFFPNOSSA-N 0 0 332.331 2.760 10 5 EFBERN C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC001639722509 1100977471 /nfs/dbraw/zinc/97/74/71/1100977471.db2.gz FOMXEHVNFRRYAE-JTQLQIEISA-N 0 0 341.327 2.961 10 5 EFBERN C[C@@](O)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1Cl ZINC001639744878 1100980113 /nfs/dbraw/zinc/98/01/13/1100980113.db2.gz DLUZZWPXXPSNQL-MRXNPFEDSA-N 0 0 349.774 2.667 10 5 EFBERN C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001639734034 1100980199 /nfs/dbraw/zinc/98/01/99/1100980199.db2.gz HYAGKNZSUBYSJE-GYSYKLTISA-N 0 0 328.821 2.990 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2ccc(F)cc2)c1C ZINC001639766274 1100982160 /nfs/dbraw/zinc/98/21/60/1100982160.db2.gz DTXFOQSAAHTLTR-OAHLLOKOSA-N 0 0 332.331 2.814 10 5 EFBERN O=c1[nH]ccc(N2CCc3[nH]c4ccc(F)cc4c3C2)c1[N+](=O)[O-] ZINC001639772984 1100983302 /nfs/dbraw/zinc/98/33/02/1100983302.db2.gz ACVJAQYWSQPDDV-UHFFFAOYSA-N 0 0 328.303 2.879 10 5 EFBERN CNc1c(C(=O)Nc2ccc(OCOC)cc2)cccc1[N+](=O)[O-] ZINC001639817473 1100985540 /nfs/dbraw/zinc/98/55/40/1100985540.db2.gz OJEZSKPMNNNSST-UHFFFAOYSA-N 0 0 331.328 2.872 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC[C@@H](O)C(F)(F)F ZINC001639848765 1100988882 /nfs/dbraw/zinc/98/88/82/1100988882.db2.gz PHTPCZUIZCQILB-SNVBAGLBSA-N 0 0 349.696 2.944 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(O)c(OC)c1 ZINC001639883616 1100991850 /nfs/dbraw/zinc/99/18/50/1100991850.db2.gz LAFDMPINMPGZIP-UHFFFAOYSA-N 0 0 347.327 2.612 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2oc(=O)[nH]c21 ZINC001639883926 1100991942 /nfs/dbraw/zinc/99/19/42/1100991942.db2.gz NJMFDBPPQYBAJC-UHFFFAOYSA-N 0 0 328.284 2.736 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001639884430 1100992002 /nfs/dbraw/zinc/99/20/02/1100992002.db2.gz WKWGPCRKKZHPTC-UHFFFAOYSA-N 0 0 344.352 2.792 10 5 EFBERN Cc1cc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])n(C)n1 ZINC001639882709 1100992283 /nfs/dbraw/zinc/99/22/83/1100992283.db2.gz KKFQVJUNPYSJPQ-UHFFFAOYSA-N 0 0 331.763 2.872 10 5 EFBERN Cc1nnc([C@@H](C)Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)[nH]1 ZINC001639883212 1100992557 /nfs/dbraw/zinc/99/25/57/1100992557.db2.gz RYISFYDXUKPHMB-ZCFIWIBFSA-N 0 0 333.739 2.791 10 5 EFBERN O=C(Nc1n[nH]cc1C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001639921394 1100995639 /nfs/dbraw/zinc/99/56/39/1100995639.db2.gz DRAPMAHZMDSQQC-UHFFFAOYSA-N 0 0 338.327 2.633 10 5 EFBERN CC1(C)C[C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 ZINC000840313053 1100997952 /nfs/dbraw/zinc/99/79/52/1100997952.db2.gz VJBUNZFWOFIMEV-SNVBAGLBSA-N 0 0 335.360 2.543 10 5 EFBERN Cn1ncc2ccc(CNc3cc(F)c([N+](=O)[O-])cc3CO)cc21 ZINC001639957403 1100997925 /nfs/dbraw/zinc/99/79/25/1100997925.db2.gz ZPCNQWGAOFTVQH-UHFFFAOYSA-N 0 0 330.319 2.725 10 5 EFBERN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC001639956524 1100998271 /nfs/dbraw/zinc/99/82/71/1100998271.db2.gz SSIWRUPMEWUWKY-VXGBXAGGSA-N 0 0 344.371 2.915 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCc1nnc(C2CC2)[nH]1 ZINC001639964617 1100999762 /nfs/dbraw/zinc/99/97/62/1100999762.db2.gz TVXIJYYRBQTVDP-UHFFFAOYSA-N 0 0 344.762 2.826 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC(c3noc4cc(F)ccc43)CC2)n1 ZINC001639988679 1101000233 /nfs/dbraw/zinc/00/02/33/1101000233.db2.gz PLXKQMKDKBEONR-UHFFFAOYSA-N 0 0 345.334 2.993 10 5 EFBERN Cc1ccc(NC(=O)[C@@]2(C)COc3ccccc3O2)c(N)c1[N+](=O)[O-] ZINC001639997535 1101001037 /nfs/dbraw/zinc/00/10/37/1101001037.db2.gz RXDZNRYFOQBMTC-QGZVFWFLSA-N 0 0 343.339 2.654 10 5 EFBERN Cc1csc(NCCNc2ncnc3cccc([N+](=O)[O-])c32)n1 ZINC001640004981 1101002465 /nfs/dbraw/zinc/00/24/65/1101002465.db2.gz WWAPTLMEZSOADL-UHFFFAOYSA-N 0 0 330.373 2.827 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC001640029172 1101006477 /nfs/dbraw/zinc/00/64/77/1101006477.db2.gz NCHKASCKKDKDNE-JTQLQIEISA-N 0 0 325.727 2.970 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccnc(Cl)c1 ZINC001640046384 1101008126 /nfs/dbraw/zinc/00/81/26/1101008126.db2.gz JCJHZVXATBFDGZ-UHFFFAOYSA-N 0 0 327.674 2.851 10 5 EFBERN C[C@@H]1C[C@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])[C@H](C)O1 ZINC001640039675 1101008788 /nfs/dbraw/zinc/00/87/88/1101008788.db2.gz PKLZWGMAEQVRBH-OUAUKWLOSA-N 0 0 346.343 2.699 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1nncc2ccccc21 ZINC001640049841 1101009147 /nfs/dbraw/zinc/00/91/47/1101009147.db2.gz XSMXNDZLRXVUSB-UHFFFAOYSA-N 0 0 344.277 2.746 10 5 EFBERN Cc1cccc2ncc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)n21 ZINC001640048744 1101009473 /nfs/dbraw/zinc/00/94/73/1101009473.db2.gz CYFFQAHFXQRJBG-UHFFFAOYSA-N 0 0 346.293 2.759 10 5 EFBERN Cc1cn2c(nc(C)c2CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)s1 ZINC001640086254 1101012446 /nfs/dbraw/zinc/01/24/46/1101012446.db2.gz HUFSZEUIDMUPQM-UHFFFAOYSA-N 0 0 345.384 2.632 10 5 EFBERN Cc1ncoc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001640120820 1101015557 /nfs/dbraw/zinc/01/55/57/1101015557.db2.gz WTUXZDNHJMKFBN-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN CNC(=O)c1ccc(N[C@@H](c2ccccc2F)[C@H](C)O)c([N+](=O)[O-])c1 ZINC001640116116 1101015604 /nfs/dbraw/zinc/01/56/04/1101015604.db2.gz GERAFEKVRLZNQI-MGPLVRAMSA-N 0 0 347.346 2.628 10 5 EFBERN Cc1ccc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1C ZINC001640113709 1101015802 /nfs/dbraw/zinc/01/58/02/1101015802.db2.gz KDDMHIMSGKMTPT-UHFFFAOYSA-N 0 0 331.347 2.905 10 5 EFBERN COc1cccc(C(=O)Nc2cccc(C3OCCO3)c2)c1[N+](=O)[O-] ZINC001640125585 1101015882 /nfs/dbraw/zinc/01/58/82/1101015882.db2.gz KEUCPLYYBAZLMW-UHFFFAOYSA-N 0 0 344.323 2.901 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCO[C@@H](c3c(F)cccc3Cl)C2)n1 ZINC001640123791 1101016215 /nfs/dbraw/zinc/01/62/15/1101016215.db2.gz ZXUUSGBAKZWDNT-GFCCVEGCSA-N 0 0 340.742 2.699 10 5 EFBERN CCOC(=O)[C@]1(F)CN(c2ccc([N+](=O)[O-])cc2F)CC12CCC2 ZINC001640145992 1101017693 /nfs/dbraw/zinc/01/76/93/1101017693.db2.gz AJEVZAQLKUOLQK-MRXNPFEDSA-N 0 0 340.326 2.996 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(c2ccc([N+](=O)[O-])cc2F)CC12CCC2 ZINC001640145991 1101018233 /nfs/dbraw/zinc/01/82/33/1101018233.db2.gz AJEVZAQLKUOLQK-INIZCTEOSA-N 0 0 340.326 2.996 10 5 EFBERN Cc1nc(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001640161303 1101018638 /nfs/dbraw/zinc/01/86/38/1101018638.db2.gz JWXUGNBQKULYRM-ZDUSSCGKSA-N 0 0 328.307 2.757 10 5 EFBERN O=[N+]([O-])c1c(N[C@H](CO)c2ccc(F)cc2F)nc2sccn21 ZINC001640189744 1101020869 /nfs/dbraw/zinc/02/08/69/1101020869.db2.gz LRFPGRGQLTWQRS-SNVBAGLBSA-N 0 0 340.311 2.728 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc2nonc2c1 ZINC001640215821 1101024074 /nfs/dbraw/zinc/02/40/74/1101024074.db2.gz SEEHFGMAOMDEBF-UHFFFAOYSA-N 0 0 346.730 2.643 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C2CCC2)[C@H]2CCCO2)n1 ZINC001640221146 1101026225 /nfs/dbraw/zinc/02/62/25/1101026225.db2.gz MKQUTADOTDANGA-KGLIPLIRSA-N 0 0 335.360 2.536 10 5 EFBERN Cc1cc(Cl)c(C(=O)N2CCO[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001640248797 1101028647 /nfs/dbraw/zinc/02/86/47/1101028647.db2.gz VKVSEHVVINFETF-NSHDSACASA-N 0 0 338.669 2.917 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CCOC23CCCC3)cc1[N+](=O)[O-] ZINC001640242451 1101028697 /nfs/dbraw/zinc/02/86/97/1101028697.db2.gz MZRZBMCHTHNELW-GFCCVEGCSA-N 0 0 339.779 2.662 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(NCC[C@@H](O)C(F)F)c2c1 ZINC001640258349 1101029565 /nfs/dbraw/zinc/02/95/65/1101029565.db2.gz DBVOYYMWZAYYQO-SECBINFHSA-N 0 0 332.694 2.619 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1ccnc(OC)c1 ZINC001640251246 1101029862 /nfs/dbraw/zinc/02/98/62/1101029862.db2.gz YGNXBKRXYRYMCN-UHFFFAOYSA-N 0 0 345.355 2.748 10 5 EFBERN O=C1Nc2ccccc2C[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001640262987 1101030895 /nfs/dbraw/zinc/03/08/95/1101030895.db2.gz XPPAPEHHXDEVFJ-HNNXBMFYSA-N 0 0 335.323 2.513 10 5 EFBERN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@@H]1F ZINC001640276515 1101031433 /nfs/dbraw/zinc/03/14/33/1101031433.db2.gz REEKZKIOOMGXQF-STQMWFEESA-N 0 0 348.334 2.740 10 5 EFBERN CCOC(=O)c1ccnc(NCC[C@@H](O)C2CCCC2)c1[N+](=O)[O-] ZINC001640303392 1101033950 /nfs/dbraw/zinc/03/39/50/1101033950.db2.gz LGHPORWDYUZQHX-CYBMUJFWSA-N 0 0 337.376 2.520 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001640363249 1101039122 /nfs/dbraw/zinc/03/91/22/1101039122.db2.gz GBXWWALBYCLOQH-CVEARBPZSA-N 0 0 329.356 2.651 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001640361741 1101039228 /nfs/dbraw/zinc/03/92/28/1101039228.db2.gz IAYDORUXKDCBFQ-RHSMWYFYSA-N 0 0 338.319 2.729 10 5 EFBERN Nc1c(C(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)cc2ccccc2c1[N+](=O)[O-] ZINC001640356162 1101039568 /nfs/dbraw/zinc/03/95/68/1101039568.db2.gz PZTXJSCJWNSMNJ-BPLDGKMQSA-N 0 0 341.367 2.628 10 5 EFBERN COC(=O)/C=C\c1ccc(NC2CC(CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC001640403779 1101043107 /nfs/dbraw/zinc/04/31/07/1101043107.db2.gz UVXLSUKIENYQTE-XQRVVYSFSA-N 0 0 348.355 2.535 10 5 EFBERN Cc1cc(=O)[nH]c(N2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC001640403036 1101043451 /nfs/dbraw/zinc/04/34/51/1101043451.db2.gz BOZHLAZDPXWFJU-NSHDSACASA-N 0 0 349.778 2.743 10 5 EFBERN C[C@@](O)(CNc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1 ZINC001640432339 1101045823 /nfs/dbraw/zinc/04/58/23/1101045823.db2.gz YWWVQHKELAADJW-CQSZACIVSA-N 0 0 336.348 2.763 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@]1(OC)CCSC1 ZINC001640435059 1101046286 /nfs/dbraw/zinc/04/62/86/1101046286.db2.gz QFOWRGZOTLNRAS-OAHLLOKOSA-N 0 0 340.401 2.624 10 5 EFBERN C[C@@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCS1(=O)=O ZINC001640453334 1101049110 /nfs/dbraw/zinc/04/91/10/1101049110.db2.gz SYEKWNJTQQIWHK-ZYHUDNBSSA-N 0 0 335.385 2.521 10 5 EFBERN Cc1noc(C[C@H]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC001640474561 1101051394 /nfs/dbraw/zinc/05/13/94/1101051394.db2.gz FFCQUBISXHAEEF-LLVKDONJSA-N 0 0 342.359 2.622 10 5 EFBERN NC(=O)c1cc(N[C@@H]2CCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC001640475930 1101051760 /nfs/dbraw/zinc/05/17/60/1101051760.db2.gz ZYBGVTWJPLAJAH-CYBMUJFWSA-N 0 0 331.303 2.769 10 5 EFBERN CCOC(=O)[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCO1 ZINC001640505962 1101053729 /nfs/dbraw/zinc/05/37/29/1101053729.db2.gz BYXLRUKXRQRXAC-JTQLQIEISA-N 0 0 349.170 2.670 10 5 EFBERN Cc1nnc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[nH]1 ZINC001640500322 1101054007 /nfs/dbraw/zinc/05/40/07/1101054007.db2.gz YGHSQPRDHPFAGO-UHFFFAOYSA-N 0 0 328.307 2.835 10 5 EFBERN CSc1ccc(C(=O)NCc2cn(C3CCC3)nn2)cc1[N+](=O)[O-] ZINC001640517414 1101055160 /nfs/dbraw/zinc/05/51/60/1101055160.db2.gz PXXIFZNLAKCGAJ-UHFFFAOYSA-N 0 0 347.400 2.563 10 5 EFBERN Nc1nc(N(Cc2cccs2)Cc2ccncc2)ncc1[N+](=O)[O-] ZINC001640524900 1101055459 /nfs/dbraw/zinc/05/54/59/1101055459.db2.gz DFFFEFOPMIUHLK-UHFFFAOYSA-N 0 0 342.384 2.630 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1c1cnccn1 ZINC001640543142 1101056788 /nfs/dbraw/zinc/05/67/88/1101056788.db2.gz HZJBSINRXNNGQK-LLVKDONJSA-N 0 0 333.779 2.753 10 5 EFBERN CCOC(OCC)[C@@H](C)Nc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001640549177 1101058395 /nfs/dbraw/zinc/05/83/95/1101058395.db2.gz SDGHQXMREDAGPT-LLVKDONJSA-N 0 0 349.387 2.773 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC001640643325 1101068035 /nfs/dbraw/zinc/06/80/35/1101068035.db2.gz XHVXGKCJTNYKRE-UHFFFAOYSA-N 0 0 347.758 2.925 10 5 EFBERN CCn1c(=O)c2cc3ccccc3cc2nc1SCc1cn[nH]n1 ZINC001640766420 1101077121 /nfs/dbraw/zinc/07/71/21/1101077121.db2.gz VCTWTEHJBYYTPE-UHFFFAOYSA-N 0 0 337.408 2.980 10 5 EFBERN NS(=O)(=O)c1ccc(OCc2ccsc2Cl)c([N+](=O)[O-])c1 ZINC001640835068 1101082993 /nfs/dbraw/zinc/08/29/93/1101082993.db2.gz SALNDOTZDUUHEU-UHFFFAOYSA-N 0 0 348.789 2.536 10 5 EFBERN O=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc([N+](=O)[O-])c[nH]1 ZINC001640892998 1101086169 /nfs/dbraw/zinc/08/61/69/1101086169.db2.gz PXHWRUTWDUKKOU-ZDUSSCGKSA-N 0 0 337.339 2.526 10 5 EFBERN O=c1oc2ccccc2cc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC001640936338 1101089197 /nfs/dbraw/zinc/08/91/97/1101089197.db2.gz VFVPLWAZQNGIKW-UHFFFAOYSA-N 0 0 332.699 2.565 10 5 EFBERN C[C@H]1COC2(CCC2)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001640943811 1101089921 /nfs/dbraw/zinc/08/99/21/1101089921.db2.gz XCBJQCKUGPLXNH-NSHDSACASA-N 0 0 338.791 2.961 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001640943810 1101090307 /nfs/dbraw/zinc/09/03/07/1101090307.db2.gz XCBJQCKUGPLXNH-LLVKDONJSA-N 0 0 338.791 2.961 10 5 EFBERN O=C(Nc1ccccc1-c1ncco1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001640958866 1101090802 /nfs/dbraw/zinc/09/08/02/1101090802.db2.gz YDRSBRKRGDUMFW-UHFFFAOYSA-N 0 0 333.691 2.879 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Br)cn1CC=C(Cl)Cl ZINC001641002724 1101094802 /nfs/dbraw/zinc/09/48/02/1101094802.db2.gz CTEMGNVLZOPSBK-UHFFFAOYSA-N 0 0 327.949 2.838 10 5 EFBERN CC(C)[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccccc1F ZINC001640998286 1101095047 /nfs/dbraw/zinc/09/50/47/1101095047.db2.gz YXWOCRKGVSOKRE-AWEZNQCLSA-N 0 0 332.335 2.838 10 5 EFBERN Nc1c(C(=O)NCc2cccc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC001641034463 1101098217 /nfs/dbraw/zinc/09/82/17/1101098217.db2.gz FNAULOOOYYYYSH-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN CC(=O)c1cccc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)c1 ZINC001641076683 1101099920 /nfs/dbraw/zinc/09/99/20/1101099920.db2.gz WWVRJZJWDPWZCJ-UHFFFAOYSA-N 0 0 339.307 2.662 10 5 EFBERN CNc1nccc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC001641088708 1101101425 /nfs/dbraw/zinc/10/14/25/1101101425.db2.gz PVICXIJJOUFXJS-ZFWWWQNUSA-N 0 0 340.383 2.954 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2n[nH]nc21 ZINC001641117545 1101103413 /nfs/dbraw/zinc/10/34/13/1101103413.db2.gz ZJXJCEYFSRVUQY-UHFFFAOYSA-N 0 0 329.341 2.597 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cccc3n[nH]nc32)c1F ZINC001641119759 1101105112 /nfs/dbraw/zinc/10/51/12/1101105112.db2.gz WMFZCYUWPDOGLO-UHFFFAOYSA-N 0 0 333.254 2.705 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2n[nH]nc21 ZINC001641119384 1101105495 /nfs/dbraw/zinc/10/54/95/1101105495.db2.gz LSUCZSZXRAPCIH-UHFFFAOYSA-N 0 0 331.719 2.701 10 5 EFBERN C[C@@H](CCCCO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001641173994 1101111654 /nfs/dbraw/zinc/11/16/54/1101111654.db2.gz NRJFCLUZXLLTCT-NSHDSACASA-N 0 0 331.372 2.611 10 5 EFBERN Cc1ncc([N+](=O)[O-])c(OCC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC001641190034 1101112832 /nfs/dbraw/zinc/11/28/32/1101112832.db2.gz AXVWMVNQCRPWDT-UHFFFAOYSA-N 0 0 331.284 2.777 10 5 EFBERN Nc1ccn(Cc2csc(-c3cccs3)n2)c(=O)c1[N+](=O)[O-] ZINC001641271773 1101120787 /nfs/dbraw/zinc/12/07/87/1101120787.db2.gz FXZBCPUMNPJYEZ-UHFFFAOYSA-N 0 0 334.382 2.572 10 5 EFBERN Nc1ccn(Cc2ncc(-c3cccc(Cl)c3)o2)c(=O)c1[N+](=O)[O-] ZINC001641272578 1101120970 /nfs/dbraw/zinc/12/09/70/1101120970.db2.gz ZLSFJWJYLSZUEE-UHFFFAOYSA-N 0 0 346.730 2.695 10 5 EFBERN O=C(Nc1ccc2c(c1)CCNC2=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001641279367 1101121173 /nfs/dbraw/zinc/12/11/73/1101121173.db2.gz CDBCDJGNBRLMRR-UHFFFAOYSA-N 0 0 345.742 2.786 10 5 EFBERN O=C(NC1CC(=O)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001641297134 1101122985 /nfs/dbraw/zinc/12/29/85/1101122985.db2.gz QEIUXYFYTAVSMZ-UHFFFAOYSA-N 0 0 339.351 2.668 10 5 EFBERN CCc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)no1 ZINC001641305927 1101123942 /nfs/dbraw/zinc/12/39/42/1101123942.db2.gz NERRSJZHGOSUTK-UHFFFAOYSA-N 0 0 342.311 2.711 10 5 EFBERN COc1ccncc1CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001641329956 1101126745 /nfs/dbraw/zinc/12/67/45/1101126745.db2.gz SWIOFZFDAIJONR-UHFFFAOYSA-N 0 0 337.282 2.515 10 5 EFBERN CSc1ccc(C(=O)Nc2ccc(CO)c(CO)c2)cc1[N+](=O)[O-] ZINC001641444630 1101136513 /nfs/dbraw/zinc/13/65/13/1101136513.db2.gz ONOHUXSESJWWGM-UHFFFAOYSA-N 0 0 348.380 2.554 10 5 EFBERN Cc1ccnc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c1 ZINC001641443305 1101136612 /nfs/dbraw/zinc/13/66/12/1101136612.db2.gz ZSMBURWBIWTLLZ-UHFFFAOYSA-N 0 0 338.726 2.603 10 5 EFBERN CC(=O)CN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(C)C ZINC001641466736 1101138725 /nfs/dbraw/zinc/13/87/25/1101138725.db2.gz DAUOHHMHYLSURW-UHFFFAOYSA-N 0 0 337.332 2.559 10 5 EFBERN Cn1c2ccncc2nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001641465088 1101138757 /nfs/dbraw/zinc/13/87/57/1101138757.db2.gz OCMHNYWJENWMEK-UHFFFAOYSA-N 0 0 343.368 2.607 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1Cc2cncnc2C1 ZINC001641563313 1101146636 /nfs/dbraw/zinc/14/66/36/1101146636.db2.gz VVWSWGXHJIOLTK-UHFFFAOYSA-N 0 0 326.337 2.756 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC001641614570 1101150619 /nfs/dbraw/zinc/15/06/19/1101150619.db2.gz IKGURUKPJPHSHO-AAEUAGOBSA-N 0 0 336.392 2.519 10 5 EFBERN CCO/C=C/C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000840587033 1101151574 /nfs/dbraw/zinc/15/15/74/1101151574.db2.gz IQNCNVKGMDBTGI-UCUJLANTSA-N 0 0 342.735 2.669 10 5 EFBERN CCO/C=C/C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000840587034 1101151653 /nfs/dbraw/zinc/15/16/53/1101151653.db2.gz IQNCNVKGMDBTGI-XCODYQFDSA-N 0 0 342.735 2.669 10 5 EFBERN COC(=O)c1occc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001641659129 1101154549 /nfs/dbraw/zinc/15/45/49/1101154549.db2.gz KGTMCHYHMZOJJL-UHFFFAOYSA-N 0 0 338.703 2.558 10 5 EFBERN O=C(CCCCc1c[nH]nn1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001641689591 1101156797 /nfs/dbraw/zinc/15/67/97/1101156797.db2.gz GMJZMUKXYUWWRM-UHFFFAOYSA-N 0 0 340.343 2.613 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC=Cc1cccnc1 ZINC001641712344 1101158861 /nfs/dbraw/zinc/15/88/61/1101158861.db2.gz UIMNSCNBNZWROT-HWKANZROSA-N 0 0 339.351 2.782 10 5 EFBERN CCOc1ccc(C(=O)N2Cc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC001641768206 1101163497 /nfs/dbraw/zinc/16/34/97/1101163497.db2.gz VYHJCYMASCVNID-UHFFFAOYSA-N 0 0 328.324 2.855 10 5 EFBERN Cc1cc(Cl)c(C(=O)N[C@@H]2CC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC001641905054 1101175496 /nfs/dbraw/zinc/17/54/96/1101175496.db2.gz ZYYRWZRHQCNTEG-BNJANLQDSA-N 0 0 344.820 2.586 10 5 EFBERN Cc1noc(C)c1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001642001272 1101182279 /nfs/dbraw/zinc/18/22/79/1101182279.db2.gz IWUVDKNLGLKJHS-UHFFFAOYSA-N 0 0 327.699 2.922 10 5 EFBERN COc1cccc2c1[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC001642044586 1101184788 /nfs/dbraw/zinc/18/47/88/1101184788.db2.gz AVUYHOGOEXZWOI-LBPRGKRZSA-N 0 0 327.340 2.854 10 5 EFBERN Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001642045296 1101185153 /nfs/dbraw/zinc/18/51/53/1101185153.db2.gz NTNXKFZULAIWHJ-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001642058512 1101186089 /nfs/dbraw/zinc/18/60/89/1101186089.db2.gz ACWIANSZEOUFLB-UHFFFAOYSA-N 0 0 344.297 2.656 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N=c1sc2ccccc2n1C ZINC001642080838 1101188707 /nfs/dbraw/zinc/18/87/07/1101188707.db2.gz ZBGLCSRTNFVVFZ-UHFFFAOYSA-N 0 0 342.380 2.931 10 5 EFBERN COc1cc(NC[C@@H](O)c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC001642157095 1101192689 /nfs/dbraw/zinc/19/26/89/1101192689.db2.gz FEHONEVSPVUBKM-CQSZACIVSA-N 0 0 336.319 2.897 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC001642161122 1101192937 /nfs/dbraw/zinc/19/29/37/1101192937.db2.gz NLAKZXZFKSMIQI-NSHDSACASA-N 0 0 335.795 2.920 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001642182432 1101195684 /nfs/dbraw/zinc/19/56/84/1101195684.db2.gz UDJWGKZAKUBBFC-MRVPVSSYSA-N 0 0 327.344 2.907 10 5 EFBERN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)COc2ccccc2O1 ZINC001642201551 1101196786 /nfs/dbraw/zinc/19/67/86/1101196786.db2.gz RVUXNHJFHYZLLT-KRWDZBQOSA-N 0 0 346.314 2.694 10 5 EFBERN Cc1cccc2nc(CNc3cc(F)c([N+](=O)[O-])cc3CO)cn21 ZINC001642226414 1101199695 /nfs/dbraw/zinc/19/96/95/1101199695.db2.gz AWBGZWJRALFKFP-UHFFFAOYSA-N 0 0 330.319 2.794 10 5 EFBERN CNc1c(C(=O)N2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC001642256737 1101201471 /nfs/dbraw/zinc/20/14/71/1101201471.db2.gz BUXGPQDPVLUHNZ-UHFFFAOYSA-N 0 0 327.340 2.541 10 5 EFBERN Cc1ncc2c(n1)CCC[C@H]2Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC001642251255 1101201844 /nfs/dbraw/zinc/20/18/44/1101201844.db2.gz QBWICWPGBFISDE-CQSZACIVSA-N 0 0 332.335 2.814 10 5 EFBERN NC(=O)c1cc(Oc2cncc(Br)c2)ccc1[N+](=O)[O-] ZINC001642266228 1101202712 /nfs/dbraw/zinc/20/27/12/1101202712.db2.gz QWCHENVMHWVNDI-UHFFFAOYSA-N 0 0 338.117 2.644 10 5 EFBERN COc1cc(Nc2ccc3c(c2)CC(=O)N3)c([N+](=O)[O-])cc1OC ZINC001642281624 1101204093 /nfs/dbraw/zinc/20/40/93/1101204093.db2.gz AVTVDWGLXIJJSL-UHFFFAOYSA-N 0 0 329.312 2.850 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOC[C@H]2c2ccccc2)n1 ZINC001126567590 1101205198 /nfs/dbraw/zinc/20/51/98/1101205198.db2.gz ALXXHMVAYBITBD-INIZCTEOSA-N 0 0 327.340 2.512 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(N[C@@H](CO)c2ccccc2)c2ccccc21 ZINC001642298797 1101205328 /nfs/dbraw/zinc/20/53/28/1101205328.db2.gz NCFHMMHKXIKKQT-AWEZNQCLSA-N 0 0 339.351 2.592 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1nnc(C(C)(C)C)[nH]1 ZINC001642403401 1101210801 /nfs/dbraw/zinc/21/08/01/1101210801.db2.gz DGXQCKSFLZGOOW-UHFFFAOYSA-N 0 0 331.376 2.557 10 5 EFBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1Cc2ccc(Cl)cc2C1 ZINC001642404712 1101211340 /nfs/dbraw/zinc/21/13/40/1101211340.db2.gz YHBPYZXUCLIFMK-HNNXBMFYSA-N 0 0 332.743 2.824 10 5 EFBERN COC(=O)c1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001642440579 1101214042 /nfs/dbraw/zinc/21/40/42/1101214042.db2.gz LHXPJWZBSMXHIX-UHFFFAOYSA-N 0 0 349.368 2.802 10 5 EFBERN C[S@](=N)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001642493683 1101217234 /nfs/dbraw/zinc/21/72/34/1101217234.db2.gz XAKHBOJKGWKGHS-DEOSSOPVSA-N 0 0 349.368 2.648 10 5 EFBERN CCn1ccnc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001642497372 1101217663 /nfs/dbraw/zinc/21/76/63/1101217663.db2.gz QQKVBJZRVRIIAA-UHFFFAOYSA-N 0 0 339.149 2.826 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC001642508106 1101218857 /nfs/dbraw/zinc/21/88/57/1101218857.db2.gz UEBABLUHFWAIOJ-BBRMVZONSA-N 0 0 330.315 2.682 10 5 EFBERN CC(=O)c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1N)C2 ZINC001642535755 1101220512 /nfs/dbraw/zinc/22/05/12/1101220512.db2.gz QPANDWGPTLNPSB-UHFFFAOYSA-N 0 0 325.324 2.536 10 5 EFBERN CCn1cnc2c1nc(Cl)nc2Oc1ccc([N+](=O)[O-])c(CO)c1 ZINC001642565336 1101224369 /nfs/dbraw/zinc/22/43/69/1101224369.db2.gz MZLDDDXQUXVUFR-UHFFFAOYSA-N 0 0 349.734 2.692 10 5 EFBERN Cn1c(CNc2cc[nH]c(=O)c2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC001642588752 1101225643 /nfs/dbraw/zinc/22/56/43/1101225643.db2.gz PMHQZKANHVEYLM-UHFFFAOYSA-N 0 0 333.735 2.848 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)Cc2c[nH]nc21 ZINC001642595279 1101226319 /nfs/dbraw/zinc/22/63/19/1101226319.db2.gz IEHBJAHVFFNQCE-SECBINFHSA-N 0 0 325.328 2.559 10 5 EFBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001642609007 1101226721 /nfs/dbraw/zinc/22/67/21/1101226721.db2.gz BOYMXWNHVXRALL-SNVBAGLBSA-N 0 0 343.339 2.706 10 5 EFBERN CS(=O)(=O)c1ccc(F)c(CNc2sccc2[N+](=O)[O-])c1 ZINC001642619650 1101227532 /nfs/dbraw/zinc/22/75/32/1101227532.db2.gz YYHUIZBBFYDGCL-UHFFFAOYSA-N 0 0 330.362 2.811 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCCSC3)c2c1 ZINC001642728729 1101235848 /nfs/dbraw/zinc/23/58/48/1101235848.db2.gz YNBYJCZPRSJIHT-SECBINFHSA-N 0 0 334.357 2.781 10 5 EFBERN COC(=O)c1cc(C)nc(Oc2ccc([N+](=O)[O-])c(F)c2F)n1 ZINC001642734285 1101237615 /nfs/dbraw/zinc/23/76/15/1101237615.db2.gz CSRRHRABAQTYDA-UHFFFAOYSA-N 0 0 325.227 2.550 10 5 EFBERN Cc1cc(N[C@@H](C)c2ccn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001642782264 1101241118 /nfs/dbraw/zinc/24/11/18/1101241118.db2.gz BRZOCKDZTFFOCE-LBPRGKRZSA-N 0 0 338.371 2.689 10 5 EFBERN CC(C)Oc1nc(NCc2nc(C(F)F)no2)ccc1[N+](=O)[O-] ZINC001642827732 1101245900 /nfs/dbraw/zinc/24/59/00/1101245900.db2.gz UNEVRBALSSIPOW-UHFFFAOYSA-N 0 0 329.263 2.710 10 5 EFBERN C/C(=C/C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001642841093 1101246665 /nfs/dbraw/zinc/24/66/65/1101246665.db2.gz CNZJZNNHLDQXHA-OWBHPGMISA-N 0 0 329.400 2.595 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN[C@@H](c2ccccc2)C1 ZINC001642843789 1101248277 /nfs/dbraw/zinc/24/82/77/1101248277.db2.gz XEWRBRAPQUKWAO-IBWPDUFMSA-N 0 0 337.379 2.781 10 5 EFBERN CCc1csc([C@@H](C)Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])n1 ZINC001642845560 1101248418 /nfs/dbraw/zinc/24/84/18/1101248418.db2.gz MUFTZTFLNJPDNK-MRVPVSSYSA-N 0 0 336.373 2.968 10 5 EFBERN COCc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1OC ZINC001642864212 1101250496 /nfs/dbraw/zinc/25/04/96/1101250496.db2.gz ONUTVTDQIQHUGK-UHFFFAOYSA-N 0 0 349.318 2.723 10 5 EFBERN Cc1[nH]c(C=O)cc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001642920460 1101256587 /nfs/dbraw/zinc/25/65/87/1101256587.db2.gz JJFBOHNFIOUOSK-UHFFFAOYSA-N 0 0 339.710 2.766 10 5 EFBERN Cc1ccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC001642929894 1101258082 /nfs/dbraw/zinc/25/80/82/1101258082.db2.gz XNIYKWNPMBJDRD-UHFFFAOYSA-N 0 0 339.351 2.718 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cnc(Cl)c(F)c1 ZINC001642970242 1101260364 /nfs/dbraw/zinc/26/03/64/1101260364.db2.gz FMTUMNMHPPFYDU-UHFFFAOYSA-N 0 0 346.723 2.978 10 5 EFBERN NC(=O)c1ccnc(NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001643071939 1101268460 /nfs/dbraw/zinc/26/84/60/1101268460.db2.gz VFVNEGNJAIRKDM-WCBMZHEXSA-N 0 0 344.293 2.645 10 5 EFBERN CC(C)(C)OC(=O)NC(C)(C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001643118218 1101272318 /nfs/dbraw/zinc/27/23/18/1101272318.db2.gz CALBGMKUFFXIOJ-UHFFFAOYSA-N 0 0 340.380 2.801 10 5 EFBERN CS(=O)(=O)c1ccccc1CCNc1c(F)cccc1[N+](=O)[O-] ZINC001643159443 1101275947 /nfs/dbraw/zinc/27/59/47/1101275947.db2.gz CNOMYBIJFBIDSU-UHFFFAOYSA-N 0 0 338.360 2.792 10 5 EFBERN CCC(=O)c1ccc(N2CC[C@@H](c3noc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001643181017 1101277963 /nfs/dbraw/zinc/27/79/63/1101277963.db2.gz ZADNBONUHVDASK-GFCCVEGCSA-N 0 0 330.344 2.873 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](O)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC001643190384 1101278030 /nfs/dbraw/zinc/27/80/30/1101278030.db2.gz KJMZWFUIHQAMMM-LBPRGKRZSA-N 0 0 335.291 2.658 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001643190798 1101278352 /nfs/dbraw/zinc/27/83/52/1101278352.db2.gz PRUMUIPCEHATQQ-ZDUSSCGKSA-N 0 0 335.291 2.658 10 5 EFBERN CCOC(=O)[C@@H]1C2CCC(CC2)N1CCOc1cccc([N+](=O)[O-])c1 ZINC001643189495 1101278388 /nfs/dbraw/zinc/27/83/88/1101278388.db2.gz LHNJIUQZFOKBKT-KVULBXGLSA-N 0 0 348.399 2.780 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cn1 ZINC001643195841 1101278847 /nfs/dbraw/zinc/27/88/47/1101278847.db2.gz UKHGDUNVTHZOPT-UHFFFAOYSA-N 0 0 348.746 2.878 10 5 EFBERN Cn1ccc([C@H]2CCCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n1 ZINC001643199790 1101279230 /nfs/dbraw/zinc/27/92/30/1101279230.db2.gz IZEJBIOHGVUDSE-NSHDSACASA-N 0 0 331.332 2.621 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H](CO)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC001643200037 1101279239 /nfs/dbraw/zinc/27/92/39/1101279239.db2.gz SNAIRPFNYHSBIT-ZDUSSCGKSA-N 0 0 331.328 2.909 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC001643195101 1101279480 /nfs/dbraw/zinc/27/94/80/1101279480.db2.gz BBIAWSZFCQDSGI-UHFFFAOYSA-N 0 0 348.746 2.878 10 5 EFBERN COC(=O)c1cnc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])s1 ZINC001643190895 1101279555 /nfs/dbraw/zinc/27/95/55/1101279555.db2.gz RICHTULSORFKSH-UHFFFAOYSA-N 0 0 335.341 2.653 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC(Nc2ccccn2)CC1 ZINC001643197294 1101279617 /nfs/dbraw/zinc/27/96/17/1101279617.db2.gz YANSWTQAVKHDLS-UHFFFAOYSA-N 0 0 343.343 2.979 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3CC[C@H](c4cnccn4)C3)sc2c1 ZINC001643226299 1101282449 /nfs/dbraw/zinc/28/24/49/1101282449.db2.gz VJDJMNVIJGKZOE-JTQLQIEISA-N 0 0 327.369 2.988 10 5 EFBERN CCOC(=O)c1ccnc(NC2CC3(C2)CO[C@H](C)C3)c1[N+](=O)[O-] ZINC001643237165 1101284058 /nfs/dbraw/zinc/28/40/58/1101284058.db2.gz GSTCMJOSSQNLMP-VHTNMKBUSA-N 0 0 335.360 2.536 10 5 EFBERN CCOc1cccc(N2CCC(Nc3cccnc3[N+](=O)[O-])CC2)n1 ZINC001643270785 1101286028 /nfs/dbraw/zinc/28/60/28/1101286028.db2.gz NERBUVDOXRTUDX-UHFFFAOYSA-N 0 0 343.387 2.864 10 5 EFBERN COC(=O)C=Cc1ccc(NCc2cc(C)c[nH]c2=O)c([N+](=O)[O-])c1 ZINC001643274946 1101287086 /nfs/dbraw/zinc/28/70/86/1101287086.db2.gz QHLZNDWWMKNCKZ-GQCTYLIASA-N 0 0 343.339 2.802 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001643273112 1101287307 /nfs/dbraw/zinc/28/73/07/1101287307.db2.gz QVWBBFBNUVAYFN-VXNVDRBHSA-N 0 0 332.282 2.507 10 5 EFBERN Cc1cccc(C2=CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)c1C ZINC001643298798 1101288392 /nfs/dbraw/zinc/28/83/92/1101288392.db2.gz ZPRYSEZVRAWMEM-UHFFFAOYSA-N 0 0 325.372 2.878 10 5 EFBERN Nc1nccc2c1CN(c1nc3ccc([N+](=O)[O-])cc3s1)CC2 ZINC001643301509 1101288567 /nfs/dbraw/zinc/28/85/67/1101288567.db2.gz FVTFRLZDZWJSCD-UHFFFAOYSA-N 0 0 327.369 2.744 10 5 EFBERN O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001643314728 1101289464 /nfs/dbraw/zinc/28/94/64/1101289464.db2.gz RVZYQWKDIJFTQH-RDJZCZTQSA-N 0 0 344.298 2.691 10 5 EFBERN O=c1[nH]ccc(N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001643327180 1101290775 /nfs/dbraw/zinc/29/07/75/1101290775.db2.gz IMEZWOQRXUWBQD-SUMWQHHRSA-N 0 0 343.339 2.790 10 5 EFBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[C@H]1CCCC12CCOCC2 ZINC001643357897 1101292999 /nfs/dbraw/zinc/29/29/99/1101292999.db2.gz ZLOOBEZPNGRUKH-GFCCVEGCSA-N 0 0 344.367 2.788 10 5 EFBERN CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001643376356 1101294503 /nfs/dbraw/zinc/29/45/03/1101294503.db2.gz QRKVPPFOUIBNKD-CQSZACIVSA-N 0 0 341.367 2.784 10 5 EFBERN CCc1csc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC001643382119 1101294604 /nfs/dbraw/zinc/29/46/04/1101294604.db2.gz KFIGTKNHPHIDMP-SSDOTTSWSA-N 0 0 338.364 2.826 10 5 EFBERN COc1cccc(C(=O)CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001643388147 1101295718 /nfs/dbraw/zinc/29/57/18/1101295718.db2.gz YXHGFVODSQVXKB-GFCCVEGCSA-N 0 0 342.351 2.706 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001643472674 1101301536 /nfs/dbraw/zinc/30/15/36/1101301536.db2.gz KNLXCGLBUUGRRV-BLLLJJGKSA-N 0 0 329.331 2.932 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2Cl)CC1 ZINC001643463300 1101302369 /nfs/dbraw/zinc/30/23/69/1101302369.db2.gz RBKZFRZXDIQFPX-UHFFFAOYSA-N 0 0 332.747 2.645 10 5 EFBERN COC(=O)c1ccnc(NCc2ccc3cccnc3c2)c1[N+](=O)[O-] ZINC001651320870 1101308360 /nfs/dbraw/zinc/30/83/60/1101308360.db2.gz NBYSUUZMGQMXGJ-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2Cc3ccccc3N(C)C2)c1 ZINC001651332030 1101312723 /nfs/dbraw/zinc/31/27/23/1101312723.db2.gz OPUXXKOEOBLTCQ-AWEZNQCLSA-N 0 0 341.367 2.854 10 5 EFBERN COC(=O)c1ccnc(N(C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC001651344471 1101313129 /nfs/dbraw/zinc/31/31/29/1101313129.db2.gz FIXQYZCAZSSLSM-UHFFFAOYSA-N 0 0 337.282 2.691 10 5 EFBERN CC(C)(NC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC001625792396 1101323064 /nfs/dbraw/zinc/32/30/64/1101323064.db2.gz GHDFXPUQKPUMFF-UHFFFAOYSA-N 0 0 326.715 2.776 10 5 EFBERN CCOC(=O)c1ccnc(NCc2cc(C3CC3)no2)c1[N+](=O)[O-] ZINC001651403807 1101323570 /nfs/dbraw/zinc/32/35/70/1101323570.db2.gz RNBHKDVUEJONRU-UHFFFAOYSA-N 0 0 332.316 2.644 10 5 EFBERN O=[N+]([O-])c1cc(F)c(N[C@H]2CCCN3CCSC[C@@H]23)c(F)c1 ZINC001651411826 1101324447 /nfs/dbraw/zinc/32/44/47/1101324447.db2.gz LRYDIDLEDTZBFM-STQMWFEESA-N 0 0 329.372 2.865 10 5 EFBERN CS(=O)(=O)c1ccc(Sc2cccc(CO)c2)c([N+](=O)[O-])c1 ZINC001651415679 1101326979 /nfs/dbraw/zinc/32/69/79/1101326979.db2.gz HSKMUCBGIBDDAI-UHFFFAOYSA-N 0 0 339.394 2.642 10 5 EFBERN CC(C)OC(=O)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001651429245 1101328152 /nfs/dbraw/zinc/32/81/52/1101328152.db2.gz GMTVYNBDLHCVNB-UHFFFAOYSA-N 0 0 332.360 2.639 10 5 EFBERN CCc1onc(C)c1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001651449045 1101329515 /nfs/dbraw/zinc/32/95/15/1101329515.db2.gz CNJBXWRDAGYAIH-UHFFFAOYSA-N 0 0 334.332 2.556 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)OCc2ccn(-c3ccccc3)n2)n1 ZINC001266283689 1101329839 /nfs/dbraw/zinc/32/98/39/1101329839.db2.gz DKASBGJDPVFYRG-UHFFFAOYSA-N 0 0 338.323 2.841 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccn2)c(Br)c1 ZINC001651438297 1101330661 /nfs/dbraw/zinc/33/06/61/1101330661.db2.gz HEEQRLMQALNHKH-ZDUSSCGKSA-N 0 0 338.161 2.898 10 5 EFBERN C[C@@]1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1(Cl)Cl ZINC000828798498 1101335734 /nfs/dbraw/zinc/33/57/34/1101335734.db2.gz LADRGWIHSAGEBZ-LBPRGKRZSA-N 0 0 346.170 2.922 10 5 EFBERN NC(=O)CC[C@@H]1CCCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001651482202 1101335775 /nfs/dbraw/zinc/33/57/75/1101335775.db2.gz AJFLJSRRSRBQFS-LBPRGKRZSA-N 0 0 328.372 2.625 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC(CO)(C(F)(F)F)CC1 ZINC001651481104 1101336860 /nfs/dbraw/zinc/33/68/60/1101336860.db2.gz GHJIYJFCVWAUNS-UHFFFAOYSA-N 0 0 349.265 2.644 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H]2CCCC(C)(C)O2)c1[N+](=O)[O-] ZINC001651492924 1101338923 /nfs/dbraw/zinc/33/89/23/1101338923.db2.gz RPQXBFFVZHXVPJ-LLVKDONJSA-N 0 0 337.376 2.844 10 5 EFBERN CCc1nn(C)c(NCC(F)(F)C2(O)CCCCC2)c1[N+](=O)[O-] ZINC001651509180 1101339700 /nfs/dbraw/zinc/33/97/00/1101339700.db2.gz DSMAEMKIVUWJPV-UHFFFAOYSA-N 0 0 332.351 2.633 10 5 EFBERN CCC(CC)[C@@H](O)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651532611 1101343510 /nfs/dbraw/zinc/34/35/10/1101343510.db2.gz FDRMTMLXCIYBGE-HNNXBMFYSA-N 0 0 348.359 2.682 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1(C)C ZINC001651528478 1101343865 /nfs/dbraw/zinc/34/38/65/1101343865.db2.gz ZNQDXMCWPNZVIA-LLVKDONJSA-N 0 0 337.380 2.585 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001651527370 1101344084 /nfs/dbraw/zinc/34/40/84/1101344084.db2.gz NLHNFRUVDJZOQB-WCBMZHEXSA-N 0 0 336.373 2.743 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@](O)(c2ccccc2)C(F)(F)F)c(F)c1 ZINC001651532495 1101344181 /nfs/dbraw/zinc/34/41/81/1101344181.db2.gz BGZLJEITAPYMQV-ZDUSSCGKSA-N 0 0 345.252 2.991 10 5 EFBERN O=c1[nH]c2ccccc2cc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC001651526859 1101344315 /nfs/dbraw/zinc/34/43/15/1101344315.db2.gz GGOHOYFNYFNNOW-UHFFFAOYSA-N 0 0 330.731 2.931 10 5 EFBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cccc2ncccc12 ZINC001651553329 1101348159 /nfs/dbraw/zinc/34/81/59/1101348159.db2.gz YKTHWLONNSLQAN-UHFFFAOYSA-N 0 0 333.303 2.939 10 5 EFBERN NC(=O)c1ccc(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC001651592990 1101353431 /nfs/dbraw/zinc/35/34/31/1101353431.db2.gz VHLIHPBEWTUTGL-UHFFFAOYSA-N 0 0 329.234 2.918 10 5 EFBERN Cn1nc(C(F)(F)F)cc1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001651599737 1101354294 /nfs/dbraw/zinc/35/42/94/1101354294.db2.gz ZOYCRLMYHFHOGU-UHFFFAOYSA-N 0 0 329.234 2.739 10 5 EFBERN Cc1cc(N[C@@H](CC(N)=O)c2ccccc2Cl)ncc1[N+](=O)[O-] ZINC001651592802 1101354831 /nfs/dbraw/zinc/35/48/31/1101354831.db2.gz LTDFAWYKOYBJBU-LBPRGKRZSA-N 0 0 334.763 2.980 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)c2nnc(C)o2)cc1C ZINC001651630286 1101356848 /nfs/dbraw/zinc/35/68/48/1101356848.db2.gz ROHOHFBIJGZUGY-SECBINFHSA-N 0 0 334.332 2.944 10 5 EFBERN Cn1cnnc1SCc1cc([N+](=O)[O-])ccc1Br ZINC001651627153 1101358401 /nfs/dbraw/zinc/35/84/01/1101358401.db2.gz UJZAOCFBHORUCS-UHFFFAOYSA-N 0 0 329.179 2.778 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001651662940 1101362643 /nfs/dbraw/zinc/36/26/43/1101362643.db2.gz SAEDGTGKNXNVTB-ZDUSSCGKSA-N 0 0 325.386 2.779 10 5 EFBERN CCc1nccn1CCNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001651660179 1101363698 /nfs/dbraw/zinc/36/36/98/1101363698.db2.gz DJXDQEHKCIMMLM-HNNXBMFYSA-N 0 0 344.415 2.739 10 5 EFBERN CC(C)(CCC(=O)NCCc1nc(-c2ccccc2)c[nH]1)[N+](=O)[O-] ZINC001651657931 1101364260 /nfs/dbraw/zinc/36/42/60/1101364260.db2.gz PWQVGLSZVJVMRR-UHFFFAOYSA-N 0 0 330.388 2.571 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1noc(C(C)(C)C)n1 ZINC001651662772 1101364277 /nfs/dbraw/zinc/36/42/77/1101364277.db2.gz QVJOWCOBIYMNPL-UHFFFAOYSA-N 0 0 339.373 2.558 10 5 EFBERN Cc1ccc2[nH]c([C@@H]3CCCN(c4nn(C)cc4[N+](=O)[O-])C3)nc2c1 ZINC001651678619 1101364965 /nfs/dbraw/zinc/36/49/65/1101364965.db2.gz VUPSTDCUUSACLB-GFCCVEGCSA-N 0 0 340.387 2.897 10 5 EFBERN Cc1nn(C)c(C)c1CC(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000784936174 1101366383 /nfs/dbraw/zinc/36/63/83/1101366383.db2.gz HJQWTYMUJJKYCW-UHFFFAOYSA-N 0 0 349.412 2.823 10 5 EFBERN O=C(Nc1ccc2c(c1)C=CC1(CCC1)O2)c1c[nH]nc1[N+](=O)[O-] ZINC001651717513 1101373354 /nfs/dbraw/zinc/37/33/54/1101373354.db2.gz FDHDYBKRVFYGMW-UHFFFAOYSA-N 0 0 326.312 2.899 10 5 EFBERN CO[C@@H](CC(C)C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651755350 1101377046 /nfs/dbraw/zinc/37/70/46/1101377046.db2.gz IWPILWOUZJJNAL-HNNXBMFYSA-N 0 0 348.403 2.581 10 5 EFBERN CCOC(=O)c1cc(NCc2cccc([N+](=O)[O-])c2C)nc(C)n1 ZINC001651746799 1101378053 /nfs/dbraw/zinc/37/80/53/1101378053.db2.gz RSBAODHNMRRLHM-UHFFFAOYSA-N 0 0 330.344 2.790 10 5 EFBERN COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1nn(C)cc1[N+](=O)[O-] ZINC001651806243 1101386792 /nfs/dbraw/zinc/38/67/92/1101386792.db2.gz IWLGYIKVLSICPF-CYBMUJFWSA-N 0 0 335.385 2.513 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2cc(F)c(F)cc2Br)n1 ZINC001651827050 1101391469 /nfs/dbraw/zinc/39/14/69/1101391469.db2.gz MRWSCNAMSIWFFZ-UHFFFAOYSA-N 0 0 347.119 2.981 10 5 EFBERN C[C@@H]1CN(C(=O)COc2cc([N+](=O)[O-])ccc2Cl)CC(C)(C)O1 ZINC001651840382 1101393857 /nfs/dbraw/zinc/39/38/57/1101393857.db2.gz MHVGGRJCEMIXLR-SNVBAGLBSA-N 0 0 342.779 2.653 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@@H](O)c1ccc(Cl)cc1 ZINC001651867423 1101397121 /nfs/dbraw/zinc/39/71/21/1101397121.db2.gz RHAKQUASURSSKQ-GFCCVEGCSA-N 0 0 329.139 2.797 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(SCc2nc3ccccc3[nH]2)n1 ZINC001651928206 1101407325 /nfs/dbraw/zinc/40/73/25/1101407325.db2.gz QPPDOOJRIFHBDF-UHFFFAOYSA-N 0 0 344.352 2.945 10 5 EFBERN O=C1C[C@@H](Oc2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)N1 ZINC001651940183 1101407584 /nfs/dbraw/zinc/40/75/84/1101407584.db2.gz YFYAPOSFNYENQU-CYBMUJFWSA-N 0 0 334.719 2.612 10 5 EFBERN COC(=O)/C=C\c1ccc(NCc2ncccc2OC)c([N+](=O)[O-])c1 ZINC001651948609 1101409507 /nfs/dbraw/zinc/40/95/07/1101409507.db2.gz IEDRTPOHVIWRLL-VURMDHGXSA-N 0 0 343.339 2.797 10 5 EFBERN Cc1cc(N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)ncc1[N+](=O)[O-] ZINC001651967000 1101411112 /nfs/dbraw/zinc/41/11/12/1101411112.db2.gz LOSASXVHDWVJBD-TZMCWYRMSA-N 0 0 348.403 2.744 10 5 EFBERN CCOc1ccccc1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC001651966712 1101411645 /nfs/dbraw/zinc/41/16/45/1101411645.db2.gz YYHNPRIRHQEUEL-UHFFFAOYSA-N 0 0 341.323 2.859 10 5 EFBERN CC(=O)Nc1cccc(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC001651961811 1101411771 /nfs/dbraw/zinc/41/17/71/1101411771.db2.gz UAQQBHZHVYZEPP-UHFFFAOYSA-N 0 0 327.296 2.509 10 5 EFBERN O=C(Cn1cnc2sc([N+](=O)[O-])cc2c1=O)c1ccc(Cl)cc1 ZINC001651971414 1101412792 /nfs/dbraw/zinc/41/27/92/1101412792.db2.gz KCEFXZDQYRXZEJ-UHFFFAOYSA-N 0 0 349.755 2.903 10 5 EFBERN Cc1ccc([C@@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001651984059 1101415355 /nfs/dbraw/zinc/41/53/55/1101415355.db2.gz HFFRQXKKJFNOKS-ZBEGNZNMSA-N 0 0 329.356 2.536 10 5 EFBERN O=[N+]([O-])c1cn(Cc2nnsc2Cl)nc1-c1ccc(F)cn1 ZINC001652007341 1101418511 /nfs/dbraw/zinc/41/85/11/1101418511.db2.gz DYYAMCMBTBREMQ-UHFFFAOYSA-N 0 0 340.727 2.546 10 5 EFBERN Cc1nn(Cc2noc(-c3c(F)cccc3Cl)n2)cc1[N+](=O)[O-] ZINC001652018239 1101418657 /nfs/dbraw/zinc/41/86/57/1101418657.db2.gz BGFIENDGEBOQGN-UHFFFAOYSA-N 0 0 337.698 2.991 10 5 EFBERN C[C@@H](C(=O)OCCSc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000784940074 1101418959 /nfs/dbraw/zinc/41/89/59/1101418959.db2.gz WVOYKTDTIYPFQA-LLVKDONJSA-N 0 0 335.385 2.767 10 5 EFBERN Cn1cnc2cc(CNC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc21 ZINC001652040699 1101424711 /nfs/dbraw/zinc/42/47/11/1101424711.db2.gz WAMMVFOMRUSUEX-UHFFFAOYSA-N 0 0 349.350 2.893 10 5 EFBERN O=[N+]([O-])c1c(NC[C@H](n2cccn2)C(F)(F)F)nc2ccccn21 ZINC001652079196 1101430043 /nfs/dbraw/zinc/43/00/43/1101430043.db2.gz LZUIIZQAVRJQLE-VIFPVBQESA-N 0 0 340.265 2.655 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1C ZINC001652124692 1101438805 /nfs/dbraw/zinc/43/88/05/1101438805.db2.gz ANZXSZKEURACII-LTYOYNHOSA-N 0 0 346.383 2.915 10 5 EFBERN O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1cnn2cccnc12 ZINC000784940940 1101438827 /nfs/dbraw/zinc/43/88/27/1101438827.db2.gz XILPFXUQHLTBBR-UHFFFAOYSA-N 0 0 344.352 2.587 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@H](O)c1ccncc1 ZINC001652131840 1101441185 /nfs/dbraw/zinc/44/11/85/1101441185.db2.gz QWZDLLDOGCXIAP-AWEZNQCLSA-N 0 0 344.758 2.759 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2nc(-c3cccs3)oc2C)c1=O ZINC001652135807 1101441568 /nfs/dbraw/zinc/44/15/68/1101441568.db2.gz BFLSCNVUDHXUCR-UHFFFAOYSA-N 0 0 347.352 2.838 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H]2CCC(C)(C)CO2)c1[N+](=O)[O-] ZINC001652171573 1101446755 /nfs/dbraw/zinc/44/67/55/1101446755.db2.gz RFPKVCHDIXSRAZ-LLVKDONJSA-N 0 0 337.376 2.702 10 5 EFBERN COC(=O)/C=C\c1ccc(NCCc2ccns2)c([N+](=O)[O-])c1 ZINC001652168310 1101447468 /nfs/dbraw/zinc/44/74/68/1101447468.db2.gz OJGTYRXJKQRFQC-HYXAFXHYSA-N 0 0 333.369 2.892 10 5 EFBERN CCCn1cc(CNc2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])nn1 ZINC001652189220 1101448811 /nfs/dbraw/zinc/44/88/11/1101448811.db2.gz RNWNWJSUGUTRTE-UHFFFAOYSA-N 0 0 347.375 2.694 10 5 EFBERN CON(Cc1ccc(C)o1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001652226369 1101454651 /nfs/dbraw/zinc/45/46/51/1101454651.db2.gz YQRAFABJRYUDEX-UHFFFAOYSA-N 0 0 349.299 2.917 10 5 EFBERN CCc1noc(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)n1 ZINC001652227631 1101454870 /nfs/dbraw/zinc/45/48/70/1101454870.db2.gz CWSUWHINDXYQFQ-UHFFFAOYSA-N 0 0 334.723 2.500 10 5 EFBERN C[C@@H](Sc1nc(CO)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001652230537 1101456554 /nfs/dbraw/zinc/45/65/54/1101456554.db2.gz AHQLAQZDLQOAOJ-MRVPVSSYSA-N 0 0 339.398 2.663 10 5 EFBERN CN(CCc1ccc2c(c1)OCO2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001652236896 1101457126 /nfs/dbraw/zinc/45/71/26/1101457126.db2.gz VCFUNEFFWFHJDP-UHFFFAOYSA-N 0 0 340.339 2.879 10 5 EFBERN CCN(C(=O)CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC001652233809 1101457265 /nfs/dbraw/zinc/45/72/65/1101457265.db2.gz CLPBONFQVMKQCV-UHFFFAOYSA-N 0 0 339.355 2.936 10 5 EFBERN O=c1[nH]cc(CNc2c(Cl)cncc2[N+](=O)[O-])c2ccccc12 ZINC001652243324 1101458204 /nfs/dbraw/zinc/45/82/04/1101458204.db2.gz YGGDEZWKTRXSED-UHFFFAOYSA-N 0 0 330.731 2.931 10 5 EFBERN Cc1nc(NCCc2ccc3c(c2)OCCCO3)ncc1[N+](=O)[O-] ZINC001652239786 1101458849 /nfs/dbraw/zinc/45/88/49/1101458849.db2.gz YMEMAOISUMWAMC-UHFFFAOYSA-N 0 0 330.344 2.509 10 5 EFBERN NC(=O)c1cc(NCc2c[nH]c(=O)c3ccccc23)ccc1[N+](=O)[O-] ZINC001652243266 1101458998 /nfs/dbraw/zinc/45/89/98/1101458998.db2.gz VUQROAQUZUOXMC-UHFFFAOYSA-N 0 0 338.323 2.560 10 5 EFBERN COC[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(C)C ZINC001652264419 1101462538 /nfs/dbraw/zinc/46/25/38/1101462538.db2.gz QFUIXYNMIWITLF-GFCCVEGCSA-N 0 0 335.404 2.818 10 5 EFBERN CC(C)c1nc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c[nH]1 ZINC001652269657 1101464368 /nfs/dbraw/zinc/46/43/68/1101464368.db2.gz CDVRAHMFRXOZHU-UHFFFAOYSA-N 0 0 332.286 2.806 10 5 EFBERN Cc1oncc1CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC001652270599 1101464623 /nfs/dbraw/zinc/46/46/23/1101464623.db2.gz VWVAVAFQKVJAKO-UHFFFAOYSA-N 0 0 327.138 2.969 10 5 EFBERN CS(=O)(=O)c1ccc(NC2CC(Cl)(Cl)C2)c([N+](=O)[O-])c1 ZINC001652267443 1101465114 /nfs/dbraw/zinc/46/51/14/1101465114.db2.gz PDYMVUKDNRMHEN-UHFFFAOYSA-N 0 0 339.200 2.747 10 5 EFBERN CC(F)(F)CN1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001652272990 1101466885 /nfs/dbraw/zinc/46/68/85/1101466885.db2.gz LVJXOACXMSSNOH-UHFFFAOYSA-N 0 0 340.374 2.646 10 5 EFBERN CCOc1cccc(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)n1 ZINC001652300223 1101471197 /nfs/dbraw/zinc/47/11/97/1101471197.db2.gz RTWMUIBSPKNGMT-UHFFFAOYSA-N 0 0 343.387 2.864 10 5 EFBERN Cc1ncc(CSc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 ZINC001652300359 1101471254 /nfs/dbraw/zinc/47/12/54/1101471254.db2.gz YVASBNCMXAWIAD-UHFFFAOYSA-N 0 0 334.400 2.649 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC001652308007 1101474085 /nfs/dbraw/zinc/47/40/85/1101474085.db2.gz SRVKQRALIDZSMZ-NEPJUHHUSA-N 0 0 337.376 2.921 10 5 EFBERN O=c1ccnc([C@H]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)CC2)[nH]1 ZINC001652318000 1101476013 /nfs/dbraw/zinc/47/60/13/1101476013.db2.gz KIGBUKZYVQGZGL-MGCOHNPYSA-N 0 0 333.323 2.763 10 5 EFBERN Cc1cccnc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001652320275 1101476909 /nfs/dbraw/zinc/47/69/09/1101476909.db2.gz HPRONJREYGPXQV-NSHDSACASA-N 0 0 335.385 2.875 10 5 EFBERN CO[C@@H]1CCCC[C@@H]1OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067053917 1101484768 /nfs/dbraw/zinc/48/47/68/1101484768.db2.gz KUQYQZFJKRIJBW-CVEARBPZSA-N 0 0 345.355 2.895 10 5 EFBERN Cc1nc(C)c(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC001652482644 1101497458 /nfs/dbraw/zinc/49/74/58/1101497458.db2.gz KPOWNLHRFKZGAW-UHFFFAOYSA-N 0 0 326.399 2.950 10 5 EFBERN COc1cccc(-n2ccnc2SCc2cn(C)nc2[N+](=O)[O-])c1 ZINC001652506764 1101505777 /nfs/dbraw/zinc/50/57/77/1101505777.db2.gz JCNFRDGXRPPTQQ-UHFFFAOYSA-N 0 0 345.384 2.815 10 5 EFBERN O=C(Nc1cccc(-c2ccon2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001652525406 1101507414 /nfs/dbraw/zinc/50/74/14/1101507414.db2.gz YXSCOAOALUGKDD-MRXNPFEDSA-N 0 0 339.307 2.922 10 5 EFBERN CS(=O)(=O)c1nc2ccccc2n1/C=C\c1ccc([N+](=O)[O-])o1 ZINC001652541967 1101511658 /nfs/dbraw/zinc/51/16/58/1101511658.db2.gz SZXWYMOEIDAVNK-HJWRWDBZSA-N 0 0 333.325 2.569 10 5 EFBERN Cn1cc(CSc2n[nH]c(C=Cc3ccccc3)n2)c([N+](=O)[O-])n1 ZINC001652589151 1101516897 /nfs/dbraw/zinc/51/68/97/1101516897.db2.gz PYOVXECSHLXTPK-BQYQJAHWSA-N 0 0 342.384 2.909 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cnccn2)C1 ZINC001652589675 1101517673 /nfs/dbraw/zinc/51/76/73/1101517673.db2.gz GABYXUDUSJHMFV-LLVKDONJSA-N 0 0 344.396 2.736 10 5 EFBERN Cc1nn(Cc2cc3ccccc3n(C)c2=O)c2ncc([N+](=O)[O-])cc12 ZINC001652686323 1101532029 /nfs/dbraw/zinc/53/20/29/1101532029.db2.gz QIDUTQIUEDTLCN-UHFFFAOYSA-N 0 0 349.350 2.548 10 5 EFBERN Cc1cc(=O)n(Cc2coc(-c3ccccc3F)n2)cc1[N+](=O)[O-] ZINC001652720401 1101534783 /nfs/dbraw/zinc/53/47/83/1101534783.db2.gz DDGPTDYRPWANIB-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCOCc1ccccc1 ZINC001652732749 1101536345 /nfs/dbraw/zinc/53/63/45/1101536345.db2.gz DOFDEVOXDQRWHX-UHFFFAOYSA-N 0 0 341.323 2.628 10 5 EFBERN Cc1nn(Cc2nc(COC(C)C)no2)c2ccc([N+](=O)[O-])cc12 ZINC001652727312 1101537959 /nfs/dbraw/zinc/53/79/59/1101537959.db2.gz UPWGZFKLUABGJW-UHFFFAOYSA-N 0 0 331.332 2.609 10 5 EFBERN COc1cc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2cc1OC ZINC001167419985 1101551111 /nfs/dbraw/zinc/55/11/11/1101551111.db2.gz COPJKLYWOVIYGV-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN Nc1nc(SC[C@H]2CCC[C@H](C(F)(F)F)O2)ncc1[N+](=O)[O-] ZINC001652848515 1101556690 /nfs/dbraw/zinc/55/66/90/1101556690.db2.gz AZRJMJKZWULHRG-HTRCEHHLSA-N 0 0 338.311 2.559 10 5 EFBERN CNc1c(C(=O)NCc2c(F)cccc2OC)cccc1[N+](=O)[O-] ZINC001652912099 1101564199 /nfs/dbraw/zinc/56/41/99/1101564199.db2.gz AJYRUXFKEJBFCQ-UHFFFAOYSA-N 0 0 333.319 2.714 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)c1c[nH]c2ncccc12 ZINC001652962799 1101571585 /nfs/dbraw/zinc/57/15/85/1101571585.db2.gz ZMQHNZKPWZMNFE-UHFFFAOYSA-N 0 0 348.322 2.613 10 5 EFBERN Cc1nn(CCC(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC001652969798 1101572118 /nfs/dbraw/zinc/57/21/18/1101572118.db2.gz UWKQKOQNUBUVGP-HOTGVXAUSA-N 0 0 346.431 2.835 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001143376452 1101575547 /nfs/dbraw/zinc/57/55/47/1101575547.db2.gz FMAWDNVDXMMUKK-SSDOTTSWSA-N 0 0 338.314 2.633 10 5 EFBERN Cc1cc(=O)n(CC(=O)c2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC001653050996 1101580110 /nfs/dbraw/zinc/58/01/10/1101580110.db2.gz OXSPAKBHGDYCPH-UHFFFAOYSA-N 0 0 340.257 2.967 10 5 EFBERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC001653157779 1101592159 /nfs/dbraw/zinc/59/21/59/1101592159.db2.gz UMNZFMJFPGZLNR-HIFRSBDPSA-N 0 0 331.416 2.994 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1nnc(-c3ccccc3O)o1)CC2 ZINC001653204239 1101594947 /nfs/dbraw/zinc/59/49/47/1101594947.db2.gz IOXFKYLFTWMKPZ-UHFFFAOYSA-N 0 0 338.323 2.913 10 5 EFBERN Cc1ccc(NC(=O)CCNC(=O)C2CCCCC2)c(N)c1[N+](=O)[O-] ZINC001653215309 1101597394 /nfs/dbraw/zinc/59/73/94/1101597394.db2.gz UMDRPNLOABJEBJ-UHFFFAOYSA-N 0 0 348.403 2.511 10 5 EFBERN Cc1ccc(NC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)c(N)c1[N+](=O)[O-] ZINC001653218385 1101598586 /nfs/dbraw/zinc/59/85/86/1101598586.db2.gz WQUQZGXQHMEIGP-PSASIEDQSA-N 0 0 347.293 2.924 10 5 EFBERN Cc1ccc(NC(=O)c2ccnn2CC2CCC2)c(N)c1[N+](=O)[O-] ZINC001653218075 1101599559 /nfs/dbraw/zinc/59/95/59/1101599559.db2.gz SGUKQSKZMVPWTO-UHFFFAOYSA-N 0 0 329.360 2.734 10 5 EFBERN O=C(NC/C=C/Cl)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001653351769 1101613700 /nfs/dbraw/zinc/61/37/00/1101613700.db2.gz VKFDBIJIFINIJI-OWOJBTEDSA-N 0 0 337.532 2.979 10 5 EFBERN C[C@@]1(C2CC2)COCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001653373528 1101614820 /nfs/dbraw/zinc/61/48/20/1101614820.db2.gz LOIYULZRJKEVKO-INIZCTEOSA-N 0 0 338.791 2.818 10 5 EFBERN CC(C)c1ccc(C(=O)N(C)C[C@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC001653447520 1101623453 /nfs/dbraw/zinc/62/34/53/1101623453.db2.gz LBTVQSMJGALFQJ-KRWDZBQOSA-N 0 0 343.383 2.919 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccnn1C1CC1 ZINC001653589594 1101634484 /nfs/dbraw/zinc/63/44/84/1101634484.db2.gz LOOLLEMEILIKFR-UHFFFAOYSA-N 0 0 328.328 2.728 10 5 EFBERN Cc1cccnc1[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001653659474 1101640671 /nfs/dbraw/zinc/64/06/71/1101640671.db2.gz ZAYJQPDLBOCINV-LLVKDONJSA-N 0 0 343.339 2.560 10 5 EFBERN C[C@H](c1ccccc1)N(CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001653686143 1101641882 /nfs/dbraw/zinc/64/18/82/1101641882.db2.gz HILZEURIDLSXLZ-GFCCVEGCSA-N 0 0 331.347 2.782 10 5 EFBERN COc1ccc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc1OCCO ZINC001653769996 1101649521 /nfs/dbraw/zinc/64/95/21/1101649521.db2.gz WLNSXCXJJGACQO-UHFFFAOYSA-N 0 0 346.339 2.535 10 5 EFBERN COc1c(C(=O)Nc2cc(-c3cccnc3)[nH]n2)cccc1[N+](=O)[O-] ZINC001653846109 1101655680 /nfs/dbraw/zinc/65/56/80/1101655680.db2.gz OZWIASIVCHNNQH-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN Cc1cc(C)c2c(c1)CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001653983023 1101665577 /nfs/dbraw/zinc/66/55/77/1101665577.db2.gz PXEKXNKLBLAUGZ-GOSISDBHSA-N 0 0 340.379 2.830 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001653994708 1101668353 /nfs/dbraw/zinc/66/83/53/1101668353.db2.gz JQDOJNDBYQOFLJ-OUCADQQQSA-N 0 0 345.380 2.768 10 5 EFBERN Cc1ccc(N(CC(C)C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC001654127771 1101684050 /nfs/dbraw/zinc/68/40/50/1101684050.db2.gz VPXHPFRUNXUPMV-KRWDZBQOSA-N 0 0 346.431 2.932 10 5 EFBERN Cc1ccc(N(CC(C)C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC001654127772 1101684375 /nfs/dbraw/zinc/68/43/75/1101684375.db2.gz VPXHPFRUNXUPMV-QGZVFWFLSA-N 0 0 346.431 2.932 10 5 EFBERN COC(=O)c1ccccc1N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001654179711 1101690554 /nfs/dbraw/zinc/69/05/54/1101690554.db2.gz PWAJXGWQLNVWEV-UHFFFAOYSA-N 0 0 330.340 2.897 10 5 EFBERN Cc1cc(F)ccc1C(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC001654212670 1101692700 /nfs/dbraw/zinc/69/27/00/1101692700.db2.gz SJYZXIAIYUAPEC-UHFFFAOYSA-N 0 0 346.362 2.612 10 5 EFBERN CCc1ccnc(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001654216575 1101695240 /nfs/dbraw/zinc/69/52/40/1101695240.db2.gz GQHJOOFFFPLZNU-UHFFFAOYSA-N 0 0 346.362 2.558 10 5 EFBERN CC(C)CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1=O ZINC001654242296 1101696845 /nfs/dbraw/zinc/69/68/45/1101696845.db2.gz QMXOBSDVVMRPTG-LBPRGKRZSA-N 0 0 339.823 2.937 10 5 EFBERN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[NH+]1CCCCC1 ZINC001654241253 1101697193 /nfs/dbraw/zinc/69/71/93/1101697193.db2.gz KPKQOHGRGFDJHP-JTQLQIEISA-N 0 0 341.795 2.558 10 5 EFBERN C[C@]1(CO)CN(Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2O1 ZINC001654438755 1101718175 /nfs/dbraw/zinc/71/81/75/1101718175.db2.gz UIRTYIQJOZNLHM-QGZVFWFLSA-N 0 0 332.331 2.884 10 5 EFBERN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC001654466250 1101719962 /nfs/dbraw/zinc/71/99/62/1101719962.db2.gz UAJCRKZVSJVHPH-SECBINFHSA-N 0 0 349.778 2.529 10 5 EFBERN COc1cncc(N2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC001654521228 1101727212 /nfs/dbraw/zinc/72/72/12/1101727212.db2.gz SBBLJUHZXOXTAX-UHFFFAOYSA-N 0 0 342.399 2.629 10 5 EFBERN CCc1nocc1CN(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001654530443 1101730144 /nfs/dbraw/zinc/73/01/44/1101730144.db2.gz WBYAOICGOVCMRF-UHFFFAOYSA-N 0 0 343.343 2.827 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2CO1 ZINC001654574993 1101734893 /nfs/dbraw/zinc/73/48/93/1101734893.db2.gz MRMVOHJTICKUKR-UHFFFAOYSA-N 0 0 327.340 2.789 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCc4ncncc4C3)co2)cc1 ZINC001654616802 1101740474 /nfs/dbraw/zinc/74/04/74/1101740474.db2.gz OKYMNJSKKBMMPN-UHFFFAOYSA-N 0 0 337.339 2.598 10 5 EFBERN Nc1c(C(=O)N2CCC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC001143384156 1101743906 /nfs/dbraw/zinc/74/39/06/1101743906.db2.gz UAJVYATZYNRPDI-ZDUSSCGKSA-N 0 0 326.356 2.592 10 5 EFBERN O=C(Nc1cc(-c2cccs2)on1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001654697739 1101750419 /nfs/dbraw/zinc/75/04/19/1101750419.db2.gz ACSPBRLKKXTFEG-UHFFFAOYSA-N 0 0 332.297 2.664 10 5 EFBERN CC(=O)c1ccc(OS(=O)(=O)C2(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001654708194 1101750628 /nfs/dbraw/zinc/75/06/28/1101750628.db2.gz JNKBPTHNSFBJOC-UHFFFAOYSA-N 0 0 327.358 2.695 10 5 EFBERN O=C1NCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1CC1CCCCC1 ZINC001654766861 1101754938 /nfs/dbraw/zinc/75/49/38/1101754938.db2.gz DEBXZKCQSQWDTD-KRWDZBQOSA-N 0 0 331.416 2.866 10 5 EFBERN CCOc1cccnc1N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001654795178 1101757547 /nfs/dbraw/zinc/75/75/47/1101757547.db2.gz UVBMXIDHYXNVHI-UHFFFAOYSA-N 0 0 348.428 2.772 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccc(C)o2)OC)c1 ZINC001654851298 1101762394 /nfs/dbraw/zinc/76/23/94/1101762394.db2.gz GYWKQRIYAGHYQK-UHFFFAOYSA-N 0 0 334.328 2.846 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H](O)c1ccccc1F ZINC001654926927 1101771266 /nfs/dbraw/zinc/77/12/66/1101771266.db2.gz SBBZVGHCLDYMAN-MRXNPFEDSA-N 0 0 345.305 2.989 10 5 EFBERN CCOC(=O)CCCNc1cc(C)c(C(=O)OCC)cc1[N+](=O)[O-] ZINC001654945842 1101772082 /nfs/dbraw/zinc/77/20/82/1101772082.db2.gz DKFGMVUQIHGUFF-UHFFFAOYSA-N 0 0 338.360 2.835 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](C)Cn3cccn3)c2c1 ZINC001654980394 1101773235 /nfs/dbraw/zinc/77/32/35/1101773235.db2.gz OFOYJUFYXPPDEN-GFCCVEGCSA-N 0 0 341.371 2.518 10 5 EFBERN CCOCCOC1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC001654988407 1101775965 /nfs/dbraw/zinc/77/59/65/1101775965.db2.gz PWVGEXHJQVEXRK-UHFFFAOYSA-N 0 0 336.388 2.819 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1NCCNc1cnccn1 ZINC001655032938 1101779351 /nfs/dbraw/zinc/77/93/51/1101779351.db2.gz ACQLRPREFYBNKK-UHFFFAOYSA-N 0 0 338.165 2.671 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCSCCCO)cc1C ZINC001655107617 1101786462 /nfs/dbraw/zinc/78/64/62/1101786462.db2.gz ZRTWTGMPSMYQQV-UHFFFAOYSA-N 0 0 342.417 2.607 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@]12CCCOC2 ZINC001655141887 1101787842 /nfs/dbraw/zinc/78/78/42/1101787842.db2.gz NOOQNVHPYOYRJI-GOSISDBHSA-N 0 0 347.415 2.877 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1Nc1cnn(CC(F)F)c1 ZINC001655146010 1101789902 /nfs/dbraw/zinc/78/99/02/1101789902.db2.gz RKPSGRPGKQMJKH-UHFFFAOYSA-N 0 0 337.261 2.909 10 5 EFBERN Cc1cc(F)ccc1N1CCC[C@H](Nc2nn(C)cc2[N+](=O)[O-])C1 ZINC001655145973 1101790906 /nfs/dbraw/zinc/79/09/06/1101790906.db2.gz PRQJHXDVXXTXAU-ZDUSSCGKSA-N 0 0 333.367 2.857 10 5 EFBERN O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCc1ccon1 ZINC001655205484 1101793820 /nfs/dbraw/zinc/79/38/20/1101793820.db2.gz BOAWMIUAZMBDLY-UHFFFAOYSA-N 0 0 349.144 2.928 10 5 EFBERN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccns1 ZINC001655247026 1101800237 /nfs/dbraw/zinc/80/02/37/1101800237.db2.gz GZMQYEJJZVRTHU-VIFPVBQESA-N 0 0 331.357 2.952 10 5 EFBERN Cc1noc(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC001655323517 1101811503 /nfs/dbraw/zinc/81/15/03/1101811503.db2.gz ZXXZFSPHBAQUPF-LBPRGKRZSA-N 0 0 343.742 2.897 10 5 EFBERN CC(C)(C)OC(=O)[C@@](C)(O)CNc1ncc([N+](=O)[O-])c2ccccc12 ZINC001655348501 1101813692 /nfs/dbraw/zinc/81/36/92/1101813692.db2.gz IACLHHGLLSLMDT-KRWDZBQOSA-N 0 0 347.371 2.648 10 5 EFBERN CCN(CCNC(=O)c1ccncc1C)Cc1csc([N+](=O)[O-])c1 ZINC001266388244 1101816934 /nfs/dbraw/zinc/81/69/34/1101816934.db2.gz WLLUANBLXUOBMB-UHFFFAOYSA-N 0 0 348.428 2.612 10 5 EFBERN CNC(=O)CN(Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001655393512 1101817916 /nfs/dbraw/zinc/81/79/16/1101817916.db2.gz SQMKZLDBQKSAAE-UHFFFAOYSA-N 0 0 349.337 2.621 10 5 EFBERN CC(C)/C=C\C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000785034753 1101820727 /nfs/dbraw/zinc/82/07/27/1101820727.db2.gz SBHXNTODYRFECO-UTCJRWHESA-N 0 0 326.736 2.942 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])c1nc(Cl)nc2nc[nH]c21 ZINC001655460224 1101829596 /nfs/dbraw/zinc/82/95/96/1101829596.db2.gz DUJTXGNBWMTBHE-UHFFFAOYSA-N 0 0 332.751 2.593 10 5 EFBERN Cc1nc(NCCOc2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC001655478408 1101833858 /nfs/dbraw/zinc/83/38/58/1101833858.db2.gz ZBJQTEFHGFRUFW-UHFFFAOYSA-N 0 0 326.715 2.977 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2c(Cl)cccc2-n2ccnc2)nc1 ZINC001655507918 1101834637 /nfs/dbraw/zinc/83/46/37/1101834637.db2.gz ZVOLNYJUIUGWFG-UHFFFAOYSA-N 0 0 330.735 2.836 10 5 EFBERN CC(C)(C)c1nnc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])[nH]1 ZINC001655556359 1101847887 /nfs/dbraw/zinc/84/78/87/1101847887.db2.gz LLBGXXFLXJSGGT-UHFFFAOYSA-N 0 0 344.350 2.732 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC001655579219 1101850216 /nfs/dbraw/zinc/85/02/16/1101850216.db2.gz LDLSHLWEOLKJNM-RNEXMXFGSA-N 0 0 334.357 2.806 10 5 EFBERN COc1cc(NCCCNc2c(F)cc([N+](=O)[O-])cc2F)ncn1 ZINC001655596092 1101853340 /nfs/dbraw/zinc/85/33/40/1101853340.db2.gz SHLRCJLQLQQKSC-UHFFFAOYSA-N 0 0 339.302 2.586 10 5 EFBERN Cc1cc(NCc2nc(C(N)=O)co2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001655662471 1101867571 /nfs/dbraw/zinc/86/75/71/1101867571.db2.gz UZKXPZLRUBRERL-UHFFFAOYSA-N 0 0 344.249 2.621 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(Nc2cnn(CCF)c2)cc1C ZINC001655677888 1101871205 /nfs/dbraw/zinc/87/12/05/1101871205.db2.gz PCENGAQEPASHTC-UHFFFAOYSA-N 0 0 336.323 2.990 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCc1ccoc1 ZINC001655674995 1101871282 /nfs/dbraw/zinc/87/12/82/1101871282.db2.gz DXDPODMHMRCYOH-UHFFFAOYSA-N 0 0 346.311 2.839 10 5 EFBERN COc1cc(CN(C)CCCOc2ccc([N+](=O)[O-])cc2)sn1 ZINC001655698998 1101873611 /nfs/dbraw/zinc/87/36/11/1101873611.db2.gz QPBYZUXPYVPBMZ-UHFFFAOYSA-N 0 0 337.401 2.961 10 5 EFBERN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001266682537 1101877302 /nfs/dbraw/zinc/87/73/02/1101877302.db2.gz IVHKRQKVTCADLU-DGCLKSJQSA-N 0 0 329.360 2.579 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC001655724106 1101880081 /nfs/dbraw/zinc/88/00/81/1101880081.db2.gz KRHGINUSLXQMHY-XYPYZODXSA-N 0 0 337.380 2.633 10 5 EFBERN COc1cc(NC[C@@H](O)c2cncs2)c(Cl)cc1[N+](=O)[O-] ZINC001655847294 1101900018 /nfs/dbraw/zinc/90/00/18/1101900018.db2.gz ACFLSCRZIHNXSA-SNVBAGLBSA-N 0 0 329.765 2.859 10 5 EFBERN Cc1cc(Cl)ccc1NC(=O)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000071526391 1101900044 /nfs/dbraw/zinc/90/00/44/1101900044.db2.gz IZSBSYQAMBRWCV-UHFFFAOYSA-N 0 0 335.747 2.665 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3c(C)n[nH]c3C)c2c1 ZINC001655845780 1101900094 /nfs/dbraw/zinc/90/00/94/1101900094.db2.gz WYFDHZLCBQYEAZ-UHFFFAOYSA-N 0 0 327.344 2.526 10 5 EFBERN CC(C)Oc1nc(NC[C@@H](O)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001655856526 1101902131 /nfs/dbraw/zinc/90/21/31/1101902131.db2.gz OTBRKAJHICOCDK-AWEZNQCLSA-N 0 0 349.362 2.932 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC[C@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001655859012 1101902599 /nfs/dbraw/zinc/90/25/99/1101902599.db2.gz IOSCOUKCEILBBD-NSHDSACASA-N 0 0 329.316 2.677 10 5 EFBERN CS(C)(=O)=NCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001655869843 1101905064 /nfs/dbraw/zinc/90/50/64/1101905064.db2.gz AHPGUCSOHIDTOF-UHFFFAOYSA-N 0 0 325.312 2.753 10 5 EFBERN COc1cn(C)nc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001655889692 1101906189 /nfs/dbraw/zinc/90/61/89/1101906189.db2.gz IZPRNJXIKJMWDR-SNVBAGLBSA-N 0 0 335.364 2.692 10 5 EFBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001655892860 1101906881 /nfs/dbraw/zinc/90/68/81/1101906881.db2.gz NJNHCFSQZGJQLM-BYPYZUCNSA-N 0 0 347.282 2.614 10 5 EFBERN CCC[C@H](O)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001655911103 1101910109 /nfs/dbraw/zinc/91/01/09/1101910109.db2.gz FGTBZTYFQVLJQQ-HNNXBMFYSA-N 0 0 330.388 2.745 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](CC1CCCC1)C(=O)OC ZINC001655935122 1101912156 /nfs/dbraw/zinc/91/21/56/1101912156.db2.gz OOHZEYHLKSXHAD-CYBMUJFWSA-N 0 0 338.408 2.901 10 5 EFBERN CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC001655932490 1101912314 /nfs/dbraw/zinc/91/23/14/1101912314.db2.gz QCAWPSMMFMHUQX-KYZUINATSA-N 0 0 328.394 2.767 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2ccc(Br)cc2F)n1 ZINC001655932724 1101912850 /nfs/dbraw/zinc/91/28/50/1101912850.db2.gz ZTSKEMRAKNTVJB-UHFFFAOYSA-N 0 0 329.129 2.842 10 5 EFBERN 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EFBERN CCCc1n[nH]c(C(=O)N[C@@H](C)c2ccccc2OC)c1[N+](=O)[O-] ZINC000265651886 247676994 /nfs/dbraw/zinc/67/69/94/247676994.db2.gz UXYIOBSXOSFZDN-JTQLQIEISA-N 0 0 332.360 2.770 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCCSCC1 ZINC000265821644 247824467 /nfs/dbraw/zinc/82/44/67/247824467.db2.gz IKYPSORAQWREOR-UHFFFAOYSA-N 0 0 328.365 2.854 10 5 EFBERN Cc1csc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000430572983 247803348 /nfs/dbraw/zinc/80/33/48/247803348.db2.gz QGKDMCGUYPLOGN-LLVKDONJSA-N 0 0 335.385 2.924 10 5 EFBERN Cc1cc(OCC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000430801366 247838648 /nfs/dbraw/zinc/83/86/48/247838648.db2.gz ZIFAAYKVJBSREY-HUUCEWRRSA-N 0 0 348.399 2.557 10 5 EFBERN COc1cc2c(cc1F)ncnc2Oc1ccc([N+](=O)[O-])c(CO)c1 ZINC000433788168 248088272 /nfs/dbraw/zinc/08/82/72/248088272.db2.gz CEBUKMGHCVJFPC-UHFFFAOYSA-N 0 0 345.286 2.970 10 5 EFBERN Cc1cc(NC[C@H]2CCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266099260 248096590 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EFBERN COC(OC)[C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000298469681 284659957 /nfs/dbraw/zinc/65/99/57/284659957.db2.gz RBNDCPADOQCBFV-LLVKDONJSA-N 0 0 340.379 2.831 10 5 EFBERN CC1=C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000436005011 249451528 /nfs/dbraw/zinc/45/15/28/249451528.db2.gz FWRYNLZZJCAGNC-LLVKDONJSA-N 0 0 336.413 2.717 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000436066394 249457974 /nfs/dbraw/zinc/45/79/74/249457974.db2.gz ZGLKQQMNJPWJGR-OIRASMEMSA-N 0 0 346.408 2.752 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089802089 217847329 /nfs/dbraw/zinc/84/73/29/217847329.db2.gz RPSRENILVZAPQQ-SECBINFHSA-N 0 0 328.752 2.710 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([S@](C)=O)CCC1 ZINC000438124425 249745572 /nfs/dbraw/zinc/74/55/72/249745572.db2.gz SRCAGQZZMROXLG-QFIPXVFZSA-N 0 0 344.820 2.588 10 5 EFBERN CC[C@H](NC(=O)NCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000090073665 217914783 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CCc1nc(C(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000441794959 250053418 /nfs/dbraw/zinc/05/34/18/250053418.db2.gz LSTONLWAIOVFBL-UHFFFAOYSA-N 0 0 333.348 2.905 10 5 EFBERN CCCC(=O)N[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092708213 218160924 /nfs/dbraw/zinc/16/09/24/218160924.db2.gz NLBYNORJNLAKTM-RDTXFTJFSA-N 0 0 331.416 2.989 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000092765205 218166242 /nfs/dbraw/zinc/16/62/42/218166242.db2.gz AJILQMMPHPYYDZ-NVXWUHKLSA-N 0 0 340.379 2.908 10 5 EFBERN CCOc1ccc(C(=O)NC(C)(C)c2noc(CC)n2)cc1[N+](=O)[O-] ZINC000441726340 250050334 /nfs/dbraw/zinc/05/03/34/250050334.db2.gz MRTKKXLLXDVAMI-UHFFFAOYSA-N 0 0 348.359 2.604 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000442805455 250123228 /nfs/dbraw/zinc/12/32/28/250123228.db2.gz AKCZDKPSRFTDAQ-SECBINFHSA-N 0 0 340.286 2.800 10 5 EFBERN CCOc1ccc(C(=O)Nc2ccc(OC)cc2O)cc1[N+](=O)[O-] ZINC000442686122 250103353 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Cc1ccc2ncnc(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2c1 ZINC000443958384 250241789 /nfs/dbraw/zinc/24/17/89/250241789.db2.gz GKJKNTJCXPMYHK-UHFFFAOYSA-N 0 0 334.339 2.757 10 5 EFBERN Cc1cccc2c(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)ncnc12 ZINC000443960228 250242200 /nfs/dbraw/zinc/24/22/00/250242200.db2.gz JCWYNAGATUBZNS-UHFFFAOYSA-N 0 0 334.339 2.757 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000360577315 284760577 /nfs/dbraw/zinc/76/05/77/284760577.db2.gz ASCMAUNGQUENNE-AWEZNQCLSA-N 0 0 348.380 2.576 10 5 EFBERN Cc1ccnc(NCc2ncn(Cc3cccc(F)c3)n2)c1[N+](=O)[O-] ZINC000443999601 250247730 /nfs/dbraw/zinc/24/77/30/250247730.db2.gz YPQZETHVFYMHSH-UHFFFAOYSA-N 0 0 342.334 2.689 10 5 EFBERN CN(Cc1cc[nH]n1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444010074 250249050 /nfs/dbraw/zinc/24/90/50/250249050.db2.gz DXQRIRAFPYAMFR-UHFFFAOYSA-N 0 0 332.363 2.677 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H](CC)c2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000444133771 250262734 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Cc1cccc(C(=O)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000009300033 211062899 /nfs/dbraw/zinc/06/28/99/211062899.db2.gz CSHXVCHGUPNUTL-UHFFFAOYSA-N 0 0 341.367 2.970 10 5 EFBERN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1cnn(C)c1 ZINC000444995195 250372759 /nfs/dbraw/zinc/37/27/59/250372759.db2.gz XEGDZOHBNRRGHI-LBPRGKRZSA-N 0 0 346.390 2.906 10 5 EFBERN O=C(NCCc1ccc[nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445141776 250388743 /nfs/dbraw/zinc/38/87/43/250388743.db2.gz VSKDSINAWLSGMI-UHFFFAOYSA-N 0 0 331.375 2.982 10 5 EFBERN CC(C)(c1noc(Cn2cnc([N+](=O)[O-])n2)n1)c1ccccc1Cl ZINC000445682543 250418064 /nfs/dbraw/zinc/41/80/64/250418064.db2.gz OEBVHVWUHXPRTB-UHFFFAOYSA-N 0 0 348.750 2.597 10 5 EFBERN CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074152 218271865 /nfs/dbraw/zinc/27/18/65/218271865.db2.gz QPKMFOOBPZALQL-ZDUSSCGKSA-N 0 0 336.392 2.826 10 5 EFBERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ncccc1[N+](=O)[O-] ZINC000095075435 218272809 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CCCc1ncc(CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000454311154 252210720 /nfs/dbraw/zinc/21/07/20/252210720.db2.gz XDIPOXUTKOXFPV-UHFFFAOYSA-N 0 0 348.359 2.543 10 5 EFBERN CCCc1ncc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000454353507 252230143 /nfs/dbraw/zinc/23/01/43/252230143.db2.gz CNVWUVYJLLSABI-UHFFFAOYSA-N 0 0 332.360 2.577 10 5 EFBERN COC(=O)c1cc(N2CCOC3(CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268816343 252266861 /nfs/dbraw/zinc/26/68/61/252266861.db2.gz ILBXHNDNLDSYFC-UHFFFAOYSA-N 0 0 334.372 2.839 10 5 EFBERN O=C(N[C@H]1CCCOC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454529861 252296602 /nfs/dbraw/zinc/29/66/02/252296602.db2.gz RICCJSJSMDQWAJ-GJZGRUSLSA-N 0 0 333.388 2.663 10 5 EFBERN O=C(N[C@@H]1CCCOC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454529863 252296777 /nfs/dbraw/zinc/29/67/77/252296777.db2.gz RICCJSJSMDQWAJ-LSDHHAIUSA-N 0 0 333.388 2.663 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000454567141 252311316 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O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]([C@@H]3CCOC3)C2)s1 ZINC000342774535 285099088 /nfs/dbraw/zinc/09/90/88/285099088.db2.gz DKUWHEYSLIABDV-WDEREUQCSA-N 0 0 334.401 2.852 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]([C@@H]3CCOC3)C2)s1 ZINC000342774523 285099154 /nfs/dbraw/zinc/09/91/54/285099154.db2.gz DKUWHEYSLIABDV-GHMZBOCLSA-N 0 0 334.401 2.852 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](O)C(F)(F)F)nc1-c1ccc(F)cc1 ZINC000362348505 285109246 /nfs/dbraw/zinc/10/92/46/285109246.db2.gz JUFPYRGREMTGGB-NSHDSACASA-N 0 0 345.252 2.553 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@H](c2ccc(Cl)cc2)n2cccn2)nc1 ZINC000097137391 218968482 /nfs/dbraw/zinc/96/84/82/218968482.db2.gz SKFFRFBVWVNELW-CQSZACIVSA-N 0 0 344.762 2.936 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCc3c(ncn3-c3ccc(F)cc3)C2)cn1 ZINC000358292605 285131393 /nfs/dbraw/zinc/13/13/93/285131393.db2.gz VJCZYMDNAGGGRG-UHFFFAOYSA-N 0 0 339.330 2.877 10 5 EFBERN O=c1[nH]c(N2CCc3ccc(F)cc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000342774062 285151001 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OUVYJLWDIYNMBP-UHFFFAOYSA-N 0 0 341.433 2.837 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000336979353 143753997 /nfs/dbraw/zinc/75/39/97/143753997.db2.gz DEGHALYPPAFNRN-LBPRGKRZSA-N 0 0 334.344 2.544 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(c3nccc4sccc43)CC2)nc1 ZINC000337668011 143779121 /nfs/dbraw/zinc/77/91/21/143779121.db2.gz XRMSMSXHECYCGG-UHFFFAOYSA-N 0 0 341.396 2.926 10 5 EFBERN O=[N+]([O-])c1cccc(SCCc2nnnn2-c2ccccc2)c1 ZINC000337904376 143836210 /nfs/dbraw/zinc/83/62/10/143836210.db2.gz AEXDDJNSVQVARU-UHFFFAOYSA-N 0 0 327.369 2.905 10 5 EFBERN COc1ccc(C(=O)Nc2cnc(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000339203628 144712020 /nfs/dbraw/zinc/71/20/20/144712020.db2.gz JOGASZQREIKGDW-UHFFFAOYSA-N 0 0 328.328 2.832 10 5 EFBERN Cc1cccc(C(=O)NCCc2cnc(C3CC3)nc2)c1[N+](=O)[O-] ZINC000339469277 144776762 /nfs/dbraw/zinc/77/67/62/144776762.db2.gz RKPMDJQLYDVVAC-UHFFFAOYSA-N 0 0 326.356 2.543 10 5 EFBERN Cc1cnn(CCSCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000340621438 144904528 /nfs/dbraw/zinc/90/45/28/144904528.db2.gz LQIDZFILQRHRFG-UHFFFAOYSA-N 0 0 335.385 2.900 10 5 EFBERN CCOc1ccc(C(=O)NCCCc2nccs2)cc1[N+](=O)[O-] ZINC000340664135 144913060 /nfs/dbraw/zinc/91/30/60/144913060.db2.gz ZYCGQFYINQHCFA-UHFFFAOYSA-N 0 0 335.385 2.813 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3nccn3-c3ccccc3)nc2c1 ZINC000340861330 144943887 /nfs/dbraw/zinc/94/38/87/144943887.db2.gz DHHHIFCIOLXEBQ-UHFFFAOYSA-N 0 0 334.339 2.691 10 5 EFBERN O=[N+]([O-])c1cnccc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC000340914239 144952578 /nfs/dbraw/zinc/95/25/78/144952578.db2.gz WGYRJULOGXJMIM-UHFFFAOYSA-N 0 0 327.384 2.811 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc2n[nH]cc2c1 ZINC000340957331 144961503 /nfs/dbraw/zinc/96/15/03/144961503.db2.gz SZSAGAGDRUSPQL-UHFFFAOYSA-N 0 0 332.266 2.931 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3nccc(C(F)F)n3)cc2N1 ZINC000340981290 144965969 /nfs/dbraw/zinc/96/59/69/144965969.db2.gz ALOLPFGLNDWFKO-UHFFFAOYSA-N 0 0 349.297 2.819 10 5 EFBERN O=C(N[C@H]1CCCSC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000341008486 144972540 /nfs/dbraw/zinc/97/25/40/144972540.db2.gz ALBHFVQDVKSIGK-VIFPVBQESA-N 0 0 332.328 2.822 10 5 EFBERN COC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000341264599 145022936 /nfs/dbraw/zinc/02/29/36/145022936.db2.gz REIUODQKHBCGTC-SECBINFHSA-N 0 0 334.353 2.934 10 5 EFBERN C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1[N+](=O)[O-] ZINC000341274429 145024212 /nfs/dbraw/zinc/02/42/12/145024212.db2.gz BTBVDXULWGBXON-BZNIZROVSA-N 0 0 328.324 2.612 10 5 EFBERN CSc1ccc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000341282488 145026082 /nfs/dbraw/zinc/02/60/82/145026082.db2.gz WSEPLMJYQCJBLD-SNVBAGLBSA-N 0 0 329.385 2.954 10 5 EFBERN C[C@@H]1c2ccccc2CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000341310644 145030596 /nfs/dbraw/zinc/03/05/96/145030596.db2.gz UGGZXPFFAURUNV-GFCCVEGCSA-N 0 0 349.350 2.893 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCOC[C@@H]1CC1CCC1 ZINC000341351096 145037797 /nfs/dbraw/zinc/03/77/97/145037797.db2.gz JJPYAFKFXQRBPI-HNNXBMFYSA-N 0 0 347.415 2.814 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc3c(c2)OCO3)n1 ZINC000341373050 145041248 /nfs/dbraw/zinc/04/12/48/145041248.db2.gz XCTMESBGNGNXDL-SECBINFHSA-N 0 0 345.311 2.678 10 5 EFBERN Cc1cnc(N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341370504 145041348 /nfs/dbraw/zinc/04/13/48/145041348.db2.gz HBBBRCOMDJABSG-HIFRSBDPSA-N 0 0 340.383 2.900 10 5 EFBERN C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000342392067 145115643 /nfs/dbraw/zinc/11/56/43/145115643.db2.gz IFLLAXUEQBOHDR-LBPRGKRZSA-N 0 0 346.362 2.581 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2coc3ccccc23)c1[N+](=O)[O-] ZINC000342412448 145120014 /nfs/dbraw/zinc/12/00/14/145120014.db2.gz XWDWLHGCAVCMNZ-UHFFFAOYSA-N 0 0 341.323 2.865 10 5 EFBERN Cc1c(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)cccc1[N+](=O)[O-] ZINC000342435143 145125632 /nfs/dbraw/zinc/12/56/32/145125632.db2.gz VHPNUKPNZWPDFB-UHFFFAOYSA-N 0 0 347.396 2.696 10 5 EFBERN CO[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000342451026 145128599 /nfs/dbraw/zinc/12/85/99/145128599.db2.gz CKZQRHLHEJBDKQ-QWHCGFSZSA-N 0 0 331.372 2.826 10 5 EFBERN Cc1sc(S(=O)(=O)N[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000342511943 145140883 /nfs/dbraw/zinc/14/08/83/145140883.db2.gz JXYHLCGAGFEUOU-ILDUYXDCSA-N 0 0 330.431 2.822 10 5 EFBERN CN(Cc1nccs1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342517145 145141816 /nfs/dbraw/zinc/14/18/16/145141816.db2.gz MZZLVVHOAZMLOK-UHFFFAOYSA-N 0 0 327.312 2.531 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1COc2ccc(F)cc2C1 ZINC000342541066 145145017 /nfs/dbraw/zinc/14/50/17/145145017.db2.gz FIAQWJNZPZNOHM-LLVKDONJSA-N 0 0 349.293 2.998 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2ccc(F)cc2C1 ZINC000342550908 145147846 /nfs/dbraw/zinc/14/78/46/145147846.db2.gz VZKDBRKSVSHSKJ-CYBMUJFWSA-N 0 0 331.303 2.859 10 5 EFBERN COc1ccc(OCC[NH+]2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000342605871 145157766 /nfs/dbraw/zinc/15/77/66/145157766.db2.gz OJKLKIOAYZYEJA-UHFFFAOYSA-N 0 0 346.387 2.585 10 5 EFBERN Cc1cc(=NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1[C@@H](C)C1CC1 ZINC000342662669 145168352 /nfs/dbraw/zinc/16/83/52/145168352.db2.gz YUDRVOKXVHZYHG-JTQLQIEISA-N 0 0 332.335 2.884 10 5 EFBERN O=C(NCCNc1ncc(Cl)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000342787813 145193042 /nfs/dbraw/zinc/19/30/42/145193042.db2.gz MQZOBTOHDUBOSZ-UHFFFAOYSA-N 0 0 341.799 2.687 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000342816268 145199492 /nfs/dbraw/zinc/19/94/92/145199492.db2.gz UWFXOAUZWQXYCG-HNNXBMFYSA-N 0 0 327.340 2.811 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000342829872 145203536 /nfs/dbraw/zinc/20/35/36/145203536.db2.gz LVXVHGNVTPMYJF-ABIUDSBCSA-N 0 0 345.399 2.791 10 5 EFBERN COc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1CO ZINC000342894441 145217478 /nfs/dbraw/zinc/21/74/78/145217478.db2.gz NVGRPRSUSJRIEY-UHFFFAOYSA-N 0 0 346.339 2.503 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342904131 145218846 /nfs/dbraw/zinc/21/88/46/145218846.db2.gz OQXYGZSRVAXGEP-SNVBAGLBSA-N 0 0 333.344 2.538 10 5 EFBERN CC(C)Cn1ccnc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342935933 145224085 /nfs/dbraw/zinc/22/40/85/145224085.db2.gz UQDGOVNDNZTTBD-UHFFFAOYSA-N 0 0 341.371 2.859 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000342936028 145224501 /nfs/dbraw/zinc/22/45/01/145224501.db2.gz VHXFPPAIFSNZRF-GFCCVEGCSA-N 0 0 329.312 2.629 10 5 EFBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000342956275 145228780 /nfs/dbraw/zinc/22/87/80/145228780.db2.gz VWGITWYAPACWFZ-OAHLLOKOSA-N 0 0 327.340 2.779 10 5 EFBERN CN(C[C@H]1CC=CCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000343594280 145247679 /nfs/dbraw/zinc/24/76/79/145247679.db2.gz AKZVRQJYYNVNMA-ZDUSSCGKSA-N 0 0 341.371 2.604 10 5 EFBERN CN(C[C@@H]1CC=CCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000343594278 145247777 /nfs/dbraw/zinc/24/77/77/145247777.db2.gz AKZVRQJYYNVNMA-CYBMUJFWSA-N 0 0 341.371 2.604 10 5 EFBERN C[C@@H]1c2ccccc2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343601585 145249624 /nfs/dbraw/zinc/24/96/24/145249624.db2.gz HCIBNLAPGAOEIH-HIFRSBDPSA-N 0 0 328.368 2.911 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(Cl)cn1 ZINC000343645666 145260355 /nfs/dbraw/zinc/26/03/55/145260355.db2.gz BWNTTWAAJUPROE-UHFFFAOYSA-N 0 0 341.701 2.780 10 5 EFBERN C[C@H]1CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000343756540 145287012 /nfs/dbraw/zinc/28/70/12/145287012.db2.gz FESYPOBQKSMNDO-AAEUAGOBSA-N 0 0 339.417 2.590 10 5 EFBERN CO[C@@H](C)CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000343760168 145288265 /nfs/dbraw/zinc/28/82/65/145288265.db2.gz YIRHYSDTYLXCKK-ZDUSSCGKSA-N 0 0 346.387 2.666 10 5 EFBERN CN(C[C@H]1CC=CCC1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343792814 145295975 /nfs/dbraw/zinc/29/59/75/145295975.db2.gz KABGYOJYODXMKC-AWEZNQCLSA-N 0 0 345.399 2.529 10 5 EFBERN CCOC(=O)c1cc(NCc2cccnc2N(C)C)ccc1[N+](=O)[O-] ZINC000343833880 145305167 /nfs/dbraw/zinc/30/51/67/145305167.db2.gz GIEQTRJGEXRFKN-UHFFFAOYSA-N 0 0 344.371 2.845 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000343869799 145313161 /nfs/dbraw/zinc/31/31/61/145313161.db2.gz BYOIIYQHPIDTJF-CQSZACIVSA-N 0 0 325.368 2.958 10 5 EFBERN COc1ccc(S(=O)(=O)N(C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000343906126 145321171 /nfs/dbraw/zinc/32/11/71/145321171.db2.gz LIGAJOPJMFEPMW-LBPRGKRZSA-N 0 0 340.401 2.580 10 5 EFBERN CCOc1ccc(C(=O)NCC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000343905749 145321284 /nfs/dbraw/zinc/32/12/84/145321284.db2.gz KOOHTCABWSZZNY-STQMWFEESA-N 0 0 336.388 2.929 10 5 EFBERN C[C@@H]1CC[C@@H]1NC(=O)c1cc(C(=O)N[C@H]2CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343946769 145331126 /nfs/dbraw/zinc/33/11/26/145331126.db2.gz GASRKLRDVQZFMA-XYPYXGAPSA-N 0 0 345.399 2.651 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000344072539 145361591 /nfs/dbraw/zinc/36/15/91/145361591.db2.gz LBJHPXRYFYYJPS-UHFFFAOYSA-N 0 0 326.352 2.901 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000344077809 145362527 /nfs/dbraw/zinc/36/25/27/145362527.db2.gz QPXXHKSGDCIVCP-UHFFFAOYSA-N 0 0 326.352 2.901 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)no2)cc1[N+](=O)[O-] ZINC000344100275 145368157 /nfs/dbraw/zinc/36/81/57/145368157.db2.gz USRRERRZSZNLLC-GFCCVEGCSA-N 0 0 346.343 2.662 10 5 EFBERN CN(C(=O)c1cnc(-c2ccncc2)s1)c1ccc([N+](=O)[O-])nc1 ZINC000344194654 145389412 /nfs/dbraw/zinc/38/94/12/145389412.db2.gz BOFZGNFREKBWNB-UHFFFAOYSA-N 0 0 341.352 2.785 10 5 EFBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCOC1 ZINC000344331200 145423188 /nfs/dbraw/zinc/42/31/88/145423188.db2.gz UIKFPDPALYXUPE-JTQLQIEISA-N 0 0 344.820 2.883 10 5 EFBERN COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])nc1)Cc1cccc(C)c1 ZINC000344421059 145444264 /nfs/dbraw/zinc/44/42/64/145444264.db2.gz ALSXGIXHEVYLQD-CQSZACIVSA-N 0 0 329.356 2.742 10 5 EFBERN 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O=C(NCc1cccc(-c2cccnc2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000363826095 149016172 /nfs/dbraw/zinc/01/61/72/149016172.db2.gz SKJYPYUXMXBQGN-UHFFFAOYSA-N 0 0 349.350 2.795 10 5 EFBERN Cc1cc(C(=O)N[C@H](c2nc[nH]n2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000363860817 149022678 /nfs/dbraw/zinc/02/26/78/149022678.db2.gz HKTXDMLDLWYEKF-HNNXBMFYSA-N 0 0 337.339 2.541 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000364302671 149120069 /nfs/dbraw/zinc/12/00/69/149120069.db2.gz LTBPOPRBYYSRME-UONOGXRCSA-N 0 0 333.388 2.577 10 5 EFBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@@H](C3CC3)C2)c1 ZINC000364512529 149171946 /nfs/dbraw/zinc/17/19/46/149171946.db2.gz CIVWZVOHNICGKZ-CQSZACIVSA-N 0 0 328.315 2.807 10 5 EFBERN Nc1c(C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000364652175 149208663 /nfs/dbraw/zinc/20/86/63/149208663.db2.gz YAKZBQKOAAMUQZ-ZDUSSCGKSA-N 0 0 345.330 2.610 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(CO)Cc2ccccc2C1 ZINC000364731629 149230049 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Cc1ccc([C@@H](C)NC(=O)N2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000369290689 150322198 /nfs/dbraw/zinc/32/21/98/150322198.db2.gz QAGCMNOFXFHVRY-CYBMUJFWSA-N 0 0 333.388 2.929 10 5 EFBERN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000369452760 150358948 /nfs/dbraw/zinc/35/89/48/150358948.db2.gz QOLOZSYTAYNJBW-LBPRGKRZSA-N 0 0 334.401 2.984 10 5 EFBERN Cc1ccc2ncnc(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2c1 ZINC000369663723 150419615 /nfs/dbraw/zinc/41/96/15/150419615.db2.gz MPHQYGHFDIPGMB-UHFFFAOYSA-N 0 0 338.371 2.884 10 5 EFBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000369789835 150448619 /nfs/dbraw/zinc/44/86/19/150448619.db2.gz YOTRKZZTLOEBEI-QGZVFWFLSA-N 0 0 344.346 2.515 10 5 EFBERN COc1cc(C(=O)N2CCCC[C@H]2c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000370941145 150697439 /nfs/dbraw/zinc/69/74/39/150697439.db2.gz GBMRORVOZNOUTA-ZDUSSCGKSA-N 0 0 346.343 2.662 10 5 EFBERN Cc1c(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)cccc1[N+](=O)[O-] ZINC000370953522 150700239 /nfs/dbraw/zinc/70/02/39/150700239.db2.gz DQPMQZQOETWLIF-CQSZACIVSA-N 0 0 342.399 2.968 10 5 EFBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]2c2ncon2)c1 ZINC000371371505 150791833 /nfs/dbraw/zinc/79/18/33/150791833.db2.gz CBYFRWJGUYEIMZ-LLVKDONJSA-N 0 0 340.286 2.916 10 5 EFBERN COc1cc(N2CCO[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1F ZINC000124248290 286229901 /nfs/dbraw/zinc/22/99/01/286229901.db2.gz YKMGUHBQGCITFA-ZDUSSCGKSA-N 0 0 339.348 2.777 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 ZINC000372942730 151084301 /nfs/dbraw/zinc/08/43/01/151084301.db2.gz DFEHSFRPASGPEH-OAHLLOKOSA-N 0 0 343.387 2.883 10 5 EFBERN CCOc1ccc(NC(=O)CN2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000373096042 151112552 /nfs/dbraw/zinc/11/25/52/151112552.db2.gz BPUGVDAZRUWEFB-UHFFFAOYSA-N 0 0 333.388 2.951 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCC12CCC2 ZINC000373188220 151130047 /nfs/dbraw/zinc/13/00/47/151130047.db2.gz RZGOWALMCKVROX-UHFFFAOYSA-N 0 0 331.372 2.695 10 5 EFBERN COc1cc(OCc2cc(-c3cnn(C)c3)no2)ccc1[N+](=O)[O-] ZINC000373560767 151190142 /nfs/dbraw/zinc/19/01/42/151190142.db2.gz MSBCYAVQROODDG-UHFFFAOYSA-N 0 0 330.300 2.571 10 5 EFBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000373866992 151239944 /nfs/dbraw/zinc/23/99/44/151239944.db2.gz DEEUAFRUOVFEAE-QGZVFWFLSA-N 0 0 346.362 2.587 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373880513 151242609 /nfs/dbraw/zinc/24/26/09/151242609.db2.gz YDWXSPVBPHYPTQ-UMSPYCQHSA-N 0 0 346.774 2.901 10 5 EFBERN C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000373955953 151256315 /nfs/dbraw/zinc/25/63/15/151256315.db2.gz DAOJPFPYZXVSNH-TZMCWYRMSA-N 0 0 326.356 2.591 10 5 EFBERN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000373952520 151256335 /nfs/dbraw/zinc/25/63/35/151256335.db2.gz CANRFNHVOLTMIE-WFASDCNBSA-N 0 0 326.356 2.591 10 5 EFBERN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000373952517 151256365 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0 0 341.314 2.617 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000374322047 151322564 /nfs/dbraw/zinc/32/25/64/151322564.db2.gz CQADFCHNPWGFEA-KRWDZBQOSA-N 0 0 346.362 2.656 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000374473995 151353991 /nfs/dbraw/zinc/35/39/91/151353991.db2.gz BOKWDBXJCSYHMZ-KRWDZBQOSA-N 0 0 346.362 2.900 10 5 EFBERN COc1ccc(-c2nc(CCNc3ncc([N+](=O)[O-])s3)co2)cc1 ZINC000374495316 151357174 /nfs/dbraw/zinc/35/71/74/151357174.db2.gz IMIVBOARZBGHSQ-UHFFFAOYSA-N 0 0 346.368 2.791 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374542072 151366136 /nfs/dbraw/zinc/36/61/36/151366136.db2.gz CYXDPFCRAZBVEH-GOSISDBHSA-N 0 0 327.384 2.829 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000374542073 151366768 /nfs/dbraw/zinc/36/67/68/151366768.db2.gz CYXDPFCRAZBVEH-SFHVURJKSA-N 0 0 327.384 2.829 10 5 EFBERN COc1cc2c(cc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-])OCO2 ZINC000352771953 286252515 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O=C(N[C@H]1CCCC[C@@H]1O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281145665 273404954 /nfs/dbraw/zinc/40/49/54/273404954.db2.gz HANAUBGPKQUGJZ-GJZGRUSLSA-N 0 0 341.367 2.690 10 5 EFBERN CCC(=O)c1ccc(N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c([N+](=O)[O-])c1 ZINC000281367646 273428030 /nfs/dbraw/zinc/42/80/30/273428030.db2.gz DJUVLZHWCBCPDF-AHIWAGSCSA-N 0 0 346.383 2.965 10 5 EFBERN CCOC(=O)CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC000281827150 273473339 /nfs/dbraw/zinc/47/33/39/273473339.db2.gz MBPSQBLPMFDLSF-UHFFFAOYSA-N 0 0 344.314 2.677 10 5 EFBERN Cn1nccc1[C@@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000281935623 273489962 /nfs/dbraw/zinc/48/99/62/273489962.db2.gz RJDGYMASEQCZAH-NSHDSACASA-N 0 0 332.389 2.769 10 5 EFBERN Cc1cn(CC(=O)Nc2ccc(N3CCCCC3)cc2)nc1[N+](=O)[O-] ZINC000282156273 273521600 /nfs/dbraw/zinc/52/16/00/273521600.db2.gz CLTOSRVZBRJZAF-UHFFFAOYSA-N 0 0 343.387 2.729 10 5 EFBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@](C)(CC)C1 ZINC000282777700 273615895 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COC(=O)c1cc(N2CC[C@@H](n3cc(C)cn3)C2)cc(C)c1[N+](=O)[O-] ZINC000290683256 294155865 /nfs/dbraw/zinc/15/58/65/294155865.db2.gz IYQCYGJLDBAQOW-CYBMUJFWSA-N 0 0 344.371 2.646 10 5 EFBERN CCOCc1nc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)no1 ZINC000290806146 294190715 /nfs/dbraw/zinc/19/07/15/294190715.db2.gz ZCJFSLWRILRXSF-SSDOTTSWSA-N 0 0 328.275 2.966 10 5 EFBERN CC(C)(CCc1noc(-c2nc(Br)cs2)n1)[N+](=O)[O-] ZINC000291150309 294291287 /nfs/dbraw/zinc/29/12/87/294291287.db2.gz ZHRANSSLKJYFNB-UHFFFAOYSA-N 0 0 347.194 2.944 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000291254517 294326288 /nfs/dbraw/zinc/32/62/88/294326288.db2.gz WGJCTVTXOMNMOY-LBPRGKRZSA-N 0 0 331.294 2.868 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCC(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000291259979 294327960 /nfs/dbraw/zinc/32/79/60/294327960.db2.gz YYSUAGSDEGVODA-QMMMGPOBSA-N 0 0 329.303 2.566 10 5 EFBERN COCCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000291265651 294330438 /nfs/dbraw/zinc/33/04/38/294330438.db2.gz PVCOHXLCRPVNCX-UHFFFAOYSA-N 0 0 329.356 2.642 10 5 EFBERN Cc1cnn([C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)c1 ZINC000291419820 294376654 /nfs/dbraw/zinc/37/66/54/294376654.db2.gz ZKRLAUZKUQLQQK-ZDUSSCGKSA-N 0 0 339.355 2.668 10 5 EFBERN CCOC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291566133 294416957 /nfs/dbraw/zinc/41/69/57/294416957.db2.gz VXIFBLPJIWVQBR-UHFFFAOYSA-N 0 0 349.170 2.973 10 5 EFBERN CC(C)N(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000291569321 294417420 /nfs/dbraw/zinc/41/74/20/294417420.db2.gz JNIHOVZRNVMOAZ-CYBMUJFWSA-N 0 0 328.315 2.713 10 5 EFBERN CCCNC(=O)[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291582232 294421178 /nfs/dbraw/zinc/42/11/78/294421178.db2.gz GHJNQVQFLQMWFS-ZDUSSCGKSA-N 0 0 342.399 2.886 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](n2cccn2)C1 ZINC000291615063 294431363 /nfs/dbraw/zinc/43/13/63/294431363.db2.gz HRIWKNNBHWFFOI-LBPRGKRZSA-N 0 0 334.763 2.840 10 5 EFBERN O=C(NC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1)C1CC1 ZINC000291727662 294465632 /nfs/dbraw/zinc/46/56/32/294465632.db2.gz XJIPECDGLFXFQX-UHFFFAOYSA-N 0 0 340.383 2.638 10 5 EFBERN C[C@@H]1OCC[C@@]12CN(c1c3ccccc3ncc1[N+](=O)[O-])CCO2 ZINC000291785262 294483406 /nfs/dbraw/zinc/48/34/06/294483406.db2.gz CUSQJUPJKSYIKR-YVEFUNNKSA-N 0 0 329.356 2.527 10 5 EFBERN C[C@@H]1OCC[C@]12CN(c1c3ccccc3ncc1[N+](=O)[O-])CCO2 ZINC000291785258 294483508 /nfs/dbraw/zinc/48/35/08/294483508.db2.gz CUSQJUPJKSYIKR-SJCJKPOMSA-N 0 0 329.356 2.527 10 5 EFBERN CO[C@H](C)[C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000291831271 294497242 /nfs/dbraw/zinc/49/72/42/294497242.db2.gz GFDVHMFPIMOXKV-VXGBXAGGSA-N 0 0 329.356 2.810 10 5 EFBERN C[C@@]12CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]1C2(F)F ZINC000291984150 294542337 /nfs/dbraw/zinc/54/23/37/294542337.db2.gz PZYCRHNKWHHKLS-SMDDNHRTSA-N 0 0 336.298 2.725 10 5 EFBERN CO[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000292596658 294731915 /nfs/dbraw/zinc/73/19/15/294731915.db2.gz QFIJHOSFRBCXEO-HTQZYQBOSA-N 0 0 331.166 2.511 10 5 EFBERN Cc1cc(N2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000292633022 294743157 /nfs/dbraw/zinc/74/31/57/294743157.db2.gz ABVFHDSNUAXIQH-AWEZNQCLSA-N 0 0 346.305 2.918 10 5 EFBERN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC000293020489 294855509 /nfs/dbraw/zinc/85/55/09/294855509.db2.gz PPSOASVIYIBEAK-UHFFFAOYSA-N 0 0 345.403 2.879 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](n2cccn2)C1 ZINC000293194691 294904742 /nfs/dbraw/zinc/90/47/42/294904742.db2.gz ICRQSXCHTYZWBL-BYIUCRAPSA-N 0 0 326.356 2.668 10 5 EFBERN COc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408303152 295017064 /nfs/dbraw/zinc/01/70/64/295017064.db2.gz MLKROLSMVPIXCZ-UTUOFQBUSA-N 0 0 342.417 2.659 10 5 EFBERN Cc1nnsc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000293750572 295041444 /nfs/dbraw/zinc/04/14/44/295041444.db2.gz SKKCVMKDMICJQC-UHFFFAOYSA-N 0 0 326.765 2.647 10 5 EFBERN Cc1sc(C(=O)N(C)C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000293776463 295046976 /nfs/dbraw/zinc/04/69/76/295046976.db2.gz WFWADOWNOBXHIF-CYBMUJFWSA-N 0 0 334.397 2.640 10 5 EFBERN CN(CC(=O)Nc1cccc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000293809325 295054339 /nfs/dbraw/zinc/05/43/39/295054339.db2.gz DLDSOAIKFCTRIR-UHFFFAOYSA-N 0 0 326.356 2.942 10 5 EFBERN COc1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000366987355 295082858 /nfs/dbraw/zinc/08/28/58/295082858.db2.gz FFZDGCKAUUSNGI-CQSZACIVSA-N 0 0 344.371 2.704 10 5 EFBERN CC[C@@H]1CCN1C(=O)c1cc(C(=O)N2CC[C@@H]2CC)cc([N+](=O)[O-])c1 ZINC000294029645 295100639 /nfs/dbraw/zinc/10/06/39/295100639.db2.gz NXYPYBXALYSJGN-GASCZTMLSA-N 0 0 345.399 2.844 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCC[C@H]1C ZINC000294032868 295101099 /nfs/dbraw/zinc/10/10/99/295101099.db2.gz FVCFCUUUFAZBBJ-MEBBXXQBSA-N 0 0 326.780 2.838 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000294219897 295130486 /nfs/dbraw/zinc/13/04/86/295130486.db2.gz ORXDZUQKFDDDPJ-MRXNPFEDSA-N 0 0 330.384 2.934 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCO[C@@]3(CCOC3)C2)c1 ZINC000294450928 295169175 /nfs/dbraw/zinc/16/91/75/295169175.db2.gz FUIBBOVNSIBOCG-AWEZNQCLSA-N 0 0 346.305 2.605 10 5 EFBERN Cc1sc(C(=O)NC[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000294485623 295174538 /nfs/dbraw/zinc/17/45/38/295174538.db2.gz JBZUZCJRJROLFO-GFCCVEGCSA-N 0 0 326.418 2.883 10 5 EFBERN CN(Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000294600708 295192257 /nfs/dbraw/zinc/19/22/57/295192257.db2.gz UIDROYMLSPTHSB-UHFFFAOYSA-N 0 0 334.397 2.630 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)n1 ZINC000294679935 295206494 /nfs/dbraw/zinc/20/64/94/295206494.db2.gz VXYLZIAAKLFGMK-MGCOHNPYSA-N 0 0 334.763 2.658 10 5 EFBERN CCc1nnc(CNc2cc(C)c([N+](=O)[O-])cc2Br)[nH]1 ZINC000294857105 295237304 /nfs/dbraw/zinc/23/73/04/295237304.db2.gz CTNUEJODUPCZII-UHFFFAOYSA-N 0 0 340.181 2.958 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294879947 295240487 /nfs/dbraw/zinc/24/04/87/295240487.db2.gz OVXJIMIACNJPOJ-WMZOPIPTSA-N 0 0 341.367 2.860 10 5 EFBERN CCc1cc(N2CCC[C@H](O)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294984510 295254264 /nfs/dbraw/zinc/25/42/64/295254264.db2.gz MKRHYDHYSQIKGB-LRDDRELGSA-N 0 0 342.399 2.964 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000338715349 295254357 /nfs/dbraw/zinc/25/43/57/295254357.db2.gz GGMLVNKQFICSQM-GDZNZVCISA-N 0 0 336.388 2.766 10 5 EFBERN COC(=O)c1cc(C)nc(NCCc2scnc2C)c1[N+](=O)[O-] ZINC000294993831 295255164 /nfs/dbraw/zinc/25/51/64/295255164.db2.gz NKKGWZKASYVBGW-UHFFFAOYSA-N 0 0 336.373 2.504 10 5 EFBERN CCOC(=O)C1CCC(Sc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000295014958 295257816 /nfs/dbraw/zinc/25/78/16/295257816.db2.gz PTKBNELONLZEFN-UHFFFAOYSA-N 0 0 327.406 2.851 10 5 EFBERN COC(=O)C=Cc1ccc(NCc2nnc(C(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC000295044237 295261127 /nfs/dbraw/zinc/26/11/27/295261127.db2.gz WYPGBGRWJNHUAE-FNORWQNLSA-N 0 0 345.359 2.635 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000295187572 295279639 /nfs/dbraw/zinc/27/96/39/295279639.db2.gz SQQXEOILKBQKFP-SNVBAGLBSA-N 0 0 331.294 2.710 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C(F)(F)F ZINC000295195522 295280854 /nfs/dbraw/zinc/28/08/54/295280854.db2.gz LZLMPVMLAVBNKH-UHFFFAOYSA-N 0 0 326.296 2.522 10 5 EFBERN COc1cccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000341994965 295284111 /nfs/dbraw/zinc/28/41/11/295284111.db2.gz MWSBPDTWRLZBTN-CQSZACIVSA-N 0 0 344.371 2.704 10 5 EFBERN NS(=O)(=O)c1cccc(NCC2(C3CCC3)CCC2)c1[N+](=O)[O-] ZINC000413329027 295289708 /nfs/dbraw/zinc/28/97/08/295289708.db2.gz CBJKGNRJYSPNBA-UHFFFAOYSA-N 0 0 339.417 2.625 10 5 EFBERN COc1cccc(CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000361854788 295294152 /nfs/dbraw/zinc/29/41/52/295294152.db2.gz BMBBTTCWJDUVBD-UHFFFAOYSA-N 0 0 344.371 2.979 10 5 EFBERN CC[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000295539250 295337683 /nfs/dbraw/zinc/33/76/83/295337683.db2.gz SFCGSOTUAWXRQF-AAEUAGOBSA-N 0 0 330.331 2.853 10 5 EFBERN CC[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000295539254 295337706 /nfs/dbraw/zinc/33/77/06/295337706.db2.gz SFCGSOTUAWXRQF-WCQYABFASA-N 0 0 330.331 2.853 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CCC[C@@](C)(F)C2)cc([N+](=O)[O-])c1 ZINC000295554092 295340023 /nfs/dbraw/zinc/34/00/23/295340023.db2.gz KSFPCCNQSJVXGC-MRXNPFEDSA-N 0 0 338.335 2.736 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC(O)CC3)CC2)c1 ZINC000295559429 295340875 /nfs/dbraw/zinc/34/08/75/295340875.db2.gz MOVKZKARRYDAFU-UHFFFAOYSA-N 0 0 348.399 2.761 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2cn(C)nc2C2CCCCC2)c1[N+](=O)[O-] ZINC000295564425 295341751 /nfs/dbraw/zinc/34/17/51/295341751.db2.gz AJEIZGUCLNSCRY-UHFFFAOYSA-N 0 0 346.391 2.914 10 5 EFBERN CC(C)(CCC(=O)NCCc1cccc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000295574686 295343273 /nfs/dbraw/zinc/34/32/73/295343273.db2.gz LAMLCLYHZXANIK-UHFFFAOYSA-N 0 0 333.310 2.595 10 5 EFBERN CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H](O)C(F)F ZINC000295616291 295350125 /nfs/dbraw/zinc/35/01/25/295350125.db2.gz ZFYXABFWAMLORK-JOYOIKCWSA-N 0 0 344.339 2.944 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295629712 295351681 /nfs/dbraw/zinc/35/16/81/295351681.db2.gz KKKXXYWELOOJJM-CYBMUJFWSA-N 0 0 347.415 2.657 10 5 EFBERN CN(C)c1cc(F)c(C(=O)N2CCC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295653380 295355136 /nfs/dbraw/zinc/35/51/36/295355136.db2.gz VBFPCRGEGCTAFX-OAHLLOKOSA-N 0 0 327.331 2.764 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@]3(CCCOC3)C2)c1 ZINC000295719378 295365867 /nfs/dbraw/zinc/36/58/67/295365867.db2.gz TXTGKNBGDOWVTJ-QGZVFWFLSA-N 0 0 329.356 2.529 10 5 EFBERN O=C1CC[C@H](COc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1 ZINC000295753371 295371159 /nfs/dbraw/zinc/37/11/59/295371159.db2.gz OALUGRFZXSSVTE-VIFPVBQESA-N 0 0 332.278 2.909 10 5 EFBERN CN(CC1(CO)CC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000295777063 295374573 /nfs/dbraw/zinc/37/45/73/295374573.db2.gz YVSSCHKDEGROOH-UHFFFAOYSA-N 0 0 341.367 2.501 10 5 EFBERN CO[C@@H]1COCC[C@H]1Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000295864642 295388243 /nfs/dbraw/zinc/38/82/43/295388243.db2.gz GTYLHMGFPLYXPI-SMDDNHRTSA-N 0 0 333.344 2.547 10 5 EFBERN CO[C@@H]1COCC[C@@H]1Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000295864632 295388330 /nfs/dbraw/zinc/38/83/30/295388330.db2.gz GTYLHMGFPLYXPI-BXUZGUMPSA-N 0 0 333.344 2.547 10 5 EFBERN Cn1cc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000296123516 295427981 /nfs/dbraw/zinc/42/79/81/295427981.db2.gz RAGUEAVASSRIJB-UHFFFAOYSA-N 0 0 342.355 2.807 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnc(C2CC2)nc1 ZINC000296143185 295431058 /nfs/dbraw/zinc/43/10/58/295431058.db2.gz SVONTTVNUSBHQN-UHFFFAOYSA-N 0 0 326.356 2.577 10 5 EFBERN COc1ccc(CNC(=O)NCCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000296223148 295443809 /nfs/dbraw/zinc/44/38/09/295443809.db2.gz FXBZQGIXBWUDKO-UHFFFAOYSA-N 0 0 331.319 2.838 10 5 EFBERN C[C@H]1C[C@H](S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000296364095 295464444 /nfs/dbraw/zinc/46/44/44/295464444.db2.gz RCUQZIYXXAXHKY-DTWKUNHWSA-N 0 0 335.765 2.524 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000452594764 295555875 /nfs/dbraw/zinc/55/58/75/295555875.db2.gz RBOIPLIHGLRTAR-DJIMGWMZSA-N 0 0 332.400 2.679 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@@H]1C(F)F ZINC000337310995 304507753 /nfs/dbraw/zinc/50/77/53/304507753.db2.gz WESOXFRWOZRCJN-SNVBAGLBSA-N 0 0 342.298 2.626 10 5 EFBERN Cc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000370106024 301123596 /nfs/dbraw/zinc/12/35/96/301123596.db2.gz UDBGNSORFTZVEZ-QWQRMKEZSA-N 0 0 348.399 2.702 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(=O)Nc3ccccc32)c1 ZINC000358496049 301848019 /nfs/dbraw/zinc/84/80/19/301848019.db2.gz IXYMYZDMDBJZDR-UHFFFAOYSA-N 0 0 325.324 2.892 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COc1cc(N[C@@H]2CCN(c3ccccc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000301932112 311167394 /nfs/dbraw/zinc/16/73/94/311167394.db2.gz PCYTWTOKANLCDQ-CYBMUJFWSA-N 0 0 345.330 2.960 10 5 EFBERN COc1cccc2c1CC[C@H]2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301952322 311168483 /nfs/dbraw/zinc/16/84/83/311168483.db2.gz JKCALHZTOBYEJG-GFCCVEGCSA-N 0 0 325.328 2.746 10 5 EFBERN COCc1cc(CNc2ccc3ncc([N+](=O)[O-])n3n2)ccc1F ZINC000301953016 311168551 /nfs/dbraw/zinc/16/85/51/311168551.db2.gz CQLAWCGPQXNKRA-UHFFFAOYSA-N 0 0 331.307 2.535 10 5 EFBERN COc1ccccc1[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301963399 311169038 /nfs/dbraw/zinc/16/90/38/311169038.db2.gz IZCNTBUTHDUONS-LBPRGKRZSA-N 0 0 339.355 2.640 10 5 EFBERN Cc1cc(NCC(=O)NCc2ccco2)c2cccc([N+](=O)[O-])c2n1 ZINC000301979197 311169715 /nfs/dbraw/zinc/16/97/15/311169715.db2.gz AFPCUAYKXBCAHY-UHFFFAOYSA-N 0 0 340.339 2.773 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000301978032 311169949 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NC(=O)c1cncc(Oc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000302047322 311174510 /nfs/dbraw/zinc/17/45/10/311174510.db2.gz NRDXPPLNTVZPGC-UHFFFAOYSA-N 0 0 338.117 2.644 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(C)cc2)c1 ZINC000302101770 311178015 /nfs/dbraw/zinc/17/80/15/311178015.db2.gz QEWSFUDGKZOOKF-MRXNPFEDSA-N 0 0 330.340 2.835 10 5 EFBERN NS(=O)(=O)c1cccc(Sc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000302113742 311178544 /nfs/dbraw/zinc/17/85/44/311178544.db2.gz BOMHPOMWEBGRLP-UHFFFAOYSA-N 0 0 346.336 2.672 10 5 EFBERN CCc1ccc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1F ZINC000302128165 311179158 /nfs/dbraw/zinc/17/91/58/311179158.db2.gz JFDHUEZRAIIRTF-UHFFFAOYSA-N 0 0 339.348 2.687 10 5 EFBERN CC1=CCN(CCNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000302139776 311179902 /nfs/dbraw/zinc/17/99/02/311179902.db2.gz GIAQJEZACOIFFF-UHFFFAOYSA-N 0 0 341.209 2.816 10 5 EFBERN C[C@H]1CCC[C@H](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302142808 311180337 /nfs/dbraw/zinc/18/03/37/311180337.db2.gz PTGDVTOFMILJFS-NWDGAFQWSA-N 0 0 341.433 2.871 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccco3)C2)c1 ZINC000302157967 311181228 /nfs/dbraw/zinc/18/12/28/311181228.db2.gz JBHLAOGGCMEAGJ-HNNXBMFYSA-N 0 0 332.312 2.552 10 5 EFBERN COC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302156719 311181386 /nfs/dbraw/zinc/18/13/86/311181386.db2.gz NFJOINRJDVZAIJ-VIFPVBQESA-N 0 0 330.287 2.586 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2coc(-c3ccc(F)cc3)n2)nc1 ZINC000302163245 311181731 /nfs/dbraw/zinc/18/17/31/311181731.db2.gz QDKSOJMQPMFMRB-UHFFFAOYSA-N 0 0 329.291 2.834 10 5 EFBERN COc1ccc(CC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000302162306 311181739 /nfs/dbraw/zinc/18/17/39/311181739.db2.gz PVEGHPNAKBMKIK-UHFFFAOYSA-N 0 0 328.372 2.853 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC(CN3CCc4ccccc43)CC2)nc1 ZINC000302168333 311182116 /nfs/dbraw/zinc/18/21/16/311182116.db2.gz SQWFUPUKCFJDBW-UHFFFAOYSA-N 0 0 339.399 2.664 10 5 EFBERN COc1cc(N[C@H]2CCCN(c3cccnc3)C2=O)ccc1[N+](=O)[O-] ZINC000302168439 311182131 /nfs/dbraw/zinc/18/21/31/311182131.db2.gz PJYZSHLPTRGOOA-AWEZNQCLSA-N 0 0 342.355 2.606 10 5 EFBERN Cc1cc(NCCC2(C)OCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000302173454 311182346 /nfs/dbraw/zinc/18/23/46/311182346.db2.gz VVOFLNWOZMVUSA-UHFFFAOYSA-N 0 0 344.371 2.925 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000302183734 311183066 /nfs/dbraw/zinc/18/30/66/311183066.db2.gz OMWJHCFLJXKAOC-SNVBAGLBSA-N 0 0 346.387 2.775 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000302195969 311183899 /nfs/dbraw/zinc/18/38/99/311183899.db2.gz SNYJILCBMJPWLL-SUMWQHHRSA-N 0 0 334.372 2.513 10 5 EFBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2COC)CC[S@@]1=O ZINC000302214230 311185148 /nfs/dbraw/zinc/18/51/48/311185148.db2.gz GNFRQYNTNHRVFK-QHCPKHFHSA-N 0 0 340.445 2.869 10 5 EFBERN CCC1(CC)CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000302215904 311185215 /nfs/dbraw/zinc/18/52/15/311185215.db2.gz HZZFOGJHPWJLAI-NRFANRHFSA-N 0 0 331.825 2.771 10 5 EFBERN COC(=O)/C=C/c1ccc(Oc2ccc(C)[n+]([O-])c2)c([N+](=O)[O-])c1 ZINC000302224554 311185808 /nfs/dbraw/zinc/18/58/08/311185808.db2.gz QMKCNHPUZHYACA-VMPITWQZSA-N 0 0 330.296 2.515 10 5 EFBERN CCOc1cccc(N[C@H]2CCc3nc(CC)nn3C2)c1[N+](=O)[O-] ZINC000302241210 311187089 /nfs/dbraw/zinc/18/70/89/311187089.db2.gz XWEHOUSTRLMDSQ-NSHDSACASA-N 0 0 331.376 2.574 10 5 EFBERN CC1(C)CC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])O1 ZINC000302464381 311190653 /nfs/dbraw/zinc/19/06/53/311190653.db2.gz VCDLPSIKJGYWQC-ZDUSSCGKSA-N 0 0 333.388 2.857 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000302498298 311191631 /nfs/dbraw/zinc/19/16/31/311191631.db2.gz NOLHGCQRKPNNSD-KGLIPLIRSA-N 0 0 340.383 2.912 10 5 EFBERN COC(=O)c1cnc(Nc2ccc3c(c2)N(C)CC3)c([N+](=O)[O-])c1 ZINC000302659446 311195560 /nfs/dbraw/zinc/19/55/60/311195560.db2.gz AUXVRIXVUQNNRP-UHFFFAOYSA-N 0 0 328.328 2.512 10 5 EFBERN CCO[C@H]1C[C@](O)(CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1(C)C ZINC000302669178 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C[C@@H]1C[C@@H](C)[C@H](C)N(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302696431 311196835 /nfs/dbraw/zinc/19/68/35/311196835.db2.gz SXHXIXPIFHIZIS-BBBLOLIVSA-N 0 0 332.447 2.931 10 5 EFBERN COC(=O)c1cnc(N(C)Cc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000302741639 311198892 /nfs/dbraw/zinc/19/88/92/311198892.db2.gz ZHZBKBVVSMQSNV-UHFFFAOYSA-N 0 0 333.319 2.860 10 5 EFBERN COC(=O)c1cnc(NC[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000302769718 311199906 /nfs/dbraw/zinc/19/99/06/311199906.db2.gz MNRRHEZVYVKCPK-INIZCTEOSA-N 0 0 337.376 2.520 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000302808327 311202406 /nfs/dbraw/zinc/20/24/06/311202406.db2.gz GJJBAPIKIHSFOH-WCQYABFASA-N 0 0 341.795 2.604 10 5 EFBERN O=[N+]([O-])c1ccc(OC2CN(c3ncnc4c(F)cccc43)C2)cc1 ZINC000302855302 311204235 /nfs/dbraw/zinc/20/42/35/311204235.db2.gz ROSYIUMJRNRIPV-UHFFFAOYSA-N 0 0 340.314 2.945 10 5 EFBERN CC[C@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303824245 311210412 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/nfs/dbraw/zinc/87/33/03/317873303.db2.gz ZJGRVXJWTCIBBW-UHFFFAOYSA-N 0 0 327.325 2.761 10 5 EFBERN CNc1ccc(C(=O)N=c2cc(C)n([C@H](C)C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000544260342 317878612 /nfs/dbraw/zinc/87/86/12/317878612.db2.gz JWUTWBIHUHROQE-LLVKDONJSA-N 0 0 343.387 2.787 10 5 EFBERN NC(=O)[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000545212945 317910704 /nfs/dbraw/zinc/91/07/04/317910704.db2.gz XKPZZDSDDHDNMX-OAHLLOKOSA-N 0 0 340.314 2.921 10 5 EFBERN CNc1ccc(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000546214834 317956638 /nfs/dbraw/zinc/95/66/38/317956638.db2.gz NCPOQCORWHSWIW-SGTLLEGYSA-N 0 0 349.431 2.944 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(C(F)(F)c3ccc(F)cc3)no2)n1 ZINC000547079534 317987663 /nfs/dbraw/zinc/98/76/63/317987663.db2.gz JFTOANXWOHQMPX-UHFFFAOYSA-N 0 0 339.233 2.658 10 5 EFBERN COc1ccc(Cc2nc([C@@H]3CCO[C@H](C)C3)no2)cc1[N+](=O)[O-] ZINC000547214487 317991445 /nfs/dbraw/zinc/99/14/45/317991445.db2.gz WDQIPAZBCMNIOC-ZYHUDNBSSA-N 0 0 333.344 2.860 10 5 EFBERN CSc1cccc(C(=O)N(C)Cc2cnn(C)c2C)c1[N+](=O)[O-] ZINC000547741248 318036132 /nfs/dbraw/zinc/03/61/32/318036132.db2.gz NPGMMGSEBNXMPG-UHFFFAOYSA-N 0 0 334.401 2.631 10 5 EFBERN Cc1c(CN(C)C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cnn1C ZINC000548069883 318069837 /nfs/dbraw/zinc/06/98/37/318069837.db2.gz CCMMOHYWPKAFNS-UHFFFAOYSA-N 0 0 330.388 2.834 10 5 EFBERN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000548091904 318072231 /nfs/dbraw/zinc/07/22/31/318072231.db2.gz NWSMFYILCISYRY-LLVKDONJSA-N 0 0 337.339 2.871 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 ZINC000548286273 318090286 /nfs/dbraw/zinc/09/02/86/318090286.db2.gz ZCGUNJGKONOROD-UHFFFAOYSA-N 0 0 342.403 2.534 10 5 EFBERN CC[C@@H]1C(=O)N(CC)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000548293391 318091012 /nfs/dbraw/zinc/09/10/12/318091012.db2.gz SAMACYKSNLIJDA-CQSZACIVSA-N 0 0 328.372 2.590 10 5 EFBERN COc1ccc(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000548421237 318105906 /nfs/dbraw/zinc/10/59/06/318105906.db2.gz HGHYHIDGCZPLIS-ONGXEEELSA-N 0 0 346.305 2.945 10 5 EFBERN COc1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000548421236 318105989 /nfs/dbraw/zinc/10/59/89/318105989.db2.gz HGHYHIDGCZPLIS-MWLCHTKSSA-N 0 0 346.305 2.945 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000548748921 318139240 /nfs/dbraw/zinc/13/92/40/318139240.db2.gz GNNFHLLQCULQIT-UHFFFAOYSA-N 0 0 342.399 2.580 10 5 EFBERN O=C(Nc1cccc(C2CC2)n1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000548803514 318145859 /nfs/dbraw/zinc/14/58/59/318145859.db2.gz YPEDYJQJFFDGFD-UHFFFAOYSA-N 0 0 341.323 2.891 10 5 EFBERN Cc1nc(-c2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)cs1 ZINC000548927332 318157649 /nfs/dbraw/zinc/15/76/49/318157649.db2.gz JLKGUPUGAVHYNS-UHFFFAOYSA-N 0 0 343.368 2.680 10 5 EFBERN Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000549524847 318176135 /nfs/dbraw/zinc/17/61/35/318176135.db2.gz RUCRNPNKJNPBTC-HOCLYGCPSA-N 0 0 346.408 2.985 10 5 EFBERN COc1cnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1 ZINC000550077836 318186870 /nfs/dbraw/zinc/18/68/70/318186870.db2.gz GJLBQCNVNUJGJG-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568318 318194756 /nfs/dbraw/zinc/19/47/56/318194756.db2.gz GCERHLKTVQRNJL-RHSMWYFYSA-N 0 0 345.443 2.990 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2cccc(O)c21 ZINC000551765961 318215600 /nfs/dbraw/zinc/21/56/00/318215600.db2.gz DAJLHZJCMRTVMZ-OAHLLOKOSA-N 0 0 326.352 2.689 10 5 EFBERN Cn1ccnc1[C@@H](NCCOCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552065213 318240949 /nfs/dbraw/zinc/24/09/49/318240949.db2.gz KOPAFURAWYEQNV-KRWDZBQOSA-N 0 0 344.415 2.824 10 5 EFBERN CO[C@H]1C[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000552847647 318264599 /nfs/dbraw/zinc/26/45/99/318264599.db2.gz KHYMFXVWTLCURO-PHIMTYICSA-N 0 0 344.820 2.976 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000553248547 318276177 /nfs/dbraw/zinc/27/61/77/318276177.db2.gz ZZNUAWFPBSHTLW-LLVKDONJSA-N 0 0 329.356 2.722 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000553605091 318288474 /nfs/dbraw/zinc/28/84/74/318288474.db2.gz NWZJSGQSAAKYJG-CVEARBPZSA-N 0 0 329.356 2.527 10 5 EFBERN Cc1nnc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)s1 ZINC000554891973 318339862 /nfs/dbraw/zinc/33/98/62/318339862.db2.gz CRGOYKWBGXAZCD-UHFFFAOYSA-N 0 0 346.290 2.704 10 5 EFBERN CC(C)(C(=O)N1CC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000555216895 318349780 /nfs/dbraw/zinc/34/97/80/318349780.db2.gz ILIKNZBWGFRXAI-JTQLQIEISA-N 0 0 346.305 2.852 10 5 EFBERN C[C@@H](C(=O)N(C)c1cccnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555737470 318367604 /nfs/dbraw/zinc/36/76/04/318367604.db2.gz AAAZMSMNUZFTJX-GFCCVEGCSA-N 0 0 328.372 2.822 10 5 EFBERN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 ZINC000557509380 318439515 /nfs/dbraw/zinc/43/95/15/318439515.db2.gz ZMSVJEBAIAINRG-LBPRGKRZSA-N 0 0 338.367 2.934 10 5 EFBERN CC(C)(CNC(=O)NCCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000558711379 318488883 /nfs/dbraw/zinc/48/88/83/318488883.db2.gz YBGZUQMPEIGRRO-UHFFFAOYSA-N 0 0 348.325 2.894 10 5 EFBERN COc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000558755043 318490970 /nfs/dbraw/zinc/49/09/70/318490970.db2.gz SKFARNXWLAYVKN-UHFFFAOYSA-N 0 0 334.332 2.711 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000560507230 318561152 /nfs/dbraw/zinc/56/11/52/318561152.db2.gz RIGOKSJOGAARRN-BBWFWOEESA-N 0 0 347.415 2.820 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000560507239 318561183 /nfs/dbraw/zinc/56/11/83/318561183.db2.gz RIGOKSJOGAARRN-ZACQAIPSSA-N 0 0 347.415 2.820 10 5 EFBERN C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CS1 ZINC000560862877 318579637 /nfs/dbraw/zinc/57/96/37/318579637.db2.gz TVGPPTHVMZQNSA-JQWIXIFHSA-N 0 0 348.428 2.812 10 5 EFBERN C[C@H](C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000562406431 318644798 /nfs/dbraw/zinc/64/47/98/318644798.db2.gz ZZZHCJAGBPPSDE-RCBQFDQVSA-N 0 0 334.416 2.954 10 5 EFBERN CNc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000562559331 318664218 /nfs/dbraw/zinc/66/42/18/318664218.db2.gz KLGHPXGVNKQOOV-UNEWFSDZSA-N 0 0 347.415 2.792 10 5 EFBERN C[C@@]1(F)CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000562587710 318667968 /nfs/dbraw/zinc/66/79/68/318667968.db2.gz QYQNUHKFFQTDGJ-OAHLLOKOSA-N 0 0 325.340 2.507 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000563193856 318751660 /nfs/dbraw/zinc/75/16/60/318751660.db2.gz PDBHDCMUGRHOTR-SKDRFNHKSA-N 0 0 342.779 2.956 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1noc(C2CC2)n1 ZINC000564159755 318844519 /nfs/dbraw/zinc/84/45/19/318844519.db2.gz TYTHEZOCXRIITH-UHFFFAOYSA-N 0 0 336.735 2.747 10 5 EFBERN COc1cccc(N2CCN(c3c(OC)cccc3[N+](=O)[O-])CC2)c1 ZINC000564238044 318849702 /nfs/dbraw/zinc/84/97/02/318849702.db2.gz BJJDHSLMWXYCFY-UHFFFAOYSA-N 0 0 343.383 2.939 10 5 EFBERN Cc1noc([C@@H](C)N(C)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000565548514 318981761 /nfs/dbraw/zinc/98/17/61/318981761.db2.gz IVZWSOKMADFASC-NXEZZACHSA-N 0 0 333.348 2.750 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000565726359 318997028 /nfs/dbraw/zinc/99/70/28/318997028.db2.gz RUOBJRNDQASZEX-SNVBAGLBSA-N 0 0 333.310 2.676 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1Cl ZINC000565862164 319008883 /nfs/dbraw/zinc/00/88/83/319008883.db2.gz UQNVWKDGMSDKHL-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN CN(CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)CC(F)(F)F ZINC000566006959 319022873 /nfs/dbraw/zinc/02/28/73/319022873.db2.gz YHZYFPMIBNFWOK-UHFFFAOYSA-N 0 0 332.326 2.775 10 5 EFBERN C[C@H]1OCC[C@@]12CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)C[C@@H](C)O2 ZINC000566148983 319040453 /nfs/dbraw/zinc/04/04/53/319040453.db2.gz JFDLHSIRGJFMAW-SNUQEOBHSA-N 0 0 347.415 2.641 10 5 EFBERN CN(Cc1noc(C2CC2)n1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000566160581 319041859 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EFBERN Cc1c(CN(C)c2ncc([N+](=O)[O-])cc2C(F)(F)F)cnn1C ZINC000567092141 319137446 /nfs/dbraw/zinc/13/74/46/319137446.db2.gz FXWFTSXKZFPLBO-UHFFFAOYSA-N 0 0 329.282 2.687 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc2c1=O)NCC1CCCCC1 ZINC000567734426 319204986 /nfs/dbraw/zinc/20/49/86/319204986.db2.gz IYGVOYKRZNXXBU-UHFFFAOYSA-N 0 0 343.383 2.606 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCCn1cc(Br)cn1 ZINC000567752347 319208007 /nfs/dbraw/zinc/20/80/07/319208007.db2.gz HJVABLDCTGESTJ-UHFFFAOYSA-N 0 0 341.165 2.675 10 5 EFBERN O=[N+]([O-])c1cccc(-c2nc(Cc3ccc4c(c3)OCO4)no2)c1 ZINC000568147531 319250050 /nfs/dbraw/zinc/25/00/50/319250050.db2.gz IZBHARLMZMBKDW-UHFFFAOYSA-N 0 0 325.280 2.964 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(CO)cc2c1 ZINC000568306995 319270596 /nfs/dbraw/zinc/27/05/96/319270596.db2.gz KHHQKLSXRDSHHN-UHFFFAOYSA-N 0 0 327.296 2.789 10 5 EFBERN O=C(C[C@H]1CCCC[C@@H]1O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568346224 319272140 /nfs/dbraw/zinc/27/21/40/319272140.db2.gz 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ZINC000055798279 472239232 /nfs/dbraw/zinc/23/92/32/472239232.db2.gz HRWXGQLQQDWKNT-GFCCVEGCSA-N 0 0 330.340 2.687 10 5 EFBERN COCCN(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000055930007 472259711 /nfs/dbraw/zinc/25/97/11/472259711.db2.gz BBIKAHRQSWPXNV-ZDUSSCGKSA-N 0 0 335.404 2.550 10 5 EFBERN CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000043770031 472260426 /nfs/dbraw/zinc/26/04/26/472260426.db2.gz BOEIGUVISBAUJI-UHFFFAOYSA-N 0 0 327.340 2.825 10 5 EFBERN O=[N+]([O-])c1cn(Cc2noc3c2CCCC3)nc1-c1ccncc1 ZINC000076092551 472269124 /nfs/dbraw/zinc/26/91/24/472269124.db2.gz PHMSXEYXLCJRPA-UHFFFAOYSA-N 0 0 325.328 2.768 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCCC[C@@H]1O ZINC000086014911 472272681 /nfs/dbraw/zinc/27/26/81/472272681.db2.gz HEHYKZWZKDYGCL-KWQFWETISA-N 0 0 330.182 2.715 10 5 EFBERN O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000043946944 472275170 /nfs/dbraw/zinc/27/51/70/472275170.db2.gz UNKCJDGKXMGEEF-UHFFFAOYSA-N 0 0 334.200 2.986 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000056046289 472275833 /nfs/dbraw/zinc/27/58/33/472275833.db2.gz JGEQPQCGBCDVRI-CYBMUJFWSA-N 0 0 340.383 2.652 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000086963035 472293299 /nfs/dbraw/zinc/29/32/99/472293299.db2.gz IQWRJZCKIGBVMB-UHFFFAOYSA-N 0 0 339.395 2.876 10 5 EFBERN Cc1sc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000029892268 472303286 /nfs/dbraw/zinc/30/32/86/472303286.db2.gz ADEHCSUBOGKWGG-VIFPVBQESA-N 0 0 349.416 2.774 10 5 EFBERN O=C(N[C@@H]1CCc2c1cccc2F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000056323186 472305745 /nfs/dbraw/zinc/30/57/45/472305745.db2.gz QFCWIBIZYYZXRI-CYBMUJFWSA-N 0 0 344.298 2.880 10 5 EFBERN Nc1nc(Nc2cccc(OCC(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC000076268064 472309293 /nfs/dbraw/zinc/30/92/93/472309293.db2.gz WVQBVJNBNNCEMR-UHFFFAOYSA-N 0 0 329.238 2.652 10 5 EFBERN CCN(CC)C(=O)CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000087142097 472309611 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CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000088197707 472346386 /nfs/dbraw/zinc/34/63/86/472346386.db2.gz XITYMVQEJJNPEW-ZDUSSCGKSA-N 0 0 343.387 2.576 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000076435296 472348895 /nfs/dbraw/zinc/34/88/95/472348895.db2.gz AGSBOFAXTBNXMQ-GDBMZVCRSA-N 0 0 345.399 2.927 10 5 EFBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088270689 472353834 /nfs/dbraw/zinc/35/38/34/472353834.db2.gz FZZBQNIDVWZDBE-OCCSQVGLSA-N 0 0 334.372 2.755 10 5 EFBERN Cc1sc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000031010315 472357924 /nfs/dbraw/zinc/35/79/24/472357924.db2.gz PIOUNTPFCYCDRE-NXEZZACHSA-N 0 0 340.401 2.911 10 5 EFBERN COc1ccc(F)c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000088407030 472362875 /nfs/dbraw/zinc/36/28/75/472362875.db2.gz NDIMHXMXNNNMQR-UHFFFAOYSA-N 0 0 348.334 2.976 10 5 EFBERN O=c1oc2ccccc2n1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000069529516 472365096 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O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1ccc(-n2cccn2)cc1 ZINC000069629013 472385275 /nfs/dbraw/zinc/38/52/75/472385275.db2.gz OGDCGRUGZBOLBV-UHFFFAOYSA-N 0 0 336.307 2.737 10 5 EFBERN O=c1ccccn1Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000057140989 472385255 /nfs/dbraw/zinc/38/52/55/472385255.db2.gz OZNMMOMAPTWVBP-UHFFFAOYSA-N 0 0 336.351 2.812 10 5 EFBERN CNC(=O)c1ccc(N(C)C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000057141183 472385653 /nfs/dbraw/zinc/38/56/53/472385653.db2.gz HCDMFSBRDKUGBW-UHFFFAOYSA-N 0 0 325.368 2.558 10 5 EFBERN COCc1csc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000089223840 472394111 /nfs/dbraw/zinc/39/41/11/472394111.db2.gz WOSXXSZNAGMWDL-UHFFFAOYSA-N 0 0 336.373 2.562 10 5 EFBERN Cc1nn(CN(C)Cc2cccc([N+](=O)[O-])c2)c(=O)c2ccccc12 ZINC000096795042 472399766 /nfs/dbraw/zinc/39/97/66/472399766.db2.gz OMPWEOZMCQJLPP-UHFFFAOYSA-N 0 0 338.367 2.703 10 5 EFBERN Cc1ncsc1-c1nc(COc2ncc(C)cc2[N+](=O)[O-])no1 ZINC000128150462 472409356 /nfs/dbraw/zinc/40/93/56/472409356.db2.gz XWNRRCMBBCAMFI-UHFFFAOYSA-N 0 0 333.329 2.692 10 5 EFBERN COc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000097027694 472412138 /nfs/dbraw/zinc/41/21/38/472412138.db2.gz KNNJMGIDEZGBCN-UHFFFAOYSA-N 0 0 329.312 2.546 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154311306 472415896 /nfs/dbraw/zinc/41/58/96/472415896.db2.gz DCNVXEIKFNKDAY-BJJXKVORSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1cc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000154330288 472418526 /nfs/dbraw/zinc/41/85/26/472418526.db2.gz KMMIDFRARWCYHQ-UHFFFAOYSA-N 0 0 340.426 2.794 10 5 EFBERN CN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000076967380 472434869 /nfs/dbraw/zinc/43/48/69/472434869.db2.gz SCAQSGDHEAQVNB-HNNXBMFYSA-N 0 0 347.415 2.836 10 5 EFBERN COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000089469980 472444496 /nfs/dbraw/zinc/44/44/96/472444496.db2.gz NEOVCBISSYQHNU-AWEZNQCLSA-N 0 0 341.367 2.846 10 5 EFBERN COc1ccc(CNc2ccc(-n3ccnn3)cc2)cc1[N+](=O)[O-] ZINC000089466075 472445139 /nfs/dbraw/zinc/44/51/39/472445139.db2.gz LMTSBHPCKINWAK-UHFFFAOYSA-N 0 0 325.328 2.796 10 5 EFBERN Cc1cccc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1[N+](=O)[O-] ZINC000089466737 472445323 /nfs/dbraw/zinc/44/53/23/472445323.db2.gz LJEVLWSGKYZCEP-CYBMUJFWSA-N 0 0 339.351 2.523 10 5 EFBERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000097142270 472461111 /nfs/dbraw/zinc/46/11/11/472461111.db2.gz DRYIPQJVFBOWOB-OTYXRUKQSA-N 0 0 328.315 2.664 10 5 EFBERN CN(C)c1ncccc1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162474 472470005 /nfs/dbraw/zinc/47/00/05/472470005.db2.gz DTHOMXUTJBRKKB-UHFFFAOYSA-N 0 0 334.763 2.639 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000154768490 472471244 /nfs/dbraw/zinc/47/12/44/472471244.db2.gz LGINWQLCWZNYJX-LSDHHAIUSA-N 0 0 338.429 2.983 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC(O)(C(F)(F)F)CC2)c1 ZINC000089636227 472473388 /nfs/dbraw/zinc/47/33/88/472473388.db2.gz HTAKLOBQGKHRDW-UHFFFAOYSA-N 0 0 338.257 2.636 10 5 EFBERN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)cs1 ZINC000032901037 472477684 /nfs/dbraw/zinc/47/76/84/472477684.db2.gz PQQOFWAFIPTZMR-UHFFFAOYSA-N 0 0 336.373 2.670 10 5 EFBERN O=C1NCCCC[C@H]1Oc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000057839144 472481741 /nfs/dbraw/zinc/48/17/41/472481741.db2.gz MFBGOUZUSKZRQM-OAHLLOKOSA-N 0 0 343.339 2.830 10 5 EFBERN O=C(Cn1cc(Nc2ccccc2[N+](=O)[O-])cn1)NC1CCCC1 ZINC000057854687 472485526 /nfs/dbraw/zinc/48/55/26/472485526.db2.gz ONAKSMPNKXRHBG-UHFFFAOYSA-N 0 0 329.360 2.594 10 5 EFBERN Cc1cccc2[nH]c(CNC(=O)Cc3cccc([N+](=O)[O-])c3C)nc21 ZINC000154985497 472494235 /nfs/dbraw/zinc/49/42/35/472494235.db2.gz YXFVUICJRXOEGJ-UHFFFAOYSA-N 0 0 338.367 2.947 10 5 EFBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000077334549 472505304 /nfs/dbraw/zinc/50/53/04/472505304.db2.gz BNWPCQAQAUQNBN-HNNXBMFYSA-N 0 0 341.367 2.873 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1CN1CCCN(c2cccnn2)CC1 ZINC000118978862 472517445 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10 5 EFBERN COCCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000046364869 472548312 /nfs/dbraw/zinc/54/83/12/472548312.db2.gz CEILZGPISNHKKR-UHFFFAOYSA-N 0 0 344.367 2.858 10 5 EFBERN COc1ccc(F)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000046401834 472554169 /nfs/dbraw/zinc/55/41/69/472554169.db2.gz FCTWQRXKCTUHLA-JTQLQIEISA-N 0 0 333.319 2.937 10 5 EFBERN Cc1ccc(OC[C@H](O)COc2cc(N(C)C)ccc2[N+](=O)[O-])cc1 ZINC000155535768 472564400 /nfs/dbraw/zinc/56/44/00/472564400.db2.gz JTTGDNJGFGRMHY-HNNXBMFYSA-N 0 0 346.383 2.788 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCOc2ccccc21 ZINC000077618698 472567609 /nfs/dbraw/zinc/56/76/09/472567609.db2.gz YTVQZSBSGLJZCJ-UHFFFAOYSA-N 0 0 328.324 2.789 10 5 EFBERN CC(C)(C)c1nc(-c2ccc(NC(=O)[C@H]3CC3[N+](=O)[O-])cc2)no1 ZINC000058423771 472568656 /nfs/dbraw/zinc/56/86/56/472568656.db2.gz VZFVGWYFVWBAME-RYUDHWBXSA-N 0 0 330.344 2.638 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000155592156 472576358 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Cc1csc(NC(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000155699943 472597981 /nfs/dbraw/zinc/59/79/81/472597981.db2.gz HCNDIEZTRCILKS-UHFFFAOYSA-N 0 0 346.412 2.963 10 5 EFBERN NC(=O)N1CCCCC[C@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000071889348 472601920 /nfs/dbraw/zinc/60/19/20/472601920.db2.gz CCWOITZFMQPRMM-AWEZNQCLSA-N 0 0 347.419 2.530 10 5 EFBERN CC[C@H](NS(=O)(=O)C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000090222175 472609666 /nfs/dbraw/zinc/60/96/66/472609666.db2.gz XSBCPFBBGSBACJ-CABCVRRESA-N 0 0 342.417 2.534 10 5 EFBERN CC[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000090222768 472609779 /nfs/dbraw/zinc/60/97/79/472609779.db2.gz AJOPBPZGPIHHJT-GJZGRUSLSA-N 0 0 342.417 2.534 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NCCc1ccsc1 ZINC000046907635 472620396 /nfs/dbraw/zinc/62/03/96/472620396.db2.gz ZKBAKSPBGBBVEC-UHFFFAOYSA-N 0 0 334.401 2.610 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(SC(=O)N(C)C)cc2)c1=O ZINC000155823746 472621950 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CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156011921 472655354 /nfs/dbraw/zinc/65/53/54/472655354.db2.gz YIIRXZLRKBGXOS-CYBMUJFWSA-N 0 0 344.375 2.714 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN1CCc2sccc2C1 ZINC000047211246 472671528 /nfs/dbraw/zinc/67/15/28/472671528.db2.gz GOBCEDVLGNZSIH-UHFFFAOYSA-N 0 0 345.424 2.673 10 5 EFBERN NC(=O)C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000091016867 472676535 /nfs/dbraw/zinc/67/65/35/472676535.db2.gz CXTSTFWJAIUAFO-CQSZACIVSA-N 0 0 340.383 2.891 10 5 EFBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)n1 ZINC000047254383 472677812 /nfs/dbraw/zinc/67/78/12/472677812.db2.gz BXHCLEQCQPLZNJ-ZDUSSCGKSA-N 0 0 341.371 2.548 10 5 EFBERN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078265592 472684801 /nfs/dbraw/zinc/68/48/01/472684801.db2.gz ARYQEVQCEFYZQC-CQSZACIVSA-N 0 0 346.774 2.885 10 5 EFBERN C[C@H](C1CC1)n1nccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060956823 472685321 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10 5 EFBERN CCCOc1cccc(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000135517472 473086324 /nfs/dbraw/zinc/08/63/24/473086324.db2.gz UYEUUFLEAOWKGE-UHFFFAOYSA-N 0 0 344.371 2.532 10 5 EFBERN CCOc1ccc(C(=O)NCc2c(C)nn(CC)c2C)cc1[N+](=O)[O-] ZINC000066478582 473104505 /nfs/dbraw/zinc/10/45/05/473104505.db2.gz BQXCORVCTUCSFY-UHFFFAOYSA-N 0 0 346.387 2.757 10 5 EFBERN Cc1cccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])n1 ZINC000052473155 473110801 /nfs/dbraw/zinc/11/08/01/473110801.db2.gz QMENJULVPNRAGF-UHFFFAOYSA-N 0 0 326.356 2.803 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000123221284 473113428 /nfs/dbraw/zinc/11/34/28/473113428.db2.gz BMFYUHRDKFJKAR-IAQYHMDHSA-N 0 0 332.335 2.654 10 5 EFBERN CCCc1n[nH]c(C(=O)N(C)CCc2ccccc2OC)c1[N+](=O)[O-] ZINC000109627775 473113406 /nfs/dbraw/zinc/11/34/06/473113406.db2.gz VFJHKSMQZKRUOM-UHFFFAOYSA-N 0 0 346.387 2.594 10 5 EFBERN CCCc1n[nH]c(C(=O)NCCCc2cccc(F)c2)c1[N+](=O)[O-] ZINC000109700418 473114241 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CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000109855164 473130663 /nfs/dbraw/zinc/13/06/63/473130663.db2.gz FFXGQICQXNGJPW-ZDUSSCGKSA-N 0 0 343.387 2.534 10 5 EFBERN Cc1cccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000052617720 473132922 /nfs/dbraw/zinc/13/29/22/473132922.db2.gz LJIYWMYDELWSTE-UHFFFAOYSA-N 0 0 329.356 2.758 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2ccc(F)cc2)CC1 ZINC000081034558 473135046 /nfs/dbraw/zinc/13/50/46/473135046.db2.gz GRWDJMYMPVYQBC-UHFFFAOYSA-N 0 0 344.346 2.612 10 5 EFBERN O=C(Nc1cccc(F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000109984925 473137483 /nfs/dbraw/zinc/13/74/83/473137483.db2.gz OCBYDYHWNHHAIQ-GFCCVEGCSA-N 0 0 347.302 2.570 10 5 EFBERN CCOC(=O)Cc1csc(Sc2ccncc2[N+](=O)[O-])n1 ZINC000066796981 473154242 /nfs/dbraw/zinc/15/42/42/473154242.db2.gz UZSDZDBTYXNEGU-UHFFFAOYSA-N 0 0 325.371 2.703 10 5 EFBERN O=c1ccccn1Cc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000066810412 473156034 /nfs/dbraw/zinc/15/60/34/473156034.db2.gz XEXNAIFSIYNMAK-UHFFFAOYSA-N 0 0 336.351 2.812 10 5 EFBERN O=C(NC1CCCCC1)C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066811038 473156167 /nfs/dbraw/zinc/15/61/67/473156167.db2.gz IMHOJVQWUJLXKR-UHFFFAOYSA-N 0 0 332.404 2.655 10 5 EFBERN COc1ccc(-n2ccc(CNc3ccncc3[N+](=O)[O-])n2)cc1 ZINC000066810410 473156287 /nfs/dbraw/zinc/15/62/87/473156287.db2.gz QYAFPZKFXMXEMJ-UHFFFAOYSA-N 0 0 325.328 2.796 10 5 EFBERN O=C1CCCN1Cc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000066810064 473156783 /nfs/dbraw/zinc/15/67/83/473156783.db2.gz BXEQDRKSQVYGLM-UHFFFAOYSA-N 0 0 326.356 2.724 10 5 EFBERN COc1cccc(N2CC[C@@H](CNc3ccncc3[N+](=O)[O-])C2)c1 ZINC000066812286 473156790 /nfs/dbraw/zinc/15/67/90/473156790.db2.gz DZFJRIOGEFFMNH-ZDUSSCGKSA-N 0 0 328.372 2.937 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000093944941 473166056 /nfs/dbraw/zinc/16/60/56/473166056.db2.gz WZQWCXNBSXWIJZ-UHFFFAOYSA-N 0 0 344.415 2.843 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000160748599 473170822 /nfs/dbraw/zinc/17/08/22/473170822.db2.gz DJEARBIMDABGEJ-UHFFFAOYSA-N 0 0 332.385 2.600 10 5 EFBERN CNC(=O)Cc1nc(COc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000081275408 473173257 /nfs/dbraw/zinc/17/32/57/473173257.db2.gz CZSLPBJUEJZOKI-UHFFFAOYSA-N 0 0 341.776 2.572 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(n2cncn2)CC1 ZINC000094072480 473173547 /nfs/dbraw/zinc/17/35/47/473173547.db2.gz WCAXXADTWHQFTN-UHFFFAOYSA-N 0 0 343.387 2.589 10 5 EFBERN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000136718495 473174130 /nfs/dbraw/zinc/17/41/30/473174130.db2.gz OZQDALPPARLLEV-GFCCVEGCSA-N 0 0 338.429 2.941 10 5 EFBERN COC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000075367902 473176775 /nfs/dbraw/zinc/17/67/75/473176775.db2.gz XRNZTVIIAQPFHT-MRXNPFEDSA-N 0 0 332.331 2.780 10 5 EFBERN C[C@]1(CNc2ncc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160806106 473176925 /nfs/dbraw/zinc/17/69/25/473176925.db2.gz VZQRHBXGRYHPJE-QGZVFWFLSA-N 0 0 327.388 2.851 10 5 EFBERN COC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000075367901 473177055 /nfs/dbraw/zinc/17/70/55/473177055.db2.gz XRNZTVIIAQPFHT-INIZCTEOSA-N 0 0 332.331 2.780 10 5 EFBERN CCc1nn(C)c(NCc2cccc(OCCOC)c2)c1[N+](=O)[O-] ZINC000094138517 473181325 /nfs/dbraw/zinc/18/13/25/473181325.db2.gz IMBPVGCURJSTHX-UHFFFAOYSA-N 0 0 334.376 2.528 10 5 EFBERN CCc1nn(C)c(NC2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094149552 473181356 /nfs/dbraw/zinc/18/13/56/473181356.db2.gz FUFMPXPGNHMSKG-UHFFFAOYSA-N 0 0 329.404 2.972 10 5 EFBERN CN(c1ncccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074148 473188823 /nfs/dbraw/zinc/18/88/23/473188823.db2.gz TXYRIUZJQMEWCX-LBPRGKRZSA-N 0 0 336.392 2.826 10 5 EFBERN Nc1c(C(=O)NC[C@H]2C[C@H]2c2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC000111050492 473191487 /nfs/dbraw/zinc/19/14/87/473191487.db2.gz FASCLRUPKXHMCQ-YPMHNXCESA-N 0 0 329.331 2.850 10 5 EFBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CCS1 ZINC000137153497 473196600 /nfs/dbraw/zinc/19/66/00/473196600.db2.gz JJTBTOPFBYENGV-QMMMGPOBSA-N 0 0 345.218 2.935 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000081450946 473201510 /nfs/dbraw/zinc/20/15/10/473201510.db2.gz ZHWPQCMBFBKVJM-SECBINFHSA-N 0 0 326.324 2.536 10 5 EFBERN COc1cccc(N2CC[C@@H](CNc3ccccn3)C2)c1[N+](=O)[O-] ZINC000185312199 473393240 /nfs/dbraw/zinc/39/32/40/473393240.db2.gz OBQNDGABTKFLCB-ZDUSSCGKSA-N 0 0 328.372 2.937 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000171461487 473393612 /nfs/dbraw/zinc/39/36/12/473393612.db2.gz POFGDHYYAOFSRQ-IRXDYDNUSA-N 0 0 341.367 2.948 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000151039083 473399924 /nfs/dbraw/zinc/39/99/24/473399924.db2.gz STZWZHDIAZJUNQ-YWPYICTPSA-N 0 0 338.429 2.743 10 5 EFBERN CC[C@@H](NC(=O)N1CC[C@](C)(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000177563632 473400198 /nfs/dbraw/zinc/40/01/98/473400198.db2.gz BQWHVZQGHZZJQU-PBHICJAKSA-N 0 0 349.387 2.641 10 5 EFBERN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCO[C@@H]21 ZINC000151089081 473407738 /nfs/dbraw/zinc/40/77/38/473407738.db2.gz WQNASZCGICIWTO-KMUNFCNLSA-N 0 0 329.356 2.619 10 5 EFBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc([N+](=O)[O-])cc1F ZINC000185376064 473409270 /nfs/dbraw/zinc/40/92/70/473409270.db2.gz XQOXGXYGFPMXMI-CQSZACIVSA-N 0 0 332.287 2.802 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000171579145 473413657 /nfs/dbraw/zinc/41/36/57/473413657.db2.gz PFZLKHWYMLOBEL-UHFFFAOYSA-N 0 0 334.401 2.982 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151166661 473418996 /nfs/dbraw/zinc/41/89/96/473418996.db2.gz LQSDQDPCKPOHEP-KSSFIOAISA-N 0 0 348.399 2.517 10 5 EFBERN CC[C@H](COC)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000151161123 473419246 /nfs/dbraw/zinc/41/92/46/473419246.db2.gz AFGGMBQMQFRSPP-DZGCQCFKSA-N 0 0 349.431 2.986 10 5 EFBERN CN(C(=O)CC1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000190910567 473426734 /nfs/dbraw/zinc/42/67/34/473426734.db2.gz HHXDPONMTCZURK-UHFFFAOYSA-N 0 0 334.372 2.881 10 5 EFBERN CCn1cnnc1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171644154 473427823 /nfs/dbraw/zinc/42/78/23/473427823.db2.gz TWGXVZAYDNCTMI-UHFFFAOYSA-N 0 0 333.367 2.725 10 5 EFBERN C[C@@H](NC(=O)NCCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000171643372 473428211 /nfs/dbraw/zinc/42/82/11/473428211.db2.gz CPJZDLDRFOUBRU-GFCCVEGCSA-N 0 0 329.356 2.903 10 5 EFBERN CC[C@@H](NC(=O)CCCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000177787490 473435273 /nfs/dbraw/zinc/43/52/73/473435273.db2.gz AKUIEQASBWBHGJ-CQSZACIVSA-N 0 0 332.360 2.876 10 5 EFBERN CC[C@@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177787905 473435903 /nfs/dbraw/zinc/43/59/03/473435903.db2.gz TXSOMUMZKMVZQY-VBNZEHGJSA-N 0 0 336.388 2.746 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177799219 473438299 /nfs/dbraw/zinc/43/82/99/473438299.db2.gz WNZMQKKPLKFZQW-CQSZACIVSA-N 0 0 346.412 2.575 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N(C[C@H]1CCCO1)c1ccncc1 ZINC000114134810 473443146 /nfs/dbraw/zinc/44/31/46/473443146.db2.gz VVNQRAHPENLJPS-MRXNPFEDSA-N 0 0 341.367 2.745 10 5 EFBERN COC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000151432944 473456013 /nfs/dbraw/zinc/45/60/13/473456013.db2.gz CTYGRKGXCJOEEX-SECBINFHSA-N 0 0 341.751 2.665 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000114361024 473456324 /nfs/dbraw/zinc/45/63/24/473456324.db2.gz SWJNUZLQZJBPHS-LBPRGKRZSA-N 0 0 333.369 2.877 10 5 EFBERN CC(C)N(CCc1nccs1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000151446953 473458837 /nfs/dbraw/zinc/45/88/37/473458837.db2.gz HTIYHKYFIWSICT-UHFFFAOYSA-N 0 0 349.412 2.910 10 5 EFBERN COc1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000114395313 473459617 /nfs/dbraw/zinc/45/96/17/473459617.db2.gz ZLKSPGBUUUZABK-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2(c3ccccc3)CC2)c1 ZINC000151476488 473462036 /nfs/dbraw/zinc/46/20/36/473462036.db2.gz MGNSQEQJJJAPCV-UHFFFAOYSA-N 0 0 346.408 2.746 10 5 EFBERN CC[C@@H](NC(=O)C(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178056799 473463647 /nfs/dbraw/zinc/46/36/47/473463647.db2.gz YMADRTWJYPTGFO-OAHLLOKOSA-N 0 0 345.330 2.940 10 5 EFBERN O=C([C@@H]1CCCc2n[nH]cc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163788982 473465296 /nfs/dbraw/zinc/46/52/96/473465296.db2.gz AVLNBTINEOQEFX-OAHLLOKOSA-N 0 0 340.383 2.929 10 5 EFBERN CC(C)(C(=O)N1CCC[C@]2(CC=CCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000114436043 473465750 /nfs/dbraw/zinc/46/57/50/473465750.db2.gz OBXGATKXFPUNEV-QGZVFWFLSA-N 0 0 332.404 2.875 10 5 EFBERN COc1cccc(N2CCC[C@H](c3nncn3C3CC3)C2)c1[N+](=O)[O-] ZINC000185655587 473480337 /nfs/dbraw/zinc/48/03/37/473480337.db2.gz HNGBMCCPEZPUFY-LBPRGKRZSA-N 0 0 343.387 2.914 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1cc([N+](=O)[O-])ccc1Cl ZINC000178299768 473485161 /nfs/dbraw/zinc/48/51/61/473485161.db2.gz DUPDNWBAXLVPJE-GJZGRUSLSA-N 0 0 332.743 2.636 10 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/nfs/dbraw/zinc/50/32/84/473503284.db2.gz GZSNTRNJKNYISA-JTQLQIEISA-N 0 0 341.414 2.708 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(Cn2cccn2)CC1 ZINC000126286699 473505520 /nfs/dbraw/zinc/50/55/20/473505520.db2.gz QXGTZEOHGIRNOF-UHFFFAOYSA-N 0 0 348.790 2.997 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185771135 473509822 /nfs/dbraw/zinc/50/98/22/473509822.db2.gz QMYXLVLGWNZSCQ-AWEZNQCLSA-N 0 0 342.417 2.565 10 5 EFBERN CCOC(=O)C(C)(C)CCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC000165682715 473514109 /nfs/dbraw/zinc/51/41/09/473514109.db2.gz FQOMXRBHTFILDJ-UHFFFAOYSA-N 0 0 338.360 2.911 10 5 EFBERN COc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc([N+](=O)[O-])c1C ZINC000191244835 473516179 /nfs/dbraw/zinc/51/61/79/473516179.db2.gz IIMRDCHOWRFQGQ-CQSZACIVSA-N 0 0 344.371 2.623 10 5 EFBERN Cc1c(Br)c(NC[C@@H]2CCC[C@H]2O)ncc1[N+](=O)[O-] ZINC000165784250 473516288 /nfs/dbraw/zinc/51/62/88/473516288.db2.gz HYEPULMOASBMHR-WCBMZHEXSA-N 0 0 330.182 2.634 10 5 EFBERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185805008 473518252 /nfs/dbraw/zinc/51/82/52/473518252.db2.gz WUFRGBWCSOMLKG-GFCCVEGCSA-N 0 0 335.385 2.762 10 5 EFBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185806626 473518396 /nfs/dbraw/zinc/51/83/96/473518396.db2.gz QJZHFFJPXFYVFC-SNVBAGLBSA-N 0 0 345.403 2.928 10 5 EFBERN COC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000126477501 473520304 /nfs/dbraw/zinc/52/03/04/473520304.db2.gz VDFCKVPBQZAYKH-KRWDZBQOSA-N 0 0 343.383 2.824 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1[N+](=O)[O-] ZINC000126533049 473525150 /nfs/dbraw/zinc/52/51/50/473525150.db2.gz REMNXYCCWVTPAR-JQWIXIFHSA-N 0 0 344.371 2.565 10 5 EFBERN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000166529498 473528389 /nfs/dbraw/zinc/52/83/89/473528389.db2.gz NTVJYUVEDYDZCL-GDBMZVCRSA-N 0 0 343.431 2.956 10 5 EFBERN Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000166554884 473528571 /nfs/dbraw/zinc/52/85/71/473528571.db2.gz BCEGUYWDFFCAIZ-GJZGRUSLSA-N 0 0 343.431 2.956 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000152197755 473534515 /nfs/dbraw/zinc/53/45/15/473534515.db2.gz DNWJSMOBSMOBGK-HOTGVXAUSA-N 0 0 332.381 2.570 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000115107898 473537010 /nfs/dbraw/zinc/53/70/10/473537010.db2.gz NDPZPHROMUTYCE-CQSZACIVSA-N 0 0 340.383 2.697 10 5 EFBERN CC(C)C[C@@H](CO)N(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000185879844 473537146 /nfs/dbraw/zinc/53/71/46/473537146.db2.gz OZYJHZGXLJFVTF-HNNXBMFYSA-N 0 0 349.431 2.674 10 5 EFBERN CC(C)C[C@H](CO)N(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000185879865 473537200 /nfs/dbraw/zinc/53/72/00/473537200.db2.gz OZYJHZGXLJFVTF-OAHLLOKOSA-N 0 0 349.431 2.674 10 5 EFBERN CC(C)(C)Oc1cc(N2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000613579028 480044898 /nfs/dbraw/zinc/04/48/98/480044898.db2.gz VRWMAQDUALROSM-QGZVFWFLSA-N 0 0 336.388 2.768 10 5 EFBERN C[C@@H]1CCC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178632076 473540647 /nfs/dbraw/zinc/54/06/47/473540647.db2.gz YMOMYXUPYZTJHC-OCCSQVGLSA-N 0 0 326.418 2.935 10 5 EFBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000191447720 473540907 /nfs/dbraw/zinc/54/09/07/473540907.db2.gz CQBAJPFOZRXXDB-CYBMUJFWSA-N 0 0 327.340 2.739 10 5 EFBERN C[C@@H](c1cccnc1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178663775 473543385 /nfs/dbraw/zinc/54/33/85/473543385.db2.gz UDQJOEYHRHPMLH-LBPRGKRZSA-N 0 0 335.385 2.513 10 5 EFBERN CCc1nnc(C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH]1 ZINC000191482696 473544227 /nfs/dbraw/zinc/54/42/27/473544227.db2.gz DNQWHJHFGBNRFY-UHFFFAOYSA-N 0 0 343.387 2.604 10 5 EFBERN CN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126818925 473548257 /nfs/dbraw/zinc/54/82/57/473548257.db2.gz YVUWRMGKFVEUEF-GFCCVEGCSA-N 0 0 332.278 2.865 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)C(C)C)n1 ZINC000191530362 473550430 /nfs/dbraw/zinc/55/04/30/473550430.db2.gz XKPALJVQNBOGKS-AWEZNQCLSA-N 0 0 330.388 2.981 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000185934788 473551656 /nfs/dbraw/zinc/55/16/56/473551656.db2.gz JZZWBYYESFXCEN-HUUCEWRRSA-N 0 0 349.387 2.691 10 5 EFBERN C[C@H](NC(=O)c1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000115338153 473557524 /nfs/dbraw/zinc/55/75/24/473557524.db2.gz XNCQGCDEUJHUNM-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170594003 473559036 /nfs/dbraw/zinc/55/90/36/473559036.db2.gz BRWNKCZHIBBQOR-ZANVPECISA-N 0 0 327.768 2.921 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCOc2ccccc2C(C)C)n1 ZINC000191612101 473560110 /nfs/dbraw/zinc/56/01/10/473560110.db2.gz WNUVZZPREIOWKD-UHFFFAOYSA-N 0 0 346.387 2.743 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ncccc2C)C(C)C)n1 ZINC000191617526 473561031 /nfs/dbraw/zinc/56/10/31/473561031.db2.gz PQSXTNSDLQPVMD-ZDUSSCGKSA-N 0 0 331.376 2.642 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000115364634 473561152 /nfs/dbraw/zinc/56/11/52/473561152.db2.gz NYKYCGKBXLWCMB-LBPRGKRZSA-N 0 0 349.416 2.700 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC3CC3)cc2)n1 ZINC000191614826 473561151 /nfs/dbraw/zinc/56/11/51/473561151.db2.gz ANVPJNGXBRDPKO-UHFFFAOYSA-N 0 0 330.344 2.852 10 5 EFBERN Cc1cnn([C@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000152434097 473562460 /nfs/dbraw/zinc/56/24/60/473562460.db2.gz CGKOFUSYRGDNIN-KRWDZBQOSA-N 0 0 342.399 2.896 10 5 EFBERN C[C@@]1(C(N)=O)CCCCN1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185973703 473563097 /nfs/dbraw/zinc/56/30/97/473563097.db2.gz SDUITYUFJSCMMR-AWEZNQCLSA-N 0 0 345.321 2.844 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000170627787 473568733 /nfs/dbraw/zinc/56/87/33/473568733.db2.gz ZXCUDDVVFNPSLV-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCc2ccccn2)c1 ZINC000178831934 473573060 /nfs/dbraw/zinc/57/30/60/473573060.db2.gz YWGOLZAHEHIUPD-UHFFFAOYSA-N 0 0 343.383 2.816 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000152556917 473577189 /nfs/dbraw/zinc/57/71/89/473577189.db2.gz UYCVQMWAVNLDDD-UWVGGRQHSA-N 0 0 330.793 2.669 10 5 EFBERN Cc1ccc([C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000127108036 473577268 /nfs/dbraw/zinc/57/72/68/473577268.db2.gz JLVGBNJSWDFGTF-MRXNPFEDSA-N 0 0 330.340 2.639 10 5 EFBERN CNC(=O)[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C(C)C ZINC000178862590 473579767 /nfs/dbraw/zinc/57/97/67/473579767.db2.gz VANZFDTYHOJAAW-QGZVFWFLSA-N 0 0 335.407 2.888 10 5 EFBERN O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170674040 473581956 /nfs/dbraw/zinc/58/19/56/473581956.db2.gz DLABXGUKJDDETK-NPQIQWPPSA-N 0 0 326.356 2.737 10 5 EFBERN COCc1csc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 ZINC000191851190 473582389 /nfs/dbraw/zinc/58/23/89/473582389.db2.gz BZZYPLMXKHOWBF-UHFFFAOYSA-N 0 0 337.357 2.767 10 5 EFBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCCO1 ZINC000170688002 473586969 /nfs/dbraw/zinc/58/69/69/473586969.db2.gz OXEOIULBVYCFPY-RISCZKNCSA-N 0 0 332.360 2.817 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2cccc(-c3ncon3)c2)c1[N+](=O)[O-] ZINC000172346259 473587249 /nfs/dbraw/zinc/58/72/49/473587249.db2.gz SJSWSXLKNQOYRF-UHFFFAOYSA-N 0 0 342.315 2.573 10 5 EFBERN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000186154031 473602366 /nfs/dbraw/zinc/60/23/66/473602366.db2.gz LGRIMYFYGZYRDL-UHFFFAOYSA-N 0 0 343.265 2.611 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000170780816 473612242 /nfs/dbraw/zinc/61/22/42/473612242.db2.gz DQJDZBFISXWMHF-INIZCTEOSA-N 0 0 345.330 2.651 10 5 EFBERN COC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170791346 473614296 /nfs/dbraw/zinc/61/42/96/473614296.db2.gz DJXCNVVFISGIHP-SECBINFHSA-N 0 0 341.751 2.665 10 5 EFBERN CSc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000116114444 473627283 /nfs/dbraw/zinc/62/72/83/473627283.db2.gz OSZIBKABIPCGMS-LBPRGKRZSA-N 0 0 346.412 2.680 10 5 EFBERN CCc1ccc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000179092930 473627496 /nfs/dbraw/zinc/62/74/96/473627496.db2.gz CXHCGCAKNUBRMO-UHFFFAOYSA-N 0 0 345.330 2.551 10 5 EFBERN Cc1cccc(-c2noc(Cn3cc(Cl)cc([N+](=O)[O-])c3=O)n2)c1 ZINC000153608780 473632897 /nfs/dbraw/zinc/63/28/97/473632897.db2.gz ZBVGSWDGZDJYLA-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN O=Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116212503 473638197 /nfs/dbraw/zinc/63/81/97/473638197.db2.gz CVAYUAGDYPTIMH-CYBMUJFWSA-N 0 0 344.323 2.743 10 5 EFBERN O=Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116212501 473638897 /nfs/dbraw/zinc/63/88/97/473638897.db2.gz CVAYUAGDYPTIMH-ZDUSSCGKSA-N 0 0 344.323 2.743 10 5 EFBERN C[C@@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000172554535 473641656 /nfs/dbraw/zinc/64/16/56/473641656.db2.gz FGTHDFYCORGWDR-GFCCVEGCSA-N 0 0 343.387 2.968 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c(N)c([N+](=O)[O-])c1 ZINC000170899995 473643000 /nfs/dbraw/zinc/64/30/00/473643000.db2.gz ZPCMKHIETQVVGH-SECBINFHSA-N 0 0 331.294 2.900 10 5 EFBERN C[C@H](NC(=O)NCCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000179179325 473648105 /nfs/dbraw/zinc/64/81/05/473648105.db2.gz FRASNPIEHWLRKH-ZDUSSCGKSA-N 0 0 328.372 2.983 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000186335505 473653122 /nfs/dbraw/zinc/65/31/22/473653122.db2.gz LYZDBANOUMEHQD-AINHQSCGSA-N 0 0 348.399 2.700 10 5 EFBERN Cc1cccc(C(=O)NCCOc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000170951700 473653418 /nfs/dbraw/zinc/65/34/18/473653418.db2.gz BTRYUICPZVRRBO-UHFFFAOYSA-N 0 0 336.294 2.990 10 5 EFBERN Cc1cc(C(=O)NCCOc2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000170951268 473653765 /nfs/dbraw/zinc/65/37/65/473653765.db2.gz MZVPTAXTALHMBA-UHFFFAOYSA-N 0 0 336.294 2.990 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCOc1ccc(F)cc1F ZINC000170952351 473654318 /nfs/dbraw/zinc/65/43/18/473654318.db2.gz VTUGTPJQZLDLGQ-UHFFFAOYSA-N 0 0 336.294 2.611 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)c2ccccc2C1 ZINC000186521590 473685209 /nfs/dbraw/zinc/68/52/09/473685209.db2.gz NEGOWXZXYURZTM-ZDUSSCGKSA-N 0 0 346.408 2.945 10 5 EFBERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192504388 473686482 /nfs/dbraw/zinc/68/64/82/473686482.db2.gz CIHRTZMJKGWHND-STQMWFEESA-N 0 0 347.396 2.834 10 5 EFBERN COc1cccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000172828372 473689572 /nfs/dbraw/zinc/68/95/72/473689572.db2.gz XEYAHDOTNRZHAW-NSHDSACASA-N 0 0 345.355 2.504 10 5 EFBERN C[C@H](Oc1cccc(CO)c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000179484334 473690037 /nfs/dbraw/zinc/69/00/37/473690037.db2.gz WSGOBWAXPCRRGY-ZDUSSCGKSA-N 0 0 344.367 2.513 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCCOc1ccc(F)cc1F ZINC000192575968 473693426 /nfs/dbraw/zinc/69/34/26/473693426.db2.gz XSRUGLFVFYEYHA-UHFFFAOYSA-N 0 0 326.303 2.889 10 5 EFBERN Cc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)n1 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/nfs/dbraw/zinc/84/05/28/474840528.db2.gz RMEDKUWSIRFIBZ-ZETCQYMHSA-N 0 0 334.706 2.929 10 5 EFBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000273320121 474841111 /nfs/dbraw/zinc/84/11/11/474841111.db2.gz KKLJRXLLBABYEQ-SLZMIMFISA-N 0 0 326.356 2.915 10 5 EFBERN CC(C)(C)C1CC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339020489 474842874 /nfs/dbraw/zinc/84/28/74/474842874.db2.gz FJHKYEGLXVVZNU-UHFFFAOYSA-N 0 0 326.418 2.839 10 5 EFBERN COc1ccc(CNC(=O)Nc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000268181046 474847522 /nfs/dbraw/zinc/84/75/22/474847522.db2.gz VBHWLUUCFVZHPX-UHFFFAOYSA-N 0 0 336.373 2.998 10 5 EFBERN CN(CC(=O)N1CCCC[C@H]1C(F)F)c1ccccc1[N+](=O)[O-] ZINC000337286165 474859933 /nfs/dbraw/zinc/85/99/33/474859933.db2.gz MANDZTDVUNAELG-ZDUSSCGKSA-N 0 0 327.331 2.677 10 5 EFBERN COc1ncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000285032249 474869198 /nfs/dbraw/zinc/86/91/98/474869198.db2.gz SJIGQOBWCNDRLQ-UHFFFAOYSA-N 0 0 349.774 2.967 10 5 EFBERN COC[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC(C)(C)O1 ZINC000285049523 474874479 /nfs/dbraw/zinc/87/44/79/474874479.db2.gz OFBKBUCIKWFONA-GFCCVEGCSA-N 0 0 331.372 2.773 10 5 EFBERN Cc1c(NC(=O)NCC2(CO)CC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000278858324 474876915 /nfs/dbraw/zinc/87/69/15/474876915.db2.gz MOSKMAPVMRUFFZ-UHFFFAOYSA-N 0 0 333.388 2.968 10 5 EFBERN CCNC(=O)C[C@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000285085327 474886679 /nfs/dbraw/zinc/88/66/79/474886679.db2.gz PYQCSBUSNAHQAO-CYBMUJFWSA-N 0 0 348.403 2.816 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCO)Cc1cccnc1 ZINC000278880939 474890386 /nfs/dbraw/zinc/89/03/86/474890386.db2.gz YOWYHMOJHVMXCQ-UHFFFAOYSA-N 0 0 349.774 2.586 10 5 EFBERN CN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293250505 474890968 /nfs/dbraw/zinc/89/09/68/474890968.db2.gz TXALXLGAUIKYQQ-SNVBAGLBSA-N 0 0 332.278 2.865 10 5 EFBERN COC(=O)CCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273443308 474899550 /nfs/dbraw/zinc/89/95/50/474899550.db2.gz JSQJHSSOTWBIKF-UHFFFAOYSA-N 0 0 327.312 2.589 10 5 EFBERN CC(=O)N1C[C@@H]2CCC[C@@H](Nc3nc(C)cc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000341049768 474916907 /nfs/dbraw/zinc/91/69/07/474916907.db2.gz UGXQNPVZGAIZIZ-SOUVJXGZSA-N 0 0 332.404 2.666 10 5 EFBERN C[C@@]1(C(N)=O)CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339088549 474917416 /nfs/dbraw/zinc/91/74/16/474917416.db2.gz FGAGLHWXVNTUFW-AWEZNQCLSA-N 0 0 345.321 2.844 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2COc3ccccc32)c1 ZINC000341055825 474922774 /nfs/dbraw/zinc/92/27/74/474922774.db2.gz ZRCFHXUANRTGQE-GFCCVEGCSA-N 0 0 328.324 2.970 10 5 EFBERN CCOc1ccc(C(=O)NCc2csc(CC)n2)cc1[N+](=O)[O-] ZINC000341067737 474936915 /nfs/dbraw/zinc/93/69/15/474936915.db2.gz MBURIJYYAOSLTL-UHFFFAOYSA-N 0 0 335.385 2.942 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC1(C)C ZINC000339110141 474937448 /nfs/dbraw/zinc/93/74/48/474937448.db2.gz QVBWVDWEIHBTKT-NSHDSACASA-N 0 0 342.417 2.708 10 5 EFBERN COCC1(c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000341091078 474963680 /nfs/dbraw/zinc/96/36/80/474963680.db2.gz QZAUQVXACNWTFW-DAXSKMNVSA-N 0 0 345.355 2.843 10 5 EFBERN Nc1c(C(=O)Nc2cc(F)cc(F)c2F)cc(F)cc1[N+](=O)[O-] ZINC000324501496 474970455 /nfs/dbraw/zinc/97/04/55/474970455.db2.gz LGTAIOSSOAOHDO-UHFFFAOYSA-N 0 0 329.209 2.986 10 5 EFBERN CN(C[C@H]1CCCN1c1cccnn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000261405538 474976163 /nfs/dbraw/zinc/97/61/63/474976163.db2.gz OVXWGNVJSYGPDO-CYBMUJFWSA-N 0 0 331.351 2.629 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1C(F)F ZINC000337408549 474986560 /nfs/dbraw/zinc/98/65/60/474986560.db2.gz NWOGQDFWUSYQOR-LBPRGKRZSA-N 0 0 327.331 2.961 10 5 EFBERN CCC[C@@H](C)C(=O)NCCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000292369232 474987720 /nfs/dbraw/zinc/98/77/20/474987720.db2.gz ADWSHDCAGLUILE-MNWMYKRDSA-N 0 0 347.415 2.667 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])NCCc1cccc2[nH]ccc21 ZINC000337439675 475019903 /nfs/dbraw/zinc/01/99/03/475019903.db2.gz YXFVFZLRPPGERO-UHFFFAOYSA-N 0 0 339.351 2.814 10 5 EFBERN COC(=O)c1cc(NCCN(C)CC(F)(F)F)cc(C)c1[N+](=O)[O-] ZINC000268507234 475020660 /nfs/dbraw/zinc/02/06/60/475020660.db2.gz VDBURILYDAVJMU-UHFFFAOYSA-N 0 0 349.309 2.596 10 5 EFBERN Cc1ncc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000339195964 475027955 /nfs/dbraw/zinc/02/79/55/475027955.db2.gz HWHRQTREDZRZOW-UHFFFAOYSA-N 0 0 328.328 2.588 10 5 EFBERN CO[C@H](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000345248681 475028481 /nfs/dbraw/zinc/02/84/81/475028481.db2.gz OMGKSSFBNKTRKW-LLVKDONJSA-N 0 0 335.282 2.992 10 5 EFBERN Cc1ccc(-c2nnco2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000339198062 475031388 /nfs/dbraw/zinc/03/13/88/475031388.db2.gz ILUVCZVCKOSPRH-UHFFFAOYSA-N 0 0 339.311 2.909 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3CCCc4ccccc43)no2)n1 ZINC000273744667 475037977 /nfs/dbraw/zinc/03/79/77/475037977.db2.gz OIWZEMQXTWMBNH-LBPRGKRZSA-N 0 0 325.328 2.847 10 5 EFBERN C[C@H](NC(=O)c1cccc(-n2cccn2)n1)c1ccccc1[N+](=O)[O-] ZINC000341330785 475042686 /nfs/dbraw/zinc/04/26/86/475042686.db2.gz ZKBKACCSQIWYDI-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN CO[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[C@H]1C ZINC000341436186 475053141 /nfs/dbraw/zinc/05/31/41/475053141.db2.gz SJAFTNVTVLLUDG-KCJUWKMLSA-N 0 0 344.209 2.922 10 5 EFBERN CO[C@H](C)[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000292521492 475067960 /nfs/dbraw/zinc/06/79/60/475067960.db2.gz LDYJFYILGODLSL-ZIAGYGMSSA-N 0 0 338.407 2.694 10 5 EFBERN O=c1[nH]c(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc2ccc([N+](=O)[O-])cc21 ZINC000281116140 475079521 /nfs/dbraw/zinc/07/95/21/475079521.db2.gz GYOJRHKAGMTJRF-ZKYQVNSYSA-N 0 0 330.344 2.613 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc(C)nc2C2CC2)c1 ZINC000341484808 475081078 /nfs/dbraw/zinc/08/10/78/475081078.db2.gz LXWIEPANFLHBMH-UHFFFAOYSA-N 0 0 328.328 2.832 10 5 EFBERN COc1cc(CNc2ccc(N3CCC3=O)cc2)c([N+](=O)[O-])cc1O ZINC000341492428 475087980 /nfs/dbraw/zinc/08/79/80/475087980.db2.gz VEPNKPJMPAOUEE-UHFFFAOYSA-N 0 0 343.339 2.658 10 5 EFBERN Cc1cn2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000339269916 475104098 /nfs/dbraw/zinc/10/40/98/475104098.db2.gz GUJSPCBNWKSYMN-UHFFFAOYSA-N 0 0 326.312 2.568 10 5 EFBERN Cc1cn2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000339273805 475109299 /nfs/dbraw/zinc/10/92/99/475109299.db2.gz ZQTFNXXCMJGGII-UHFFFAOYSA-N 0 0 326.312 2.568 10 5 EFBERN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(=O)N1C ZINC000337540897 475110255 /nfs/dbraw/zinc/11/02/55/475110255.db2.gz KKBUMCKNRBXTMG-LBPRGKRZSA-N 0 0 329.356 2.517 10 5 EFBERN C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)N1C ZINC000337547491 475114750 /nfs/dbraw/zinc/11/47/50/475114750.db2.gz PMAXMYFJHGVCNG-GFCCVEGCSA-N 0 0 345.424 2.986 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC2(CC1)OCCCO2 ZINC000292637745 475129298 /nfs/dbraw/zinc/12/92/98/475129298.db2.gz AQYFUEAIBFSHEW-UHFFFAOYSA-N 0 0 329.356 2.876 10 5 EFBERN CC1(CNc2ccc([N+](=O)[O-])cc2Br)OCCCO1 ZINC000281294041 475157543 /nfs/dbraw/zinc/15/75/43/475157543.db2.gz SWJGEYZLRGBHTA-UHFFFAOYSA-N 0 0 331.166 2.922 10 5 EFBERN COc1c(C)cc(CN(C)C(=O)c2ccc([N+](=O)[O-])n2C)cc1C ZINC000337602628 475175393 /nfs/dbraw/zinc/17/53/93/475175393.db2.gz OTDOBGZGWAPVCK-UHFFFAOYSA-N 0 0 331.372 2.831 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ccncc3)c2)n1 ZINC000345442168 475194049 /nfs/dbraw/zinc/19/40/49/475194049.db2.gz WIOWSHGCVHKAKC-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN Cn1cc([C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000345466886 475206869 /nfs/dbraw/zinc/20/68/69/475206869.db2.gz ZBLLOZCTVYGVJQ-INIZCTEOSA-N 0 0 346.387 2.611 10 5 EFBERN CCc1noc(C)c1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000292819033 475207515 /nfs/dbraw/zinc/20/75/15/475207515.db2.gz OTHKDJRFAUHZPO-UHFFFAOYSA-N 0 0 345.402 2.531 10 5 EFBERN Cn1cc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000345487930 475217276 /nfs/dbraw/zinc/21/72/76/475217276.db2.gz SRKWSOAQSNPUJV-MRXNPFEDSA-N 0 0 330.388 2.774 10 5 EFBERN COCC1(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000341686968 475223237 /nfs/dbraw/zinc/22/32/37/475223237.db2.gz RMMVBHGPEZRFEX-UHFFFAOYSA-N 0 0 329.356 2.629 10 5 EFBERN CNc1c(C(=O)NCCCc2nc(C(C)C)no2)cccc1[N+](=O)[O-] ZINC000361161995 475232889 /nfs/dbraw/zinc/23/28/89/475232889.db2.gz PWUYSRZSXJHSAS-UHFFFAOYSA-N 0 0 347.375 2.506 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)CCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000341720053 475248539 /nfs/dbraw/zinc/24/85/39/475248539.db2.gz XJOMBSUFBGSXQO-UHFFFAOYSA-N 0 0 342.417 2.656 10 5 EFBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000354554464 475250762 /nfs/dbraw/zinc/25/07/62/475250762.db2.gz QLUOCQMJIFXKSU-DINDLPBHSA-N 0 0 341.367 2.860 10 5 EFBERN Cc1nn(C)cc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341722644 475251445 /nfs/dbraw/zinc/25/14/45/475251445.db2.gz QFPQITLCIOJWDL-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN Cc1sc(C(=O)NC[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000345543820 475254135 /nfs/dbraw/zinc/25/41/35/475254135.db2.gz OZTGAVWAKBIKPU-ZDUSSCGKSA-N 0 0 334.397 2.546 10 5 EFBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2cn3ccnc3s2)n1 ZINC000345547094 475255906 /nfs/dbraw/zinc/25/59/06/475255906.db2.gz STBWMMVVZLQSSS-UHFFFAOYSA-N 0 0 327.325 2.945 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000341727270 475255979 /nfs/dbraw/zinc/25/59/79/475255979.db2.gz NGYMUWUYAPANOI-LLVKDONJSA-N 0 0 348.403 2.622 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC=C(c3ccccc3)C2)n1 ZINC000347349231 475256449 /nfs/dbraw/zinc/25/64/49/475256449.db2.gz LJHVHVHDCLGNHF-UHFFFAOYSA-N 0 0 326.356 2.741 10 5 EFBERN CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341729798 475256725 /nfs/dbraw/zinc/25/67/25/475256725.db2.gz HVCBVJRWEAFEQY-GFCCVEGCSA-N 0 0 336.392 2.668 10 5 EFBERN O=[N+]([O-])c1cnn(CCNc2ncccc2OCc2ccccc2)c1 ZINC000354569857 475261677 /nfs/dbraw/zinc/26/16/77/475261677.db2.gz BOQBYVIRUSBSME-UHFFFAOYSA-N 0 0 339.355 2.877 10 5 EFBERN Cc1cccc(C(=O)NCc2ccnc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000341736467 475262923 /nfs/dbraw/zinc/26/29/23/475262923.db2.gz OQIVMLUABHKIOL-UHFFFAOYSA-N 0 0 337.282 2.830 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C[C@@H](C)OC)C(C)C ZINC000354583656 475269211 /nfs/dbraw/zinc/26/92/11/475269211.db2.gz XXRUFCIFURYWMI-GFCCVEGCSA-N 0 0 344.433 2.591 10 5 EFBERN C/C(=C/c1nc(Cc2cncn2C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000357939240 475276989 /nfs/dbraw/zinc/27/69/89/475276989.db2.gz TVENWXOVBUSYNV-XFFZJAGNSA-N 0 0 325.328 2.863 10 5 EFBERN CC[C@@H](CSc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357941481 475278809 /nfs/dbraw/zinc/27/88/09/475278809.db2.gz JFOVSTUVAFRMJS-NSHDSACASA-N 0 0 334.401 2.629 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354596445 475278920 /nfs/dbraw/zinc/27/89/20/475278920.db2.gz NIIIBHCZVOMQPW-UHFFFAOYSA-N 0 0 334.401 2.541 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000354610454 475288351 /nfs/dbraw/zinc/28/83/51/475288351.db2.gz QCPXPUPQDUMGMW-UHFFFAOYSA-N 0 0 333.294 2.654 10 5 EFBERN O=C(NCCc1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341772862 475289601 /nfs/dbraw/zinc/28/96/01/475289601.db2.gz AYUFNAKHOHCUEX-UHFFFAOYSA-N 0 0 336.351 2.753 10 5 EFBERN O=C1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000361235793 475293975 /nfs/dbraw/zinc/29/39/75/475293975.db2.gz FQPQRNXEEZXEES-XHSDSOJGSA-N 0 0 338.367 2.559 10 5 EFBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352443170 475300508 /nfs/dbraw/zinc/30/05/08/475300508.db2.gz FNJKCSBHWOREHF-MGPLVRAMSA-N 0 0 340.335 2.987 10 5 EFBERN CCOc1cc(NC(=O)NN2CCCC2)c([N+](=O)[O-])cc1OCC ZINC000296412469 475305013 /nfs/dbraw/zinc/30/50/13/475305013.db2.gz RUQWADVGQDAQGL-UHFFFAOYSA-N 0 0 338.364 2.525 10 5 EFBERN CCC[C@@H]1C[C@@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000361253825 475305429 /nfs/dbraw/zinc/30/54/29/475305429.db2.gz UTUXLJNGYKWVBW-OCCSQVGLSA-N 0 0 344.371 2.740 10 5 EFBERN Cc1ccc2[nH]c(CNc3ncnc4cccc([N+](=O)[O-])c43)nc2c1 ZINC000347414920 475309719 /nfs/dbraw/zinc/30/97/19/475309719.db2.gz NVCBCAWDPWZKJD-UHFFFAOYSA-N 0 0 334.339 2.757 10 5 EFBERN CN(c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000361269412 475317359 /nfs/dbraw/zinc/31/73/59/475317359.db2.gz SOVFBJWZZCZRRD-UHFFFAOYSA-N 0 0 340.383 2.731 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)c1ncncc1Br ZINC000337790622 475326525 /nfs/dbraw/zinc/32/65/25/475326525.db2.gz CVIGFKGFNNUSNP-UHFFFAOYSA-N 0 0 337.177 2.826 10 5 EFBERN COc1cccc(C(=O)Nc2cnc(CC3CC3)nc2)c1[N+](=O)[O-] ZINC000341822476 475330832 /nfs/dbraw/zinc/33/08/32/475330832.db2.gz GSOUVMMTDFXPFC-UHFFFAOYSA-N 0 0 328.328 2.598 10 5 EFBERN COc1ccccc1C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000354718333 475356722 /nfs/dbraw/zinc/35/67/22/475356722.db2.gz LICWNIDWYWNJCZ-NSHDSACASA-N 0 0 328.324 2.664 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000354724600 475359657 /nfs/dbraw/zinc/35/96/57/475359657.db2.gz DQDWPJVGCLZREP-FRRDWIJNSA-N 0 0 343.387 2.682 10 5 EFBERN Nc1c(C(=O)NCCCNc2ccccc2F)cccc1[N+](=O)[O-] ZINC000345694433 475373096 /nfs/dbraw/zinc/37/30/96/475373096.db2.gz KINCMKJNNTVNDC-UHFFFAOYSA-N 0 0 332.335 2.548 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCCCNc1ccccc1F ZINC000345706873 475383475 /nfs/dbraw/zinc/38/34/75/475383475.db2.gz FXMDSSMTNFNMRH-UHFFFAOYSA-N 0 0 347.346 2.731 10 5 EFBERN CC(C)c1nn(C)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361361047 475385125 /nfs/dbraw/zinc/38/51/25/475385125.db2.gz AYWJUZBMOWWECM-UHFFFAOYSA-N 0 0 331.376 2.527 10 5 EFBERN COc1cc(CN2CCN([C@@H](C)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000352540393 475393429 /nfs/dbraw/zinc/39/34/29/475393429.db2.gz KPWNPCXZYOYLCT-NSHDSACASA-N 0 0 347.337 2.672 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccoc2)no1 ZINC000352543249 475397748 /nfs/dbraw/zinc/39/77/48/475397748.db2.gz BVYNGOPIEOSZRV-UHFFFAOYSA-N 0 0 328.328 2.912 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(F)cc(F)c1 ZINC000352543234 475398097 /nfs/dbraw/zinc/39/80/97/475398097.db2.gz BPRGJPOCTSQDQL-UHFFFAOYSA-N 0 0 349.337 2.986 10 5 EFBERN CC1(C2CC2)CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000354781856 475406571 /nfs/dbraw/zinc/40/65/71/475406571.db2.gz WCSBLFWYDZKYIP-UHFFFAOYSA-N 0 0 331.372 2.572 10 5 EFBERN Cc1nn(CCC(=O)Nc2cc(F)cc(F)c2F)c(C)c1[N+](=O)[O-] ZINC000348125206 475411174 /nfs/dbraw/zinc/41/11/74/475411174.db2.gz XWHWHHBDLPCVRS-UHFFFAOYSA-N 0 0 342.277 2.854 10 5 EFBERN C[C@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341923837 475415989 /nfs/dbraw/zinc/41/59/89/475415989.db2.gz PGNYSENRJRRJAY-LBPRGKRZSA-N 0 0 343.387 2.968 10 5 EFBERN Cc1ccncc1CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000361408552 475423378 /nfs/dbraw/zinc/42/33/78/475423378.db2.gz BXIHSKUUDZPIFS-UHFFFAOYSA-N 0 0 339.355 2.980 10 5 EFBERN COC(=O)c1cc(Oc2nc([C@@H](C)OC)ns2)ccc1[N+](=O)[O-] ZINC000337909260 475424102 /nfs/dbraw/zinc/42/41/02/475424102.db2.gz GMRUQKHTCMWRFK-SSDOTTSWSA-N 0 0 339.329 2.733 10 5 EFBERN Cc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)sc2nccn12 ZINC000337937558 475445494 /nfs/dbraw/zinc/44/54/94/475445494.db2.gz GCRWILIFCPWNLN-UHFFFAOYSA-N 0 0 330.369 2.585 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000345788530 475451321 /nfs/dbraw/zinc/45/13/21/475451321.db2.gz DANKSJGBENVRMW-XZJROXQQSA-N 0 0 340.807 2.610 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000337958384 475461828 /nfs/dbraw/zinc/46/18/28/475461828.db2.gz DSYYEZQILPXPMH-DLBZAZTESA-N 0 0 325.368 2.993 10 5 EFBERN COC(=O)c1cncc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000352624912 475469902 /nfs/dbraw/zinc/46/99/02/475469902.db2.gz CTTVNFFXBSFBIA-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN COc1ccc(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000337978571 475478861 /nfs/dbraw/zinc/47/88/61/475478861.db2.gz KITWJFRVZXSTOK-HUUCEWRRSA-N 0 0 341.367 2.959 10 5 EFBERN Cn1nnc2ccc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc21 ZINC000345818221 475480093 /nfs/dbraw/zinc/48/00/93/475480093.db2.gz ZISCBNDIXMBFJH-UHFFFAOYSA-N 0 0 339.355 2.542 10 5 EFBERN CC(C)CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCCc2cccnc21 ZINC000354878348 475484258 /nfs/dbraw/zinc/48/42/58/475484258.db2.gz CEKQBMNQUVLFKD-AWEZNQCLSA-N 0 0 343.387 2.889 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCOC[C@H]1CC1CCC1 ZINC000339776101 475490229 /nfs/dbraw/zinc/49/02/29/475490229.db2.gz KTVOSTMJZCFRQW-OAHLLOKOSA-N 0 0 347.415 2.733 10 5 EFBERN O=c1[nH]c(NCc2cc(F)ccc2F)nc2ccc([N+](=O)[O-])cc12 ZINC000342002904 475496043 /nfs/dbraw/zinc/49/60/43/475496043.db2.gz CXGQQQYHYTYCBY-UHFFFAOYSA-N 0 0 332.266 2.556 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCOC1 ZINC000345859492 475514865 /nfs/dbraw/zinc/51/48/65/475514865.db2.gz NYWBBVJWJZFXOD-OAHLLOKOSA-N 0 0 335.404 2.941 10 5 EFBERN CNC(=O)c1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000338028444 475521789 /nfs/dbraw/zinc/52/17/89/475521789.db2.gz DZFFQNGUPLTNGD-UHFFFAOYSA-N 0 0 341.367 2.535 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345879595 475532560 /nfs/dbraw/zinc/53/25/60/475532560.db2.gz LDVJMBHRYXHHRD-CQSZACIVSA-N 0 0 333.388 2.695 10 5 EFBERN Cc1ccnc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000348271319 475547255 /nfs/dbraw/zinc/54/72/55/475547255.db2.gz WOQNMRXXYRCBHC-OAHLLOKOSA-N 0 0 330.369 2.581 10 5 EFBERN C/C=C/C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC ZINC000361560484 475548635 /nfs/dbraw/zinc/54/86/35/475548635.db2.gz FOWWKDHDFXAYLB-RWCYGVJQSA-N 0 0 326.374 2.592 10 5 EFBERN CCC(C)(C)OCc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000348280716 475557817 /nfs/dbraw/zinc/55/78/17/475557817.db2.gz XNQJCFLNDQGJJG-UHFFFAOYSA-N 0 0 347.375 2.530 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000352716564 475558308 /nfs/dbraw/zinc/55/83/08/475558308.db2.gz SKRLXUBCMCIMKC-OLZOCXBDSA-N 0 0 348.399 2.720 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000338065798 475560319 /nfs/dbraw/zinc/56/03/19/475560319.db2.gz HVODUKHHRRQQHI-HNNXBMFYSA-N 0 0 335.404 2.736 10 5 EFBERN COC(=O)[C@@](C)(NCc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000361578208 475562667 /nfs/dbraw/zinc/56/26/67/475562667.db2.gz QJVXVBFENZEBCO-HNNXBMFYSA-N 0 0 338.360 2.973 10 5 EFBERN COc1ccncc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000348286410 475563380 /nfs/dbraw/zinc/56/33/80/475563380.db2.gz YOMUVXXXDIDEEB-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc(OC)c1O ZINC000338071193 475564424 /nfs/dbraw/zinc/56/44/24/475564424.db2.gz RLRCZTIOMPHTTJ-UHFFFAOYSA-N 0 0 346.339 2.556 10 5 EFBERN COC1(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000354968152 475566629 /nfs/dbraw/zinc/56/66/29/475566629.db2.gz YAAHGGVDSWSQGB-UHFFFAOYSA-N 0 0 344.314 2.885 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]2C(F)(F)F)c1 ZINC000352725236 475567359 /nfs/dbraw/zinc/56/73/59/475567359.db2.gz BAGVGCBZLYVDNJ-LLVKDONJSA-N 0 0 338.307 2.537 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(C(C)=O)s1 ZINC000348296735 475571612 /nfs/dbraw/zinc/57/16/12/475571612.db2.gz HTTDEFUFVTVGAG-UHFFFAOYSA-N 0 0 335.341 2.905 10 5 EFBERN COc1ccc(NC(=O)c2cc3c(cc2OC)OCO3)cc1[N+](=O)[O-] ZINC000352732356 475574063 /nfs/dbraw/zinc/57/40/63/475574063.db2.gz FMKYANOSJUXGOG-UHFFFAOYSA-N 0 0 346.295 2.593 10 5 EFBERN CC(C)(C)n1nnnc1COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000361591006 475576079 /nfs/dbraw/zinc/57/60/79/475576079.db2.gz XAFOUDSRLOPJPW-UHFFFAOYSA-N 0 0 345.281 2.934 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)=C(c3ccco3)C2)n1 ZINC000338124693 475607118 /nfs/dbraw/zinc/60/71/18/475607118.db2.gz NVPIFZOEVMQPIR-UHFFFAOYSA-N 0 0 330.344 2.724 10 5 EFBERN CCc1nnc(C)cc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000352773361 475608359 /nfs/dbraw/zinc/60/83/59/475608359.db2.gz YMXBQNQZJSLOSR-NSHDSACASA-N 0 0 326.356 2.847 10 5 EFBERN CCNc1ccc(C(=O)N[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000338135346 475616126 /nfs/dbraw/zinc/61/61/26/475616126.db2.gz SQCNOKYYCDIKKB-ZDUSSCGKSA-N 0 0 343.387 2.568 10 5 EFBERN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297149248 475629185 /nfs/dbraw/zinc/62/91/85/475629185.db2.gz IRCIBMVGEDISQE-ZIAGYGMSSA-N 0 0 328.372 2.737 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)COCC(F)F ZINC000338150330 475630950 /nfs/dbraw/zinc/63/09/50/475630950.db2.gz REPJLRITUXSXQL-UHFFFAOYSA-N 0 0 344.358 2.904 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCc3ccsc3C2)c1[N+](=O)[O-] ZINC000342721875 475632395 /nfs/dbraw/zinc/63/23/95/475632395.db2.gz HPRJXQUQWOKEBF-UHFFFAOYSA-N 0 0 333.369 2.709 10 5 EFBERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]1 ZINC000338160248 475639684 /nfs/dbraw/zinc/63/96/84/475639684.db2.gz XLEMBGYXAJTWOQ-ZDUSSCGKSA-N 0 0 333.323 2.528 10 5 EFBERN CCc1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)n[nH]1 ZINC000361660494 475641135 /nfs/dbraw/zinc/64/11/35/475641135.db2.gz KTFWPEROLHIPLQ-UHFFFAOYSA-N 0 0 333.367 2.794 10 5 EFBERN CN(C)S(=O)(=O)c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000339963341 475644230 /nfs/dbraw/zinc/64/42/30/475644230.db2.gz RUBAAKSKJDHBTQ-UHFFFAOYSA-N 0 0 341.433 2.837 10 5 EFBERN CC(=O)c1cc(NCCNC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000339971629 475652406 /nfs/dbraw/zinc/65/24/06/475652406.db2.gz DOXGROBCIFYDLF-UHFFFAOYSA-N 0 0 327.340 2.639 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccncn2)no1 ZINC000338198443 475667930 /nfs/dbraw/zinc/66/79/30/475667930.db2.gz UAJYCSOTXRKORK-UHFFFAOYSA-N 0 0 347.718 2.710 10 5 EFBERN CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H](O)C(F)F ZINC000297241936 475673030 /nfs/dbraw/zinc/67/30/30/475673030.db2.gz RDVSDDOMAKQUQG-SKDRFNHKSA-N 0 0 331.319 2.738 10 5 EFBERN CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H](O)C(F)F ZINC000297241932 475673106 /nfs/dbraw/zinc/67/31/06/475673106.db2.gz RDVSDDOMAKQUQG-JOYOIKCWSA-N 0 0 331.319 2.738 10 5 EFBERN COCC1(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000355110192 475673569 /nfs/dbraw/zinc/67/35/69/475673569.db2.gz WPGYMQGOTFOTSR-UHFFFAOYSA-N 0 0 342.342 2.739 10 5 EFBERN Cc1c(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358454531 475689954 /nfs/dbraw/zinc/68/99/54/475689954.db2.gz XCDGQPKKNAXTFK-KBPBESRZSA-N 0 0 348.447 2.965 10 5 EFBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000353117873 475693593 /nfs/dbraw/zinc/69/35/93/475693593.db2.gz RIRZILFLNLPRLH-LLVKDONJSA-N 0 0 347.758 2.979 10 5 EFBERN COc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000353119787 475695728 /nfs/dbraw/zinc/69/57/28/475695728.db2.gz XPAYOIXZTYARNW-UHFFFAOYSA-N 0 0 334.332 2.711 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000353124077 475698380 /nfs/dbraw/zinc/69/83/80/475698380.db2.gz HPPPNNXCOSRDAF-ZDUSSCGKSA-N 0 0 348.790 2.769 10 5 EFBERN CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000346613484 475701215 /nfs/dbraw/zinc/70/12/15/475701215.db2.gz ZEXISEMGTQJHGS-UHFFFAOYSA-N 0 0 345.384 2.763 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(OC)c(C)c3)no2)n1 ZINC000346638003 475722813 /nfs/dbraw/zinc/72/28/13/475722813.db2.gz XYCRELYHLVXKDH-UHFFFAOYSA-N 0 0 329.316 2.845 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[C@@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000358520824 475742371 /nfs/dbraw/zinc/74/23/71/475742371.db2.gz OQNFJIWNVMFBJU-SECBINFHSA-N 0 0 330.209 2.921 10 5 EFBERN CNC(=O)c1ccc(N[C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000340081213 475744000 /nfs/dbraw/zinc/74/40/00/475744000.db2.gz CCDSVPNEHNQJJP-MRXNPFEDSA-N 0 0 326.356 2.913 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000343081207 475750043 /nfs/dbraw/zinc/75/00/43/475750043.db2.gz ASFSXJLSQIKYBZ-COLVAYQJSA-N 0 0 336.388 2.783 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](c1cccnc1)C1CC1 ZINC000340092145 475751009 /nfs/dbraw/zinc/75/10/09/475751009.db2.gz AXXNDIPAEOVDQV-KRWDZBQOSA-N 0 0 340.383 2.983 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c[nH]nc2-c2ccccc2F)n1 ZINC000338288350 475751335 /nfs/dbraw/zinc/75/13/35/475751335.db2.gz XRBLEKBRURWDAV-UHFFFAOYSA-N 0 0 344.306 2.593 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000343081209 475752400 /nfs/dbraw/zinc/75/24/00/475752400.db2.gz ASFSXJLSQIKYBZ-VCTAVGKDSA-N 0 0 336.388 2.783 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340096317 475755453 /nfs/dbraw/zinc/75/54/53/475755453.db2.gz VDZCNUWFMYYZIC-INIZCTEOSA-N 0 0 347.396 2.728 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000340095673 475756012 /nfs/dbraw/zinc/75/60/12/475756012.db2.gz PNIGJDMYRVGYES-OAHLLOKOSA-N 0 0 347.396 2.728 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1nc2ccccc2[nH]1 ZINC000340097583 475757109 /nfs/dbraw/zinc/75/71/09/475757109.db2.gz ZKETVINSYQONTP-SNVBAGLBSA-N 0 0 327.344 2.691 10 5 EFBERN COc1cc(CN2CCN(c3cnccc3C)CC2)ccc1[N+](=O)[O-] ZINC000340109528 475765859 /nfs/dbraw/zinc/76/58/59/475765859.db2.gz RWXNHLRIVUJXLS-UHFFFAOYSA-N 0 0 342.399 2.629 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccnc1)C1CC1 ZINC000340116732 475771073 /nfs/dbraw/zinc/77/10/73/475771073.db2.gz NWGVUFQKGDLQCE-QGZVFWFLSA-N 0 0 340.383 2.983 10 5 EFBERN CCc1ncnc(CC)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000353225717 475783215 /nfs/dbraw/zinc/78/32/15/475783215.db2.gz AORWLYYCUFLNMW-UHFFFAOYSA-N 0 0 342.399 2.824 10 5 EFBERN CCN(CCC(=O)OC)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348633194 475788082 /nfs/dbraw/zinc/78/80/82/475788082.db2.gz JPOFPYKVHGGZIC-UHFFFAOYSA-N 0 0 348.277 2.639 10 5 EFBERN CC(C)CC[C@](C)(O)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000355289617 475802601 /nfs/dbraw/zinc/80/26/01/475802601.db2.gz JNMJBDGKEYVPJT-KRWDZBQOSA-N 0 0 333.388 2.993 10 5 EFBERN Nc1c(F)c(NCc2ccnc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000343141168 475803821 /nfs/dbraw/zinc/80/38/21/475803821.db2.gz PRSDLCALZHPNPU-UHFFFAOYSA-N 0 0 328.250 2.925 10 5 EFBERN COC(=O)c1cc(C(C)(C)NC/C=C\c2ccccc2[N+](=O)[O-])no1 ZINC000353251051 475804410 /nfs/dbraw/zinc/80/44/10/475804410.db2.gz QDZFZUWMCAZERM-VURMDHGXSA-N 0 0 345.355 2.908 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cc(F)c(F)cc32)s1 ZINC000353257147 475808591 /nfs/dbraw/zinc/80/85/91/475808591.db2.gz IFNYRDJZRQGHID-UHFFFAOYSA-N 0 0 346.336 2.686 10 5 EFBERN COC(=O)c1cc(C(C)(C)NCc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000353257211 475808668 /nfs/dbraw/zinc/80/86/68/475808668.db2.gz YOQFWGFCDANXCD-UHFFFAOYSA-N 0 0 333.344 2.703 10 5 EFBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@]2(CCCOC2)C1 ZINC000348669641 475809272 /nfs/dbraw/zinc/80/92/72/475809272.db2.gz HASAPRWOOWJPML-QWSHFYNQSA-N 0 0 332.400 2.880 10 5 EFBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@@]2(CCCOC2)C1 ZINC000348669639 475809515 /nfs/dbraw/zinc/80/95/15/475809515.db2.gz HASAPRWOOWJPML-BXBOZWQASA-N 0 0 332.400 2.880 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1F ZINC000338348834 475812772 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O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408142436 476941015 /nfs/dbraw/zinc/94/10/15/476941015.db2.gz WSPBLICBFVEMMD-UHFFFAOYSA-N 0 0 341.411 2.947 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000452397203 476947151 /nfs/dbraw/zinc/94/71/51/476947151.db2.gz ADXUNJDECQCUJE-KBPBESRZSA-N 0 0 328.372 2.642 10 5 EFBERN O=C(NCC1=CCOCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000452404441 476951450 /nfs/dbraw/zinc/95/14/50/476951450.db2.gz AGJMESUNZXAQOE-UHFFFAOYSA-N 0 0 345.380 2.795 10 5 EFBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C)[C@H](C)O1 ZINC000408443132 476953115 /nfs/dbraw/zinc/95/31/15/476953115.db2.gz MLKPSGHADCVKQA-HLTSFMKQSA-N 0 0 330.182 2.754 10 5 EFBERN C[C@@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000447172376 476960905 /nfs/dbraw/zinc/96/09/05/476960905.db2.gz QTMQLGGTSIZFTF-QGZVFWFLSA-N 0 0 346.408 2.947 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(n2cccn2)CC1 ZINC000366343765 476965208 /nfs/dbraw/zinc/96/52/08/476965208.db2.gz UPLKWILFLKMKSY-UHFFFAOYSA-N 0 0 344.371 2.667 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC)[C@H](O)C(F)F ZINC000452483870 476980986 /nfs/dbraw/zinc/98/09/86/476980986.db2.gz SQLUXOKGQMGWDX-BNOWGMLFSA-N 0 0 344.358 2.684 10 5 EFBERN O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431134044 476982497 /nfs/dbraw/zinc/98/24/97/476982497.db2.gz DIMRVQQVXQNRII-WDEREUQCSA-N 0 0 325.162 2.886 10 5 EFBERN CC(C)(C)C1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000457354117 476985775 /nfs/dbraw/zinc/98/57/75/476985775.db2.gz MVINZJHBGQVZGW-UHFFFAOYSA-N 0 0 328.372 2.899 10 5 EFBERN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000409643958 476989917 /nfs/dbraw/zinc/98/99/17/476989917.db2.gz HQQBGVAQMQAMCE-NWDGAFQWSA-N 0 0 339.417 3.000 10 5 EFBERN CC(C)N(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1COC1 ZINC000452572333 477004725 /nfs/dbraw/zinc/00/47/25/477004725.db2.gz AXUQEFNNYTVQMW-UHFFFAOYSA-N 0 0 344.820 2.976 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452573655 477005339 /nfs/dbraw/zinc/00/53/39/477005339.db2.gz LGMKLSSWMFSZGO-BBWFWOEESA-N 0 0 348.399 2.516 10 5 EFBERN CO[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CC(C)C ZINC000416063386 477007397 /nfs/dbraw/zinc/00/73/97/477007397.db2.gz PSDLEUNCDYWMFD-LLVKDONJSA-N 0 0 346.330 2.987 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452589768 477009380 /nfs/dbraw/zinc/00/93/80/477009380.db2.gz NVNYTIOFIOJVRH-BBWFWOEESA-N 0 0 348.399 2.516 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCC1CCOCC1 ZINC000452589819 477009435 /nfs/dbraw/zinc/00/94/35/477009435.db2.gz BVSCSFQCGKYXIG-UHFFFAOYSA-N 0 0 342.342 2.739 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000452594768 477010746 /nfs/dbraw/zinc/01/07/46/477010746.db2.gz RBOIPLIHGLRTAR-OIISXLGYSA-N 0 0 332.400 2.679 10 5 EFBERN COc1c(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000452599747 477013746 /nfs/dbraw/zinc/01/37/46/477013746.db2.gz VCCYYHSHKVJAQX-MCTLKSGKSA-N 0 0 328.368 2.888 10 5 EFBERN CN(CC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC000452603042 477014590 /nfs/dbraw/zinc/01/45/90/477014590.db2.gz HYYJPXFUCXJRAH-GJRWTSMGSA-N 0 0 341.411 2.702 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3nc4c(s3)CCCC4)nc2c1 ZINC000447677479 477033184 /nfs/dbraw/zinc/03/31/84/477033184.db2.gz URSWGSOAVAKKFK-UHFFFAOYSA-N 0 0 343.412 2.883 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3nc4cc(F)ccc4[nH]3)nc2c1 ZINC000447673754 477033876 /nfs/dbraw/zinc/03/38/76/477033876.db2.gz ZSWRTOGEOGYPQX-UHFFFAOYSA-N 0 0 340.318 2.563 10 5 EFBERN COc1ccc(CCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000447686750 477036263 /nfs/dbraw/zinc/03/62/63/477036263.db2.gz AOOLQIHTWCJFBH-UHFFFAOYSA-N 0 0 326.356 2.946 10 5 EFBERN COCCOc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000447692638 477038596 /nfs/dbraw/zinc/03/85/96/477038596.db2.gz GZUKBHDEZFONBB-UHFFFAOYSA-N 0 0 342.355 2.530 10 5 EFBERN CCC(=O)c1ccc(N2C[C@@H](CC)O[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000366496341 477039347 /nfs/dbraw/zinc/03/93/47/477039347.db2.gz WRZHAMVMYOJPDQ-RDTXWAMCSA-N 0 0 348.399 2.962 10 5 EFBERN CC[C@H]1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000431510880 477042446 /nfs/dbraw/zinc/04/24/46/477042446.db2.gz ILAXGJRNMVQXGV-XYPYZODXSA-N 0 0 327.406 2.623 10 5 EFBERN CCc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)no1 ZINC000370948155 477052296 /nfs/dbraw/zinc/05/22/96/477052296.db2.gz QUZXTNGXZSGSAT-CYBMUJFWSA-N 0 0 345.359 2.611 10 5 EFBERN CC(C)[C@@H]1N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000431608601 477060205 /nfs/dbraw/zinc/06/02/05/477060205.db2.gz KGGORPWRKMGANI-AWEZNQCLSA-N 0 0 326.418 2.791 10 5 EFBERN CC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431612122 477061256 /nfs/dbraw/zinc/06/12/56/477061256.db2.gz WDWKVOLRYLJLPS-MQMHXKEQSA-N 0 0 326.418 2.983 10 5 EFBERN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(C(F)(F)F)CCCC1 ZINC000416194939 477065865 /nfs/dbraw/zinc/06/58/65/477065865.db2.gz UFWPHJLELBGSCO-UHFFFAOYSA-N 0 0 343.305 2.997 10 5 EFBERN CC1(C)[C@H](O)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410880289 477072602 /nfs/dbraw/zinc/07/26/02/477072602.db2.gz VNFLQOXUSKBNGW-LLVKDONJSA-N 0 0 332.278 2.599 10 5 EFBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(F)(F)F ZINC000410963602 477083508 /nfs/dbraw/zinc/08/35/08/477083508.db2.gz NBFULBQMNAEDPF-UHFFFAOYSA-N 0 0 342.277 2.851 10 5 EFBERN O=C(NCC1(CF)CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000452790743 477083584 /nfs/dbraw/zinc/08/35/84/477083584.db2.gz HSBJUYLHORMBOF-UHFFFAOYSA-N 0 0 330.743 2.744 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000411024110 477091592 /nfs/dbraw/zinc/09/15/92/477091592.db2.gz BATASVRMCFJNTK-SNVBAGLBSA-N 0 0 332.278 2.911 10 5 EFBERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC000371041209 477094142 /nfs/dbraw/zinc/09/41/42/477094142.db2.gz DOBDMPDUCMXEHM-UHFFFAOYSA-N 0 0 328.324 2.631 10 5 EFBERN C[C@@H]1COCC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833869 477100611 /nfs/dbraw/zinc/10/06/11/477100611.db2.gz BITJRGMUSYJYLE-FRFSOERESA-N 0 0 332.400 2.973 10 5 EFBERN CNc1c(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452861184 477110164 /nfs/dbraw/zinc/11/01/64/477110164.db2.gz YEHIAZKDDMIZHX-SWLSCSKDSA-N 0 0 335.404 2.818 10 5 EFBERN CN(CC(=O)N1CC2CC1(C(F)(F)F)C2)c1ccccc1[N+](=O)[O-] ZINC000411118798 477119524 /nfs/dbraw/zinc/11/95/24/477119524.db2.gz UVHXPWNYHPNUIR-UHFFFAOYSA-N 0 0 343.305 2.584 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC3CC2(C(F)(F)F)C3)c1 ZINC000411123941 477121539 /nfs/dbraw/zinc/12/15/39/477121539.db2.gz ULLZCOTVOLCABR-UHFFFAOYSA-N 0 0 330.262 2.770 10 5 EFBERN CNC(=O)c1ccc(N2CCC(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000371097555 477124649 /nfs/dbraw/zinc/12/46/49/477124649.db2.gz GAPBWTLYKMNTRO-UHFFFAOYSA-N 0 0 340.383 2.733 10 5 EFBERN Cc1noc(C2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000371135287 477143164 /nfs/dbraw/zinc/14/31/64/477143164.db2.gz YZKOOOBQFFELDM-UHFFFAOYSA-N 0 0 330.344 2.742 10 5 EFBERN Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000416362046 477145951 /nfs/dbraw/zinc/14/59/51/477145951.db2.gz RKIQPKJVBFDPDK-LBPRGKRZSA-N 0 0 331.328 2.575 10 5 EFBERN Cc1noc(C2CCC(NC(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000371139332 477146012 /nfs/dbraw/zinc/14/60/12/477146012.db2.gz KTMVHNBVJWFVNK-UHFFFAOYSA-N 0 0 336.373 2.804 10 5 EFBERN CCN(Cc1ccncc1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416364319 477146108 /nfs/dbraw/zinc/14/61/08/477146108.db2.gz VSRKZVUSPVHCPU-UHFFFAOYSA-N 0 0 349.412 2.817 10 5 EFBERN Cc1nc2c(s1)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000366716117 477147395 /nfs/dbraw/zinc/14/73/95/477147395.db2.gz AFUFZNIRQXIYIV-LBPRGKRZSA-N 0 0 347.396 2.932 10 5 EFBERN COc1ccc(CSCC(=O)N2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000453022035 477148603 /nfs/dbraw/zinc/14/86/03/477148603.db2.gz CEGGAVYRBGSDDE-CYBMUJFWSA-N 0 0 336.413 2.848 10 5 EFBERN Cc1occc1CN(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416395242 477157628 /nfs/dbraw/zinc/15/76/28/477157628.db2.gz WJEHALXYNIVWNK-UHFFFAOYSA-N 0 0 338.385 2.934 10 5 EFBERN Cc1cc(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)ccn1 ZINC000416463463 477180478 /nfs/dbraw/zinc/18/04/78/477180478.db2.gz CMLRCNUWOHBPGZ-UHFFFAOYSA-N 0 0 335.385 2.740 10 5 EFBERN Cc1sc(S(=O)(=O)NCCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000416500065 477189622 /nfs/dbraw/zinc/18/96/22/477189622.db2.gz FJNBGGWVWDPPOL-UHFFFAOYSA-N 0 0 340.373 2.678 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(CCOCC3CC3)n2)c2c1NCCC2 ZINC000453242741 477195185 /nfs/dbraw/zinc/19/51/85/477195185.db2.gz WSOYNTJUKPPPCB-UHFFFAOYSA-N 0 0 344.371 2.972 10 5 EFBERN C[C@@H]1CCCC[C@]1(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416513160 477195953 /nfs/dbraw/zinc/19/59/53/477195953.db2.gz CEVVYCMQSSIQAX-DOMZBBRYSA-N 0 0 326.418 2.983 10 5 EFBERN CC(C)(C)c1noc(CCc2nc(-c3ccc([N+](=O)[O-])o3)no2)n1 ZINC000453249357 477198368 /nfs/dbraw/zinc/19/83/68/477198368.db2.gz MCCOCOJJJSVEQC-UHFFFAOYSA-N 0 0 333.304 2.704 10 5 EFBERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000411340609 477199473 /nfs/dbraw/zinc/19/94/73/477199473.db2.gz XVHHAOJBXKAOGQ-NSHDSACASA-N 0 0 341.314 2.536 10 5 EFBERN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cn1 ZINC000371265843 477206661 /nfs/dbraw/zinc/20/66/61/477206661.db2.gz FZAYXDDJVJTCGA-GFCCVEGCSA-N 0 0 344.346 2.528 10 5 EFBERN O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cn1 ZINC000371265844 477207086 /nfs/dbraw/zinc/20/70/86/477207086.db2.gz FZAYXDDJVJTCGA-LBPRGKRZSA-N 0 0 344.346 2.528 10 5 EFBERN Cc1nc(NCc2noc(-c3cccc(F)c3)n2)ccc1[N+](=O)[O-] ZINC000366837115 477213160 /nfs/dbraw/zinc/21/31/60/477213160.db2.gz RHAJTKRMGKUNDF-UHFFFAOYSA-N 0 0 329.291 2.521 10 5 EFBERN COc1ccc(NC(=O)N(CCO)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000432423804 477214377 /nfs/dbraw/zinc/21/43/77/477214377.db2.gz LEGIORAUYUTPOA-UHFFFAOYSA-N 0 0 349.343 2.531 10 5 EFBERN COc1cc(S(=O)(=O)NC2(C3CCC3)CCC2)ccc1[N+](=O)[O-] ZINC000416557112 477215069 /nfs/dbraw/zinc/21/50/69/477215069.db2.gz MYWKPNSYQQIHMN-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN CCC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000416558989 477215986 /nfs/dbraw/zinc/21/59/86/477215986.db2.gz NBSNVKPMGULHPE-HNNXBMFYSA-N 0 0 326.418 2.983 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CCC(C(F)F)CC2)c1 ZINC000416560250 477217740 /nfs/dbraw/zinc/21/77/40/477217740.db2.gz LJSRSVAJFGPRPJ-UHFFFAOYSA-N 0 0 348.371 2.838 10 5 EFBERN C[C@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000432461692 477221238 /nfs/dbraw/zinc/22/12/38/477221238.db2.gz FZXHPNWRGBBWEI-UFBFGSQYSA-N 0 0 332.278 2.768 10 5 EFBERN COC[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000453428653 477230448 /nfs/dbraw/zinc/23/04/48/477230448.db2.gz QGUPKEXKWCKXEV-ZDUSSCGKSA-N 0 0 345.403 2.643 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CCC(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000371317817 477238092 /nfs/dbraw/zinc/23/80/92/477238092.db2.gz DXVAYXVROBENQP-UHFFFAOYSA-N 0 0 343.387 2.685 10 5 EFBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000416627047 477242615 /nfs/dbraw/zinc/24/26/15/477242615.db2.gz DNJJGBASGAHXOX-UHFFFAOYSA-N 0 0 342.417 2.803 10 5 EFBERN Cc1cc(NC(=O)C(=O)N2CC3(CCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411460775 477243972 /nfs/dbraw/zinc/24/39/72/477243972.db2.gz HYLFLKPJJJTMPG-LBPRGKRZSA-N 0 0 331.372 2.633 10 5 EFBERN CCN(Cc1occc1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416638418 477245075 /nfs/dbraw/zinc/24/50/75/477245075.db2.gz WCRLAXGLOOSCIS-UHFFFAOYSA-N 0 0 338.385 2.848 10 5 EFBERN CC[C@@H](NCc1ccc(S(C)(=O)=O)o1)c1cccc([N+](=O)[O-])c1 ZINC000411481118 477251070 /nfs/dbraw/zinc/25/10/70/477251070.db2.gz ZFLSCYQZWIVKFR-CQSZACIVSA-N 0 0 338.385 2.832 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCS[C@@H](c4ccccc4)C3)nn21 ZINC000371339738 477255014 /nfs/dbraw/zinc/25/50/14/477255014.db2.gz VYRRQRAHZZWYCS-CYBMUJFWSA-N 0 0 341.396 2.932 10 5 EFBERN COCCN(Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])cc1C ZINC000453619490 477255910 /nfs/dbraw/zinc/25/59/10/477255910.db2.gz UKEUPNWDPGVTSI-UHFFFAOYSA-N 0 0 346.431 2.902 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(SC)c2)n1 ZINC000457917819 477256275 /nfs/dbraw/zinc/25/62/75/477256275.db2.gz VAIZPJKPKMTSRE-UHFFFAOYSA-N 0 0 336.373 2.794 10 5 EFBERN CCOC(=O)c1ccc(CN2CCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000411540874 477269842 /nfs/dbraw/zinc/26/98/42/477269842.db2.gz VSCRHNFPTPETFD-UHFFFAOYSA-N 0 0 327.340 2.729 10 5 EFBERN CN(Cc1ccc(F)c(Cl)c1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000432863276 477280668 /nfs/dbraw/zinc/28/06/68/477280668.db2.gz ACELVXBMEAEZRO-UHFFFAOYSA-N 0 0 338.726 2.518 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000416726827 477284259 /nfs/dbraw/zinc/28/42/59/477284259.db2.gz KNOZKCPSIMPDQY-OAHLLOKOSA-N 0 0 335.360 2.636 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N(C)C2CCN(c3cnccn3)CC2)n1 ZINC000432923430 477286042 /nfs/dbraw/zinc/28/60/42/477286042.db2.gz FWOSTMFLQZBYGV-UHFFFAOYSA-N 0 0 342.403 2.502 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000366995409 477290149 /nfs/dbraw/zinc/29/01/49/477290149.db2.gz KSFWIRJQPWGWPE-INIZCTEOSA-N 0 0 348.378 2.658 10 5 EFBERN Cc1ccc(NC(=O)C(=O)NC2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000411680745 477324684 /nfs/dbraw/zinc/32/46/84/477324684.db2.gz YOVQUFPFVSQTBA-UHFFFAOYSA-N 0 0 331.372 2.681 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(C2CCC2)CCC1 ZINC000411701408 477336548 /nfs/dbraw/zinc/33/65/48/477336548.db2.gz ZTMSIWPHRPFPMB-UHFFFAOYSA-N 0 0 345.399 2.935 10 5 EFBERN COc1cccc(C(=O)N[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000435667072 477349763 /nfs/dbraw/zinc/34/97/63/477349763.db2.gz GFGRTLIYASGTLH-AWEZNQCLSA-N 0 0 326.352 2.891 10 5 EFBERN CCCc1ncc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC000454736233 477354047 /nfs/dbraw/zinc/35/40/47/477354047.db2.gz YUYKCGPUSBSWQR-UHFFFAOYSA-N 0 0 332.360 2.577 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@]2(C1)CCCOC2 ZINC000376486087 477356969 /nfs/dbraw/zinc/35/69/69/477356969.db2.gz GNRXOZFZHHPDGN-CYBMUJFWSA-N 0 0 342.193 2.759 10 5 EFBERN CCOC(=O)c1cc(N2CC[C@@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000376484610 477357745 /nfs/dbraw/zinc/35/77/45/477357745.db2.gz AERACCZZXQQBLE-QGZVFWFLSA-N 0 0 334.372 2.778 10 5 EFBERN C[C@@H](CC(F)(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000411760038 477357945 /nfs/dbraw/zinc/35/79/45/477357945.db2.gz RDWBOZZVUGONJG-QMMMGPOBSA-N 0 0 342.277 2.934 10 5 EFBERN C[C@@H]1[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)[C@H]1c1ccccc1 ZINC000435801181 477373093 /nfs/dbraw/zinc/37/30/93/477373093.db2.gz SVZNJZLIVSYYHM-JBBXEZCESA-N 0 0 337.379 2.924 10 5 EFBERN COc1cc(CC2CN(c3cc(N)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000367172913 477375569 /nfs/dbraw/zinc/37/55/69/477375569.db2.gz OKQKRGHESJWSIH-UHFFFAOYSA-N 0 0 343.383 2.873 10 5 EFBERN COC[C@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000435812296 477376004 /nfs/dbraw/zinc/37/60/04/477376004.db2.gz WAVMLASWJVXJTK-AWEZNQCLSA-N 0 0 348.330 2.860 10 5 EFBERN O=C(CCN1CC2CC1(C(F)(F)F)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411827780 477384331 /nfs/dbraw/zinc/38/43/31/477384331.db2.gz ZJMQXWAMBGWXCI-UHFFFAOYSA-N 0 0 343.305 2.950 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000371561057 477386904 /nfs/dbraw/zinc/38/69/04/477386904.db2.gz HFNZVYWSEVNSAJ-HNNXBMFYSA-N 0 0 337.339 2.541 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCO[C@H](C4CCC4)C3)n2)c1 ZINC000411838240 477388416 /nfs/dbraw/zinc/38/84/16/477388416.db2.gz BBAVRKFLCDBZMI-HNNXBMFYSA-N 0 0 344.371 2.646 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C)(C)C[C@H]1C ZINC000411842332 477390602 /nfs/dbraw/zinc/39/06/02/477390602.db2.gz IRWLCSKYEVFBSN-LLVKDONJSA-N 0 0 333.388 2.743 10 5 EFBERN C[C@H]1CC(C)(C)CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411843375 477390621 /nfs/dbraw/zinc/39/06/21/477390621.db2.gz HYDAUDHQJYWDNZ-VIFPVBQESA-N 0 0 339.779 2.834 10 5 EFBERN Cc1nc([C@@H]2CCCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000371592093 477401454 /nfs/dbraw/zinc/40/14/54/477401454.db2.gz HDMMJFJRNIGPBN-HNNXBMFYSA-N 0 0 344.371 2.973 10 5 EFBERN CCOC1(C)CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000458416132 477404724 /nfs/dbraw/zinc/40/47/24/477404724.db2.gz IGCNWEADBFFOLZ-UHFFFAOYSA-N 0 0 335.404 2.738 10 5 EFBERN COc1cccc(C(=O)NCc2nc3c(cccc3C)[nH]2)c1[N+](=O)[O-] ZINC000436042747 477411088 /nfs/dbraw/zinc/41/10/88/477411088.db2.gz PBRIMVZKPATTJP-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN CC(C)(C)Oc1cc(NCCc2nnc3n2CCC3)ccc1[N+](=O)[O-] ZINC000436197750 477439245 /nfs/dbraw/zinc/43/92/45/477439245.db2.gz LKPWNUVVOPGYPD-UHFFFAOYSA-N 0 0 345.403 2.964 10 5 EFBERN Cc1sc2nc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)nc(N)c2c1C ZINC000436207384 477441427 /nfs/dbraw/zinc/44/14/27/477441427.db2.gz GWQYRHNBJZZNNJ-UHFFFAOYSA-N 0 0 344.400 2.921 10 5 EFBERN Cc1ccccc1Cc1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)no1 ZINC000436206438 477441542 /nfs/dbraw/zinc/44/15/42/477441542.db2.gz VKVHMDXMXLSJAH-UHFFFAOYSA-N 0 0 339.355 2.999 10 5 EFBERN C[C@@H]1Cc2cccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2O1 ZINC000449107934 477441848 /nfs/dbraw/zinc/44/18/48/477441848.db2.gz PFAMQCFSJDOKDO-GFCCVEGCSA-N 0 0 341.367 2.760 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2cccc(F)c2C1 ZINC000367315251 477450039 /nfs/dbraw/zinc/45/00/39/477450039.db2.gz OKVAMBKMSDAZOJ-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](C)c1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000458496455 477450606 /nfs/dbraw/zinc/45/06/06/477450606.db2.gz IAVHAMWWDZRDPM-BXUZGUMPSA-N 0 0 331.376 2.840 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(O)c(OC)c1 ZINC000436257225 477451649 /nfs/dbraw/zinc/45/16/49/477451649.db2.gz CTFAJZIDRVGPEG-UHFFFAOYSA-N 0 0 333.300 2.962 10 5 EFBERN CCn1nncc1COc1c(Br)cccc1[N+](=O)[O-] ZINC000413002268 477469237 /nfs/dbraw/zinc/46/92/37/477469237.db2.gz RENARINBIQVSQQ-UHFFFAOYSA-N 0 0 327.138 2.548 10 5 EFBERN COC(=O)c1cccc(OCCCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000413012343 477471317 /nfs/dbraw/zinc/47/13/17/477471317.db2.gz DWZQRTHFBWHMIE-UHFFFAOYSA-N 0 0 339.344 2.882 10 5 EFBERN COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1O ZINC000436379699 477471498 /nfs/dbraw/zinc/47/14/98/477471498.db2.gz RMEXPVQUBUOGIU-UHFFFAOYSA-N 0 0 333.300 2.962 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000371787973 477496120 /nfs/dbraw/zinc/49/61/20/477496120.db2.gz HCCABEPMGUVKQM-MRXNPFEDSA-N 0 0 333.388 2.720 10 5 EFBERN COc1ccc(NC(=O)N2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000455105677 477501239 /nfs/dbraw/zinc/50/12/39/477501239.db2.gz QYNNDJAKBOQWKG-INIZCTEOSA-N 0 0 335.360 2.638 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(CSC[C@H]3COCCO3)co2)cc1 ZINC000419434824 477510287 /nfs/dbraw/zinc/51/02/87/477510287.db2.gz JTXSCXZTTJFCCV-CQSZACIVSA-N 0 0 336.369 2.898 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000371871346 477536218 /nfs/dbraw/zinc/53/62/18/477536218.db2.gz ZFAYPQZJVAPFIJ-LLVKDONJSA-N 0 0 346.774 2.855 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCC(=O)C1CCC(F)(F)CC1 ZINC000424877431 477551566 /nfs/dbraw/zinc/55/15/66/477551566.db2.gz IZISNDMJKPOQHF-UHFFFAOYSA-N 0 0 340.326 2.648 10 5 EFBERN CC(C)N1C(=O)CN(c2nccc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000413171543 477552954 /nfs/dbraw/zinc/55/29/54/477552954.db2.gz QGUDJFABPKMEJY-UHFFFAOYSA-N 0 0 342.399 2.979 10 5 EFBERN Cc1coc(-c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)n1 ZINC000367556301 477572208 /nfs/dbraw/zinc/57/22/08/477572208.db2.gz HKBWNHNDRKQLJC-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@]12CCCO2 ZINC000371957929 477574365 /nfs/dbraw/zinc/57/43/65/477574365.db2.gz BPWKAOAYQSNBPM-OUCADQQQSA-N 0 0 327.768 2.782 10 5 EFBERN CC1(C)Cc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])c(O)c2O1 ZINC000436778001 477586595 /nfs/dbraw/zinc/58/65/95/477586595.db2.gz PBYXZBJVBDRJFT-UHFFFAOYSA-N 0 0 342.351 2.944 10 5 EFBERN COC(=O)c1cnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000424990171 477587021 /nfs/dbraw/zinc/58/70/21/477587021.db2.gz CVTTUOGFSLLUON-SECBINFHSA-N 0 0 349.368 2.637 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC000425012255 477599532 /nfs/dbraw/zinc/59/95/32/477599532.db2.gz RNWSEIGHUXBPLS-BLLLJJGKSA-N 0 0 332.335 2.638 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC000425010531 477599749 /nfs/dbraw/zinc/59/97/49/477599749.db2.gz QNOJYPANKYHIIT-BDJLRTHQSA-N 0 0 332.335 2.808 10 5 EFBERN Cc1nc(N2CC3(CCOCC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC000450476633 477600462 /nfs/dbraw/zinc/60/04/62/477600462.db2.gz QJZOFPVZPCTNAG-UHFFFAOYSA-N 0 0 326.356 2.893 10 5 EFBERN CO[C@H](CCNc1nccc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC000450476045 477600576 /nfs/dbraw/zinc/60/05/76/477600576.db2.gz MOXYBSKMBNHOMS-GFCCVEGCSA-N 0 0 329.278 2.944 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](CO)[C@@H]1CC ZINC000455362772 477604172 /nfs/dbraw/zinc/60/41/72/477604172.db2.gz SAKGYLQEWWIOGA-RISCZKNCSA-N 0 0 337.376 2.618 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@@](CO)(c3ccccc3)C2)c(F)c1 ZINC000413276425 477606114 /nfs/dbraw/zinc/60/61/14/477606114.db2.gz CFKNYGDAJYGSIN-QGZVFWFLSA-N 0 0 331.347 2.659 10 5 EFBERN O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367632927 477611901 /nfs/dbraw/zinc/61/19/01/477611901.db2.gz FYCJQFYBISGHAN-CQSZACIVSA-N 0 0 347.415 2.827 10 5 EFBERN O=C(Nc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000450512399 477613810 /nfs/dbraw/zinc/61/38/10/477613810.db2.gz SPGUGZPPHJCRNB-AWEZNQCLSA-N 0 0 327.344 2.708 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCCN(c3ccccc3F)CC2)c(F)c1 ZINC000413291309 477614163 /nfs/dbraw/zinc/61/41/63/477614163.db2.gz KDTZDUJUSMEZOW-UHFFFAOYSA-N 0 0 334.326 2.985 10 5 EFBERN COC[C@H]1CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455395696 477616888 /nfs/dbraw/zinc/61/68/88/477616888.db2.gz BWEWXEZDLMPENV-SNVBAGLBSA-N 0 0 344.165 2.610 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)NCc2ccc(=O)[nH]n2)cc1[N+](=O)[O-] ZINC000455401824 477620155 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C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1nccn1-c1ccccc1 ZINC000377104551 477647011 /nfs/dbraw/zinc/64/70/11/477647011.db2.gz MJQIKIINLBONAE-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@H]1CCC[C@H](F)C1 ZINC000425157032 477652682 /nfs/dbraw/zinc/65/26/82/477652682.db2.gz NRGHKONJDIQGTM-RYUDHWBXSA-N 0 0 332.335 2.874 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c2ccncc21 ZINC000450654279 477670720 /nfs/dbraw/zinc/67/07/20/477670720.db2.gz VFFGWKOVOPCFHK-VFVRVIDISA-N 0 0 343.383 2.509 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c2ccncc21 ZINC000450654276 477670779 /nfs/dbraw/zinc/67/07/79/477670779.db2.gz VFFGWKOVOPCFHK-JCGVRSQUSA-N 0 0 343.383 2.509 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)ccc2c1 ZINC000450653147 477670854 /nfs/dbraw/zinc/67/08/54/477670854.db2.gz SAOOYWWQXROIPF-UNEWFSDZSA-N 0 0 343.383 2.509 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)n1 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EFBERN CCOC(=O)c1ccnc(NCC2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000426891263 477757258 /nfs/dbraw/zinc/75/72/58/477757258.db2.gz OBXGIDGCPIKHBJ-UHFFFAOYSA-N 0 0 337.376 2.784 10 5 EFBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCN1CCCc1ccccc1 ZINC000426907324 477758580 /nfs/dbraw/zinc/75/85/80/477758580.db2.gz PICPUNBWPMXFLG-INIZCTEOSA-N 0 0 340.383 2.635 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000367937570 477762293 /nfs/dbraw/zinc/76/22/93/477762293.db2.gz DIOSBBDCIRNFTI-ZDUSSCGKSA-N 0 0 341.371 2.668 10 5 EFBERN O=C(Cc1cccc(C2CC2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000413668719 477772699 /nfs/dbraw/zinc/77/26/99/477772699.db2.gz LMPZTEAEQPKQFJ-UHFFFAOYSA-N 0 0 337.379 2.995 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](C3CCCC3)C2)c1 ZINC000420727679 477773668 /nfs/dbraw/zinc/77/36/68/477773668.db2.gz GZNTUVQGHAZKEO-OAHLLOKOSA-N 0 0 338.429 2.937 10 5 EFBERN Cc1nnc(N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000427727767 477777827 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ZINC000600542192 478406666 /nfs/dbraw/zinc/40/66/66/478406666.db2.gz ZFYYNTSFQKWKOG-WMLDXEAASA-N 0 0 346.383 2.680 10 5 EFBERN COC(=O)[C@](C)(NC(=O)C[C@H]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600541183 478406768 /nfs/dbraw/zinc/40/67/68/478406768.db2.gz OUBYVSSNUNKXBT-ZJNRKIDTSA-N 0 0 348.399 2.926 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594485668 478407120 /nfs/dbraw/zinc/40/71/20/478407120.db2.gz BJKFNMLUQRLOMG-TZMCWYRMSA-N 0 0 342.417 2.529 10 5 EFBERN CC[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594488182 478407234 /nfs/dbraw/zinc/40/72/34/478407234.db2.gz QBTCVNMJMIARGD-JSGCOSHPSA-N 0 0 342.417 2.529 10 5 EFBERN COC(=O)[C@](C)(NC(=O)c1cc(C)c(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000600540456 478407301 /nfs/dbraw/zinc/40/73/01/478407301.db2.gz IPCKGGVLUWYVIS-QGZVFWFLSA-N 0 0 346.339 2.623 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H]2CCC[C@H]21 ZINC000600543291 478407511 /nfs/dbraw/zinc/40/75/11/478407511.db2.gz HMJVVCFRANOEQN-SQWLQELKSA-N 0 0 346.383 2.707 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2CC2CCCC2)nc1 ZINC000594489094 478408630 /nfs/dbraw/zinc/40/86/30/478408630.db2.gz SAMMSPOGZYASBS-CYBMUJFWSA-N 0 0 339.417 2.723 10 5 EFBERN Cc1c(CNC(=O)[C@@H](NCC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000597555478 478408779 /nfs/dbraw/zinc/40/87/79/478408779.db2.gz NUSFDCZCTCURNM-ZDUSSCGKSA-N 0 0 347.337 2.696 10 5 EFBERN COc1cc(CCO)cc(OCCOc2ccccc2[N+](=O)[O-])c1 ZINC000594490662 478409249 /nfs/dbraw/zinc/40/92/49/478409249.db2.gz OVJONIYPTNEYEY-UHFFFAOYSA-N 0 0 333.340 2.596 10 5 EFBERN CCCN(CC(F)(F)F)C(=O)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000600547034 478410311 /nfs/dbraw/zinc/41/03/11/478410311.db2.gz GTRFFZVTFKHGAL-UHFFFAOYSA-N 0 0 349.309 2.786 10 5 EFBERN CCn1c2ccc(C)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000539411250 478415030 /nfs/dbraw/zinc/41/50/30/478415030.db2.gz GBUSCNKFMDTQSN-UHFFFAOYSA-N 0 0 325.328 2.920 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000597576375 478417797 /nfs/dbraw/zinc/41/77/97/478417797.db2.gz BUTSQSQFBGEGCP-KGLIPLIRSA-N 0 0 347.346 2.599 10 5 EFBERN CCc1ccc([C@H](NC[C@@](C)(CO)OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594511773 478419097 /nfs/dbraw/zinc/41/90/97/478419097.db2.gz OOCRQAFSQHXIGA-MSOLQXFVSA-N 0 0 348.399 2.827 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)[C@H]2CCC[C@@H]21 ZINC000600562983 478420036 /nfs/dbraw/zinc/42/00/36/478420036.db2.gz UASZMUCSQOJLGI-FMKPAKJESA-N 0 0 346.383 2.707 10 5 EFBERN CC(C)(C(=O)N1CC[C@H](N2CCC2)[C@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000597581820 478420427 /nfs/dbraw/zinc/42/04/27/478420427.db2.gz RKDYZJKWBVLYRH-CVEARBPZSA-N 0 0 349.406 2.517 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ccn1CCOCC(F)(F)C(F)F ZINC000570682372 478420916 /nfs/dbraw/zinc/42/09/16/478420916.db2.gz CEHKOPAZADYKTB-UHFFFAOYSA-N 0 0 348.252 2.827 10 5 EFBERN CS(=O)(=O)CCCCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600568698 478423380 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COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)C2CCCCC2)CC1 ZINC000594547122 478432006 /nfs/dbraw/zinc/43/20/06/478432006.db2.gz BNZRXFXMJZGSEW-UHFFFAOYSA-N 0 0 347.415 2.832 10 5 EFBERN O=C(CCN1CCOC[C@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014519 478432555 /nfs/dbraw/zinc/43/25/55/478432555.db2.gz FFEGKSSBAVRWAZ-HNNXBMFYSA-N 0 0 345.355 2.590 10 5 EFBERN O=C(CCN1CCOC[C@@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014520 478432838 /nfs/dbraw/zinc/43/28/38/478432838.db2.gz FFEGKSSBAVRWAZ-OAHLLOKOSA-N 0 0 345.355 2.590 10 5 EFBERN CCc1ccc(OCC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000539782557 478434276 /nfs/dbraw/zinc/43/42/76/478434276.db2.gz QHGJJQMHDFCZNX-UHFFFAOYSA-N 0 0 341.367 2.516 10 5 EFBERN CO[C@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000597631172 478441397 /nfs/dbraw/zinc/44/13/97/478441397.db2.gz ISIZWLXJIZYJTE-NHYWBVRUSA-N 0 0 336.388 2.882 10 5 EFBERN Cn1cc(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nn1 ZINC000597633381 478442949 /nfs/dbraw/zinc/44/29/49/478442949.db2.gz YFQBLAWHZWCYIS-UHFFFAOYSA-N 0 0 331.376 2.592 10 5 EFBERN COc1c(C)ncnc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594576231 478444588 /nfs/dbraw/zinc/44/45/88/478444588.db2.gz XZWYBXYJOHQGSC-UHFFFAOYSA-N 0 0 342.277 2.755 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NC(C)(C)C(C)(F)F)c1[N+](=O)[O-] ZINC000594577961 478445763 /nfs/dbraw/zinc/44/57/63/478445763.db2.gz VLTRMPLNCOHZBH-UHFFFAOYSA-N 0 0 336.360 2.924 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1NC(=O)CC12CCCCC2 ZINC000597648571 478446118 /nfs/dbraw/zinc/44/61/18/478446118.db2.gz GPLBYRLPSFEECG-LSDHHAIUSA-N 0 0 343.383 2.665 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1NC(=O)CC12CCCCC2 ZINC000597648569 478446327 /nfs/dbraw/zinc/44/63/27/478446327.db2.gz GMJCWVQQUFPDLR-UHFFFAOYSA-N 0 0 331.372 2.792 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000594582846 478448459 /nfs/dbraw/zinc/44/84/59/478448459.db2.gz KWJWMAHIZNWEQX-NSHDSACASA-N 0 0 347.337 2.924 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000581835039 478448803 /nfs/dbraw/zinc/44/88/03/478448803.db2.gz KNUNHMQKXATTRE-HZSPNIEDSA-N 0 0 333.388 2.662 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@H](C(F)F)C2)c(F)c1N1CCOCC1 ZINC000594585029 478449345 /nfs/dbraw/zinc/44/93/45/478449345.db2.gz OADOMEGQNZFHLF-SNVBAGLBSA-N 0 0 345.321 2.662 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NC[C@@]1(CO)CCc2ccccc21 ZINC000594586073 478449359 /nfs/dbraw/zinc/44/93/59/478449359.db2.gz LKNJRNACLJUVSN-GOSISDBHSA-N 0 0 328.368 2.892 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594589151 478450286 /nfs/dbraw/zinc/45/02/86/478450286.db2.gz CHPIGBMMBLZFQJ-CVEARBPZSA-N 0 0 333.388 2.714 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C2CC2)[C@H]2CCCCO2)n1 ZINC000594589081 478450356 /nfs/dbraw/zinc/45/03/56/478450356.db2.gz BPKOABBHZFMNBU-KGLIPLIRSA-N 0 0 335.360 2.536 10 5 EFBERN COCC1(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000594591300 478451677 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O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCC4(CCCC4)O3)c2c1 ZINC000594601026 478461426 /nfs/dbraw/zinc/46/14/26/478461426.db2.gz SJYRTIKKRWIERH-ZDUSSCGKSA-N 0 0 328.372 2.864 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000600673267 478461812 /nfs/dbraw/zinc/46/18/12/478461812.db2.gz BBGPVKNQBQMBBC-SOUVJXGZSA-N 0 0 334.372 2.679 10 5 EFBERN COc1ccc(CC(=O)NCc2oc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000597685132 478461954 /nfs/dbraw/zinc/46/19/54/478461954.db2.gz RTJXAXAZKPTLPJ-UHFFFAOYSA-N 0 0 347.371 2.882 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](CC)[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594603872 478462732 /nfs/dbraw/zinc/46/27/32/478462732.db2.gz WGNQPAPAMWRNDH-OLZOCXBDSA-N 0 0 337.376 2.926 10 5 EFBERN CON1CCC(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000597688809 478464979 /nfs/dbraw/zinc/46/49/79/478464979.db2.gz NEXHGMITIJLBLF-UHFFFAOYSA-N 0 0 335.404 2.610 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCN(c2ccccc2O)CC1 ZINC000570884564 478467244 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O=C([O-])[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000594733882 478520962 /nfs/dbraw/zinc/52/09/62/478520962.db2.gz JIRFPJMWXBPMMT-BBWFWOEESA-N 0 0 348.399 2.939 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000571113655 478523779 /nfs/dbraw/zinc/52/37/79/478523779.db2.gz YNUQSSPKGVKKRA-CQSZACIVSA-N 0 0 342.355 2.821 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(N3CCSCC3)nc2)c1 ZINC000600790990 478523967 /nfs/dbraw/zinc/52/39/67/478523967.db2.gz CLISWGJSMFXQQH-UHFFFAOYSA-N 0 0 345.424 2.745 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2cccc(CN3CCOCC3)c2)c1 ZINC000600793389 478524099 /nfs/dbraw/zinc/52/40/99/478524099.db2.gz NRISAFFBNXUZEF-UHFFFAOYSA-N 0 0 342.395 2.629 10 5 EFBERN C[C@]1(CCF)NC(=O)N(CCCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000594739920 478524137 /nfs/dbraw/zinc/52/41/37/478524137.db2.gz SNEYZPHZOYORRH-MRXNPFEDSA-N 0 0 337.351 2.588 10 5 EFBERN COC(=O)[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000571132834 478525200 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CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594753982 478531635 /nfs/dbraw/zinc/53/16/35/478531635.db2.gz NLMCRVHMJKOVMG-GFCCVEGCSA-N 0 0 341.433 2.827 10 5 EFBERN CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594757471 478532996 /nfs/dbraw/zinc/53/29/96/478532996.db2.gz CBXHUSRKWZRWHG-GFCCVEGCSA-N 0 0 349.412 2.810 10 5 EFBERN CC1(C)CCCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758104 478533305 /nfs/dbraw/zinc/53/33/05/478533305.db2.gz AMLGZJWKPRDGHS-UHFFFAOYSA-N 0 0 335.385 2.706 10 5 EFBERN CC[C@@H](Cc1ccccc1)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760672 478534742 /nfs/dbraw/zinc/53/47/42/478534742.db2.gz VLPAGYJWZCKTMR-AWEZNQCLSA-N 0 0 349.412 2.632 10 5 EFBERN CC[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594767846 478535478 /nfs/dbraw/zinc/53/54/78/478535478.db2.gz RUTJQIHCRGGQSU-CQSZACIVSA-N 0 0 347.396 2.515 10 5 EFBERN CC(C)(CO)[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccs1 ZINC000597844347 478536167 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EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CCCC3)CC2)nc1 ZINC000594814116 478548667 /nfs/dbraw/zinc/54/86/67/478548667.db2.gz SXYDUSKHGPZUKQ-UHFFFAOYSA-N 0 0 339.417 2.725 10 5 EFBERN COC1CC(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597862023 478548698 /nfs/dbraw/zinc/54/86/98/478548698.db2.gz OZBLVGQMTCTOIQ-UHFFFAOYSA-N 0 0 326.780 2.722 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000597865258 478549620 /nfs/dbraw/zinc/54/96/20/478549620.db2.gz QXMSTSSHNOQKLY-LBPRGKRZSA-N 0 0 329.356 2.922 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)CCc2ccccc2)c1 ZINC000541324269 478549922 /nfs/dbraw/zinc/54/99/22/478549922.db2.gz CIWLPDDJXJZPNV-HNNXBMFYSA-N 0 0 344.367 2.787 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2cncc3c2CCCC3)c1[N+](=O)[O-] ZINC000597868530 478552327 /nfs/dbraw/zinc/55/23/27/478552327.db2.gz AASDWHFHNPQRKX-UHFFFAOYSA-N 0 0 329.360 2.967 10 5 EFBERN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597885853 478559346 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EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000601118304 478667701 /nfs/dbraw/zinc/66/77/01/478667701.db2.gz CHHLWUZMMOLOON-GTNGPMTGSA-N 0 0 334.298 2.573 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563937120 478668051 /nfs/dbraw/zinc/66/80/51/478668051.db2.gz XXACIFMHRQNWAD-STQMWFEESA-N 0 0 340.335 2.857 10 5 EFBERN Cc1noc(C)c1C[C@@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601122133 478669547 /nfs/dbraw/zinc/66/95/47/478669547.db2.gz RRUHXZDWGBNBEM-ZCFIWIBFSA-N 0 0 347.297 2.995 10 5 EFBERN CC[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CCOCC1 ZINC000601123811 478672278 /nfs/dbraw/zinc/67/22/78/478672278.db2.gz KPCZNOQHBDDSEL-VIFPVBQESA-N 0 0 336.314 2.964 10 5 EFBERN O=C(NCCc1cscn1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601126529 478673256 /nfs/dbraw/zinc/67/32/56/478673256.db2.gz SNCYFGFYCIAIDF-UHFFFAOYSA-N 0 0 331.397 2.832 10 5 EFBERN CCC[C@H](C)[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000563959465 478675223 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CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000595168283 478681041 /nfs/dbraw/zinc/68/10/41/478681041.db2.gz VMEWNWMFKJOZJU-IPYPFGDCSA-N 0 0 345.399 2.648 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([C@H]2CCOC2)CC1 ZINC000601142142 478682917 /nfs/dbraw/zinc/68/29/17/478682917.db2.gz VZASEFUPZLDITL-JTQLQIEISA-N 0 0 348.325 2.600 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Oc1cccc2c1OCCO2 ZINC000601142608 478684330 /nfs/dbraw/zinc/68/43/30/478684330.db2.gz WFARIZPKWWQLNR-UHFFFAOYSA-N 0 0 345.233 2.911 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CNCc1c(Br)cnn1C ZINC000601145016 478686153 /nfs/dbraw/zinc/68/61/53/478686153.db2.gz YYHGXVIYEIQZJK-UHFFFAOYSA-N 0 0 339.193 2.689 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000598165462 478686377 /nfs/dbraw/zinc/68/63/77/478686377.db2.gz XRPWEKSTPXABKL-BZUAXINKSA-N 0 0 346.383 2.789 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000595196015 478686656 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C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000598178059 478692183 /nfs/dbraw/zinc/69/21/83/478692183.db2.gz OCMMWOFYFGRYDL-SRVKXCTJSA-N 0 0 338.429 2.551 10 5 EFBERN Cc1ccc(CN2CC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000601153045 478692429 /nfs/dbraw/zinc/69/24/29/478692429.db2.gz UFGPTBFXJFJWHH-AWEZNQCLSA-N 0 0 344.346 2.650 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000601153396 478693587 /nfs/dbraw/zinc/69/35/87/478693587.db2.gz YDWIFIKNJXOFOQ-JTQLQIEISA-N 0 0 341.289 2.670 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000601154952 478694004 /nfs/dbraw/zinc/69/40/04/478694004.db2.gz BSMHICXAKHGBHV-CZUORRHYSA-N 0 0 335.310 2.846 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000598187108 478696318 /nfs/dbraw/zinc/69/63/18/478696318.db2.gz PMIXXMKZVLLBBN-GOSISDBHSA-N 0 0 332.400 2.897 10 5 EFBERN Cc1ccncc1CN(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601158240 478696657 /nfs/dbraw/zinc/69/66/57/478696657.db2.gz PQQGOJUDIHNNQU-UHFFFAOYSA-N 0 0 329.282 2.687 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(C3CC3)C2)c1 ZINC000598189366 478696920 /nfs/dbraw/zinc/69/69/20/478696920.db2.gz YXJBAJRVUCQIQQ-INIZCTEOSA-N 0 0 336.413 2.694 10 5 EFBERN CC(C)(C(=O)N1CCC[C@@](O)(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598189291 478696987 /nfs/dbraw/zinc/69/69/87/478696987.db2.gz ZZGKSDDCBIEHMG-SFHVURJKSA-N 0 0 332.400 2.636 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@](O)(C2CC2)C1 ZINC000598189340 478697052 /nfs/dbraw/zinc/69/70/52/478697052.db2.gz YIQILYOOLHMSSF-QGZVFWFLSA-N 0 0 330.340 2.718 10 5 EFBERN CC(C)Oc1cc(C(=O)N2CCC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000598188078 478697154 /nfs/dbraw/zinc/69/71/54/478697154.db2.gz UMVCZHIAERLLII-SFHVURJKSA-N 0 0 348.399 2.759 10 5 EFBERN CC(C)(C(=O)N1CCC[C@](O)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598188040 478697506 /nfs/dbraw/zinc/69/75/06/478697506.db2.gz SRSNHTABKMFYLS-GOSISDBHSA-N 0 0 332.400 2.636 10 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/nfs/dbraw/zinc/70/32/96/478703296.db2.gz PDPSKNSAIVNQDC-UHFFFAOYSA-N 0 0 336.314 2.966 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000601171283 478703561 /nfs/dbraw/zinc/70/35/61/478703561.db2.gz KYSNMQVAAUVBPW-YCWTYVPXSA-N 0 0 342.321 2.996 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000601171913 478704431 /nfs/dbraw/zinc/70/44/31/478704431.db2.gz RMJSPWPYWIEFGF-BNOWGMLFSA-N 0 0 349.366 2.935 10 5 EFBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000598206963 478704430 /nfs/dbraw/zinc/70/44/30/478704430.db2.gz BYLCXYPSUUSEEI-IGCXYCKISA-N 0 0 340.383 2.947 10 5 EFBERN CO[C@@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1(C)C ZINC000601171596 478705042 /nfs/dbraw/zinc/70/50/42/478705042.db2.gz OZHUJFMUWWUSGK-MRVPVSSYSA-N 0 0 336.314 2.598 10 5 EFBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598209166 478705070 /nfs/dbraw/zinc/70/50/70/478705070.db2.gz RWODRGCTCIFURN-WOPDTQHZSA-N 0 0 332.356 2.532 10 5 EFBERN C[C@@H]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000598210795 478706027 /nfs/dbraw/zinc/70/60/27/478706027.db2.gz CKIMUMZZQMEHMX-MFKMUULPSA-N 0 0 326.780 2.865 10 5 EFBERN C[C@H]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000598210793 478706138 /nfs/dbraw/zinc/70/61/38/478706138.db2.gz CKIMUMZZQMEHMX-GXFFZTMASA-N 0 0 326.780 2.865 10 5 EFBERN C[C@@H]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)O1 ZINC000598211487 478706574 /nfs/dbraw/zinc/70/65/74/478706574.db2.gz FRAOTFLFJQVZHT-CJNGLKHVSA-N 0 0 335.404 2.861 10 5 EFBERN C[C@H]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)O1 ZINC000598213430 478706958 /nfs/dbraw/zinc/70/69/58/478706958.db2.gz PLVNYMAMIBASNY-FZMZJTMJSA-N 0 0 333.388 2.857 10 5 EFBERN C[C@H]1CCC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)O1 ZINC000598213981 478706981 /nfs/dbraw/zinc/70/69/81/478706981.db2.gz RJIOZWMFKVUROX-SMDDNHRTSA-N 0 0 331.372 2.692 10 5 EFBERN 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478762274 /nfs/dbraw/zinc/76/22/74/478762274.db2.gz ACQGRRGSFUDBDX-VIFPVBQESA-N 0 0 336.360 2.781 10 5 EFBERN COc1c(C(=O)NCc2c(C3CCC3)cnn2C)cccc1[N+](=O)[O-] ZINC000598316158 478762685 /nfs/dbraw/zinc/76/26/85/478762685.db2.gz KZDGTMHYWKASAH-UHFFFAOYSA-N 0 0 344.371 2.534 10 5 EFBERN COc1cccc(C(=O)NCc2c(C3CCC3)cnn2C)c1[N+](=O)[O-] ZINC000598317178 478762892 /nfs/dbraw/zinc/76/28/92/478762892.db2.gz YIJAZSMFFUQRJN-UHFFFAOYSA-N 0 0 344.371 2.534 10 5 EFBERN CNc1c(C(=O)NCc2c(C3CCC3)cnn2C)cccc1[N+](=O)[O-] ZINC000598317161 478763004 /nfs/dbraw/zinc/76/30/04/478763004.db2.gz XOFWGUGWUNIVEG-UHFFFAOYSA-N 0 0 343.387 2.568 10 5 EFBERN CC[C@H](NC(=O)Cc1cnn2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601280954 478763275 /nfs/dbraw/zinc/76/32/75/478763275.db2.gz JVUBYYKJDLHDHU-INIZCTEOSA-N 0 0 342.399 2.938 10 5 EFBERN COc1ccccc1C1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592070636 478763595 /nfs/dbraw/zinc/76/35/95/478763595.db2.gz SNWHZEKDLRWFKO-UHFFFAOYSA-N 0 0 348.380 2.571 10 5 EFBERN COc1ccccc1C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592070611 478763855 /nfs/dbraw/zinc/76/38/55/478763855.db2.gz RWDCXYVKZVCJLP-UHFFFAOYSA-N 0 0 348.380 2.571 10 5 EFBERN Cc1noc(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1[N+](=O)[O-] ZINC000595407683 478764565 /nfs/dbraw/zinc/76/45/65/478764565.db2.gz FKYAWMTVLNJMME-CQSZACIVSA-N 0 0 335.335 2.912 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(C)(CC(F)F)C2)c1C ZINC000592074593 478765389 /nfs/dbraw/zinc/76/53/89/478765389.db2.gz NWNPEMCVHLOGPZ-UHFFFAOYSA-N 0 0 348.371 2.877 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(C)(CC(F)F)C1 ZINC000592075115 478765534 /nfs/dbraw/zinc/76/55/34/478765534.db2.gz WQIAGBHACXOGHM-UHFFFAOYSA-N 0 0 334.344 2.569 10 5 EFBERN Cc1c(C(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000598322633 478766358 /nfs/dbraw/zinc/76/63/58/478766358.db2.gz NBOIVQHCKACMBP-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)Cc2ccsc2)c([N+](=O)[O-])s1 ZINC000601290732 478767164 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EFBERN CC(C)[C@H](O)[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000598347232 478780212 /nfs/dbraw/zinc/78/02/12/478780212.db2.gz APCQUQINEXGSFR-SJORKVTESA-N 0 0 343.383 2.665 10 5 EFBERN CNc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598353597 478783156 /nfs/dbraw/zinc/78/31/56/478783156.db2.gz QFGLIDJNFRKJMA-LBPRGKRZSA-N 0 0 333.388 2.810 10 5 EFBERN COc1ccc(CC(=O)N2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598355960 478785183 /nfs/dbraw/zinc/78/51/83/478785183.db2.gz XUXOQWDKGAUYHE-CYBMUJFWSA-N 0 0 348.399 2.706 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598355593 478785292 /nfs/dbraw/zinc/78/52/92/478785292.db2.gz WRJWFPRBLIFWQA-AWEZNQCLSA-N 0 0 347.415 2.957 10 5 EFBERN CCC(CC)[C@H](O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601320849 478785575 /nfs/dbraw/zinc/78/55/75/478785575.db2.gz DUOKOJWOHWJZIO-MRXNPFEDSA-N 0 0 334.416 2.930 10 5 EFBERN COc1ccc2c(c1)N(C(=O)CNc1ccccc1[N+](=O)[O-])CCC2 ZINC000598363103 478787944 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C[C@@H]1[C@@H](C)N(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000601402780 478819990 /nfs/dbraw/zinc/81/99/90/478819990.db2.gz WCLAPABXTVZSMB-ZIAGYGMSSA-N 0 0 331.416 2.568 10 5 EFBERN CCc1ccc(F)cc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000601409027 478823665 /nfs/dbraw/zinc/82/36/65/478823665.db2.gz HGPVNNVZIRXJBS-UHFFFAOYSA-N 0 0 329.331 2.890 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2CCc3nccnc3C2)cc1[N+](=O)[O-] ZINC000598440922 478825375 /nfs/dbraw/zinc/82/53/75/478825375.db2.gz KEYHYBYXRJAXTR-UHFFFAOYSA-N 0 0 340.383 2.881 10 5 EFBERN C[C@@H]1C[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601414242 478825859 /nfs/dbraw/zinc/82/58/59/478825859.db2.gz UPVLRTXRXJNMFR-BREBYQMCSA-N 0 0 326.780 2.720 10 5 EFBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCCOC1 ZINC000601417761 478827380 /nfs/dbraw/zinc/82/73/80/478827380.db2.gz CEMCNWKGBYUOLQ-KGLIPLIRSA-N 0 0 332.400 2.948 10 5 EFBERN CC(C)(C)OCCS(=O)(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000601419048 478827655 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0 0 342.326 2.567 10 5 EFBERN CCCCC[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000598461507 478836190 /nfs/dbraw/zinc/83/61/90/478836190.db2.gz RUQRPBSLBWMWMY-CQSZACIVSA-N 0 0 335.404 2.718 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCc2c(C)cccc21 ZINC000598471323 478841248 /nfs/dbraw/zinc/84/12/48/478841248.db2.gz CESYBROHCSBOLX-OAHLLOKOSA-N 0 0 328.372 2.602 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)[C@H](C)c1ccccc1 ZINC000598479626 478847792 /nfs/dbraw/zinc/84/77/92/478847792.db2.gz UGIYQWNMUHPLHP-DYVFJYSZSA-N 0 0 328.368 2.798 10 5 EFBERN CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccco1 ZINC000601482108 478850943 /nfs/dbraw/zinc/85/09/43/478850943.db2.gz PDVSYSJRBFLIKY-AWEZNQCLSA-N 0 0 336.369 2.960 10 5 EFBERN COC(=O)c1conc1C(C)(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595553915 478850944 /nfs/dbraw/zinc/85/09/44/478850944.db2.gz PPDXLIDDHCMBJZ-UHFFFAOYSA-N 0 0 337.307 2.533 10 5 EFBERN Cc1cccc2c1CCC[C@H]2NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598482814 478850901 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CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000598491481 478857452 /nfs/dbraw/zinc/85/74/52/478857452.db2.gz NRUYKDXEPAWCPP-RHSMWYFYSA-N 0 0 334.372 2.755 10 5 EFBERN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000598491482 478858180 /nfs/dbraw/zinc/85/81/80/478858180.db2.gz NRUYKDXEPAWCPP-WMLDXEAASA-N 0 0 334.372 2.755 10 5 EFBERN CC1(C)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1O ZINC000601513200 478859043 /nfs/dbraw/zinc/85/90/43/478859043.db2.gz GMNHGSWUOJKVMA-OAHLLOKOSA-N 0 0 332.400 2.636 10 5 EFBERN CC(C)[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595565249 478859624 /nfs/dbraw/zinc/85/96/24/478859624.db2.gz DHLQCPZTPWHPKO-HNNXBMFYSA-N 0 0 349.366 2.627 10 5 EFBERN CC(C)(C)OC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000598496358 478860406 /nfs/dbraw/zinc/86/04/06/478860406.db2.gz FOTIRZSAZOYSTE-UHFFFAOYSA-N 0 0 340.401 2.898 10 5 EFBERN CCC(CC)CCCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595567515 478861191 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CC[C@@H](C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000583501883 478866406 /nfs/dbraw/zinc/86/64/06/478866406.db2.gz VHECYZCFKAAOSN-CAPXZKIUSA-N 0 0 348.399 2.792 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000595578434 478866554 /nfs/dbraw/zinc/86/65/54/478866554.db2.gz CNVDZZATOVWKIE-AAEUAGOBSA-N 0 0 349.387 2.544 10 5 EFBERN C[C@@H]1[C@H](CO)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505387893 478866469 /nfs/dbraw/zinc/86/64/69/478866469.db2.gz IZJMHSFYTVTXRO-PWSUYJOCSA-N 0 0 347.396 2.561 10 5 EFBERN C[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000595578416 478866720 /nfs/dbraw/zinc/86/67/20/478866720.db2.gz CEJMPVZVLLWMPP-LLVKDONJSA-N 0 0 343.387 2.766 10 5 EFBERN CC(C)c1nnc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)s1 ZINC000592360391 478867596 /nfs/dbraw/zinc/86/75/96/478867596.db2.gz MHRGIQLFMPPEFJ-UHFFFAOYSA-N 0 0 334.401 2.659 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](CC(F)(F)F)O1 ZINC000598506980 478868396 /nfs/dbraw/zinc/86/83/96/478868396.db2.gz IQUFSNPXPRYLBV-JGVFFNPUSA-N 0 0 338.307 2.838 10 5 EFBERN COc1ccc(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1 ZINC000592360724 478868709 /nfs/dbraw/zinc/86/87/09/478868709.db2.gz YDVWGSREDQEQSF-UHFFFAOYSA-N 0 0 342.351 2.527 10 5 EFBERN COc1ncncc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592367469 478869200 /nfs/dbraw/zinc/86/92/00/478869200.db2.gz WQGPVTKICGTLFX-UHFFFAOYSA-N 0 0 342.277 2.702 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000598510453 478871541 /nfs/dbraw/zinc/87/15/41/478871541.db2.gz WKLKIUKRXHZAOV-MFKMUULPSA-N 0 0 346.305 2.706 10 5 EFBERN Cc1c(CNC(=O)NC[C@H]2C(C)(C)C2(F)F)cccc1[N+](=O)[O-] ZINC000595588438 478871746 /nfs/dbraw/zinc/87/17/46/478871746.db2.gz QRWKYNKJLATULE-LBPRGKRZSA-N 0 0 327.331 2.994 10 5 EFBERN Cc1c(NS(=O)(=O)CCCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000592381857 478875845 /nfs/dbraw/zinc/87/58/45/478875845.db2.gz HXOCYGNPMGSREM-UHFFFAOYSA-N 0 0 342.417 2.852 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601557441 478877013 /nfs/dbraw/zinc/87/70/13/478877013.db2.gz AVRHYGJHEXEGAB-DLBZAZTESA-N 0 0 347.415 2.784 10 5 EFBERN C[C@H]1CCn2ncc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2C1 ZINC000565001671 478878761 /nfs/dbraw/zinc/87/87/61/478878761.db2.gz CUOHNORYMCCPCD-ZDUSSCGKSA-N 0 0 342.399 2.688 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601560585 478879195 /nfs/dbraw/zinc/87/91/95/478879195.db2.gz HWOMKZSGQAGIJI-HZPDHXFCSA-N 0 0 333.388 2.742 10 5 EFBERN Cc1nc(-c2cccc(-c3noc(-c4ccc([N+](=O)[O-])cn4)n3)c2)n[nH]1 ZINC000545057624 478879564 /nfs/dbraw/zinc/87/95/64/478879564.db2.gz PCIKCRNQJLSIDU-UHFFFAOYSA-N 0 0 349.310 2.800 10 5 EFBERN CCn1nc(C)c(CN(C)C(=O)NCc2cccc([N+](=O)[O-])c2)c1C ZINC000601564622 478881653 /nfs/dbraw/zinc/88/16/53/478881653.db2.gz DDSAHRYHQROTLR-UHFFFAOYSA-N 0 0 345.403 2.770 10 5 EFBERN CCn1nc(C)c(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1C ZINC000601563528 478881664 /nfs/dbraw/zinc/88/16/64/478881664.db2.gz XESIYVYWPVZWIA-UHFFFAOYSA-N 0 0 345.403 2.770 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(CCF)CC1 ZINC000601563526 478882458 /nfs/dbraw/zinc/88/24/58/478882458.db2.gz XCRXAJOIFZCRMB-UHFFFAOYSA-N 0 0 339.367 2.885 10 5 EFBERN CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CCCOC1 ZINC000572627835 478883022 /nfs/dbraw/zinc/88/30/22/478883022.db2.gz MGRHWFYOKBDJGI-ZDUSSCGKSA-N 0 0 336.391 2.932 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)nc1 ZINC000545083897 478883980 /nfs/dbraw/zinc/88/39/80/478883980.db2.gz GMYWMLGGMSQOKM-UHFFFAOYSA-N 0 0 338.327 2.702 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598543653 478887470 /nfs/dbraw/zinc/88/74/70/478887470.db2.gz WFNBBPKOXHYLMC-HDICACEKSA-N 0 0 330.384 2.557 10 5 EFBERN Cc1cc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc([N+](=O)[O-])c1 ZINC000598543255 478887569 /nfs/dbraw/zinc/88/75/69/478887569.db2.gz UMIXCOGKTOFJPL-HDICACEKSA-N 0 0 330.384 2.936 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598545943 478888637 /nfs/dbraw/zinc/88/86/37/478888637.db2.gz SLGIUJOPJNEDBF-HDICACEKSA-N 0 0 346.383 2.636 10 5 EFBERN Cc1cc(-c2nc(Cc3nc(C4CC4)nn3C)no2)cc([N+](=O)[O-])c1 ZINC000592416001 478889086 /nfs/dbraw/zinc/88/90/86/478889086.db2.gz XPTPSISSINXKCC-UHFFFAOYSA-N 0 0 340.343 2.550 10 5 EFBERN CCN1C[C@@H](c2noc(/C=C(\C)c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000592418149 478889404 /nfs/dbraw/zinc/88/94/04/478889404.db2.gz YWTOPAJXHICDOU-YKWSONSWSA-N 0 0 342.355 2.874 10 5 EFBERN CCN1C[C@H](c2noc(/C(C)=C\c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000592417919 478889423 /nfs/dbraw/zinc/88/94/23/478889423.db2.gz QHQUQERNZKMSPI-BIRHUZIMSA-N 0 0 342.355 2.874 10 5 EFBERN O=C(N[C@@H](c1ccncc1)C1(CO)CCC1)c1ccc([N+](=O)[O-])s1 ZINC000598550504 478891323 /nfs/dbraw/zinc/89/13/23/478891323.db2.gz IZNAYIDAHIRFSQ-AWEZNQCLSA-N 0 0 347.396 2.685 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2CC1(c1ccccc1)C2 ZINC000598554713 478892607 /nfs/dbraw/zinc/89/26/07/478892607.db2.gz LCYHNNJZMSPPDM-UHFFFAOYSA-N 0 0 340.383 2.638 10 5 EFBERN Cc1cccc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000598561684 478894936 /nfs/dbraw/zinc/89/49/36/478894936.db2.gz AJQWILJFNKSJEZ-ZUZCIYMTSA-N 0 0 328.315 2.788 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@](C)(C(F)F)O1 ZINC000598564584 478897969 /nfs/dbraw/zinc/89/79/69/478897969.db2.gz MYZGMFSJENYFGY-CLAHSXSESA-N 0 0 332.278 2.619 10 5 EFBERN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598565623 478898559 /nfs/dbraw/zinc/89/85/59/478898559.db2.gz RQEICBHKQLBHDV-RMLUDKJBSA-N 0 0 332.278 2.619 10 5 EFBERN CNc1c(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598565866 478898567 /nfs/dbraw/zinc/89/85/67/478898567.db2.gz SKGSOBVJGBPCGE-BJOHPYRUSA-N 0 0 343.330 2.521 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595630182 478900336 /nfs/dbraw/zinc/90/03/36/478900336.db2.gz RQGUDYHZVKZULT-NEPJUHHUSA-N 0 0 346.305 2.768 10 5 EFBERN CC12CC(C1)CN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000598568102 478900674 /nfs/dbraw/zinc/90/06/74/478900674.db2.gz NHOYDOVSHSNMCD-UHFFFAOYSA-N 0 0 329.400 2.822 10 5 EFBERN CSc1ccc(C(=O)N2CCO[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598570442 478901966 /nfs/dbraw/zinc/90/19/66/478901966.db2.gz WUXZVDKYBBFVGJ-AWEZNQCLSA-N 0 0 346.355 2.813 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CSc2ccccc2O1 ZINC000592461319 478902095 /nfs/dbraw/zinc/90/20/95/478902095.db2.gz RMNAAADGJBNXTJ-GFCCVEGCSA-N 0 0 347.396 2.607 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CCO1 ZINC000598570700 478902402 /nfs/dbraw/zinc/90/24/02/478902402.db2.gz GIZUYSGBEXCLLB-OAHLLOKOSA-N 0 0 339.298 2.572 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000598570655 478902822 /nfs/dbraw/zinc/90/28/22/478902822.db2.gz GAHFYGRQMMNVEB-OAHLLOKOSA-N 0 0 340.282 2.837 10 5 EFBERN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H](C)N1C ZINC000601605992 478903268 /nfs/dbraw/zinc/90/32/68/478903268.db2.gz MZAQLXWRYKQKKH-OKILXGFUSA-N 0 0 331.416 2.568 10 5 EFBERN C[C@H](C(=O)N1CCO[C@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598571889 478903715 /nfs/dbraw/zinc/90/37/15/478903715.db2.gz LCNIRESTVPNZGA-BONVTDFDSA-N 0 0 328.315 2.581 10 5 EFBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]1C(F)F ZINC000601608076 478904979 /nfs/dbraw/zinc/90/49/79/478904979.db2.gz RIGCRLHVMZIMCO-GFCCVEGCSA-N 0 0 325.315 2.675 10 5 EFBERN Cc1c(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598576117 478905653 /nfs/dbraw/zinc/90/56/53/478905653.db2.gz ZAOGBNFGYHWACR-RFAUZJTJSA-N 0 0 328.315 2.788 10 5 EFBERN Cn1c(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000598576574 478906260 /nfs/dbraw/zinc/90/62/60/478906260.db2.gz WJDJAMVOMRRWJR-OAHLLOKOSA-N 0 0 326.356 2.696 10 5 EFBERN COC(=O)c1ccnc(N2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598586901 478912732 /nfs/dbraw/zinc/91/27/32/478912732.db2.gz KQOIVKNFYRTLMB-MRVPVSSYSA-N 0 0 333.266 2.555 10 5 EFBERN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1csnn1 ZINC000601627280 478915520 /nfs/dbraw/zinc/91/55/20/478915520.db2.gz JWFXHZIHZIVUBW-SNVBAGLBSA-N 0 0 332.385 2.745 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCOc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000598597884 478919136 /nfs/dbraw/zinc/91/91/36/478919136.db2.gz WAEMZJLIKDWOBH-UHFFFAOYSA-N 0 0 348.380 2.799 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000572787416 478919652 /nfs/dbraw/zinc/91/96/52/478919652.db2.gz OGXDUQXDYKCBPE-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN Cc1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598599103 478921077 /nfs/dbraw/zinc/92/10/77/478921077.db2.gz YVQIHOQGRVCRFA-UHFFFAOYSA-N 0 0 338.385 2.934 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC[C@@H](Nc3ncccn3)C2)c(Cl)c1 ZINC000592517144 478925740 /nfs/dbraw/zinc/92/57/40/478925740.db2.gz TZOKAXKAWSEYAL-GFCCVEGCSA-N 0 0 333.779 2.725 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2CCO[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000598615291 478926987 /nfs/dbraw/zinc/92/69/87/478926987.db2.gz VXZRHICFWZRVSW-VXGBXAGGSA-N 0 0 337.376 2.782 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2CCO[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000598615289 478927117 /nfs/dbraw/zinc/92/71/17/478927117.db2.gz VXZRHICFWZRVSW-RYUDHWBXSA-N 0 0 337.376 2.782 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC(C)(CC(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598616447 478928140 /nfs/dbraw/zinc/92/81/40/478928140.db2.gz WAOVUSDBXXJSTI-UHFFFAOYSA-N 0 0 348.371 2.877 10 5 EFBERN COC(=O)c1ccnc(Nc2cnn([C@@H](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000598618633 478928616 /nfs/dbraw/zinc/92/86/16/478928616.db2.gz MYPKUKTXIARMES-VIFPVBQESA-N 0 0 331.332 2.688 10 5 EFBERN Cc1cc(S(=O)(=O)NCC[C@H]2CC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000598624543 478931234 /nfs/dbraw/zinc/93/12/34/478931234.db2.gz ITNMZVWTRKGJQA-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN COC(=O)c1ccnc(N2CC(F)(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000598627757 478933192 /nfs/dbraw/zinc/93/31/92/478933192.db2.gz QYXUMSWQLWTNAV-UHFFFAOYSA-N 0 0 349.293 2.601 10 5 EFBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601658391 478933283 /nfs/dbraw/zinc/93/32/83/478933283.db2.gz JULJCPNIEHMNDP-LLVKDONJSA-N 0 0 340.351 2.926 10 5 EFBERN COC(=O)c1ccnc(N[C@H](C2CC2)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000598630865 478934681 /nfs/dbraw/zinc/93/46/81/478934681.db2.gz NFFJURNRQUFBRZ-CHWSQXEVSA-N 0 0 335.360 2.536 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2C[C@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598634315 478936549 /nfs/dbraw/zinc/93/65/49/478936549.db2.gz RDCQIIANFPQITN-AULYBMBSSA-N 0 0 343.339 2.798 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CS(=O)(=O)Cc3ccccc32)n1 ZINC000598637177 478938051 /nfs/dbraw/zinc/93/80/51/478938051.db2.gz KGKDLXOVKXXMQF-AWEZNQCLSA-N 0 0 347.396 2.688 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCn2nccc21 ZINC000601664559 478938158 /nfs/dbraw/zinc/93/81/58/478938158.db2.gz NEUSNAMPUDEXSI-OAHLLOKOSA-N 0 0 343.387 2.510 10 5 EFBERN COC(=O)c1ccnc(N2CC(Cc3ccsc3)C2)c1[N+](=O)[O-] ZINC000598643908 478939839 /nfs/dbraw/zinc/93/98/39/478939839.db2.gz WXZCWCLGBJQUQL-UHFFFAOYSA-N 0 0 333.369 2.517 10 5 EFBERN O=C(N1CC[C@H]2COC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601669843 478941789 /nfs/dbraw/zinc/94/17/89/478941789.db2.gz JPMAJOIXEKYQCZ-KBPBESRZSA-N 0 0 330.384 2.511 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1c(C)cc(C)nc1OC ZINC000598648783 478945039 /nfs/dbraw/zinc/94/50/39/478945039.db2.gz HIIMLZODOVYCRM-UHFFFAOYSA-N 0 0 333.392 2.776 10 5 EFBERN O=C(N1CCO[C@@H]2CCC[C@@H]21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601681967 478949588 /nfs/dbraw/zinc/94/95/88/478949588.db2.gz CMJKZZXEHQTEMB-JKSUJKDBSA-N 0 0 330.384 2.796 10 5 EFBERN CC(C)(C)OC(=O)C(C)(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000592584890 478951951 /nfs/dbraw/zinc/95/19/51/478951951.db2.gz XURSWBMKBQGHAW-UHFFFAOYSA-N 0 0 336.388 2.621 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601686807 478952873 /nfs/dbraw/zinc/95/28/73/478952873.db2.gz ZWOPBTIHRLQFOR-IATRGZMQSA-N 0 0 332.400 2.945 10 5 EFBERN COCC1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000598670189 478955922 /nfs/dbraw/zinc/95/59/22/478955922.db2.gz RSZXVGHZFBDOJQ-UHFFFAOYSA-N 0 0 336.388 2.817 10 5 EFBERN CCOc1ccc(N(CC2CC2)C(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000601704005 478961308 /nfs/dbraw/zinc/96/13/08/478961308.db2.gz ZDBJXDPFBKGREL-UHFFFAOYSA-N 0 0 344.371 2.633 10 5 EFBERN COc1ccc(NC(=O)C(C)(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000592618620 478967604 /nfs/dbraw/zinc/96/76/04/478967604.db2.gz YQALMDPOOOCPTF-UHFFFAOYSA-N 0 0 338.360 2.910 10 5 EFBERN COC(=O)[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595736229 478967974 /nfs/dbraw/zinc/96/79/74/478967974.db2.gz ZZXXOSLTUGIYAQ-UXLLHSPISA-N 0 0 348.399 2.854 10 5 EFBERN C[C@H](C1CC1)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000601714758 478970446 /nfs/dbraw/zinc/97/04/46/478970446.db2.gz LDQXFNXDWDNTGX-CYBMUJFWSA-N 0 0 341.367 2.588 10 5 EFBERN Cc1cccc(COCC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000598696287 478976753 /nfs/dbraw/zinc/97/67/53/478976753.db2.gz XYDDWBHMHWVVBM-UHFFFAOYSA-N 0 0 328.368 2.779 10 5 EFBERN COc1ccc(C(=O)CNC(=O)[C@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000601739251 478977424 /nfs/dbraw/zinc/97/74/24/478977424.db2.gz PWERAMBSQFHQFP-LLVKDONJSA-N 0 0 336.388 2.975 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CCSCC3)CC2)n1 ZINC000601738772 478978369 /nfs/dbraw/zinc/97/83/69/478978369.db2.gz GQWPCNCQVFVCMT-UHFFFAOYSA-N 0 0 338.433 2.561 10 5 EFBERN COCC1(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000598701240 478979515 /nfs/dbraw/zinc/97/95/15/478979515.db2.gz BVBUOIQVASZEQH-UHFFFAOYSA-N 0 0 346.387 2.684 10 5 EFBERN CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000601745079 478982460 /nfs/dbraw/zinc/98/24/60/478982460.db2.gz QIGQDEXTLXTXCZ-UHFFFAOYSA-N 0 0 347.415 2.781 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601761355 478988368 /nfs/dbraw/zinc/98/83/68/478988368.db2.gz NDZFFOSKYKBJSZ-VHSKPIJISA-N 0 0 343.177 2.653 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601761354 478988666 /nfs/dbraw/zinc/98/86/66/478988666.db2.gz NDZFFOSKYKBJSZ-SOCHQFKDSA-N 0 0 343.177 2.653 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](O)C(F)F ZINC000601762484 478989810 /nfs/dbraw/zinc/98/98/10/478989810.db2.gz GUQFJZUBFATVKV-NSHDSACASA-N 0 0 348.371 2.843 10 5 EFBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)CC(F)F ZINC000592671766 478990110 /nfs/dbraw/zinc/99/01/10/478990110.db2.gz FEOZBNBGONWQTH-SNVBAGLBSA-N 0 0 338.314 2.802 10 5 EFBERN CC(C)(C)c1ccc(C(=O)NCC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601763408 478990501 /nfs/dbraw/zinc/99/05/01/478990501.db2.gz LQVOZXYNRQPOCF-LBPRGKRZSA-N 0 0 330.331 2.638 10 5 EFBERN C[C@@]1(CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595777954 478991536 /nfs/dbraw/zinc/99/15/36/478991536.db2.gz MOPYMCPYYCDFOX-CQSZACIVSA-N 0 0 342.346 2.741 10 5 EFBERN COCC1(C2CC2)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000601768546 478992520 /nfs/dbraw/zinc/99/25/20/478992520.db2.gz PPZWSTZCKTXQBE-UHFFFAOYSA-N 0 0 345.399 2.668 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000592681440 478993616 /nfs/dbraw/zinc/99/36/16/478993616.db2.gz LQJQTMVQHBKZKB-ZDUSSCGKSA-N 0 0 336.388 2.919 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595781472 478993920 /nfs/dbraw/zinc/99/39/20/478993920.db2.gz UKCUXFXDIKZPGD-MBNYWOFBSA-N 0 0 335.404 2.730 10 5 EFBERN O=[N+]([O-])c1c(N[C@H](CO)Cc2ccc(O)cc2)ccc2ncccc21 ZINC000565389335 478995972 /nfs/dbraw/zinc/99/59/72/478995972.db2.gz CNDZISSHDZMIEX-ZDUSSCGKSA-N 0 0 339.351 2.864 10 5 EFBERN C[C@](CO)(NC(=O)CCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601775551 478996377 /nfs/dbraw/zinc/99/63/77/478996377.db2.gz FTNDGULUBARGGJ-CYBMUJFWSA-N 0 0 334.294 2.651 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592684570 478996444 /nfs/dbraw/zinc/99/64/44/478996444.db2.gz HLJFAOAKOAAETI-LBPRGKRZSA-N 0 0 342.779 2.956 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595784726 478996930 /nfs/dbraw/zinc/99/69/30/478996930.db2.gz FXXNPSLTVKMPKE-AMIZOPFISA-N 0 0 344.293 2.623 10 5 EFBERN C[C@H]1CCC[C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000595784226 478997288 /nfs/dbraw/zinc/99/72/88/478997288.db2.gz SEBNIZPTUXICBP-DZGCQCFKSA-N 0 0 335.404 2.736 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)OCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595787128 478999268 /nfs/dbraw/zinc/99/92/68/478999268.db2.gz UIWLNJBSKIOVJD-ZWNOBZJWSA-N 0 0 334.294 2.625 10 5 EFBERN Cc1nn(C)c(C(=O)NC2(c3ccccc3F)CCC2)c1[N+](=O)[O-] ZINC000592690238 478999541 /nfs/dbraw/zinc/99/95/41/478999541.db2.gz LRAXOEMZJYDMLV-UHFFFAOYSA-N 0 0 332.335 2.585 10 5 EFBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592690017 478999962 /nfs/dbraw/zinc/99/99/62/478999962.db2.gz YPOYYQOMNPKTNV-SMDDNHRTSA-N 0 0 336.388 2.792 10 5 EFBERN C[C@@](CO)(NC(=O)c1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601779315 479000148 /nfs/dbraw/zinc/00/01/48/479000148.db2.gz PKCQQPAIULBZPV-IBGZPJMESA-N 0 0 340.379 2.721 10 5 EFBERN CC(C)(CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000601780828 479000777 /nfs/dbraw/zinc/00/07/77/479000777.db2.gz UVACNZRSESXARN-CQSZACIVSA-N 0 0 348.321 2.897 10 5 EFBERN CC[C@@H](CC(F)F)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601781487 479001229 /nfs/dbraw/zinc/00/12/29/479001229.db2.gz WWEVQMOFQHPBFT-BONVTDFDSA-N 0 0 330.331 2.600 10 5 EFBERN C[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601782333 479001808 /nfs/dbraw/zinc/00/18/08/479001808.db2.gz YNYBMNQZYUWICR-UGSOOPFHSA-N 0 0 328.368 2.722 10 5 EFBERN CC[C@@H](NC(=O)NCCc1cncc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000595791404 479002125 /nfs/dbraw/zinc/00/21/25/479002125.db2.gz OXDAXSJBLFKISD-MRXNPFEDSA-N 0 0 343.387 2.686 10 5 EFBERN C[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601782332 479002550 /nfs/dbraw/zinc/00/25/50/479002550.db2.gz YNYBMNQZYUWICR-SCLBCKFNSA-N 0 0 328.368 2.722 10 5 EFBERN C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601782199 479002560 /nfs/dbraw/zinc/00/25/60/479002560.db2.gz WZCGTFXHOSTIEU-LIRRHRJNSA-N 0 0 342.395 2.797 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000592697415 479003472 /nfs/dbraw/zinc/00/34/72/479003472.db2.gz VYJIBVTYQGKNNP-JGZJWPJOSA-N 0 0 342.342 2.878 10 5 EFBERN O=[N+]([O-])c1cccc(OC[C@@H](O)COc2cccc3c2CCC3)c1 ZINC000565422626 479004452 /nfs/dbraw/zinc/00/44/52/479004452.db2.gz RTADEFNNWNZNPU-OAHLLOKOSA-N 0 0 329.352 2.902 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](C(F)F)CC1 ZINC000601798020 479009125 /nfs/dbraw/zinc/00/91/25/479009125.db2.gz FXTUATGULRAGRI-GFCCVEGCSA-N 0 0 340.282 2.837 10 5 EFBERN CC(C)(C(=O)N1CCO[C@@H](C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000601798181 479009191 /nfs/dbraw/zinc/00/91/91/479009191.db2.gz GHTQKBKQIRMGAO-CYBMUJFWSA-N 0 0 342.342 2.755 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC(C)(C)C ZINC000592717081 479010319 /nfs/dbraw/zinc/01/03/19/479010319.db2.gz QJKPVMVSFVIXAL-VIFPVBQESA-N 0 0 328.390 2.815 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](C(F)F)CC1 ZINC000601803861 479012568 /nfs/dbraw/zinc/01/25/68/479012568.db2.gz TZNHTNGBYTZIBL-NSHDSACASA-N 0 0 334.706 2.744 10 5 EFBERN COc1ccccc1C(=O)Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000573205339 479013326 /nfs/dbraw/zinc/01/33/26/479013326.db2.gz KSWNCBOXMZFENA-UHFFFAOYSA-N 0 0 342.351 2.527 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](C(F)F)CC1 ZINC000601806533 479013394 /nfs/dbraw/zinc/01/33/94/479013394.db2.gz ZAIJBTSXABWRJD-NSHDSACASA-N 0 0 334.706 2.744 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000601807539 479013656 /nfs/dbraw/zinc/01/36/56/479013656.db2.gz BYRFPOUBQSANFQ-CYBMUJFWSA-N 0 0 328.315 2.708 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595816227 479014015 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CC(C)[C@@](C)(Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000601834264 479027099 /nfs/dbraw/zinc/02/70/99/479027099.db2.gz CVDBPPYGZSTFHC-QGZVFWFLSA-N 0 0 330.388 2.565 10 5 EFBERN COC(=O)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(C)o1 ZINC000598805004 479031097 /nfs/dbraw/zinc/03/10/97/479031097.db2.gz CCZVHKKEAOFFKA-SECBINFHSA-N 0 0 344.323 2.874 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cn1cc(C2CC2)cn1 ZINC000598806065 479031178 /nfs/dbraw/zinc/03/11/78/479031178.db2.gz OJSOWEQKNUVXEZ-NSHDSACASA-N 0 0 326.356 2.647 10 5 EFBERN COC(=O)c1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(C)o1 ZINC000598805005 479031375 /nfs/dbraw/zinc/03/13/75/479031375.db2.gz CCZVHKKEAOFFKA-VIFPVBQESA-N 0 0 344.323 2.874 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccnn1C1CCOCC1 ZINC000598808942 479032325 /nfs/dbraw/zinc/03/23/25/479032325.db2.gz SWMRJMSGDSHFFH-UHFFFAOYSA-N 0 0 334.307 2.534 10 5 EFBERN CCc1nccn1[C@H](C)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592767092 479033590 /nfs/dbraw/zinc/03/35/90/479033590.db2.gz NUBPBAGSFUEJOT-CYBMUJFWSA-N 0 0 330.388 2.664 10 5 EFBERN CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598810461 479033707 /nfs/dbraw/zinc/03/37/07/479033707.db2.gz ROIONCCIUJYSBC-AYVTZFPOSA-N 0 0 342.298 2.950 10 5 EFBERN CC1(C)CC(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000595862503 479039653 /nfs/dbraw/zinc/03/96/53/479039653.db2.gz DQFXOKGNIJJJEA-UHFFFAOYSA-N 0 0 332.404 2.615 10 5 EFBERN Cc1cc(C(=O)N[C@@](C)(CO)Cc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000601851529 479040550 /nfs/dbraw/zinc/04/05/50/479040550.db2.gz ISSKBSSDVDMMOD-GOSISDBHSA-N 0 0 346.358 2.766 10 5 EFBERN C[C@@](CO)(Cc1ccccc1F)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000601852293 479040570 /nfs/dbraw/zinc/04/05/70/479040570.db2.gz MMGYSGKMUHRCKX-HNNXBMFYSA-N 0 0 338.360 2.519 10 5 EFBERN Cc1cc(C(=O)N[C@](C)(CO)Cc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000601851531 479041038 /nfs/dbraw/zinc/04/10/38/479041038.db2.gz ISSKBSSDVDMMOD-SFHVURJKSA-N 0 0 346.358 2.766 10 5 EFBERN Cc1cc(C(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000601851800 479041329 /nfs/dbraw/zinc/04/13/29/479041329.db2.gz JUQPUTBCXWEPCX-GOSISDBHSA-N 0 0 346.358 2.766 10 5 EFBERN Cc1nc(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000598824067 479041505 /nfs/dbraw/zinc/04/15/05/479041505.db2.gz VBCLEXVGCLYRMS-CYBMUJFWSA-N 0 0 335.360 2.605 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000584180091 479044260 /nfs/dbraw/zinc/04/42/60/479044260.db2.gz QUYQBMTYYOITST-QWRGUYRKSA-N 0 0 325.796 2.721 10 5 EFBERN Cc1cccc(C[C@@]2(C)CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000601868053 479049217 /nfs/dbraw/zinc/04/92/17/479049217.db2.gz DRTSTTUKHSWVQV-GOSISDBHSA-N 0 0 342.399 2.724 10 5 EFBERN Cc1cccc(C[C@]2(C)CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000601868054 479049414 /nfs/dbraw/zinc/04/94/14/479049414.db2.gz DRTSTTUKHSWVQV-SFHVURJKSA-N 0 0 342.399 2.724 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)OC)oc1C ZINC000598840437 479049449 /nfs/dbraw/zinc/04/94/49/479049449.db2.gz DFHVCVKKAAVQLC-UHFFFAOYSA-N 0 0 348.311 2.934 10 5 EFBERN Cc1cccc(C[C@]2(C)CCCN2C(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000601872385 479051228 /nfs/dbraw/zinc/05/12/28/479051228.db2.gz YRTKKCIFQISTPT-KRWDZBQOSA-N 0 0 328.372 2.864 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](CC(F)(F)F)C3)nc2c1 ZINC000595886968 479052242 /nfs/dbraw/zinc/05/22/42/479052242.db2.gz QCHUQQWZCCHOBX-SNVBAGLBSA-N 0 0 345.277 2.889 10 5 EFBERN COc1c(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601876246 479052450 /nfs/dbraw/zinc/05/24/50/479052450.db2.gz HWEUNQBSABTINS-CABCVRRESA-N 0 0 334.372 2.681 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601877303 479052743 /nfs/dbraw/zinc/05/27/43/479052743.db2.gz NIVUNUYFPDUBGE-ZBFHGGJFSA-N 0 0 334.372 2.681 10 5 EFBERN COc1cc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000601880215 479053830 /nfs/dbraw/zinc/05/38/30/479053830.db2.gz BEBIVKUBDCXVTD-HOCLYGCPSA-N 0 0 334.372 2.681 10 5 EFBERN COc1ccc(CC(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601880690 479055113 /nfs/dbraw/zinc/05/51/13/479055113.db2.gz CZNMJPXHXXTSSH-FUHWJXTLSA-N 0 0 348.399 2.610 10 5 EFBERN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(N(C)C)nn1 ZINC000598853115 479056364 /nfs/dbraw/zinc/05/63/64/479056364.db2.gz GVSLQOVATNYBLM-UHFFFAOYSA-N 0 0 349.778 2.594 10 5 EFBERN COc1c(C(=O)Nc2ccnn2CC2CCC2)cccc1[N+](=O)[O-] ZINC000601884450 479056839 /nfs/dbraw/zinc/05/68/39/479056839.db2.gz MDZSMFOWJAAUGJ-UHFFFAOYSA-N 0 0 330.344 2.852 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000601885289 479056900 /nfs/dbraw/zinc/05/69/00/479056900.db2.gz LXJTWKLUNGMFAQ-CVEARBPZSA-N 0 0 334.372 2.681 10 5 EFBERN Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(N(C)C)nn1 ZINC000598857314 479057111 /nfs/dbraw/zinc/05/71/11/479057111.db2.gz WEXFNTLYFIJDAD-UHFFFAOYSA-N 0 0 343.387 2.676 10 5 EFBERN Cc1c(CC(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601885232 479057416 /nfs/dbraw/zinc/05/74/16/479057416.db2.gz LQFHQNUQZSZZNO-AEFFLSMTSA-N 0 0 332.400 2.910 10 5 EFBERN Cc1c(CC(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601885249 479057590 /nfs/dbraw/zinc/05/75/90/479057590.db2.gz LQFHQNUQZSZZNO-FUHWJXTLSA-N 0 0 332.400 2.910 10 5 EFBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2c(cccc2C(N)=O)C1 ZINC000595904407 479061462 /nfs/dbraw/zinc/06/14/62/479061462.db2.gz YCWWRDMAFGLKHM-GFCCVEGCSA-N 0 0 325.368 2.813 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592827476 479062337 /nfs/dbraw/zinc/06/23/37/479062337.db2.gz OKCAMZZAIMVSEP-OAHLLOKOSA-N 0 0 344.367 2.991 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][nH]cc1C1CC1 ZINC000592828464 479063603 /nfs/dbraw/zinc/06/36/03/479063603.db2.gz QOXJYHOQYMNWAH-GFCCVEGCSA-N 0 0 328.372 2.825 10 5 EFBERN COc1ccc(CC(=O)N2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592835433 479066058 /nfs/dbraw/zinc/06/60/58/479066058.db2.gz OXEGZNHBIBIGSR-UHFFFAOYSA-N 0 0 328.315 2.650 10 5 EFBERN COC(=O)[C@@](C)(CCF)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000598874868 479067105 /nfs/dbraw/zinc/06/71/05/479067105.db2.gz FSPFRKWOHQGIMI-CQSZACIVSA-N 0 0 346.742 2.578 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCCc2cc(Cl)ccc21 ZINC000598874964 479067631 /nfs/dbraw/zinc/06/76/31/479067631.db2.gz BSSYSJITMOWQCU-UHFFFAOYSA-N 0 0 334.763 2.814 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000592840486 479068337 /nfs/dbraw/zinc/06/83/37/479068337.db2.gz RJDSQAKSTOXADU-AWEZNQCLSA-N 0 0 347.371 2.784 10 5 EFBERN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595914502 479069443 /nfs/dbraw/zinc/06/94/43/479069443.db2.gz HQYZFRGVKVKLPH-ABAIWWIYSA-N 0 0 330.331 2.718 10 5 EFBERN C[C@H]1CC(=O)CC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584263928 479069527 /nfs/dbraw/zinc/06/95/27/479069527.db2.gz XAACSWGOZCHJKD-XHDPSFHLSA-N 0 0 343.383 2.740 10 5 EFBERN COc1ccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595914536 479069733 /nfs/dbraw/zinc/06/97/33/479069733.db2.gz HVSVXKQLEWXGBZ-MEBBXXQBSA-N 0 0 330.331 2.848 10 5 EFBERN CCCc1nccnc1NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000598878480 479070679 /nfs/dbraw/zinc/07/06/79/479070679.db2.gz SQKHPJWQCLFVGM-UHFFFAOYSA-N 0 0 334.307 2.737 10 5 EFBERN CO[C@@H]1COCC[C@H]1CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000598881409 479071567 /nfs/dbraw/zinc/07/15/67/479071567.db2.gz QUSFEIOMTXPZBY-WMLDXEAASA-N 0 0 348.399 2.706 10 5 EFBERN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000546787362 479072271 /nfs/dbraw/zinc/07/22/71/479072271.db2.gz LCVNGBPGCXNQGE-LLVKDONJSA-N 0 0 343.339 2.594 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000592851892 479072626 /nfs/dbraw/zinc/07/26/26/479072626.db2.gz BATVPVLUICLRMB-QGZVFWFLSA-N 0 0 338.404 2.730 10 5 EFBERN COc1cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000595921688 479076083 /nfs/dbraw/zinc/07/60/83/479076083.db2.gz YQXZHMIDXIQSDC-VFZGTOFNSA-N 0 0 348.321 2.987 10 5 EFBERN C[C@H]1CC2(CCC2)CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598907155 479080870 /nfs/dbraw/zinc/08/08/70/479080870.db2.gz LXNDHKXTHPUPDP-LBPRGKRZSA-N 0 0 346.387 2.507 10 5 EFBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC(CC2CC2)C1 ZINC000598905239 479081161 /nfs/dbraw/zinc/08/11/61/479081161.db2.gz GRGXBWHJODJXIF-UHFFFAOYSA-N 0 0 326.356 2.857 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@@H]2CC2(F)F)c1 ZINC000598908310 479082204 /nfs/dbraw/zinc/08/22/04/479082204.db2.gz CHBPQRAXJXSEFM-LLVKDONJSA-N 0 0 328.315 2.834 10 5 EFBERN Cc1sc(C(=O)N[C@H](CCO)c2ccccc2F)cc1[N+](=O)[O-] ZINC000592880529 479087132 /nfs/dbraw/zinc/08/71/32/479087132.db2.gz IWUAKRHJOQCXEQ-GFCCVEGCSA-N 0 0 338.360 2.957 10 5 EFBERN CC[C@@H](NC(=O)c1noc2c1COCC2)c1cccc([N+](=O)[O-])c1 ZINC000598933470 479089673 /nfs/dbraw/zinc/08/96/73/479089673.db2.gz FBTPMQCCRPGYFX-CYBMUJFWSA-N 0 0 331.328 2.537 10 5 EFBERN CC1(C)Cc2n[nH]cc2CN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596001897 479091162 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EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCn2c(nnc2C(F)F)C1 ZINC000598941715 479093571 /nfs/dbraw/zinc/09/35/71/479093571.db2.gz PPDPODXXIYMNOY-UHFFFAOYSA-N 0 0 346.297 2.692 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCc2n[nH]cc2C1 ZINC000596005876 479094207 /nfs/dbraw/zinc/09/42/07/479094207.db2.gz HOGNBDWDOLQQPV-UHFFFAOYSA-N 0 0 334.763 2.868 10 5 EFBERN Cc1sc(C(=O)N2Cc3ccccc3N(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000598942418 479094276 /nfs/dbraw/zinc/09/42/76/479094276.db2.gz ABQGXMHGXRZAGL-UHFFFAOYSA-N 0 0 345.380 2.584 10 5 EFBERN COc1ccc(CN2Cc3ccccc3NC(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000598949139 479096250 /nfs/dbraw/zinc/09/62/50/479096250.db2.gz KHKBRMHRNGOLDT-LBPRGKRZSA-N 0 0 341.367 2.946 10 5 EFBERN CCCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC000592900749 479097169 /nfs/dbraw/zinc/09/71/69/479097169.db2.gz ICDYUKYDZHWSBX-JTQLQIEISA-N 0 0 349.416 2.574 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592901127 479097305 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CC(C)OC(=O)C[C@@H](NC(=O)C12CC(C1)C2)c1ccccc1[N+](=O)[O-] ZINC000598984869 479113044 /nfs/dbraw/zinc/11/30/44/479113044.db2.gz VFSANRDHKIELCF-HZEYSBKDSA-N 0 0 346.383 2.894 10 5 EFBERN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000598992774 479117628 /nfs/dbraw/zinc/11/76/28/479117628.db2.gz DSNBMMHKMXLPGQ-SFHVURJKSA-N 0 0 341.411 2.968 10 5 EFBERN O=C([C@H]1COc2cc(F)ccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000598997636 479119618 /nfs/dbraw/zinc/11/96/18/479119618.db2.gz GPSSETYFRUAVJU-CYBMUJFWSA-N 0 0 342.326 2.874 10 5 EFBERN COc1cc(N2CCc3nc(N)sc3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596078714 479124504 /nfs/dbraw/zinc/12/45/04/479124504.db2.gz XXMNSEBXFYUWCR-UHFFFAOYSA-N 0 0 340.792 2.689 10 5 EFBERN CC(C)(C)CC(=O)N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596077741 479124581 /nfs/dbraw/zinc/12/45/81/479124581.db2.gz XROOTGGAPVLDMM-UHFFFAOYSA-N 0 0 340.811 2.728 10 5 EFBERN COc1cc(NCC(=O)N2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596079107 479126487 /nfs/dbraw/zinc/12/64/87/479126487.db2.gz ZDIXWINSHDZZNW-UHFFFAOYSA-N 0 0 327.768 2.681 10 5 EFBERN C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596080807 479126913 /nfs/dbraw/zinc/12/69/13/479126913.db2.gz NTMCITGPXRQRKZ-BDAKNGLRSA-N 0 0 331.294 2.704 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2c(C)noc2C)c1 ZINC000593018641 479127196 /nfs/dbraw/zinc/12/71/96/479127196.db2.gz DRIYEEJZQJPIFY-SECBINFHSA-N 0 0 333.344 2.837 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596083129 479127728 /nfs/dbraw/zinc/12/77/28/479127728.db2.gz FJUDUPXBLTXMOT-SECBINFHSA-N 0 0 328.752 2.873 10 5 EFBERN Cc1cc(C2(NCc3ccc(C)c([N+](=O)[O-])c3)CCOCC2)on1 ZINC000599021233 479127875 /nfs/dbraw/zinc/12/78/75/479127875.db2.gz VJZRAMVDBVOLAM-UHFFFAOYSA-N 0 0 331.372 2.995 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)c2ccccc2C)c1 ZINC000593022175 479128087 /nfs/dbraw/zinc/12/80/87/479128087.db2.gz CSPJCYVUFKEFHH-MRXNPFEDSA-N 0 0 344.367 2.513 10 5 EFBERN COCC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000593023579 479130135 /nfs/dbraw/zinc/13/01/35/479130135.db2.gz WFHMIBBPFOXTDJ-AWEZNQCLSA-N 0 0 348.355 2.842 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2cnccc2C)c1 ZINC000593023020 479130166 /nfs/dbraw/zinc/13/01/66/479130166.db2.gz NNVHETOBHQUZHB-LBPRGKRZSA-N 0 0 329.356 2.936 10 5 EFBERN CCCNC(=O)[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599035700 479133392 /nfs/dbraw/zinc/13/33/92/479133392.db2.gz MKOHAYAPGVKEGU-AWEZNQCLSA-N 0 0 342.399 2.886 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCSC[C@@H]2C2CC2)c1 ZINC000593030927 479133748 /nfs/dbraw/zinc/13/37/48/479133748.db2.gz RREJSYPAQNVNFW-OAHLLOKOSA-N 0 0 336.413 2.709 10 5 EFBERN NC(=O)CC[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599038898 479135618 /nfs/dbraw/zinc/13/56/18/479135618.db2.gz VXCFWMAMHRWNIW-GFCCVEGCSA-N 0 0 328.372 2.625 10 5 EFBERN O=C1CCCN1[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599044428 479136502 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EFBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCn2c(CC3CC3)nnc2C1 ZINC000593053437 479144587 /nfs/dbraw/zinc/14/45/87/479144587.db2.gz GILMLVYPKVBLPQ-GFCCVEGCSA-N 0 0 327.388 2.716 10 5 EFBERN COc1cc(N[C@H](C)[C@@H](C)N2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596114957 479146448 /nfs/dbraw/zinc/14/64/48/479146448.db2.gz PHFUIOVMLRASCS-GHMZBOCLSA-N 0 0 343.811 2.778 10 5 EFBERN CC1(C)CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599069966 479147616 /nfs/dbraw/zinc/14/76/16/479147616.db2.gz DSUMNOKBMVLXNE-GOSISDBHSA-N 0 0 343.383 2.917 10 5 EFBERN CC(C)OC[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599067466 479147838 /nfs/dbraw/zinc/14/78/38/479147838.db2.gz DWZKPEQFCRRXRL-CQSZACIVSA-N 0 0 331.372 2.773 10 5 EFBERN CC1(C)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC000599072382 479149965 /nfs/dbraw/zinc/14/99/65/479149965.db2.gz DFVPCFLYEFDRML-UHFFFAOYSA-N 0 0 349.412 2.547 10 5 EFBERN Cc1cnc(CCn2cnc3sc([N+](=O)[O-])cc3c2=O)c(C)c1 ZINC000515351246 479153557 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C[C@H](NC(=O)c1ccn(C2CCOCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000599102610 479161942 /nfs/dbraw/zinc/16/19/42/479161942.db2.gz NGPVQZGMGLSTII-LBPRGKRZSA-N 0 0 344.371 2.634 10 5 EFBERN C[C@@H]1CO[C@@H](C)CN1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599105541 479162708 /nfs/dbraw/zinc/16/27/08/479162708.db2.gz YQDGGZRWJAVOCM-OLZOCXBDSA-N 0 0 330.388 2.664 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)n1 ZINC000599108645 479164076 /nfs/dbraw/zinc/16/40/76/479164076.db2.gz OYVSQPYXKJQTKG-ZIAGYGMSSA-N 0 0 331.376 2.672 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599111069 479165023 /nfs/dbraw/zinc/16/50/23/479165023.db2.gz JUEKGSMTJPHUOK-AWEZNQCLSA-N 0 0 342.399 2.884 10 5 EFBERN CCOC(=O)c1nccc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000596150624 479165210 /nfs/dbraw/zinc/16/52/10/479165210.db2.gz CZOFYLGZFLZYJL-ZDUSSCGKSA-N 0 0 330.344 2.547 10 5 EFBERN CC1(C)CCC[C@H]1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000599115757 479165884 /nfs/dbraw/zinc/16/58/84/479165884.db2.gz LJKFGVSIIBGJGD-NSHDSACASA-N 0 0 341.433 2.871 10 5 EFBERN C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596153543 479166118 /nfs/dbraw/zinc/16/61/18/479166118.db2.gz HHZIYFLAQRTGCC-SJCJKPOMSA-N 0 0 341.367 2.660 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2COc3cccc(C)c3C2)c1[N+](=O)[O-] ZINC000599123345 479169353 /nfs/dbraw/zinc/16/93/53/479169353.db2.gz MEWXCVGIJHDZJO-NSHDSACASA-N 0 0 343.339 2.500 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1NC[C@@]1(CCO)CCOC1 ZINC000596159704 479170535 /nfs/dbraw/zinc/17/05/35/479170535.db2.gz HOXUWVLYFZGKPC-CYBMUJFWSA-N 0 0 345.193 2.558 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599125675 479170657 /nfs/dbraw/zinc/17/06/57/479170657.db2.gz ABLQAQWVCZFRET-ZDUSSCGKSA-N 0 0 348.403 2.595 10 5 EFBERN CCOC(=O)c1ccnc(N2CC(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000610735124 479171140 /nfs/dbraw/zinc/17/11/40/479171140.db2.gz CVFMWQCAOUAEQK-UHFFFAOYSA-N 0 0 333.266 2.555 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](CC)C1 ZINC000596165935 479173935 /nfs/dbraw/zinc/17/39/35/479173935.db2.gz VPGPIHRIMXLGIM-GFCCVEGCSA-N 0 0 341.433 2.519 10 5 EFBERN COC(=O)c1cnc(C2CCN(c3ccncc3[N+](=O)[O-])CC2)s1 ZINC000599134664 479174255 /nfs/dbraw/zinc/17/42/55/479174255.db2.gz LWCKZWWVQMUDRU-UHFFFAOYSA-N 0 0 348.384 2.617 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC(CC(F)(F)F)C1 ZINC000610745544 479174515 /nfs/dbraw/zinc/17/45/15/479174515.db2.gz RQXSGTKSQWLRNN-UHFFFAOYSA-N 0 0 341.289 2.960 10 5 EFBERN O=c1[nH]ccc(N[C@@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000596167099 479175665 /nfs/dbraw/zinc/17/56/65/479175665.db2.gz CZGSYNHPAVXBCK-SNVBAGLBSA-N 0 0 325.390 2.552 10 5 EFBERN Cc1ccc(C)c(N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)c1 ZINC000596167673 479175762 /nfs/dbraw/zinc/17/57/62/479175762.db2.gz HCXKQNBGUCMNJG-UHFFFAOYSA-N 0 0 327.388 2.515 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000596169379 479177057 /nfs/dbraw/zinc/17/70/57/479177057.db2.gz IIBAHFNEMXWSDJ-NXEZZACHSA-N 0 0 342.779 2.632 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000596168408 479177410 /nfs/dbraw/zinc/17/74/10/479177410.db2.gz RAAINNCKNIOKRH-SNVBAGLBSA-N 0 0 343.836 2.922 10 5 EFBERN COc1cc(N(C)C[C@H]2CCN(C(C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596172144 479178484 /nfs/dbraw/zinc/17/84/84/479178484.db2.gz HDTFFXGWSMYKNR-LLVKDONJSA-N 0 0 341.795 2.561 10 5 EFBERN CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@@H]1C ZINC000596172204 479178863 /nfs/dbraw/zinc/17/88/63/479178863.db2.gz INAVSUBAJHCOMR-JTQLQIEISA-N 0 0 341.795 2.565 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](CO)CC2CC2)ccc1[N+](=O)[O-] ZINC000596172490 479178896 /nfs/dbraw/zinc/17/88/96/479178896.db2.gz MJVOQZGARYQRCW-VIFPVBQESA-N 0 0 328.752 2.608 10 5 EFBERN CC(=O)c1ccc2c(c1)CCN(c1cc[nH]c(=O)c1[N+](=O)[O-])CC2 ZINC000596174113 479179734 /nfs/dbraw/zinc/17/97/34/479179734.db2.gz HWXWAILZDRKJSA-UHFFFAOYSA-N 0 0 327.340 2.503 10 5 EFBERN CCOc1cccc(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000610760539 479179735 /nfs/dbraw/zinc/17/97/35/479179735.db2.gz STZOJGCWWKMLAA-UHFFFAOYSA-N 0 0 333.319 2.500 10 5 EFBERN Cn1nccc1[C@H]1COCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593110052 479180514 /nfs/dbraw/zinc/18/05/14/479180514.db2.gz MXEYQFDLZQCLNC-OAHLLOKOSA-N 0 0 336.779 2.555 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000596175726 479181682 /nfs/dbraw/zinc/18/16/82/479181682.db2.gz RTAOIJDNAINSSG-MRVPVSSYSA-N 0 0 330.793 2.977 10 5 EFBERN CCO[C@@]1(C)C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000599146864 479181860 /nfs/dbraw/zinc/18/18/60/479181860.db2.gz AFBDLOWYTLYOLN-PBHICJAKSA-N 0 0 344.371 2.539 10 5 EFBERN COC(=O)c1cc(N2CCC[C@@H](n3ccnc3)C2)cc(C)c1[N+](=O)[O-] ZINC000610769863 479182071 /nfs/dbraw/zinc/18/20/71/479182071.db2.gz NZWNZYUPVXSNIB-CYBMUJFWSA-N 0 0 344.371 2.728 10 5 EFBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593115214 479182044 /nfs/dbraw/zinc/18/20/44/479182044.db2.gz AMUDVZIJJFZSLB-HZMBPMFUSA-N 0 0 325.315 2.653 10 5 EFBERN COc1ccc(CNC(=O)NC(C)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000596179344 479183286 /nfs/dbraw/zinc/18/32/86/479183286.db2.gz OHRCPYXJYVSYRY-UHFFFAOYSA-N 0 0 333.388 2.981 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CC2CCC(F)(F)CC2)n1 ZINC000599154039 479184648 /nfs/dbraw/zinc/18/46/48/479184648.db2.gz OPUIJFQXLOLYAN-UHFFFAOYSA-N 0 0 327.291 2.746 10 5 EFBERN COC(=O)c1c(Cl)c(NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000596184345 479185210 /nfs/dbraw/zinc/18/52/10/479185210.db2.gz FUBGAQCZSVWNNI-UHFFFAOYSA-N 0 0 339.779 2.709 10 5 EFBERN COc1cc(Cc2noc(C34CC(C3)C4)n2)c([N+](=O)[O-])c(OC)c1 ZINC000599156293 479185859 /nfs/dbraw/zinc/18/58/59/479185859.db2.gz XAPSMSZWFKIHSB-UHFFFAOYSA-N 0 0 331.328 2.637 10 5 EFBERN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000573981873 479188292 /nfs/dbraw/zinc/18/82/92/479188292.db2.gz ZGLCKUOMYDWALI-HUUCEWRRSA-N 0 0 344.392 2.700 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596188252 479188614 /nfs/dbraw/zinc/18/86/14/479188614.db2.gz UTVKKTZOLQSAEL-SUMWQHHRSA-N 0 0 343.383 2.559 10 5 EFBERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000599162438 479188780 /nfs/dbraw/zinc/18/87/80/479188780.db2.gz GOJDKJDKPTYGBR-MFKMUULPSA-N 0 0 326.324 2.504 10 5 EFBERN Cc1cc(=NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[nH]n1[C@@H](C)C1CC1 ZINC000593121536 479188884 /nfs/dbraw/zinc/18/88/84/479188884.db2.gz ATPWFVPOBVHUOF-NSHDSACASA-N 0 0 346.362 2.813 10 5 EFBERN Cc1ccc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)cc1 ZINC000596193250 479189652 /nfs/dbraw/zinc/18/96/52/479189652.db2.gz LRGGTOHRAVWVRU-CQSZACIVSA-N 0 0 325.368 2.996 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000599164803 479190151 /nfs/dbraw/zinc/19/01/51/479190151.db2.gz NUDTYDFKRWHZTI-FBSDJGSXSA-N 0 0 330.182 2.976 10 5 EFBERN O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4CC[C@@H](C3)[S@]4=O)c2c1 ZINC000599167370 479191406 /nfs/dbraw/zinc/19/14/06/479191406.db2.gz DPULNXIHWKLWFH-XXAQJILISA-N 0 0 331.397 2.633 10 5 EFBERN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556742101 479191688 /nfs/dbraw/zinc/19/16/88/479191688.db2.gz ZILCOHSQKHNHDO-DZGCQCFKSA-N 0 0 347.415 2.606 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596194352 479192363 /nfs/dbraw/zinc/19/23/63/479192363.db2.gz DMTBAYXUSYNQAU-GZMMTYOYSA-N 0 0 331.294 2.861 10 5 EFBERN Cc1cc(N2CCO[C@@H](CCF)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599168441 479192545 /nfs/dbraw/zinc/19/25/45/479192545.db2.gz DUMDJVDYEPBZRO-HNNXBMFYSA-N 0 0 346.362 2.925 10 5 EFBERN C/C=C\C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596197503 479192768 /nfs/dbraw/zinc/19/27/68/479192768.db2.gz RBGWIQRTOJCJRB-ZBJFTSOASA-N 0 0 328.752 2.774 10 5 EFBERN COc1cc(N2CCO[C@H](COC(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198414 479193305 /nfs/dbraw/zinc/19/33/05/479193305.db2.gz YMOWBHHQRQBYKF-NSHDSACASA-N 0 0 344.795 2.887 10 5 EFBERN C/C=C\C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596197502 479193478 /nfs/dbraw/zinc/19/34/78/479193478.db2.gz RBGWIQRTOJCJRB-TYRPZCRBSA-N 0 0 328.752 2.774 10 5 EFBERN Cn1c2cc(NC[C@]3(C)C[C@H]4C[C@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599172695 479194065 /nfs/dbraw/zinc/19/40/65/479194065.db2.gz RGLOHIVXKZPGDC-YQYWCBKUSA-N 0 0 330.388 2.633 10 5 EFBERN CC(C)(CNc1c(F)cc([N+](=O)[O-])cc1F)C(=O)N1CCCC1 ZINC000599170987 479194141 /nfs/dbraw/zinc/19/41/41/479194141.db2.gz TVCBOUDDYZMKMP-UHFFFAOYSA-N 0 0 327.331 2.934 10 5 EFBERN COc1cc(NCC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])cc1F ZINC000599170763 479194249 /nfs/dbraw/zinc/19/42/49/479194249.db2.gz QKCDWAPWGYVFDX-UHFFFAOYSA-N 0 0 339.367 2.803 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000596201191 479195166 /nfs/dbraw/zinc/19/51/66/479195166.db2.gz UBNDLIHHPUPDCO-UWVGGRQHSA-N 0 0 328.752 2.606 10 5 EFBERN CS(=O)(=O)c1ccnc(Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000584628212 479195733 /nfs/dbraw/zinc/19/57/33/479195733.db2.gz AWOWVNDCKOUTSP-UHFFFAOYSA-N 0 0 327.749 2.790 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599179371 479196526 /nfs/dbraw/zinc/19/65/26/479196526.db2.gz FNORYJOZTAXJNG-MEDUHNTESA-N 0 0 329.356 2.553 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CO[C@H](C2CC2)C1 ZINC000599179372 479197095 /nfs/dbraw/zinc/19/70/95/479197095.db2.gz FNORYJOZTAXJNG-ZBEGNZNMSA-N 0 0 329.356 2.553 10 5 EFBERN Cc1cc(N[C@@H]2CO[C@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599181911 479197872 /nfs/dbraw/zinc/19/78/72/479197872.db2.gz VCUVNZGVHYUEJW-HOCLYGCPSA-N 0 0 340.383 2.762 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H]2CO[C@@H](C3CC3)C2)c(Br)c1 ZINC000599180881 479197984 /nfs/dbraw/zinc/19/79/84/479197984.db2.gz NRDUWRVCVWXFRR-LDYMZIIASA-N 0 0 328.166 2.732 10 5 EFBERN CC(C)NC(=O)c1ccc(N[C@@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000599180527 479198082 /nfs/dbraw/zinc/19/80/82/479198082.db2.gz LDYDJMSRXDKHQX-BBRMVZONSA-N 0 0 333.388 2.712 10 5 EFBERN COCc1ccc(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1OC ZINC000599181973 479198523 /nfs/dbraw/zinc/19/85/23/479198523.db2.gz GHVLRNBQYIZDEC-UHFFFAOYSA-N 0 0 347.327 2.675 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599183479 479200176 /nfs/dbraw/zinc/20/01/76/479200176.db2.gz PCTKOZOGUWHUMN-KRWDZBQOSA-N 0 0 342.399 2.611 10 5 EFBERN Cc1cccc(NC[C@@H]2CN(Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599185433 479201306 /nfs/dbraw/zinc/20/13/06/479201306.db2.gz UWVAAENGIUMWEZ-MRXNPFEDSA-N 0 0 342.399 2.611 10 5 EFBERN Nc1ccc(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)nc1[N+](=O)[O-] ZINC000596215647 479203790 /nfs/dbraw/zinc/20/37/90/479203790.db2.gz FKEKSXUZJGCSTC-KOLCDFICSA-N 0 0 336.298 2.563 10 5 EFBERN COc1cc(NCc2ccc(C)n(C)c2=O)c(Cl)cc1[N+](=O)[O-] ZINC000596213895 479204333 /nfs/dbraw/zinc/20/43/33/479204333.db2.gz JSWTZZQZWZNLEJ-UHFFFAOYSA-N 0 0 337.763 2.876 10 5 EFBERN COc1ccc([C@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)cc1F ZINC000599193975 479204569 /nfs/dbraw/zinc/20/45/69/479204569.db2.gz HSRHAUGGMSCCNQ-NSHDSACASA-N 0 0 333.319 2.837 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]nc1C1CC1 ZINC000584691944 479204635 /nfs/dbraw/zinc/20/46/35/479204635.db2.gz CJAMEDLHRDSPQX-UHFFFAOYSA-N 0 0 339.355 2.649 10 5 EFBERN C[NH+](C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000556783100 479204989 /nfs/dbraw/zinc/20/49/89/479204989.db2.gz QNNNJQCUEOYZFL-MRXNPFEDSA-N 0 0 335.404 2.541 10 5 EFBERN COc1cc(NCCNc2cc(C)nn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596216981 479205926 /nfs/dbraw/zinc/20/59/26/479205926.db2.gz IUXIUWQFTCMCKI-UHFFFAOYSA-N 0 0 339.783 2.823 10 5 EFBERN CCC(=O)c1ccc(N[C@@H]2CCN(C3CCC3)C2=O)c([N+](=O)[O-])c1 ZINC000599206137 479207849 /nfs/dbraw/zinc/20/78/49/479207849.db2.gz KRGLRNBOMAMSQB-CQSZACIVSA-N 0 0 331.372 2.753 10 5 EFBERN CO[C@H]1C[C@@H](CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000599206923 479209978 /nfs/dbraw/zinc/20/99/78/479209978.db2.gz RKDUKEJKZWPDKH-JNSHFYNHSA-N 0 0 328.372 2.619 10 5 EFBERN O=c1[nH]ccc(N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000596231035 479212311 /nfs/dbraw/zinc/21/23/11/479212311.db2.gz FVFHQYWWQUHSDF-HAQNSBGRSA-N 0 0 329.360 2.926 10 5 EFBERN COc1cc(NCCC2(O)CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596231614 479212410 /nfs/dbraw/zinc/21/24/10/479212410.db2.gz QSTNZNAYRLPGEP-UHFFFAOYSA-N 0 0 330.768 2.600 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000596229749 479212856 /nfs/dbraw/zinc/21/28/56/479212856.db2.gz FLSWNCFFQUYKCJ-SECBINFHSA-N 0 0 328.752 2.650 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000596230617 479212981 /nfs/dbraw/zinc/21/29/81/479212981.db2.gz AMVCPUMDJMTUIG-VIFPVBQESA-N 0 0 330.768 2.711 10 5 EFBERN CC[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@H](C)[S@]1=O ZINC000596233609 479214935 /nfs/dbraw/zinc/21/49/35/479214935.db2.gz YLSXFMNQVARYRO-UIBAUYSRSA-N 0 0 346.836 2.993 10 5 EFBERN Cc1nc(C(C)C)oc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596240366 479219320 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EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596255629 479227373 /nfs/dbraw/zinc/22/73/73/479227373.db2.gz VJGBZYNMWAJAEE-BXKDBHETSA-N 0 0 342.779 2.896 10 5 EFBERN O=C(N[C@@H]1CC2CCC1CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610896728 479228021 /nfs/dbraw/zinc/22/80/21/479228021.db2.gz XRSOSEOURRKNCM-QIMFLAQGSA-N 0 0 332.356 2.675 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C(C)C)C(C)C ZINC000610898519 479228368 /nfs/dbraw/zinc/22/83/68/479228368.db2.gz GUFDASSNAUKHQC-UHFFFAOYSA-N 0 0 330.406 2.562 10 5 EFBERN COc1cc(N(C)C2CCN(OC)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596261067 479229757 /nfs/dbraw/zinc/22/97/57/479229757.db2.gz QSCNHMOJSDGEGG-UHFFFAOYSA-N 0 0 329.784 2.719 10 5 EFBERN CS(=O)(=O)CC1(CSCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000593189877 479230589 /nfs/dbraw/zinc/23/05/89/479230589.db2.gz BACWTKMXTPGAIA-UHFFFAOYSA-N 0 0 345.442 2.749 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2nnc(C)s2)c1 ZINC000593190234 479230913 /nfs/dbraw/zinc/23/09/13/479230913.db2.gz HQSYIZQJDHEGBK-UHFFFAOYSA-N 0 0 339.398 2.975 10 5 EFBERN CN(C[C@H]1CCCO1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599273715 479231042 /nfs/dbraw/zinc/23/10/42/479231042.db2.gz HKRKRMMCWPXVDN-SECBINFHSA-N 0 0 343.177 2.608 10 5 EFBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCO[C@@H](C)C1 ZINC000596278350 479234796 /nfs/dbraw/zinc/23/47/96/479234796.db2.gz PPJUVVGDPMPHPX-KBPBESRZSA-N 0 0 331.372 2.671 10 5 EFBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1CCC[C@H]1CCOC1 ZINC000596279031 479236005 /nfs/dbraw/zinc/23/60/05/479236005.db2.gz TXMKHIBQLHHZOB-AWEZNQCLSA-N 0 0 331.372 2.672 10 5 EFBERN CC(C)(C)CC(=O)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610928951 479236004 /nfs/dbraw/zinc/23/60/04/479236004.db2.gz VAHIQGLGSCQLJU-UHFFFAOYSA-N 0 0 340.811 2.728 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3C)CCC2)n1 ZINC000593199082 479236128 /nfs/dbraw/zinc/23/61/28/479236128.db2.gz FGZXTYDJICLXKB-UHFFFAOYSA-N 0 0 328.372 2.929 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556924153 479237483 /nfs/dbraw/zinc/23/74/83/479237483.db2.gz HLZLCXOBXBYNFI-RYUDHWBXSA-N 0 0 326.418 2.520 10 5 EFBERN CC(=O)C(C)(C)CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000610939910 479238278 /nfs/dbraw/zinc/23/82/78/479238278.db2.gz IUBVBWSCMLAELP-UHFFFAOYSA-N 0 0 347.415 2.639 10 5 EFBERN CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2c(=O)ccn2C)cc1OC ZINC000596285002 479238698 /nfs/dbraw/zinc/23/86/98/479238698.db2.gz FSGZFJBVRWGZTL-GFCCVEGCSA-N 0 0 349.387 2.577 10 5 EFBERN COc1cc(N2CCO[C@@]3(CCSC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596286507 479238857 /nfs/dbraw/zinc/23/88/57/479238857.db2.gz LNSFLNOFBQBGAG-AWEZNQCLSA-N 0 0 344.820 2.969 10 5 EFBERN COc1cc(N2CCO[C@]3(CCSC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596286508 479238909 /nfs/dbraw/zinc/23/89/09/479238909.db2.gz LNSFLNOFBQBGAG-CQSZACIVSA-N 0 0 344.820 2.969 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@]2(CCSC2)C1 ZINC000584776711 479238910 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O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593216091 479243854 /nfs/dbraw/zinc/24/38/54/479243854.db2.gz UJLWYZVSLSTKES-UHFFFAOYSA-N 0 0 343.339 2.592 10 5 EFBERN CCc1cc(CCCOc2cccc(C(=O)OC)c2[N+](=O)[O-])on1 ZINC000596299503 479243943 /nfs/dbraw/zinc/24/39/43/479243943.db2.gz LDIYUSHMACJHLV-UHFFFAOYSA-N 0 0 334.328 2.943 10 5 EFBERN Cn1c(C(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000593219341 479245180 /nfs/dbraw/zinc/24/51/80/479245180.db2.gz QCQTUBFRCXBKIV-QGZVFWFLSA-N 0 0 331.347 2.876 10 5 EFBERN COC1(C[C@H]2NC(=O)N([C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000593224115 479249540 /nfs/dbraw/zinc/24/95/40/479249540.db2.gz BOHWUUJTWTZNQQ-SMDDNHRTSA-N 0 0 347.371 2.535 10 5 EFBERN CCOC(=O)CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610981715 479250847 /nfs/dbraw/zinc/25/08/47/479250847.db2.gz HYJDPMZMNANCPB-UHFFFAOYSA-N 0 0 348.399 2.719 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(CNC(C)=O)cc1 ZINC000596316515 479251747 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EFBERN O=[N+]([O-])c1ccc(N2CC[C@@H](O)C(F)(F)C2)nc1-c1ccccc1 ZINC000596432443 479293086 /nfs/dbraw/zinc/29/30/86/479293086.db2.gz PJAGULDELYIQFJ-CYBMUJFWSA-N 0 0 335.310 2.863 10 5 EFBERN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593321629 479293638 /nfs/dbraw/zinc/29/36/38/479293638.db2.gz FTTVPUFXXCLPNO-LBPRGKRZSA-N 0 0 349.387 2.716 10 5 EFBERN COC(=O)c1cc(N2CC3(CCC3)OC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596435259 479294465 /nfs/dbraw/zinc/29/44/65/479294465.db2.gz BYRVXLJELCGWOC-GFCCVEGCSA-N 0 0 334.372 2.838 10 5 EFBERN CCO[C@H]1C[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000596439282 479295680 /nfs/dbraw/zinc/29/56/80/479295680.db2.gz CORYTMGVQPLNDG-CTYIDZIISA-N 0 0 328.372 2.762 10 5 EFBERN CC[C@@H](CC(F)(F)F)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000557630155 479295711 /nfs/dbraw/zinc/29/57/11/479295711.db2.gz FTYMMFRXPIJRKP-ZETCQYMHSA-N 0 0 330.266 2.808 10 5 EFBERN C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611147043 479295745 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COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000557647349 479298651 /nfs/dbraw/zinc/29/86/51/479298651.db2.gz ZJKCSUKKUJHTME-ZIAGYGMSSA-N 0 0 348.399 2.943 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1C[C@@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000596452447 479300217 /nfs/dbraw/zinc/30/02/17/479300217.db2.gz DFYZCONZXDHXCO-SOUVJXGZSA-N 0 0 333.388 2.649 10 5 EFBERN CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000596453680 479300365 /nfs/dbraw/zinc/30/03/65/479300365.db2.gz JUXCXVBZFHBSDX-HIFRSBDPSA-N 0 0 334.420 2.700 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[C@@H]1CC=CCC1 ZINC000599445070 479300557 /nfs/dbraw/zinc/30/05/57/479300557.db2.gz JVOGVDVZBVKARZ-CQSZACIVSA-N 0 0 338.429 2.803 10 5 EFBERN CC[C@H](NC(=O)N(C)Cc1nnc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000596453156 479300616 /nfs/dbraw/zinc/30/06/16/479300616.db2.gz GYLYOZHAAOVKRC-ZDUSSCGKSA-N 0 0 333.348 2.579 10 5 EFBERN CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000596453681 479300848 /nfs/dbraw/zinc/30/08/48/479300848.db2.gz JUXCXVBZFHBSDX-UKRRQHHQSA-N 0 0 334.420 2.700 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000596454699 479301748 /nfs/dbraw/zinc/30/17/48/479301748.db2.gz OCFFLXJZEXKJJM-TUKIKUTGSA-N 0 0 333.388 2.567 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@](O)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456160 479302836 /nfs/dbraw/zinc/30/28/36/479302836.db2.gz ZIZQQHDTGWNYKO-SJLPKXTDSA-N 0 0 347.415 2.992 10 5 EFBERN CCOc1ccc(NC(=O)CN2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179598 479303044 /nfs/dbraw/zinc/30/30/44/479303044.db2.gz FQOYJMUOOYDSJI-SNVBAGLBSA-N 0 0 343.330 2.519 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2(C1)CC(F)(F)C2 ZINC000611180047 479303076 /nfs/dbraw/zinc/30/30/76/479303076.db2.gz QJEGDHCUEKRQSX-JTQLQIEISA-N 0 0 325.315 2.653 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N2CC[C@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611179876 479303670 /nfs/dbraw/zinc/30/36/70/479303670.db2.gz MLIMBMOXPYHPMM-QWRGUYRKSA-N 0 0 327.331 2.817 10 5 EFBERN O=[N+]([O-])c1cc(CN2CC3(C2)CC(F)(F)C3)c2c(c1)COCO2 ZINC000611180320 479305428 /nfs/dbraw/zinc/30/54/28/479305428.db2.gz BNQSITPZELVTIA-UHFFFAOYSA-N 0 0 326.299 2.692 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@](O)(C3CC3)C2)c(C(F)(F)F)c1 ZINC000596463670 479305688 /nfs/dbraw/zinc/30/56/88/479305688.db2.gz OYPSCIYTVNLMOH-CYBMUJFWSA-N 0 0 331.294 2.750 10 5 EFBERN Cc1sc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000599460111 479305802 /nfs/dbraw/zinc/30/58/02/479305802.db2.gz STKMEAPFXOZILG-VHSXEESVSA-N 0 0 344.439 2.861 10 5 EFBERN C[C@H]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000596463507 479305980 /nfs/dbraw/zinc/30/59/80/479305980.db2.gz DRJZEAYCLDRIID-WDEREUQCSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@@H]1CC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CS1(=O)=O ZINC000596467321 479306698 /nfs/dbraw/zinc/30/66/98/479306698.db2.gz WTNXAVXZDSFOMM-MNOVXSKESA-N 0 0 335.385 2.521 10 5 EFBERN CCC(=O)c1ccc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000596466236 479306899 /nfs/dbraw/zinc/30/68/99/479306899.db2.gz PSNLIJLJFNKCGA-ZYHUDNBSSA-N 0 0 340.401 2.565 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)n1 ZINC000593352071 479306908 /nfs/dbraw/zinc/30/69/08/479306908.db2.gz BZPGQDBMPSLRKZ-NSHDSACASA-N 0 0 346.362 2.752 10 5 EFBERN CCC(=O)c1ccc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000596466235 479307158 /nfs/dbraw/zinc/30/71/58/479307158.db2.gz PSNLIJLJFNKCGA-PWSUYJOCSA-N 0 0 340.401 2.565 10 5 EFBERN Cc1cc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596467424 479307700 /nfs/dbraw/zinc/30/77/00/479307700.db2.gz XZRSXOGBFGOOGM-VXGBXAGGSA-N 0 0 349.412 2.829 10 5 EFBERN C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000596468247 479307721 /nfs/dbraw/zinc/30/77/21/479307721.db2.gz CYSLZFDODRLALW-WOFXILAISA-N 0 0 329.194 2.810 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CS1(=O)=O 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/nfs/dbraw/zinc/31/70/76/479317076.db2.gz ISHFFBLKQYJDLJ-UHFFFAOYSA-N 0 0 344.776 2.503 10 5 EFBERN COC(=O)C[C@@H](CNc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000596494346 479317368 /nfs/dbraw/zinc/31/73/68/479317368.db2.gz XUWDPZGRNNENEV-JTQLQIEISA-N 0 0 326.324 2.744 10 5 EFBERN CSc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccn1 ZINC000611231035 479317459 /nfs/dbraw/zinc/31/74/59/479317459.db2.gz YBUYJJZJHMUCJA-UHFFFAOYSA-N 0 0 347.352 2.735 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000596494571 479317461 /nfs/dbraw/zinc/31/74/61/479317461.db2.gz QPUHXBKOCYVTKD-OLZOCXBDSA-N 0 0 335.404 2.737 10 5 EFBERN Cn1ncc(C2CCC2)c1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000596501502 479319047 /nfs/dbraw/zinc/31/90/47/479319047.db2.gz IKPDLHDYLGSXHW-UHFFFAOYSA-N 0 0 332.389 2.917 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCCC12CC2 ZINC000599519458 479320447 /nfs/dbraw/zinc/32/04/47/479320447.db2.gz BLOGMYXIKNDWRP-AWEZNQCLSA-N 0 0 338.429 2.637 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC1CCC(O)CC1 ZINC000596512435 479323243 /nfs/dbraw/zinc/32/32/43/479323243.db2.gz FDAVDGVNQDTMCY-UHFFFAOYSA-N 0 0 331.372 2.537 10 5 EFBERN Cc1cc([C@@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)c(O)cc1Cl ZINC000596512365 479323250 /nfs/dbraw/zinc/32/32/50/479323250.db2.gz UTMLGNPMOXSUNE-SNVBAGLBSA-N 0 0 336.779 2.990 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000596513334 479323554 /nfs/dbraw/zinc/32/35/54/479323554.db2.gz VJHMNQZNBBIIPC-NSHDSACASA-N 0 0 333.266 2.780 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596514783 479324435 /nfs/dbraw/zinc/32/44/35/479324435.db2.gz JZVUULAWLWPEIJ-LLVKDONJSA-N 0 0 344.371 2.782 10 5 EFBERN Cc1cc(NCC2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596515067 479324452 /nfs/dbraw/zinc/32/44/52/479324452.db2.gz NQZKFZCZDGLBGT-UHFFFAOYSA-N 0 0 342.399 2.745 10 5 EFBERN CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1ccccc1[N+](=O)[O-] ZINC000599545543 479326200 /nfs/dbraw/zinc/32/62/00/479326200.db2.gz RSPQQIUTVLCLRQ-INIZCTEOSA-N 0 0 330.340 2.850 10 5 EFBERN Nc1c(C(=O)N2CCC(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000611258246 479326597 /nfs/dbraw/zinc/32/65/97/479326597.db2.gz AMMOXEPDTWFOAA-UHFFFAOYSA-N 0 0 326.356 2.592 10 5 EFBERN CC(C)[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C1CC1 ZINC000596523459 479327029 /nfs/dbraw/zinc/32/70/29/479327029.db2.gz VPQVAVMMVWJDDY-HNNXBMFYSA-N 0 0 341.433 2.692 10 5 EFBERN CC(C)(C)N1C[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1=O ZINC000596523266 479327172 /nfs/dbraw/zinc/32/71/72/479327172.db2.gz YKUVOTMVXBYEHK-GFCCVEGCSA-N 0 0 346.431 2.928 10 5 EFBERN CC(C)(C)N1C[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1=O ZINC000596523267 479327298 /nfs/dbraw/zinc/32/72/98/479327298.db2.gz YKUVOTMVXBYEHK-LBPRGKRZSA-N 0 0 346.431 2.928 10 5 EFBERN CC(C)[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C1CC1 ZINC000596523461 479327394 /nfs/dbraw/zinc/32/73/94/479327394.db2.gz VPQVAVMMVWJDDY-OAHLLOKOSA-N 0 0 341.433 2.692 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](F)C1 ZINC000593405851 479327297 /nfs/dbraw/zinc/32/72/97/479327297.db2.gz BABRZMKAHINFCC-GFCCVEGCSA-N 0 0 334.351 2.762 10 5 EFBERN CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000599547953 479327622 /nfs/dbraw/zinc/32/76/22/479327622.db2.gz GXHZDZIPDGTYCL-INIZCTEOSA-N 0 0 330.340 2.850 10 5 EFBERN Cc1c(Br)c(N2CC[C@H]3COC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000596530610 479329553 /nfs/dbraw/zinc/32/95/53/479329553.db2.gz UQPSNQHSFMVRIZ-VHSXEESVSA-N 0 0 342.193 2.533 10 5 EFBERN CCc1cc(N2CCC3(COC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596531603 479331116 /nfs/dbraw/zinc/33/11/16/479331116.db2.gz VRNBTTRABRBLTI-UHFFFAOYSA-N 0 0 340.383 2.841 10 5 EFBERN Cc1cc(NCCN2C[C@H]3CCCCN3C2=O)c(F)cc1[N+](=O)[O-] ZINC000596535882 479332028 /nfs/dbraw/zinc/33/20/28/479332028.db2.gz VBNKDZQAINHMIE-GFCCVEGCSA-N 0 0 336.367 2.744 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596535032 479332316 /nfs/dbraw/zinc/33/23/16/479332316.db2.gz FEDDAHLDBBUKPN-CQSZACIVSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596538368 479333368 /nfs/dbraw/zinc/33/33/68/479333368.db2.gz RIWVPEZJRUNUHS-ZDUSSCGKSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000596537737 479333569 /nfs/dbraw/zinc/33/35/69/479333569.db2.gz MNOPNHFNELDXLM-ZDUSSCGKSA-N 0 0 342.399 2.884 10 5 EFBERN CNC(=O)c1ccc(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c([N+](=O)[O-])c1 ZINC000596540611 479334191 /nfs/dbraw/zinc/33/41/91/479334191.db2.gz RMBZXTRLRYDTDC-XOKHGSTOSA-N 0 0 341.342 2.844 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596542751 479334401 /nfs/dbraw/zinc/33/44/01/479334401.db2.gz HPDCQHSDTJYHDE-CYBMUJFWSA-N 0 0 325.368 2.860 10 5 EFBERN COC(=O)c1cnc(N(C)C[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000596542821 479334610 /nfs/dbraw/zinc/33/46/10/479334610.db2.gz JGBLTANQFGZNSJ-ZDUSSCGKSA-N 0 0 341.367 2.943 10 5 EFBERN CCOC(=O)C12CC(C1)CN2c1ccc2ncccc2c1[N+](=O)[O-] ZINC000596542582 479334745 /nfs/dbraw/zinc/33/47/45/479334745.db2.gz GNZHKXSNNSWWIK-UHFFFAOYSA-N 0 0 327.340 2.675 10 5 EFBERN Cc1cccc2c1CCC[C@@H]2Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596544974 479335246 /nfs/dbraw/zinc/33/52/46/479335246.db2.gz UFLYDEBCXLSDPZ-HNNXBMFYSA-N 0 0 326.356 2.887 10 5 EFBERN CC(C)NC(=O)c1ccc(NC[C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000596546777 479335446 /nfs/dbraw/zinc/33/54/46/479335446.db2.gz UXSCXDBFSVPGAY-CYBMUJFWSA-N 0 0 335.404 2.960 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)[C@@H](C)c2ccccc2)c1 ZINC000596547885 479335496 /nfs/dbraw/zinc/33/54/96/479335496.db2.gz MJVPXVNIFSUVGB-YVEFUNNKSA-N 0 0 344.367 2.958 10 5 EFBERN NC(=O)CC1(CNc2nc3sccn3c2[N+](=O)[O-])CCCCC1 ZINC000596544920 479335536 /nfs/dbraw/zinc/33/55/36/479335536.db2.gz RIOYHWBNIBMUEY-UHFFFAOYSA-N 0 0 337.405 2.542 10 5 EFBERN CC(=O)c1ccc2c(c1)oc(=O)n2CCOc1cccc([N+](=O)[O-])c1 ZINC000585814373 479335745 /nfs/dbraw/zinc/33/57/45/479335745.db2.gz FTJVNFIUIKAAME-UHFFFAOYSA-N 0 0 342.307 2.784 10 5 EFBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](CC(F)(F)F)O1 ZINC000596553049 479337467 /nfs/dbraw/zinc/33/74/67/479337467.db2.gz DDPROUBJJVQUKS-JGVFFNPUSA-N 0 0 337.273 2.862 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](c2ccccc2)[C@H](C)O)c1[N+](=O)[O-] ZINC000596566773 479342205 /nfs/dbraw/zinc/34/22/05/479342205.db2.gz MHEZYNXMBBWUFO-FZMZJTMJSA-N 0 0 345.355 2.701 10 5 EFBERN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596571955 479344005 /nfs/dbraw/zinc/34/40/05/479344005.db2.gz BRPGYYZAOQGXGY-JMCQJSRRSA-N 0 0 332.332 2.553 10 5 EFBERN COc1cc(N2C[C@@H](C)O[C@](C)(C(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000596572815 479344173 /nfs/dbraw/zinc/34/41/73/479344173.db2.gz GPGMZLJXPQPXEX-CLAHSXSESA-N 0 0 334.294 2.991 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000596573244 479344303 /nfs/dbraw/zinc/34/43/03/479344303.db2.gz JZKBENJDNZTLTN-PSLIRLAXSA-N 0 0 344.314 2.630 10 5 EFBERN CC12CC(C1)CN2c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000596574272 479345012 /nfs/dbraw/zinc/34/50/12/479345012.db2.gz HBXPZZRNXMXQTB-UHFFFAOYSA-N 0 0 346.774 2.783 10 5 EFBERN CC(C)Oc1nc(N2CCO[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596575476 479345073 /nfs/dbraw/zinc/34/50/73/479345073.db2.gz VKOBPVJFKRALPC-CQSZACIVSA-N 0 0 331.319 2.637 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(N2CC3CC2(C)C3)c([N+](=O)[O-])c1 ZINC000596574270 479345388 /nfs/dbraw/zinc/34/53/88/479345388.db2.gz HBADPXXDNLNYEH-UHFFFAOYSA-N 0 0 326.356 2.548 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C(F)(F)F ZINC000599595956 479346565 /nfs/dbraw/zinc/34/65/65/479346565.db2.gz KVMXKWCRDJDYOI-LBPRGKRZSA-N 0 0 347.293 2.569 10 5 EFBERN CC(C)C(=O)NC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456002 479348091 /nfs/dbraw/zinc/34/80/91/479348091.db2.gz YPUNFBQLCKMHAG-UHFFFAOYSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)(CNc1ccnc2cc([N+](=O)[O-])ccc21)N1CCOCC1 ZINC000593458203 479350148 /nfs/dbraw/zinc/35/01/48/479350148.db2.gz JXIDHGGWQBYVKF-UHFFFAOYSA-N 0 0 330.388 2.666 10 5 EFBERN CC[C@](C)(NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000596588446 479350341 /nfs/dbraw/zinc/35/03/41/479350341.db2.gz SMWWRUZILGQSPR-INIZCTEOSA-N 0 0 331.376 2.849 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000586777295 479350658 /nfs/dbraw/zinc/35/06/58/479350658.db2.gz KPNHIRPFZDDKPO-PRHODGIISA-N 0 0 344.293 2.623 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)n1 ZINC000611334840 479350851 /nfs/dbraw/zinc/35/08/51/479350851.db2.gz LAVXVLCVOSQJJL-UHFFFAOYSA-N 0 0 332.404 2.665 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@]23CCCC[C@H]2C3(F)F)n1 ZINC000596592244 479351541 /nfs/dbraw/zinc/35/15/41/479351541.db2.gz MOQQZORQKALXHA-AMIZOPFISA-N 0 0 339.302 2.746 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000593464518 479353397 /nfs/dbraw/zinc/35/33/97/479353397.db2.gz KVBAEAWREYNITP-IRXDYDNUSA-N 0 0 329.356 2.527 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@H](Cn2ccnn2)C1 ZINC000593467015 479353813 /nfs/dbraw/zinc/35/38/13/479353813.db2.gz LTBQREGRMJIJHV-ZDUSSCGKSA-N 0 0 338.371 2.651 10 5 EFBERN COc1ccc(CN2Cc3c[nH]nc3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000596598083 479353880 /nfs/dbraw/zinc/35/38/80/479353880.db2.gz ADVDYGTYAVOMNL-UHFFFAOYSA-N 0 0 330.388 2.911 10 5 EFBERN CC(C)(C)N1C[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593466556 479354474 /nfs/dbraw/zinc/35/44/74/479354474.db2.gz YBBQVDIVYQMVLG-NSHDSACASA-N 0 0 328.372 2.954 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(O[C@H]2CCOC2)CC1 ZINC000593468247 479355149 /nfs/dbraw/zinc/35/51/49/479355149.db2.gz PTRSCFRFDIZLDR-HNNXBMFYSA-N 0 0 343.383 2.917 10 5 EFBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCOC2)O1 ZINC000593468406 479355419 /nfs/dbraw/zinc/35/54/19/479355419.db2.gz HAULVZLBCFWCKD-SJKOYZFVSA-N 0 0 329.356 2.527 10 5 EFBERN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC2(CCOCC2)O1 ZINC000593468684 479355425 /nfs/dbraw/zinc/35/54/25/479355425.db2.gz KCAXWSBLZTZBSN-ZDUSSCGKSA-N 0 0 343.383 2.917 10 5 EFBERN C[C@H]1OCC[C@@]12CN(c1ccnc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000593471319 479356496 /nfs/dbraw/zinc/35/64/96/479356496.db2.gz VUTGSLHXUYIDNJ-SJKOYZFVSA-N 0 0 329.356 2.527 10 5 EFBERN C[C@@H](C(=O)NC(C)(C)C)N(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593469667 479356626 /nfs/dbraw/zinc/35/66/26/479356626.db2.gz GQXMXUVODFBJFZ-NSHDSACASA-N 0 0 330.388 2.882 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@]2(CCCOC2)C1 ZINC000593474343 479357397 /nfs/dbraw/zinc/35/73/97/479357397.db2.gz CYDPHCFBEKMNFR-QGZVFWFLSA-N 0 0 329.356 2.529 10 5 EFBERN COCC1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC000593472919 479357759 /nfs/dbraw/zinc/35/77/59/479357759.db2.gz LHVFIIMGBZBGNN-UHFFFAOYSA-N 0 0 331.372 2.998 10 5 EFBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@]2(CCCOC2)O1 ZINC000593474248 479357799 /nfs/dbraw/zinc/35/77/99/479357799.db2.gz LZLZZXNXVXEWQH-ACJLOTCBSA-N 0 0 343.383 2.917 10 5 EFBERN O=C([C@@H]1C[C@@H]1C1CCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593475458 479358520 /nfs/dbraw/zinc/35/85/20/479358520.db2.gz FTTUIIQFRWPBCB-NUEKZKHPSA-N 0 0 344.415 2.829 10 5 EFBERN O=C([C@@H]1C[C@H]1C1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593475459 479358768 /nfs/dbraw/zinc/35/87/68/479358768.db2.gz FTTUIIQFRWPBCB-VNQPRFMTSA-N 0 0 344.415 2.829 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@@]2(CCSC2)C1 ZINC000593479135 479359894 /nfs/dbraw/zinc/35/98/94/479359894.db2.gz YXANZKDUJTVXOQ-INIZCTEOSA-N 0 0 331.397 2.855 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000596618888 479360232 /nfs/dbraw/zinc/36/02/32/479360232.db2.gz DMQRGZWAURPNMV-VXGBXAGGSA-N 0 0 348.277 2.517 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599631093 479360674 /nfs/dbraw/zinc/36/06/74/479360674.db2.gz XDZFXMLHUWUETM-YUELXQCFSA-N 0 0 338.429 2.616 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599631083 479361005 /nfs/dbraw/zinc/36/10/05/479361005.db2.gz XDZFXMLHUWUETM-CFVMTHIKSA-N 0 0 338.429 2.616 10 5 EFBERN COc1cc(-c2nc(-c3nc(C)c(C)[nH]3)no2)cc([N+](=O)[O-])c1C ZINC000596620896 479361065 /nfs/dbraw/zinc/36/10/65/479361065.db2.gz IEJCHRVVIXBIJJ-UHFFFAOYSA-N 0 0 329.316 2.969 10 5 EFBERN CCc1nn(C)c(N2CCC(c3ccc(OC)cn3)CC2)c1[N+](=O)[O-] ZINC000593482742 479361284 /nfs/dbraw/zinc/36/12/84/479361284.db2.gz ZUBVWEMYBLVFSN-UHFFFAOYSA-N 0 0 345.403 2.678 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000593483525 479361524 /nfs/dbraw/zinc/36/15/24/479361524.db2.gz ZIQLBEGEINGFAH-LKFCYVNXSA-N 0 0 341.289 2.893 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@]2(CO)CCc3ccccc32)nc2sccn21 ZINC000593483109 479361607 /nfs/dbraw/zinc/36/16/07/479361607.db2.gz BCXQFKSAXYMXRQ-MRXNPFEDSA-N 0 0 344.396 2.592 10 5 EFBERN C[C@@H](NC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1ccccc1[N+](=O)[O-] ZINC000611375988 479361633 /nfs/dbraw/zinc/36/16/33/479361633.db2.gz SRTPICSYOVLSLC-OLZOCXBDSA-N 0 0 343.387 2.968 10 5 EFBERN O=C1[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]2CCCCN12 ZINC000593482430 479361662 /nfs/dbraw/zinc/36/16/62/479361662.db2.gz OWBOVCYLDGGWND-MEDUHNTESA-N 0 0 326.356 2.708 10 5 EFBERN COc1cc(NC[C@@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000593484039 479362128 /nfs/dbraw/zinc/36/21/28/479362128.db2.gz LTAIMHQNVYUEHZ-GOSISDBHSA-N 0 0 328.368 2.892 10 5 EFBERN CN1CCCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000586835982 479362460 /nfs/dbraw/zinc/36/24/60/479362460.db2.gz UDFCMKBHJIYZDB-LBPRGKRZSA-N 0 0 342.193 2.780 10 5 EFBERN C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000611385512 479363917 /nfs/dbraw/zinc/36/39/17/479363917.db2.gz KSTVHWZFDYBPGZ-RISCZKNCSA-N 0 0 339.351 2.898 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](C2CC2)C2CCOCC2)c1[N+](=O)[O-] ZINC000593494042 479365215 /nfs/dbraw/zinc/36/52/15/479365215.db2.gz YBUYXPITQWXITF-CQSZACIVSA-N 0 0 349.387 2.784 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000596633742 479365598 /nfs/dbraw/zinc/36/55/98/479365598.db2.gz ABNCNWOQAOBMLU-CYBMUJFWSA-N 0 0 348.403 2.672 10 5 EFBERN Cc1c(NC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cccc1[N+](=O)[O-] ZINC000596636804 479366089 /nfs/dbraw/zinc/36/60/89/479366089.db2.gz VHYXNANXYFMIMI-ZDUSSCGKSA-N 0 0 348.403 2.672 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCC4(CC3)C(F)(F)C4(F)F)nn21 ZINC000593495654 479366335 /nfs/dbraw/zinc/36/63/35/479366335.db2.gz VGHLGQMTNVYKFP-UHFFFAOYSA-N 0 0 345.256 2.508 10 5 EFBERN COC(=O)C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000596635154 479366388 /nfs/dbraw/zinc/36/63/88/479366388.db2.gz HRJNARBLNAMKPE-GFCCVEGCSA-N 0 0 335.360 2.614 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCC(Cn3cnnc3)CC2)c1 ZINC000593501935 479367933 /nfs/dbraw/zinc/36/79/33/479367933.db2.gz LJIAZAXTZSMDMZ-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN CCc1nc(C)c(CN[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)o1 ZINC000599650125 479367853 /nfs/dbraw/zinc/36/78/53/479367853.db2.gz FXHXEGINIZDNKD-KRWDZBQOSA-N 0 0 347.371 2.632 10 5 EFBERN C[C@@H]1C[C@H]1c1noc(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000593500615 479368368 /nfs/dbraw/zinc/36/83/68/479368368.db2.gz DVJRYBQDYGEJCS-BXUZGUMPSA-N 0 0 343.387 2.955 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2N1CCC(Cn2cnnc2)CC1 ZINC000593500974 479368713 /nfs/dbraw/zinc/36/87/13/479368713.db2.gz FSYPRDRMSZSJEV-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN O=[N+]([O-])c1cccc2c(N3CCC(Cn4cnnc4)CC3)ccnc21 ZINC000593500344 479368745 /nfs/dbraw/zinc/36/87/45/479368745.db2.gz AUMVICXTFJWWJA-UHFFFAOYSA-N 0 0 338.371 2.651 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]2CCC[C@H]21 ZINC000599649878 479368893 /nfs/dbraw/zinc/36/88/93/479368893.db2.gz DTFMGYZQOPOKTF-ARFHVFGLSA-N 0 0 348.399 2.767 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H]2CCc3cncn3C2)cc1[N+](=O)[O-] ZINC000587056695 479369384 /nfs/dbraw/zinc/36/93/84/479369384.db2.gz MFPMRTOXBMUGKJ-ZDUSSCGKSA-N 0 0 328.372 2.660 10 5 EFBERN C[C@@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1)S(C)(=O)=O ZINC000596646584 479370264 /nfs/dbraw/zinc/37/02/64/479370264.db2.gz SXPHSMCHPWFZEZ-LBPRGKRZSA-N 0 0 349.408 2.902 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)Cc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000593507858 479370393 /nfs/dbraw/zinc/37/03/93/479370393.db2.gz NQBCYQTVSISUBK-ZDUSSCGKSA-N 0 0 342.399 2.856 10 5 EFBERN Nc1cc(NCC2(c3ccc(F)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587300240 479370618 /nfs/dbraw/zinc/37/06/18/479370618.db2.gz SYTKSYNJTXTGNN-UHFFFAOYSA-N 0 0 331.347 2.952 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2cccc(N3CCOCC3)c2)c1 ZINC000596647713 479371174 /nfs/dbraw/zinc/37/11/74/479371174.db2.gz VWTMJIDLLDUDLH-UHFFFAOYSA-N 0 0 328.368 2.633 10 5 EFBERN CCc1cc(-c2cc([N+](=O)[O-])ccc2CCO)cc2c1NC(=O)C2 ZINC000596647868 479371428 /nfs/dbraw/zinc/37/14/28/479371428.db2.gz XLAAJDCHSLAYFS-UHFFFAOYSA-N 0 0 326.352 2.854 10 5 EFBERN O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596648396 479371639 /nfs/dbraw/zinc/37/16/39/479371639.db2.gz AYWUMDZETGHKSD-KFWWJZLASA-N 0 0 329.400 2.680 10 5 EFBERN Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000587416219 479371574 /nfs/dbraw/zinc/37/15/74/479371574.db2.gz SKXRDTLNEXRLPS-SKDRFNHKSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1c(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000587426072 479371616 /nfs/dbraw/zinc/37/16/16/479371616.db2.gz ZQJOWPRCNPMIRC-UFBFGSQYSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc(NCCC2(CO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593511946 479371603 /nfs/dbraw/zinc/37/16/03/479371603.db2.gz HHRYUXCVOCDRLA-UHFFFAOYSA-N 0 0 342.399 2.747 10 5 EFBERN CCc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000587434187 479371977 /nfs/dbraw/zinc/37/19/77/479371977.db2.gz OTMJXHGAYQUCEJ-NOZJJQNGSA-N 0 0 346.305 2.949 10 5 EFBERN C[C@H](COc1cccc(F)c1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587473006 479372501 /nfs/dbraw/zinc/37/25/01/479372501.db2.gz GDNRLRQCIYJKKQ-SNVBAGLBSA-N 0 0 335.335 2.688 10 5 EFBERN COC(=O)[C@@](C)(NCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599655057 479373329 /nfs/dbraw/zinc/37/33/29/479373329.db2.gz VBUOYJRLXRSMGM-RDJZCZTQSA-N 0 0 336.388 2.532 10 5 EFBERN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCc2ccc(F)cc21 ZINC000593519290 479375390 /nfs/dbraw/zinc/37/53/90/479375390.db2.gz ZBENOPJUDCHBKS-LLVKDONJSA-N 0 0 345.374 2.975 10 5 EFBERN Cc1ccccc1[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587749567 479375717 /nfs/dbraw/zinc/37/57/17/479375717.db2.gz MHRBMVXAZQUHAK-ZDUSSCGKSA-N 0 0 327.384 2.972 10 5 EFBERN CC(=O)c1cc(N[C@@H]2CCCc3c2ccc(=O)n3C)ccc1[N+](=O)[O-] ZINC000593521526 479376450 /nfs/dbraw/zinc/37/64/50/479376450.db2.gz UIUPLXXAIZVLCS-OAHLLOKOSA-N 0 0 341.367 2.986 10 5 EFBERN Nc1cc(N2CCCO[C@@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587887103 479376674 /nfs/dbraw/zinc/37/66/74/479376674.db2.gz MHPJSDKHXHHWPU-QGZVFWFLSA-N 0 0 343.383 2.637 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@]2(CC2(F)F)C1 ZINC000593523761 479377515 /nfs/dbraw/zinc/37/75/15/479377515.db2.gz ZFTCEIZGFUTZTK-CQSZACIVSA-N 0 0 326.299 2.925 10 5 EFBERN CC1(C)C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CO1 ZINC000596662804 479377615 /nfs/dbraw/zinc/37/76/15/479377615.db2.gz ZLVMHSYCPGNGPD-QMMMGPOBSA-N 0 0 345.302 2.885 10 5 EFBERN COC(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000599662772 479377892 /nfs/dbraw/zinc/37/78/92/479377892.db2.gz XJLWZOAQEHGAOZ-GVDBMIGSSA-N 0 0 348.399 2.637 10 5 EFBERN CO[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000596665624 479378571 /nfs/dbraw/zinc/37/85/71/479378571.db2.gz DTMPSRIQXIVIBA-MRXNPFEDSA-N 0 0 335.404 2.718 10 5 EFBERN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593531973 479378737 /nfs/dbraw/zinc/37/87/37/479378737.db2.gz LCEUCDCJHQJEPY-GFCCVEGCSA-N 0 0 335.385 2.680 10 5 EFBERN Nc1cc(N[C@H]2CCCN(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587979275 479378759 /nfs/dbraw/zinc/37/87/59/479378759.db2.gz OTHWYPPIJCBKMW-AWEZNQCLSA-N 0 0 342.399 2.750 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)c2c(C)noc2C)c1[N+](=O)[O-] ZINC000587978237 479378854 /nfs/dbraw/zinc/37/88/54/479378854.db2.gz AKNPWRYENTXRCC-MRVPVSSYSA-N 0 0 334.332 2.863 10 5 EFBERN Nc1cc(N2CC[C@@H](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587983880 479378940 /nfs/dbraw/zinc/37/89/40/479378940.db2.gz CLQULAZZAHJBSK-AWEZNQCLSA-N 0 0 327.384 2.738 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000593532723 479379277 /nfs/dbraw/zinc/37/92/77/479379277.db2.gz YZPRNHXEKJPGDW-MRVWCRGKSA-N 0 0 339.417 2.579 10 5 EFBERN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593535086 479380344 /nfs/dbraw/zinc/38/03/44/479380344.db2.gz UXJHFQSMOILSGC-HNNXBMFYSA-N 0 0 347.396 2.824 10 5 EFBERN Nc1cc(NCCc2cc3ccccc3[nH]2)cc(CO)c1[N+](=O)[O-] ZINC000588003158 479381824 /nfs/dbraw/zinc/38/18/24/479381824.db2.gz FNUWGKAWQYCFOA-UHFFFAOYSA-N 0 0 326.356 2.805 10 5 EFBERN COC(=O)[C@H]1CN(Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671427 479381900 /nfs/dbraw/zinc/38/19/00/479381900.db2.gz YKCNZNBNJOYOFQ-AWEZNQCLSA-N 0 0 332.381 2.929 10 5 EFBERN CN(CCC1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593540334 479382517 /nfs/dbraw/zinc/38/25/17/479382517.db2.gz SBQKXVSMAMGATR-UHFFFAOYSA-N 0 0 327.406 2.581 10 5 EFBERN Nc1cc(N2CCS[C@H](c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588005102 479382644 /nfs/dbraw/zinc/38/26/44/479382644.db2.gz MKTKZKLJLQEPSR-INIZCTEOSA-N 0 0 345.424 2.964 10 5 EFBERN C[C@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545534 479383286 /nfs/dbraw/zinc/38/32/86/479383286.db2.gz GGXFRVLPGXGLPO-GXTWGEPZSA-N 0 0 347.396 2.557 10 5 EFBERN CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542862 479383487 /nfs/dbraw/zinc/38/34/87/479383487.db2.gz KLFDKJPXHJCPKU-QWRGUYRKSA-N 0 0 327.406 2.578 10 5 EFBERN CCC1(O)CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000588011839 479384247 /nfs/dbraw/zinc/38/42/47/479384247.db2.gz XDKVQHLNBFHYPO-UHFFFAOYSA-N 0 0 337.376 2.580 10 5 EFBERN CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593548083 479384418 /nfs/dbraw/zinc/38/44/18/479384418.db2.gz LUAHYVOCOUOGMP-WCQYABFASA-N 0 0 327.406 2.579 10 5 EFBERN COCc1ccc([C@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)o1 ZINC000588019269 479384513 /nfs/dbraw/zinc/38/45/13/479384513.db2.gz CDRMIJFTOJLRSQ-OAHLLOKOSA-N 0 0 347.371 2.750 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](C3CCCCC3)C2)n1 ZINC000588017081 479384897 /nfs/dbraw/zinc/38/48/97/479384897.db2.gz SZZQGXJNNMOMQA-HNNXBMFYSA-N 0 0 349.387 2.562 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2)C1 ZINC000588014754 479385008 /nfs/dbraw/zinc/38/50/08/479385008.db2.gz YIPGPPBASXMRBW-KZULUSFZSA-N 0 0 344.415 2.802 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC3(CCCC3)OC(C)(C)C2)n1 ZINC000588028099 479385828 /nfs/dbraw/zinc/38/58/28/479385828.db2.gz MFJNXQUXCYRUIM-UHFFFAOYSA-N 0 0 349.387 2.704 10 5 EFBERN COC(=O)c1cc(C)nc(NCCCc2ccccc2F)c1[N+](=O)[O-] ZINC000588038392 479386155 /nfs/dbraw/zinc/38/61/55/479386155.db2.gz JGZMAGVOYPMLDZ-UHFFFAOYSA-N 0 0 347.346 2.691 10 5 EFBERN Cc1cnc(C2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)s1 ZINC000588034076 479386232 /nfs/dbraw/zinc/38/62/32/479386232.db2.gz DXJOVHOWOAGPMK-UHFFFAOYSA-N 0 0 348.428 2.818 10 5 EFBERN Cn1nccc1C1=CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000588064569 479388121 /nfs/dbraw/zinc/38/81/21/479388121.db2.gz PGEMPLZLHMTNQW-UHFFFAOYSA-N 0 0 336.355 2.565 10 5 EFBERN CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593563497 479388332 /nfs/dbraw/zinc/38/83/32/479388332.db2.gz AEIQABVSJZJBES-WCQYABFASA-N 0 0 327.406 2.579 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588068642 479389137 /nfs/dbraw/zinc/38/91/37/479389137.db2.gz YRLWBEKXXUFWNC-PRHODGIISA-N 0 0 342.277 2.694 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588068644 479389355 /nfs/dbraw/zinc/38/93/55/479389355.db2.gz YRLWBEKXXUFWNC-UFBFGSQYSA-N 0 0 342.277 2.694 10 5 EFBERN C[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593567273 479389425 /nfs/dbraw/zinc/38/94/25/479389425.db2.gz BHSLXWDCEZJWLS-BDJLRTHQSA-N 0 0 347.396 2.592 10 5 EFBERN CCCCC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593564683 479389663 /nfs/dbraw/zinc/38/96/63/479389663.db2.gz YWEVIBPAKKBXKR-LBPRGKRZSA-N 0 0 327.406 2.723 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000593583058 479393728 /nfs/dbraw/zinc/39/37/28/479393728.db2.gz REXNZXCFRBCRRH-ZFWWWQNUSA-N 0 0 338.379 2.532 10 5 EFBERN COC(=O)C1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000599693734 479394091 /nfs/dbraw/zinc/39/40/91/479394091.db2.gz FZQOZFPWTGBZPR-GHMZBOCLSA-N 0 0 346.387 2.633 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000611497045 479396847 /nfs/dbraw/zinc/39/68/47/479396847.db2.gz LAACGNPTWMTHAI-GWCFXTLKSA-N 0 0 330.381 2.526 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](C)[C@@H](F)C1 ZINC000611501985 479397505 /nfs/dbraw/zinc/39/75/05/479397505.db2.gz LKICOVSKTOVFJG-GVXVVHGQSA-N 0 0 339.367 2.610 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599701292 479397591 /nfs/dbraw/zinc/39/75/91/479397591.db2.gz DOOXVUSNXVFGMU-TVQRCGJNSA-N 0 0 325.752 2.937 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](F)C2)cc([N+](=O)[O-])c1 ZINC000611505926 479398183 /nfs/dbraw/zinc/39/81/83/479398183.db2.gz FXUGXUZRYQGYPK-IINYFYTJSA-N 0 0 338.335 2.592 10 5 EFBERN C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1F ZINC000611505561 479398198 /nfs/dbraw/zinc/39/81/98/479398198.db2.gz ISPNNNDAVHBXEY-FZMZJTMJSA-N 0 0 332.335 2.601 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC2(F)F)c(Cl)c1 ZINC000588144364 479398364 /nfs/dbraw/zinc/39/83/64/479398364.db2.gz GONABUSXGRUNTM-JTQLQIEISA-N 0 0 340.735 2.714 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](F)C2)cc1OC ZINC000611505406 479398488 /nfs/dbraw/zinc/39/84/88/479398488.db2.gz FLXPJOXFGZIRFF-PWSUYJOCSA-N 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ZINC000593610273 479402111 /nfs/dbraw/zinc/40/21/11/479402111.db2.gz XDGMRRZGANTGLI-OLZOCXBDSA-N 0 0 341.433 2.825 10 5 EFBERN COc1cc(CN2CCC[C@H]2c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000611516444 479403272 /nfs/dbraw/zinc/40/32/72/479403272.db2.gz ZMDMCNXCEYPXAJ-HNNXBMFYSA-N 0 0 330.388 2.982 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC23CCCC3)c(Cl)c1 ZINC000593617934 479404289 /nfs/dbraw/zinc/40/42/89/479404289.db2.gz CXMRSWSRIOADTJ-UHFFFAOYSA-N 0 0 330.793 2.955 10 5 EFBERN CC(C)c1nc([C@H]2CCCCCN2c2c([N+](=O)[O-])ncn2C)no1 ZINC000611531327 479407222 /nfs/dbraw/zinc/40/72/22/479407222.db2.gz UZZXFMZMULLFHL-LLVKDONJSA-N 0 0 334.380 2.956 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000599731145 479409151 /nfs/dbraw/zinc/40/91/51/479409151.db2.gz KGPXTKDHWXODHP-WAAGHKOSSA-N 0 0 345.302 2.743 10 5 EFBERN C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611541213 479410719 /nfs/dbraw/zinc/41/07/19/479410719.db2.gz HDGRIOANQZMGDX-IUCAKERBSA-N 0 0 329.282 2.805 10 5 EFBERN CCO[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000599738831 479411479 /nfs/dbraw/zinc/41/14/79/479411479.db2.gz CYOMRCUAJJUQFB-CQSZACIVSA-N 0 0 328.796 2.968 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000596749388 479412094 /nfs/dbraw/zinc/41/20/94/479412094.db2.gz JHEVSPRKMAVTKA-CTYIDZIISA-N 0 0 333.388 2.836 10 5 EFBERN O=C(Cc1ccc(F)c(Cl)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599742947 479412170 /nfs/dbraw/zinc/41/21/70/479412170.db2.gz MBWSXQXBXWSQGG-UHFFFAOYSA-N 0 0 349.749 2.910 10 5 EFBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(C3(O)CC3)CC2)c1 ZINC000593647716 479412853 /nfs/dbraw/zinc/41/28/53/479412853.db2.gz HVHRDLSDNGPMAU-UHFFFAOYSA-N 0 0 342.342 2.933 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCCC1(F)F ZINC000588296272 479413083 /nfs/dbraw/zinc/41/30/83/479413083.db2.gz BIYJNHMXNKZTHN-LBPRGKRZSA-N 0 0 329.303 2.590 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599754836 479414739 /nfs/dbraw/zinc/41/47/39/479414739.db2.gz NBFBZDLRGWCJNQ-SECBINFHSA-N 0 0 343.177 2.514 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593665874 479416260 /nfs/dbraw/zinc/41/62/60/479416260.db2.gz MJHHIMGCFHSQPM-CYBMUJFWSA-N 0 0 346.355 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c1C ZINC000593665150 479416835 /nfs/dbraw/zinc/41/68/35/479416835.db2.gz CNCFXXCGWNDLHX-ZDUSSCGKSA-N 0 0 346.355 2.631 10 5 EFBERN Nc1cc(NCCCN2CCc3ccccc32)cc(CO)c1[N+](=O)[O-] ZINC000611564868 479416924 /nfs/dbraw/zinc/41/69/24/479416924.db2.gz JFFWAWRXRDJIIG-UHFFFAOYSA-N 0 0 342.399 2.534 10 5 EFBERN COc1ccc(NC(=O)N2CC(Cc3ccco3)C2)cc1[N+](=O)[O-] ZINC000599771052 479420117 /nfs/dbraw/zinc/42/01/17/479420117.db2.gz RJNWNSYBQQXEPT-UHFFFAOYSA-N 0 0 331.328 2.903 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](OC(F)F)C1 ZINC000611572784 479421034 /nfs/dbraw/zinc/42/10/34/479421034.db2.gz BYJFPYWLYFDGAH-SNVBAGLBSA-N 0 0 339.298 2.920 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4C[C@H]3C[S@]4=O)o2)c1 ZINC000593686439 479423008 /nfs/dbraw/zinc/42/30/08/479423008.db2.gz DNRHKWFEWBAAGG-VXOUBLIBSA-N 0 0 332.381 2.560 10 5 EFBERN CC(C)[C@H](NCC(F)(F)F)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000596777026 479423549 /nfs/dbraw/zinc/42/35/49/479423549.db2.gz TYXCCRCHHBTOFH-ZDUSSCGKSA-N 0 0 347.337 2.730 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000599781431 479423730 /nfs/dbraw/zinc/42/37/30/479423730.db2.gz ZEMWILSLJSRNBY-UHFFFAOYSA-N 0 0 348.403 2.673 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000611581559 479424714 /nfs/dbraw/zinc/42/47/14/479424714.db2.gz DFLSSSLSHPDTGR-GFCCVEGCSA-N 0 0 343.330 2.551 10 5 EFBERN CCC(F)(F)CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000599783134 479424792 /nfs/dbraw/zinc/42/47/92/479424792.db2.gz GVZNKOMCAUCYDM-UHFFFAOYSA-N 0 0 345.302 2.857 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599788282 479425649 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EFBERN COC(=O)C[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000596787492 479427199 /nfs/dbraw/zinc/42/71/99/479427199.db2.gz IPCQYPFURYGYSI-CYBMUJFWSA-N 0 0 349.387 2.922 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000611617463 479430319 /nfs/dbraw/zinc/43/03/19/479430319.db2.gz XRLLNLAFZAEHKZ-ZDUSSCGKSA-N 0 0 342.403 2.986 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611617643 479430533 /nfs/dbraw/zinc/43/05/33/479430533.db2.gz PWHOFJZYYPHEDU-AWEZNQCLSA-N 0 0 345.403 2.535 10 5 EFBERN C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618315 479430574 /nfs/dbraw/zinc/43/05/74/479430574.db2.gz QQDMRGKCRQEQLG-UWVGGRQHSA-N 0 0 344.314 2.741 10 5 EFBERN Cc1nc(C)n(C[C@H]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)n1 ZINC000611616253 479430846 /nfs/dbraw/zinc/43/08/46/479430846.db2.gz CHIZSAYCKMBMMF-HNNXBMFYSA-N 0 0 344.419 2.732 10 5 EFBERN CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000611616692 479430858 /nfs/dbraw/zinc/43/08/58/479430858.db2.gz DRRFXCXYULSNLH-HUUCEWRRSA-N 0 0 334.420 2.832 10 5 EFBERN CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000596802369 479432940 /nfs/dbraw/zinc/43/29/40/479432940.db2.gz ZABMUCYYISDANY-GFCCVEGCSA-N 0 0 330.287 2.950 10 5 EFBERN COc1ccc(Oc2cc(C(C)C)nc3ncnn32)c([N+](=O)[O-])c1 ZINC000603837788 479434571 /nfs/dbraw/zinc/43/45/71/479434571.db2.gz DVJUAXZBFIKHQW-UHFFFAOYSA-N 0 0 329.316 2.957 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@H](C)[C@@H]2C)c1 ZINC000593729467 479435940 /nfs/dbraw/zinc/43/59/40/479435940.db2.gz FOSLXNVEDQZONE-AAEUAGOBSA-N 0 0 328.372 2.628 10 5 EFBERN O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000593727444 479436795 /nfs/dbraw/zinc/43/67/95/479436795.db2.gz JQCIUHWYTFQQTA-QGZVFWFLSA-N 0 0 331.347 2.586 10 5 EFBERN CCC1(CC)CN(c2cc(C)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000614533683 479437388 /nfs/dbraw/zinc/43/73/88/479437388.db2.gz DJGIXWGKGVRHIQ-UHFFFAOYSA-N 0 0 326.418 2.697 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC1(F)F ZINC000588757413 479438683 /nfs/dbraw/zinc/43/86/83/479438683.db2.gz WGTRBRSZOPKKRK-CYBMUJFWSA-N 0 0 327.331 2.967 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C12CCC2 ZINC000596818000 479439899 /nfs/dbraw/zinc/43/98/99/479439899.db2.gz XIJLUUVMSKSIKN-KGLIPLIRSA-N 0 0 348.403 2.660 10 5 EFBERN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(C)C ZINC000599829793 479442079 /nfs/dbraw/zinc/44/20/79/479442079.db2.gz LWBZZEBDPINULD-CQSZACIVSA-N 0 0 332.360 2.936 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCCC[C@@H]1O ZINC000599829363 479442088 /nfs/dbraw/zinc/44/20/88/479442088.db2.gz GDXVYPUJAVOWDP-ZFWWWQNUSA-N 0 0 330.344 2.568 10 5 EFBERN Cc1cc(NC(=O)N2CCO[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000596823844 479442476 /nfs/dbraw/zinc/44/24/76/479442476.db2.gz ORWMJJABAJSTSC-CQSZACIVSA-N 0 0 329.303 2.791 10 5 EFBERN COC[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829608 479442771 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CC(=O)c1ccc2c(c1)oc(=O)n2CCc1ccc([N+](=O)[O-])cc1 ZINC000588880208 479451997 /nfs/dbraw/zinc/45/19/97/479451997.db2.gz HQCZBXHDDSBCBC-UHFFFAOYSA-N 0 0 326.308 2.948 10 5 EFBERN CC(C)c1n[nH]c(C(=O)Nc2cc3c([nH]c2=O)CCCC3)c1[N+](=O)[O-] ZINC000593761582 479451935 /nfs/dbraw/zinc/45/19/35/479451935.db2.gz SUYSSCKUBKCVMT-UHFFFAOYSA-N 0 0 345.359 2.673 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1c(F)cc(F)cc1F ZINC000603933421 479453360 /nfs/dbraw/zinc/45/33/60/479453360.db2.gz ZEZHENDXBWNMCX-UHFFFAOYSA-N 0 0 329.259 2.657 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000596845881 479454076 /nfs/dbraw/zinc/45/40/76/479454076.db2.gz XKHWEQWTUBDIIJ-UHFFFAOYSA-N 0 0 349.387 2.884 10 5 EFBERN O=C(N[C@@H]1CCc2ccccc2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603941588 479455263 /nfs/dbraw/zinc/45/52/63/479455263.db2.gz FBMRPTQASWTPRN-CYBMUJFWSA-N 0 0 340.335 2.611 10 5 EFBERN CC[C@@H](OCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000593787192 479459564 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EFBERN C[C@]1(c2ccccc2)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCO1 ZINC000593792179 479462765 /nfs/dbraw/zinc/46/27/65/479462765.db2.gz JWMSWVREBTWBFU-GOSISDBHSA-N 0 0 342.351 2.688 10 5 EFBERN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596869128 479463823 /nfs/dbraw/zinc/46/38/23/479463823.db2.gz NPIGTHDQDRZBCB-CQSZACIVSA-N 0 0 334.372 2.579 10 5 EFBERN COC(=O)[C@H](CCF)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000593803935 479466294 /nfs/dbraw/zinc/46/62/94/479466294.db2.gz ZACPYGLOJOKYHY-LBPRGKRZSA-N 0 0 340.351 2.523 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ocnc1C(F)F ZINC000599907113 479466381 /nfs/dbraw/zinc/46/63/81/479466381.db2.gz LPUSDHLAPUOGIW-UHFFFAOYSA-N 0 0 325.271 2.835 10 5 EFBERN COc1ccc(CNC(=O)[C@@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000596877100 479467468 /nfs/dbraw/zinc/46/74/68/479467468.db2.gz QJLYZACTWCRNHU-QGZVFWFLSA-N 0 0 336.388 2.551 10 5 EFBERN COC(=O)c1cc(NC(=O)NC2CC(C)(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000596877830 479468810 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COc1ccc(CC(=O)N2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000594068779 479577582 /nfs/dbraw/zinc/57/75/82/479577582.db2.gz PEXVXZYHXNVXRF-UHFFFAOYSA-N 0 0 327.340 2.520 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594071250 479578376 /nfs/dbraw/zinc/57/83/76/479578376.db2.gz JYECDNNBPYZKPB-SJLPKXTDSA-N 0 0 332.400 2.991 10 5 EFBERN Cc1cc(OCC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000594071132 479578521 /nfs/dbraw/zinc/57/85/21/479578521.db2.gz XPEZFJNYSHWRTE-AEFFLSMTSA-N 0 0 348.399 2.746 10 5 EFBERN Cc1c(CC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594071609 479578710 /nfs/dbraw/zinc/57/87/10/479578710.db2.gz LDCOEAUVEHSLRY-AEFFLSMTSA-N 0 0 332.400 2.910 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594071703 479579650 /nfs/dbraw/zinc/57/96/50/479579650.db2.gz LQKSCQMRESAWAQ-HZPDHXFCSA-N 0 0 334.372 2.681 10 5 EFBERN COc1cc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000594074518 479580158 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)c2ccncc2)cc1C ZINC000610518536 480328334 /nfs/dbraw/zinc/32/83/34/480328334.db2.gz ZIOQAQQNPAQMGH-CYBMUJFWSA-N 0 0 349.412 2.689 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610526008 480329709 /nfs/dbraw/zinc/32/97/09/480329709.db2.gz DCLQFWLPPLMEQK-LBPRGKRZSA-N 0 0 329.356 2.922 10 5 EFBERN C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610528921 480330717 /nfs/dbraw/zinc/33/07/17/480330717.db2.gz PEYFLYCLJKNAHL-ZDUSSCGKSA-N 0 0 328.372 2.635 10 5 EFBERN COc1ccc(CNC(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610528826 480330800 /nfs/dbraw/zinc/33/08/00/480330800.db2.gz CJZSXFBWNZYCFM-LBPRGKRZSA-N 0 0 344.371 2.601 10 5 EFBERN C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610526614 480330857 /nfs/dbraw/zinc/33/08/57/480330857.db2.gz YJGRXHBCBVEPHT-ZDUSSCGKSA-N 0 0 329.356 2.679 10 5 EFBERN C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610526118 480331163 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CC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610719970 480374347 /nfs/dbraw/zinc/37/43/47/480374347.db2.gz XRVSIAOUPHQGJE-OAHLLOKOSA-N 0 0 336.388 2.685 10 5 EFBERN COc1cc(C(=O)NCC(C)(C)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000610719511 480374406 /nfs/dbraw/zinc/37/44/06/480374406.db2.gz BNNZSSVKUAYELX-OAHLLOKOSA-N 0 0 336.388 2.929 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1CCC2(CC2)CC1 ZINC000617939874 480436550 /nfs/dbraw/zinc/43/65/50/480436550.db2.gz OGCAPWILDHBYNP-UHFFFAOYSA-N 0 0 333.388 2.996 10 5 EFBERN COc1cccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c1[N+](=O)[O-] ZINC000618135300 480538462 /nfs/dbraw/zinc/53/84/62/480538462.db2.gz QLHDXNKWOAMCOP-AWEZNQCLSA-N 0 0 341.367 2.703 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](Cc4ccncc4)C3)nc2c1 ZINC000618305244 480613658 /nfs/dbraw/zinc/61/36/58/480613658.db2.gz NEBPFRNDNIOXLZ-AWEZNQCLSA-N 0 0 337.383 2.931 10 5 EFBERN CCN1CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1=O ZINC000670032095 481404491 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EFBERN CC(C)(C(=O)N[C@H]1CCc2cc(Cl)ccc21)n1cc([N+](=O)[O-])cn1 ZINC000338651554 534374794 /nfs/dbraw/zinc/37/47/94/534374794.db2.gz YBCMQJVFQMLRFB-AWEZNQCLSA-N 0 0 348.790 2.984 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCO[C@H](c2cccs2)C1 ZINC000183597746 534424548 /nfs/dbraw/zinc/42/45/48/534424548.db2.gz WRPWYWVQJJGRNT-LBPRGKRZSA-N 0 0 334.357 2.657 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000183636843 534424620 /nfs/dbraw/zinc/42/46/20/534424620.db2.gz RTQRFGCUPCLRPQ-ZDUSSCGKSA-N 0 0 334.357 2.657 10 5 EFBERN CC(=O)N(C)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000118262763 519459883 /nfs/dbraw/zinc/45/98/83/519459883.db2.gz GYASCYDNQFQGOA-UHFFFAOYSA-N 0 0 327.340 2.759 10 5 EFBERN CC(C)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000133890539 519707454 /nfs/dbraw/zinc/70/74/54/519707454.db2.gz CAKUMYLAIPWYHW-ZDUSSCGKSA-N 0 0 343.387 2.889 10 5 EFBERN CCCn1nccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032665831 519891566 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Cc1nc(COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)no1 ZINC000773603221 581449647 /nfs/dbraw/zinc/44/96/47/581449647.db2.gz MLGLKCHDSJRDAE-UHFFFAOYSA-N 0 0 335.319 2.730 10 5 EFBERN Cc1ccncc1[C@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000773945509 581474874 /nfs/dbraw/zinc/47/48/74/581474874.db2.gz GAQCLRWHWHSMHJ-JTQLQIEISA-N 0 0 330.296 2.945 10 5 EFBERN Cn1cc([C@H](NCc2cc(F)ccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000773991291 581477417 /nfs/dbraw/zinc/47/74/17/581477417.db2.gz RDALQCQNJDSVOL-LBPRGKRZSA-N 0 0 332.257 2.861 10 5 EFBERN CCO[C@@H]1C[C@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000774330244 581489728 /nfs/dbraw/zinc/48/97/28/581489728.db2.gz UEEKBFGQDJBQRQ-JOYOIKCWSA-N 0 0 331.271 2.778 10 5 EFBERN CCO[C@H]1C[C@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000774330241 581489760 /nfs/dbraw/zinc/48/97/60/581489760.db2.gz UEEKBFGQDJBQRQ-CABZTGNLSA-N 0 0 331.271 2.778 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C(F)F)[C@H]1CCCO1 ZINC000774439300 581491574 /nfs/dbraw/zinc/49/15/74/581491574.db2.gz JHQIUZIUVWJLMF-ZYHUDNBSSA-N 0 0 331.271 2.573 10 5 EFBERN COc1ccc(CC(=O)O[C@@H](C(F)F)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000774441914 581491621 /nfs/dbraw/zinc/49/16/21/581491621.db2.gz KLGVITDHGDOCOB-TZMCWYRMSA-N 0 0 345.298 2.502 10 5 EFBERN C[C@@](O)(CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000774677429 581497441 /nfs/dbraw/zinc/49/74/41/581497441.db2.gz ZVDXOHPWJFKZIX-MRXNPFEDSA-N 0 0 330.319 2.930 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000774788068 581500928 /nfs/dbraw/zinc/50/09/28/581500928.db2.gz JAVMQPISPAQVGL-BDJLRTHQSA-N 0 0 347.346 2.828 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000774788948 581500978 /nfs/dbraw/zinc/50/09/78/581500978.db2.gz CVIDSQRXXJFLBC-BZNIZROVSA-N 0 0 347.346 2.828 10 5 EFBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000774860679 581502559 /nfs/dbraw/zinc/50/25/59/581502559.db2.gz FCJJCSZLCCMYIO-LLVKDONJSA-N 0 0 329.312 2.923 10 5 EFBERN C[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000774865238 581502723 /nfs/dbraw/zinc/50/27/23/581502723.db2.gz QMDCRJPMCIDKBS-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN Cc1nnc(COC(=O)CSc2ccccc2[N+](=O)[O-])n1C1CC1 ZINC000774877893 581502995 /nfs/dbraw/zinc/50/29/95/581502995.db2.gz IRXJAGHCXNIDSK-UHFFFAOYSA-N 0 0 348.384 2.665 10 5 EFBERN C[C@H]1C[C@@H]1n1c(Nc2cnn(C)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC001708003240 1248810967 /nfs/dbraw/zinc/81/09/67/1248810967.db2.gz XBJRRPRBPGNEEW-HZMBPMFUSA-N 0 0 339.359 2.911 10 5 EFBERN Cn1ncc(C2CCC2)c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000849988694 1250212643 /nfs/dbraw/zinc/21/26/43/1250212643.db2.gz FICFZUOIKZMXDZ-UHFFFAOYSA-N 0 0 343.339 2.636 10 5 EFBERN C[C@H](Cc1ccco1)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000850056282 1250250210 /nfs/dbraw/zinc/25/02/10/1250250210.db2.gz LIMAZUHKLVCVDR-VXGBXAGGSA-N 0 0 346.339 2.937 10 5 EFBERN COc1cc(COC(=O)C[C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000850088312 1250270613 /nfs/dbraw/zinc/27/06/13/1250270613.db2.gz WOTPVAQMXYTFMQ-QMTHXVAHSA-N 0 0 341.335 2.991 10 5 EFBERN CC1(C)CCC[C@](O)(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000850106784 1250283717 /nfs/dbraw/zinc/28/37/17/1250283717.db2.gz CXFDKRMIKGZEBX-QGZVFWFLSA-N 0 0 335.356 2.652 10 5 EFBERN COc1ccc(COC(=O)[C@@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000850107018 1250282668 /nfs/dbraw/zinc/28/26/68/1250282668.db2.gz KADUWZOHFFUNTM-QGZVFWFLSA-N 0 0 337.372 2.978 10 5 EFBERN O=C(Cc1cc(C2CC2)no1)OCCOc1ccccc1[N+](=O)[O-] ZINC000850158024 1250327143 /nfs/dbraw/zinc/32/71/43/1250327143.db2.gz QQBBWGSVIHHFMG-UHFFFAOYSA-N 0 0 332.312 2.625 10 5 EFBERN CCN(CCNC(=O)C1(C(F)F)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001691020531 1247925056 /nfs/dbraw/zinc/92/50/56/1247925056.db2.gz WZDDEAHVTCTAAZ-UHFFFAOYSA-N 0 0 341.358 2.578 10 5 EFBERN C[C@]1(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC001687255883 1248161166 /nfs/dbraw/zinc/16/11/66/1248161166.db2.gz WHMQEVQPDULJSC-LAQFHYBYSA-N 0 0 332.404 2.742 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](CCO)c2cccs2)cc1[N+](=O)[O-] ZINC001687333046 1248260248 /nfs/dbraw/zinc/26/02/48/1248260248.db2.gz CNFSTDWUPGEARX-ZDUSSCGKSA-N 0 0 349.412 2.888 10 5 EFBERN NC(=O)c1ccc(COC(=O)[C@H]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000850206188 1250350983 /nfs/dbraw/zinc/35/09/83/1250350983.db2.gz IWCMLARSNVYNEJ-LBPRGKRZSA-N 0 0 332.356 2.707 10 5 EFBERN C[C@@H](OC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000850261778 1250382484 /nfs/dbraw/zinc/38/24/84/1250382484.db2.gz CUYJYDDBEYZLMO-ZNSHCXBVSA-N 0 0 336.319 2.650 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H]2C[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000850261781 1250382991 /nfs/dbraw/zinc/38/29/91/1250382991.db2.gz CYRYTUPQRMRKHC-NDBYEHHHSA-N 0 0 332.356 2.820 10 5 EFBERN Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000850261782 1250383076 /nfs/dbraw/zinc/38/30/76/1250383076.db2.gz CYRYTUPQRMRKHC-WUHRBBMRSA-N 0 0 332.356 2.820 10 5 EFBERN CCOC1(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CCC1 ZINC000850289089 1250401415 /nfs/dbraw/zinc/40/14/15/1250401415.db2.gz DMESVXVQTDGPOD-UHFFFAOYSA-N 0 0 327.308 2.745 10 5 EFBERN O=C(OCCc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCOCC1 ZINC000850331894 1250434267 /nfs/dbraw/zinc/43/42/67/1250434267.db2.gz SIPLUFAXDWPMSS-UHFFFAOYSA-N 0 0 345.355 2.542 10 5 EFBERN O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC000850928511 1250695387 /nfs/dbraw/zinc/69/53/87/1250695387.db2.gz DLOUDAVMMWYVGY-YQFWSFKMSA-N 0 0 340.335 2.515 10 5 EFBERN CN(C)c1ccc(COC(=O)[C@@]23C[C@@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000850943683 1250703627 /nfs/dbraw/zinc/70/36/27/1250703627.db2.gz SROGELLMEVYMAY-SJKOYZFVSA-N 0 0 334.372 2.519 10 5 EFBERN O=C(OCc1ccc(O[C@@H]2CCOC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000851393369 1250968165 /nfs/dbraw/zinc/96/81/65/1250968165.db2.gz CUEYHUPJDXCZLD-OAHLLOKOSA-N 0 0 344.323 2.515 10 5 EFBERN CCOc1ccc(C(=O)Nc2cccc(CCO)c2)cc1[N+](=O)[O-] ZINC001299274743 1265536886 /nfs/dbraw/zinc/53/68/86/1265536886.db2.gz YWZYGHUGNSHQOV-UHFFFAOYSA-N 0 0 330.340 2.781 10 5 EFBERN O=C(OCC1CC2(CCC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000851477763 1251027307 /nfs/dbraw/zinc/02/73/07/1251027307.db2.gz MLQBVTYCZHEWLB-UHFFFAOYSA-N 0 0 342.355 2.913 10 5 EFBERN Cc1ncccc1[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000851540306 1251068057 /nfs/dbraw/zinc/06/80/57/1251068057.db2.gz CGBLUYBIDWCDHA-LLVKDONJSA-N 0 0 344.323 2.987 10 5 EFBERN Cc1ncccc1[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000851540307 1251068134 /nfs/dbraw/zinc/06/81/34/1251068134.db2.gz CGBLUYBIDWCDHA-NSHDSACASA-N 0 0 344.323 2.987 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCCCN(C)C1=O ZINC000851565624 1251092174 /nfs/dbraw/zinc/09/21/74/1251092174.db2.gz RXEDJLFQCCVXCI-BMOGTNHUSA-N 0 0 346.383 2.800 10 5 EFBERN CCc1cc(NC(=O)[C@@H]2CCC[C@H]2OC)c2cc([N+](=O)[O-])ccc2n1 ZINC001127577961 1252282081 /nfs/dbraw/zinc/28/20/81/1252282081.db2.gz RYEGQZWNKFEPOB-CXAGYDPISA-N 0 0 343.383 2.881 10 5 EFBERN C[C@H]1C[C@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCO1 ZINC001127611811 1252597491 /nfs/dbraw/zinc/59/74/91/1252597491.db2.gz YJSGXXAFHUKEFO-NWDGAFQWSA-N 0 0 343.383 2.875 10 5 EFBERN O=[N+]([O-])c1c(N2CCC3(CCC(O)CC3)CC2)nc2ccccn21 ZINC000828352505 1252748706 /nfs/dbraw/zinc/74/87/06/1252748706.db2.gz MGRPUNJAGMZMJC-UHFFFAOYSA-N 0 0 330.388 2.764 10 5 EFBERN CC(C)(C)Oc1cccc(COC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000922360238 1265788040 /nfs/dbraw/zinc/78/80/40/1265788040.db2.gz RJNXEPAMXWJLQU-UHFFFAOYSA-N 0 0 333.344 2.712 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000922381738 1265875423 /nfs/dbraw/zinc/87/54/23/1265875423.db2.gz GYYSFQVCXHMGNA-SKDRFNHKSA-N 0 0 349.261 2.870 10 5 EFBERN Cc1ccc(F)c(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1F ZINC000922405077 1265932486 /nfs/dbraw/zinc/93/24/86/1265932486.db2.gz SJXMDIPAXFRVAQ-UHFFFAOYSA-N 0 0 339.298 2.856 10 5 EFBERN COc1ccc(CC(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000922409079 1265950535 /nfs/dbraw/zinc/95/05/35/1265950535.db2.gz GWQKXBFXQMMRDV-ZSBIGDGJSA-N 0 0 341.310 2.980 10 5 EFBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ncn1 ZINC001127742317 1255463489 /nfs/dbraw/zinc/46/34/89/1255463489.db2.gz XPGPGLRGPJJOHW-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN O=C(c1ncc2c(F)cccn21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001127748421 1255541093 /nfs/dbraw/zinc/54/10/93/1255541093.db2.gz MSNQKOXCLORJSR-UHFFFAOYSA-N 0 0 340.314 2.975 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc[nH]cc-2n1 ZINC001127749687 1255549450 /nfs/dbraw/zinc/54/94/50/1255549450.db2.gz UKYVCEHZIWWODS-UHFFFAOYSA-N 0 0 329.341 2.840 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCn2ccnc21 ZINC000828357216 1255850915 /nfs/dbraw/zinc/85/09/15/1255850915.db2.gz AQOUXXBRUCNPFV-LLVKDONJSA-N 0 0 336.735 2.788 10 5 EFBERN CC[C@@H](OC(=O)c1cccc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001127828231 1256430061 /nfs/dbraw/zinc/43/00/61/1256430061.db2.gz KAHLHGUVXARSNL-CQSZACIVSA-N 0 0 326.312 2.946 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC001127905991 1257075303 /nfs/dbraw/zinc/07/53/03/1257075303.db2.gz ARYXHUMNQDNSMT-DOTOQJQBSA-N 0 0 336.363 2.977 10 5 EFBERN COC(=O)c1ccc(OC(=O)C[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001127913337 1257113991 /nfs/dbraw/zinc/11/39/91/1257113991.db2.gz CWIAGZZFWOIBPN-LBPRGKRZSA-N 0 0 349.339 2.779 10 5 EFBERN O=C(OCc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCC[C@H]1O ZINC000922489261 1266130711 /nfs/dbraw/zinc/13/07/11/1266130711.db2.gz DWLKEYLFKMOOAM-ZYHUDNBSSA-N 0 0 344.161 2.562 10 5 EFBERN CCc1onc(C)c1COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000922496846 1266140482 /nfs/dbraw/zinc/14/04/82/1266140482.db2.gz DHTLRHROLLDFTD-UHFFFAOYSA-N 0 0 333.344 2.633 10 5 EFBERN CC(=O)NCCCCCOC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000922515586 1266184783 /nfs/dbraw/zinc/18/47/83/1266184783.db2.gz FGVKGFCKHJUAMC-UHFFFAOYSA-N 0 0 326.324 2.506 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCOC12CCCC2 ZINC001670930273 1258745724 /nfs/dbraw/zinc/74/57/24/1258745724.db2.gz ZJYWLGZCYRMBTI-OAHLLOKOSA-N 0 0 349.387 2.504 10 5 EFBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCSC[C@@H]1c1ccccc1 ZINC000921643620 1258790019 /nfs/dbraw/zinc/79/00/19/1258790019.db2.gz XHAPGEFWJJFTJS-CYBMUJFWSA-N 0 0 332.385 2.638 10 5 EFBERN CC(=O)NCCCCCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000922571315 1266294143 /nfs/dbraw/zinc/29/41/43/1266294143.db2.gz SCPIXMXSQLLCJZ-UHFFFAOYSA-N 0 0 328.752 2.711 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cscc1Br ZINC001129273592 1260653718 /nfs/dbraw/zinc/65/37/18/1260653718.db2.gz KOZMRBJYWSDSRR-UHFFFAOYSA-N 0 0 345.178 2.562 10 5 EFBERN COc1ccc(F)c(OC)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001128111118 1261201375 /nfs/dbraw/zinc/20/13/75/1261201375.db2.gz LPPOLXVAAKBKJW-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(F)(C2CC2)CC1 ZINC000921708121 1261244971 /nfs/dbraw/zinc/24/49/71/1261244971.db2.gz CDOWEKOETWJQKF-UHFFFAOYSA-N 0 0 346.355 2.637 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(F)(C2CC2)CC1 ZINC000921708863 1261247344 /nfs/dbraw/zinc/24/73/44/1261247344.db2.gz MUUOBGJDXZWPHI-UHFFFAOYSA-N 0 0 342.392 2.639 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@H]2CCS[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000921710744 1261248691 /nfs/dbraw/zinc/24/86/91/1261248691.db2.gz BRHFEOJTBMUXJT-PWSUYJOCSA-N 0 0 344.458 2.774 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2CCS[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000921711873 1261254227 /nfs/dbraw/zinc/25/42/27/1261254227.db2.gz OIGXCNZLYDKXHK-NXEZZACHSA-N 0 0 348.421 2.605 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCSC3(CCC3)C2)c1 ZINC000921719251 1261271403 /nfs/dbraw/zinc/27/14/03/1261271403.db2.gz LFKPOCZMYDVDTD-NSHDSACASA-N 0 0 342.442 2.691 10 5 EFBERN CCOc1ccc(C(=O)OCc2ccoc2C(=O)OC)cc1[N+](=O)[O-] ZINC000791404284 1278091952 /nfs/dbraw/zinc/09/19/52/1278091952.db2.gz UTVNQXWSEHJLIC-UHFFFAOYSA-N 0 0 349.295 2.730 10 5 EFBERN Cc1cc(N(C)CCNC(=O)C(C)(C)CC(C)C)ncc1[N+](=O)[O-] ZINC001487407857 1261855576 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330.793 2.717 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000698339268 1263549678 /nfs/dbraw/zinc/54/96/78/1263549678.db2.gz MDZJZBBQLVBVRK-IUCAKERBSA-N 0 0 340.177 2.528 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1cnoc1 ZINC001627761871 1263610861 /nfs/dbraw/zinc/61/08/61/1263610861.db2.gz WWEKXPDSFBDBKG-UHFFFAOYSA-N 0 0 326.106 2.527 10 5 EFBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)C(F)(F)C1CCOCC1 ZINC000791602353 1278209810 /nfs/dbraw/zinc/20/98/10/1278209810.db2.gz KGOWGMNNQSLCLS-UHFFFAOYSA-N 0 0 345.298 2.579 10 5 EFBERN Cc1ccc2c(CCC(=O)Nc3c([N+](=O)[O-])cnn3C)c[nH]c2c1 ZINC001128216408 1263776734 /nfs/dbraw/zinc/77/67/34/1263776734.db2.gz BOONYLAVAGEFPX-UHFFFAOYSA-N 0 0 327.344 2.689 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC001128217083 1263778084 /nfs/dbraw/zinc/77/80/84/1263778084.db2.gz PAUFJPOULMEKPN-UHFFFAOYSA-N 0 0 332.213 2.739 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1coc(-c2ccccc2Cl)n1 ZINC001128217374 1263781013 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Nc1ncc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001171061519 1278220386 /nfs/dbraw/zinc/22/03/86/1278220386.db2.gz SYJSPKFKPTXSEF-LBPRGKRZSA-N 0 0 332.747 2.643 10 5 EFBERN C[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000922096130 1264359485 /nfs/dbraw/zinc/35/94/85/1264359485.db2.gz FSPIVLLMEQQGSE-MRXNPFEDSA-N 0 0 348.380 2.571 10 5 EFBERN C/C(=C/C(=O)N[C@H](c1nncn1C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000804257011 1264777262 /nfs/dbraw/zinc/77/72/62/1264777262.db2.gz UWZZUFDZDWFSTK-CKDIWJPDSA-N 0 0 343.387 2.640 10 5 EFBERN C[C@@H]1Cn2nccc2N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000922204380 1264910580 /nfs/dbraw/zinc/91/05/80/1264910580.db2.gz ZBHBPRFJPANDFD-JTQLQIEISA-N 0 0 325.328 2.569 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)OCCCCCNC(C)=O)c1 ZINC000922215609 1264982190 /nfs/dbraw/zinc/98/21/90/1264982190.db2.gz HTTIFLLOCXOXRR-UHFFFAOYSA-N 0 0 340.401 2.780 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC3(CCC3)O2)c1 ZINC000922225256 1265031755 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10 5 EFBERN Cc1ccnc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000791670690 1278261513 /nfs/dbraw/zinc/26/15/13/1278261513.db2.gz CMLCKGAQYIMNSP-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN COc1cccc(C(=O)OC[C@@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000922654882 1266524927 /nfs/dbraw/zinc/52/49/27/1266524927.db2.gz JKLGBNQOTRIQDR-GZMMTYOYSA-N 0 0 349.261 2.870 10 5 EFBERN COc1c(C(=O)OC[C@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922691088 1266597620 /nfs/dbraw/zinc/59/76/20/1266597620.db2.gz BSSCEVVXKRSMGN-LDYMZIIASA-N 0 0 349.261 2.870 10 5 EFBERN Cc1ccc(CCC(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000747036655 1278292868 /nfs/dbraw/zinc/29/28/68/1278292868.db2.gz UAHYCKFWTGFVOX-UHFFFAOYSA-N 0 0 346.339 2.919 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000734801654 1267118266 /nfs/dbraw/zinc/11/82/66/1267118266.db2.gz XLQNODCCNGLTPA-INIZCTEOSA-N 0 0 326.356 2.809 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](CCC(C)(C)C)C(N)=O ZINC001128515512 1267158792 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EFBERN Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc(C(N)=O)c1 ZINC001273339036 1267608060 /nfs/dbraw/zinc/60/80/60/1267608060.db2.gz VFEAHCNGAJIWBS-UHFFFAOYSA-N 0 0 335.266 2.533 10 5 EFBERN COCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001128522615 1267651788 /nfs/dbraw/zinc/65/17/88/1267651788.db2.gz DNYBGMVRWPLAST-UHFFFAOYSA-N 0 0 332.312 2.838 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(O)c2)cc([N+](=O)[O-])c1 ZINC001136960045 1278350622 /nfs/dbraw/zinc/35/06/22/1278350622.db2.gz HXKIGPNBCHMOGF-JTQLQIEISA-N 0 0 344.323 2.829 10 5 EFBERN COc1c(C)cnc(COC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000736766131 1267736166 /nfs/dbraw/zinc/73/61/66/1267736166.db2.gz IQPBJGFBAROEQX-UHFFFAOYSA-N 0 0 331.328 2.676 10 5 EFBERN CCO[C@H](C)c1noc(COC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000736811905 1267768926 /nfs/dbraw/zinc/76/89/26/1267768926.db2.gz UPIPHFYMSAABPI-SNVBAGLBSA-N 0 0 335.316 2.741 10 5 EFBERN CO[C@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC001136968853 1278366898 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2.940 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nccn2Cc2ccccc2)n1 ZINC001129419461 1280182918 /nfs/dbraw/zinc/18/29/18/1280182918.db2.gz KBSITOYEMXUJDY-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)C(=O)OC2 ZINC001129403071 1280187763 /nfs/dbraw/zinc/18/77/63/1280187763.db2.gz LNZCOXBECYECAI-UHFFFAOYSA-N 0 0 344.298 2.976 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000815296367 1287403953 /nfs/dbraw/zinc/40/39/53/1287403953.db2.gz LCYQWKFLYPBMNZ-OAHLLOKOSA-N 0 0 335.360 2.894 10 5 EFBERN COc1cc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001129430339 1280196703 /nfs/dbraw/zinc/19/67/03/1280196703.db2.gz XIHKOGQYILUOAG-JDNHERCYSA-N 0 0 346.314 2.995 10 5 EFBERN C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000846516378 1280219502 /nfs/dbraw/zinc/21/95/02/1280219502.db2.gz HXAQZDFWLOOZDV-FZKQIMNGSA-N 0 0 340.379 2.817 10 5 EFBERN C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000846516381 1280220389 /nfs/dbraw/zinc/22/03/89/1280220389.db2.gz HXAQZDFWLOOZDV-UGSOOPFHSA-N 0 0 340.379 2.817 10 5 EFBERN CCOC(=O)N(C)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC001129486558 1280221464 /nfs/dbraw/zinc/22/14/64/1280221464.db2.gz LWZVJLYNQWCEMO-UHFFFAOYSA-N 0 0 337.376 2.964 10 5 EFBERN COCC[C@](C)(O)CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804447981 1280226525 /nfs/dbraw/zinc/22/65/25/1280226525.db2.gz KYCMRBJHLVICGW-ZDUSSCGKSA-N 0 0 347.209 2.865 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846567495 1280262265 /nfs/dbraw/zinc/26/22/65/1280262265.db2.gz GOQKXUXFOGBJJP-CQSZACIVSA-N 0 0 326.299 2.621 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC2(F)F)C1 ZINC000846567494 1280262650 /nfs/dbraw/zinc/26/26/50/1280262650.db2.gz GOQKXUXFOGBJJP-AWEZNQCLSA-N 0 0 326.299 2.621 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H]2CC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000804513514 1280271564 /nfs/dbraw/zinc/27/15/64/1280271564.db2.gz OEXAPSXGLBXMQQ-VHSXEESVSA-N 0 0 325.390 2.781 10 5 EFBERN C[C@H](C[C@H](O)c1cccs1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000804566530 1280286757 /nfs/dbraw/zinc/28/67/57/1280286757.db2.gz UBAMRLPKOLRRHB-RNCFNFMXSA-N 0 0 337.401 2.655 10 5 EFBERN CC[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000804586427 1280307015 /nfs/dbraw/zinc/30/70/15/1280307015.db2.gz CHDXQZNVERCYMR-JTQLQIEISA-N 0 0 344.318 2.669 10 5 EFBERN O=C(NCC1(C(F)(F)F)CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000804602396 1280307399 /nfs/dbraw/zinc/30/73/99/1280307399.db2.gz FMHNHPMRSSKXES-UHFFFAOYSA-N 0 0 346.290 2.672 10 5 EFBERN CC(C)n1cc2c(n1)[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)CCC2 ZINC000804604842 1280310479 /nfs/dbraw/zinc/31/04/79/1280310479.db2.gz DYPDNJMNYUDFIB-OAHLLOKOSA-N 0 0 345.403 2.936 10 5 EFBERN Cc1ccc(N[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1Br ZINC000804612413 1280313739 /nfs/dbraw/zinc/31/37/39/1280313739.db2.gz QUJYYEZXKPGZRU-NTCNTBNZSA-N 0 0 335.223 2.845 10 5 EFBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCc2ccc(F)cc21 ZINC000846617439 1280322164 /nfs/dbraw/zinc/32/21/64/1280322164.db2.gz LPROVXYFDCBTHI-JTQLQIEISA-N 0 0 344.346 2.513 10 5 EFBERN O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc([N+](=O)[O-])s1 ZINC001129913864 1280368973 /nfs/dbraw/zinc/36/89/73/1280368973.db2.gz ONANQBARWRLTNJ-LLVKDONJSA-N 0 0 331.353 2.860 10 5 EFBERN O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc([N+](=O)[O-])c1 ZINC001129913882 1280369010 /nfs/dbraw/zinc/36/90/10/1280369010.db2.gz ORJVBWCLMBQZRU-HNNXBMFYSA-N 0 0 325.324 2.798 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000846664770 1280381800 /nfs/dbraw/zinc/38/18/00/1280381800.db2.gz NEGGYYWLIBAUSI-UHFFFAOYSA-N 0 0 326.780 2.839 10 5 EFBERN COC(=O)[C@@H]1CC12CCN(c1cc(OC)cc(F)c1[N+](=O)[O-])CC2 ZINC000747220829 1280390867 /nfs/dbraw/zinc/39/08/67/1280390867.db2.gz QGZIOMTVPOSLST-NSHDSACASA-N 0 0 338.335 2.522 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cnc(C(F)(F)F)nc1 ZINC001129998611 1280395296 /nfs/dbraw/zinc/39/52/96/1280395296.db2.gz MKJZTPGBFKYQCY-UHFFFAOYSA-N 0 0 326.234 2.585 10 5 EFBERN C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070647 1287419908 /nfs/dbraw/zinc/41/99/08/1287419908.db2.gz VTSVRWBOJWAOBX-WDMOLILDSA-N 0 0 328.384 2.543 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000747223883 1280404156 /nfs/dbraw/zinc/40/41/56/1280404156.db2.gz ILJGAPJMIOMJHO-WRWORJQWSA-N 0 0 338.257 2.899 10 5 EFBERN C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872074258 1287420184 /nfs/dbraw/zinc/42/01/84/1287420184.db2.gz ZTCAJOLVGNYGKP-GDKCJGSASA-N 0 0 332.331 2.879 10 5 EFBERN COc1ccc(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c(OC)n1 ZINC000872074135 1287420564 /nfs/dbraw/zinc/42/05/64/1287420564.db2.gz XKLGVRXHKUCDRI-JTQLQIEISA-N 0 0 335.335 2.997 10 5 EFBERN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001134960301 1287422031 /nfs/dbraw/zinc/42/20/31/1287422031.db2.gz SZYABCPNPSOHJD-UHFFFAOYSA-N 0 0 331.284 2.829 10 5 EFBERN Cc1cc(Cl)c(OS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1F ZINC000805115292 1280443518 /nfs/dbraw/zinc/44/35/18/1280443518.db2.gz DQEOUKNGOFGCIM-UHFFFAOYSA-N 0 0 346.723 2.858 10 5 EFBERN COc1cncc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001130078620 1280448569 /nfs/dbraw/zinc/44/85/69/1280448569.db2.gz URCAYPIGLRCUMG-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN CC1(O)CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000825575490 1287422836 /nfs/dbraw/zinc/42/28/36/1287422836.db2.gz NHUXJLKDGFBXEX-UHFFFAOYSA-N 0 0 342.783 2.646 10 5 EFBERN Cc1cc(NC(=O)c2ccccc2Cn2ccnn2)cc([N+](=O)[O-])c1 ZINC001134963122 1287424144 /nfs/dbraw/zinc/42/41/44/1287424144.db2.gz WAROUIXLNOKCBF-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN C[C@@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872086078 1287424137 /nfs/dbraw/zinc/42/41/37/1287424137.db2.gz UIHQDXCZCIMHTG-BXUZGUMPSA-N 0 0 343.358 2.972 10 5 EFBERN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872098154 1287428209 /nfs/dbraw/zinc/42/82/09/1287428209.db2.gz BIJRZUXIIDVEPV-RCBQFDQVSA-N 0 0 336.388 2.508 10 5 EFBERN Cc1c(C(=O)N[C@H]2C[C@@H]2C(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000805311390 1280529497 /nfs/dbraw/zinc/52/94/97/1280529497.db2.gz VGEVCJNDQYRMGQ-IUCAKERBSA-N 0 0 329.259 2.503 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CSc2ccccc2O1 ZINC001130168108 1280541361 /nfs/dbraw/zinc/54/13/61/1280541361.db2.gz OITRWQKSJQGKAM-CYBMUJFWSA-N 0 0 344.392 2.807 10 5 EFBERN CCOc1ccc(C(=O)OCc2cnccc2OC)cc1[N+](=O)[O-] ZINC000805369156 1280543189 /nfs/dbraw/zinc/54/31/89/1280543189.db2.gz NKULMZXPGCTTNZ-UHFFFAOYSA-N 0 0 332.312 2.754 10 5 EFBERN COc1cnc(F)c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000846882919 1280597202 /nfs/dbraw/zinc/59/72/02/1280597202.db2.gz GYUVPWLFEXUIRP-UHFFFAOYSA-N 0 0 347.346 2.890 10 5 EFBERN CC[C@H](SC)C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000747251389 1280610768 /nfs/dbraw/zinc/61/07/68/1280610768.db2.gz WBACVXGXHKZBSO-WOPDTQHZSA-N 0 0 327.406 2.960 10 5 EFBERN CC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000846948520 1280652092 /nfs/dbraw/zinc/65/20/92/1280652092.db2.gz AGAODTMAYQILHF-LBPRGKRZSA-N 0 0 333.388 2.531 10 5 EFBERN Cc1cccc(C(=O)N[C@H](C)C(=O)OCc2ccccc2)c1[N+](=O)[O-] ZINC001130289504 1280657891 /nfs/dbraw/zinc/65/78/91/1280657891.db2.gz JGGRFSMHBGFPSH-CYBMUJFWSA-N 0 0 342.351 2.765 10 5 EFBERN COc1ccc(CC(=O)Nc2cc3cc[nH]c3cn2)cc1[N+](=O)[O-] ZINC001130291733 1280659453 /nfs/dbraw/zinc/65/94/53/1280659453.db2.gz FQMZLONHZWQMAA-UHFFFAOYSA-N 0 0 326.312 2.661 10 5 EFBERN COc1cc(COC(=O)c2ccn(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000846985041 1280674429 /nfs/dbraw/zinc/67/44/29/1280674429.db2.gz DQUOWFLGSOCXFB-UHFFFAOYSA-N 0 0 333.344 2.912 10 5 EFBERN C[C@@H](OC(=O)c1ccnc2c1ncn2C)c1ccc([N+](=O)[O-])cc1 ZINC000805672649 1280674543 /nfs/dbraw/zinc/67/45/43/1280674543.db2.gz ARDOILYEGNVCCS-SNVBAGLBSA-N 0 0 326.312 2.795 10 5 EFBERN COc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001130312161 1280690841 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341.385 2.745 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814034155 1286254184 /nfs/dbraw/zinc/25/41/84/1286254184.db2.gz HHURYKWNVAUUEC-VIFPVBQESA-N 0 0 328.346 2.919 10 5 EFBERN COCCSCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000814008192 1286258487 /nfs/dbraw/zinc/25/84/87/1286258487.db2.gz BICRBXINKVUWLS-UHFFFAOYSA-N 0 0 327.402 2.795 10 5 EFBERN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814037305 1286269021 /nfs/dbraw/zinc/26/90/21/1286269021.db2.gz VRXSOTBONQEVCI-SECBINFHSA-N 0 0 328.390 2.863 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000814037451 1286269612 /nfs/dbraw/zinc/26/96/12/1286269612.db2.gz ANAJOYNGGQBZNR-CQSZACIVSA-N 0 0 345.351 2.853 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000814040599 1286272310 /nfs/dbraw/zinc/27/23/10/1286272310.db2.gz HXAMVQRHVSIYHZ-FBIMIBRVSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000814044084 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CNC(=O)c1cccc(N(C)C(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001134048574 1286276509 /nfs/dbraw/zinc/27/65/09/1286276509.db2.gz KQPGXJQWEZCCGZ-UHFFFAOYSA-N 0 0 341.367 2.848 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000814049539 1286277657 /nfs/dbraw/zinc/27/76/57/1286277657.db2.gz SICLYUGTCYCDQB-GJZGRUSLSA-N 0 0 334.416 2.538 10 5 EFBERN Cc1[nH]nc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1C ZINC001136610634 1289065472 /nfs/dbraw/zinc/06/54/72/1289065472.db2.gz JXZLKXMEKUMFOE-UHFFFAOYSA-N 0 0 344.306 2.512 10 5 EFBERN Cc1ncoc1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000814098314 1286315249 /nfs/dbraw/zinc/31/52/49/1286315249.db2.gz NUNIVGAJQNHXOZ-UHFFFAOYSA-N 0 0 328.227 2.850 10 5 EFBERN NC(=O)c1cc(NC(=O)CCc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC001134133465 1286359962 /nfs/dbraw/zinc/35/99/62/1286359962.db2.gz NPXNYJZXYKKWJL-UHFFFAOYSA-N 0 0 349.293 2.543 10 5 EFBERN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(C2CC2)n1 ZINC001134137297 1286387330 /nfs/dbraw/zinc/38/73/30/1286387330.db2.gz ITNMKTSNSWMMEB-UHFFFAOYSA-N 0 0 340.339 2.527 10 5 EFBERN CC(C)O[C@@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC001134170607 1286405810 /nfs/dbraw/zinc/40/58/10/1286405810.db2.gz OTFZZSQYSXZNRZ-QGZVFWFLSA-N 0 0 348.355 2.655 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2cnccc2OC)c([N+](=O)[O-])c1 ZINC000814259883 1286445372 /nfs/dbraw/zinc/44/53/72/1286445372.db2.gz GYBLXAVBTPIERI-GQCTYLIASA-N 0 0 343.339 2.797 10 5 EFBERN Cc1cc(OCC(=O)Nc2nccnc2C2CC2)ccc1[N+](=O)[O-] ZINC001134254871 1286494556 /nfs/dbraw/zinc/49/45/56/1286494556.db2.gz PZRAEJCNMZQZFC-UHFFFAOYSA-N 0 0 328.328 2.588 10 5 EFBERN CCOc1ccc(C(=O)Nc2nccnc2C2CC2)cc1[N+](=O)[O-] ZINC001134254569 1286495126 /nfs/dbraw/zinc/49/51/26/1286495126.db2.gz KJABNPMGXQCOJV-UHFFFAOYSA-N 0 0 328.328 2.913 10 5 EFBERN O=C(NCc1cccc2c1OCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001134257297 1286500588 /nfs/dbraw/zinc/50/05/88/1286500588.db2.gz KFXYQLHWMPVUTM-UHFFFAOYSA-N 0 0 348.305 2.938 10 5 EFBERN CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC001134358403 1286590373 /nfs/dbraw/zinc/59/03/73/1286590373.db2.gz YIEOKGRHNDHUCT-ZDUSSCGKSA-N 0 0 327.340 2.826 10 5 EFBERN C[C@@H]1Cc2cc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)ccc2O1 ZINC001134359166 1286591907 /nfs/dbraw/zinc/59/19/07/1286591907.db2.gz XXTJSXHRGPPJDC-SECBINFHSA-N 0 0 342.307 2.899 10 5 EFBERN C[C@H]1C[C@@H](COC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCO1 ZINC000814484173 1286653030 /nfs/dbraw/zinc/65/30/30/1286653030.db2.gz VGBOFGOGKRYJBH-QWRGUYRKSA-N 0 0 340.351 2.772 10 5 EFBERN CC[C@@H](C)C(=O)COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000814483686 1286654535 /nfs/dbraw/zinc/65/45/35/1286654535.db2.gz INPUJXUNZHZUTM-SECBINFHSA-N 0 0 326.324 2.572 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCS1 ZINC001134493311 1286811444 /nfs/dbraw/zinc/81/14/44/1286811444.db2.gz YJJRJUJQSGOKCR-PSASIEDQSA-N 0 0 325.346 2.517 10 5 EFBERN Cc1ncncc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001134564131 1286888878 /nfs/dbraw/zinc/88/88/78/1286888878.db2.gz OGLFIQYCGPRQER-UHFFFAOYSA-N 0 0 341.371 2.548 10 5 EFBERN CCOC(=O)c1csc(COc2cc(C=O)ccc2[N+](=O)[O-])n1 ZINC000814745112 1286987455 /nfs/dbraw/zinc/98/74/55/1286987455.db2.gz IYVPIAZTRWYVGW-UHFFFAOYSA-N 0 0 336.325 2.620 10 5 EFBERN CC(C)(CCC(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000871431585 1287060966 /nfs/dbraw/zinc/06/09/66/1287060966.db2.gz WWZCCLCGBWJJOU-MRXNPFEDSA-N 0 0 342.823 2.585 10 5 EFBERN C[C@@]1(C(F)(F)F)CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000871432959 1287062314 /nfs/dbraw/zinc/06/23/14/1287062314.db2.gz AUOGHLQOEBFCDK-LBPRGKRZSA-N 0 0 336.241 2.527 10 5 EFBERN C[C@]1(C(F)(F)F)CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000871440795 1287072229 /nfs/dbraw/zinc/07/22/29/1287072229.db2.gz VSXVQTAFXCEYJM-GFCCVEGCSA-N 0 0 336.241 2.527 10 5 EFBERN CCc1ccc(C(=O)N2CCO[C@](C)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000871441874 1287072716 /nfs/dbraw/zinc/07/27/16/1287072716.db2.gz LTPDGURWCYNYOM-AWEZNQCLSA-N 0 0 346.305 2.951 10 5 EFBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000871474792 1287097294 /nfs/dbraw/zinc/09/72/94/1287097294.db2.gz OFAYRBVOQZTDTL-CYBMUJFWSA-N 0 0 338.335 2.752 10 5 EFBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000871474558 1287097763 /nfs/dbraw/zinc/09/77/63/1287097763.db2.gz JQYCDHMXXFWORS-OAHLLOKOSA-N 0 0 348.399 2.850 10 5 EFBERN CCc1noc([C@@H]2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001134720368 1287105795 /nfs/dbraw/zinc/10/57/95/1287105795.db2.gz OTDUZJCHARXMQN-OLZOCXBDSA-N 0 0 344.371 2.535 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC3(CSC3)C2)c1 ZINC000871511560 1287119644 /nfs/dbraw/zinc/11/96/44/1287119644.db2.gz QPHTUCKUGPVNQY-UHFFFAOYSA-N 0 0 336.413 2.684 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000871574597 1287153257 /nfs/dbraw/zinc/15/32/57/1287153257.db2.gz VOOBSZOSDUETSD-AWEZNQCLSA-N 0 0 348.399 2.930 10 5 EFBERN COc1c(C(=O)NC[C@@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000871584788 1287162023 /nfs/dbraw/zinc/16/20/23/1287162023.db2.gz LGCWJHQDBRBDIV-LBPRGKRZSA-N 0 0 334.372 2.540 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC12CCOCC2 ZINC000871589511 1287164287 /nfs/dbraw/zinc/16/42/87/1287164287.db2.gz SAFLHSUNJQYBGK-ZDUSSCGKSA-N 0 0 336.363 2.599 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)C[C@@H]1OCCc2ccccc21 ZINC000871634438 1287182998 /nfs/dbraw/zinc/18/29/98/1287182998.db2.gz OAKSPXWHICIMEM-KRWDZBQOSA-N 0 0 347.392 2.824 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCOC[C@H]3CC3CCC3)cc2N1 ZINC000814958355 1287186923 /nfs/dbraw/zinc/18/69/23/1287186923.db2.gz NSGWLKAGTPJRPZ-CQSZACIVSA-N 0 0 345.399 2.875 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCOC[C@@H]3CC3CCC3)cc2N1 ZINC000814958354 1287187338 /nfs/dbraw/zinc/18/73/38/1287187338.db2.gz NSGWLKAGTPJRPZ-AWEZNQCLSA-N 0 0 345.399 2.875 10 5 EFBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000871649601 1287191500 /nfs/dbraw/zinc/19/15/00/1287191500.db2.gz IEMYROJBHASXQD-KXUCPTDWSA-N 0 0 330.182 2.820 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871651689 1287191846 /nfs/dbraw/zinc/19/18/46/1287191846.db2.gz KXHGQRJUSJEAHQ-QRTARXTBSA-N 0 0 341.367 2.776 10 5 EFBERN COC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001135226744 1287835727 /nfs/dbraw/zinc/83/57/27/1287835727.db2.gz XBQZGHQWVLPNHI-PHIMTYICSA-N 0 0 328.324 2.886 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC001135213298 1287838352 /nfs/dbraw/zinc/83/83/52/1287838352.db2.gz KTLRARDMEZVKMO-UHFFFAOYSA-N 0 0 341.371 2.815 10 5 EFBERN Cn1cc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)n1 ZINC000815837019 1287851663 /nfs/dbraw/zinc/85/16/63/1287851663.db2.gz XCELPOHFCCWNOP-UHFFFAOYSA-N 0 0 348.790 2.715 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC001179428356 1289137291 /nfs/dbraw/zinc/13/72/91/1289137291.db2.gz SNJBHRDCLSEAKT-GWCFXTLKSA-N 0 0 339.779 2.518 10 5 EFBERN O=C(NCc1cn2ccccc2n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001135286066 1287898836 /nfs/dbraw/zinc/89/88/36/1287898836.db2.gz COPGQMJXMHVNHJ-JKSUJKDBSA-N 0 0 336.351 2.662 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cc(F)ccc2N(C)C)n1 ZINC001135323981 1287932946 /nfs/dbraw/zinc/93/29/46/1287932946.db2.gz JSLPTWJILYSNLM-SNVBAGLBSA-N 0 0 349.366 2.507 10 5 EFBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCC(=O)CC1 ZINC000748043686 1287969749 /nfs/dbraw/zinc/96/97/49/1287969749.db2.gz XJHFNJWZAQSVKW-UHFFFAOYSA-N 0 0 328.328 2.683 10 5 EFBERN COc1nscc1CN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001176474617 1287995932 /nfs/dbraw/zinc/99/59/32/1287995932.db2.gz NYZSUKCQVIUDSY-UHFFFAOYSA-N 0 0 333.373 2.568 10 5 EFBERN CN(Cc1ccccc1Cl)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001135421629 1288020971 /nfs/dbraw/zinc/02/09/71/1288020971.db2.gz OJNPQYYHOZBGPA-HNNXBMFYSA-N 0 0 334.759 2.940 10 5 EFBERN COc1ccc(CC(=O)OCc2c(C)nsc2C)cc1[N+](=O)[O-] ZINC000816343721 1288064599 /nfs/dbraw/zinc/06/45/99/1288064599.db2.gz QSPQGMVFOUTKEK-UHFFFAOYSA-N 0 0 336.369 2.963 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(Cl)ccc2OC)c1[N+](=O)[O-] ZINC001135510854 1288067379 /nfs/dbraw/zinc/06/73/79/1288067379.db2.gz USHMIHLHGWVVGR-UHFFFAOYSA-N 0 0 336.735 2.946 10 5 EFBERN CO[C@@H](COC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000816373977 1288093838 /nfs/dbraw/zinc/09/38/38/1288093838.db2.gz SROUXARFQHMUKT-LBPRGKRZSA-N 0 0 344.161 2.939 10 5 EFBERN COc1cc(OCC(=O)OC[C@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000816394753 1288108077 /nfs/dbraw/zinc/10/80/77/1288108077.db2.gz ADMQKKSQTFEILQ-SNVBAGLBSA-N 0 0 345.298 2.961 10 5 EFBERN CC(C)(CCC(=O)NCCc1coc(-c2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000822979690 1289158949 /nfs/dbraw/zinc/15/89/49/1289158949.db2.gz CNIANXJXJQOYML-UHFFFAOYSA-N 0 0 349.362 2.975 10 5 EFBERN C[C@@H]1CCC(F)(F)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001176896201 1288182326 /nfs/dbraw/zinc/18/23/26/1288182326.db2.gz FDXMPAGBSGELSE-LLVKDONJSA-N 0 0 339.342 2.604 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001176952075 1288192779 /nfs/dbraw/zinc/19/27/79/1288192779.db2.gz KDNQJAXREXCBFZ-INIZCTEOSA-N 0 0 348.786 2.511 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC[C@@H]2C[C@H]3CCC[C@H]3O2)cc1[N+](=O)[O-] ZINC001176952149 1288192833 /nfs/dbraw/zinc/19/28/33/1288192833.db2.gz LOUVLJLLEAFKKJ-DFAYQTQMSA-N 0 0 339.779 2.518 10 5 EFBERN CCN(Cc1cn(C)nc1[N+](=O)[O-])Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001176960442 1288196327 /nfs/dbraw/zinc/19/63/27/1288196327.db2.gz YWFJGWWUTUHFLS-NSHDSACASA-N 0 0 349.460 2.932 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccncc1Br ZINC001177023133 1288231289 /nfs/dbraw/zinc/23/12/89/1288231289.db2.gz BZXACCWMOTVQDN-ZETCQYMHSA-N 0 0 340.133 2.836 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CN1CC(C)(C)C1 ZINC000816845635 1288301985 /nfs/dbraw/zinc/30/19/85/1288301985.db2.gz XVQLEBIHKZIYFP-UHFFFAOYSA-N 0 0 325.796 2.548 10 5 EFBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1NC)[C@@H](O)c1ccccc1 ZINC001177252256 1288351915 /nfs/dbraw/zinc/35/19/15/1288351915.db2.gz MOHZNFQOCQLYBS-YOEHRIQHSA-N 0 0 343.383 2.879 10 5 EFBERN CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001177253609 1288351945 /nfs/dbraw/zinc/35/19/45/1288351945.db2.gz ZETIEWNRIYJXMJ-CVEARBPZSA-N 0 0 332.331 2.976 10 5 EFBERN COC(=O)/C=C\c1ccc(NCCCC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000817125070 1288426968 /nfs/dbraw/zinc/42/69/68/1288426968.db2.gz KEPPINVUJKKDJH-ALCCZGGFSA-N 0 0 334.372 2.888 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3nc[nH]c(=O)c32)c1 ZINC001177486192 1288446236 /nfs/dbraw/zinc/44/62/36/1288446236.db2.gz ULDQCTDQHYZCRB-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000817203482 1288469527 /nfs/dbraw/zinc/46/95/27/1288469527.db2.gz LJOUNJMOLGRCMF-RVMXOQNASA-N 0 0 332.356 2.901 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000817207452 1288472358 /nfs/dbraw/zinc/47/23/58/1288472358.db2.gz TXRBXPFCEBOQAH-UMSGYPCISA-N 0 0 332.356 2.901 10 5 EFBERN COc1ncc(COC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)n1 ZINC000817238759 1288480785 /nfs/dbraw/zinc/48/07/85/1288480785.db2.gz MFUWDPRWTYEVRJ-UHFFFAOYSA-N 0 0 331.328 2.676 10 5 EFBERN O=C(COC1CCCC1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778792908 1297720069 /nfs/dbraw/zinc/72/00/69/1297720069.db2.gz QPJLZKMQILQFCF-MRXNPFEDSA-N 0 0 334.372 2.676 10 5 EFBERN Cc1nn(Cc2c(F)cccc2[N+](=O)[O-])c2ncc([N+](=O)[O-])cc12 ZINC001165735181 1312672145 /nfs/dbraw/zinc/67/21/45/1312672145.db2.gz GVUVGAIYNHXUQA-UHFFFAOYSA-N 0 0 331.263 2.744 10 5 EFBERN CCCSCC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177676634 1288505722 /nfs/dbraw/zinc/50/57/22/1288505722.db2.gz XTGVDUVCDCJMLO-UHFFFAOYSA-N 0 0 336.417 2.663 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1ccc2c(c1)OCO2 ZINC001135877228 1288536031 /nfs/dbraw/zinc/53/60/31/1288536031.db2.gz GSDGUZRMDFFCMA-UHFFFAOYSA-N 0 0 346.314 2.744 10 5 EFBERN CCc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nn1C ZINC000817498870 1288638120 /nfs/dbraw/zinc/63/81/20/1288638120.db2.gz OAXRZHNNGBRICV-UHFFFAOYSA-N 0 0 340.286 2.744 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC12CCSCC2 ZINC000817620091 1288684143 /nfs/dbraw/zinc/68/41/43/1288684143.db2.gz GEXLCIYXQQHCEF-VIFPVBQESA-N 0 0 339.392 2.579 10 5 EFBERN CNc1nccc(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC001178158740 1288684804 /nfs/dbraw/zinc/68/48/04/1288684804.db2.gz XNDYRFGTTBIEJD-MRXNPFEDSA-N 0 0 348.403 2.501 10 5 EFBERN Cc1nn(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c1Br ZINC000821663437 1288771827 /nfs/dbraw/zinc/77/18/27/1288771827.db2.gz XFTAWPKLQMDUIY-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN CO[C@]12CCC[C@@]1(C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000821721101 1288790127 /nfs/dbraw/zinc/79/01/27/1288790127.db2.gz XGIUIEGASZMZST-ZLIFDBKOSA-N 0 0 334.372 2.705 10 5 EFBERN Cc1nc2cc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)ccc2s1 ZINC001178576458 1288830781 /nfs/dbraw/zinc/83/07/81/1288830781.db2.gz ZPENSQHSCXWXEK-UHFFFAOYSA-N 0 0 329.341 2.742 10 5 EFBERN CC(C)Oc1cncc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001277648086 1312675689 /nfs/dbraw/zinc/67/56/89/1312675689.db2.gz DRKAKEOJUGFKHZ-KBPBESRZSA-N 0 0 342.355 2.914 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cn2ccnc2s1 ZINC000785415686 1288874745 /nfs/dbraw/zinc/87/47/45/1288874745.db2.gz MPHGRMIPRLCBBA-UHFFFAOYSA-N 0 0 336.760 2.887 10 5 EFBERN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ncon1 ZINC001178715088 1288884084 /nfs/dbraw/zinc/88/40/84/1288884084.db2.gz RGILVDWGSSOOES-ZETCQYMHSA-N 0 0 344.249 2.530 10 5 EFBERN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ncon1 ZINC001178715087 1288884346 /nfs/dbraw/zinc/88/43/46/1288884346.db2.gz RGILVDWGSSOOES-SSDOTTSWSA-N 0 0 344.249 2.530 10 5 EFBERN O=C(N[C@H]1CCCOc2ccccc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136545995 1288891309 /nfs/dbraw/zinc/89/13/09/1288891309.db2.gz SFSBITBRVQAAQM-VIFPVBQESA-N 0 0 336.735 2.615 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)c1cc(F)cc(F)c1 ZINC001178813639 1288906605 /nfs/dbraw/zinc/90/66/05/1288906605.db2.gz BOBFOXGICLGDRQ-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN Cc1cc(Cl)c(C(=O)N(C)Cc2cccc(=O)[nH]2)cc1[N+](=O)[O-] ZINC001178776900 1288925398 /nfs/dbraw/zinc/92/53/98/1288925398.db2.gz STJSCNWIKJQAIN-UHFFFAOYSA-N 0 0 335.747 2.929 10 5 EFBERN Cc1cc(OCC(=O)NC2CC(Cl)(Cl)C2)ccc1[N+](=O)[O-] ZINC001178878068 1288954851 /nfs/dbraw/zinc/95/48/51/1288954851.db2.gz KPLGGDWINGIWNT-UHFFFAOYSA-N 0 0 333.171 2.735 10 5 EFBERN CCCc1n[nH]c(C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)c1[N+](=O)[O-] ZINC001178937768 1288977834 /nfs/dbraw/zinc/97/78/34/1288977834.db2.gz WHVLPEMZGJFUGW-JTQLQIEISA-N 0 0 338.408 2.594 10 5 EFBERN CCOC(=O)c1cc(COc2c(Cl)cccc2[N+](=O)[O-])on1 ZINC001165855879 1312692245 /nfs/dbraw/zinc/69/22/45/1312692245.db2.gz CPZTYDZSFKEHOY-UHFFFAOYSA-N 0 0 326.692 2.992 10 5 EFBERN COc1cccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c1C ZINC001165856065 1312692398 /nfs/dbraw/zinc/69/23/98/1312692398.db2.gz GKWIJMXKWDEHFP-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)C1=O ZINC000823254389 1289250078 /nfs/dbraw/zinc/25/00/78/1289250078.db2.gz WBKYSMQUXJREJI-RKDXNWHRSA-N 0 0 325.752 2.937 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ncnn21 ZINC000823253849 1289250534 /nfs/dbraw/zinc/25/05/34/1289250534.db2.gz PGCZSXXZCYZEPU-VXNVDRBHSA-N 0 0 336.739 2.667 10 5 EFBERN Cc1ccccc1Cc1nnn(Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001165877365 1312696179 /nfs/dbraw/zinc/69/61/79/1312696179.db2.gz IKPCOUCAJDXCEP-UHFFFAOYSA-N 0 0 327.319 2.668 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001179875186 1289301013 /nfs/dbraw/zinc/30/10/13/1289301013.db2.gz NKARGDQJPMKVJP-UHFFFAOYSA-N 0 0 329.312 2.524 10 5 EFBERN COc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1OC ZINC001179875478 1289301273 /nfs/dbraw/zinc/30/12/73/1289301273.db2.gz XNMUEVJDDWLXFQ-UHFFFAOYSA-N 0 0 331.328 2.755 10 5 EFBERN Cc1ccc(NC(=O)c2cccc(C[S@](C)=O)c2)c(N)c1[N+](=O)[O-] ZINC001179875064 1289301750 /nfs/dbraw/zinc/30/17/50/1289301750.db2.gz MXJPWMSQAPPFFO-DEOSSOPVSA-N 0 0 347.396 2.616 10 5 EFBERN Cc1ccc(NC(=O)c2cccnc2OC(C)C)c(N)c1[N+](=O)[O-] ZINC001179879494 1289303539 /nfs/dbraw/zinc/30/35/39/1289303539.db2.gz LZBSELUKPHCOQK-UHFFFAOYSA-N 0 0 330.344 2.920 10 5 EFBERN Cc1ccc(NC(=O)c2cccc(OC(C)C)n2)c(N)c1[N+](=O)[O-] ZINC001179878589 1289303698 /nfs/dbraw/zinc/30/36/98/1289303698.db2.gz BNMSUQRMFMUUJE-UHFFFAOYSA-N 0 0 330.344 2.920 10 5 EFBERN Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)n[nH]c1C(F)(F)F ZINC001179878944 1289303893 /nfs/dbraw/zinc/30/38/93/1289303893.db2.gz GTVOYVPTEFHWCU-UHFFFAOYSA-N 0 0 343.265 2.788 10 5 EFBERN CC(=O)c1ccc(OC[C@@H]2CCC[C@@]3(CCOC3)O2)c([N+](=O)[O-])c1 ZINC001165896186 1312699998 /nfs/dbraw/zinc/69/99/98/1312699998.db2.gz AMOHPTGDCYAOPO-YOEHRIQHSA-N 0 0 335.356 2.904 10 5 EFBERN CCOC(=O)[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872784230 1289381550 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COc1cc(C(=O)N[C@H]2CCc3c2cccc3O)c([N+](=O)[O-])cc1F ZINC001136796396 1289492268 /nfs/dbraw/zinc/49/22/68/1289492268.db2.gz HGSFEANEPUXFER-ZDUSSCGKSA-N 0 0 346.314 2.865 10 5 EFBERN Nc1ccc(NC(=O)N2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000823920794 1289493413 /nfs/dbraw/zinc/49/34/13/1289493413.db2.gz CSALXAJBUJMNFK-ZDUSSCGKSA-N 0 0 326.303 2.830 10 5 EFBERN Nc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000823933389 1289495077 /nfs/dbraw/zinc/49/50/77/1289495077.db2.gz PZCUBAXTGVWPTL-JGGQBBKZSA-N 0 0 348.403 2.724 10 5 EFBERN Nc1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000823981579 1289505693 /nfs/dbraw/zinc/50/56/93/1289505693.db2.gz ZYZHFWAVKGRDCD-AWEZNQCLSA-N 0 0 348.384 2.844 10 5 EFBERN Nc1ccc(NC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000823987734 1289506643 /nfs/dbraw/zinc/50/66/43/1289506643.db2.gz QRSXUNSLEMXILZ-MRXNPFEDSA-N 0 0 334.376 2.602 10 5 EFBERN Cn1cc([C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000823985584 1289507433 /nfs/dbraw/zinc/50/74/33/1289507433.db2.gz BKFZNXORASNDPC-AWEZNQCLSA-N 0 0 346.391 2.819 10 5 EFBERN CC1(C)CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC001136810334 1289527912 /nfs/dbraw/zinc/52/79/12/1289527912.db2.gz XYYUAJSPPXOTMS-UHFFFAOYSA-N 0 0 326.780 2.818 10 5 EFBERN CCOc1ccc([C@H](C)NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000824187459 1289550659 /nfs/dbraw/zinc/55/06/59/1289550659.db2.gz HSKBGECGWQUIJT-SJCJKPOMSA-N 0 0 344.367 2.904 10 5 EFBERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840159 1289578028 /nfs/dbraw/zinc/57/80/28/1289578028.db2.gz FTPGGYDAKQNUKS-FTOGJNOLSA-N 0 0 336.413 2.840 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1c2ccccc2C[C@H]1CO ZINC001166036330 1312721541 /nfs/dbraw/zinc/72/15/41/1312721541.db2.gz MBZBVRPBCYRTGO-ZDUSSCGKSA-N 0 0 337.335 2.640 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1c2ccccc2C[C@@H]1CO ZINC001166035835 1312721696 /nfs/dbraw/zinc/72/16/96/1312721696.db2.gz FLXSNIBBRVZBKG-GFCCVEGCSA-N 0 0 332.743 2.812 10 5 EFBERN Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001181022790 1289680309 /nfs/dbraw/zinc/68/03/09/1289680309.db2.gz ZGCZHPZIJGSHGN-UHFFFAOYSA-N 0 0 330.300 2.862 10 5 EFBERN COc1cc(C(=O)Nc2cc3oc(=O)[nH]c3cc2F)ccc1[N+](=O)[O-] ZINC001166063440 1312726201 /nfs/dbraw/zinc/72/62/01/1312726201.db2.gz IMKJRFJTKVKHOY-UHFFFAOYSA-N 0 0 347.258 2.842 10 5 EFBERN COC[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001136885758 1289691051 /nfs/dbraw/zinc/69/10/51/1289691051.db2.gz JMQZROCLBNSHPO-ZDUSSCGKSA-N 0 0 341.367 2.765 10 5 EFBERN CNc1c(C(=O)Nc2cc(-c3cccnc3)[nH]n2)cccc1[N+](=O)[O-] ZINC001181253044 1289743252 /nfs/dbraw/zinc/74/32/52/1289743252.db2.gz CXSFSCFVGLJJQT-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN CN(C(=O)CCC1(C)CC1)C1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001277682952 1312735387 /nfs/dbraw/zinc/73/53/87/1312735387.db2.gz ZDKZNMFDTRNFAG-UHFFFAOYSA-N 0 0 331.416 2.818 10 5 EFBERN CO[C@]12CCC[C@@]1(C(=O)OCc1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000873446964 1289822579 /nfs/dbraw/zinc/82/25/79/1289822579.db2.gz LRVKJIGIBQYZRA-IRXDYDNUSA-N 0 0 335.356 2.880 10 5 EFBERN CO[C@@H](Cn1cnc2sc([N+](=O)[O-])cc2c1=O)c1ccc(F)cc1 ZINC001166154662 1312738612 /nfs/dbraw/zinc/73/86/12/1312738612.db2.gz CIAZAVDCRNXAJV-LBPRGKRZSA-N 0 0 349.343 2.893 10 5 EFBERN O=C(Cc1ccc(F)cn1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803513846 1312741230 /nfs/dbraw/zinc/74/12/30/1312741230.db2.gz YCGFYYWTNWEDBJ-UHFFFAOYSA-N 0 0 326.230 2.693 10 5 EFBERN CC(C)(C)[C@@H]1C[C@H](OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000873569063 1289932100 /nfs/dbraw/zinc/93/21/00/1289932100.db2.gz BGLUMEDLMOVEIL-OLZOCXBDSA-N 0 0 339.392 2.663 10 5 EFBERN O=C(O[C@H]1CCOC2(CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000873581862 1289941968 /nfs/dbraw/zinc/94/19/68/1289941968.db2.gz XFWBREZXZJIVTQ-NSHDSACASA-N 0 0 349.339 2.972 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CCOC2(CCCC2)C1 ZINC000873581690 1289942256 /nfs/dbraw/zinc/94/22/56/1289942256.db2.gz QTFTURIYSHLBKG-ZDUSSCGKSA-N 0 0 337.376 2.525 10 5 EFBERN COc1ccccc1[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817547749 1289956965 /nfs/dbraw/zinc/95/69/65/1289956965.db2.gz HJGIMTCGMNEHDV-INIZCTEOSA-N 0 0 344.367 2.684 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCCCNC1=O ZINC000873613224 1289967265 /nfs/dbraw/zinc/96/72/65/1289967265.db2.gz YSVYDEOOTPXHSE-GJZGRUSLSA-N 0 0 348.399 2.623 10 5 EFBERN O=C(OC[C@H]1CCCCNC1=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000873620841 1289974007 /nfs/dbraw/zinc/97/40/07/1289974007.db2.gz ODVRBHOCIWXHPV-SNVBAGLBSA-N 0 0 348.380 2.883 10 5 EFBERN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1CC12CC2 ZINC000873627023 1289976860 /nfs/dbraw/zinc/97/68/60/1289976860.db2.gz PUFVGLJJBIURLT-OCCSQVGLSA-N 0 0 346.383 2.777 10 5 EFBERN O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)[C@@H]1Cc2ccccc21 ZINC000795542352 1290062288 /nfs/dbraw/zinc/06/22/88/1290062288.db2.gz JEZVVRCGNDHCQO-LLVKDONJSA-N 0 0 347.273 2.939 10 5 EFBERN 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COCCc1nc(COc2c(F)cc([N+](=O)[O-])cc2Cl)no1 ZINC001190243589 1292077249 /nfs/dbraw/zinc/07/72/49/1292077249.db2.gz YOEKFUWXQIKTJR-UHFFFAOYSA-N 0 0 331.687 2.538 10 5 EFBERN C[C@H](OC(=O)CCC(=O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000796155241 1292129056 /nfs/dbraw/zinc/12/90/56/1292129056.db2.gz BMMSBPWSUXKFNO-NSHDSACASA-N 0 0 331.328 2.596 10 5 EFBERN Cc1ccc(COC(=O)c2cnn(-c3ccncc3)c2)cc1[N+](=O)[O-] ZINC001273602351 1292184060 /nfs/dbraw/zinc/18/40/60/1292184060.db2.gz ZSBSVYCQAATKCE-UHFFFAOYSA-N 0 0 338.323 2.841 10 5 EFBERN Cc1ccc(/C=C/S(=O)(=O)Nc2cccc([N+](=O)[O-])c2N)cc1 ZINC000095939654 1292582957 /nfs/dbraw/zinc/58/29/57/1292582957.db2.gz DXWSGRTUXDISSC-MDZDMXLPSA-N 0 0 333.369 2.898 10 5 EFBERN CC(=O)CCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001191809573 1292653110 /nfs/dbraw/zinc/65/31/10/1292653110.db2.gz HVHLEGAGESDPNZ-UHFFFAOYSA-N 0 0 342.417 2.721 10 5 EFBERN CCCc1[nH]nc(C(=O)OCc2nc(C3CCCC3)no2)c1[N+](=O)[O-] ZINC000796265724 1292677727 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/nfs/dbraw/zinc/68/78/84/1316687884.db2.gz ZAJWGAGJKOHICW-UHFFFAOYSA-N 0 0 332.287 2.669 10 5 EFBERN CC(C)(F)C(=O)NCCCN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001265150630 1316739582 /nfs/dbraw/zinc/73/95/82/1316739582.db2.gz IXVMAXTVGVNLEE-UHFFFAOYSA-N 0 0 343.424 2.875 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(-c2ccccc2)ns1 ZINC001265244231 1316764221 /nfs/dbraw/zinc/76/42/21/1316764221.db2.gz UJRXWPVXEOZKRN-UHFFFAOYSA-N 0 0 343.368 2.862 10 5 EFBERN Cc1nc(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)ccc1[N+](=O)[O-] ZINC001265687251 1316854071 /nfs/dbraw/zinc/85/40/71/1316854071.db2.gz QUNGYDCXUGGKIK-ZDUSSCGKSA-N 0 0 349.387 2.603 10 5 EFBERN CC[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1noc(C)n1 ZINC001265768322 1316874199 /nfs/dbraw/zinc/87/41/99/1316874199.db2.gz YGVMTBAFXUKMIO-CQSZACIVSA-N 0 0 344.371 2.975 10 5 EFBERN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)NCCn1cc([N+](=O)[O-])cn1 ZINC001265980063 1316936945 /nfs/dbraw/zinc/93/69/45/1316936945.db2.gz BJBCDEUHBPJOBB-GHMZBOCLSA-N 0 0 348.325 2.666 10 5 EFBERN CCN(CCCNC(=O)c1ccncc1)Cc1csc([N+](=O)[O-])c1 ZINC001266014787 1316953123 /nfs/dbraw/zinc/95/31/23/1316953123.db2.gz IGYSUHHXACCBDX-UHFFFAOYSA-N 0 0 348.428 2.693 10 5 EFBERN COc1cnc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC001266168574 1317118101 /nfs/dbraw/zinc/11/81/01/1317118101.db2.gz YBSCPCHWLIBOLI-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCc2cc[nH]c(=O)c21 ZINC001279196247 1317207855 /nfs/dbraw/zinc/20/78/55/1317207855.db2.gz ONFFHWIAUBHQCD-UHFFFAOYSA-N 0 0 333.731 2.942 10 5 EFBERN CN(CCNC(=O)c1csc(Cl)c1)c1ncccc1[N+](=O)[O-] ZINC001316594416 1317216389 /nfs/dbraw/zinc/21/63/89/1317216389.db2.gz DCGIMMDMHNTAHO-UHFFFAOYSA-N 0 0 340.792 2.571 10 5 EFBERN C=CC(=O)Nc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001318932109 1328744301 /nfs/dbraw/zinc/74/43/01/1328744301.db2.gz FMJHDZPMGDMRKN-UHFFFAOYSA-N 0 0 337.335 2.875 10 5 EFBERN CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cocn1 ZINC001284528952 1320405313 /nfs/dbraw/zinc/40/53/13/1320405313.db2.gz CSNRQJHYLXKRQS-UHFFFAOYSA-N 0 0 346.387 2.565 10 5 EFBERN CC(C)=CC(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001284879705 1320577950 /nfs/dbraw/zinc/57/79/50/1320577950.db2.gz FFFPIIJURFVFOT-UHFFFAOYSA-N 0 0 329.400 2.809 10 5 EFBERN Cc1nc(-c2ccccc2)oc1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001287678125 1321514411 /nfs/dbraw/zinc/51/44/11/1321514411.db2.gz IOSDMZCEUVLKRI-UHFFFAOYSA-N 0 0 342.311 2.649 10 5 EFBERN COc1cccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1OC ZINC001287961815 1321562001 /nfs/dbraw/zinc/56/20/01/1321562001.db2.gz FBIMBRZJLVNQFO-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN COc1c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001287962610 1321562921 /nfs/dbraw/zinc/56/29/21/1321562921.db2.gz YQBXXVRWUBICIO-UHFFFAOYSA-N 0 0 345.311 2.750 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCc2c(=O)[nH]cnc21 ZINC001288088100 1321599173 /nfs/dbraw/zinc/59/91/73/1321599173.db2.gz JKCSZEDXMONMBS-UHFFFAOYSA-N 0 0 342.355 2.609 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001288211238 1321617816 /nfs/dbraw/zinc/61/78/16/1321617816.db2.gz DRBLRXBPKAXDQL-DAXSKMNVSA-N 0 0 344.283 2.559 10 5 EFBERN COc1ccc(C(=O)NCc2ccc(C)nc2Cl)cc1[N+](=O)[O-] ZINC001288358292 1321649494 /nfs/dbraw/zinc/64/94/94/1321649494.db2.gz XIPPVVVJUSFBAY-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001288543208 1321707305 /nfs/dbraw/zinc/70/73/05/1321707305.db2.gz IOFLPSGGFNTMDW-JTQLQIEISA-N 0 0 326.312 2.930 10 5 EFBERN CCNc1ccc(C(=O)NCc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC001288715093 1321744168 /nfs/dbraw/zinc/74/41/68/1321744168.db2.gz AQGSEPBJRDRYDP-UHFFFAOYSA-N 0 0 330.344 2.822 10 5 EFBERN C[C@@H](NC(=O)c1ccccc1-n1ccnn1)c1ccc([N+](=O)[O-])cc1 ZINC001288749078 1321751821 /nfs/dbraw/zinc/75/18/21/1321751821.db2.gz HVEUGQGCUAUCGA-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN C[C@H](NC(=O)Cc1nn(C)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC001288790898 1321760422 /nfs/dbraw/zinc/76/04/22/1321760422.db2.gz GADBXLWQOMVBJI-LBPRGKRZSA-N 0 0 338.367 2.901 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N=[S@](C)(=O)C2CCCCC2)n1 ZINC001289027315 1321798532 /nfs/dbraw/zinc/79/85/32/1321798532.db2.gz PBHIQKHCKLCPHK-JOCHJYFZSA-N 0 0 325.390 2.869 10 5 EFBERN CCOC(=O)[C@](C)(NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC001289092142 1321799889 /nfs/dbraw/zinc/79/98/89/1321799889.db2.gz AHGQFGVKJZSWQP-ZDUSSCGKSA-N 0 0 348.277 2.517 10 5 EFBERN Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(C)c1 ZINC001289254887 1321809467 /nfs/dbraw/zinc/80/94/67/1321809467.db2.gz FFGVDALCSFMIMX-UHFFFAOYSA-N 0 0 341.367 2.882 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(F)cc1F ZINC001289254923 1321810009 /nfs/dbraw/zinc/81/00/09/1321810009.db2.gz FNDAHNBXFYXKJG-MRVPVSSYSA-N 0 0 349.293 2.714 10 5 EFBERN Cc1cc(C)c(CC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(C)c1 ZINC001289255606 1321810044 /nfs/dbraw/zinc/81/00/44/1321810044.db2.gz MIOTZOWNQNSAGJ-UHFFFAOYSA-N 0 0 341.367 2.800 10 5 EFBERN C[S@@](=O)(=NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC001289285884 1321811112 /nfs/dbraw/zinc/81/11/12/1321811112.db2.gz WXULHZLWYULIDA-QFIPXVFZSA-N 0 0 339.760 2.940 10 5 EFBERN Cc1noc(C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)n1 ZINC001289339561 1321813163 /nfs/dbraw/zinc/81/31/63/1321813163.db2.gz BVABZFQPQFRTDH-NSHDSACASA-N 0 0 348.334 2.520 10 5 EFBERN C[C@@H](CNC(=O)Cc1cnn2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001289349575 1321813539 /nfs/dbraw/zinc/81/35/39/1321813539.db2.gz TVSOKSWBOZGAEI-ZDUSSCGKSA-N 0 0 338.367 2.705 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCOc3c(F)cccc32)n1 ZINC001289364564 1321813881 /nfs/dbraw/zinc/81/38/81/1321813881.db2.gz RSWWCNXTHGTGDV-CYBMUJFWSA-N 0 0 331.303 2.691 10 5 EFBERN O=C(N[C@@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001289458355 1321817766 /nfs/dbraw/zinc/81/77/66/1321817766.db2.gz SFDZYMXQBYIKDN-CQSZACIVSA-N 0 0 342.311 2.705 10 5 EFBERN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)n1 ZINC001289491202 1321818593 /nfs/dbraw/zinc/81/85/93/1321818593.db2.gz SSTWHQGFPWTGDR-CHWSQXEVSA-N 0 0 344.371 2.915 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CCN2C ZINC001289775368 1321826327 /nfs/dbraw/zinc/82/63/27/1321826327.db2.gz LAJUQWCDHKLCJP-ZDUSSCGKSA-N 0 0 340.383 2.885 10 5 EFBERN Cc1cc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC001289785976 1321827734 /nfs/dbraw/zinc/82/77/34/1321827734.db2.gz SZNYMBUPZLANJA-UHFFFAOYSA-N 0 0 345.399 2.880 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cn(C)nc1C(F)F ZINC001289913586 1321836810 /nfs/dbraw/zinc/83/68/10/1321836810.db2.gz PXLLAFXMMJRVMA-UHFFFAOYSA-N 0 0 326.259 2.527 10 5 EFBERN Cc1c(NC(=O)c2ccc3c(c2)N(C)CCO3)cccc1[N+](=O)[O-] ZINC001290028573 1321865369 /nfs/dbraw/zinc/86/53/69/1321865369.db2.gz MCKYIPBYXFMYMG-UHFFFAOYSA-N 0 0 327.340 2.984 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccccn1 ZINC001290050390 1321870505 /nfs/dbraw/zinc/87/05/05/1321870505.db2.gz KGZMLWBNBLERDO-NSHDSACASA-N 0 0 347.396 2.565 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001290215473 1321884583 /nfs/dbraw/zinc/88/45/83/1321884583.db2.gz AIGJGIFOMGMKBP-UHFFFAOYSA-N 0 0 340.339 2.556 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1ccc(C(N)=O)cc1 ZINC001290215772 1321884619 /nfs/dbraw/zinc/88/46/19/1321884619.db2.gz IVONSHSPLPBSAX-UHFFFAOYSA-N 0 0 341.367 2.583 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001290382810 1321908312 /nfs/dbraw/zinc/90/83/12/1321908312.db2.gz UQUQVNGATGXLFP-UHFFFAOYSA-N 0 0 337.238 2.751 10 5 EFBERN NC(=O)Nc1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001290485454 1321917153 /nfs/dbraw/zinc/91/71/53/1321917153.db2.gz ZIJSOLIPMIRRDB-UHFFFAOYSA-N 0 0 346.318 2.796 10 5 EFBERN CC1SC(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)=NC1=O ZINC001290652181 1321939538 /nfs/dbraw/zinc/93/95/38/1321939538.db2.gz SPWRPAMNYIQIMK-UHFFFAOYSA-N 0 0 341.776 2.991 10 5 EFBERN O=C(Cc1nc(C2CC2)cs1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001290822288 1321963927 /nfs/dbraw/zinc/96/39/27/1321963927.db2.gz DWISVBXJXJJFHO-UHFFFAOYSA-N 0 0 346.412 2.700 10 5 EFBERN CO[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(C)(C)C ZINC001306981172 1321977675 /nfs/dbraw/zinc/97/76/75/1321977675.db2.gz OBVBBTMYTUQERZ-CQSZACIVSA-N 0 0 348.359 2.946 10 5 EFBERN CO[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(C)(C)C ZINC001306981170 1321978305 /nfs/dbraw/zinc/97/83/05/1321978305.db2.gz OBVBBTMYTUQERZ-AWEZNQCLSA-N 0 0 348.359 2.946 10 5 EFBERN C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001291742660 1322004667 /nfs/dbraw/zinc/00/46/67/1322004667.db2.gz ROQFNUMIRXKUBZ-QMTHXVAHSA-N 0 0 330.344 2.660 10 5 EFBERN COc1cccc2c(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cnn21 ZINC001291742641 1322005095 /nfs/dbraw/zinc/00/50/95/1322005095.db2.gz RDXUPSFDMMCOBZ-LLVKDONJSA-N 0 0 340.339 2.742 10 5 EFBERN C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001291742661 1322005256 /nfs/dbraw/zinc/00/52/56/1322005256.db2.gz ROQFNUMIRXKUBZ-YGRLFVJLSA-N 0 0 330.344 2.660 10 5 EFBERN CC(C)Oc1ccccc1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001291885148 1322020627 /nfs/dbraw/zinc/02/06/27/1322020627.db2.gz SWUMDDYWSQNDSH-UHFFFAOYSA-N 0 0 338.751 2.689 10 5 EFBERN Cc1cn2cc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])ccc2n1 ZINC001292436216 1322074935 /nfs/dbraw/zinc/07/49/35/1322074935.db2.gz YOLZNMWOPIAOIW-UHFFFAOYSA-N 0 0 328.303 2.871 10 5 EFBERN O=C(Nc1cnn(C(F)F)c1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001292447755 1322076114 /nfs/dbraw/zinc/07/61/14/1322076114.db2.gz XZVNMWNUSCCFIX-UHFFFAOYSA-N 0 0 348.269 2.829 10 5 EFBERN C[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001292479357 1322080448 /nfs/dbraw/zinc/08/04/48/1322080448.db2.gz YEOVQIQZTVZLSX-ZETCQYMHSA-N 0 0 326.715 2.644 10 5 EFBERN CC(C)N(C)c1cccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001292872395 1322140244 /nfs/dbraw/zinc/14/02/44/1322140244.db2.gz QFSGRTZHORNVEZ-UHFFFAOYSA-N 0 0 329.360 2.669 10 5 EFBERN CN(Cc1ncc[nH]1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001292947873 1322158490 /nfs/dbraw/zinc/15/84/90/1322158490.db2.gz XACWILIJDMNOAG-UHFFFAOYSA-N 0 0 328.250 2.609 10 5 EFBERN COc1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc2c1OCCO2 ZINC001319828301 1329006480 /nfs/dbraw/zinc/00/64/80/1329006480.db2.gz HRSOTMWJIPMJFJ-UHFFFAOYSA-N 0 0 342.351 2.890 10 5 EFBERN Cc1cc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[nH]n1 ZINC001293380183 1322240421 /nfs/dbraw/zinc/24/04/21/1322240421.db2.gz NQOKYZLHCIHSOX-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001293391679 1322242466 /nfs/dbraw/zinc/24/24/66/1322242466.db2.gz BBBRUIFASWBBRM-ZMZPIMSZSA-N 0 0 345.399 2.857 10 5 EFBERN Cc1cccc2nc(CNC(=O)Cc3cccc(F)c3[N+](=O)[O-])cn21 ZINC001293405588 1322246791 /nfs/dbraw/zinc/24/67/91/1322246791.db2.gz ATMDALFWTJNNMC-UHFFFAOYSA-N 0 0 342.330 2.549 10 5 EFBERN O=C(NCCc1ncc[nH]1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001293565571 1322286321 /nfs/dbraw/zinc/28/63/21/1322286321.db2.gz MZIHRPAUMPMUJD-UHFFFAOYSA-N 0 0 347.133 2.736 10 5 EFBERN O=C(c1ccc(Cc2nnc[nH]2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001293826300 1322362990 /nfs/dbraw/zinc/36/29/90/1322362990.db2.gz CTYFDQIOTONQTL-UHFFFAOYSA-N 0 0 349.350 2.507 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cnc([C@@H](C)O)s2)cc1[N+](=O)[O-] ZINC001294093907 1322407424 /nfs/dbraw/zinc/40/74/24/1322407424.db2.gz FCCQNMJVPBRIQR-VHSXEESVSA-N 0 0 335.385 2.904 10 5 EFBERN CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1(CC)CC ZINC001294130822 1322413809 /nfs/dbraw/zinc/41/38/09/1322413809.db2.gz ONLGRVWUHFWKML-CABCVRRESA-N 0 0 335.404 2.891 10 5 EFBERN C[C@H](C(=O)N1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001294148865 1322418350 /nfs/dbraw/zinc/41/83/50/1322418350.db2.gz RYTIHXZBYVFGEZ-KPXOXKRLSA-N 0 0 328.290 2.951 10 5 EFBERN C[C@H](C(=O)N1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001294148864 1322418454 /nfs/dbraw/zinc/41/84/54/1322418454.db2.gz RYTIHXZBYVFGEZ-AXTRIDKLSA-N 0 0 328.290 2.951 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC2(CCOCC2)CC1 ZINC001294426236 1322480492 /nfs/dbraw/zinc/48/04/92/1322480492.db2.gz CUUBFXYIAIFRMI-UHFFFAOYSA-N 0 0 333.388 2.646 10 5 EFBERN CC1(C)C(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1(C)C ZINC001294463928 1322487574 /nfs/dbraw/zinc/48/75/74/1322487574.db2.gz QFAHZTCCVJUEHC-UHFFFAOYSA-N 0 0 338.429 2.844 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC001294681460 1322542346 /nfs/dbraw/zinc/54/23/46/1322542346.db2.gz LEJHDEMVJKRJRU-UHFFFAOYSA-N 0 0 341.367 2.935 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H](O)c1ccsc1 ZINC001294711322 1322546664 /nfs/dbraw/zinc/54/66/64/1322546664.db2.gz CSZMJTAHQLCCJH-ZDUSSCGKSA-N 0 0 340.788 2.702 10 5 EFBERN O=C(N[C@@H]1C=CCCC1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC001294731586 1322549739 /nfs/dbraw/zinc/54/97/39/1322549739.db2.gz TVMAGNTWFZLPFF-SNVBAGLBSA-N 0 0 345.384 2.703 10 5 EFBERN COc1cc(C(=O)N[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1F ZINC001294918616 1322597862 /nfs/dbraw/zinc/59/78/62/1322597862.db2.gz ODDFPRRLRXKRDM-SNVBAGLBSA-N 0 0 348.330 2.809 10 5 EFBERN CC[C@@H](NC(=O)c1cncc2[nH]cnc21)c1cccc([N+](=O)[O-])c1 ZINC001295136995 1322640207 /nfs/dbraw/zinc/64/02/07/1322640207.db2.gz VJLITZPJCORJBY-CYBMUJFWSA-N 0 0 325.328 2.747 10 5 EFBERN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC001295252885 1322664128 /nfs/dbraw/zinc/66/41/28/1322664128.db2.gz CSIUUNOYWIZQTE-PSLIRLAXSA-N 0 0 336.294 2.784 10 5 EFBERN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)CCC2 ZINC001295451457 1322703695 /nfs/dbraw/zinc/70/36/95/1322703695.db2.gz CDZYJYMARODHCX-ZDUSSCGKSA-N 0 0 332.385 2.749 10 5 EFBERN COc1ccc(NC(=O)c2n[nH]c(C)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC001295474877 1322707518 /nfs/dbraw/zinc/70/75/18/1322707518.db2.gz JKCTXYDGHMIWDB-UHFFFAOYSA-N 0 0 344.249 2.906 10 5 EFBERN CC[C@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)ccn1 ZINC001295606442 1322733190 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EFBERN CC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC001295942145 1322813351 /nfs/dbraw/zinc/81/33/51/1322813351.db2.gz UNPTXZGUTPLCAQ-PWSUYJOCSA-N 0 0 327.768 2.518 10 5 EFBERN COCc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)o1 ZINC001296067694 1322848478 /nfs/dbraw/zinc/84/84/78/1322848478.db2.gz FZMONXNFZVQCLC-HNNXBMFYSA-N 0 0 345.355 2.894 10 5 EFBERN CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001296067836 1322848569 /nfs/dbraw/zinc/84/85/69/1322848569.db2.gz HJNBBNPERUJHIX-INIZCTEOSA-N 0 0 330.315 2.664 10 5 EFBERN COc1cc(NCc2cc(=O)[nH]c(C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC001307209984 1322868793 /nfs/dbraw/zinc/86/87/93/1322868793.db2.gz VPWIGRLGKASCIG-UHFFFAOYSA-N 0 0 346.343 2.597 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC001296899312 1323051620 /nfs/dbraw/zinc/05/16/20/1323051620.db2.gz GWXCTXBWLCGPDR-QGZVFWFLSA-N 0 0 329.331 2.888 10 5 EFBERN CN(CCN(C)C(=O)C1(CF)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001320050307 1329065365 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0 343.387 2.893 10 5 EFBERN C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001297694722 1323321067 /nfs/dbraw/zinc/32/10/67/1323321067.db2.gz XRBATWWUMFCPIB-TXEJJXNPSA-N 0 0 343.387 2.893 10 5 EFBERN CCn1cnnc1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001297771848 1323342275 /nfs/dbraw/zinc/34/22/75/1323342275.db2.gz OHTBAGXEJATLHM-UHFFFAOYSA-N 0 0 348.121 2.904 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1=C[S@@](=O)CCC1 ZINC001298190619 1323454273 /nfs/dbraw/zinc/45/42/73/1323454273.db2.gz AXMAUVPHDHDCKN-QHCPKHFHSA-N 0 0 337.401 2.780 10 5 EFBERN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001298249278 1323473224 /nfs/dbraw/zinc/47/32/24/1323473224.db2.gz RWCMDCIBDUYOSB-SSDOTTSWSA-N 0 0 348.750 2.681 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H](CO)c3ccccc32)c1F ZINC001298308197 1323487463 /nfs/dbraw/zinc/48/74/63/1323487463.db2.gz MSJVCQNHODDWJW-JTQLQIEISA-N 0 0 348.305 2.918 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ncon1 ZINC001298370644 1323507303 /nfs/dbraw/zinc/50/73/03/1323507303.db2.gz DOLSBGFKDVYTTQ-LLVKDONJSA-N 0 0 334.357 2.677 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ncon1 ZINC001298370647 1323507396 /nfs/dbraw/zinc/50/73/96/1323507396.db2.gz DOLSBGFKDVYTTQ-NSHDSACASA-N 0 0 334.357 2.677 10 5 EFBERN Cc1cc(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])ccc1Cl ZINC001298417369 1323520040 /nfs/dbraw/zinc/52/00/40/1323520040.db2.gz TYROLDGQEUUTJR-UHFFFAOYSA-N 0 0 334.763 2.506 10 5 EFBERN C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001298565037 1323565865 /nfs/dbraw/zinc/56/58/65/1323565865.db2.gz MXGFSSMKBIKXBW-ZMZPIMSZSA-N 0 0 343.383 2.611 10 5 EFBERN CN(C)Cc1ccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC001298588023 1323570776 /nfs/dbraw/zinc/57/07/76/1323570776.db2.gz DQPFHMBNFVTTPO-UHFFFAOYSA-N 0 0 331.372 2.915 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H](O)Cc1ccccc1 ZINC001298677326 1323586165 /nfs/dbraw/zinc/58/61/65/1323586165.db2.gz TXPKEASPGZEMJI-CQSZACIVSA-N 0 0 346.358 2.718 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](O)C12CCCC2 ZINC001298683885 1323587844 /nfs/dbraw/zinc/58/78/44/1323587844.db2.gz BYCHBHDSSCCKBH-CQSZACIVSA-N 0 0 338.791 2.697 10 5 EFBERN COc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc2c1O[C@@H](C)C2 ZINC001298876074 1323627430 /nfs/dbraw/zinc/62/74/30/1323627430.db2.gz SWZQLNULAHNFEZ-VIFPVBQESA-N 0 0 343.339 2.761 10 5 EFBERN CC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC001299027577 1323669293 /nfs/dbraw/zinc/66/92/93/1323669293.db2.gz VMGJLALVKUZUHM-LBPRGKRZSA-N 0 0 325.328 2.747 10 5 EFBERN Cc1csc(NCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC001299091204 1323688265 /nfs/dbraw/zinc/68/82/65/1323688265.db2.gz XEFVJZVCFDUAJS-UHFFFAOYSA-N 0 0 340.792 2.855 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)c1[N+](=O)[O-] ZINC001299803345 1323707229 /nfs/dbraw/zinc/70/72/29/1323707229.db2.gz YQNOAGUVLVUAKS-LLVKDONJSA-N 0 0 340.343 2.684 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnn1CC(F)(F)F ZINC001299858550 1323710091 /nfs/dbraw/zinc/71/00/91/1323710091.db2.gz HQMAWJKOJWXERJ-UHFFFAOYSA-N 0 0 343.265 2.648 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(CC(F)F)nc1C ZINC001299868030 1323711201 /nfs/dbraw/zinc/71/12/01/1323711201.db2.gz MGHUWXXMEHENRY-UHFFFAOYSA-N 0 0 339.302 2.659 10 5 EFBERN Cc1ccc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001492187276 1324371388 /nfs/dbraw/zinc/37/13/88/1324371388.db2.gz CCWZJWZBIYJUFO-UHFFFAOYSA-N 0 0 333.413 2.827 10 5 EFBERN CN(CCNC(=O)CCc1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC001492280287 1324399025 /nfs/dbraw/zinc/39/90/25/1324399025.db2.gz UMOQPHLCMZOOJZ-UHFFFAOYSA-N 0 0 347.440 2.837 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2ccccc2-c2ncco2)c1[N+](=O)[O-] ZINC001301158060 1324526589 /nfs/dbraw/zinc/52/65/89/1324526589.db2.gz YYHFMFDIUWWSDM-UHFFFAOYSA-N 0 0 327.300 2.788 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC001301230480 1324531128 /nfs/dbraw/zinc/53/11/28/1324531128.db2.gz RWYHLCBCQVWKDE-NUEKZKHPSA-N 0 0 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Cc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)nc1 ZINC001349218942 1332921692 /nfs/dbraw/zinc/92/16/92/1332921692.db2.gz SJYYMYOCOFBAJH-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN O=C(Nc1ccc2c(c1)CCC2)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001349277729 1332931664 /nfs/dbraw/zinc/93/16/64/1332931664.db2.gz CSSUOYVMMCGCBR-UHFFFAOYSA-N 0 0 349.350 2.917 10 5 EFBERN O=C(Nc1ccc(F)cc1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001349333520 1332939102 /nfs/dbraw/zinc/93/91/02/1332939102.db2.gz ULHJUSXYCHKESB-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN COc1ccc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)cn1 ZINC001349479370 1332958508 /nfs/dbraw/zinc/95/85/08/1332958508.db2.gz DDYVFASHLHVJHN-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN Cc1c(C(=O)N2CCCC[C@H]2CCn2ccnn2)cccc1[N+](=O)[O-] ZINC001349587450 1332973212 /nfs/dbraw/zinc/97/32/12/1332973212.db2.gz JETXELCOUBRGRT-AWEZNQCLSA-N 0 0 343.387 2.580 10 5 EFBERN NC(=O)c1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ccc1F ZINC001349739109 1332992583 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2.598 10 5 EFBERN CC(=O)Nc1cccc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001456752093 1394790514 /nfs/dbraw/zinc/79/05/14/1394790514.db2.gz UDBVHTHKADWKCC-UHFFFAOYSA-N 0 0 342.355 2.625 10 5 EFBERN Cc1ccc(NC(=O)C2(C(F)(F)F)CCOCC2)c(N)c1[N+](=O)[O-] ZINC001456753865 1394791458 /nfs/dbraw/zinc/79/14/58/1394791458.db2.gz XDJWEACDTXTQQI-UHFFFAOYSA-N 0 0 347.293 2.783 10 5 EFBERN COC(=O)c1cc(F)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001456752914 1394791796 /nfs/dbraw/zinc/79/17/96/1394791796.db2.gz VNCHFCNOMCKXHW-UHFFFAOYSA-N 0 0 347.302 2.663 10 5 EFBERN CC(C)Oc1cnccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001456955961 1394889920 /nfs/dbraw/zinc/88/99/20/1394889920.db2.gz XEBDSILWKCLIKB-UHFFFAOYSA-N 0 0 340.339 2.933 10 5 EFBERN CCNc1ccc(C(=O)N[C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC001457075723 1394957286 /nfs/dbraw/zinc/95/72/86/1394957286.db2.gz SZUGNSBUBTXATH-GFCCVEGCSA-N 0 0 328.372 2.783 10 5 EFBERN Cc1cc(NC(=O)CSc2nncn2C(C)C)cc([N+](=O)[O-])c1 ZINC001457196768 1395027581 /nfs/dbraw/zinc/02/75/81/1395027581.db2.gz BQKZWGCFHQOTJT-UHFFFAOYSA-N 0 0 335.389 2.806 10 5 EFBERN Cc1cccc(NC(=O)NCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001457200835 1395028396 /nfs/dbraw/zinc/02/83/96/1395028396.db2.gz QMNXSWQQBMWEHJ-UHFFFAOYSA-N 0 0 342.355 2.972 10 5 EFBERN COc1ccc(C=O)c(OCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001457202113 1395028667 /nfs/dbraw/zinc/02/86/67/1395028667.db2.gz UZVWHJAXCPWCPY-UHFFFAOYSA-N 0 0 344.323 2.742 10 5 EFBERN CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])cn2C)no1 ZINC001457223564 1395034500 /nfs/dbraw/zinc/03/45/00/1395034500.db2.gz AFXBOHNXWQFVOW-GFCCVEGCSA-N 0 0 347.375 2.807 10 5 EFBERN COC(=O)/C=C/[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001457281300 1395053974 /nfs/dbraw/zinc/05/39/74/1395053974.db2.gz VFZSUEWZWMQWOB-SDLBARTOSA-N 0 0 347.154 2.749 10 5 EFBERN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001457408655 1395100530 /nfs/dbraw/zinc/10/05/30/1395100530.db2.gz WCMGQTWFGPIAPM-CHWSQXEVSA-N 0 0 330.388 2.546 10 5 EFBERN CCOc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)on1 ZINC001457548041 1395206400 /nfs/dbraw/zinc/20/64/00/1395206400.db2.gz NQQQOCKURGTZID-UHFFFAOYSA-N 0 0 328.284 2.782 10 5 EFBERN COc1cnc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(F)c1 ZINC001457550831 1395209221 /nfs/dbraw/zinc/20/92/21/1395209221.db2.gz ULXUJQZSSFZJPO-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001457813497 1395343981 /nfs/dbraw/zinc/34/39/81/1395343981.db2.gz ZHVIXSKRJVYKBY-ZETCQYMHSA-N 0 0 328.250 2.828 10 5 EFBERN CC[C@@H](NC(=O)COCc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC001458040566 1395398891 /nfs/dbraw/zinc/39/88/91/1395398891.db2.gz FJTFZSQNCBWVQW-OAHLLOKOSA-N 0 0 333.344 2.675 10 5 EFBERN CCc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(CC)n1 ZINC001458056749 1395401271 /nfs/dbraw/zinc/40/12/71/1395401271.db2.gz DBHVMTCAXRZBBE-UHFFFAOYSA-N 0 0 341.415 2.836 10 5 EFBERN CCOCc1nc(C)cc(NCCNc2ccccc2[N+](=O)[O-])n1 ZINC001458074489 1395403245 /nfs/dbraw/zinc/40/32/45/1395403245.db2.gz QXQVGPNICWZDND-UHFFFAOYSA-N 0 0 331.376 2.754 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H](CO)Cc1ccco1 ZINC001458084735 1395405157 /nfs/dbraw/zinc/40/51/57/1395405157.db2.gz TZOPEDRKIVOKBP-LLVKDONJSA-N 0 0 345.330 2.560 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccco2)cc1C ZINC001458093736 1395406605 /nfs/dbraw/zinc/40/66/05/1395406605.db2.gz AUYNPFHOXYTVMO-AWEZNQCLSA-N 0 0 334.328 2.818 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCc3c(cnn3-c3ccccc3)C2)c(F)c1 ZINC001458112391 1395408803 /nfs/dbraw/zinc/40/88/03/1395408803.db2.gz XVQKGXRIFFWCQK-UHFFFAOYSA-N 0 0 339.330 2.877 10 5 EFBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1csc(-c2ncc[nH]2)n1 ZINC001458119273 1395410315 /nfs/dbraw/zinc/41/03/15/1395410315.db2.gz QTTCYPCGCIIULR-UHFFFAOYSA-N 0 0 334.288 2.800 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2nc(C3CC3)no2)cc1C ZINC001458134217 1395412597 /nfs/dbraw/zinc/41/25/97/1395412597.db2.gz UWJGGHYHHBWEOY-UHFFFAOYSA-N 0 0 346.343 2.952 10 5 EFBERN COc1cc(C)cc(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001458181974 1395421748 /nfs/dbraw/zinc/42/17/48/1395421748.db2.gz OQDXBIXDOBYTOU-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N(C)Cc3cnccn3)c2c1 ZINC001458203237 1395424411 /nfs/dbraw/zinc/42/44/11/1395424411.db2.gz PMMHVDUPVDJGLD-UHFFFAOYSA-N 0 0 325.328 2.578 10 5 EFBERN COc1ccc(NC(=O)Cc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC001458223919 1395427248 /nfs/dbraw/zinc/42/72/48/1395427248.db2.gz IVQODZUJMODGBR-UHFFFAOYSA-N 0 0 340.339 2.671 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1nccc2occc21 ZINC001458231973 1395427821 /nfs/dbraw/zinc/42/78/21/1395427821.db2.gz PYDYQGDUOAUZMT-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN Cc1cnc(N[C@H](CC(N)=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001458235756 1395427888 /nfs/dbraw/zinc/42/78/88/1395427888.db2.gz ZLTAWNJXHYBCTB-GFCCVEGCSA-N 0 0 334.763 2.980 10 5 EFBERN Cc1ccccc1-c1nsc(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC001458243704 1395430349 /nfs/dbraw/zinc/43/03/49/1395430349.db2.gz RKVYIFMMTPUGBB-UHFFFAOYSA-N 0 0 330.373 2.730 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCOc1ccc(Cl)cn1 ZINC001458268687 1395434845 /nfs/dbraw/zinc/43/48/45/1395434845.db2.gz WWYARDHKTWELFG-UHFFFAOYSA-N 0 0 329.143 2.604 10 5 EFBERN Cc1cc(NC(=O)c2cc(C(F)(F)F)nn2C)ccc1[N+](=O)[O-] ZINC001458297384 1395440693 /nfs/dbraw/zinc/44/06/93/1395440693.db2.gz RUONWVSCXBIIFI-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN COC(=O)c1ccnc(Oc2ccc3nccnc3c2)c1[N+](=O)[O-] ZINC001458301859 1395442154 /nfs/dbraw/zinc/44/21/54/1395442154.db2.gz GZSCLCTWPJPKHY-UHFFFAOYSA-N 0 0 326.268 2.512 10 5 EFBERN Cn1nccc1CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001458305947 1395442539 /nfs/dbraw/zinc/44/25/39/1395442539.db2.gz YCFAKEBAJIAXOH-UHFFFAOYSA-N 0 0 332.751 2.580 10 5 EFBERN CCS(=O)(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001458357344 1395452422 /nfs/dbraw/zinc/45/24/22/1395452422.db2.gz HPGYWPDVFWBQPN-UHFFFAOYSA-N 0 0 339.348 2.535 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CC(c3cccc(C(F)(F)F)c3)C2)n1 ZINC001458371708 1395454869 /nfs/dbraw/zinc/45/48/69/1395454869.db2.gz SQQPXZLPFDFQBA-UHFFFAOYSA-N 0 0 326.278 2.951 10 5 EFBERN NC(=O)c1cc(N2CC[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC001458391377 1395459179 /nfs/dbraw/zinc/45/91/79/1395459179.db2.gz FNVFADUYGKIFIP-NSHDSACASA-N 0 0 329.331 2.827 10 5 EFBERN O=c1[nH]c(CNc2c3ccccc3ncc2[N+](=O)[O-])nc2ccccc21 ZINC001458416297 1395463046 /nfs/dbraw/zinc/46/30/46/1395463046.db2.gz SLHJARLXYSRTCW-UHFFFAOYSA-N 0 0 347.334 2.826 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2NC[C@H](CO)Cc1cccnc1 ZINC001458421270 1395464513 /nfs/dbraw/zinc/46/45/13/1395464513.db2.gz XGOOCHKFVIBCGJ-CQSZACIVSA-N 0 0 338.367 2.801 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H](CO)Cc1cccnc1 ZINC001458421268 1395464863 /nfs/dbraw/zinc/46/48/63/1395464863.db2.gz XGOOCHKFVIBCGJ-AWEZNQCLSA-N 0 0 338.367 2.801 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H](CO)c1ccc(F)cc1 ZINC001458433273 1395466675 /nfs/dbraw/zinc/46/66/75/1395466675.db2.gz TUBQSGGFLQFVDY-CYBMUJFWSA-N 0 0 341.342 2.892 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H](C2)C3(F)F)c2ccccc21 ZINC001458433057 1395466776 /nfs/dbraw/zinc/46/67/76/1395466776.db2.gz SPHIIKPMHQBAPS-WDEREUQCSA-N 0 0 335.310 2.538 10 5 EFBERN CC(C)Oc1nc(NCc2cn(C3CCC3)nn2)ccc1[N+](=O)[O-] ZINC001458453394 1395472094 /nfs/dbraw/zinc/47/20/94/1395472094.db2.gz DEPHVKFTHRDADU-UHFFFAOYSA-N 0 0 332.364 2.706 10 5 EFBERN CC[C@H](OC(=O)CS(=O)(=O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC001458460561 1395473200 /nfs/dbraw/zinc/47/32/00/1395473200.db2.gz IZIDJFQXSLZQII-AWEZNQCLSA-N 0 0 343.401 2.660 10 5 EFBERN CC(C)(C)OC(=O)NCCCCCCNc1ccncc1[N+](=O)[O-] ZINC001458456949 1395473532 /nfs/dbraw/zinc/47/35/32/1395473532.db2.gz UXWUOSIVVKIQQY-UHFFFAOYSA-N 0 0 338.408 2.909 10 5 EFBERN O=C(Cc1cscn1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001458502997 1395483770 /nfs/dbraw/zinc/48/37/70/1395483770.db2.gz OJHBAIOQLTYHJL-UHFFFAOYSA-N 0 0 342.174 2.995 10 5 EFBERN C[C@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1ccc[nH]1 ZINC001458506605 1395484721 /nfs/dbraw/zinc/48/47/21/1395484721.db2.gz FGUGQEMOIAQFRE-LBPRGKRZSA-N 0 0 339.355 2.659 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc[nH]c1=O ZINC001458514038 1395485584 /nfs/dbraw/zinc/48/55/84/1395485584.db2.gz MPDBGZAAMOUDTJ-UHFFFAOYSA-N 0 0 337.719 2.748 10 5 EFBERN COC(=O)c1cnc(NCc2noc3ccc(F)cc23)c([N+](=O)[O-])c1 ZINC001458545131 1395494653 /nfs/dbraw/zinc/49/46/53/1395494653.db2.gz FWCOGKLFUYNLSZ-UHFFFAOYSA-N 0 0 346.274 2.669 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N3CCc4ncncc4C3)c2c1 ZINC001458545244 1395494715 /nfs/dbraw/zinc/49/47/15/1395494715.db2.gz HZMGIEZRUCMFQZ-UHFFFAOYSA-N 0 0 337.339 2.504 10 5 EFBERN Cc1ccnc(Nc2cccc([C@@]3(C)COC(=O)N3)c2)c1[N+](=O)[O-] ZINC001458556919 1395497671 /nfs/dbraw/zinc/49/76/71/1395497671.db2.gz QOWLHKIOTWMJFJ-MRXNPFEDSA-N 0 0 328.328 2.997 10 5 EFBERN COc1ccc(C2CC2)cc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001458567040 1395502059 /nfs/dbraw/zinc/50/20/59/1395502059.db2.gz YMADDGWWQWOQBY-UHFFFAOYSA-N 0 0 342.355 2.587 10 5 EFBERN CN(C[C@@H](O)c1cccnc1)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001458582500 1395509218 /nfs/dbraw/zinc/50/92/18/1395509218.db2.gz LFPAFXHPZNLSIR-MRXNPFEDSA-N 0 0 342.330 2.847 10 5 EFBERN Cc1conc1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458584150 1395510929 /nfs/dbraw/zinc/51/09/29/1395510929.db2.gz ARMOCDNYEMGUMQ-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN CC[C@H](C)[C@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C(N)=O ZINC001458587526 1395512448 /nfs/dbraw/zinc/51/24/48/1395512448.db2.gz JHVDXSBXAPRILS-CPCISQLKSA-N 0 0 337.767 2.503 10 5 EFBERN NC(=O)c1cc(NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC001458592561 1395514462 /nfs/dbraw/zinc/51/44/62/1395514462.db2.gz JFEUGELPSUKEQP-CABZTGNLSA-N 0 0 347.293 2.606 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CCCNc3ncncc3Cl)nc2c1 ZINC001458597701 1395516493 /nfs/dbraw/zinc/51/64/93/1395516493.db2.gz CVYWGJMNCLAIPI-UHFFFAOYSA-N 0 0 332.751 2.959 10 5 EFBERN O=[N+]([O-])c1ccsc1NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 ZINC001458601157 1395517706 /nfs/dbraw/zinc/51/77/06/1395517706.db2.gz ZQECNPSOHAJILI-SSDOTTSWSA-N 0 0 347.322 2.985 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC001458608455 1395521211 /nfs/dbraw/zinc/52/12/11/1395521211.db2.gz PFVLSKFFZUJUSJ-LBPRGKRZSA-N 0 0 349.387 2.846 10 5 EFBERN CC(=O)c1ccc(N2CCC([C@@]3(C)COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001458613542 1395522172 /nfs/dbraw/zinc/52/21/72/1395522172.db2.gz CWOBYDPAGNDGIV-QGZVFWFLSA-N 0 0 347.371 2.512 10 5 EFBERN C[C@@H]1C[C@@]2(CC[C@@H](CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])O2)CO1 ZINC001458617837 1395523118 /nfs/dbraw/zinc/52/31/18/1395523118.db2.gz DZNNPGQUJOXGPL-ZETOZRRWSA-N 0 0 337.332 2.642 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001458630714 1395527817 /nfs/dbraw/zinc/52/78/17/1395527817.db2.gz KJAIQTGJJHKGDK-SNVBAGLBSA-N 0 0 345.808 2.555 10 5 EFBERN C[C@@H](c1ccccc1)[C@@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001458633683 1395530160 /nfs/dbraw/zinc/53/01/60/1395530160.db2.gz QNXJHZWOKYLNDV-WFASDCNBSA-N 0 0 340.383 2.861 10 5 EFBERN C[C@H](c1ccccc1)[C@@H]1CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001458633678 1395530303 /nfs/dbraw/zinc/53/03/03/1395530303.db2.gz QNXJHZWOKYLNDV-DOMZBBRYSA-N 0 0 340.383 2.861 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N[C@H](c2ncccn2)C2CC2)s1 ZINC001458637245 1395531828 /nfs/dbraw/zinc/53/18/28/1395531828.db2.gz XNBQYNSBZWWAAI-NSHDSACASA-N 0 0 328.357 2.953 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NCCc1c(F)cc(O)cc1F ZINC001458637980 1395532644 /nfs/dbraw/zinc/53/26/44/1395532644.db2.gz BVURAKPFXKPVLB-UHFFFAOYSA-N 0 0 326.303 2.758 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc(C(C)(C)C)co2)n1 ZINC001458681466 1395546805 /nfs/dbraw/zinc/54/68/05/1395546805.db2.gz LELOGOSSIXMXAI-UHFFFAOYSA-N 0 0 334.332 2.674 10 5 EFBERN CCOC(=O)c1ncc(COc2ccc([N+](=O)[O-])cc2C=O)s1 ZINC001458793336 1395590807 /nfs/dbraw/zinc/59/08/07/1395590807.db2.gz DGJBFBVWYYMMLC-UHFFFAOYSA-N 0 0 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CNc1ccc(C(F)(F)F)cc1C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001459295330 1395789940 /nfs/dbraw/zinc/78/99/40/1395789940.db2.gz COPTZJIVUQFWQM-UHFFFAOYSA-N 0 0 343.265 2.641 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1coc2c1ccc(F)c2F ZINC001459297301 1395791162 /nfs/dbraw/zinc/79/11/62/1395791162.db2.gz IDQOBAMULKKKPO-UHFFFAOYSA-N 0 0 336.254 2.534 10 5 EFBERN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)cn2n1 ZINC001459453184 1395876193 /nfs/dbraw/zinc/87/61/93/1395876193.db2.gz LSHGTPWECVYWEC-UHFFFAOYSA-N 0 0 329.291 2.646 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)[C@@H](C)c1ccccc1 ZINC001546109720 1395919790 /nfs/dbraw/zinc/91/97/90/1395919790.db2.gz JBDDNJNCXZQTIF-LRDDRELGSA-N 0 0 346.358 2.937 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncnn1C(C)(C)C ZINC001459555867 1395931034 /nfs/dbraw/zinc/93/10/34/1395931034.db2.gz FDKNAEBWCSVQEQ-UHFFFAOYSA-N 0 0 349.416 2.593 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ncccn1 ZINC001459689047 1395974833 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Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC001462144980 1396424235 /nfs/dbraw/zinc/42/42/35/1396424235.db2.gz IDMXDUNWWNOTPQ-ZBFHGGJFSA-N 0 0 327.340 2.558 10 5 EFBERN O=C(NCCC[C@@H]1C=CCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001462568568 1396442934 /nfs/dbraw/zinc/44/29/34/1396442934.db2.gz IFPZVGDBGUCZFU-CXAGYDPISA-N 0 0 343.383 2.950 10 5 EFBERN CN(C)c1cc(F)c(C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001462765780 1396452863 /nfs/dbraw/zinc/45/28/63/1396452863.db2.gz SEOBWFDNAKJQBY-NEPJUHHUSA-N 0 0 335.379 2.966 10 5 EFBERN C[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001462872132 1396456953 /nfs/dbraw/zinc/45/69/53/1396456953.db2.gz AIQATORSOUCBKQ-XMMPIXPASA-N 0 0 349.324 2.800 10 5 EFBERN C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001462872125 1396457129 /nfs/dbraw/zinc/45/71/29/1396457129.db2.gz AIQATORSOUCBKQ-DEOSSOPVSA-N 0 0 349.324 2.800 10 5 EFBERN CC(C)(C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(F)cc1 ZINC001463027956 1396467424 /nfs/dbraw/zinc/46/74/24/1396467424.db2.gz QRRCVHHUBAGTOK-UHFFFAOYSA-N 0 0 345.330 2.749 10 5 EFBERN CCCCS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001463027182 1396467503 /nfs/dbraw/zinc/46/75/03/1396467503.db2.gz OBWDYCUJKMGTNC-VIFPVBQESA-N 0 0 325.390 2.554 10 5 EFBERN COc1cc(C)cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1C ZINC001463027997 1396467639 /nfs/dbraw/zinc/46/76/39/1396467639.db2.gz RISLTOSAJRCDHB-UHFFFAOYSA-N 0 0 343.339 2.571 10 5 EFBERN NC(=O)c1cc(NC(=O)c2sccc2C(F)F)ccc1[N+](=O)[O-] ZINC001463029112 1396468023 /nfs/dbraw/zinc/46/80/23/1396468023.db2.gz XORIOPORFZRGBF-UHFFFAOYSA-N 0 0 341.295 2.945 10 5 EFBERN O=C(Nc1ccnc(-n2cccn2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001463376195 1396487179 /nfs/dbraw/zinc/48/71/79/1396487179.db2.gz CXOKTEACOKQXBD-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N=[S@@](C)(=O)c2ccccc2F)n1 ZINC001463372276 1396487442 /nfs/dbraw/zinc/48/74/42/1396487442.db2.gz WDJHDSNBRBVBAH-QHCPKHFHSA-N 0 0 337.332 2.734 10 5 EFBERN CN(CC(=O)Nc1noc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC001463390352 1396488920 /nfs/dbraw/zinc/48/89/20/1396488920.db2.gz DVKFRNKHALDAJO-UHFFFAOYSA-N 0 0 330.344 2.537 10 5 EFBERN CC(C)(C)[C@@H]1CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001463431165 1396492299 /nfs/dbraw/zinc/49/22/99/1396492299.db2.gz AXDKSGDBJZPNMI-CABCVRRESA-N 0 0 331.372 2.735 10 5 EFBERN C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001463632908 1396509330 /nfs/dbraw/zinc/50/93/30/1396509330.db2.gz KATOHOGTMZYWGC-LBPRGKRZSA-N 0 0 342.355 2.594 10 5 EFBERN CNC(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001463925109 1396532012 /nfs/dbraw/zinc/53/20/12/1396532012.db2.gz QXVWFGJMVCBHLY-UHFFFAOYSA-N 0 0 346.318 2.666 10 5 EFBERN C[C@@H]1CC(=O)NN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001463976265 1396534663 /nfs/dbraw/zinc/53/46/63/1396534663.db2.gz UBRZBNPQYYFEKI-LLVKDONJSA-N 0 0 340.339 2.604 10 5 EFBERN CC(=O)c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1C ZINC001464101376 1396547214 /nfs/dbraw/zinc/54/72/14/1396547214.db2.gz UTZKFKKYWBLKTA-UHFFFAOYSA-N 0 0 341.367 2.948 10 5 EFBERN CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])[NH+]1CCC(C)CC1 ZINC001464133629 1396549373 /nfs/dbraw/zinc/54/93/73/1396549373.db2.gz CGCCRNBCPFORTL-INIZCTEOSA-N 0 0 349.431 2.787 10 5 EFBERN O=C(NCCc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC001464162921 1396552595 /nfs/dbraw/zinc/55/25/95/1396552595.db2.gz XKWYDCMYEBGXJI-UHFFFAOYSA-N 0 0 342.399 2.886 10 5 EFBERN COc1c(F)cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001464355807 1396567848 /nfs/dbraw/zinc/56/78/48/1396567848.db2.gz IBNUMXOVGHCPNV-CYBMUJFWSA-N 0 0 338.266 2.554 10 5 EFBERN COc1ccc(CNC(=O)c2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001464356704 1396567990 /nfs/dbraw/zinc/56/79/90/1396567990.db2.gz IGBCAECKMANPST-UHFFFAOYSA-N 0 0 344.352 2.538 10 5 EFBERN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC001464376289 1396569785 /nfs/dbraw/zinc/56/97/85/1396569785.db2.gz PGBJTSVOQBEVSJ-UHFFFAOYSA-N 0 0 337.723 2.572 10 5 EFBERN C[C@H](CNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001464448874 1396576873 /nfs/dbraw/zinc/57/68/73/1396576873.db2.gz GISIPKCPXLAMCK-SSDOTTSWSA-N 0 0 342.193 2.715 10 5 EFBERN CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC001464706109 1396597351 /nfs/dbraw/zinc/59/73/51/1396597351.db2.gz HOSCXHWUHSRVDM-UHFFFAOYSA-N 0 0 338.429 2.941 10 5 EFBERN O=C(Nc1cc(F)ccc1N1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001464715101 1396598324 /nfs/dbraw/zinc/59/83/24/1396598324.db2.gz YCQKEAHGRSOWDW-UHFFFAOYSA-N 0 0 333.323 2.700 10 5 EFBERN Nc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1[N+](=O)[O-] ZINC001464825936 1396613732 /nfs/dbraw/zinc/61/37/32/1396613732.db2.gz AWRYCDZFMJCGMY-UHFFFAOYSA-N 0 0 344.224 2.982 10 5 EFBERN O=C(N[C@H]1CCc2ccc(F)cc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001465003440 1396639720 /nfs/dbraw/zinc/63/97/20/1396639720.db2.gz WPWHQMHRDBOEGE-HOTGVXAUSA-N 0 0 330.315 2.571 10 5 EFBERN COC(=O)c1cc(NC(=O)c2onc3ccccc32)cc([N+](=O)[O-])c1 ZINC001465394988 1396676547 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CC(C)(NC(=O)c1ccc2nonc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001465719987 1396705068 /nfs/dbraw/zinc/70/50/68/1396705068.db2.gz UHAABEJXLMCQER-UHFFFAOYSA-N 0 0 326.312 2.796 10 5 EFBERN O=C(NC[C@@H](O)c1ccccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465776213 1396710599 /nfs/dbraw/zinc/71/05/99/1396710599.db2.gz YUYCLVWIIMVRDS-CYBMUJFWSA-N 0 0 338.722 2.851 10 5 EFBERN Nc1c(C(=O)NOCC(F)(F)F)cc2ccccc2c1[N+](=O)[O-] ZINC001465796886 1396711777 /nfs/dbraw/zinc/71/17/77/1396711777.db2.gz NISSGKXVZLMNOP-UHFFFAOYSA-N 0 0 329.234 2.554 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCCc2c[nH]nc21 ZINC001465823429 1396714296 /nfs/dbraw/zinc/71/42/96/1396714296.db2.gz YLZIIEDLUGWWGA-ZDUSSCGKSA-N 0 0 332.335 2.583 10 5 EFBERN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc2c(cccc2C2CC2)[nH]1 ZINC001465880406 1396719708 /nfs/dbraw/zinc/71/97/08/1396719708.db2.gz GNJOGAKMVRLCIN-UHFFFAOYSA-N 0 0 339.355 2.580 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC001465887622 1396719760 /nfs/dbraw/zinc/71/97/60/1396719760.db2.gz DTIYSYIKLQBEIH-ZBFHGGJFSA-N 0 0 344.392 2.705 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC001465923678 1396723943 /nfs/dbraw/zinc/72/39/43/1396723943.db2.gz HNGGLIFNRDSODC-BJOHPYRUSA-N 0 0 336.294 2.725 10 5 EFBERN COc1ccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1CO ZINC001465987356 1396729285 /nfs/dbraw/zinc/72/92/85/1396729285.db2.gz IITGOMLULLKGRE-UHFFFAOYSA-N 0 0 330.340 2.965 10 5 EFBERN CSc1cc(C)ccc1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001466021951 1396732171 /nfs/dbraw/zinc/73/21/71/1396732171.db2.gz HNZVEJVDPXIECJ-MRXNPFEDSA-N 0 0 346.408 2.975 10 5 EFBERN O=C(Cc1ccc(O)c(F)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001466056709 1396734654 /nfs/dbraw/zinc/73/46/54/1396734654.db2.gz SXTIUCVYFVQIJD-UHFFFAOYSA-N 0 0 338.722 2.952 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc(O)c(C)c1 ZINC001466229186 1396744716 /nfs/dbraw/zinc/74/47/16/1396744716.db2.gz PXJSGTHDIISRDA-UHFFFAOYSA-N 0 0 347.302 2.959 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2ccc(O)cc2F)cc1[N+](=O)[O-] ZINC001466334797 1396749304 /nfs/dbraw/zinc/74/93/04/1396749304.db2.gz WHGMZULWZAQWPY-UHFFFAOYSA-N 0 0 325.683 2.927 10 5 EFBERN COc1ccc(NC(=O)c2nc[nH]c2C(F)(F)F)cc1[N+](=O)[O-] ZINC001466328896 1396749425 /nfs/dbraw/zinc/74/94/25/1396749425.db2.gz FUGJQNGBTNLCSH-UHFFFAOYSA-N 0 0 330.222 2.598 10 5 EFBERN Cc1ccc(C2=CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CC2)cn1 ZINC001466436741 1396753067 /nfs/dbraw/zinc/75/30/67/1396753067.db2.gz CLFSZHPEYZMPJP-UHFFFAOYSA-N 0 0 347.762 2.604 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC001466623349 1396766446 /nfs/dbraw/zinc/76/64/46/1396766446.db2.gz GZQIQEQBLBCSHX-CQSZACIVSA-N 0 0 326.368 2.815 10 5 EFBERN Nc1ncc(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1[N+](=O)[O-] ZINC001466851368 1396791079 /nfs/dbraw/zinc/79/10/79/1396791079.db2.gz YJBOPCIPBQOXJI-UHFFFAOYSA-N 0 0 348.309 2.655 10 5 EFBERN CN(CC1(c2ccccc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001466893063 1396795345 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CSc1cccnc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001467561333 1396871382 /nfs/dbraw/zinc/87/13/82/1396871382.db2.gz VVQFKPYSHRPVSE-UHFFFAOYSA-N 0 0 343.368 2.518 10 5 EFBERN COc1ccc(CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)nc1 ZINC001467619608 1396877214 /nfs/dbraw/zinc/87/72/14/1396877214.db2.gz LNPBBRXTHPYIIP-UHFFFAOYSA-N 0 0 337.282 2.515 10 5 EFBERN CC(C)[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ncon1 ZINC001467635015 1396878711 /nfs/dbraw/zinc/87/87/11/1396878711.db2.gz MZPHLGANWONZCN-NSHDSACASA-N 0 0 342.714 2.897 10 5 EFBERN Cc1nnc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1C1CC1 ZINC001467917173 1396909724 /nfs/dbraw/zinc/90/97/24/1396909724.db2.gz TUFIMVWOOULWAN-UHFFFAOYSA-N 0 0 339.714 2.874 10 5 EFBERN COc1cnc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)s1 ZINC001467975335 1396915519 /nfs/dbraw/zinc/91/55/19/1396915519.db2.gz CUBOOKXNTVOCOY-UHFFFAOYSA-N 0 0 346.727 2.687 10 5 EFBERN O=C(Nc1ccc2c(n1)CCC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001468136935 1396927898 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EFBERN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC001468691702 1396980341 /nfs/dbraw/zinc/98/03/41/1396980341.db2.gz ASDDOYPDOLJXEC-ZDUSSCGKSA-N 0 0 327.340 2.909 10 5 EFBERN CCON(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001468794759 1396984707 /nfs/dbraw/zinc/98/47/07/1396984707.db2.gz DLGZZGIAZSZRBK-UHFFFAOYSA-N 0 0 333.319 2.910 10 5 EFBERN O=C(Nc1ncccc1OCc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC001468871952 1396988231 /nfs/dbraw/zinc/98/82/31/1396988231.db2.gz CVNHDJXCLOTZBP-UHFFFAOYSA-N 0 0 339.311 2.544 10 5 EFBERN C[C@@H](C(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC001468950923 1396993065 /nfs/dbraw/zinc/99/30/65/1396993065.db2.gz WDRWREHEKNDPFX-RIEGTJTDSA-N 0 0 336.363 2.721 10 5 EFBERN CC(C)[C@H](O)C1(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001546173577 1397015448 /nfs/dbraw/zinc/01/54/48/1397015448.db2.gz IWTMRGMLZLNZLB-HNNXBMFYSA-N 0 0 340.807 2.704 10 5 EFBERN O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001469264660 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347.281 2.715 10 5 EFBERN CC[C@H](NC(=O)N1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC001469665887 1397047671 /nfs/dbraw/zinc/04/76/71/1397047671.db2.gz XGVBLFYVPUMOQO-ZDUSSCGKSA-N 0 0 329.360 2.931 10 5 EFBERN CCOC(=O)c1cc(C(=O)N(C)C[Si](C)(C)C)cc([N+](=O)[O-])c1 ZINC001469690514 1397049294 /nfs/dbraw/zinc/04/92/94/1397049294.db2.gz WZYKOPHCVRBUIU-UHFFFAOYSA-N 0 0 338.436 2.721 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@](C)(O)c1ccccc1 ZINC001469750728 1397053229 /nfs/dbraw/zinc/05/32/29/1397053229.db2.gz BMGCIMZSFYCIGZ-DIFFPNOSSA-N 0 0 332.331 2.760 10 5 EFBERN O=C(NOc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001469937702 1397060669 /nfs/dbraw/zinc/06/06/69/1397060669.db2.gz OOCHYMMNTVDCEA-UHFFFAOYSA-N 0 0 342.286 2.643 10 5 EFBERN Cc1ccc(C)c(C(=O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001470808800 1397123663 /nfs/dbraw/zinc/12/36/63/1397123663.db2.gz VEFVEGCKNWCDIM-UHFFFAOYSA-N 0 0 330.315 2.963 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001471238855 1397152930 /nfs/dbraw/zinc/15/29/30/1397152930.db2.gz CWGCDIHLOJQSBG-VXGBXAGGSA-N 0 0 339.392 2.743 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1C[C@H]1C1CC1 ZINC001471344288 1397163545 /nfs/dbraw/zinc/16/35/45/1397163545.db2.gz PTYJNUCUPDSSMK-CJNGLKHVSA-N 0 0 332.404 2.742 10 5 EFBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cc2cnccc2o1 ZINC001471436275 1397171765 /nfs/dbraw/zinc/17/17/65/1397171765.db2.gz GYOHQPXOMRWJGS-LURJTMIESA-N 0 0 335.707 2.604 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC(=O)CC1CCCCC1 ZINC001471455418 1397172863 /nfs/dbraw/zinc/17/28/63/1397172863.db2.gz YHTDDWYXYQHSEI-UHFFFAOYSA-N 0 0 337.351 2.585 10 5 EFBERN CC(C)(CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001471459694 1397173462 /nfs/dbraw/zinc/17/34/62/1397173462.db2.gz ACYRAVYMNKPLDR-UHFFFAOYSA-N 0 0 333.388 2.804 10 5 EFBERN C[C@H](CNC(=O)N(C)Cc1cccc(=O)[nH]1)c1ccccc1[N+](=O)[O-] ZINC001471466091 1397174170 /nfs/dbraw/zinc/17/41/70/1397174170.db2.gz RSPGQQPDRJODIV-GFCCVEGCSA-N 0 0 344.371 2.641 10 5 EFBERN C[C@H](CNC(=O)N[C@H](C1CC1)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC001471464875 1397174621 /nfs/dbraw/zinc/17/46/21/1397174621.db2.gz MADHDLRVVCGEBL-MLGOLLRUSA-N 0 0 349.431 2.795 10 5 EFBERN Cc1c[nH]c(C2(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC001471476631 1397175927 /nfs/dbraw/zinc/17/59/27/1397175927.db2.gz AVKPICHPZRQVGT-HUUCEWRRSA-N 0 0 340.383 2.925 10 5 EFBERN O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001471503390 1397178928 /nfs/dbraw/zinc/17/89/28/1397178928.db2.gz LJPJLDZDNZNEII-KOLCDFICSA-N 0 0 338.726 2.727 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC001471701441 1397199212 /nfs/dbraw/zinc/19/92/12/1397199212.db2.gz USIQZOQQTBCNCU-UHFFFAOYSA-N 0 0 348.305 2.525 10 5 EFBERN Cc1csc([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)n1 ZINC001471720035 1397201213 /nfs/dbraw/zinc/20/12/13/1397201213.db2.gz RRHWUQIGSSTINQ-JTQLQIEISA-N 0 0 332.385 2.572 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](O)c1ccccc1 ZINC001471741257 1397203148 /nfs/dbraw/zinc/20/31/48/1397203148.db2.gz KFTZEENWMCGFBF-GDBMZVCRSA-N 0 0 347.346 2.558 10 5 EFBERN O=C(Nc1cccc2nc[nH]c(=O)c21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001471782420 1397206011 /nfs/dbraw/zinc/20/60/11/1397206011.db2.gz XUKPPISRBWOANR-UHFFFAOYSA-N 0 0 349.306 2.977 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC12CCC2 ZINC001471818861 1397210954 /nfs/dbraw/zinc/21/09/54/1397210954.db2.gz KVNIARAAAJZJRF-LBPRGKRZSA-N 0 0 328.372 2.710 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001471962161 1397226714 /nfs/dbraw/zinc/22/67/14/1397226714.db2.gz GFLHCCOQSZMRNH-UHFFFAOYSA-N 0 0 346.774 2.606 10 5 EFBERN O=C(NC1CSC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001472008972 1397233571 /nfs/dbraw/zinc/23/35/71/1397233571.db2.gz LFESUVKDVVYWOI-UHFFFAOYSA-N 0 0 346.358 2.805 10 5 EFBERN C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ncon1 ZINC001472027217 1397236266 /nfs/dbraw/zinc/23/62/66/1397236266.db2.gz BTYKKSXBTFGPCI-ZETCQYMHSA-N 0 0 344.249 2.530 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@]2(C)CCOc3ccccc32)c1[N+](=O)[O-] ZINC001472034440 1397236968 /nfs/dbraw/zinc/23/69/68/1397236968.db2.gz DFBKEHONSNTDIV-QGZVFWFLSA-N 0 0 344.371 2.869 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](c2ncccn2)C1 ZINC001472054197 1397240181 /nfs/dbraw/zinc/24/01/81/1397240181.db2.gz SSADFULUTFSSQB-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)ccc1[N+](=O)[O-] ZINC001472109212 1397249758 /nfs/dbraw/zinc/24/97/58/1397249758.db2.gz JNPHBYNYCPLLQY-ZETCQYMHSA-N 0 0 343.265 2.531 10 5 EFBERN O=C(NCc1cc2ccccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1F ZINC001472425697 1397259748 /nfs/dbraw/zinc/25/97/48/1397259748.db2.gz WHXLXQLCCMTNHX-UHFFFAOYSA-N 0 0 341.298 2.918 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCc3ccccn3)c2c1 ZINC001472640046 1397264764 /nfs/dbraw/zinc/26/47/64/1397264764.db2.gz PDFMYLQJUVZPHX-UHFFFAOYSA-N 0 0 339.311 2.523 10 5 EFBERN O=[N+]([O-])c1cnc2cc(Br)ccc2c1SCCO ZINC001472641434 1397265086 /nfs/dbraw/zinc/26/50/86/1397265086.db2.gz MTERMQDUERVPJX-UHFFFAOYSA-N 0 0 329.175 2.990 10 5 EFBERN COC(=O)CCCCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001472649074 1397265903 /nfs/dbraw/zinc/26/59/03/1397265903.db2.gz RQNXRSINWQOFLJ-UHFFFAOYSA-N 0 0 349.387 2.632 10 5 EFBERN COc1ccccc1O[C@H](C)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001472711138 1397267295 /nfs/dbraw/zinc/26/72/95/1397267295.db2.gz UXDMGDGOFPQLST-LLVKDONJSA-N 0 0 345.355 2.582 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3nc4ccccn4c3[N+](=O)[O-])c2)CN1 ZINC001472734844 1397268818 /nfs/dbraw/zinc/26/88/18/1397268818.db2.gz CBSGIPKZCKRCHH-LBPRGKRZSA-N 0 0 337.339 2.590 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(OC(F)F)C2)cc1C ZINC001472769117 1397269508 /nfs/dbraw/zinc/26/95/08/1397269508.db2.gz BEKGPVBIUQAYCD-UHFFFAOYSA-N 0 0 330.287 2.508 10 5 EFBERN COC(=O)c1cc(C(=O)COc2cc(C)ccc2[N+](=O)[O-])c(C)[nH]1 ZINC001472953648 1397272427 /nfs/dbraw/zinc/27/24/27/1397272427.db2.gz VGCYWRBZAXDHAA-UHFFFAOYSA-N 0 0 332.312 2.588 10 5 EFBERN CC1(C)CCC[C@H](Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC001472984326 1397276520 /nfs/dbraw/zinc/27/65/20/1397276520.db2.gz KLRMVGGMKXKZQT-CYBMUJFWSA-N 0 0 333.344 2.759 10 5 EFBERN CC(C)[C@@H](O)COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC001473058434 1397279720 /nfs/dbraw/zinc/27/97/20/1397279720.db2.gz WHINPFVCORZPJK-JTQLQIEISA-N 0 0 349.137 2.661 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCSc1nc(C)c(C2CC2)c(=O)[nH]1 ZINC001473070385 1397280379 /nfs/dbraw/zinc/28/03/79/1397280379.db2.gz NVXUPGHNRSWUMH-UHFFFAOYSA-N 0 0 335.389 2.573 10 5 EFBERN C[C@@](CO)(NCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001473713651 1397324544 /nfs/dbraw/zinc/32/45/44/1397324544.db2.gz CVCWPXHPMLQGPL-INIZCTEOSA-N 0 0 331.328 2.500 10 5 EFBERN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001473743069 1397327630 /nfs/dbraw/zinc/32/76/30/1397327630.db2.gz CSEWGARWMVGMBE-JTQLQIEISA-N 0 0 340.339 2.686 10 5 EFBERN Cc1cccn2c(=O)cc(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)nc12 ZINC001473782785 1397330522 /nfs/dbraw/zinc/33/05/22/1397330522.db2.gz BQZYVJYOZWAQNK-CYBMUJFWSA-N 0 0 338.367 2.762 10 5 EFBERN COc1ccc(OCCN(Cc2ccc(C)o2)OC)c([N+](=O)[O-])c1 ZINC001473812987 1397334890 /nfs/dbraw/zinc/33/48/90/1397334890.db2.gz GUCQXBCGERSRTK-UHFFFAOYSA-N 0 0 336.344 2.947 10 5 EFBERN CC(C)(C)OC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H]2C[C@@H]21 ZINC001473856001 1397339576 /nfs/dbraw/zinc/33/95/76/1397339576.db2.gz WRSXSVHKTWASOQ-CABCVRRESA-N 0 0 333.388 2.788 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CSC[C@@]2(C)C1 ZINC001473861516 1397340778 /nfs/dbraw/zinc/34/07/78/1397340778.db2.gz AHACOENMKRSSMZ-BLLLJJGKSA-N 0 0 335.429 2.527 10 5 EFBERN C=C/C=C/CCNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001477493912 1397536241 /nfs/dbraw/zinc/53/62/41/1397536241.db2.gz CMIZIVDVOSISJU-AATRIKPKSA-N 0 0 349.387 2.586 10 5 EFBERN CC[C@@H](NC(=O)N[C@H]1C[C@@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC001478237142 1397568243 /nfs/dbraw/zinc/56/82/43/1397568243.db2.gz DFYZCONZXDHXCO-QLFBSQMISA-N 0 0 333.388 2.649 10 5 EFBERN CC[C@@H](NC(=O)N[C@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC001478237140 1397568661 /nfs/dbraw/zinc/56/86/61/1397568661.db2.gz DFYZCONZXDHXCO-ILXRZTDVSA-N 0 0 333.388 2.649 10 5 EFBERN CC[C@@H](NC(=O)N1C[C@@H](C)C(O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001478237539 1397569211 /nfs/dbraw/zinc/56/92/11/1397569211.db2.gz NZBBETRCNSMJLL-LALPHHSUSA-N 0 0 335.404 2.704 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC001478259748 1397569858 /nfs/dbraw/zinc/56/98/58/1397569858.db2.gz BSOOHIDURFYHLG-UHFFFAOYSA-N 0 0 348.790 2.818 10 5 EFBERN CC(C)c1ocnc1C(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001478265566 1397571717 /nfs/dbraw/zinc/57/17/17/1397571717.db2.gz REOGPTINBMLORB-UHFFFAOYSA-N 0 0 332.360 2.572 10 5 EFBERN CN(CCNC(=O)c1cc(Cl)cs1)c1ccc([N+](=O)[O-])cn1 ZINC001478265299 1397571934 /nfs/dbraw/zinc/57/19/34/1397571934.db2.gz WNYYJAGKIZEPPX-UHFFFAOYSA-N 0 0 340.792 2.571 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC001479122396 1397610136 /nfs/dbraw/zinc/61/01/36/1397610136.db2.gz QAIVUTBNMIDHCR-RDJZCZTQSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1ccc(CNC(=O)N2CCOC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001479123091 1397610821 /nfs/dbraw/zinc/61/08/21/1397610821.db2.gz YNMIEGMIWNZTFU-OAHLLOKOSA-N 0 0 335.404 2.860 10 5 EFBERN C[C@H](NC(=O)NCc1ccc2nonc2c1)c1ccccc1[N+](=O)[O-] ZINC001479212310 1397620022 /nfs/dbraw/zinc/62/00/22/1397620022.db2.gz KWXZPZKVMOEEGM-JTQLQIEISA-N 0 0 341.327 2.691 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001479216727 1397620126 /nfs/dbraw/zinc/62/01/26/1397620126.db2.gz YHTWLJMSWWCORI-LBPRGKRZSA-N 0 0 341.371 2.522 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(C2CC2)no1 ZINC001479290388 1397668567 /nfs/dbraw/zinc/66/85/67/1397668567.db2.gz XSFZYWANZQTMQV-UHFFFAOYSA-N 0 0 344.371 2.844 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001479296734 1397669728 /nfs/dbraw/zinc/66/97/28/1397669728.db2.gz KAPKXDOFOQPFPB-SSKCKEOISA-N 0 0 347.415 2.752 10 5 EFBERN C[C@@H](NC(=O)NC(C)(C)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC001479298158 1397670457 /nfs/dbraw/zinc/67/04/57/1397670457.db2.gz YMJGTJMPXDTSGL-LLVKDONJSA-N 0 0 331.376 2.624 10 5 EFBERN O=C(NC[C@@]12C[C@@H]1CCCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001479325216 1397686067 /nfs/dbraw/zinc/68/60/67/1397686067.db2.gz HVYWXDMYUQJKQF-SCLBCKFNSA-N 0 0 345.399 2.948 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1ncccn1)C1CC1 ZINC001479392080 1397713110 /nfs/dbraw/zinc/71/31/10/1397713110.db2.gz MICWWCUPPNNBCD-OAHLLOKOSA-N 0 0 341.371 2.678 10 5 EFBERN Cc1cc(CN(C)C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC001479448792 1397728294 /nfs/dbraw/zinc/72/82/94/1397728294.db2.gz YGVIFJPOBGBWKB-LLVKDONJSA-N 0 0 332.360 2.836 10 5 EFBERN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001479550663 1397755008 /nfs/dbraw/zinc/75/50/08/1397755008.db2.gz KLEKICWRWFLVJV-XFBWCDHKSA-N 0 0 331.372 2.556 10 5 EFBERN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001479551357 1397755111 /nfs/dbraw/zinc/75/51/11/1397755111.db2.gz PINFUJCPTABHTC-QLFBSQMISA-N 0 0 344.415 2.615 10 5 EFBERN CCN(CCNC(=O)C1(CF)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001493023973 1398369950 /nfs/dbraw/zinc/36/99/50/1398369950.db2.gz ZGCPALSAPWXEOV-UHFFFAOYSA-N 0 0 343.424 2.734 10 5 EFBERN Cc1cocc1C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001493402840 1398678458 /nfs/dbraw/zinc/67/84/58/1398678458.db2.gz VYLSMDDYUGAFEH-UHFFFAOYSA-N 0 0 343.383 2.891 10 5 EFBERN O=C(/C=C\c1ccco1)NC/C=C\CNCc1csc([N+](=O)[O-])c1 ZINC001497520077 1401433265 /nfs/dbraw/zinc/43/32/65/1401433265.db2.gz ZRIAFIUDHQGNOX-YMPRJYOMSA-N 0 0 347.396 2.725 10 5 EFBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](CC)OC ZINC001498675045 1402237108 /nfs/dbraw/zinc/23/71/08/1402237108.db2.gz MMZVRFVRRLUCOV-AWEZNQCLSA-N 0 0 347.419 2.810 10 5 EFBERN Cc1cccc(OC(F)F)c1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001546268049 1402518042 /nfs/dbraw/zinc/51/80/42/1402518042.db2.gz RKSMLUSUHFCQIN-UHFFFAOYSA-N 0 0 338.270 2.734 10 5 EFBERN CS[C@@H](C)Cn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001505159986 1404531487 /nfs/dbraw/zinc/53/14/87/1404531487.db2.gz IDWHDTQRDMMBEF-NSHDSACASA-N 0 0 347.444 2.809 10 5 EFBERN Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1C[C@H]1C ZINC001511864052 1413176863 /nfs/dbraw/zinc/17/68/63/1413176863.db2.gz RNZNFXSAVWJHHV-BXUZGUMPSA-N 0 0 327.388 2.713 10 5 EFBERN Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1C[C@@H]1C ZINC001511864059 1413177261 /nfs/dbraw/zinc/17/72/61/1413177261.db2.gz RNZNFXSAVWJHHV-SMDDNHRTSA-N 0 0 327.388 2.713 10 5 EFBERN COc1ccnc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001556060891 1415051055 /nfs/dbraw/zinc/05/10/55/1415051055.db2.gz VXKORXWZNFJSGO-UHFFFAOYSA-N 0 0 329.312 2.600 10 5 EFBERN O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001556084312 1415052756 /nfs/dbraw/zinc/05/27/56/1415052756.db2.gz KNIXRKIDOIXLMM-BXUZGUMPSA-N 0 0 330.344 2.757 10 5 EFBERN CC(C)OC(=O)CCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001556121543 1415053730 /nfs/dbraw/zinc/05/37/30/1415053730.db2.gz PSHHOWUNDHXSRU-UHFFFAOYSA-N 0 0 342.779 2.639 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC001556116774 1415053858 /nfs/dbraw/zinc/05/38/58/1415053858.db2.gz YJUZCXXLQRFHIO-CYBMUJFWSA-N 0 0 346.408 2.650 10 5 EFBERN CCO[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC001556209211 1415058860 /nfs/dbraw/zinc/05/88/60/1415058860.db2.gz KSFGKTNFPVBNEI-KRWDZBQOSA-N 0 0 348.399 2.780 10 5 EFBERN Cc1cccc(O)c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001556208988 1415058922 /nfs/dbraw/zinc/05/89/22/1415058922.db2.gz BDYVGFMKGVXHPJ-UHFFFAOYSA-N 0 0 328.324 2.512 10 5 EFBERN COc1c(CNC(=O)c2ccc([N+](=O)[O-])cc2N)oc2ccccc21 ZINC001556259643 1415060672 /nfs/dbraw/zinc/06/06/72/1415060672.db2.gz HMECIFYJGVVGSP-UHFFFAOYSA-N 0 0 341.323 2.862 10 5 EFBERN C/C=C/C[C@H](CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001556302248 1415063010 /nfs/dbraw/zinc/06/30/10/1415063010.db2.gz JARBMPHWFTZPST-BAABZTOOSA-N 0 0 341.367 2.714 10 5 EFBERN Cc1ccc([C@@H](O)CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001556382550 1415066569 /nfs/dbraw/zinc/06/65/69/1415066569.db2.gz MAFUQVPITFRPSU-INIZCTEOSA-N 0 0 348.786 2.949 10 5 EFBERN CC(C)(C)[C@H](CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001556398163 1415067217 /nfs/dbraw/zinc/06/72/17/1415067217.db2.gz SGSGMOMVRKBYAK-AWEZNQCLSA-N 0 0 343.383 2.794 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC001556405395 1415067670 /nfs/dbraw/zinc/06/76/70/1415067670.db2.gz RWEPXGUHPLRRKR-VIFPVBQESA-N 0 0 334.303 2.939 10 5 EFBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001556498955 1415073289 /nfs/dbraw/zinc/07/32/89/1415073289.db2.gz QEZJYIOXAOGKKE-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN CC(C)CCSc1ccc(C(=O)O[C@H]2CNOC2)cc1[N+](=O)[O-] ZINC001556537627 1415074687 /nfs/dbraw/zinc/07/46/87/1415074687.db2.gz XVGYNLZGCWDOAF-LBPRGKRZSA-N 0 0 340.401 2.793 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(F)(c3ccccn3)CC2)n1 ZINC001556525721 1415074790 /nfs/dbraw/zinc/07/47/90/1415074790.db2.gz BUMMROVWGWUFLY-UHFFFAOYSA-N 0 0 344.346 2.794 10 5 EFBERN O=C(Nc1cccc2c(=O)[nH]ccc12)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001556600322 1415078336 /nfs/dbraw/zinc/07/83/36/1415078336.db2.gz MUUXSIAEVCDATQ-HNNXBMFYSA-N 0 0 339.307 2.521 10 5 EFBERN CCOc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N)ccc2o1 ZINC001556697479 1415082671 /nfs/dbraw/zinc/08/26/71/1415082671.db2.gz CMAONGBOZKDRQO-UHFFFAOYSA-N 0 0 342.311 2.969 10 5 EFBERN CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001556847753 1415091614 /nfs/dbraw/zinc/09/16/14/1415091614.db2.gz OQSXTIBQOBQONC-IUCAKERBSA-N 0 0 330.772 2.801 10 5 EFBERN Cc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)nn1C1CCCCC1 ZINC001556884616 1415093368 /nfs/dbraw/zinc/09/33/68/1415093368.db2.gz GCARDGZYDVIOJU-UHFFFAOYSA-N 0 0 344.375 2.834 10 5 EFBERN COc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)ccn1 ZINC001556877014 1415093647 /nfs/dbraw/zinc/09/36/47/1415093647.db2.gz HMFBGAWTISTRCW-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN Cc1c(=O)[nH]c2ccccc2c1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556894990 1415093976 /nfs/dbraw/zinc/09/39/76/1415093976.db2.gz CQMJJSRIKUBRTM-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN Nc1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001556894676 1415094030 /nfs/dbraw/zinc/09/40/30/1415094030.db2.gz QDEBTACGDHEDCC-UHFFFAOYSA-N 0 0 332.263 2.905 10 5 EFBERN C[C@H](C(=O)NCc1cnc(Cl)cn1)c1ccc([N+](=O)[O-])cc1F ZINC001556922562 1415095553 /nfs/dbraw/zinc/09/55/53/1415095553.db2.gz JYMMDFJRGLYZCN-QMMMGPOBSA-N 0 0 338.726 2.597 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001557127568 1415107074 /nfs/dbraw/zinc/10/70/74/1415107074.db2.gz QUYUHJSMUYYVRP-ZBFHGGJFSA-N 0 0 333.294 2.683 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001557129143 1415107244 /nfs/dbraw/zinc/10/72/44/1415107244.db2.gz UFHSREPRARZVQQ-NVXWUHKLSA-N 0 0 329.331 2.760 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc3c(c2)CCCC3=O)c1[N+](=O)[O-] ZINC001557168417 1415109964 /nfs/dbraw/zinc/10/99/64/1415109964.db2.gz ORUGSKSTDGKPJB-UHFFFAOYSA-N 0 0 340.339 2.803 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001557172525 1415110028 /nfs/dbraw/zinc/11/00/28/1415110028.db2.gz OHQBZTOIVBLSSG-VXGBXAGGSA-N 0 0 349.387 2.943 10 5 EFBERN Cc1ccc([C@H](O)[C@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001557195110 1415111314 /nfs/dbraw/zinc/11/13/14/1415111314.db2.gz QCPPWXJXPNIRSQ-MEDUHNTESA-N 0 0 332.331 2.894 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC001557209108 1415113092 /nfs/dbraw/zinc/11/30/92/1415113092.db2.gz TZSRWMKYIINVDI-CYBMUJFWSA-N 0 0 326.356 2.592 10 5 EFBERN CNc1ccc(C(=O)N2NC(=O)CC23CCCCCC3)cc1[N+](=O)[O-] ZINC001557246142 1415115319 /nfs/dbraw/zinc/11/53/19/1415115319.db2.gz ZOHIQUKHUXLXFC-UHFFFAOYSA-N 0 0 346.387 2.607 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1 ZINC001557275889 1415117509 /nfs/dbraw/zinc/11/75/09/1415117509.db2.gz LKJDJIHARLTHGU-UHFFFAOYSA-N 0 0 338.323 2.736 10 5 EFBERN C[C@](CO)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001557284712 1415117577 /nfs/dbraw/zinc/11/75/77/1415117577.db2.gz ZRDCERBTAUOXOB-QGZVFWFLSA-N 0 0 348.786 2.815 10 5 EFBERN Cc1cc(=O)[nH]c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001557322057 1415120657 /nfs/dbraw/zinc/12/06/57/1415120657.db2.gz VZYXIUXYXBJMAA-UHFFFAOYSA-N 0 0 344.352 2.544 10 5 EFBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cnn1-c1ccc(C)cc1 ZINC001557324436 1415120815 /nfs/dbraw/zinc/12/08/15/1415120815.db2.gz RDMKQZNXSGPGNG-UHFFFAOYSA-N 0 0 325.328 2.978 10 5 EFBERN COc1cc(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC001557344063 1415121631 /nfs/dbraw/zinc/12/16/31/1415121631.db2.gz GVDKCGFCPOGMBR-HWPZZCPQSA-N 0 0 348.330 2.594 10 5 EFBERN CN(Cc1c[nH]cn1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001557464515 1415127284 /nfs/dbraw/zinc/12/72/84/1415127284.db2.gz GCYDQAQLGCCMNR-UHFFFAOYSA-N 0 0 328.250 2.609 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOc2ccc(O)cc2C1 ZINC001557628786 1415135193 /nfs/dbraw/zinc/13/51/93/1415135193.db2.gz IWVFFNLOIYAMJB-UHFFFAOYSA-N 0 0 348.742 2.989 10 5 EFBERN CC1(C)C[C@@]1(CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC001557632476 1415135338 /nfs/dbraw/zinc/13/53/38/1415135338.db2.gz QCMLOJAQCGGELK-GOSISDBHSA-N 0 0 340.383 2.670 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC[C@H]1CCCOC1 ZINC001557636138 1415135347 /nfs/dbraw/zinc/13/53/47/1415135347.db2.gz GXEOFTPMHILELL-LLVKDONJSA-N 0 0 326.780 2.724 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC001557711365 1415139320 /nfs/dbraw/zinc/13/93/20/1415139320.db2.gz METUFNJSFDTQJE-UHFFFAOYSA-N 0 0 346.362 2.990 10 5 EFBERN COC(=O)c1ccccc1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001557985168 1415154038 /nfs/dbraw/zinc/15/40/38/1415154038.db2.gz KMYOMVHESADESQ-UHFFFAOYSA-N 0 0 328.324 2.620 10 5 EFBERN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001558090008 1415159682 /nfs/dbraw/zinc/15/96/82/1415159682.db2.gz XLLAOSGRFQYHAK-VIFPVBQESA-N 0 0 347.749 2.565 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC(c2cnc3ccccc3n2)C1 ZINC001558177897 1415164455 /nfs/dbraw/zinc/16/44/55/1415164455.db2.gz DNJAPKWMSINKGU-UHFFFAOYSA-N 0 0 340.364 2.839 10 5 EFBERN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)cc1O ZINC001558205547 1415166024 /nfs/dbraw/zinc/16/60/24/1415166024.db2.gz ZINJVHAKPKEIHG-UHFFFAOYSA-N 0 0 330.340 2.590 10 5 EFBERN O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])s1 ZINC001558205224 1415166221 /nfs/dbraw/zinc/16/62/21/1415166221.db2.gz ZICOTIHFSMKCJF-LLVKDONJSA-N 0 0 340.788 2.643 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC001558212622 1415166341 /nfs/dbraw/zinc/16/63/41/1415166341.db2.gz PGVYOBZAMOSNKU-CQSZACIVSA-N 0 0 347.321 2.660 10 5 EFBERN O=C(Nc1cnc2[nH]ccc2c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001558287105 1415169916 /nfs/dbraw/zinc/16/99/16/1415169916.db2.gz RNJBCBSEFRLEKL-UHFFFAOYSA-N 0 0 340.324 2.680 10 5 EFBERN C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCOC2(CCC2)C1 ZINC001558416838 1415178918 /nfs/dbraw/zinc/17/89/18/1415178918.db2.gz PZJIHAQBKHZQBP-INIZCTEOSA-N 0 0 333.388 2.646 10 5 EFBERN O=C(N=[S@@]1(=O)CCc2ccccc21)c1cc(F)ccc1[N+](=O)[O-] ZINC001558469515 1415181891 /nfs/dbraw/zinc/18/18/91/1415181891.db2.gz NYWOPCAJWCJIMC-HSZRJFAPSA-N 0 0 334.328 2.957 10 5 EFBERN Nc1c(C(=O)NCC[C@H]2CCC3(CCC3)O2)cc(F)cc1[N+](=O)[O-] ZINC001558490305 1415183157 /nfs/dbraw/zinc/18/31/57/1415183157.db2.gz OFFYVBJNJNVPHW-LLVKDONJSA-N 0 0 337.351 2.538 10 5 EFBERN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ncon1 ZINC001558503256 1415183399 /nfs/dbraw/zinc/18/33/99/1415183399.db2.gz DMFRDAZHAJPMGQ-NSHDSACASA-N 0 0 348.362 2.598 10 5 EFBERN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ncon1 ZINC001558503253 1415183531 /nfs/dbraw/zinc/18/35/31/1415183531.db2.gz DMFRDAZHAJPMGQ-LLVKDONJSA-N 0 0 348.362 2.598 10 5 EFBERN CN(Cc1cccc(=O)[nH]1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001558515049 1415184468 /nfs/dbraw/zinc/18/44/68/1415184468.db2.gz XNJHSLCGKGIJPR-UHFFFAOYSA-N 0 0 335.747 2.550 10 5 EFBERN Nc1nccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)c1[N+](=O)[O-] ZINC001558550316 1415187491 /nfs/dbraw/zinc/18/74/91/1415187491.db2.gz ZDNNGWWMLWXVLM-CZMCAQCFSA-N 0 0 348.309 2.526 10 5 EFBERN O=C(N[C@@H](CCO)C1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001558551597 1415188506 /nfs/dbraw/zinc/18/85/06/1415188506.db2.gz QYBZDQCVSMXQAW-HNNXBMFYSA-N 0 0 331.372 2.747 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)CC2 ZINC001558563675 1415189614 /nfs/dbraw/zinc/18/96/14/1415189614.db2.gz JRIQYMAFYQFLEM-UHFFFAOYSA-N 0 0 332.747 2.737 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001558569559 1415190893 /nfs/dbraw/zinc/19/08/93/1415190893.db2.gz JALDWWGPYMXFAI-INIZCTEOSA-N 0 0 328.372 2.923 10 5 EFBERN C[C@H]1Cc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc2O1 ZINC001558617683 1415192712 /nfs/dbraw/zinc/19/27/12/1415192712.db2.gz SLMAZPVHJQQVOT-QMMMGPOBSA-N 0 0 331.303 2.892 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC001558613254 1415192881 /nfs/dbraw/zinc/19/28/81/1415192881.db2.gz NIDXMKIASKZBCN-UHFFFAOYSA-N 0 0 343.339 2.740 10 5 EFBERN Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001558676293 1415193953 /nfs/dbraw/zinc/19/39/53/1415193953.db2.gz UTFNNOKNQLTDCV-VIFPVBQESA-N 0 0 331.376 2.643 10 5 EFBERN COc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(Cl)n1 ZINC001558676881 1415194426 /nfs/dbraw/zinc/19/44/26/1415194426.db2.gz UTBRNJRLYAPVRP-UHFFFAOYSA-N 0 0 336.735 2.795 10 5 EFBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1Cc2cccc(Cl)c2C1 ZINC001558697416 1415196231 /nfs/dbraw/zinc/19/62/31/1415196231.db2.gz VJDBGWHXFPJLNT-HNNXBMFYSA-N 0 0 332.743 2.824 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1F)CC2 ZINC001558779817 1415200991 /nfs/dbraw/zinc/20/09/91/1415200991.db2.gz YCFDJGRAVICYGH-UHFFFAOYSA-N 0 0 344.298 2.723 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001558808745 1415203467 /nfs/dbraw/zinc/20/34/67/1415203467.db2.gz SQQFWUNOWYTZPA-KGLIPLIRSA-N 0 0 325.368 2.786 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@]12CCOC2 ZINC001558828475 1415204889 /nfs/dbraw/zinc/20/48/89/1415204889.db2.gz NZDOGEPNKCIKMK-MRXNPFEDSA-N 0 0 338.791 2.962 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc(Cl)ccc1O ZINC001558967200 1415214854 /nfs/dbraw/zinc/21/48/54/1415214854.db2.gz UUVWDFNSULNXTP-UHFFFAOYSA-N 0 0 325.683 2.669 10 5 EFBERN O=C(Nc1ccc(-c2ccon2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001559037802 1415220723 /nfs/dbraw/zinc/22/07/23/1415220723.db2.gz LPOIISAVBLAOHV-UHFFFAOYSA-N 0 0 326.268 2.603 10 5 EFBERN C[C@H]1Oc2ccc(Nc3cc(F)c([N+](=O)[O-])cc3CO)cc2NC1=O ZINC001559057917 1415221734 /nfs/dbraw/zinc/22/17/34/1415221734.db2.gz SKBZTCYKWGJBOG-MRVPVSSYSA-N 0 0 347.302 2.689 10 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/nfs/dbraw/zinc/22/45/47/1415224547.db2.gz IOLZWBGMJHEGTE-UHFFFAOYSA-N 0 0 341.820 2.746 10 5 EFBERN COC(=O)CCN(CC(C)C)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001559132144 1415225794 /nfs/dbraw/zinc/22/57/94/1415225794.db2.gz BGXRVKQYFYDVNH-UHFFFAOYSA-N 0 0 339.392 2.803 10 5 EFBERN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1=O ZINC001559172328 1415227912 /nfs/dbraw/zinc/22/79/12/1415227912.db2.gz ZBMRKTKBYWRHPE-LLVKDONJSA-N 0 0 325.796 2.941 10 5 EFBERN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1=O ZINC001559172329 1415227997 /nfs/dbraw/zinc/22/79/97/1415227997.db2.gz ZBMRKTKBYWRHPE-NSHDSACASA-N 0 0 325.796 2.941 10 5 EFBERN NC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccccn1 ZINC001559196977 1415229323 /nfs/dbraw/zinc/22/93/23/1415229323.db2.gz LKXJPYLZCXUBNI-KRWDZBQOSA-N 0 0 349.350 2.690 10 5 EFBERN O=c1ccc(Br)cn1CCNc1ccsc1[N+](=O)[O-] ZINC001559200188 1415229527 /nfs/dbraw/zinc/22/95/27/1415229527.db2.gz RDDCURZXKFTBBR-UHFFFAOYSA-N 0 0 344.190 2.693 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 ZINC001559208087 1415230191 /nfs/dbraw/zinc/23/01/91/1415230191.db2.gz UAQJTRSOJAQRSP-SFYZADRCSA-N 0 0 334.120 2.844 10 5 EFBERN C[C@H]1C[C@@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CS1 ZINC001559212533 1415230300 /nfs/dbraw/zinc/23/03/00/1415230300.db2.gz NLWZZBMFPIPVQH-DTWKUNHWSA-N 0 0 334.357 2.779 10 5 EFBERN COc1cc(NCc2nc(C(F)F)no2)c([N+](=O)[O-])cc1OC ZINC001559216620 1415230747 /nfs/dbraw/zinc/23/07/47/1415230747.db2.gz HCKRPLOHFJUCET-UHFFFAOYSA-N 0 0 330.247 2.545 10 5 EFBERN O=c1cc(CNc2nccc3c2cccc3[N+](=O)[O-])nc2ccccn12 ZINC001559226304 1415231692 /nfs/dbraw/zinc/23/16/92/1415231692.db2.gz QAAGOCKMZGMDIP-UHFFFAOYSA-N 0 0 347.334 2.763 10 5 EFBERN O=c1[nH]ccc(Oc2cc(CO)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001559244962 1415232972 /nfs/dbraw/zinc/23/29/72/1415232972.db2.gz JDIVEVROKRSSDE-UHFFFAOYSA-N 0 0 330.218 2.999 10 5 EFBERN COC(=O)c1ccc(CNc2nc3ccccn3c2[N+](=O)[O-])c(F)c1 ZINC001559244677 1415233529 /nfs/dbraw/zinc/23/35/29/1415233529.db2.gz YSGYBDKQCDIQNX-UHFFFAOYSA-N 0 0 344.302 2.780 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC001559259346 1415234024 /nfs/dbraw/zinc/23/40/24/1415234024.db2.gz SGYFUVYTBRCOQI-KYZUINATSA-N 0 0 328.394 2.767 10 5 EFBERN CN1C(=O)c2ccccc2[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001559257253 1415234196 /nfs/dbraw/zinc/23/41/96/1415234196.db2.gz KWBZGHLXWHDKJX-HNNXBMFYSA-N 0 0 349.350 2.777 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2nnc3ccc(Cl)cn32)c(Cl)c1 ZINC001559266653 1415235070 /nfs/dbraw/zinc/23/50/70/1415235070.db2.gz JNQBCQIOMYNFOG-UHFFFAOYSA-N 0 0 339.142 2.951 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C[C@@H]4CCC[C@@H]4O3)c2c1 ZINC001559271642 1415235371 /nfs/dbraw/zinc/23/53/71/1415235371.db2.gz OFJWTUZDUIDCTC-BNLOLNQZSA-N 0 0 343.383 2.943 10 5 EFBERN COc1ccc(OC)c([C@@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001559273719 1415235899 /nfs/dbraw/zinc/23/58/99/1415235899.db2.gz BENBPMGCVNASAF-DIFFPNOSSA-N 0 0 347.371 2.849 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H](O)Cc1ccc(F)cc1 ZINC001559281108 1415236336 /nfs/dbraw/zinc/23/63/36/1415236336.db2.gz IIBUWHKTSKTEFV-CQSZACIVSA-N 0 0 341.342 2.720 10 5 EFBERN O=C1CN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)CN1 ZINC001559286020 1415236610 /nfs/dbraw/zinc/23/66/10/1415236610.db2.gz KDWRNOZJDXZYEE-HNNXBMFYSA-N 0 0 331.759 2.926 10 5 EFBERN COc1cc(C)nc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001559280669 1415236682 /nfs/dbraw/zinc/23/66/82/1415236682.db2.gz PDIDOAWOBPCYSX-UHFFFAOYSA-N 0 0 342.359 2.623 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@H](c3ncccn3)C2)cc1OC(F)F ZINC001559287692 1415237090 /nfs/dbraw/zinc/23/70/90/1415237090.db2.gz ADKJWJWNKGSIIL-SNVBAGLBSA-N 0 0 336.298 2.980 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC001559337795 1415239932 /nfs/dbraw/zinc/23/99/32/1415239932.db2.gz YUANMDDKXFFBAR-UHFFFAOYSA-N 0 0 326.761 2.926 10 5 EFBERN COc1ccc(OC)c([C@H](O)COc2cc(C=O)ccc2[N+](=O)[O-])c1 ZINC001559365727 1415241351 /nfs/dbraw/zinc/24/13/51/1415241351.db2.gz UOYRVGWBXLHBGF-OAHLLOKOSA-N 0 0 347.323 2.537 10 5 EFBERN NS(=O)(=O)c1ccc(OCC/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC001559356335 1415241454 /nfs/dbraw/zinc/24/14/54/1415241454.db2.gz HDSXCJADXCTRPH-XBXARRHUSA-N 0 0 348.380 2.725 10 5 EFBERN Cn1cc(CSc2nnc(Cc3ccccc3F)o2)c([N+](=O)[O-])n1 ZINC001559369341 1415241729 /nfs/dbraw/zinc/24/17/29/1415241729.db2.gz FBHJUMQIGHBZCC-UHFFFAOYSA-N 0 0 349.347 2.734 10 5 EFBERN Cc1nn(CC(=O)Nc2ccccc2C)c2ncc([N+](=O)[O-])cc12 ZINC001559378214 1415241979 /nfs/dbraw/zinc/24/19/79/1415241979.db2.gz SKRGKJUJMPDZCS-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN COc1ccc(F)cc1C(=O)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001559378345 1415242107 /nfs/dbraw/zinc/24/21/07/1415242107.db2.gz YURAKRJKFILCDI-UHFFFAOYSA-N 0 0 344.302 2.679 10 5 EFBERN Cc1cc(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)ccn1 ZINC001559396512 1415242714 /nfs/dbraw/zinc/24/27/14/1415242714.db2.gz NYSUMXRCPVVILA-UHFFFAOYSA-N 0 0 342.380 2.837 10 5 EFBERN CC1(C)CC[C@@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)OC1 ZINC001559401636 1415243474 /nfs/dbraw/zinc/24/34/74/1415243474.db2.gz DODGWWIUSUBGPK-ZDUSSCGKSA-N 0 0 333.344 2.617 10 5 EFBERN O=c1cc2c(nn1CCOc1ccc([N+](=O)[O-])cc1)-c1ccccc1C2 ZINC001559412820 1415244158 /nfs/dbraw/zinc/24/41/58/1415244158.db2.gz FMBREDYJHFLYSA-UHFFFAOYSA-N 0 0 349.346 2.802 10 5 EFBERN Nc1nc(SCc2ccn(-c3cccc(F)c3)n2)ncc1[N+](=O)[O-] ZINC001559415445 1415244271 /nfs/dbraw/zinc/24/42/71/1415244271.db2.gz TWUXIWAVKWFRFE-UHFFFAOYSA-N 0 0 346.347 2.584 10 5 EFBERN O=c1c(F)cc([N+](=O)[O-])cn1Cc1ncc(-c2ccc(F)cc2)o1 ZINC001559429880 1415245189 /nfs/dbraw/zinc/24/51/89/1415245189.db2.gz KUFRHNLWYIPKHU-UHFFFAOYSA-N 0 0 333.250 2.738 10 5 EFBERN O=[N+]([O-])c1cc(OCc2cc(Br)no2)cc([N+](=O)[O-])c1 ZINC001559438114 1415246033 /nfs/dbraw/zinc/24/60/33/1415246033.db2.gz PXFPTUGVWSBZAR-UHFFFAOYSA-N 0 0 344.077 2.833 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnn(Cc2cnc3ccccc3c2)n1 ZINC001559474607 1415248303 /nfs/dbraw/zinc/24/83/03/1415248303.db2.gz QDXXFLJJFYTQLA-UHFFFAOYSA-N 0 0 332.323 2.845 10 5 EFBERN COCCc1noc(COc2c(F)cc([N+](=O)[O-])cc2Cl)n1 ZINC001559475413 1415248475 /nfs/dbraw/zinc/24/84/75/1415248475.db2.gz MZSRDZNJOOHNRE-UHFFFAOYSA-N 0 0 331.687 2.538 10 5 EFBERN CC(C)COC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001559470720 1415248522 /nfs/dbraw/zinc/24/85/22/1415248522.db2.gz KHSLGYFNPGSHIL-UHFFFAOYSA-N 0 0 338.751 2.706 10 5 EFBERN COc1ccc(Cl)c(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC001559474495 1415248751 /nfs/dbraw/zinc/24/87/51/1415248751.db2.gz MEDWWAGCDCEWKQ-UHFFFAOYSA-N 0 0 345.746 2.959 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCSCc2ccncc2)cc1 ZINC001559473464 1415248781 /nfs/dbraw/zinc/24/87/81/1415248781.db2.gz VLEFHYKZYACTQP-UHFFFAOYSA-N 0 0 338.410 2.697 10 5 EFBERN O=[N+]([O-])c1ccccc1CN(CC[S@@](=O)C(F)(F)F)C1CC1 ZINC001559666038 1415252906 /nfs/dbraw/zinc/25/29/06/1415252906.db2.gz XDOUSRIASOGTHC-JOCHJYFZSA-N 0 0 336.335 2.828 10 5 EFBERN CCn1cc([C@H](C)NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC001559835233 1415256695 /nfs/dbraw/zinc/25/66/95/1415256695.db2.gz DUXHXQINAZUDRV-NSHDSACASA-N 0 0 342.359 2.712 10 5 EFBERN CN(Cc1ccns1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001559985277 1415260040 /nfs/dbraw/zinc/26/00/40/1415260040.db2.gz KYRMQOSEIDHYPP-UHFFFAOYSA-N 0 0 331.357 2.733 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(Cc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001559990724 1415260172 /nfs/dbraw/zinc/26/01/72/1415260172.db2.gz WLCULNHKWBAZIP-KRWDZBQOSA-N 0 0 336.363 2.852 10 5 EFBERN Cc1nccnc1[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001560124252 1415265067 /nfs/dbraw/zinc/26/50/67/1415265067.db2.gz RFTLONQUAZZTBW-QWHCGFSZSA-N 0 0 343.387 2.679 10 5 EFBERN Cc1cccnc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001560221486 1415268581 /nfs/dbraw/zinc/26/85/81/1415268581.db2.gz XFVMPHCFVRWVAK-CHWSQXEVSA-N 0 0 328.372 2.976 10 5 EFBERN CCc1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001560215185 1415268750 /nfs/dbraw/zinc/26/87/50/1415268750.db2.gz FQOJKTDUPOQZSJ-UHFFFAOYSA-N 0 0 325.368 2.819 10 5 EFBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(S(N)(=O)=O)cc1 ZINC001560490349 1415286733 /nfs/dbraw/zinc/28/67/33/1415286733.db2.gz URZGCBYLEDVCMV-FMIVXFBMSA-N 0 0 347.396 2.758 10 5 EFBERN CC(=O)c1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001561701931 1415322670 /nfs/dbraw/zinc/32/26/70/1415322670.db2.gz AGDZVSSRMMQWAZ-UHFFFAOYSA-N 0 0 348.380 2.584 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001562660845 1415345183 /nfs/dbraw/zinc/34/51/83/1415345183.db2.gz CSYRXHUBWAKJJK-UHFFFAOYSA-N 0 0 342.355 2.899 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001564529698 1415378311 /nfs/dbraw/zinc/37/83/11/1415378311.db2.gz LSNAPRSAPLAQOQ-NXEZZACHSA-N 0 0 349.416 2.919 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CCCC12CC2 ZINC001564658890 1415380944 /nfs/dbraw/zinc/38/09/44/1415380944.db2.gz VYRXIJUCOGMNML-ZDUSSCGKSA-N 0 0 329.360 2.603 10 5 EFBERN Cc1ccc(CNC(=O)NCc2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC001565214597 1415391562 /nfs/dbraw/zinc/39/15/62/1415391562.db2.gz YDXRYHYJLYCYCG-UHFFFAOYSA-N 0 0 343.387 2.514 10 5 EFBERN C[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC001565338068 1415393485 /nfs/dbraw/zinc/39/34/85/1415393485.db2.gz OEVYEJQKMRPNJP-LQAWEQHXSA-N 0 0 341.367 2.613 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001565353957 1415394204 /nfs/dbraw/zinc/39/42/04/1415394204.db2.gz ZVBFNQHORMZWFC-AQMVCYDESA-N 0 0 329.400 2.955 10 5 EFBERN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001565571909 1415404567 /nfs/dbraw/zinc/40/45/67/1415404567.db2.gz YNHRLQRKMDCGNT-UHFFFAOYSA-N 0 0 332.707 2.614 10 5 EFBERN CCC1(C(=O)NCCN(C)c2ccc([N+](=O)[O-])c(C)n2)CCCC1 ZINC001565599142 1415405816 /nfs/dbraw/zinc/40/58/16/1415405816.db2.gz IZOGVAOZIYIOQR-UHFFFAOYSA-N 0 0 334.420 2.821 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CC(Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001565599998 1415406305 /nfs/dbraw/zinc/40/63/05/1415406305.db2.gz KWICXEFFHUZWFT-UHFFFAOYSA-N 0 0 347.758 2.734 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1Cl ZINC001565766881 1415414974 /nfs/dbraw/zinc/41/49/74/1415414974.db2.gz LEPJWJDDVLEFDR-UHFFFAOYSA-N 0 0 349.730 2.869 10 5 EFBERN O=C(c1cc(F)c[nH]c1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001565799858 1415416827 /nfs/dbraw/zinc/41/68/27/1415416827.db2.gz PKVMPJFZRYDPCO-OAHLLOKOSA-N 0 0 349.343 2.722 10 5 EFBERN O=C(c1csc(NC2CC2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001565895571 1415445359 /nfs/dbraw/zinc/44/53/59/1415445359.db2.gz YPZRVXUSTXUCJI-UHFFFAOYSA-N 0 0 330.369 2.829 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCNc1ccccc1 ZINC001565983702 1415469936 /nfs/dbraw/zinc/46/99/36/1415469936.db2.gz QCTYOWRUHOZXLN-UHFFFAOYSA-N 0 0 341.367 2.786 10 5 EFBERN Cc1csc([C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C2CC2)n1 ZINC001566005799 1415480922 /nfs/dbraw/zinc/48/09/22/1415480922.db2.gz IKGFWOTZVLLASX-QMMMGPOBSA-N 0 0 341.780 2.617 10 5 EFBERN CO[C@]1(C)C[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001566010258 1415481398 /nfs/dbraw/zinc/48/13/98/1415481398.db2.gz HWRKHRDYPIJAKM-RHSMWYFYSA-N 0 0 335.404 2.669 10 5 EFBERN CC(C)(C)Oc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001566102398 1415515111 /nfs/dbraw/zinc/51/51/11/1415515111.db2.gz BSFDHELCKBONEC-UHFFFAOYSA-N 0 0 344.371 2.679 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC2(CCC2)C1 ZINC001566351363 1415540509 /nfs/dbraw/zinc/54/05/09/1415540509.db2.gz NFCYWRQMWGNELT-UHFFFAOYSA-N 0 0 339.189 2.912 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001566286633 1415538996 /nfs/dbraw/zinc/53/89/96/1415538996.db2.gz IQFRAPVYWGHFAD-DYVFJYSZSA-N 0 0 326.356 2.859 10 5 EFBERN O=C(Nc1cccc(OCCF)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001566313894 1415539395 /nfs/dbraw/zinc/53/93/95/1415539395.db2.gz UBCJQFZJPMINKK-OAHLLOKOSA-N 0 0 334.303 2.615 10 5 EFBERN Cc1ccccc1[C@H](O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001566310867 1415539527 /nfs/dbraw/zinc/53/95/27/1415539527.db2.gz YGPBRWWEXVNFKG-MRXNPFEDSA-N 0 0 348.786 2.949 10 5 EFBERN O=C(NCc1ccc(O)c(F)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001566357840 1415542179 /nfs/dbraw/zinc/54/21/79/1415542179.db2.gz NQIZLQQMUXEAJL-ZIAGYGMSSA-N 0 0 330.315 2.859 10 5 EFBERN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1CO ZINC001566372728 1415543555 /nfs/dbraw/zinc/54/35/55/1415543555.db2.gz HKQUIFZELMKNTM-JKSUJKDBSA-N 0 0 342.351 2.838 10 5 EFBERN CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC001566402528 1415545349 /nfs/dbraw/zinc/54/53/49/1415545349.db2.gz RKSHLNQJWGARFX-UHFFFAOYSA-N 0 0 340.807 2.800 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1COc2ccccc2C1=O ZINC001566425291 1415546084 /nfs/dbraw/zinc/54/60/84/1415546084.db2.gz NOUQHNDGXFUVNP-CYBMUJFWSA-N 0 0 340.335 2.585 10 5 EFBERN CC(C)(CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC001566509193 1415598758 /nfs/dbraw/zinc/59/87/58/1415598758.db2.gz FGSAFNPJKBJLRK-UHFFFAOYSA-N 0 0 348.790 2.933 10 5 EFBERN CCc1ncc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)cn1 ZINC001566544030 1415629641 /nfs/dbraw/zinc/62/96/41/1415629641.db2.gz LRFKGCULGZESHO-UHFFFAOYSA-N 0 0 339.714 2.574 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H](O)Cc1ccccc1 ZINC001566617741 1415698007 /nfs/dbraw/zinc/69/80/07/1415698007.db2.gz GEMOBCRIKISXLW-XHDPSFHLSA-N 0 0 348.786 2.970 10 5 EFBERN CCOc1ccc(C(=O)N2CC3(C2)CC(F)(F)C3)cc1[N+](=O)[O-] ZINC001566623234 1415700807 /nfs/dbraw/zinc/70/08/07/1415700807.db2.gz UGCQZQAHFCOKKO-UHFFFAOYSA-N 0 0 326.299 2.865 10 5 EFBERN O=C(Nc1n[nH]c2c1cccc2Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001566623254 1415701657 /nfs/dbraw/zinc/70/16/57/1415701657.db2.gz UOXZHAHLKKSTJX-ZDUSSCGKSA-N 0 0 346.730 2.797 10 5 EFBERN CCC1(CC)[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1OC ZINC001566727196 1415747330 /nfs/dbraw/zinc/74/73/30/1415747330.db2.gz UKCIXFLWPKMYAI-KBPBESRZSA-N 0 0 338.379 2.986 10 5 EFBERN Cc1cccc(C2=CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)c1 ZINC001566898091 1415830451 /nfs/dbraw/zinc/83/04/51/1415830451.db2.gz PSBBZJRXUBNWRR-UHFFFAOYSA-N 0 0 338.367 2.810 10 5 EFBERN CC(C)(CCCO)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001566954187 1415867882 /nfs/dbraw/zinc/86/78/82/1415867882.db2.gz UXQRPJMCGRHNMH-UHFFFAOYSA-N 0 0 328.796 2.706 10 5 EFBERN Cc1nc(CN(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])no1 ZINC001567058445 1415918199 /nfs/dbraw/zinc/91/81/99/1415918199.db2.gz YUMIKSQVLPKACP-UHFFFAOYSA-N 0 0 338.751 2.531 10 5 EFBERN Cc1[nH]c(C=O)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001567107721 1415935729 /nfs/dbraw/zinc/93/57/29/1415935729.db2.gz BJFACTYTWJFOGG-UHFFFAOYSA-N 0 0 327.340 2.849 10 5 EFBERN Cc1c(F)cccc1C(=O)NCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001567282087 1416053569 /nfs/dbraw/zinc/05/35/69/1416053569.db2.gz LZRZMHAHQIVCCZ-UHFFFAOYSA-N 0 0 345.374 2.904 10 5 EFBERN C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1cc(Cl)ccc1F ZINC001567288027 1416057641 /nfs/dbraw/zinc/05/76/41/1416057641.db2.gz QGPOPAWNPIMYDU-SSDOTTSWSA-N 0 0 338.726 2.856 10 5 EFBERN CCN(CCNC(=O)c1ncccc1C)Cc1ccccc1[N+](=O)[O-] ZINC001567329305 1416075784 /nfs/dbraw/zinc/07/57/84/1416075784.db2.gz BGVVAYURTDPGIG-UHFFFAOYSA-N 0 0 342.399 2.550 10 5 EFBERN Cc1ccc(C(=O)NC[Si](C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001567428357 1416135011 /nfs/dbraw/zinc/13/50/11/1416135011.db2.gz ALNKSZCVZNMOIB-UHFFFAOYSA-N 0 0 328.444 2.788 10 5 EFBERN C/C=C/C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OCC ZINC001567433972 1416136633 /nfs/dbraw/zinc/13/66/33/1416136633.db2.gz SXCBHXMJQYLULZ-PYEVWLCESA-N 0 0 340.763 2.876 10 5 EFBERN CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc1 ZINC001567499862 1416162609 /nfs/dbraw/zinc/16/26/09/1416162609.db2.gz LKPOYULPZFELHY-UHFFFAOYSA-N 0 0 328.328 2.817 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Oc1ccc2c(c1)NC(=O)CC2 ZINC001567652564 1416232762 /nfs/dbraw/zinc/23/27/62/1416232762.db2.gz GYEXWXYIFLXOGA-UHFFFAOYSA-N 0 0 344.298 2.767 10 5 EFBERN COc1cc(C(=O)Nc2cnn3ccccc23)c([N+](=O)[O-])cc1F ZINC001587300155 1416255427 /nfs/dbraw/zinc/25/54/27/1416255427.db2.gz XDYQZTBDRVMILL-UHFFFAOYSA-N 0 0 330.275 2.643 10 5 EFBERN CC(C)(CC(=O)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001567792195 1416284800 /nfs/dbraw/zinc/28/48/00/1416284800.db2.gz ZPIZJVDAUKOOSS-UHFFFAOYSA-N 0 0 331.416 2.722 10 5 EFBERN Cc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(N)cc1F ZINC001567986558 1416350904 /nfs/dbraw/zinc/35/09/04/1416350904.db2.gz MLCGQCFJIIOGMD-UHFFFAOYSA-N 0 0 331.347 2.939 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001568166600 1416430906 /nfs/dbraw/zinc/43/09/06/1416430906.db2.gz XNWLZHRLEJJEFJ-AULYBMBSSA-N 0 0 329.331 2.992 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC001568203466 1416440344 /nfs/dbraw/zinc/44/03/44/1416440344.db2.gz FKDCKDREDPHXMC-RYUDHWBXSA-N 0 0 338.429 2.940 10 5 EFBERN C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(O)c1 ZINC001568236385 1416451002 /nfs/dbraw/zinc/45/10/02/1416451002.db2.gz MCDCYUFFQXZQMM-SNVBAGLBSA-N 0 0 340.339 2.597 10 5 EFBERN CC[C@@H](C)n1nccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001568236552 1416451018 /nfs/dbraw/zinc/45/10/18/1416451018.db2.gz SGNFXEDRQOIRJH-SNVBAGLBSA-N 0 0 342.359 2.569 10 5 EFBERN C[C@@H](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC001568391690 1416509771 /nfs/dbraw/zinc/50/97/71/1416509771.db2.gz ZVVKPGFEIGKPJP-NSHDSACASA-N 0 0 343.387 2.502 10 5 EFBERN CCOC[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(C)C ZINC001568433999 1416533722 /nfs/dbraw/zinc/53/37/22/1416533722.db2.gz ZWEGFEUBKOLPGG-JTQLQIEISA-N 0 0 347.774 2.760 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(=O)[nH]c2c1CCCC2 ZINC001568440288 1416535679 /nfs/dbraw/zinc/53/56/79/1416535679.db2.gz RIGRBHDCCGVDNK-UHFFFAOYSA-N 0 0 341.367 2.547 10 5 EFBERN CCO[C@@]1(C)C[C@H]1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001645818852 1416564171 /nfs/dbraw/zinc/56/41/71/1416564171.db2.gz BEAKBTFQEFVBQS-HIFRSBDPSA-N 0 0 326.780 2.865 10 5 EFBERN CNC(=O)[C@@H]1Cc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001645894923 1416581467 /nfs/dbraw/zinc/58/14/67/1416581467.db2.gz QLHDDACHJANOOT-INIZCTEOSA-N 0 0 345.786 2.926 10 5 EFBERN O=C(Nc1cnn(C2CCCC2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001645912592 1416583823 /nfs/dbraw/zinc/58/38/23/1416583823.db2.gz LLCAQFWXUFNWNQ-HNNXBMFYSA-N 0 0 330.344 2.579 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)n1 ZINC001645946511 1416590090 /nfs/dbraw/zinc/59/00/90/1416590090.db2.gz NJEXHJWBUOZZAH-UHFFFAOYSA-N 0 0 341.327 2.626 10 5 EFBERN Cc1[nH]nc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c1[N+](=O)[O-] ZINC001645958404 1416592285 /nfs/dbraw/zinc/59/22/85/1416592285.db2.gz BGOKUNKTJSOOPA-UHFFFAOYSA-N 0 0 345.315 2.518 10 5 EFBERN CC(C)n1ncc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c1N ZINC001645960187 1416592522 /nfs/dbraw/zinc/59/25/22/1416592522.db2.gz MOOLDENVMLSSSR-UHFFFAOYSA-N 0 0 343.387 2.938 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001646014059 1416600252 /nfs/dbraw/zinc/60/02/52/1416600252.db2.gz ZCRLSMUJHIMANO-UHFFFAOYSA-N 0 0 344.224 2.982 10 5 EFBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCn2nccc2C1 ZINC001646021824 1416601507 /nfs/dbraw/zinc/60/15/07/1416601507.db2.gz LCLHAFFVALGXFA-UHFFFAOYSA-N 0 0 349.350 2.509 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@H](c2ncon2)C2CC2)ccc1[N+](=O)[O-] ZINC001646080596 1416610524 /nfs/dbraw/zinc/61/05/24/1416610524.db2.gz SHHQLDPWBFUSRR-AWEZNQCLSA-N 0 0 346.343 2.646 10 5 EFBERN C[S@@](=O)(=NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001646126452 1416616863 /nfs/dbraw/zinc/61/68/63/1416616863.db2.gz RCKBMTOBWZIREJ-NRFANRHFSA-N 0 0 334.785 2.542 10 5 EFBERN O=C(Nc1ccc(-n2nnc3ccccc32)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC001646165664 1416623410 /nfs/dbraw/zinc/62/34/10/1416623410.db2.gz VWJYAFSEAZLTAH-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)c(N)c1[N+](=O)[O-] ZINC001646259839 1416639677 /nfs/dbraw/zinc/63/96/77/1416639677.db2.gz RVPPWILBYWYEMJ-SDBXPKJASA-N 0 0 329.360 2.513 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001684038796 1416691347 /nfs/dbraw/zinc/69/13/47/1416691347.db2.gz GMAGKTKNRZRZKU-BDJLRTHQSA-N 0 0 347.346 2.828 10 5 EFBERN O=C(NC[C@]12C[C@H]1CCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001684299667 1416716816 /nfs/dbraw/zinc/71/68/16/1416716816.db2.gz VQAJILIKFBEXEI-PXAZEXFGSA-N 0 0 331.372 2.558 10 5 EFBERN O=C(NCc1ccc[nH]c1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001684325308 1416717776 /nfs/dbraw/zinc/71/77/76/1416717776.db2.gz DJXZFRKZMATEMU-UHFFFAOYSA-N 0 0 342.355 2.570 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](C)c1csnn1)c1ccccc1[N+](=O)[O-] ZINC001684397793 1416720616 /nfs/dbraw/zinc/72/06/16/1416720616.db2.gz VRYDZJMCJQBOAQ-ZJUUUORDSA-N 0 0 335.389 2.610 10 5 EFBERN Cc1ccc(CNC(=O)N2CCC(c3cn[nH]c3)CC2)cc1[N+](=O)[O-] ZINC001684705969 1416728784 /nfs/dbraw/zinc/72/87/84/1416728784.db2.gz AUTJBKJIRSEONT-UHFFFAOYSA-N 0 0 343.387 2.716 10 5 EFBERN C[C@H](NC(=O)NCC[C@H](O)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001684973680 1416738618 /nfs/dbraw/zinc/73/86/18/1416738618.db2.gz BXVVAQZPEPBYBF-LRDDRELGSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](CNC(=O)NCCNc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC001685447061 1416763974 /nfs/dbraw/zinc/76/39/74/1416763974.db2.gz BJWYNJDQKCQYCV-ZDUSSCGKSA-N 0 0 343.387 2.505 10 5 EFBERN C[C@@H](CNC(=O)NC[C@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001685447838 1416764008 /nfs/dbraw/zinc/76/40/08/1416764008.db2.gz RGZSODIJUULEJL-GUYCJALGSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@@H](CNC(=O)N1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC001685448199 1416764221 /nfs/dbraw/zinc/76/42/21/1416764221.db2.gz YKYIAQGGMWSILI-NSHDSACASA-N 0 0 329.360 2.584 10 5 EFBERN Cc1ncoc1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001685579982 1416767919 /nfs/dbraw/zinc/76/79/19/1416767919.db2.gz YTHDINBGGNODGY-AWEZNQCLSA-N 0 0 344.371 2.980 10 5 EFBERN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001685635520 1416770264 /nfs/dbraw/zinc/77/02/64/1416770264.db2.gz AUTVJAHRDXCKHO-XOKHGSTOSA-N 0 0 344.415 2.615 10 5 EFBERN CC1(CC(=O)N2CC3(C2)CCN(Cc2csc([N+](=O)[O-])c2)C3)CC1 ZINC001685853674 1416774498 /nfs/dbraw/zinc/77/44/98/1416774498.db2.gz BIOKPPJFSAUARL-UHFFFAOYSA-N 0 0 349.456 2.881 10 5 EFBERN CCc1occc1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001688694345 1416996143 /nfs/dbraw/zinc/99/61/43/1416996143.db2.gz BJALJYHAKDRXSO-UHFFFAOYSA-N 0 0 343.383 2.708 10 5 EFBERN CCCc1occc1C(=O)NCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC001690127243 1417160340 /nfs/dbraw/zinc/16/03/40/1417160340.db2.gz JBJARXIHMCYPNI-UHFFFAOYSA-N 0 0 346.387 2.710 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2ccn(C(C)C)n2)ccc1[N+](=O)[O-] ZINC001690129673 1417161334 /nfs/dbraw/zinc/16/13/34/1417161334.db2.gz GVSGFIRORUZGDO-UHFFFAOYSA-N 0 0 345.403 2.547 10 5 EFBERN COCCC(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001690129561 1417161471 /nfs/dbraw/zinc/16/14/71/1417161471.db2.gz BTKPTSBZUISRTK-UHFFFAOYSA-N 0 0 337.420 2.518 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2cc(C(C)C)no2)ccc1[N+](=O)[O-] ZINC001690214958 1417174918 /nfs/dbraw/zinc/17/49/18/1417174918.db2.gz LJUWNDNPAXVEOS-UHFFFAOYSA-N 0 0 346.387 2.881 10 5 EFBERN C[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@@H]1C ZINC001693597697 1417288071 /nfs/dbraw/zinc/28/80/71/1417288071.db2.gz KVEFPQPLENIODC-TYNCELHUSA-N 0 0 343.387 2.659 10 5 EFBERN CCOCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001696396899 1417292887 /nfs/dbraw/zinc/29/28/87/1417292887.db2.gz FWWRBDGJGZQVDC-UHFFFAOYSA-N 0 0 349.391 2.668 10 5 EFBERN CN(CCNC(=O)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC001713444246 1418541108 /nfs/dbraw/zinc/54/11/08/1418541108.db2.gz JRWOHCPSUGGTNH-UHFFFAOYSA-N 0 0 331.347 2.596 10 5 EFBERN CC/C=C(/C)C(=O)N1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001717008653 1419144883 /nfs/dbraw/zinc/14/48/83/1419144883.db2.gz RZNVPVMFKPWIAG-GPYPFEAASA-N 0 0 349.456 2.903 10 5 EFBERN COC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001729805033 1426327946 /nfs/dbraw/zinc/32/79/46/1426327946.db2.gz OWHMSSHCWCNVPY-UHFFFAOYSA-N 0 0 345.403 2.877 10 5 EFBERN CO[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001729826356 1426328467 /nfs/dbraw/zinc/32/84/67/1426328467.db2.gz KQOXXHAOBRKHLY-LBPRGKRZSA-N 0 0 345.403 2.734 10 5 EFBERN CO[C@H](C)Cn1c(C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001729829143 1426328530 /nfs/dbraw/zinc/32/85/30/1426328530.db2.gz IXROUXVXQPTWNS-GFCCVEGCSA-N 0 0 345.403 2.699 10 5 EFBERN COCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC1 ZINC001730716804 1426335153 /nfs/dbraw/zinc/33/51/53/1426335153.db2.gz CAIYGPHFLYPQMX-UHFFFAOYSA-N 0 0 345.403 2.736 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000890594627 713103058 /nfs/dbraw/zinc/10/30/58/713103058.db2.gz YRFLWKHAHGODKC-YPMHNXCESA-N 0 0 334.372 2.835 10 5 EFBERN CC1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1 ZINC000306025509 713376192 /nfs/dbraw/zinc/37/61/92/713376192.db2.gz ZCELFZNKPCRCAU-UHFFFAOYSA-N 0 0 328.166 2.672 10 5 EFBERN O=c1cc[nH]c2cc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])ccc12 ZINC000804673905 713394626 /nfs/dbraw/zinc/39/46/26/713394626.db2.gz DDZDDNUKHVRIFJ-UHFFFAOYSA-N 0 0 340.295 2.957 10 5 EFBERN CCC[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H](O)c1ccccc1 ZINC000804680155 713407559 /nfs/dbraw/zinc/40/75/59/713407559.db2.gz OHYHMRVOUWCUDN-SJLPKXTDSA-N 0 0 345.399 2.984 10 5 EFBERN COc1ccc([C@@H]2C[C@H]2Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000804681411 713407972 /nfs/dbraw/zinc/40/79/72/713407972.db2.gz MZJBVBNXINHADI-GOEBONIOSA-N 0 0 329.356 2.646 10 5 EFBERN Cc1cc(N2CCO[C@@]3(CCCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000804767954 713464047 /nfs/dbraw/zinc/46/40/47/713464047.db2.gz JQAQVGFVIYPTKF-HNNXBMFYSA-N 0 0 326.780 2.942 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804792789 713470657 /nfs/dbraw/zinc/47/06/57/713470657.db2.gz TUTGWCZIEGCMPZ-HQJQHLMTSA-N 0 0 335.238 2.659 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000924330711 713624099 /nfs/dbraw/zinc/62/40/99/713624099.db2.gz JCIVALOZQQPXHZ-LLVKDONJSA-N 0 0 330.319 2.544 10 5 EFBERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCCn2cnc([N+](=O)[O-])n2)cc1 ZINC000176696678 713657816 /nfs/dbraw/zinc/65/78/16/713657816.db2.gz FIOZYOKTNOEKRF-LSDHHAIUSA-N 0 0 344.371 2.657 10 5 EFBERN Cc1ccc(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000806828083 713891889 /nfs/dbraw/zinc/89/18/89/713891889.db2.gz BBQBGOCDKLMRMP-UHFFFAOYSA-N 0 0 349.774 2.689 10 5 EFBERN COc1cc(C(=O)OC/C=C/Br)cc([N+](=O)[O-])c1C ZINC000813931070 714033488 /nfs/dbraw/zinc/03/34/88/714033488.db2.gz HBBZUVLEWNTYIK-ONEGZZNKSA-N 0 0 330.134 2.977 10 5 EFBERN C[C@]1(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCO1 ZINC000177219566 717948622 /nfs/dbraw/zinc/94/86/22/717948622.db2.gz ALLDOENWBJSEOC-MRXNPFEDSA-N 0 0 331.328 2.506 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1COC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000924351662 714401540 /nfs/dbraw/zinc/40/15/40/714401540.db2.gz MEOCMGFYQBBAFV-CABCVRRESA-N 0 0 335.356 2.994 10 5 EFBERN COC(=O)/C=C\c1ccc(NC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000255240338 714436848 /nfs/dbraw/zinc/43/68/48/714436848.db2.gz RKXMVJCTXYZPRF-PXAMLJHWSA-N 0 0 342.351 2.927 10 5 EFBERN O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000933086538 714462314 /nfs/dbraw/zinc/46/23/14/714462314.db2.gz CDGUMVMZQDDEMP-DARAHFNDSA-N 0 0 344.415 2.829 10 5 EFBERN C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000003383695 714568375 /nfs/dbraw/zinc/56/83/75/714568375.db2.gz WERJVMKRRQEKCR-LLVKDONJSA-N 0 0 346.314 2.768 10 5 EFBERN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000003387471 714573582 /nfs/dbraw/zinc/57/35/82/714573582.db2.gz NYQKEJAZWLEGDO-UHFFFAOYSA-N 0 0 332.287 2.838 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000926674949 717991124 /nfs/dbraw/zinc/99/11/24/717991124.db2.gz CZDXIAPRXFLWIL-IONNQARKSA-N 0 0 333.266 2.923 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000096911687 714705874 /nfs/dbraw/zinc/70/58/74/714705874.db2.gz AWVPEMPBTOQOFF-ALCCZGGFSA-N 0 0 345.330 2.689 10 5 EFBERN COc1ccc(COC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000924360632 714784931 /nfs/dbraw/zinc/78/49/31/714784931.db2.gz PZBDLQGLUHQAMR-ZFWWWQNUSA-N 0 0 335.356 2.994 10 5 EFBERN CCc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2OC)s1 ZINC000101579136 714903784 /nfs/dbraw/zinc/90/37/84/714903784.db2.gz WIKRJIVLIVZDFO-UHFFFAOYSA-N 0 0 343.382 2.995 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(=O)C[C@H]1C1CC1 ZINC000891774774 715009906 /nfs/dbraw/zinc/00/99/06/715009906.db2.gz OSTRUYUZRRDGHL-INIZCTEOSA-N 0 0 343.383 2.753 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000176169718 715162206 /nfs/dbraw/zinc/16/22/06/715162206.db2.gz HOUFURSQIFFYIP-LBPRGKRZSA-N 0 0 346.387 2.566 10 5 EFBERN CCO[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCOC1 ZINC000866854805 715219899 /nfs/dbraw/zinc/21/98/99/715219899.db2.gz ULEAGDBANYPESY-WMLDXEAASA-N 0 0 348.399 2.527 10 5 EFBERN CCC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000909354567 715446582 /nfs/dbraw/zinc/44/65/82/715446582.db2.gz XKJNLLSEPKQJOO-JTQLQIEISA-N 0 0 342.298 2.780 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000893453227 715556441 /nfs/dbraw/zinc/55/64/41/715556441.db2.gz XTBNZEYSCOIGEU-OWCLPIDISA-N 0 0 333.388 2.770 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724560587 715571281 /nfs/dbraw/zinc/57/12/81/715571281.db2.gz WLYFBFZAZINVBX-LNLATYFQSA-N 0 0 343.177 2.573 10 5 EFBERN COC[C@H](COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000893455043 715574413 /nfs/dbraw/zinc/57/44/13/715574413.db2.gz GEEZIFDBORFVAU-LLVKDONJSA-N 0 0 341.360 2.687 10 5 EFBERN CCO[C@H]1C[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000176711713 715658741 /nfs/dbraw/zinc/65/87/41/715658741.db2.gz SWWFNUJCUGNOHP-UONOGXRCSA-N 0 0 339.392 2.708 10 5 EFBERN CC(=O)CCN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000135172980 715676263 /nfs/dbraw/zinc/67/62/63/715676263.db2.gz MIYOOZHJNMDVNM-UHFFFAOYSA-N 0 0 347.415 2.882 10 5 EFBERN C[C@H](OC(=O)c1ccc(CNC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000066879144 715684429 /nfs/dbraw/zinc/68/44/29/715684429.db2.gz JLBCLVVLXJQGNF-NSHDSACASA-N 0 0 343.339 2.681 10 5 EFBERN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000892279067 715698462 /nfs/dbraw/zinc/69/84/62/715698462.db2.gz MRMQZFCKGYWRQS-CHWSQXEVSA-N 0 0 342.436 2.933 10 5 EFBERN O=C(Cn1ccc(=O)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1 ZINC000128064422 715698988 /nfs/dbraw/zinc/69/89/88/715698988.db2.gz YRONPPMCMQYTME-UHFFFAOYSA-N 0 0 338.319 2.653 10 5 EFBERN O=C(OCCOCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000061081702 715802618 /nfs/dbraw/zinc/80/26/18/715802618.db2.gz CZWWSSNWSLNYAS-UHFFFAOYSA-N 0 0 331.324 2.847 10 5 EFBERN Cc1cc(C(=O)Nc2cc(Cl)ccc2C(N)=O)cc([N+](=O)[O-])c1 ZINC000121999631 715916615 /nfs/dbraw/zinc/91/66/15/715916615.db2.gz BQBIIOARHJIAGW-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN CC(C)C[C@H]1COCC[C@@H]1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000893485846 715977530 /nfs/dbraw/zinc/97/75/30/715977530.db2.gz WVTPPMFKCAWINF-BBRMVZONSA-N 0 0 337.372 2.968 10 5 EFBERN C[C@@H](COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000893507703 716281707 /nfs/dbraw/zinc/28/17/07/716281707.db2.gz VNNTWQCVOSBGOG-LRDDRELGSA-N 0 0 347.371 2.693 10 5 EFBERN CC(C)C1CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000935063324 716283293 /nfs/dbraw/zinc/28/32/93/716283293.db2.gz BSCQLLVRPGXPBR-UHFFFAOYSA-N 0 0 342.193 2.668 10 5 EFBERN Cc1cc(N[C@@H]2CC23CC(O)C3)c(Br)cc1[N+](=O)[O-] ZINC000724918312 716391584 /nfs/dbraw/zinc/39/15/84/716391584.db2.gz ROAAWNWIWRGALK-ATVVMRJVSA-N 0 0 327.178 2.991 10 5 EFBERN CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000381754304 716541543 /nfs/dbraw/zinc/54/15/43/716541543.db2.gz UXNJKWZAGFUCPR-UHFFFAOYSA-N 0 0 330.182 2.870 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C)c(C)c1 ZINC000052781801 716602792 /nfs/dbraw/zinc/60/27/92/716602792.db2.gz PWHQHUMAVRBPBX-UHFFFAOYSA-N 0 0 337.353 2.988 10 5 EFBERN Cc1cc(CNCc2ccc(Br)cc2[N+](=O)[O-])on1 ZINC000162161046 716705289 /nfs/dbraw/zinc/70/52/89/716705289.db2.gz OEGOHYWRHRUGTB-UHFFFAOYSA-N 0 0 326.150 2.944 10 5 EFBERN CCCCC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000102742782 717762372 /nfs/dbraw/zinc/76/23/72/717762372.db2.gz PDIJLOVQHCGSHC-CQSZACIVSA-N 0 0 331.376 2.624 10 5 EFBERN CC[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCN1CC(F)F ZINC000179555708 717786092 /nfs/dbraw/zinc/78/60/92/717786092.db2.gz XOKIDKFFQYMHRC-ZDUSSCGKSA-N 0 0 331.338 2.895 10 5 EFBERN COc1ccccc1[C@@H](O)CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000177659557 718148003 /nfs/dbraw/zinc/14/80/03/718148003.db2.gz DWALCBKRLRJXSX-AWEZNQCLSA-N 0 0 348.330 2.514 10 5 EFBERN CCC[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000177789159 718200799 /nfs/dbraw/zinc/20/07/99/718200799.db2.gz HRNJOHGVNZZNNF-WDEREUQCSA-N 0 0 340.401 2.993 10 5 EFBERN C[C@@H](O)C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000311642544 718800283 /nfs/dbraw/zinc/80/02/83/718800283.db2.gz 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724022028 /nfs/dbraw/zinc/02/20/28/724022028.db2.gz XMFZFPUFBAVKGL-JTQLQIEISA-N 0 0 326.312 2.702 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000895344090 724052681 /nfs/dbraw/zinc/05/26/81/724052681.db2.gz KWAUXAXSHJGLIW-UHFFFAOYSA-N 0 0 340.339 2.758 10 5 EFBERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000895356195 724068340 /nfs/dbraw/zinc/06/83/40/724068340.db2.gz HLVWUQXOMLZVPK-RKDXNWHRSA-N 0 0 328.394 2.719 10 5 EFBERN COC(C)(C)[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000928597267 724124180 /nfs/dbraw/zinc/12/41/80/724124180.db2.gz PRECFMFWNYNZFE-MRVPVSSYSA-N 0 0 345.193 2.901 10 5 EFBERN CC(=O)c1c(NC[C@@]2(c3cnn(C)c3)CCCO2)cccc1[N+](=O)[O-] ZINC000897255964 724132973 /nfs/dbraw/zinc/13/29/73/724132973.db2.gz WEHIVJCIPZZXTL-QGZVFWFLSA-N 0 0 344.371 2.649 10 5 EFBERN CC(=O)c1c(NC[C@]2(c3cnn(C)c3)CCCO2)cccc1[N+](=O)[O-] ZINC000897255963 724133051 /nfs/dbraw/zinc/13/30/51/724133051.db2.gz WEHIVJCIPZZXTL-KRWDZBQOSA-N 0 0 344.371 2.649 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Cc1cc(C)nc(C2CN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000913608704 725682725 /nfs/dbraw/zinc/68/27/25/725682725.db2.gz WLZTZRPSVKCMFF-CYBMUJFWSA-N 0 0 340.383 2.731 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000913612399 725715941 /nfs/dbraw/zinc/71/59/41/725715941.db2.gz QQIFNRJXRFTLGP-UHFFFAOYSA-N 0 0 326.356 2.550 10 5 EFBERN Cc1cc(C)nc(C2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000913614180 725737699 /nfs/dbraw/zinc/73/76/99/725737699.db2.gz KXCQMNURUYGEBG-YVMONPNESA-N 0 0 338.367 2.641 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC(c2ncc(C3CC3)cn2)C1 ZINC000913615484 725756886 /nfs/dbraw/zinc/75/68/86/725756886.db2.gz AIXBDMKLMUYZPD-UHFFFAOYSA-N 0 0 342.330 2.641 10 5 EFBERN Cc1sc(C(=O)N2CC(c3ncc(C4CC4)cn3)C2)cc1[N+](=O)[O-] ZINC000913623575 725784665 /nfs/dbraw/zinc/78/46/65/725784665.db2.gz RBZIJMIGGGZNJZ-UHFFFAOYSA-N 0 0 344.396 2.872 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000151687649 725808454 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O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000920821594 729230621 /nfs/dbraw/zinc/23/06/21/729230621.db2.gz LKBNOXMUMWDUDY-YOGCLGLASA-N 0 0 342.442 2.547 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)S3)s1 ZINC000920830328 729235422 /nfs/dbraw/zinc/23/54/22/729235422.db2.gz JIPPAVXBTFSAIA-PBINXNQUSA-N 0 0 348.471 2.609 10 5 EFBERN Cc1cc(C(=O)OCC(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000920903946 729243457 /nfs/dbraw/zinc/24/34/57/729243457.db2.gz ZQFIIHCOHMHHMK-UHFFFAOYSA-N 0 0 332.287 2.838 10 5 EFBERN C[C@@H](OC[C@@H]1CCCCO1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000921223487 729276876 /nfs/dbraw/zinc/27/68/76/729276876.db2.gz LTWPBOXVVURBST-PWSUYJOCSA-N 0 0 329.374 2.674 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000921333971 729290737 /nfs/dbraw/zinc/29/07/37/729290737.db2.gz BWWYNZWNPXHTKP-OAGGEKHMSA-N 0 0 333.388 2.913 10 5 EFBERN CC(C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000921362202 729294597 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CCC(=O)NCC1(C)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001569695238 1085526349 /nfs/dbraw/zinc/52/63/49/1085526349.db2.gz IVCFRLUAPRMAGQ-UHFFFAOYSA-N 0 0 325.434 2.785 10 5 EFBERN O=C(NCc1cc(F)cnc1Cl)c1ccc([N+](=O)[O-])cc1F ZINC001569846320 1085670293 /nfs/dbraw/zinc/67/02/93/1085670293.db2.gz WMPBDWKPHUQLCJ-UHFFFAOYSA-N 0 0 327.674 2.851 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CNC(=O)Nc1ccccc1 ZINC001569994142 1085832417 /nfs/dbraw/zinc/83/24/17/1085832417.db2.gz KSLAOOGWTLAOFO-UHFFFAOYSA-N 0 0 342.355 2.972 10 5 EFBERN Nc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC001570051734 1085905386 /nfs/dbraw/zinc/90/53/86/1085905386.db2.gz WLASWLXGQBLUTR-UHFFFAOYSA-N 0 0 349.730 2.854 10 5 EFBERN C[C@@H](OCCc1ccccc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001570051530 1085905857 /nfs/dbraw/zinc/90/58/57/1085905857.db2.gz NRYNEFKGSARPHI-GFCCVEGCSA-N 0 0 329.356 2.763 10 5 EFBERN COc1nccc2c(NC(=O)c3cccc([N+](=O)[O-])c3N)cccc12 ZINC001570178262 1086015332 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EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cn1 ZINC001583698748 1092058475 /nfs/dbraw/zinc/05/84/75/1092058475.db2.gz XHIRQOWCHZGYFP-UHFFFAOYSA-N 0 0 341.245 2.912 10 5 EFBERN O=C(Nc1nocc1C1CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001583707635 1092059628 /nfs/dbraw/zinc/05/96/28/1092059628.db2.gz TULZSGKGQVSMNR-CQSZACIVSA-N 0 0 342.311 2.592 10 5 EFBERN CN1Cc2c(cccc2NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC001583735526 1092063663 /nfs/dbraw/zinc/06/36/63/1092063663.db2.gz IBZMPKKITFULKP-UHFFFAOYSA-N 0 0 343.314 2.501 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC001583786756 1092067934 /nfs/dbraw/zinc/06/79/34/1092067934.db2.gz IMMLAXCRFNTJJE-UHFFFAOYSA-N 0 0 332.335 2.785 10 5 EFBERN O=C(Nc1cccc2c1CCNC2=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001583808964 1092070771 /nfs/dbraw/zinc/07/07/71/1092070771.db2.gz OILDJSSGQGSTMJ-UHFFFAOYSA-N 0 0 345.742 2.786 10 5 EFBERN CCc1cc(NC(=O)[C@@H](C)[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC001583815425 1092072016 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COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1COCc2ccccc21 ZINC001584179513 1092123404 /nfs/dbraw/zinc/12/34/04/1092123404.db2.gz WFNBHANCNNDZGZ-HNNXBMFYSA-N 0 0 328.324 2.605 10 5 EFBERN Cc1cc2nc(C)cc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)n2n1 ZINC001584212916 1092127848 /nfs/dbraw/zinc/12/78/48/1092127848.db2.gz KUANNOTZFIYVTO-GFCCVEGCSA-N 0 0 339.355 2.745 10 5 EFBERN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC001584213302 1092127895 /nfs/dbraw/zinc/12/78/95/1092127895.db2.gz QDRBHWAVNLROJR-BZNIZROVSA-N 0 0 340.335 2.554 10 5 EFBERN CSc1cncc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001584216848 1092128296 /nfs/dbraw/zinc/12/82/96/1092128296.db2.gz VHTHZBMVUGLPON-UHFFFAOYSA-N 0 0 329.341 2.840 10 5 EFBERN CC(=O)NCc1cccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001584294041 1092139529 /nfs/dbraw/zinc/13/95/29/1092139529.db2.gz BWPDGQPZDYKLOR-LBPRGKRZSA-N 0 0 341.367 2.722 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)n1 ZINC001584332663 1092146325 /nfs/dbraw/zinc/14/63/25/1092146325.db2.gz ZPFIMEDZHKMGLE-LBPRGKRZSA-N 0 0 347.268 2.805 10 5 EFBERN Cc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc1 ZINC001584417662 1092166551 /nfs/dbraw/zinc/16/65/51/1092166551.db2.gz DDQMJVONFFPIHG-UHFFFAOYSA-N 0 0 336.351 2.819 10 5 EFBERN CC(C)c1nnc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]1 ZINC001584427764 1092174040 /nfs/dbraw/zinc/17/40/40/1092174040.db2.gz OJDGFKOOGUUKGI-UHFFFAOYSA-N 0 0 329.360 2.897 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)n1 ZINC001584441342 1092176664 /nfs/dbraw/zinc/17/66/64/1092176664.db2.gz ZBDHHAYXWCKEMJ-INIZCTEOSA-N 0 0 345.399 2.720 10 5 EFBERN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001584452273 1092177516 /nfs/dbraw/zinc/17/75/16/1092177516.db2.gz XAFCANGTKVWSCI-XEZPLFJOSA-N 0 0 340.383 2.947 10 5 EFBERN Cc1c2ccccc2sc1[C@@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001584456838 1092178212 /nfs/dbraw/zinc/17/82/12/1092178212.db2.gz SHUOTJXRMAYPIL-SNVBAGLBSA-N 0 0 345.384 2.587 10 5 EFBERN COC(=O)c1ccc(OC(=O)c2cc(C)c(C)cn2)cc1[N+](=O)[O-] ZINC001584479517 1092182376 /nfs/dbraw/zinc/18/23/76/1092182376.db2.gz HEOSZQZEYCDVBZ-UHFFFAOYSA-N 0 0 330.296 2.612 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)n1 ZINC001584495939 1092184549 /nfs/dbraw/zinc/18/45/49/1092184549.db2.gz IHNMQOBXUQPJQN-AWEZNQCLSA-N 0 0 343.387 2.883 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CC(Cc3ccco3)C2)cc1[N+](=O)[O-] ZINC001584537498 1092196143 /nfs/dbraw/zinc/19/61/43/1092196143.db2.gz VANZOLGAVBWAAN-UHFFFAOYSA-N 0 0 335.747 2.738 10 5 EFBERN O=C1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](c2ccccc2)CN1 ZINC001648404364 1092211661 /nfs/dbraw/zinc/21/16/61/1092211661.db2.gz NBLLWAWPHSPMEZ-INIZCTEOSA-N 0 0 345.786 2.921 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccnc1C1CC1 ZINC001648480827 1092223312 /nfs/dbraw/zinc/22/33/12/1092223312.db2.gz HQYAKZGBBMBMKN-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN CC(C)(C(=O)Nc1cc(Cl)cc2c[nH]nc21)n1cc([N+](=O)[O-])cn1 ZINC001648601993 1092238481 /nfs/dbraw/zinc/23/84/81/1092238481.db2.gz LJSPKQSPLTZRIM-UHFFFAOYSA-N 0 0 348.750 2.695 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001648603417 1092238638 /nfs/dbraw/zinc/23/86/38/1092238638.db2.gz MHMLLMSQQVOQJN-ZDUSSCGKSA-N 0 0 345.742 2.541 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001648721577 1092260021 /nfs/dbraw/zinc/26/00/21/1092260021.db2.gz WRTHZLKFBCONDB-QWHCGFSZSA-N 0 0 337.339 2.917 10 5 EFBERN Cc1c(C(=O)Nc2cnn3c2CCCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001648731681 1092261463 /nfs/dbraw/zinc/26/14/63/1092261463.db2.gz CQYGYSNFHNJCIB-UHFFFAOYSA-N 0 0 345.315 2.597 10 5 EFBERN CN(C)c1ccc(COC(=O)c2cccc(F)c2O)cc1[N+](=O)[O-] ZINC001584745502 1092269854 /nfs/dbraw/zinc/26/98/54/1092269854.db2.gz XBONOXDCGABXBR-UHFFFAOYSA-N 0 0 334.303 2.863 10 5 EFBERN O=C(NCc1ccns1)c1c(Br)cccc1[N+](=O)[O-] ZINC001584765757 1092276406 /nfs/dbraw/zinc/27/64/06/1092276406.db2.gz PYTPVWLPFUIDLV-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c(F)cccc1Cl ZINC001584764483 1092277125 /nfs/dbraw/zinc/27/71/25/1092277125.db2.gz JLKARJRYFVWNJR-UHFFFAOYSA-N 0 0 326.715 2.921 10 5 EFBERN COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n(C)n1 ZINC001584935408 1092331751 /nfs/dbraw/zinc/33/17/51/1092331751.db2.gz ZKAPNSMPFUJRPY-UHFFFAOYSA-N 0 0 345.142 2.896 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC001584941823 1092332435 /nfs/dbraw/zinc/33/24/35/1092332435.db2.gz DUYOTJIRCSLQHG-HNNXBMFYSA-N 0 0 342.355 2.665 10 5 EFBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)ccc1-n1ccnc1 ZINC001584948147 1092335362 /nfs/dbraw/zinc/33/53/62/1092335362.db2.gz MBSYIEAABYNATM-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN Cc1cc(C(=O)N[C@H]2CCc3ccc(O)cc32)c(N)c([N+](=O)[O-])c1 ZINC001584973841 1092342603 /nfs/dbraw/zinc/34/26/03/1092342603.db2.gz RIOHYTPICPYBTP-AWEZNQCLSA-N 0 0 327.340 2.608 10 5 EFBERN C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001584981729 1092343860 /nfs/dbraw/zinc/34/38/60/1092343860.db2.gz WTVANYJTWJHSLB-NEPJUHHUSA-N 0 0 341.795 2.556 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC001585002597 1092350452 /nfs/dbraw/zinc/35/04/52/1092350452.db2.gz AEDGHBSCDWUBPV-ZDUSSCGKSA-N 0 0 342.351 2.765 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1ccc(Cl)c(F)c1F ZINC001585004333 1092350692 /nfs/dbraw/zinc/35/06/92/1092350692.db2.gz XHKZYVLULRRAPA-UHFFFAOYSA-N 0 0 331.662 2.637 10 5 EFBERN CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C(=O)OC ZINC001585033232 1092355319 /nfs/dbraw/zinc/35/53/19/1092355319.db2.gz PYRHMHOVGWRYIR-UHFFFAOYSA-N 0 0 334.328 2.755 10 5 EFBERN Cc1cccn2cc(CNC(=O)c3c(C)c(F)ccc3[N+](=O)[O-])nc12 ZINC001585107424 1092371110 /nfs/dbraw/zinc/37/11/10/1092371110.db2.gz MHUXUXVYZDWRON-UHFFFAOYSA-N 0 0 342.330 2.928 10 5 EFBERN Cc1nnc(CCC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)o1 ZINC001585126003 1092376911 /nfs/dbraw/zinc/37/69/11/1092376911.db2.gz VSLSEIQFKFKSLW-UHFFFAOYSA-N 0 0 330.344 2.588 10 5 EFBERN Cc1nocc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001585123180 1092377167 /nfs/dbraw/zinc/37/71/67/1092377167.db2.gz VLUWYBONJWLRLW-MRVPVSSYSA-N 0 0 325.708 2.951 10 5 EFBERN O=Cc1cncc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC001585124984 1092377839 /nfs/dbraw/zinc/37/78/39/1092377839.db2.gz HUXULELVJKVRFX-UHFFFAOYSA-N 0 0 325.324 2.785 10 5 EFBERN CCOC(=O)[C@@H](CC)C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001585125636 1092377966 /nfs/dbraw/zinc/37/79/66/1092377966.db2.gz OXUCEXRZDPLSAS-AWEZNQCLSA-N 0 0 334.372 2.853 10 5 EFBERN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1csnn1 ZINC001585219062 1092407680 /nfs/dbraw/zinc/40/76/80/1092407680.db2.gz BZOUHJFBNRVJPO-MRVPVSSYSA-N 0 0 330.325 2.913 10 5 EFBERN C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1csnn1 ZINC001585219063 1092408396 /nfs/dbraw/zinc/40/83/96/1092408396.db2.gz BZOUHJFBNRVJPO-QMMMGPOBSA-N 0 0 330.325 2.913 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001585241215 1092417696 /nfs/dbraw/zinc/41/76/96/1092417696.db2.gz ZLLYQQQNTLHKDB-UHFFFAOYSA-N 0 0 335.266 2.616 10 5 EFBERN NC(=O)c1cc(NC(=O)/C=C/Sc2ccccc2)ccc1[N+](=O)[O-] ZINC001585249707 1092421732 /nfs/dbraw/zinc/42/17/32/1092421732.db2.gz WUSKMTGTRVVLJJ-CMDGGOBGSA-N 0 0 343.364 2.938 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001585326643 1092449191 /nfs/dbraw/zinc/44/91/91/1092449191.db2.gz RWEDPXDLYTXXLM-DIOULYMOSA-N 0 0 343.770 2.899 10 5 EFBERN O=[N+]([O-])c1ccccc1NCCNc1ncnc(-c2ccccc2)n1 ZINC001649432600 1092449872 /nfs/dbraw/zinc/44/98/72/1092449872.db2.gz XISBXFKLTDMCAB-UHFFFAOYSA-N 0 0 336.355 2.971 10 5 EFBERN O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC001585349066 1092456538 /nfs/dbraw/zinc/45/65/38/1092456538.db2.gz YEUGJMPBSFKPPL-SGIREYDYSA-N 0 0 330.290 2.941 10 5 EFBERN Cc1cc(C(=O)N[C@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC001585380322 1092467017 /nfs/dbraw/zinc/46/70/17/1092467017.db2.gz IZIDDTNVCRTMQY-CQSZACIVSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1cc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC001585380321 1092467377 /nfs/dbraw/zinc/46/73/77/1092467377.db2.gz IZIDDTNVCRTMQY-AWEZNQCLSA-N 0 0 336.294 2.645 10 5 EFBERN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC001585413762 1092476182 /nfs/dbraw/zinc/47/61/82/1092476182.db2.gz ZWRVAQKBMQTLAM-UHFFFAOYSA-N 0 0 328.372 2.947 10 5 EFBERN CCOc1ccc(C(=O)OCC(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000785108730 1092491628 /nfs/dbraw/zinc/49/16/28/1092491628.db2.gz MXIFMSHIHAYKQD-UHFFFAOYSA-N 0 0 343.335 2.962 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1C(=O)C(C)C ZINC001585538413 1092515923 /nfs/dbraw/zinc/51/59/23/1092515923.db2.gz XOCOLFJVPRMPJU-UHFFFAOYSA-N 0 0 327.340 2.811 10 5 EFBERN O=C(NCC(F)(F)c1ccc(F)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001585616091 1092524495 /nfs/dbraw/zinc/52/44/95/1092524495.db2.gz BMLRZGGYEDYWNU-UHFFFAOYSA-N 0 0 348.668 2.632 10 5 EFBERN O=C(Nc1cnc2ccccn12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001585636894 1092529187 /nfs/dbraw/zinc/52/91/87/1092529187.db2.gz QCPWKWYQUBFBIH-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cc1C ZINC001585683299 1092544371 /nfs/dbraw/zinc/54/43/71/1092544371.db2.gz XPZNZOCADXTMRT-UHFFFAOYSA-N 0 0 343.339 2.954 10 5 EFBERN O=C(Nc1cnc(C(F)(F)F)nc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001585682534 1092544423 /nfs/dbraw/zinc/54/44/23/1092544423.db2.gz WPPPWDZRGRTXLL-UHFFFAOYSA-N 0 0 348.187 2.934 10 5 EFBERN Cc1cc2nccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)n2n1 ZINC001585715875 1092555314 /nfs/dbraw/zinc/55/53/14/1092555314.db2.gz FEAZLWSLBMUXJQ-UHFFFAOYSA-N 0 0 336.311 2.680 10 5 EFBERN Cn1nc(CC(C)(C)C)cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001585755098 1092563437 /nfs/dbraw/zinc/56/34/37/1092563437.db2.gz OQFBATPDGWBDGK-UHFFFAOYSA-N 0 0 340.771 2.546 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001585763772 1092566186 /nfs/dbraw/zinc/56/61/86/1092566186.db2.gz PTAUEZSXJAIODW-YVEFUNNKSA-N 0 0 346.408 2.925 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)Oc1ccccc1Br ZINC001349806137 1092573549 /nfs/dbraw/zinc/57/35/49/1092573549.db2.gz RTHMKTGAPNZCGX-ZJUUUORDSA-N 0 0 346.177 2.815 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]1c1nc[nH]n1 ZINC001167528008 1092574097 /nfs/dbraw/zinc/57/40/97/1092574097.db2.gz VSNZTDDESOSGPO-ZDUSSCGKSA-N 0 0 349.778 2.663 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccnc3ccccc23)n1 ZINC001585815638 1092582963 /nfs/dbraw/zinc/58/29/63/1092582963.db2.gz XHZVKYRZPYCTOR-UHFFFAOYSA-N 0 0 336.351 2.819 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001585837468 1092591471 /nfs/dbraw/zinc/59/14/71/1092591471.db2.gz MHUZXOKUWMDIQS-NWDGAFQWSA-N 0 0 343.339 2.671 10 5 EFBERN C/C(=C\C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)c1cnccn1 ZINC001585841263 1092593013 /nfs/dbraw/zinc/59/30/13/1092593013.db2.gz GIWYGYNXISWCRF-DHZHZOJOSA-N 0 0 335.323 2.975 10 5 EFBERN O=C(COCc1ccncc1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585847942 1092596623 /nfs/dbraw/zinc/59/66/23/1092596623.db2.gz UWZSUVAJIPRXMR-UHFFFAOYSA-N 0 0 338.323 2.693 10 5 EFBERN Cc1ncncc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001585872941 1092606576 /nfs/dbraw/zinc/60/65/76/1092606576.db2.gz ULSFDGAUQLTLPW-UHFFFAOYSA-N 0 0 336.735 2.754 10 5 EFBERN O=C(Nc1ccc(CO)c(CO)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001585885633 1092610306 /nfs/dbraw/zinc/61/03/06/1092610306.db2.gz VSMQIBSXUOTOTE-UHFFFAOYSA-N 0 0 342.307 2.578 10 5 EFBERN Cn1nnc2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc21 ZINC001585894457 1092613130 /nfs/dbraw/zinc/61/31/30/1092613130.db2.gz OOKQDQHAPGAOJL-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc1 ZINC001585925603 1092621826 /nfs/dbraw/zinc/62/18/26/1092621826.db2.gz XICUUHBTMNDXPT-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN CCOc1cc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC001585926445 1092622451 /nfs/dbraw/zinc/62/24/51/1092622451.db2.gz FIIXUAKKVHOLSW-INIZCTEOSA-N 0 0 349.387 2.627 10 5 EFBERN CCOc1cc(NC(=O)c2c(OC)ccnc2OC)ccc1[N+](=O)[O-] ZINC001585926718 1092623314 /nfs/dbraw/zinc/62/33/14/1092623314.db2.gz LTOBLSTVIJOAIA-UHFFFAOYSA-N 0 0 347.327 2.658 10 5 EFBERN O=C(Nc1ccnn1C1CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001585927679 1092623834 /nfs/dbraw/zinc/62/38/34/1092623834.db2.gz HKJVCDCXTYVALV-UHFFFAOYSA-N 0 0 331.288 2.677 10 5 EFBERN O=C(CC(F)(F)C(F)(F)F)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586034025 1092662087 /nfs/dbraw/zinc/66/20/87/1092662087.db2.gz IQVYNBXHFWEOAZ-UHFFFAOYSA-N 0 0 344.148 2.996 10 5 EFBERN Cc1nn(C)c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1Cl ZINC001586068052 1092670621 /nfs/dbraw/zinc/67/06/21/1092670621.db2.gz BDSZNHYHNYPDHD-UHFFFAOYSA-N 0 0 330.678 2.821 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCc2cc[nH]c(=O)c21 ZINC001586267635 1092717313 /nfs/dbraw/zinc/71/73/13/1092717313.db2.gz XQWFPMWRGLUAII-UHFFFAOYSA-N 0 0 343.339 2.687 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2nc(F)ccc21 ZINC001586267545 1092717395 /nfs/dbraw/zinc/71/73/95/1092717395.db2.gz TYIRRSMCZIAUJJ-UHFFFAOYSA-N 0 0 333.344 2.810 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ncc(-c2cccc(F)c2)s1 ZINC001586327435 1092723265 /nfs/dbraw/zinc/72/32/65/1092723265.db2.gz KMGMHLZBCFEIFE-UHFFFAOYSA-N 0 0 347.331 2.693 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Oc1cnn(-c2ccccc2)c1 ZINC001586329442 1092723920 /nfs/dbraw/zinc/72/39/20/1092723920.db2.gz BSRYZNJSRICENC-UHFFFAOYSA-N 0 0 339.307 2.765 10 5 EFBERN COCc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001586398621 1092731622 /nfs/dbraw/zinc/73/16/22/1092731622.db2.gz QHOINGZNCZPIPM-UHFFFAOYSA-N 0 0 335.747 2.971 10 5 EFBERN COc1cc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cnc1OC ZINC001586521584 1092741349 /nfs/dbraw/zinc/74/13/49/1092741349.db2.gz BVWYNDKLRZUWTL-UHFFFAOYSA-N 0 0 335.291 2.707 10 5 EFBERN Cc1ccc(NCCCNC(=O)c2ccc(F)cc2N)c([N+](=O)[O-])c1 ZINC001586525515 1092742247 /nfs/dbraw/zinc/74/22/47/1092742247.db2.gz SJUYZSAZNXSUNV-UHFFFAOYSA-N 0 0 346.362 2.857 10 5 EFBERN CCc1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)no1 ZINC001586540569 1092743298 /nfs/dbraw/zinc/74/32/98/1092743298.db2.gz SMIYPELUCRTTLS-UHFFFAOYSA-N 0 0 327.699 2.868 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc2ccccc2[nH]c1=O ZINC001586633075 1092748846 /nfs/dbraw/zinc/74/88/46/1092748846.db2.gz HOQJDENYYXBQMA-UHFFFAOYSA-N 0 0 337.335 2.708 10 5 EFBERN CCOCCO[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586719422 1092753974 /nfs/dbraw/zinc/75/39/74/1092753974.db2.gz CWTFWBJCNSHVOT-NSHDSACASA-N 0 0 333.344 2.523 10 5 EFBERN CNc1nc(C)cc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n1 ZINC001586719715 1092754780 /nfs/dbraw/zinc/75/47/80/1092754780.db2.gz GNYAHNOJYFDIQQ-UHFFFAOYSA-N 0 0 338.327 2.535 10 5 EFBERN Cc1noc([C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC001586722630 1092754854 /nfs/dbraw/zinc/75/48/54/1092754854.db2.gz YVIUCAIXSWVNDF-QLFBSQMISA-N 0 0 344.371 2.903 10 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/nfs/dbraw/zinc/78/34/52/1092783452.db2.gz KTENMFXOVCLCTN-UHFFFAOYSA-N 0 0 340.261 2.550 10 5 EFBERN CCc1coc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC001587125925 1092784293 /nfs/dbraw/zinc/78/42/93/1092784293.db2.gz QENITJQBKQXEOH-UHFFFAOYSA-N 0 0 327.300 2.583 10 5 EFBERN O=C(Nc1cccc2cc(Br)cnc21)[C@@H]1CC1[N+](=O)[O-] ZINC001587158505 1092787336 /nfs/dbraw/zinc/78/73/36/1092787336.db2.gz YVXNVNCESHGPRB-MWLCHTKSSA-N 0 0 336.145 2.601 10 5 EFBERN O=C(CC(F)(F)C(F)F)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587148759 1092787798 /nfs/dbraw/zinc/78/77/98/1092787798.db2.gz ZCFBDWFGWSIHHD-UHFFFAOYSA-N 0 0 326.158 2.699 10 5 EFBERN CC(C)OCCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001587206197 1092791496 /nfs/dbraw/zinc/79/14/96/1092791496.db2.gz ACJHIQBYHXHPAN-UHFFFAOYSA-N 0 0 331.372 2.875 10 5 EFBERN Cc1cc(C=O)c(O)c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001587238183 1092793966 /nfs/dbraw/zinc/79/39/66/1092793966.db2.gz IWJMNHUWHKVGBX-UHFFFAOYSA-N 0 0 326.308 2.577 10 5 EFBERN O=C(COCc1cc[nH]c(=O)c1)Nc1cccc([N+](=O)[O-])c1Cl ZINC001587268719 1092797517 /nfs/dbraw/zinc/79/75/17/1092797517.db2.gz MGNDRUGDMFUMJE-UHFFFAOYSA-N 0 0 337.719 2.504 10 5 EFBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(S(C)(=O)=O)c1 ZINC001587292691 1092798205 /nfs/dbraw/zinc/79/82/05/1092798205.db2.gz PIXBMNNYQPGQRZ-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc2ccccc2nc1Cl ZINC001587348804 1092804406 /nfs/dbraw/zinc/80/44/06/1092804406.db2.gz WWCBEWDIHKZVIB-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC001587348888 1092804537 /nfs/dbraw/zinc/80/45/37/1092804537.db2.gz YRGPCQFQFNUXHA-UHFFFAOYSA-N 0 0 330.275 2.980 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)COc1ccc(Cl)cc1Cl ZINC001587348027 1092804614 /nfs/dbraw/zinc/80/46/14/1092804614.db2.gz HZRUVSXUCMCLEW-UHFFFAOYSA-N 0 0 345.142 2.653 10 5 EFBERN Cc1ccc(C(F)(F)F)c(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC001587354847 1092806695 /nfs/dbraw/zinc/80/66/95/1092806695.db2.gz LAUCDFLXEHALOW-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587375569 1092807391 /nfs/dbraw/zinc/80/73/91/1092807391.db2.gz FNCUAPVYYDVZCE-PSLIRLAXSA-N 0 0 344.346 2.765 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCC2 ZINC001587449249 1092813572 /nfs/dbraw/zinc/81/35/72/1092813572.db2.gz GRYUAHUPGDDLNE-UHFFFAOYSA-N 0 0 328.324 2.937 10 5 EFBERN O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001587534356 1092819146 /nfs/dbraw/zinc/81/91/46/1092819146.db2.gz JAMXJCUNGPNQRR-OAHLLOKOSA-N 0 0 347.415 2.827 10 5 EFBERN O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001587534355 1092819564 /nfs/dbraw/zinc/81/95/64/1092819564.db2.gz JAMXJCUNGPNQRR-HNNXBMFYSA-N 0 0 347.415 2.827 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC001587572207 1092824376 /nfs/dbraw/zinc/82/43/76/1092824376.db2.gz JDOUAHQQUFGUOI-UHFFFAOYSA-N 0 0 341.367 2.816 10 5 EFBERN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587646615 1092836173 /nfs/dbraw/zinc/83/61/73/1092836173.db2.gz CHRKCXMIJZCOSN-TZMCWYRMSA-N 0 0 340.383 2.665 10 5 EFBERN CCc1n[nH]c(C(=O)NCC(CC)(CC)C(F)(F)F)c1[N+](=O)[O-] ZINC001587651538 1092837279 /nfs/dbraw/zinc/83/72/79/1092837279.db2.gz WYQSOZMVCUQBLL-UHFFFAOYSA-N 0 0 336.314 2.979 10 5 EFBERN CC[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1noc(C)n1 ZINC001587661032 1092839452 /nfs/dbraw/zinc/83/94/52/1092839452.db2.gz AZOAZHWZYMKOQY-NSHDSACASA-N 0 0 338.751 2.750 10 5 EFBERN Cc1ccc(NC(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)cc1[N+](=O)[O-] ZINC001587682655 1092839976 /nfs/dbraw/zinc/83/99/76/1092839976.db2.gz JZNFHTOTFFARHA-HNNXBMFYSA-N 0 0 343.339 2.626 10 5 EFBERN C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@@H]1C ZINC001587740423 1092846915 /nfs/dbraw/zinc/84/69/15/1092846915.db2.gz MIAHPOWLGWLDFB-VXGBXAGGSA-N 0 0 329.356 2.779 10 5 EFBERN Cn1cc(Cl)c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC001587753121 1092848754 /nfs/dbraw/zinc/84/87/54/1092848754.db2.gz BDMDEIKEHPPFEQ-UHFFFAOYSA-N 0 0 329.143 2.565 10 5 EFBERN COc1ccc(C[C@@H]2CCN2C(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC001587779455 1092852408 /nfs/dbraw/zinc/85/24/08/1092852408.db2.gz HYJUKWVUUIZTCD-ZDUSSCGKSA-N 0 0 341.367 2.643 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccnn1CC(F)F ZINC001587794996 1092853852 /nfs/dbraw/zinc/85/38/52/1092853852.db2.gz GWLVTMMPANIICD-UHFFFAOYSA-N 0 0 347.281 2.857 10 5 EFBERN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001587795411 1092853863 /nfs/dbraw/zinc/85/38/63/1092853863.db2.gz KYUAFOISNFNTBI-HNNXBMFYSA-N 0 0 344.371 2.632 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1cnn(C)c1 ZINC001587796219 1092854120 /nfs/dbraw/zinc/85/41/20/1092854120.db2.gz UQIUMCFMYKLKQP-JTQLQIEISA-N 0 0 325.328 2.619 10 5 EFBERN O=C(COCC(F)(F)F)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001587795055 1092854266 /nfs/dbraw/zinc/85/42/66/1092854266.db2.gz IPTCKQNJGJOLKI-UHFFFAOYSA-N 0 0 329.234 2.660 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccccc1F ZINC001587922512 1092869081 /nfs/dbraw/zinc/86/90/81/1092869081.db2.gz DJZMZPCVOVVTOU-OAHLLOKOSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)c2nc3ccccc3o2)n1 ZINC001587944898 1092871429 /nfs/dbraw/zinc/87/14/29/1092871429.db2.gz WGDYNSZRBQVZCF-SNVBAGLBSA-N 0 0 340.339 2.973 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2nc3ccccc3o2)C2CC2)n1 ZINC001587948877 1092871806 /nfs/dbraw/zinc/87/18/06/1092871806.db2.gz DRXSOOHAWNOHFO-UHFFFAOYSA-N 0 0 341.327 2.762 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1(CO)CCCCC1 ZINC001588106583 1092891336 /nfs/dbraw/zinc/89/13/36/1092891336.db2.gz MXCAMPNBHRVZEB-UHFFFAOYSA-N 0 0 340.807 2.850 10 5 EFBERN Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc(C)n1 ZINC001588117641 1092892809 /nfs/dbraw/zinc/89/28/09/1092892809.db2.gz QBXZCYNKCSOMFI-UHFFFAOYSA-N 0 0 338.270 2.855 10 5 EFBERN COC(=O)C12CCC(CC1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001588127565 1092894765 /nfs/dbraw/zinc/89/47/65/1092894765.db2.gz VLOWMTAIXZOGEA-UHFFFAOYSA-N 0 0 344.323 2.651 10 5 EFBERN O=C(Oc1cccc(-n2ccccc2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC001588138656 1092896558 /nfs/dbraw/zinc/89/65/58/1092896558.db2.gz NGMHCXKDZSVYQU-UHFFFAOYSA-N 0 0 336.303 2.965 10 5 EFBERN CC1(C)CCC[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001588151392 1092897827 /nfs/dbraw/zinc/89/78/27/1092897827.db2.gz IUHASMZKOLJUDY-CYBMUJFWSA-N 0 0 343.387 2.732 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001588159744 1092899500 /nfs/dbraw/zinc/89/95/00/1092899500.db2.gz AYESIQPLBKDOGB-UHFFFAOYSA-N 0 0 341.327 2.576 10 5 EFBERN O=C(Nc1ncnc2scc(-c3ccccc3)c21)[C@@H]1CC1[N+](=O)[O-] ZINC001588188214 1092900982 /nfs/dbraw/zinc/90/09/82/1092900982.db2.gz WOGRUNGEOFOJGF-ZYHUDNBSSA-N 0 0 340.364 2.962 10 5 EFBERN CN(Cc1ncccn1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001588221414 1092904431 /nfs/dbraw/zinc/90/44/31/1092904431.db2.gz MFBOFYQAWWMVAU-UHFFFAOYSA-N 0 0 328.353 2.872 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)n1 ZINC001588234208 1092906694 /nfs/dbraw/zinc/90/66/94/1092906694.db2.gz DSPBMPKBMOAJRD-ZFWWWQNUSA-N 0 0 343.383 2.583 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001588470176 1092949698 /nfs/dbraw/zinc/94/96/98/1092949698.db2.gz AXCLHEKFKFIEBF-GOEBONIOSA-N 0 0 329.331 2.932 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(C(F)F)c1 ZINC001125619758 1093029496 /nfs/dbraw/zinc/02/94/96/1093029496.db2.gz YCLMANMOSNNQMQ-UHFFFAOYSA-N 0 0 326.259 2.837 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc(O)ccc1Cl ZINC001589333631 1093074607 /nfs/dbraw/zinc/07/46/07/1093074607.db2.gz GEYINUCSEPVPJI-UHFFFAOYSA-N 0 0 338.722 2.952 10 5 EFBERN COc1ccc(C[C@@H]2CC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001167635572 1093169058 /nfs/dbraw/zinc/16/90/58/1093169058.db2.gz NDLLNUSIZKKDHB-LPHOPBHVSA-N 0 0 342.395 2.954 10 5 EFBERN Cc1cccc(F)c1C(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001267233675 1093303752 /nfs/dbraw/zinc/30/37/52/1093303752.db2.gz ROJRSOFDILEESR-UHFFFAOYSA-N 0 0 345.374 2.904 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(=O)OC ZINC000843616538 1093466890 /nfs/dbraw/zinc/46/68/90/1093466890.db2.gz ABUIIBZHONCRRZ-PELKAZGASA-N 0 0 344.314 2.581 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(=O)OC ZINC000843616540 1093467231 /nfs/dbraw/zinc/46/72/31/1093467231.db2.gz ABUIIBZHONCRRZ-PRHODGIISA-N 0 0 344.314 2.581 10 5 EFBERN CCOc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1OC ZINC001650708983 1093484984 /nfs/dbraw/zinc/48/49/84/1093484984.db2.gz CCPWWVOQEKFPJO-UHFFFAOYSA-N 0 0 331.328 2.845 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2ccn(-c3ccccc3)n2)c(F)c1 ZINC001650713477 1093486135 /nfs/dbraw/zinc/48/61/35/1093486135.db2.gz QECANMQXPZSSDX-UHFFFAOYSA-N 0 0 327.319 2.969 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@@H]3c3ncon3)c2c1 ZINC001650719188 1093486853 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CCc1cc(N[C@H](C)CC(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001651074963 1093523593 /nfs/dbraw/zinc/52/35/93/1093523593.db2.gz LRBLYCASHIIDDG-GFCCVEGCSA-N 0 0 344.415 2.998 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C2C(C)(C)C2(C)C)[nH]n1 ZINC001143452645 1093525230 /nfs/dbraw/zinc/52/52/30/1093525230.db2.gz POBHTHMEEHXINO-UHFFFAOYSA-N 0 0 346.391 2.611 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NC[C@@H](CO)c3ccc(F)cc3)c2c1 ZINC001651146727 1093531217 /nfs/dbraw/zinc/53/12/17/1093531217.db2.gz IAKXRDYFGIQWBR-LBPRGKRZSA-N 0 0 342.330 2.865 10 5 EFBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1O ZINC001651187279 1093536417 /nfs/dbraw/zinc/53/64/17/1093536417.db2.gz RMBFOGFMJQSEOT-WDEREUQCSA-N 0 0 330.344 2.771 10 5 EFBERN COc1nscc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001651233322 1093542447 /nfs/dbraw/zinc/54/24/47/1093542447.db2.gz LRCHPIHUFWNZAF-SSDOTTSWSA-N 0 0 325.321 2.941 10 5 EFBERN CC(=O)c1ccc(N2CCOc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC001651271357 1093547362 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COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1ccc(C)nc1Cl ZINC001596209844 1094519631 /nfs/dbraw/zinc/51/96/31/1094519631.db2.gz AMOKFSWDMMMGLP-UHFFFAOYSA-N 0 0 336.735 2.536 10 5 EFBERN CO[C@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001596242888 1094521246 /nfs/dbraw/zinc/52/12/46/1094521246.db2.gz YGRVSFPAXJSBQU-AWEZNQCLSA-N 0 0 341.367 2.908 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1N(C)C(=O)CO2 ZINC001596277697 1094523057 /nfs/dbraw/zinc/52/30/57/1094523057.db2.gz HFFLDGUYFGMLQG-UHFFFAOYSA-N 0 0 341.323 2.511 10 5 EFBERN Cn1cnc2cc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)ccc21 ZINC001596290873 1094524051 /nfs/dbraw/zinc/52/40/51/1094524051.db2.gz HEOHQNHJYQNYNC-UHFFFAOYSA-N 0 0 349.350 2.893 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCOCC(F)(F)F ZINC001596331769 1094526598 /nfs/dbraw/zinc/52/65/98/1094526598.db2.gz PZADNDHVHLFTOL-UHFFFAOYSA-N 0 0 338.257 2.741 10 5 EFBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1ccoc1 ZINC001596574480 1094537076 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CCn1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1=O ZINC001597745098 1094618802 /nfs/dbraw/zinc/61/88/02/1094618802.db2.gz GWMOZCXVQIIARI-UHFFFAOYSA-N 0 0 335.747 2.991 10 5 EFBERN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC001597872627 1094634168 /nfs/dbraw/zinc/63/41/68/1094634168.db2.gz LYKSPMYWZKYYSR-LLVKDONJSA-N 0 0 329.234 2.771 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1cn(C)c2ccccc12 ZINC001597920529 1094639693 /nfs/dbraw/zinc/63/96/93/1094639693.db2.gz XYFAPMRCWWARLT-UHFFFAOYSA-N 0 0 340.339 2.671 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001597919849 1094639840 /nfs/dbraw/zinc/63/98/40/1094639840.db2.gz QEZXOWLKORVBBN-DGCLKSJQSA-N 0 0 337.376 2.778 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1sc(CC2CC2)nc1C ZINC001597919844 1094640595 /nfs/dbraw/zinc/64/05/95/1094640595.db2.gz QBOWYAXZXQWAFH-UHFFFAOYSA-N 0 0 348.384 2.968 10 5 EFBERN CC[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1CC1(C)C ZINC001597967031 1094644772 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5 EFBERN O=C(NCc1ccn(-c2ccccc2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC001598362982 1094673026 /nfs/dbraw/zinc/67/30/26/1094673026.db2.gz UHZQWDHDFJRFQJ-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN C[C@@]1(c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)COC(=O)N1 ZINC001598412123 1094677269 /nfs/dbraw/zinc/67/72/69/1094677269.db2.gz TXZFAQJRRLDWTH-KRWDZBQOSA-N 0 0 341.323 2.802 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc2c(C)nccc12 ZINC001598460743 1094680176 /nfs/dbraw/zinc/68/01/76/1094680176.db2.gz BRALYKIUOLQUHW-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN Cc1oc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1CO ZINC001620990975 1094689467 /nfs/dbraw/zinc/68/94/67/1094689467.db2.gz KWODLQJTBORRIO-UHFFFAOYSA-N 0 0 332.356 2.741 10 5 EFBERN CCCN(CCNC(=O)c1cc(C)no1)Cc1ccccc1[N+](=O)[O-] ZINC001481130841 1094886924 /nfs/dbraw/zinc/88/69/24/1094886924.db2.gz TZRSYRYVIPUKDM-UHFFFAOYSA-N 0 0 346.387 2.533 10 5 EFBERN COc1cccc([C@H](OC)C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001126250481 1094946139 /nfs/dbraw/zinc/94/61/39/1094946139.db2.gz UBQTWLZRUXDUEW-INIZCTEOSA-N 0 0 330.340 2.607 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000785343859 1094970096 /nfs/dbraw/zinc/97/00/96/1094970096.db2.gz RENQAKSEJVIEOV-WOFXILAISA-N 0 0 330.793 2.633 10 5 EFBERN CC(C)[N@H+](CCCNC(=O)C(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001267495817 1094978367 /nfs/dbraw/zinc/97/83/67/1094978367.db2.gz YGHKUEPXHLINKE-UHFFFAOYSA-N 0 0 335.376 2.638 10 5 EFBERN COc1ccc(C(=O)N=[S@](C)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001626290173 1095101757 /nfs/dbraw/zinc/10/17/57/1095101757.db2.gz VSUQJNICPZZYHE-HSZRJFAPSA-N 0 0 334.353 2.901 10 5 EFBERN C/C(=C\C(=O)NC[C@@H](C)Cn1ccnc1C)c1ccc([N+](=O)[O-])cc1 ZINC000785364914 1095221033 /nfs/dbraw/zinc/22/10/33/1095221033.db2.gz UHEXYRIDFVGLOR-PCRWRXJSSA-N 0 0 342.399 2.956 10 5 EFBERN CCC(CC)(CC)NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001126294195 1095234541 /nfs/dbraw/zinc/23/45/41/1095234541.db2.gz DCLDEHMNJJPRIH-UHFFFAOYSA-N 0 0 345.403 2.933 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2coc(-c3ccccc3)n2)n1 ZINC001126297574 1095257390 /nfs/dbraw/zinc/25/73/90/1095257390.db2.gz BTEHXJKGBPEODK-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN Cc1cc(CCC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)no1 ZINC001125859144 1095269766 /nfs/dbraw/zinc/26/97/66/1095269766.db2.gz MLDFSABKRYBPQS-UHFFFAOYSA-N 0 0 341.327 2.648 10 5 EFBERN CC(=O)N[C@H](CC1CCC1)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000782657568 1095295322 /nfs/dbraw/zinc/29/53/22/1095295322.db2.gz DWFRYVORVBEINV-MEDUHNTESA-N 0 0 334.372 2.894 10 5 EFBERN O=C(CCc1ccsc1)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001267648940 1095312664 /nfs/dbraw/zinc/31/26/64/1095312664.db2.gz PLHYPHKBIRYKPE-UHFFFAOYSA-N 0 0 345.424 2.590 10 5 EFBERN CCOc1cc(COC(=O)c2nnn(C(C)C)c2C)ccc1[N+](=O)[O-] ZINC000796666143 1095343245 /nfs/dbraw/zinc/34/32/45/1095343245.db2.gz CKBNDHSUBXUMIQ-UHFFFAOYSA-N 0 0 348.359 2.831 10 5 EFBERN COC[C@H](CCNc1cccc(Br)c1[N+](=O)[O-])OC ZINC000694315780 1095354535 /nfs/dbraw/zinc/35/45/35/1095354535.db2.gz NCRWPXQAEVEVOK-VIFPVBQESA-N 0 0 333.182 2.821 10 5 EFBERN CC1(C)CC[C@H](C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)O1 ZINC000785251014 1095755478 /nfs/dbraw/zinc/75/54/78/1095755478.db2.gz XAWJKKPQGYNBTD-GFCCVEGCSA-N 0 0 347.327 2.646 10 5 EFBERN C=C/C(C)=C/CC(=O)NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001481640312 1096103560 /nfs/dbraw/zinc/10/35/60/1096103560.db2.gz GQUXIQDGGZHTRH-LNKIKWGQSA-N 0 0 329.400 2.665 10 5 EFBERN CC/C(C)=C/C(=O)N(C)CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001268236611 1096149553 /nfs/dbraw/zinc/14/95/53/1096149553.db2.gz ZXFWZRHODDOCDO-XYOKQWHBSA-N 0 0 325.434 2.903 10 5 EFBERN CN(CCN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccccc1[N+](=O)[O-] ZINC001268247722 1096177038 /nfs/dbraw/zinc/17/70/38/1096177038.db2.gz OUNZZSJGVWPTQO-ZSHCYNCHSA-N 0 0 331.416 2.531 10 5 EFBERN Cc1ccc(NC(=O)CN(C)c2ccc(Cl)cn2)c(N)c1[N+](=O)[O-] ZINC001603053049 1096426934 /nfs/dbraw/zinc/42/69/34/1096426934.db2.gz RFAJHCUGBUVCSL-UHFFFAOYSA-N 0 0 349.778 2.609 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC/C=C\Cl ZINC001603376745 1096517378 /nfs/dbraw/zinc/51/73/78/1096517378.db2.gz HHCLUUAOAWCDPD-RJRFIUFISA-N 0 0 333.569 2.769 10 5 EFBERN C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000024041629 1096604444 /nfs/dbraw/zinc/60/44/44/1096604444.db2.gz FGCGFHWHBNOEIB-NSHDSACASA-N 0 0 347.396 2.654 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000843699982 1096619096 /nfs/dbraw/zinc/61/90/96/1096619096.db2.gz VPKBGNNRVDTERE-BJHJDKERSA-N 0 0 335.404 2.737 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1SC ZINC000843711048 1096634804 /nfs/dbraw/zinc/63/48/04/1096634804.db2.gz ONTPKBNFLCDTEP-RTXFEEFZSA-N 0 0 344.820 2.887 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000843710971 1096634859 /nfs/dbraw/zinc/63/48/59/1096634859.db2.gz ATUHPDMLRISESK-CYMGCJPGSA-N 0 0 336.413 2.633 10 5 EFBERN Cc1noc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1C ZINC001126358974 1096839298 /nfs/dbraw/zinc/83/92/98/1096839298.db2.gz PHDXFFGVRCVYHB-UHFFFAOYSA-N 0 0 327.300 2.638 10 5 EFBERN O=C(CC[C@@H]1CCCO1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000585128650 1096902384 /nfs/dbraw/zinc/90/23/84/1096902384.db2.gz JMWNQTKESTUPKL-JTQLQIEISA-N 0 0 330.743 2.963 10 5 EFBERN O=C(CC[C@H]1CCCO1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000585128651 1096902391 /nfs/dbraw/zinc/90/23/91/1096902391.db2.gz JMWNQTKESTUPKL-SNVBAGLBSA-N 0 0 330.743 2.963 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001606730286 1097448202 /nfs/dbraw/zinc/44/82/02/1097448202.db2.gz NPXJEVLYDDGPMG-CORIIIEPSA-N 0 0 326.356 2.903 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1cc(F)ccc1F ZINC001607445212 1097630075 /nfs/dbraw/zinc/63/00/75/1097630075.db2.gz ZFZDQBNJJMBMHR-ICFOYXHFSA-N 0 0 348.305 2.736 10 5 EFBERN Cc1cc(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001607512544 1097647943 /nfs/dbraw/zinc/64/79/43/1097647943.db2.gz SCDSMSXFESIGOA-ZQIUZPCESA-N 0 0 349.431 2.976 10 5 EFBERN CCOC(=O)C1(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)CCC1 ZINC001268850085 1097683697 /nfs/dbraw/zinc/68/36/97/1097683697.db2.gz SGZVUBASZKAXIE-UHFFFAOYSA-N 0 0 343.339 2.815 10 5 EFBERN CCCC1(C(=O)NCC2CN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001268874387 1097694629 /nfs/dbraw/zinc/69/46/29/1097694629.db2.gz MTTVOUPGHMHBMB-UHFFFAOYSA-N 0 0 331.416 2.723 10 5 EFBERN O=C(NCC1(NCc2csc([N+](=O)[O-])c2)CC1)c1ccsc1 ZINC001269369116 1098090565 /nfs/dbraw/zinc/09/05/65/1098090565.db2.gz XABFMVLBZZNMAZ-UHFFFAOYSA-N 0 0 337.426 2.770 10 5 EFBERN Cc1cnc(COC(=O)c2ncnc3ccsc32)c(C)c1[N+](=O)[O-] ZINC001269436432 1098136785 /nfs/dbraw/zinc/13/67/85/1098136785.db2.gz LYMAEZBAZOFELE-UHFFFAOYSA-N 0 0 344.352 2.968 10 5 EFBERN O=C(c1ccc(OC(F)F)nc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126430092 1098497482 /nfs/dbraw/zinc/49/74/82/1098497482.db2.gz IBEKIEBHKHBFIU-UHFFFAOYSA-N 0 0 335.266 2.794 10 5 EFBERN CCc1c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cnn1CC(C)C ZINC001610064978 1098536332 /nfs/dbraw/zinc/53/63/32/1098536332.db2.gz BEXUSEISGDDGTK-UHFFFAOYSA-N 0 0 340.771 2.639 10 5 EFBERN Cc1nc2ccc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)cn2n1 ZINC001270228035 1098829798 /nfs/dbraw/zinc/82/97/98/1098829798.db2.gz GEQKQYDWZMDRQK-UHFFFAOYSA-N 0 0 325.328 2.815 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001126456398 1098850072 /nfs/dbraw/zinc/85/00/72/1098850072.db2.gz DSBSNMKWHFBXPK-SNVBAGLBSA-N 0 0 348.378 2.754 10 5 EFBERN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001610969606 1098967400 /nfs/dbraw/zinc/96/74/00/1098967400.db2.gz HLBILKUXQACMIG-MEDUHNTESA-N 0 0 345.330 2.731 10 5 EFBERN O=C(N[C@H](c1ccccn1)C1CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001611002909 1098969722 /nfs/dbraw/zinc/96/97/22/1098969722.db2.gz KGCLRHUNUBBJEC-INIZCTEOSA-N 0 0 341.323 2.600 10 5 EFBERN C[C@H](NC(=O)c1cc(C(F)(F)F)ncn1)c1ccccc1[N+](=O)[O-] ZINC001611091345 1098979467 /nfs/dbraw/zinc/97/94/67/1098979467.db2.gz YCHQFASKUMPKAL-QMMMGPOBSA-N 0 0 340.261 2.895 10 5 EFBERN C[C@@H](C(=O)N1CCOc2ncccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC001611112673 1098980250 /nfs/dbraw/zinc/98/02/50/1098980250.db2.gz HZWIAAGKAJTRSF-LLVKDONJSA-N 0 0 345.330 2.654 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H]1CO ZINC001611265540 1098995198 /nfs/dbraw/zinc/99/51/98/1098995198.db2.gz MVIKEIGGMISXDB-CYBMUJFWSA-N 0 0 344.392 2.953 10 5 EFBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)ccc1Cl ZINC001611284098 1098996534 /nfs/dbraw/zinc/99/65/34/1098996534.db2.gz LYMXTMIVGCKCCS-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN NC(=O)c1cc(NC(=O)C2(C(F)(F)F)CCCC2)ccc1[N+](=O)[O-] ZINC001611290091 1098998183 /nfs/dbraw/zinc/99/81/83/1098998183.db2.gz LRCBJMRLWIZGFJ-UHFFFAOYSA-N 0 0 345.277 2.755 10 5 EFBERN COC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001611295409 1098998210 /nfs/dbraw/zinc/99/82/10/1098998210.db2.gz JGPLUPYQMOUCDG-CYBMUJFWSA-N 0 0 340.335 2.587 10 5 EFBERN C[C@@H](C(=O)NC[Si](C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001611346101 1099002264 /nfs/dbraw/zinc/00/22/64/1099002264.db2.gz BIVHOEOCTNMTAV-CQSZACIVSA-N 0 0 342.471 2.969 10 5 EFBERN Cc1c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001611377085 1099005559 /nfs/dbraw/zinc/00/55/59/1099005559.db2.gz WINFKSDJPGEHMW-GFCCVEGCSA-N 0 0 349.387 2.642 10 5 EFBERN Cc1c(Br)cc(C(=O)N(C)c2ccon2)cc1[N+](=O)[O-] ZINC001611466408 1099013747 /nfs/dbraw/zinc/01/37/47/1099013747.db2.gz HLLBLPPSZOEQON-UHFFFAOYSA-N 0 0 340.133 2.930 10 5 EFBERN Cc1noc(C[C@H]2CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC001611479361 1099015482 /nfs/dbraw/zinc/01/54/82/1099015482.db2.gz SMSJMDQSHXJBFE-LLVKDONJSA-N 0 0 348.334 2.520 10 5 EFBERN O=c1[nH]ccc(NCCc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC001611742028 1099030270 /nfs/dbraw/zinc/03/02/70/1099030270.db2.gz ORUQSWGQCPPRDY-UHFFFAOYSA-N 0 0 325.271 2.951 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@H](O)c1ccco1 ZINC001611786044 1099034424 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CC(=O)c1cccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001629986308 1100266035 /nfs/dbraw/zinc/26/60/35/1100266035.db2.gz CBJRTUWTNYCIDX-UHFFFAOYSA-N 0 0 341.367 2.839 10 5 EFBERN O=C(NC[C@H](O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1F ZINC001630109415 1100275967 /nfs/dbraw/zinc/27/59/67/1100275967.db2.gz IKMLVWWUMOVUCL-AWEZNQCLSA-N 0 0 338.722 2.851 10 5 EFBERN O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001630113434 1100276619 /nfs/dbraw/zinc/27/66/19/1100276619.db2.gz OHGPOAOAHPFKRY-LBPRGKRZSA-N 0 0 344.154 2.693 10 5 EFBERN O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001630113433 1100276727 /nfs/dbraw/zinc/27/67/27/1100276727.db2.gz OHGPOAOAHPFKRY-GFCCVEGCSA-N 0 0 344.154 2.693 10 5 EFBERN O=C(N[C@@H]1COc2c1cccc2Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630122700 1100277640 /nfs/dbraw/zinc/27/76/40/1100277640.db2.gz HCUWNPBGCBKSOW-ZIAGYGMSSA-N 0 0 348.742 2.532 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@@H](c2ccsc2)O1 ZINC001630238025 1100286510 /nfs/dbraw/zinc/28/65/10/1100286510.db2.gz ARZLPAZVJMXFSQ-BMIGLBTASA-N 0 0 347.396 2.841 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)n1 ZINC001630327104 1100295314 /nfs/dbraw/zinc/29/53/14/1100295314.db2.gz ZYWUWMXSHQQNBA-NSHDSACASA-N 0 0 329.356 2.755 10 5 EFBERN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001630354070 1100297797 /nfs/dbraw/zinc/29/77/97/1100297797.db2.gz MXOIMEATRXILCZ-VIFPVBQESA-N 0 0 349.774 2.897 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC001630386563 1100301932 /nfs/dbraw/zinc/30/19/32/1100301932.db2.gz FUNXSHFWOFINCT-SECBINFHSA-N 0 0 331.294 2.982 10 5 EFBERN CN(C[C@@](C)(O)c1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001630487484 1100310369 /nfs/dbraw/zinc/31/03/69/1100310369.db2.gz XFEJLPCOEZGHJG-YFPIXMDGSA-N 0 0 340.379 2.974 10 5 EFBERN COc1cncc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001630565914 1100318126 /nfs/dbraw/zinc/31/81/26/1100318126.db2.gz KGSSAZDLCZHDQK-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN CC(C)(CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)n1ccnc1 ZINC001630604119 1100321178 /nfs/dbraw/zinc/32/11/78/1100321178.db2.gz ZYUVZKZOFKMYHB-UHFFFAOYSA-N 0 0 336.779 2.539 10 5 EFBERN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Oc1cccc(F)c1 ZINC001630618415 1100323123 /nfs/dbraw/zinc/32/31/23/1100323123.db2.gz YGRSXPBOHPBWJC-ZDUSSCGKSA-N 0 0 347.346 2.904 10 5 EFBERN CC(=O)N[C@](C)(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC001126532091 1100330453 /nfs/dbraw/zinc/33/04/53/1100330453.db2.gz IJKJKYAIUNBWDZ-PXAZEXFGSA-N 0 0 335.404 2.631 10 5 EFBERN COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1C ZINC001630770208 1100337837 /nfs/dbraw/zinc/33/78/37/1100337837.db2.gz XDYMPIHUTKJYPH-UHFFFAOYSA-N 0 0 335.341 2.586 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cnn2ccccc12 ZINC001630778443 1100339141 /nfs/dbraw/zinc/33/91/41/1100339141.db2.gz IYGGXMBSRWDJCV-UHFFFAOYSA-N 0 0 338.323 2.844 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC(=O)c2ccccc21 ZINC001631094574 1100368881 /nfs/dbraw/zinc/36/88/81/1100368881.db2.gz WSYLGDWFYFKSQP-GFCCVEGCSA-N 0 0 346.289 2.859 10 5 EFBERN O=C(COc1ccsn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001631132345 1100373100 /nfs/dbraw/zinc/37/31/00/1100373100.db2.gz DMJVIZYPWKPZTE-UHFFFAOYSA-N 0 0 333.369 2.621 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1cn2ccsc2n1 ZINC001631161521 1100376853 /nfs/dbraw/zinc/37/68/53/1100376853.db2.gz XJNDPWNLPJSKDY-UHFFFAOYSA-N 0 0 330.369 2.851 10 5 EFBERN Cc1ccc(C)c(C(=O)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC001631242050 1100382353 /nfs/dbraw/zinc/38/23/53/1100382353.db2.gz ACNARBWHDJWTQU-UHFFFAOYSA-N 0 0 327.340 2.528 10 5 EFBERN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cnccn1 ZINC001631259044 1100383135 /nfs/dbraw/zinc/38/31/35/1100383135.db2.gz RAPVMRQEEXRBAQ-LBPRGKRZSA-N 0 0 349.350 2.938 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1c(F)cccc1NC(C)C ZINC001631399768 1100395102 /nfs/dbraw/zinc/39/51/02/1100395102.db2.gz JRGCPXRLEIARLQ-UHFFFAOYSA-N 0 0 335.339 2.698 10 5 EFBERN O=C(NCC=C(Cl)Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001631411986 1100396606 /nfs/dbraw/zinc/39/66/06/1100396606.db2.gz WFASIUVCJMBPPP-UHFFFAOYSA-N 0 0 341.154 2.829 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C)c(F)cc1N ZINC001631424583 1100398052 /nfs/dbraw/zinc/39/80/52/1100398052.db2.gz SCTJXISTFMMGSW-UHFFFAOYSA-N 0 0 333.319 2.563 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(C)C)[nH]c1=O ZINC001631423881 1100398255 /nfs/dbraw/zinc/39/82/55/1100398255.db2.gz ITMRJZBZNQIWEX-UHFFFAOYSA-N 0 0 345.355 2.757 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC001631435991 1100399646 /nfs/dbraw/zinc/39/96/46/1100399646.db2.gz CAFCGJABARDZME-UHFFFAOYSA-N 0 0 344.371 2.616 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001631493918 1100403646 /nfs/dbraw/zinc/40/36/46/1100403646.db2.gz UEIYWZUHHIQOJO-QZKOUSHUSA-N 0 0 336.413 2.759 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001631493915 1100403728 /nfs/dbraw/zinc/40/37/28/1100403728.db2.gz UEIYWZUHHIQOJO-CJYSPXJISA-N 0 0 336.413 2.759 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCc1cscn1 ZINC001631620483 1100413197 /nfs/dbraw/zinc/41/31/97/1100413197.db2.gz UNNZSVGIESZHLO-UHFFFAOYSA-N 0 0 325.777 2.606 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CCO)c1ccccc1 ZINC001631657756 1100417232 /nfs/dbraw/zinc/41/72/32/1100417232.db2.gz URECECGNCGSJTJ-OAHLLOKOSA-N 0 0 332.331 2.516 10 5 EFBERN Nc1c(C(=O)N[C@H]2CC[C@@H](CO)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001631667580 1100417996 /nfs/dbraw/zinc/41/79/96/1100417996.db2.gz UKIARJPZIDVSBF-BJHJDKERSA-N 0 0 343.383 2.611 10 5 EFBERN CO[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001631692761 1100420315 /nfs/dbraw/zinc/42/03/15/1100420315.db2.gz RKSUZBOKEDOTDW-RISCZKNCSA-N 0 0 326.780 2.722 10 5 EFBERN C[C@H](c1ccccc1)N(CCO)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001631735046 1100423515 /nfs/dbraw/zinc/42/35/15/1100423515.db2.gz WXELFJFWBAAJBO-CYBMUJFWSA-N 0 0 346.358 2.859 10 5 EFBERN Cc1ocnc1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001631889508 1100436962 /nfs/dbraw/zinc/43/69/62/1100436962.db2.gz HLDMEBPDXMVYPU-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149321702 1100443366 /nfs/dbraw/zinc/44/33/66/1100443366.db2.gz QCLBFQUYOIEXPH-JGVFFNPUSA-N 0 0 332.813 2.765 10 5 EFBERN O=C(Nc1cnn(Cc2ccncc2)c1)c1cc([N+](=O)[O-])ccc1F ZINC001632004474 1100447542 /nfs/dbraw/zinc/44/75/42/1100447542.db2.gz RLRNASVFMUFQLB-UHFFFAOYSA-N 0 0 341.302 2.626 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1CCSCC1 ZINC001632066119 1100451291 /nfs/dbraw/zinc/45/12/91/1100451291.db2.gz GDFRJIVMGNOTKH-UHFFFAOYSA-N 0 0 347.396 2.534 10 5 EFBERN C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC001632103376 1100453253 /nfs/dbraw/zinc/45/32/53/1100453253.db2.gz CMYFSEVTYIQIHR-SSDOTTSWSA-N 0 0 339.149 2.571 10 5 EFBERN CCCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001632129587 1100455884 /nfs/dbraw/zinc/45/58/84/1100455884.db2.gz ZUBBIVZUPINAHN-UHFFFAOYSA-N 0 0 343.383 2.938 10 5 EFBERN CC[C@](C)(CCO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001632169080 1100457436 /nfs/dbraw/zinc/45/74/36/1100457436.db2.gz KKZPHSNOBZFNGD-QGZVFWFLSA-N 0 0 331.372 2.611 10 5 EFBERN CCOc1ccc(N(CC2CC2)C(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC001632194537 1100458838 /nfs/dbraw/zinc/45/88/38/1100458838.db2.gz LTBPQYPPFWAVDJ-UHFFFAOYSA-N 0 0 330.344 2.773 10 5 EFBERN O=C(NCc1ccc(OC(F)F)cc1F)c1cc([N+](=O)[O-])c[nH]1 ZINC001632224737 1100460452 /nfs/dbraw/zinc/46/04/52/1100460452.db2.gz IOCCNOPBQCMTCH-UHFFFAOYSA-N 0 0 329.234 2.593 10 5 EFBERN C[C@@H]1CCc2[nH]nc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC001632260906 1100462629 /nfs/dbraw/zinc/46/26/29/1100462629.db2.gz XLGCFBRKCSLIKR-MRVPVSSYSA-N 0 0 340.343 2.571 10 5 EFBERN Cc1cc(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]n1 ZINC001632308713 1100465980 /nfs/dbraw/zinc/46/59/80/1100465980.db2.gz MTXHDVBMWGTKSS-UHFFFAOYSA-N 0 0 328.372 2.750 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c(N)c([N+](=O)[O-])c1 ZINC000729534124 1100467350 /nfs/dbraw/zinc/46/73/50/1100467350.db2.gz YZPGXMUOIULAHQ-CQSZACIVSA-N 0 0 341.367 2.966 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2c(O)cccc2F)cc1[N+](=O)[O-] ZINC001632377878 1100469192 /nfs/dbraw/zinc/46/91/92/1100469192.db2.gz AIHPHPMVMAAEHF-UHFFFAOYSA-N 0 0 337.282 2.897 10 5 EFBERN CCC[C@H](Cc1ccccc1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001632406097 1100472627 /nfs/dbraw/zinc/47/26/27/1100472627.db2.gz PQFSJPDNXIOLOO-CQSZACIVSA-N 0 0 328.372 2.713 10 5 EFBERN COc1ccccc1[C@@H](C)N(OC)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001632412350 1100473086 /nfs/dbraw/zinc/47/30/86/1100473086.db2.gz HNFTWWSRZCNKAI-LLVKDONJSA-N 0 0 345.355 2.950 10 5 EFBERN O=C(Nc1cccc2c1OCC[C@H]2O)c1c(F)cccc1[N+](=O)[O-] ZINC001632501427 1100478246 /nfs/dbraw/zinc/47/82/46/1100478246.db2.gz CGVZGAWBBNSEON-CYBMUJFWSA-N 0 0 332.287 2.802 10 5 EFBERN C[C@@]1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC001632738307 1100497340 /nfs/dbraw/zinc/49/73/40/1100497340.db2.gz VQZLEXODRWNPQE-UKRRQHHQSA-N 0 0 339.779 2.518 10 5 EFBERN Nc1c(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001632953827 1100510333 /nfs/dbraw/zinc/51/03/33/1100510333.db2.gz SUJTZSJUIKFULI-OAHLLOKOSA-N 0 0 345.330 2.530 10 5 EFBERN CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)c1ccccc1 ZINC001632974278 1100511449 /nfs/dbraw/zinc/51/14/49/1100511449.db2.gz ZJSSDIPRCYVRSJ-ZDUSSCGKSA-N 0 0 345.330 2.707 10 5 EFBERN O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC1CCCCC1 ZINC001632977198 1100511658 /nfs/dbraw/zinc/51/16/58/1100511658.db2.gz DZVTYSKAIOGFFQ-UHFFFAOYSA-N 0 0 349.343 2.772 10 5 EFBERN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633055116 1100518888 /nfs/dbraw/zinc/51/88/88/1100518888.db2.gz JBPSVVYBDXNBFA-VIFPVBQESA-N 0 0 347.749 2.565 10 5 EFBERN CC[C@H](NC(=O)[C@H](O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC001633059746 1100519205 /nfs/dbraw/zinc/51/92/05/1100519205.db2.gz YAZFLAVEWUPBAL-DOTOQJQBSA-N 0 0 344.367 2.904 10 5 EFBERN Cn1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)c2ccccc21 ZINC001633105504 1100523741 /nfs/dbraw/zinc/52/37/41/1100523741.db2.gz DLJBBDZYKZTZON-UHFFFAOYSA-N 0 0 338.367 2.641 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC001633225335 1100529078 /nfs/dbraw/zinc/52/90/78/1100529078.db2.gz FMGOXNYHHGZGOA-JTQLQIEISA-N 0 0 325.296 2.633 10 5 EFBERN CSCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001633276746 1100532542 /nfs/dbraw/zinc/53/25/42/1100532542.db2.gz PEVBFSVOAOORHX-UHFFFAOYSA-N 0 0 331.397 2.970 10 5 EFBERN O=Cc1ccc(C=CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001633374797 1100538871 /nfs/dbraw/zinc/53/88/71/1100538871.db2.gz HDKBBQLSHHRADD-VMPITWQZSA-N 0 0 336.307 2.936 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@]12CCO[C@H]1CCCC2 ZINC001633374817 1100539361 /nfs/dbraw/zinc/53/93/61/1100539361.db2.gz HUJBYUVNAQYETC-BBRMVZONSA-N 0 0 330.344 2.759 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cn(-c2ccccc2)cn1 ZINC001633375399 1100539758 /nfs/dbraw/zinc/53/97/58/1100539758.db2.gz WRQDUARUINHNAG-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CCC(C)(C)[C@@H](O)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001633462015 1100543620 /nfs/dbraw/zinc/54/36/20/1100543620.db2.gz BDMZTMSTRRFANW-AWEZNQCLSA-N 0 0 332.360 2.721 10 5 EFBERN COc1ccc2[nH]c([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])o3)nc2c1 ZINC001633532251 1100548284 /nfs/dbraw/zinc/54/82/84/1100548284.db2.gz JMCOBUFEBJDGMM-MRVPVSSYSA-N 0 0 330.300 2.564 10 5 EFBERN COc1ccc2[nH]c([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC001633533483 1100548827 /nfs/dbraw/zinc/54/88/27/1100548827.db2.gz XJNCPCSZJYIUDA-JTQLQIEISA-N 0 0 340.339 2.971 10 5 EFBERN CC1(C)CC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)O1 ZINC001633607712 1100554033 /nfs/dbraw/zinc/55/40/33/1100554033.db2.gz JHETYHPSSICJNH-ZETCQYMHSA-N 0 0 345.758 2.657 10 5 EFBERN CCc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)CCO2 ZINC001633639360 1100555389 /nfs/dbraw/zinc/55/53/89/1100555389.db2.gz XRMJTVHKSBSNNC-MRXNPFEDSA-N 0 0 341.367 2.993 10 5 EFBERN Cc1ccccc1N(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001633713040 1100560310 /nfs/dbraw/zinc/56/03/10/1100560310.db2.gz JJAGHLUOLHIIHV-UHFFFAOYSA-N 0 0 342.355 2.688 10 5 EFBERN Cc1ccc(F)c(N)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001633730455 1100562210 /nfs/dbraw/zinc/56/22/10/1100562210.db2.gz YKZNRIMCMGFLJG-UHFFFAOYSA-N 0 0 331.347 2.939 10 5 EFBERN O=C(Cc1ccc(-n2ccnc2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC001633761712 1100564235 /nfs/dbraw/zinc/56/42/35/1100564235.db2.gz RAOAQWJLBHPRQB-UHFFFAOYSA-N 0 0 336.351 2.639 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc(CCCO)c1 ZINC001633796996 1100566797 /nfs/dbraw/zinc/56/67/97/1100566797.db2.gz JVZVNDYDIYZANV-UHFFFAOYSA-N 0 0 332.331 2.840 10 5 EFBERN CC[C@H](C)c1ncc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cn1 ZINC001633918618 1100574831 /nfs/dbraw/zinc/57/48/31/1100574831.db2.gz QGVKGURTONVOMH-QMMMGPOBSA-N 0 0 333.323 2.872 10 5 EFBERN O=C(CCc1ncc[nH]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001633932081 1100575446 /nfs/dbraw/zinc/57/54/46/1100575446.db2.gz MAEVZVIIDNAAHY-OAHLLOKOSA-N 0 0 332.385 2.525 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001633983089 1100577953 /nfs/dbraw/zinc/57/79/53/1100577953.db2.gz HVYRDNHIJVIYII-JTQLQIEISA-N 0 0 346.774 2.855 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC001634061484 1100581746 /nfs/dbraw/zinc/58/17/46/1100581746.db2.gz NURVMAKGGUDANX-LBPRGKRZSA-N 0 0 342.351 2.596 10 5 EFBERN COc1c(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)cccc1[N+](=O)[O-] ZINC001634072619 1100582866 /nfs/dbraw/zinc/58/28/66/1100582866.db2.gz VQNLXMAHJJCINX-AWEZNQCLSA-N 0 0 346.343 2.751 10 5 EFBERN O=C(Nc1nc2ccsc2s1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001634087969 1100583638 /nfs/dbraw/zinc/58/36/38/1100583638.db2.gz YQOAEDXKTPPPEJ-SNVBAGLBSA-N 0 0 335.366 2.938 10 5 EFBERN Cc1cnccc1/C=C/C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001634130245 1100586642 /nfs/dbraw/zinc/58/66/42/1100586642.db2.gz XQAIGTKGWYGMSA-FARCUNLSSA-N 0 0 339.351 2.601 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2c(C)nc3ccc(Cl)cn32)c1[N+](=O)[O-] ZINC001634138969 1100587189 /nfs/dbraw/zinc/58/71/89/1100587189.db2.gz UKCZROQEDOYCSJ-UHFFFAOYSA-N 0 0 348.750 2.742 10 5 EFBERN CC(C)[C@H]1C[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC001634186770 1100589043 /nfs/dbraw/zinc/58/90/43/1100589043.db2.gz HOKNUHQHWGZGMB-IAQYHMDHSA-N 0 0 346.387 2.539 10 5 EFBERN CCOCCCCCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634187223 1100590113 /nfs/dbraw/zinc/59/01/13/1100590113.db2.gz SVPVEXDNJZDPAP-UHFFFAOYSA-N 0 0 334.376 2.684 10 5 EFBERN O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001634198776 1100590518 /nfs/dbraw/zinc/59/05/18/1100590518.db2.gz MHMMZRWQNQOQKB-OAHLLOKOSA-N 0 0 347.415 2.827 10 5 EFBERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001634396005 1100605601 /nfs/dbraw/zinc/60/56/01/1100605601.db2.gz ITCIJHFCDKXQGM-CHWSQXEVSA-N 0 0 341.367 2.591 10 5 EFBERN CC[C@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC001634540662 1100614861 /nfs/dbraw/zinc/61/48/61/1100614861.db2.gz AXGCWOBHPYYEBI-QGZVFWFLSA-N 0 0 342.399 2.832 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)c(N)c([N+](=O)[O-])c1 ZINC001634545532 1100615159 /nfs/dbraw/zinc/61/51/59/1100615159.db2.gz PVTWMVKSPGHSIQ-BLLLJJGKSA-N 0 0 345.330 2.687 10 5 EFBERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001634604281 1100618041 /nfs/dbraw/zinc/61/80/41/1100618041.db2.gz OEDKWPLYQKFVTC-LURJTMIESA-N 0 0 328.687 2.516 10 5 EFBERN CC(C)COC1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001634651763 1100622245 /nfs/dbraw/zinc/62/22/45/1100622245.db2.gz UQFLZNSCLJTTEI-UHFFFAOYSA-N 0 0 335.404 2.670 10 5 EFBERN C[C@]1(O)CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001634684238 1100624131 /nfs/dbraw/zinc/62/41/31/1100624131.db2.gz RDZYTHZDEPJCMA-HNNXBMFYSA-N 0 0 326.780 2.554 10 5 EFBERN COC(=O)N1CC(C)(NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001634846322 1100632178 /nfs/dbraw/zinc/63/21/78/1100632178.db2.gz JQTABMHTEJXQEJ-UHFFFAOYSA-N 0 0 349.390 2.959 10 5 EFBERN CN(CCc1ccc2c(c1)OCO2)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001634921285 1100635470 /nfs/dbraw/zinc/63/54/70/1100635470.db2.gz RLCZPROOCZIDPO-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001634923970 1100635667 /nfs/dbraw/zinc/63/56/67/1100635667.db2.gz RRAQTKHIRBUQSG-UHFFFAOYSA-N 0 0 331.759 2.958 10 5 EFBERN CON(CC(C)(C)C)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001634939069 1100636339 /nfs/dbraw/zinc/63/63/39/1100636339.db2.gz JJPPZQJKBGFGCQ-UHFFFAOYSA-N 0 0 346.387 2.889 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1Cc2ccncc2C1 ZINC001634948700 1100637305 /nfs/dbraw/zinc/63/73/05/1100637305.db2.gz SVOJQWDMPCXPBM-UHFFFAOYSA-N 0 0 348.156 2.908 10 5 EFBERN Cc1ncccc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001635043306 1100641294 /nfs/dbraw/zinc/64/12/94/1100641294.db2.gz OKGKDNFTQJRDMU-UHFFFAOYSA-N 0 0 337.738 2.950 10 5 EFBERN O=C(NCc1c[nH]c(=O)c2ccccc12)c1ccc([N+](=O)[O-])s1 ZINC001635064405 1100643029 /nfs/dbraw/zinc/64/30/29/1100643029.db2.gz DIISHQHANTZOLV-UHFFFAOYSA-N 0 0 329.337 2.840 10 5 EFBERN CC(C)[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001635100054 1100643358 /nfs/dbraw/zinc/64/33/58/1100643358.db2.gz KQQCRVBQPHYKBX-AWEZNQCLSA-N 0 0 332.335 2.838 10 5 EFBERN CC[C@H](CN1CCOCC1)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001635159723 1100646199 /nfs/dbraw/zinc/64/61/99/1100646199.db2.gz BRMHXTGUOPXBCA-OAHLLOKOSA-N 0 0 349.431 2.559 10 5 EFBERN Nc1ncc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001635194265 1100648642 /nfs/dbraw/zinc/64/86/42/1100648642.db2.gz OYWBRXIMXOVZJD-SCZZXKLOSA-N 0 0 346.309 2.671 10 5 EFBERN CSc1ccc([C@H](C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001635228988 1100650205 /nfs/dbraw/zinc/65/02/05/1100650205.db2.gz VETFOCCNWJCBEY-VIFPVBQESA-N 0 0 332.385 2.785 10 5 EFBERN C[C@@H](CNC(=O)NCC(C)(C)C(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC001635266881 1100652258 /nfs/dbraw/zinc/65/22/58/1100652258.db2.gz QUKQZPZPOJONNZ-LBPRGKRZSA-N 0 0 337.420 2.795 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1C ZINC001635269188 1100652532 /nfs/dbraw/zinc/65/25/32/1100652532.db2.gz IVVDBEOGYDVRBW-UHFFFAOYSA-N 0 0 329.312 2.524 10 5 EFBERN CN(C(=O)C(C)(C)C(F)F)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001671168258 1100663264 /nfs/dbraw/zinc/66/32/64/1100663264.db2.gz UEAWOVOTXJWWCR-UHFFFAOYSA-N 0 0 341.358 2.529 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC001635518089 1100665378 /nfs/dbraw/zinc/66/53/78/1100665378.db2.gz TVENSPVHZJDENS-USXIJHARSA-N 0 0 347.415 2.844 10 5 EFBERN CCC[C@H](CC)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001635513176 1100665483 /nfs/dbraw/zinc/66/54/83/1100665483.db2.gz AWQZUBLIZGWOHS-LBPRGKRZSA-N 0 0 345.403 2.892 10 5 EFBERN C/C=C/C=C\C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001635506117 1100665555 /nfs/dbraw/zinc/66/55/55/1100665555.db2.gz ZZTDAIDPQYHNHJ-ZPYFUIHZSA-N 0 0 341.371 2.589 10 5 EFBERN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c(C)c1OC ZINC001635538670 1100666148 /nfs/dbraw/zinc/66/61/48/1100666148.db2.gz LAZTVLJVIWLSDG-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN O=C(N[C@H]1C[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001635549949 1100667224 /nfs/dbraw/zinc/66/72/24/1100667224.db2.gz SGDSDSVYUKURQY-JOCQHMNTSA-N 0 0 342.351 2.888 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(N(C)C(N)=O)c1 ZINC001635668410 1100673418 /nfs/dbraw/zinc/67/34/18/1100673418.db2.gz BCOGWYBNKZFZNA-UHFFFAOYSA-N 0 0 346.318 2.810 10 5 EFBERN C[C@@H](C(=O)N1CC[C@@H](c2cnccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC001635791395 1100680117 /nfs/dbraw/zinc/68/01/17/1100680117.db2.gz DWXUGCSCUXOSBO-TZMCWYRMSA-N 0 0 326.356 2.504 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H](O)c1ccco1 ZINC001635800757 1100680878 /nfs/dbraw/zinc/68/08/78/1100680878.db2.gz SIAFXILSWMJKRP-CYBMUJFWSA-N 0 0 338.747 2.624 10 5 EFBERN O=C(C1=C[S@](=O)CCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001635911959 1100687262 /nfs/dbraw/zinc/68/72/62/1100687262.db2.gz RLINIUSOLPBGLB-LFPIHBKWSA-N 0 0 348.424 2.727 10 5 EFBERN CC[C@H](C)[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)OC ZINC001635987282 1100691010 /nfs/dbraw/zinc/69/10/10/1100691010.db2.gz SLPNTVOPRRQFET-OIBJUYFYSA-N 0 0 347.774 2.760 10 5 EFBERN CSc1cccc(C(=O)Nc2cccc3n[nH]nc32)c1[N+](=O)[O-] ZINC001636022952 1100694529 /nfs/dbraw/zinc/69/45/29/1100694529.db2.gz XNQZPSXJQRHRKW-UHFFFAOYSA-N 0 0 329.341 2.840 10 5 EFBERN CC[C@H](C[C@H](C)O)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001636056670 1100697226 /nfs/dbraw/zinc/69/72/26/1100697226.db2.gz YGHBAXGCXFMEBO-GXTWGEPZSA-N 0 0 343.383 2.936 10 5 EFBERN Nc1c(C(=O)N2Cc3ccncc3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001636067725 1100698275 /nfs/dbraw/zinc/69/82/75/1100698275.db2.gz NUMSABLGCUTAGL-UHFFFAOYSA-N 0 0 334.335 2.881 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1Cc2ccncc2C1 ZINC001636063470 1100698614 /nfs/dbraw/zinc/69/86/14/1100698614.db2.gz SUPIOODFYRSGBH-UHFFFAOYSA-N 0 0 335.266 2.747 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001636086580 1100700345 /nfs/dbraw/zinc/70/03/45/1100700345.db2.gz IQLCBCNBGCLCHX-JTQLQIEISA-N 0 0 339.779 2.662 10 5 EFBERN CC(F)(F)CN1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001636177449 1100704854 /nfs/dbraw/zinc/70/48/54/1100704854.db2.gz LYHOUHWZWFHEJU-UHFFFAOYSA-N 0 0 347.749 2.661 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1[nH]ncc1C(F)(F)F ZINC001636247317 1100709023 /nfs/dbraw/zinc/70/90/23/1100709023.db2.gz QWMVCJDAGNDEFW-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN O=C(NC[C@@H]1CSc2ccccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001636296937 1100711914 /nfs/dbraw/zinc/71/19/14/1100711914.db2.gz YHAUPKCGMQPDCB-WBMJQRKESA-N 0 0 344.392 2.634 10 5 EFBERN Cc1cc(C(=O)NCC[C@@H]2CCC(C)(C)CO2)c(N)c([N+](=O)[O-])c1 ZINC001636296073 1100711952 /nfs/dbraw/zinc/71/19/52/1100711952.db2.gz OEJARSYXIBSVIY-LBPRGKRZSA-N 0 0 335.404 2.811 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C(=O)c1ccccc1 ZINC001636360711 1100715313 /nfs/dbraw/zinc/71/53/13/1100715313.db2.gz RSJBODVVELDNMX-UHFFFAOYSA-N 0 0 342.351 2.995 10 5 EFBERN O=C(NCCc1ccc2c[nH]nc2c1)c1cc([N+](=O)[O-])ccc1F ZINC001636403118 1100716740 /nfs/dbraw/zinc/71/67/40/1100716740.db2.gz OYFYIFZSWLZXEB-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN CC1(C)CCC[C@@]1(O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636388593 1100716927 /nfs/dbraw/zinc/71/69/27/1100716927.db2.gz KQIVEMRNAIONSV-MRXNPFEDSA-N 0 0 340.807 2.848 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001636482331 1100720901 /nfs/dbraw/zinc/72/09/01/1100720901.db2.gz JNYDLTBABGLUFG-AWEZNQCLSA-N 0 0 329.360 2.615 10 5 EFBERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)Cc2cncnc21 ZINC001636526839 1100724910 /nfs/dbraw/zinc/72/49/10/1100724910.db2.gz PGVGQLJOWQBRSV-XFBWCDHKSA-N 0 0 338.367 2.634 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2c(=O)[nH]ccc12 ZINC001636550068 1100725764 /nfs/dbraw/zinc/72/57/64/1100725764.db2.gz JZENGZIQAGJKMX-UHFFFAOYSA-N 0 0 339.307 2.866 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1nc[nH]n1 ZINC001636588608 1100728780 /nfs/dbraw/zinc/72/87/80/1100728780.db2.gz VYYVEYOBZAQSKO-SCSAIBSYSA-N 0 0 348.121 2.650 10 5 EFBERN O=C(Nc1nncn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1F ZINC001636588325 1100728845 /nfs/dbraw/zinc/72/88/45/1100728845.db2.gz USMZJIXTSMFYNU-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN CCn1cc(N(CC(C)C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001636618968 1100730179 /nfs/dbraw/zinc/73/01/79/1100730179.db2.gz RUDJEWPCGWPYTB-INIZCTEOSA-N 0 0 346.387 2.534 10 5 EFBERN Cc1ccc(NC(=O)c2coc(C3CCOCC3)n2)c(N)c1[N+](=O)[O-] ZINC001636724149 1100734232 /nfs/dbraw/zinc/73/42/32/1100734232.db2.gz PVNXFXCOCQBIOL-UHFFFAOYSA-N 0 0 346.343 2.620 10 5 EFBERN Cc1ccc(NC(=O)c2oc3ccccc3c2CO)c(N)c1[N+](=O)[O-] ZINC001636728937 1100735153 /nfs/dbraw/zinc/73/51/53/1100735153.db2.gz HINLJLKGWBOXRA-UHFFFAOYSA-N 0 0 341.323 2.976 10 5 EFBERN Cc1cc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cnc1C ZINC001636771455 1100737594 /nfs/dbraw/zinc/73/75/94/1100737594.db2.gz LCBPMZQKFXKMBJ-UHFFFAOYSA-N 0 0 329.341 2.864 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC001636815753 1100739751 /nfs/dbraw/zinc/73/97/51/1100739751.db2.gz CAKNSPUCHSBZIY-SJCJKPOMSA-N 0 0 346.358 2.764 10 5 EFBERN COCCC1(C)CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001636989246 1100749493 /nfs/dbraw/zinc/74/94/93/1100749493.db2.gz NPSKPTZDLZIHNN-UHFFFAOYSA-N 0 0 326.780 2.676 10 5 EFBERN O=C(c1ccc(CO)nc1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001637022477 1100752089 /nfs/dbraw/zinc/75/20/89/1100752089.db2.gz IAGMBEZRDOBAFA-HNNXBMFYSA-N 0 0 341.367 2.502 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001637069431 1100755107 /nfs/dbraw/zinc/75/51/07/1100755107.db2.gz WCCXQPHXOSSKPQ-HNNXBMFYSA-N 0 0 343.387 2.954 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001637138362 1100760585 /nfs/dbraw/zinc/76/05/85/1100760585.db2.gz XYVSLYYEIGBTKW-UHFFFAOYSA-N 0 0 330.315 2.909 10 5 EFBERN Nc1ccc(NC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC001637201178 1100763827 /nfs/dbraw/zinc/76/38/27/1100763827.db2.gz SJTLFQPLESQDAA-LDYMZIIASA-N 0 0 333.266 2.616 10 5 EFBERN Nc1ccc(NC(=O)c2ccc(-c3csnn3)cc2)cc1[N+](=O)[O-] ZINC001637199545 1100764045 /nfs/dbraw/zinc/76/40/45/1100764045.db2.gz AVKHOXYDVGLWLL-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN Nc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001637201342 1100764068 /nfs/dbraw/zinc/76/40/68/1100764068.db2.gz VEOWNPNRUSKPPU-UHFFFAOYSA-N 0 0 338.323 2.583 10 5 EFBERN CC[C@@]1(C)COCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637223206 1100764889 /nfs/dbraw/zinc/76/48/89/1100764889.db2.gz MJXWEUIZFJWUPX-HNNXBMFYSA-N 0 0 326.780 2.818 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2[nH]c(=O)oc21 ZINC001637209596 1100765104 /nfs/dbraw/zinc/76/51/04/1100765104.db2.gz HVKIKMABFIITFG-UHFFFAOYSA-N 0 0 331.259 2.762 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001637214439 1100765161 /nfs/dbraw/zinc/76/51/61/1100765161.db2.gz XVYNLPVVKOQCCV-XFJVYGCCSA-N 0 0 336.363 2.808 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC001637214437 1100765453 /nfs/dbraw/zinc/76/54/53/1100765453.db2.gz XVYNLPVVKOQCCV-PEYYIBSZSA-N 0 0 336.363 2.808 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccnn2C2CC2)cc1[N+](=O)[O-] ZINC001637257780 1100768375 /nfs/dbraw/zinc/76/83/75/1100768375.db2.gz UAJWRJUXTNXYIE-UHFFFAOYSA-N 0 0 331.288 2.595 10 5 EFBERN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001637280945 1100770566 /nfs/dbraw/zinc/77/05/66/1100770566.db2.gz JXODPACGTSCABB-QFYYESIMSA-N 0 0 347.346 2.822 10 5 EFBERN CC1(C)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@H]1c1ccncc1 ZINC001637302692 1100771691 /nfs/dbraw/zinc/77/16/91/1100771691.db2.gz AUNWFYIBGAAXFE-NSHDSACASA-N 0 0 335.751 2.590 10 5 EFBERN CC(C)c1ccc(C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001637317570 1100772269 /nfs/dbraw/zinc/77/22/69/1100772269.db2.gz ILJQLEBJEWCATJ-KBPBESRZSA-N 0 0 335.379 2.586 10 5 EFBERN O=C(Nc1nc2c(o1)CCCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001637312101 1100772601 /nfs/dbraw/zinc/77/26/01/1100772601.db2.gz IFRVFVMJESZBBF-UHFFFAOYSA-N 0 0 327.300 2.590 10 5 EFBERN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)[C@H](CO)c1ccccc1 ZINC001637382050 1100777087 /nfs/dbraw/zinc/77/70/87/1100777087.db2.gz FIJYXAIMDNHNOL-QGZVFWFLSA-N 0 0 339.351 2.882 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCc2cnc(Cl)cn2)cc1[N+](=O)[O-] ZINC001637388319 1100778886 /nfs/dbraw/zinc/77/88/86/1100778886.db2.gz UZVYSXHZYLYEDK-UHFFFAOYSA-N 0 0 341.154 2.930 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001637385832 1100779054 /nfs/dbraw/zinc/77/90/54/1100779054.db2.gz MQSOMTRTUOQZCQ-UHFFFAOYSA-N 0 0 343.368 2.905 10 5 EFBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@@H]1C1CCCC1 ZINC001637449488 1100783137 /nfs/dbraw/zinc/78/31/37/1100783137.db2.gz ZHCVDDHSGKGAED-CQSZACIVSA-N 0 0 341.371 2.580 10 5 EFBERN COc1cccc(C(=O)NCc2cccc(C(C)=O)c2)c1[N+](=O)[O-] ZINC001637465404 1100784963 /nfs/dbraw/zinc/78/49/63/1100784963.db2.gz QZLJXDQKMJGNDB-UHFFFAOYSA-N 0 0 328.324 2.736 10 5 EFBERN O=C(NCCN1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1F ZINC001637676111 1100798199 /nfs/dbraw/zinc/79/81/99/1100798199.db2.gz FWJNGVZOUXTGBG-UHFFFAOYSA-N 0 0 329.331 2.526 10 5 EFBERN COC(=O)/C=C\[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001637686821 1100799271 /nfs/dbraw/zinc/79/92/71/1100799271.db2.gz JGEMREPDDMUUHN-RWIWAZIYSA-N 0 0 334.353 2.657 10 5 EFBERN Cc1ccc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC001637701863 1100800707 /nfs/dbraw/zinc/80/07/07/1100800707.db2.gz FLFHKWVTINZXHA-AWEZNQCLSA-N 0 0 343.387 2.716 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC001637701796 1100801161 /nfs/dbraw/zinc/80/11/61/1100801161.db2.gz BRFFZABNFFMNQQ-INIZCTEOSA-N 0 0 349.431 2.891 10 5 EFBERN CCOC(=O)C[C@H]1CCCN1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001637702401 1100801169 /nfs/dbraw/zinc/80/11/69/1100801169.db2.gz XMSGLRSSUQFPNM-CQSZACIVSA-N 0 0 349.387 2.530 10 5 EFBERN CCc1nnc([C@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]1 ZINC001637744707 1100802839 /nfs/dbraw/zinc/80/28/39/1100802839.db2.gz CKHGEIIMIJYXSS-NSHDSACASA-N 0 0 343.387 2.574 10 5 EFBERN CC(=O)c1ccc2c(c1)CN(C(=O)c1cc(C)cc([N+](=O)[O-])c1N)C2 ZINC001637848648 1100811201 /nfs/dbraw/zinc/81/12/01/1100811201.db2.gz ZRDUYFWFBWPJKA-UHFFFAOYSA-N 0 0 339.351 2.844 10 5 EFBERN O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001637899951 1100815477 /nfs/dbraw/zinc/81/54/77/1100815477.db2.gz WEIGCJSLQIQAAQ-KOLCDFICSA-N 0 0 334.706 2.527 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c[nH]c2cc(=O)ccc-2c1 ZINC001637907101 1100815796 /nfs/dbraw/zinc/81/57/96/1100815796.db2.gz VEVYLJBNAMIDTP-UHFFFAOYSA-N 0 0 349.306 2.977 10 5 EFBERN COC1(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC001637903563 1100816467 /nfs/dbraw/zinc/81/64/67/1100816467.db2.gz DQWKXGFOZAVURY-UHFFFAOYSA-N 0 0 326.780 2.866 10 5 EFBERN C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001637925225 1100818021 /nfs/dbraw/zinc/81/80/21/1100818021.db2.gz BMXIMSDXMZXVTK-GFCCVEGCSA-N 0 0 335.404 2.715 10 5 EFBERN Nc1ncc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001637977310 1100823080 /nfs/dbraw/zinc/82/30/80/1100823080.db2.gz BLULSUVFMBFCLT-OAHLLOKOSA-N 0 0 338.367 2.939 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-n2cnc3ccccc32)cc1 ZINC001638119161 1100835043 /nfs/dbraw/zinc/83/50/43/1100835043.db2.gz KSBDJHQHOCJLAE-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CC1(C)C[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001638133560 1100836299 /nfs/dbraw/zinc/83/62/99/1100836299.db2.gz POHVSMVMUPEZRB-NSHDSACASA-N 0 0 326.780 2.865 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001141778639 1100839788 /nfs/dbraw/zinc/83/97/88/1100839788.db2.gz GDJAAOGXWRVGKP-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN Cc1nc([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001638206615 1100841575 /nfs/dbraw/zinc/84/15/75/1100841575.db2.gz CDRDAZQDNFMJMJ-OAHLLOKOSA-N 0 0 328.372 2.841 10 5 EFBERN Cc1nnc(N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)s1 ZINC001638246690 1100844019 /nfs/dbraw/zinc/84/40/19/1100844019.db2.gz OFVBFCUUUJKTED-UHFFFAOYSA-N 0 0 343.368 2.767 10 5 EFBERN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cccc([N+](=O)[O-])c1Cl ZINC001638259970 1100844206 /nfs/dbraw/zinc/84/42/06/1100844206.db2.gz TXLCPUFDMAEWNM-UHFFFAOYSA-N 0 0 345.742 2.786 10 5 EFBERN O=C(NCc1nc(-c2ccccc2)no1)c1c(F)cccc1[N+](=O)[O-] ZINC001638276462 1100845660 /nfs/dbraw/zinc/84/56/60/1100845660.db2.gz JPZFOCIKBHCMJU-UHFFFAOYSA-N 0 0 342.286 2.714 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC)c(F)c1N ZINC001638269292 1100845772 /nfs/dbraw/zinc/84/57/72/1100845772.db2.gz SQIBWNPNLYGBBC-UHFFFAOYSA-N 0 0 349.318 2.976 10 5 EFBERN Cc1ccnc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001638382562 1100853981 /nfs/dbraw/zinc/85/39/81/1100853981.db2.gz JXPCPJAWETWVBR-JTQLQIEISA-N 0 0 326.312 2.930 10 5 EFBERN COc1ccc2c(c1)OCC(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)=C2 ZINC001638381886 1100854089 /nfs/dbraw/zinc/85/40/89/1100854089.db2.gz UTVOCYVKZYPSKS-UHFFFAOYSA-N 0 0 341.323 2.600 10 5 EFBERN Nc1ccc(NC(=O)Cc2c[nH]c3cnc(Cl)cc23)cc1[N+](=O)[O-] ZINC001638385864 1100854533 /nfs/dbraw/zinc/85/45/33/1100854533.db2.gz MUBOKRKWLKXQAV-UHFFFAOYSA-N 0 0 345.746 2.888 10 5 EFBERN CCCn1ccc(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC001638469660 1100862681 /nfs/dbraw/zinc/86/26/81/1100862681.db2.gz YCJHXZKCJJPSDY-UHFFFAOYSA-N 0 0 345.384 2.741 10 5 EFBERN COc1ccc2[nH]c(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001638478565 1100863285 /nfs/dbraw/zinc/86/32/85/1100863285.db2.gz RXWBIRMEJHCTMJ-MRXNPFEDSA-N 0 0 341.323 2.757 10 5 EFBERN O=C(NC[C@@H](CO)Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001638483300 1100863294 /nfs/dbraw/zinc/86/32/94/1100863294.db2.gz WWBORAWOAYYNJI-ZDUSSCGKSA-N 0 0 348.786 2.829 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001638558259 1100869104 /nfs/dbraw/zinc/86/91/04/1100869104.db2.gz HQYDIIJYFQHWSK-LNHVQRHZSA-N 0 0 328.372 2.916 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001638558260 1100869242 /nfs/dbraw/zinc/86/92/42/1100869242.db2.gz HQYDIIJYFQHWSK-TZTCFGBESA-N 0 0 328.372 2.916 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1Cc2cccc(O)c2C1 ZINC001638577292 1100871015 /nfs/dbraw/zinc/87/10/15/1100871015.db2.gz JYDJNJCCQAGIGT-GFCCVEGCSA-N 0 0 346.770 2.780 10 5 EFBERN CCOc1cc(C(=O)Nc2cc(C)cc(=O)[nH]2)c([N+](=O)[O-])cc1OC ZINC001638661039 1100876689 /nfs/dbraw/zinc/87/66/89/1100876689.db2.gz AWNNOKZTUKWJDT-UHFFFAOYSA-N 0 0 347.327 2.663 10 5 EFBERN C[C@H](CNC(=O)NCC1(C2(O)CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001638707451 1100879960 /nfs/dbraw/zinc/87/99/60/1100879960.db2.gz KHYAPKLDSNQKIF-CYBMUJFWSA-N 0 0 347.415 2.693 10 5 EFBERN Cc1cc(Cl)c(C(=O)Nc2nc(CCO)cs2)cc1[N+](=O)[O-] ZINC001638724316 1100880933 /nfs/dbraw/zinc/88/09/33/1100880933.db2.gz SNLMCCLFXTXYEO-UHFFFAOYSA-N 0 0 341.776 2.800 10 5 EFBERN CC(=O)c1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC001671291687 1100887936 /nfs/dbraw/zinc/88/79/36/1100887936.db2.gz POOJTPFNNABDSJ-UHFFFAOYSA-N 0 0 339.300 2.704 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)OC)c(F)c1 ZINC001638891813 1100896079 /nfs/dbraw/zinc/89/60/79/1100896079.db2.gz BABADKNOZZFYRT-UHFFFAOYSA-N 0 0 347.302 2.815 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnn1CC1CCC1 ZINC001638896610 1100896974 /nfs/dbraw/zinc/89/69/74/1100896974.db2.gz VRTJOSJULWGJFR-UHFFFAOYSA-N 0 0 329.360 2.885 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N=[S@]1(=O)CCc2ccccc21 ZINC001638932513 1100899187 /nfs/dbraw/zinc/89/91/87/1100899187.db2.gz FHJHCFJUDCVRGN-DEOSSOPVSA-N 0 0 349.343 2.540 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(c2ccccc2)CCCO1 ZINC001638984753 1100902324 /nfs/dbraw/zinc/90/23/24/1100902324.db2.gz MMGBLFGSWMIHKG-GOSISDBHSA-N 0 0 341.367 2.613 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1(C)C ZINC001638972934 1100903115 /nfs/dbraw/zinc/90/31/15/1100903115.db2.gz BRGCTUACFOXEBF-UONOGXRCSA-N 0 0 335.404 2.889 10 5 EFBERN CN(Cc1noc(C2CC2)n1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001639083752 1100911386 /nfs/dbraw/zinc/91/13/86/1100911386.db2.gz RLCWUOPQJLJTQJ-KGLIPLIRSA-N 0 0 342.355 2.617 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1scnc1Cl ZINC001639087847 1100912716 /nfs/dbraw/zinc/91/27/16/1100912716.db2.gz KPFDHEAELHNGMX-UHFFFAOYSA-N 0 0 333.703 2.913 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C1Cc2ccccc2C1 ZINC001639088198 1100912987 /nfs/dbraw/zinc/91/29/87/1100912987.db2.gz YRZMZUBYRVRPRK-UHFFFAOYSA-N 0 0 332.306 2.904 10 5 EFBERN O=C(NC1(c2ncon2)CCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC001639123076 1100914805 /nfs/dbraw/zinc/91/48/05/1100914805.db2.gz WYVIUWLRTVDVKO-UHFFFAOYSA-N 0 0 336.735 2.831 10 5 EFBERN COc1ccc2[nH]c([C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-])nc2c1 ZINC001639161976 1100920959 /nfs/dbraw/zinc/92/09/59/1100920959.db2.gz YDYRPQAUPKOCES-SNVBAGLBSA-N 0 0 334.376 2.584 10 5 EFBERN Nc1c(C(=O)Nc2ccc(CO)cc2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001639186643 1100922153 /nfs/dbraw/zinc/92/21/53/1100922153.db2.gz VLUTXACOQNAKHU-UHFFFAOYSA-N 0 0 339.710 2.714 10 5 EFBERN CN(Cc1ccc(C(N)=O)cc1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001639188699 1100923657 /nfs/dbraw/zinc/92/36/57/1100923657.db2.gz MHYBMPCFPKCULN-UHFFFAOYSA-N 0 0 336.351 2.878 10 5 EFBERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1-n1cc([N+](=O)[O-])cn1 ZINC001639239458 1100928441 /nfs/dbraw/zinc/92/84/41/1100928441.db2.gz QPMCMRMGUBWCCM-UHFFFAOYSA-N 0 0 338.279 2.920 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cc(C(F)F)ncn2)c1 ZINC001639271808 1100932563 /nfs/dbraw/zinc/93/25/63/1100932563.db2.gz AEHYYPBLSUWTFJ-UHFFFAOYSA-N 0 0 325.227 2.901 10 5 EFBERN O=c1[nH]ccc(NCc2ccc(OCC(F)(F)F)nc2)c1[N+](=O)[O-] ZINC001639279652 1100933068 /nfs/dbraw/zinc/93/30/68/1100933068.db2.gz RWZLQCYEMJAGJD-UHFFFAOYSA-N 0 0 344.249 2.644 10 5 EFBERN Cc1nc(NCCNc2ncccc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001639302385 1100936081 /nfs/dbraw/zinc/93/60/81/1100936081.db2.gz UBJOSEIRZBRSNB-UHFFFAOYSA-N 0 0 342.281 2.631 10 5 EFBERN O=c1[nH]ccc(NCc2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC001639345657 1100940718 /nfs/dbraw/zinc/94/07/18/1100940718.db2.gz JPTMHLMMSUJOES-UHFFFAOYSA-N 0 0 337.719 2.732 10 5 EFBERN CN(Cc1ccn(-c2ccccc2)n1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001639386802 1100942842 /nfs/dbraw/zinc/94/28/42/1100942842.db2.gz WRWLQZFRHMEPRU-UHFFFAOYSA-N 0 0 325.328 2.518 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCCc1ccn(-c2ccccc2)n1 ZINC001639399787 1100944055 /nfs/dbraw/zinc/94/40/55/1100944055.db2.gz UMFOGNCPCCJHMF-UHFFFAOYSA-N 0 0 343.774 2.905 10 5 EFBERN CN(CC(=O)O[C@@H]1CCCC(C)(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000840237368 1100944949 /nfs/dbraw/zinc/94/49/49/1100944949.db2.gz JWPBAWLSOQKWFP-CQSZACIVSA-N 0 0 334.372 2.722 10 5 EFBERN CC(C)(C(=O)Nc1cnc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001639400766 1100945744 /nfs/dbraw/zinc/94/57/44/1100945744.db2.gz KOWOGTBUKKKQSL-UHFFFAOYSA-N 0 0 325.328 2.782 10 5 EFBERN CNc1c(C(=O)N[C@@H](C)c2cc3n(n2)CCCC3)cccc1[N+](=O)[O-] ZINC001639433082 1100947947 /nfs/dbraw/zinc/94/79/47/1100947947.db2.gz JGJHHVYXRJDSDH-NSHDSACASA-N 0 0 343.387 2.660 10 5 EFBERN Cc1ncsc1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001639446637 1100949785 /nfs/dbraw/zinc/94/97/85/1100949785.db2.gz JINDGKHNQHQLQQ-UHFFFAOYSA-N 0 0 345.340 2.850 10 5 EFBERN C[S@](=O)Cc1cccc(Nc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001639477484 1100954419 /nfs/dbraw/zinc/95/44/19/1100954419.db2.gz BSKZZSUJLYQWPC-NRFANRHFSA-N 0 0 325.777 2.687 10 5 EFBERN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Oc1cccc(F)c1 ZINC001639539608 1100959571 /nfs/dbraw/zinc/95/95/71/1100959571.db2.gz NMSGHDYGXRUJRU-JTQLQIEISA-N 0 0 333.319 2.712 10 5 EFBERN Cc1cnc(N[C@H](CC(N)=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001639570080 1100961642 /nfs/dbraw/zinc/96/16/42/1100961642.db2.gz GTEGUAVDOXQDSE-GFCCVEGCSA-N 0 0 334.763 2.980 10 5 EFBERN C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001639620236 1100967176 /nfs/dbraw/zinc/96/71/76/1100967176.db2.gz GVIJIRDQGVWEKK-OCCSQVGLSA-N 0 0 336.391 2.524 10 5 EFBERN COc1ccc2c(c1)N(C(=O)c1cnc(N)c([N+](=O)[O-])c1)CCCC2 ZINC001639667509 1100972931 /nfs/dbraw/zinc/97/29/31/1100972931.db2.gz LHZVTBKBOUCCOP-UHFFFAOYSA-N 0 0 342.355 2.564 10 5 EFBERN Cc1cc(=O)[nH]c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001639702019 1100976259 /nfs/dbraw/zinc/97/62/59/1100976259.db2.gz FSGOALXELVEZOQ-UHFFFAOYSA-N 0 0 326.312 2.666 10 5 EFBERN C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001639734035 1100980337 /nfs/dbraw/zinc/98/03/37/1100980337.db2.gz HYAGKNZSUBYSJE-JTNHKYCSSA-N 0 0 328.821 2.990 10 5 EFBERN CC1(CO)CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001639754910 1100980776 /nfs/dbraw/zinc/98/07/76/1100980776.db2.gz NUHUGKHQQKHYNM-UHFFFAOYSA-N 0 0 346.343 2.650 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC001639768961 1100982104 /nfs/dbraw/zinc/98/21/04/1100982104.db2.gz QJIWEHMOJDTRDR-BJOHPYRUSA-N 0 0 336.294 2.725 10 5 EFBERN CC(C)c1cncc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC001639849424 1100988672 /nfs/dbraw/zinc/98/86/72/1100988672.db2.gz IGAYKNJSRLTKNS-UHFFFAOYSA-N 0 0 343.339 2.943 10 5 EFBERN CCNc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC001639866638 1100990757 /nfs/dbraw/zinc/99/07/57/1100990757.db2.gz GRYQRKAVUHBPHF-UHFFFAOYSA-N 0 0 326.316 2.550 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)COC(=O)N2 ZINC001639886245 1100991808 /nfs/dbraw/zinc/99/18/08/1100991808.db2.gz DHXGAMMMMOTZHI-UHFFFAOYSA-N 0 0 342.311 2.951 10 5 EFBERN Cc1nnc([C@H](C)Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)[nH]1 ZINC001639883211 1100992508 /nfs/dbraw/zinc/99/25/08/1100992508.db2.gz RYISFYDXUKPHMB-LURJTMIESA-N 0 0 333.739 2.791 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CO)cc1 ZINC001639896908 1100993196 /nfs/dbraw/zinc/99/31/96/1100993196.db2.gz GJYDXGBQZQIPEM-LBPRGKRZSA-N 0 0 346.408 2.884 10 5 EFBERN Cn1nnc2cc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc21 ZINC001639892433 1100993205 /nfs/dbraw/zinc/99/32/05/1100993205.db2.gz WQFZBZBQYJUJBZ-UHFFFAOYSA-N 0 0 336.311 2.610 10 5 EFBERN Cc1cc2cc(Nc3c(Cl)cncc3[N+](=O)[O-])ccc2n(C)c1=O ZINC001639956552 1100998340 /nfs/dbraw/zinc/99/83/40/1100998340.db2.gz BBRKVDFRVLLHLK-UHFFFAOYSA-N 0 0 344.758 2.969 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@H](O)Cc2cccc(F)c2)s1 ZINC001639968124 1100999124 /nfs/dbraw/zinc/99/91/24/1100999124.db2.gz LKPMQCUROMOHST-LLVKDONJSA-N 0 0 348.359 2.754 10 5 EFBERN Cc1nn(C)c2sc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)cc12 ZINC001639993519 1101000875 /nfs/dbraw/zinc/00/08/75/1101000875.db2.gz WBNVKVFEWGWAJG-UHFFFAOYSA-N 0 0 345.384 2.994 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3cnc(Cl)cn3)cc2N1 ZINC001640001281 1101001760 /nfs/dbraw/zinc/00/17/60/1101001760.db2.gz BTLCTQKIYNSULS-UHFFFAOYSA-N 0 0 333.735 2.535 10 5 EFBERN CS(=O)(=O)c1ccc(NCc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC001640018049 1101006343 /nfs/dbraw/zinc/00/63/43/1101006343.db2.gz DNFWSKQPZCXCJQ-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN O=C1CC[C@H](c2cccc(Nc3cc(F)c([N+](=O)[O-])cc3CO)c2)N1 ZINC001640036290 1101008757 /nfs/dbraw/zinc/00/87/57/1101008757.db2.gz SFSLORDKSKBEPX-CQSZACIVSA-N 0 0 345.330 2.921 10 5 EFBERN O=C1CC[C@@H](c2cccc(Nc3nc4ccccn4c3[N+](=O)[O-])c2)N1 ZINC001640036351 1101008875 /nfs/dbraw/zinc/00/88/75/1101008875.db2.gz VEDMAYBRDMBVAD-ZDUSSCGKSA-N 0 0 337.339 2.937 10 5 EFBERN Cc1cccc2c1O[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C2 ZINC001640048710 1101009069 /nfs/dbraw/zinc/00/90/69/1101009069.db2.gz CNUJFGXIUMBYMY-HNNXBMFYSA-N 0 0 348.305 2.801 10 5 EFBERN CCc1n[nH]c(C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001640050702 1101009803 /nfs/dbraw/zinc/00/98/03/1101009803.db2.gz APIZMNMBZWZVRY-ZIAGYGMSSA-N 0 0 342.399 2.879 10 5 EFBERN O=C(N[C@H](Cc1ccccc1)c1ncco1)c1ccc([N+](=O)[O-])[nH]1 ZINC001640064950 1101010472 /nfs/dbraw/zinc/01/04/72/1101010472.db2.gz UBSOFFVWIJKMQX-CYBMUJFWSA-N 0 0 326.312 2.625 10 5 EFBERN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@@H](O)c1ccccc1 ZINC001640087906 1101012815 /nfs/dbraw/zinc/01/28/15/1101012815.db2.gz MRBHHDOEISYWBO-RDJZCZTQSA-N 0 0 343.383 2.930 10 5 EFBERN CCC(=O)c1ccc(NCCCOc2ncccn2)c([N+](=O)[O-])c1 ZINC001640101799 1101014735 /nfs/dbraw/zinc/01/47/35/1101014735.db2.gz JJXPOXZYOQDMDA-UHFFFAOYSA-N 0 0 330.344 2.859 10 5 EFBERN Cc1noc([C@@H](C)N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001640202401 1101020917 /nfs/dbraw/zinc/02/09/17/1101020917.db2.gz MUKLFWBEMSEZJU-ZCFIWIBFSA-N 0 0 342.714 2.912 10 5 EFBERN O=[N+]([O-])c1c(N[C@@H](CO)c2ccc(F)cc2F)nc2sccn21 ZINC001640189743 1101021649 /nfs/dbraw/zinc/02/16/49/1101021649.db2.gz LRFPGRGQLTWQRS-JTQLQIEISA-N 0 0 340.311 2.728 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC001640202884 1101022251 /nfs/dbraw/zinc/02/22/51/1101022251.db2.gz BHQVNYWEYFVEIS-CYBMUJFWSA-N 0 0 329.360 2.717 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H](CO)[C@H](O)c1ccc(Cl)cc1 ZINC001640206240 1101022677 /nfs/dbraw/zinc/02/26/77/1101022677.db2.gz YJJZTKMFBLFRCQ-DZGCQCFKSA-N 0 0 340.738 2.894 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCc1ccc(=O)[nH]c1 ZINC001640291083 1101032422 /nfs/dbraw/zinc/03/24/22/1101032422.db2.gz FVENYTSYEHQCOS-UHFFFAOYSA-N 0 0 349.774 2.640 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC001640344805 1101037167 /nfs/dbraw/zinc/03/71/67/1101037167.db2.gz RROZHPKLQRHAFG-LBPRGKRZSA-N 0 0 349.412 2.947 10 5 EFBERN C[C@H](Cc1cn(C)nn1)Nc1cccc(Br)c1[N+](=O)[O-] ZINC001640355114 1101037976 /nfs/dbraw/zinc/03/79/76/1101037976.db2.gz NJWBIRQXJTUHKQ-MRVPVSSYSA-N 0 0 340.181 2.529 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC001640363252 1101039513 /nfs/dbraw/zinc/03/95/13/1101039513.db2.gz GBXWWALBYCLOQH-JKSUJKDBSA-N 0 0 329.356 2.651 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc2oc(=O)[nH]c21 ZINC001640362466 1101039716 /nfs/dbraw/zinc/03/97/16/1101039716.db2.gz KGOOHWJIBLQMSI-UHFFFAOYSA-N 0 0 341.323 2.756 10 5 EFBERN Cn1nc(C(F)(F)F)cc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC001640381847 1101040708 /nfs/dbraw/zinc/04/07/08/1101040708.db2.gz YTJACXIAGBDVGN-UHFFFAOYSA-N 0 0 340.265 2.607 10 5 EFBERN Cc1cc(C(=O)N2CC[C@H](Cc3nccs3)C2)c(N)c([N+](=O)[O-])c1 ZINC001640391902 1101042698 /nfs/dbraw/zinc/04/26/98/1101042698.db2.gz BGHWAHDDHCVCFF-LLVKDONJSA-N 0 0 346.412 2.647 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc3[n-][nH+]c(C)c(C)c2-3)c1C ZINC001640407435 1101043147 /nfs/dbraw/zinc/04/31/47/1101043147.db2.gz LAVZUOJEOYSYOR-UHFFFAOYSA-N 0 0 340.343 2.747 10 5 EFBERN CNC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001640412120 1101044796 /nfs/dbraw/zinc/04/47/96/1101044796.db2.gz RUNQCHKEYJYCDR-SECBINFHSA-N 0 0 346.309 2.511 10 5 EFBERN C[C@@](CO)(NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC001640410435 1101045178 /nfs/dbraw/zinc/04/51/78/1101045178.db2.gz WVVYINLMYQTCJX-SFHVURJKSA-N 0 0 339.351 2.714 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2cc(NC(=O)OC(C)(C)C)ccn2)n1 ZINC001640421594 1101045880 /nfs/dbraw/zinc/04/58/80/1101045880.db2.gz IDRIMBGAVBZLRT-UHFFFAOYSA-N 0 0 348.363 2.682 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@]3(OC)CCSC3)c2c1 ZINC001640434990 1101046221 /nfs/dbraw/zinc/04/62/21/1101046221.db2.gz PUOWHTOVMPVNDY-MRXNPFEDSA-N 0 0 349.412 2.508 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1Cl ZINC001640442335 1101046659 /nfs/dbraw/zinc/04/66/59/1101046659.db2.gz SQICADPTOHPDQS-GRYCIOLGSA-N 0 0 338.791 2.790 10 5 EFBERN C[C@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCS1(=O)=O ZINC001640453332 1101048345 /nfs/dbraw/zinc/04/83/45/1101048345.db2.gz SYEKWNJTQQIWHK-JQWIXIFHSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC001640452917 1101048519 /nfs/dbraw/zinc/04/85/19/1101048519.db2.gz LGRJDQKPIMVPPY-WDEREUQCSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCS1(=O)=O ZINC001640453333 1101049413 /nfs/dbraw/zinc/04/94/13/1101049413.db2.gz SYEKWNJTQQIWHK-PWSUYJOCSA-N 0 0 335.385 2.521 10 5 EFBERN COC(=O)c1cnc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001640477881 1101051147 /nfs/dbraw/zinc/05/11/47/1101051147.db2.gz BTWBHTYXOSZKNQ-YRZLHWLASA-N 0 0 331.372 2.649 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C2CC2)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC001640493875 1101052174 /nfs/dbraw/zinc/05/21/74/1101052174.db2.gz WOHTYCALWUVTIU-JSGCOSHPSA-N 0 0 349.387 2.702 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1c(Cl)oc2ccccc21 ZINC001640491065 1101052349 /nfs/dbraw/zinc/05/23/49/1101052349.db2.gz RIZBIWRPYUPNKG-UHFFFAOYSA-N 0 0 346.730 2.902 10 5 EFBERN CC(C)N(C[C@H]1CCC(=O)N1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000840385885 1101054850 /nfs/dbraw/zinc/05/48/50/1101054850.db2.gz BJVHISACRLGHMJ-SNVBAGLBSA-N 0 0 334.401 2.698 10 5 EFBERN Cn1ccnc1[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(F)c(F)c1 ZINC001640510994 1101054856 /nfs/dbraw/zinc/05/48/56/1101054856.db2.gz YWYXNVNPJFWBNE-GFCCVEGCSA-N 0 0 348.313 2.542 10 5 EFBERN Cn1ccnc1[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC001640510840 1101055059 /nfs/dbraw/zinc/05/50/59/1101055059.db2.gz SYMFVLIBWVFXQH-CYBMUJFWSA-N 0 0 346.297 2.598 10 5 EFBERN O=[N+]([O-])c1cnc(Oc2cc3c(cc2[N+](=O)[O-])OCCO3)c(F)c1 ZINC001640529866 1101056260 /nfs/dbraw/zinc/05/62/60/1101056260.db2.gz UENORDSJLPQAAG-UHFFFAOYSA-N 0 0 337.219 2.601 10 5 EFBERN Cc1nn(CCC(=O)Nc2nccc3ccccc32)c(C)c1[N+](=O)[O-] ZINC001640648140 1101068404 /nfs/dbraw/zinc/06/84/04/1101068404.db2.gz VBQCIYLXBABJGO-UHFFFAOYSA-N 0 0 339.355 2.985 10 5 EFBERN Cc1cn2c(ncc(C(=O)Nc3cc(C)cc([N+](=O)[O-])c3)c2=O)s1 ZINC001640647235 1101068560 /nfs/dbraw/zinc/06/85/60/1101068560.db2.gz VNGZJRWVJFWWMP-UHFFFAOYSA-N 0 0 344.352 2.533 10 5 EFBERN O=[N+]([O-])c1ncccc1CSc1n[nH]c(-c2ccccc2O)n1 ZINC001640750705 1101076801 /nfs/dbraw/zinc/07/68/01/1101076801.db2.gz XBCJGGXNIFKGFX-UHFFFAOYSA-N 0 0 329.341 2.773 10 5 EFBERN Cc1ccc(C=Cc2nc(SCc3cn(C)nc3[N+](=O)[O-])n[nH]2)o1 ZINC001640834747 1101082837 /nfs/dbraw/zinc/08/28/37/1101082837.db2.gz OKRCFKMSTITYGO-AATRIKPKSA-N 0 0 346.372 2.811 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCCc2ccccc2CC1 ZINC001640853207 1101084057 /nfs/dbraw/zinc/08/40/57/1101084057.db2.gz LYTKOPWMFVVKHZ-UHFFFAOYSA-N 0 0 334.763 2.602 10 5 EFBERN Cc1cn2c(nc(COc3cc([N+](=O)[O-])ccc3C)cc2=O)s1 ZINC001640858314 1101084375 /nfs/dbraw/zinc/08/43/75/1101084375.db2.gz WQLCQZADVLPPOV-UHFFFAOYSA-N 0 0 331.353 2.860 10 5 EFBERN Nc1c(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001640858177 1101084693 /nfs/dbraw/zinc/08/46/93/1101084693.db2.gz XTMVXGOOARSGGQ-HNNXBMFYSA-N 0 0 345.330 2.530 10 5 EFBERN Cc1noc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1[N+](=O)[O-] ZINC001640909653 1101086956 /nfs/dbraw/zinc/08/69/56/1101086956.db2.gz GTKFQDQCGXASRO-UHFFFAOYSA-N 0 0 329.272 2.711 10 5 EFBERN COCCSCCCOc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC001641049720 1101097796 /nfs/dbraw/zinc/09/77/96/1101097796.db2.gz UJQQLCBOPSIMAI-UHFFFAOYSA-N 0 0 329.374 2.530 10 5 EFBERN Cc1ccc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC001641076127 1101100367 /nfs/dbraw/zinc/10/03/67/1101100367.db2.gz ASTDJIYPIPAGNH-UHFFFAOYSA-N 0 0 346.730 2.817 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(N)=O)cs1 ZINC001641089833 1101100938 /nfs/dbraw/zinc/10/09/38/1101100938.db2.gz XZDKJBKAZMWIRH-UHFFFAOYSA-N 0 0 348.384 2.828 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2cccc3n[nH]nc32)ccc1[N+](=O)[O-] ZINC001641119794 1101105307 /nfs/dbraw/zinc/10/53/07/1101105307.db2.gz YLBOOANNNDVNDG-UHFFFAOYSA-N 0 0 341.327 2.906 10 5 EFBERN CC1(C)OC[C@@H](CCn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)O1 ZINC001641159922 1101109134 /nfs/dbraw/zinc/10/91/34/1101109134.db2.gz JKAFQSVMCFNLHI-LLVKDONJSA-N 0 0 336.323 2.534 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCC(=O)NCc2ccc(C)cc2)c1 ZINC001641226116 1101115969 /nfs/dbraw/zinc/11/59/69/1101115969.db2.gz MPFNQMIXKMNYGR-UHFFFAOYSA-N 0 0 330.340 2.607 10 5 EFBERN Cc1ccc(-c2nc(Cn3cc([N+](=O)[O-])cc(F)c3=O)co2)cc1 ZINC001641226165 1101116048 /nfs/dbraw/zinc/11/60/48/1101116048.db2.gz PAMLSNBJKXLDFS-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN COC(=O)[C@H]1CCCC[C@H]1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001641233216 1101116908 /nfs/dbraw/zinc/11/69/08/1101116908.db2.gz MSBXSXHWEILWDC-KBPBESRZSA-N 0 0 348.399 2.615 10 5 EFBERN CNc1nccc(C(=O)Nc2ccccc2OCCF)c1[N+](=O)[O-] ZINC001641261886 1101119848 /nfs/dbraw/zinc/11/98/48/1101119848.db2.gz NEIDYAGQHLFFQH-UHFFFAOYSA-N 0 0 334.307 2.632 10 5 EFBERN CC(C)CC(=O)Nc1ccc(C(=O)Cn2ccnc2[N+](=O)[O-])cc1 ZINC001641351574 1101127393 /nfs/dbraw/zinc/12/73/93/1101127393.db2.gz OUBILRDWKFDYCI-UHFFFAOYSA-N 0 0 330.344 2.659 10 5 EFBERN C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC001641393220 1101131553 /nfs/dbraw/zinc/13/15/53/1101131553.db2.gz AAJAZSXHOKISKU-CYBMUJFWSA-N 0 0 330.388 2.885 10 5 EFBERN COc1cncc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001641430980 1101135513 /nfs/dbraw/zinc/13/55/13/1101135513.db2.gz WMDCOLNHIBFABE-UHFFFAOYSA-N 0 0 344.371 2.507 10 5 EFBERN Cc1nccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1Cl ZINC001641458280 1101137134 /nfs/dbraw/zinc/13/71/34/1101137134.db2.gz CSWAHFKKOZQBCV-UHFFFAOYSA-N 0 0 347.758 2.975 10 5 EFBERN O=C(COc1c(F)cc([N+](=O)[O-])cc1Cl)NCc1ccco1 ZINC001641468174 1101138493 /nfs/dbraw/zinc/13/84/93/1101138493.db2.gz RCKJGVKTONEDPE-UHFFFAOYSA-N 0 0 328.683 2.676 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cnn(CCF)c2)c1F ZINC001641527532 1101144076 /nfs/dbraw/zinc/14/40/76/1101144076.db2.gz XRQQBIVVXVZBIF-UHFFFAOYSA-N 0 0 328.250 2.600 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641556404 1101146218 /nfs/dbraw/zinc/14/62/18/1101146218.db2.gz YHJOTVRAHGBVRC-IMJJTQAJSA-N 0 0 346.770 2.954 10 5 EFBERN Cc1c[nH]c(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC001641654491 1101153088 /nfs/dbraw/zinc/15/30/88/1101153088.db2.gz IFEKOEDKFZVSSD-UHFFFAOYSA-N 0 0 332.363 2.643 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)n1 ZINC001641663231 1101154273 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10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(Nc3cnn(Cc4cccnc4)c3)nc2c1 ZINC001642195518 1101197169 /nfs/dbraw/zinc/19/71/69/1101197169.db2.gz GEKGCVDOAFTOKJ-UHFFFAOYSA-N 0 0 335.327 2.855 10 5 EFBERN O=c1[nH]ccc(NCCc2ccn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC001642192871 1101197424 /nfs/dbraw/zinc/19/74/24/1101197424.db2.gz ZUPALOGZOBEHPE-UHFFFAOYSA-N 0 0 325.328 2.536 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001642201530 1101197514 /nfs/dbraw/zinc/19/75/14/1101197514.db2.gz RABXULMTCYYZIF-HDJSIYSDSA-N 0 0 327.340 2.592 10 5 EFBERN COc1nccc2c(NC(=O)c3cc([N+](=O)[O-])ccc3N)cccc12 ZINC001642314275 1101204983 /nfs/dbraw/zinc/20/49/83/1101204983.db2.gz PPCHMIJTBXOTRY-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN NC(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001642348697 1101208480 /nfs/dbraw/zinc/20/84/80/1101208480.db2.gz YXYADTRLAMGTKI-CYBMUJFWSA-N 0 0 341.371 2.612 10 5 EFBERN Cc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cnc1C(F)(F)F ZINC001642394176 1101210847 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EFBERN CC(C)(C)OCCCC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001642692317 1101232663 /nfs/dbraw/zinc/23/26/63/1101232663.db2.gz MSXHVKLABYFBFZ-KRWDZBQOSA-N 0 0 338.404 2.514 10 5 EFBERN C[C@](CO)(NC(=O)Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001642693629 1101233876 /nfs/dbraw/zinc/23/38/76/1101233876.db2.gz VCITZTKOQVCCKM-QGZVFWFLSA-N 0 0 348.786 2.815 10 5 EFBERN C[C@@](CO)(NC(=O)Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001642693628 1101234230 /nfs/dbraw/zinc/23/42/30/1101234230.db2.gz VCITZTKOQVCCKM-KRWDZBQOSA-N 0 0 348.786 2.815 10 5 EFBERN CN(Cc1nncn1C)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001642712282 1101235511 /nfs/dbraw/zinc/23/55/11/1101235511.db2.gz BWRXADSHRPISLL-UHFFFAOYSA-N 0 0 332.751 2.561 10 5 EFBERN Cc1cc2cc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])ccc2n(C)c1=O ZINC001642723704 1101236021 /nfs/dbraw/zinc/23/60/21/1101236021.db2.gz XEFXHVCGLBNNOL-UHFFFAOYSA-N 0 0 326.312 2.599 10 5 EFBERN Cc1ccc(C[C@@H](CO)Nc2nc3sccn3c2[N+](=O)[O-])cc1C ZINC001642761861 1101238791 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COC(=O)c1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)ccn1 ZINC001642996614 1101263024 /nfs/dbraw/zinc/26/30/24/1101263024.db2.gz AMIJPWHXOGGKRY-UHFFFAOYSA-N 0 0 342.355 2.662 10 5 EFBERN Cn1cnnc1[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001643125659 1101272684 /nfs/dbraw/zinc/27/26/84/1101272684.db2.gz KWDDAPYVUWWEFD-SECBINFHSA-N 0 0 341.293 2.736 10 5 EFBERN O=c1[nH]c(C2CC2)nc2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001643129909 1101273219 /nfs/dbraw/zinc/27/32/19/1101273219.db2.gz JSEBGCRNNBCYEI-UHFFFAOYSA-N 0 0 333.735 2.536 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1cc(C2CC2)no1 ZINC001643163547 1101276805 /nfs/dbraw/zinc/27/68/05/1101276805.db2.gz INVKWCKQVXVWBE-UHFFFAOYSA-N 0 0 342.355 2.965 10 5 EFBERN Cn1ccc([C@@H]2CCCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n1 ZINC001643199789 1101279655 /nfs/dbraw/zinc/27/96/55/1101279655.db2.gz IZEJBIOHGVUDSE-LLVKDONJSA-N 0 0 331.332 2.621 10 5 EFBERN CS(C)(=O)=NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001643206701 1101280449 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COC(=O)c1cnc(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])s1 ZINC001643261921 1101284980 /nfs/dbraw/zinc/28/49/80/1101284980.db2.gz GLWVPBGCNKOYNW-UHFFFAOYSA-N 0 0 349.368 2.695 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](C2CC2)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC001643265745 1101285698 /nfs/dbraw/zinc/28/56/98/1101285698.db2.gz LYLLGMZPTPGLPZ-JSGCOSHPSA-N 0 0 349.387 2.784 10 5 EFBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC001643268727 1101286080 /nfs/dbraw/zinc/28/60/80/1101286080.db2.gz QUKSZWUGXWSLBT-UHFFFAOYSA-N 0 0 326.280 2.547 10 5 EFBERN CCc1noc([C@@H]2CC[C@@H](Nc3c(Cl)cncc3[N+](=O)[O-])C2)n1 ZINC001643265571 1101286102 /nfs/dbraw/zinc/28/61/02/1101286102.db2.gz FUROTAHPVDPWBG-RKDXNWHRSA-N 0 0 337.767 2.759 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(CCO)cc1 ZINC001643287027 1101287541 /nfs/dbraw/zinc/28/75/41/1101287541.db2.gz KZBHDNSICDDPEE-UHFFFAOYSA-N 0 0 344.367 2.837 10 5 EFBERN O=[N+]([O-])c1c(NCCn2cc(-c3ccccc3)nn2)nc2ccccn21 ZINC001643319589 1101290761 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334.763 2.980 10 5 EFBERN COc1ccc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)cn1 ZINC000784933312 1101355509 /nfs/dbraw/zinc/35/55/09/1101355509.db2.gz GEJSKUZBWXCSPX-UHFFFAOYSA-N 0 0 334.353 2.948 10 5 EFBERN O=C1C[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC001651606075 1101355730 /nfs/dbraw/zinc/35/57/30/1101355730.db2.gz VZFNQIOGZHWBQU-SECBINFHSA-N 0 0 329.278 2.789 10 5 EFBERN Cn1cc(/C=C/C(=O)OCCSc2ccc([N+](=O)[O-])cc2)cn1 ZINC000784934714 1101361236 /nfs/dbraw/zinc/36/12/36/1101361236.db2.gz PUJGSQULTZQSOR-FARCUNLSSA-N 0 0 333.369 2.677 10 5 EFBERN COc1ccc(C=O)cc1CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001651662406 1101363454 /nfs/dbraw/zinc/36/34/54/1101363454.db2.gz KZLFXDLZOCBHQU-UHFFFAOYSA-N 0 0 349.364 2.698 10 5 EFBERN Cn1nccc1CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001651726999 1101372528 /nfs/dbraw/zinc/37/25/28/1101372528.db2.gz XGYXREICWRWWOQ-UHFFFAOYSA-N 0 0 331.763 2.606 10 5 EFBERN Cn1ncc(Br)c1COc1cc(F)ccc1[N+](=O)[O-] ZINC001651720994 1101373922 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EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(O)ccc2Cl)n1 ZINC001652171428 1101447319 /nfs/dbraw/zinc/44/73/19/1101447319.db2.gz NNHDMSJDKQCKLI-UHFFFAOYSA-N 0 0 337.719 2.748 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001626355974 1101448365 /nfs/dbraw/zinc/44/83/65/1101448365.db2.gz KVQLVDDFXUAYCT-LBPRGKRZSA-N 0 0 341.367 2.721 10 5 EFBERN O=C1COc2ccccc2CN1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001652214998 1101453200 /nfs/dbraw/zinc/45/32/00/1101453200.db2.gz VXAIWSXKWQWPPN-UHFFFAOYSA-N 0 0 345.330 2.567 10 5 EFBERN O=c1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)nc(C2CC2)[nH]1 ZINC001652230955 1101456732 /nfs/dbraw/zinc/45/67/32/1101456732.db2.gz AVNGXUFDPPBQCL-UHFFFAOYSA-N 0 0 341.371 2.854 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@@H]2CC3(CCC3)CO2)c1[N+](=O)[O-] ZINC001652239535 1101458617 /nfs/dbraw/zinc/45/86/17/1101458617.db2.gz MDRXTIDJKSBHIX-NSHDSACASA-N 0 0 335.360 2.538 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnn(Cc2cnc(-c3ccccc3)o2)n1 ZINC001652240412 1101459271 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Cc1c(Br)ccc(Oc2nccn(C)c2=O)c1[N+](=O)[O-] ZINC001652277576 1101466432 /nfs/dbraw/zinc/46/64/32/1101466432.db2.gz MSSXZMNSTVTDSU-UHFFFAOYSA-N 0 0 340.133 2.552 10 5 EFBERN Cc1cc(NCCCONC(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC001652279604 1101468637 /nfs/dbraw/zinc/46/86/37/1101468637.db2.gz AYEXZFSVESQQNY-UHFFFAOYSA-N 0 0 326.353 2.557 10 5 EFBERN CS(=O)(=O)c1ccc(N[C@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC001652294329 1101471220 /nfs/dbraw/zinc/47/12/20/1101471220.db2.gz IUDDBKJKHSTSNH-AWEZNQCLSA-N 0 0 347.396 2.883 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ncon1)C1CC1 ZINC001652322593 1101477561 /nfs/dbraw/zinc/47/75/61/1101477561.db2.gz DDJITAVJISXMQE-RNCFNFMXSA-N 0 0 348.384 2.726 10 5 EFBERN Cc1cc(C(=O)N=[S@@](C)(=O)c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC001652343014 1101481663 /nfs/dbraw/zinc/48/16/63/1101481663.db2.gz OILQPWPRXWKPTB-QHCPKHFHSA-N 0 0 333.369 2.783 10 5 EFBERN CCc1onc(C)c1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001652532186 1101510756 /nfs/dbraw/zinc/51/07/56/1101510756.db2.gz CSNJHUPLUMXXOQ-UHFFFAOYSA-N 0 0 337.763 2.966 10 5 EFBERN COc1cc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)ccc1C ZINC001652574836 1101514391 /nfs/dbraw/zinc/51/43/91/1101514391.db2.gz VWWHAMOFHSXABD-UHFFFAOYSA-N 0 0 325.324 2.670 10 5 EFBERN O=C(CCc1ccccc1)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC001652572750 1101515060 /nfs/dbraw/zinc/51/50/60/1101515060.db2.gz YRVWPZSMEKIBIA-UHFFFAOYSA-N 0 0 337.335 2.507 10 5 EFBERN CC(C)(C)OC(=O)n1ccc2ccc(Cn3cnc([N+](=O)[O-])n3)cc21 ZINC001652609440 1101519677 /nfs/dbraw/zinc/51/96/77/1101519677.db2.gz FXRSUGOTGPQWTA-UHFFFAOYSA-N 0 0 343.343 2.973 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC001652626838 1101523799 /nfs/dbraw/zinc/52/37/99/1101523799.db2.gz PHMSBDYWYVTZGA-UHFFFAOYSA-N 0 0 326.696 2.740 10 5 EFBERN COC(=O)c1ccc(OCc2ccc([N+](=O)[O-])c(F)c2)c(C=O)c1 ZINC001652641510 1101526294 /nfs/dbraw/zinc/52/62/94/1101526294.db2.gz XSHRYJFXKAFHFO-UHFFFAOYSA-N 0 0 333.271 2.912 10 5 EFBERN O=[N+]([O-])c1ncccc1CSc1nccn1Cc1ccccn1 ZINC001652658338 1101527588 /nfs/dbraw/zinc/52/75/88/1101527588.db2.gz QXEXKICPLUVIAT-UHFFFAOYSA-N 0 0 327.369 2.922 10 5 EFBERN CS(=O)(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC001652688618 1101531136 /nfs/dbraw/zinc/53/11/36/1101531136.db2.gz JQBVMFAMJOLIDB-UHFFFAOYSA-N 0 0 331.733 2.824 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@H](O)c1ccc(Cl)cc1 ZINC001652717945 1101535948 /nfs/dbraw/zinc/53/59/48/1101535948.db2.gz RHAKQUASURSSKQ-LBPRGKRZSA-N 0 0 329.139 2.797 10 5 EFBERN COC(=O)c1cc(C(=O)COc2cccc(C)c2[N+](=O)[O-])c(C)[nH]1 ZINC001652733519 1101536538 /nfs/dbraw/zinc/53/65/38/1101536538.db2.gz ZYRRAKKLIWKWRW-UHFFFAOYSA-N 0 0 332.312 2.588 10 5 EFBERN O=[N+]([O-])c1ccc(Br)c(COc2cccc[n+]2[O-])c1 ZINC001652735912 1101536951 /nfs/dbraw/zinc/53/69/51/1101536951.db2.gz WBJKOYFTAWVDEO-UHFFFAOYSA-N 0 0 325.118 2.570 10 5 EFBERN CC(C)c1nc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c[nH]1 ZINC001652746668 1101540248 /nfs/dbraw/zinc/54/02/48/1101540248.db2.gz YIMGSXXGBBTIJB-UHFFFAOYSA-N 0 0 336.779 2.954 10 5 EFBERN Cc1oncc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001652752166 1101541473 /nfs/dbraw/zinc/54/14/73/1101541473.db2.gz YXSKPUZSTCKSCI-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccc(F)c(F)c1 ZINC001652789789 1101545472 /nfs/dbraw/zinc/54/54/72/1101545472.db2.gz FLPWKQSKRGDNDM-UHFFFAOYSA-N 0 0 347.277 2.932 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H](O)c1ccccc1 ZINC001652789798 1101546091 /nfs/dbraw/zinc/54/60/91/1101546091.db2.gz GAKIILIIOSJCTL-OAHLLOKOSA-N 0 0 341.323 2.535 10 5 EFBERN Nc1nc(SCc2ccc([N+](=O)[O-])cc2Cl)ncc1[N+](=O)[O-] ZINC001652848766 1101556506 /nfs/dbraw/zinc/55/65/06/1101556506.db2.gz IBOPBJWMFDLGMP-UHFFFAOYSA-N 0 0 341.736 2.821 10 5 EFBERN CN(Cc1cccs1)C(=O)COc1cc([N+](=O)[O-])c(F)cc1F ZINC001652884283 1101562099 /nfs/dbraw/zinc/56/20/99/1101562099.db2.gz BWIXLHGKCGBFEL-UHFFFAOYSA-N 0 0 342.323 2.972 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2csc(-c3ccoc3)n2)c1=O ZINC001652997715 1101575707 /nfs/dbraw/zinc/57/57/07/1101575707.db2.gz GBOSKVDDLFCRAG-UHFFFAOYSA-N 0 0 333.325 2.530 10 5 EFBERN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC001653157783 1101593165 /nfs/dbraw/zinc/59/31/65/1101593165.db2.gz UMNZFMJFPGZLNR-ZFWWWQNUSA-N 0 0 331.416 2.994 10 5 EFBERN Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(N)c1[N+](=O)[O-] ZINC001653214523 1101596355 /nfs/dbraw/zinc/59/63/55/1101596355.db2.gz IZXOBPKQQWRWCW-UHFFFAOYSA-N 0 0 339.307 2.844 10 5 EFBERN CCCn1nc(C)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1C ZINC001653214319 1101596943 /nfs/dbraw/zinc/59/69/43/1101596943.db2.gz FBONSSUPJUZTEI-UHFFFAOYSA-N 0 0 331.376 2.961 10 5 EFBERN Cc1ccc(NC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)c(N)c1[N+](=O)[O-] ZINC001653218390 1101598162 /nfs/dbraw/zinc/59/81/62/1101598162.db2.gz WQUQZGXQHMEIGP-WCBMZHEXSA-N 0 0 347.293 2.924 10 5 EFBERN Cn1nnc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1C(F)F ZINC001653286943 1101607441 /nfs/dbraw/zinc/60/74/41/1101607441.db2.gz ALBNEQPSYOAKSF-UHFFFAOYSA-N 0 0 331.666 2.567 10 5 EFBERN Cc1ncoc1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001653322592 1101608927 /nfs/dbraw/zinc/60/89/27/1101608927.db2.gz AVDRAQSTBVNQRB-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN C[S@@](=O)(=NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001626302002 1101613584 /nfs/dbraw/zinc/61/35/84/1101613584.db2.gz KMOAFVSJPZCPJC-QHCPKHFHSA-N 0 0 336.344 2.960 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001653379189 1101614852 /nfs/dbraw/zinc/61/48/52/1101614852.db2.gz VFAXJONPVONCRY-PWSUYJOCSA-N 0 0 345.355 2.538 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCCO1 ZINC000068351324 1101614879 /nfs/dbraw/zinc/61/48/79/1101614879.db2.gz LDLXVSCCTWMDFB-CMPLNLGQSA-N 0 0 342.779 2.701 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCCO1 ZINC000068351328 1101617040 /nfs/dbraw/zinc/61/70/40/1101617040.db2.gz LDLXVSCCTWMDFB-ZYHUDNBSSA-N 0 0 342.779 2.701 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cl)nc1 ZINC001143376807 1101618096 /nfs/dbraw/zinc/61/80/96/1101618096.db2.gz LKEKVJHBTCARAG-UHFFFAOYSA-N 0 0 327.674 2.851 10 5 EFBERN CC(C)c1nc([C@@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)no1 ZINC001653507483 1101626672 /nfs/dbraw/zinc/62/66/72/1101626672.db2.gz LHMCQHHAALCFRL-ZDUSSCGKSA-N 0 0 334.380 2.525 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)cc2c[nH]nc21 ZINC001653560619 1101630639 /nfs/dbraw/zinc/63/06/39/1101630639.db2.gz IRBMKWWCZGWNKE-UHFFFAOYSA-N 0 0 331.719 2.959 10 5 EFBERN Cc1ccc(CC2CN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)cc1 ZINC001167096771 1101633565 /nfs/dbraw/zinc/63/35/65/1101633565.db2.gz GVJJEHRFDYJURJ-UHFFFAOYSA-N 0 0 325.368 2.921 10 5 EFBERN CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001653609386 1101634381 /nfs/dbraw/zinc/63/43/81/1101634381.db2.gz PNIPUTSFHVFDKP-GDBMZVCRSA-N 0 0 347.415 2.635 10 5 EFBERN CNC(=O)[C@@H]1Cc2ccccc2N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001653727563 1101645652 /nfs/dbraw/zinc/64/56/52/1101645652.db2.gz YFZVMYZAZXLFKG-INIZCTEOSA-N 0 0 345.786 2.926 10 5 EFBERN Cc1cc(NC(=O)[C@@H](C)Oc2cccc(CO)c2)cc([N+](=O)[O-])c1 ZINC001653769814 1101649420 /nfs/dbraw/zinc/64/94/20/1101649420.db2.gz UDAARTSNUMXINU-GFCCVEGCSA-N 0 0 330.340 2.802 10 5 EFBERN CNc1ccc(C(=O)NC[C@@H]2OCc3ccccc32)cc1[N+](=O)[O-] ZINC001653776909 1101649469 /nfs/dbraw/zinc/64/94/69/1101649469.db2.gz VZNIIKCOBPUEIK-INIZCTEOSA-N 0 0 327.340 2.638 10 5 EFBERN CNc1ccc(C(=O)NC[C@H]2OCc3ccccc32)cc1[N+](=O)[O-] ZINC001653776910 1101649781 /nfs/dbraw/zinc/64/97/81/1101649781.db2.gz VZNIIKCOBPUEIK-MRXNPFEDSA-N 0 0 327.340 2.638 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC(CCCO)CC2)o1 ZINC001653859501 1101656828 /nfs/dbraw/zinc/65/68/28/1101656828.db2.gz QEIQOJIXIUPOFF-UHFFFAOYSA-N 0 0 346.387 2.629 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccnc(OC(F)F)c1 ZINC001125311490 1101667095 /nfs/dbraw/zinc/66/70/95/1101667095.db2.gz KFKQDURFGIXYNB-UHFFFAOYSA-N 0 0 337.282 2.564 10 5 EFBERN Cc1noc(CN2CCC(Cc3nc(C(C)C)n[nH]3)CC2)c1[N+](=O)[O-] ZINC001654081404 1101679423 /nfs/dbraw/zinc/67/94/23/1101679423.db2.gz VQQABUUIANIKIX-UHFFFAOYSA-N 0 0 348.407 2.587 10 5 EFBERN CN(CCNC(=O)C1(C2CCCCC2)CC1)c1ncccc1[N+](=O)[O-] ZINC001654212287 1101693065 /nfs/dbraw/zinc/69/30/65/1101693065.db2.gz JEEYRUFSKBVZRL-UHFFFAOYSA-N 0 0 346.431 2.903 10 5 EFBERN CN(CCNC(=O)C(C)(C)C(C)(F)F)c1ccccc1[N+](=O)[O-] ZINC001654212774 1101695339 /nfs/dbraw/zinc/69/53/39/1101695339.db2.gz UMHQCJYXKRCPKA-UHFFFAOYSA-N 0 0 329.347 2.829 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCC[C@H]1CCCCO1 ZINC000784956007 1101698945 /nfs/dbraw/zinc/69/89/45/1101698945.db2.gz LHBCRRCDWRJSPA-LLVKDONJSA-N 0 0 327.308 2.615 10 5 EFBERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1[N+](=O)[O-] ZINC001654445584 1101717635 /nfs/dbraw/zinc/71/76/35/1101717635.db2.gz AZIDMDJRJJGAMQ-KBPBESRZSA-N 0 0 333.388 2.788 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2ccc(F)cc2O)cc1[N+](=O)[O-] ZINC001654439248 1101717953 /nfs/dbraw/zinc/71/79/53/1101717953.db2.gz BPRRGZQBIIKPGK-UHFFFAOYSA-N 0 0 337.282 2.897 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1c[nH]c2ncccc12 ZINC001143377284 1101733188 /nfs/dbraw/zinc/73/31/88/1101733188.db2.gz VAZISXOGWRMPNP-UHFFFAOYSA-N 0 0 332.266 2.679 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC[C@H]3c3ncccn3)nc2c1 ZINC001654682664 1101747235 /nfs/dbraw/zinc/74/72/35/1101747235.db2.gz FELJYLSXZFPVOF-HNNXBMFYSA-N 0 0 338.371 2.988 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC[C@@H]3c3ncccn3)nc2c1 ZINC001654682665 1101747386 /nfs/dbraw/zinc/74/73/86/1101747386.db2.gz FELJYLSXZFPVOF-OAHLLOKOSA-N 0 0 338.371 2.988 10 5 EFBERN Cc1nccnc1[C@@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001654711389 1101749529 /nfs/dbraw/zinc/74/95/29/1101749529.db2.gz FWMRGPFYPWLADY-LLVKDONJSA-N 0 0 340.343 2.594 10 5 EFBERN O=C1NCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1CC1CCCCC1 ZINC001654767288 1101754675 /nfs/dbraw/zinc/75/46/75/1101754675.db2.gz NULIELBXQQDRAN-KRWDZBQOSA-N 0 0 331.416 2.866 10 5 EFBERN 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EFBERN COCCN(CC(F)F)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183629659 235172154 /nfs/dbraw/zinc/17/21/54/235172154.db2.gz GAKATRCWKYZNRU-PKNBQFBNSA-N 0 0 328.315 2.738 10 5 EFBERN Cc1nccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000183770185 235220526 /nfs/dbraw/zinc/22/05/26/235220526.db2.gz QBYIIZRDLUXOJE-UHFFFAOYSA-N 0 0 347.806 2.669 10 5 EFBERN COc1cc(CN2CCC(Cn3cccn3)CC2)c([N+](=O)[O-])cc1F ZINC000184206682 235333121 /nfs/dbraw/zinc/33/31/21/235333121.db2.gz DXJMGDNAKUPXAR-UHFFFAOYSA-N 0 0 348.378 2.851 10 5 EFBERN Cc1cnn([C@H]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)c1 ZINC000105858741 219563225 /nfs/dbraw/zinc/56/32/25/219563225.db2.gz OYJYMNCITFQRIP-AWEZNQCLSA-N 0 0 328.372 2.885 10 5 EFBERN Cn1cc(CCNc2cc(Br)ccc2[N+](=O)[O-])cn1 ZINC000128444193 222949832 /nfs/dbraw/zinc/94/98/32/222949832.db2.gz DZSBWFBSRYTVMF-UHFFFAOYSA-N 0 0 325.166 2.745 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036489479 213099148 /nfs/dbraw/zinc/09/91/48/213099148.db2.gz CCBUMNQQLASJKY-IURRXHLWSA-N 0 0 338.772 2.994 10 5 EFBERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186843766 236039596 /nfs/dbraw/zinc/03/95/96/236039596.db2.gz JPSBOLSHSPDFJY-IUCAKERBSA-N 0 0 333.266 2.546 10 5 EFBERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106894978 283289142 /nfs/dbraw/zinc/28/91/42/283289142.db2.gz AQCRBKYGBZKAGH-CYBMUJFWSA-N 0 0 342.417 2.565 10 5 EFBERN CCC(C)(CC)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000435879416 535369026 /nfs/dbraw/zinc/36/90/26/535369026.db2.gz KCEGDLVOVTUSHK-UHFFFAOYSA-N 0 0 347.371 2.557 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCO[C@@]3(CCOC3)C2)o1 ZINC000187535243 236237901 /nfs/dbraw/zinc/23/79/01/236237901.db2.gz FCGXCPGUGQHSNI-SFHVURJKSA-N 0 0 344.367 2.846 10 5 EFBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCCO1 ZINC000187833044 236311938 /nfs/dbraw/zinc/31/19/38/236311938.db2.gz CHQDKOOZVVXUGV-PWSUYJOCSA-N 0 0 341.795 2.686 10 5 EFBERN CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000071793803 215829773 /nfs/dbraw/zinc/82/97/73/215829773.db2.gz WSRPVXWYCYEVRX-OWCLPIDISA-N 0 0 332.400 2.983 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000071888159 215925916 /nfs/dbraw/zinc/92/59/16/215925916.db2.gz XBQNSCAJZWPXNT-INIZCTEOSA-N 0 0 332.335 2.588 10 5 EFBERN O=c1c([N+](=O)[O-])c(N(Cc2cccs2)C2CC2)nc2ccccn12 ZINC000071904075 215946440 /nfs/dbraw/zinc/94/64/40/215946440.db2.gz WVNQKSCCHVWSPD-UHFFFAOYSA-N 0 0 342.380 2.833 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)c2ccccc21 ZINC000071976920 215986724 /nfs/dbraw/zinc/98/67/24/215986724.db2.gz GALUBYRXYLUOLJ-NSHDSACASA-N 0 0 348.380 2.916 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](c1cccs1)C1CCCC1 ZINC000032397763 212799003 /nfs/dbraw/zinc/79/90/03/212799003.db2.gz YQRPGBYYNXGDGA-HNNXBMFYSA-N 0 0 334.401 2.901 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000353913331 146588338 /nfs/dbraw/zinc/58/83/38/146588338.db2.gz LQUUZLCKQRBDOF-KGLIPLIRSA-N 0 0 348.403 2.713 10 5 EFBERN COc1ccc2oc(=O)c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000000260521 209507115 /nfs/dbraw/zinc/50/71/15/209507115.db2.gz JRYIWKGAHVNLRN-UHFFFAOYSA-N 0 0 340.291 2.962 10 5 EFBERN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000072307724 216145465 /nfs/dbraw/zinc/14/54/65/216145465.db2.gz XWWVRLLJMNZYLN-CYBMUJFWSA-N 0 0 333.367 2.810 10 5 EFBERN O=C([C@@H]1CCCOCC1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000362596646 296022886 /nfs/dbraw/zinc/02/28/86/296022886.db2.gz PCOJAHRVKWOINX-WBMJQRKESA-N 0 0 336.413 2.986 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCc3nc4ccccc4s3)nn21 ZINC000130990752 223193864 /nfs/dbraw/zinc/19/38/64/223193864.db2.gz VKQCRDMJORAYQV-UHFFFAOYSA-N 0 0 340.368 2.902 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(Cn2cccn2)CC1 ZINC000131969495 223288311 /nfs/dbraw/zinc/28/83/11/223288311.db2.gz UCLFUZYOPSBTCQ-UHFFFAOYSA-N 0 0 348.790 2.997 10 5 EFBERN CCn1cnnc1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000132017963 223292366 /nfs/dbraw/zinc/29/23/66/223292366.db2.gz DUSPXNHZCCHYRK-UHFFFAOYSA-N 0 0 344.375 2.618 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000161666860 239074268 /nfs/dbraw/zinc/07/42/68/239074268.db2.gz ZGMKQMDBUDBNHF-HZPDHXFCSA-N 0 0 329.356 2.860 10 5 EFBERN Cc1cc(N[C@H]2CCC(=O)N(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000191562382 239187610 /nfs/dbraw/zinc/18/76/10/239187610.db2.gz SLNBCZZVLIZDTA-VIFPVBQESA-N 0 0 342.193 2.698 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000173362023 239189523 /nfs/dbraw/zinc/18/95/23/239189523.db2.gz RCABOWXSPOMDIO-NWDGAFQWSA-N 0 0 342.417 2.803 10 5 EFBERN COc1ccc(OCCN2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000173531694 239193936 /nfs/dbraw/zinc/19/39/36/239193936.db2.gz DMVZUCMRJAYRDU-UHFFFAOYSA-N 0 0 330.340 2.881 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000175669788 239280048 /nfs/dbraw/zinc/28/00/48/239280048.db2.gz KMPJETSMMJZRIC-GHMZBOCLSA-N 0 0 328.365 2.545 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000176760793 239339344 /nfs/dbraw/zinc/33/93/44/239339344.db2.gz YWTAIBTVSBEGRW-ZDUSSCGKSA-N 0 0 345.355 2.501 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000192696154 239841915 /nfs/dbraw/zinc/84/19/15/239841915.db2.gz PXGQQQIUBTWQOK-OAHLLOKOSA-N 0 0 346.387 2.706 10 5 EFBERN CCCOc1ccc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191545045 239992565 /nfs/dbraw/zinc/99/25/65/239992565.db2.gz XCNSFGFBFFKUMK-UHFFFAOYSA-N 0 0 332.360 2.530 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2OC(F)F)n1 ZINC000191587339 239995791 /nfs/dbraw/zinc/99/57/91/239995791.db2.gz ZZNXLCGXHKSYEL-UHFFFAOYSA-N 0 0 340.286 2.973 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000191572766 239995862 /nfs/dbraw/zinc/99/58/62/239995862.db2.gz DCIUSMAULGZEPC-GFCCVEGCSA-N 0 0 334.763 2.882 10 5 EFBERN CCCCO[C@H]1C[C@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1(C)C ZINC000191654571 240000007 /nfs/dbraw/zinc/00/00/07/240000007.db2.gz XWEQVSLJIGOGTG-STQMWFEESA-N 0 0 338.408 2.525 10 5 EFBERN CCCOc1cccc(CCNC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191679600 240000760 /nfs/dbraw/zinc/00/07/60/240000760.db2.gz IDOODQVVBBYVOB-UHFFFAOYSA-N 0 0 346.387 2.573 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C3CCCCC3)nn2C)n1 ZINC000191674339 240000873 /nfs/dbraw/zinc/00/08/73/240000873.db2.gz DPCYTFZNRASBNB-UHFFFAOYSA-N 0 0 346.391 2.845 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)n1 ZINC000191705632 240003018 /nfs/dbraw/zinc/00/30/18/240003018.db2.gz VBSGJQBTKKHTEF-UHFFFAOYSA-N 0 0 336.735 2.920 10 5 EFBERN CC[C@H]1Cc2ccccc2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191712443 240003091 /nfs/dbraw/zinc/00/30/91/240003091.db2.gz PPISMYRXLVMGBM-AWEZNQCLSA-N 0 0 328.372 2.788 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2(c3ccccc3)CC2)n1 ZINC000191718918 240003111 /nfs/dbraw/zinc/00/31/11/240003111.db2.gz DOJCUHWWKKWGAU-UHFFFAOYSA-N 0 0 328.372 2.615 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cn(-c3ccccc3)nc2C)n1 ZINC000191703868 240003595 /nfs/dbraw/zinc/00/35/95/240003595.db2.gz AGKNXMNRMXHHKJ-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2cccc3ncccc32)n1 ZINC000191690510 240003941 /nfs/dbraw/zinc/00/39/41/240003941.db2.gz VRWRZHODWHCZMS-UHFFFAOYSA-N 0 0 325.328 2.636 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000353917832 146588989 /nfs/dbraw/zinc/58/89/89/146588989.db2.gz XLMOBSDXWLFDBZ-UHFFFAOYSA-N 0 0 348.309 2.536 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000191760639 240005901 /nfs/dbraw/zinc/00/59/01/240005901.db2.gz QNAYGDNPBXYNKX-CQSZACIVSA-N 0 0 344.371 2.797 10 5 EFBERN CCOc1cc(N2CCC[C@@H](c3ccnc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000192757411 240062556 /nfs/dbraw/zinc/06/25/56/240062556.db2.gz XNDFXSTZGUCMRH-GFCCVEGCSA-N 0 0 343.387 2.750 10 5 EFBERN O=C(CNc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000193398426 240104725 /nfs/dbraw/zinc/10/47/25/240104725.db2.gz KQUCOMWGDPFGAG-JTQLQIEISA-N 0 0 331.294 2.808 10 5 EFBERN Cc1nn(CCC(=O)Nc2ccc3cc[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000194824641 240181201 /nfs/dbraw/zinc/18/12/01/240181201.db2.gz DPQVRDIBIMUHOG-UHFFFAOYSA-N 0 0 327.344 2.918 10 5 EFBERN COc1ccc(F)cc1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194919549 240189479 /nfs/dbraw/zinc/18/94/79/240189479.db2.gz ZAVDTAHKZYRSRX-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN O=C(NCc1ccccc1)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195506560 240227439 /nfs/dbraw/zinc/22/74/39/240227439.db2.gz XFCXTPLDJMHTGW-UHFFFAOYSA-N 0 0 346.412 2.584 10 5 EFBERN O=c1ccccn1Cc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000195510675 240227872 /nfs/dbraw/zinc/22/78/72/240227872.db2.gz XCBQMZTWRFWHTK-UHFFFAOYSA-N 0 0 342.380 2.873 10 5 EFBERN C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])s3)cn2)C[C@@H](C)O1 ZINC000195509001 240228648 /nfs/dbraw/zinc/22/86/48/240228648.db2.gz DIJNUURPQRNRNR-GHMZBOCLSA-N 0 0 349.416 2.672 10 5 EFBERN COC[C@@H](C)N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000193631343 240242057 /nfs/dbraw/zinc/24/20/57/240242057.db2.gz YCPKHSLWUXNVTM-CQSZACIVSA-N 0 0 349.431 2.938 10 5 EFBERN Cc1csc([C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000193750303 240294660 /nfs/dbraw/zinc/29/46/60/240294660.db2.gz HXRAYZBWOJRRFZ-ZDUSSCGKSA-N 0 0 348.384 2.965 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]1O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275419837 240752733 /nfs/dbraw/zinc/75/27/33/240752733.db2.gz ABLQHKMYWASWCT-SCLBCKFNSA-N 0 0 336.391 2.984 10 5 EFBERN Cc1cc(NCCCc2nnc[nH]2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000225407515 241849325 /nfs/dbraw/zinc/84/93/25/241849325.db2.gz FTQACMFBPZPDLR-UHFFFAOYSA-N 0 0 339.359 2.523 10 5 EFBERN CCNc1ccc(C(=O)NCCCc2nccs2)cc1[N+](=O)[O-] ZINC000355510547 242037499 /nfs/dbraw/zinc/03/74/99/242037499.db2.gz KHMIWGHGWFXUAL-UHFFFAOYSA-N 0 0 334.401 2.846 10 5 EFBERN Cc1noc(CCNc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000230902389 242264670 /nfs/dbraw/zinc/26/46/70/242264670.db2.gz FOJGHABBAIHIQX-UHFFFAOYSA-N 0 0 327.138 2.703 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](O)C(F)(F)F)c(Br)c1 ZINC000230901603 242264705 /nfs/dbraw/zinc/26/47/05/242264705.db2.gz AXUYPUQITMBFCA-QMMMGPOBSA-N 0 0 329.072 2.692 10 5 EFBERN CS[C@H]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000231561707 242267230 /nfs/dbraw/zinc/26/72/30/242267230.db2.gz JQTRQGPTHRPFQH-UWVGGRQHSA-N 0 0 330.431 2.694 10 5 EFBERN Nc1cc(CC(=O)NCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000408515267 242543540 /nfs/dbraw/zinc/54/35/40/242543540.db2.gz ZTVWMSUPOKBWMI-UHFFFAOYSA-N 0 0 333.775 2.732 10 5 EFBERN CCCN(C(=O)c1nn2c(c1C)OCCC2)c1cccc([N+](=O)[O-])c1 ZINC000410822838 242657430 /nfs/dbraw/zinc/65/74/30/242657430.db2.gz OZGPKVVDCHKXPI-UHFFFAOYSA-N 0 0 344.371 2.939 10 5 EFBERN CC(=O)N1N=C(c2cccnc2)O[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000021091690 212206465 /nfs/dbraw/zinc/20/64/65/212206465.db2.gz VPODVGYNDYMCMW-HNNXBMFYSA-N 0 0 346.730 2.882 10 5 EFBERN CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])o3)O2)cc1 ZINC000021090647 212205644 /nfs/dbraw/zinc/20/56/44/212205644.db2.gz DYSSRTJQCPFEDJ-INIZCTEOSA-N 0 0 345.311 2.826 10 5 EFBERN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC(C)(C)C1 ZINC000411890944 243017536 /nfs/dbraw/zinc/01/75/36/243017536.db2.gz YWBFRWBQGUXHKV-UHFFFAOYSA-N 0 0 333.388 2.879 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@@H](C4CCC4)C3)o2)cc1 ZINC000411866800 243005215 /nfs/dbraw/zinc/00/52/15/243005215.db2.gz WCIFPKBSXLLCTG-OAHLLOKOSA-N 0 0 344.371 2.646 10 5 EFBERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193787042 284039457 /nfs/dbraw/zinc/03/94/57/284039457.db2.gz OBCMLAJNXPXQMR-CYBMUJFWSA-N 0 0 331.303 2.642 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000245854209 243162524 /nfs/dbraw/zinc/16/25/24/243162524.db2.gz CAFCQPVPLMXYHE-UPJWGTAASA-N 0 0 337.445 2.626 10 5 EFBERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000246129935 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DCYFDZKJSLVFNW-SZMHQZGZSA-N 0 0 332.331 2.655 10 5 EFBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC2(C1)CCCOC2 ZINC000451777590 296169262 /nfs/dbraw/zinc/16/92/62/296169262.db2.gz DJHCLAZFXPJIHO-UHFFFAOYSA-N 0 0 344.289 2.866 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCO1 ZINC000045625520 213745408 /nfs/dbraw/zinc/74/54/08/213745408.db2.gz JACZELIGKPTISY-QPUJVOFHSA-N 0 0 343.177 2.655 10 5 EFBERN O=[N+]([O-])c1cccc(N2CCN(c3ccnc(C4CC4)n3)CC2)c1 ZINC000110216409 220024289 /nfs/dbraw/zinc/02/42/89/220024289.db2.gz UPAQAMWZWSKXIA-UHFFFAOYSA-N 0 0 325.372 2.589 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000110404212 220033874 /nfs/dbraw/zinc/03/38/74/220033874.db2.gz PKUPEAPHKZQOCL-GFCCVEGCSA-N 0 0 349.387 2.642 10 5 EFBERN Cc1nn(CCC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000110440680 220036546 /nfs/dbraw/zinc/03/65/46/220036546.db2.gz VQFHECLADCNRQM-HOTGVXAUSA-N 0 0 342.399 2.718 10 5 EFBERN 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EFBERN CSC[C@H](C)Nc1nc(N[C@@H](C)CSC)c([N+](=O)[O-])s1 ZINC000346435717 142204111 /nfs/dbraw/zinc/20/41/11/142204111.db2.gz VLPBJCUGJNSXEY-YUMQZZPRSA-N 0 0 336.508 2.800 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC1(C(F)(F)F)CC1 ZINC000347425435 142214174 /nfs/dbraw/zinc/21/41/74/142214174.db2.gz VMMDEMAQRGWGRD-UHFFFAOYSA-N 0 0 346.309 2.648 10 5 EFBERN O=C(Nc1cc2c(=O)[nH]cnc2cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347503526 142227493 /nfs/dbraw/zinc/22/74/93/142227493.db2.gz GIRQKIZOCUIVNR-UHFFFAOYSA-N 0 0 346.249 2.774 10 5 EFBERN COc1ncccc1N(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347574094 142238508 /nfs/dbraw/zinc/23/85/08/142238508.db2.gz PLIWPSBFQXFEMT-JTQLQIEISA-N 0 0 333.319 2.904 10 5 EFBERN COc1cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000347691446 142257495 /nfs/dbraw/zinc/25/74/95/142257495.db2.gz ZOCJYYPLKNNSOQ-IZHWHUGBSA-N 0 0 348.424 2.813 10 5 EFBERN C[C@H]1CC[C@@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000347766383 142268510 /nfs/dbraw/zinc/26/85/10/142268510.db2.gz BOIUMQKVQAUHQK-LRDDRELGSA-N 0 0 333.388 2.946 10 5 EFBERN CCOC(=O)[C@H](c1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347786246 142271899 /nfs/dbraw/zinc/27/18/99/142271899.db2.gz FNGGYMTUUWAMJV-KRWDZBQOSA-N 0 0 341.367 2.652 10 5 EFBERN Cc1cccc(C)c1NC(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347809968 142274936 /nfs/dbraw/zinc/27/49/36/142274936.db2.gz JMRBBPUDEXIDDD-UHFFFAOYSA-N 0 0 340.383 2.603 10 5 EFBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)NCCc1ccccc1[N+](=O)[O-] ZINC000347836228 142279396 /nfs/dbraw/zinc/27/93/96/142279396.db2.gz RTPNORLJYQSYOC-RDJZCZTQSA-N 0 0 349.431 2.768 10 5 EFBERN CCc1cccc2c1OCC[C@H]2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347864292 142283894 /nfs/dbraw/zinc/28/38/94/142283894.db2.gz CJTHIXONOFTFEM-CYBMUJFWSA-N 0 0 339.355 2.558 10 5 EFBERN COc1cc2c(cc1F)CN(C(=O)c1cccc([N+](=O)[O-])c1N)CC2 ZINC000347887232 142287720 /nfs/dbraw/zinc/28/77/20/142287720.db2.gz IKPUDBAJILGBEP-UHFFFAOYSA-N 0 0 345.330 2.523 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1-n1cccn1 ZINC000347902411 142289658 /nfs/dbraw/zinc/28/96/58/142289658.db2.gz SHRCVRMQIWQZGR-LLVKDONJSA-N 0 0 325.328 2.600 10 5 EFBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1OC(F)F ZINC000347905669 142290846 /nfs/dbraw/zinc/29/08/46/142290846.db2.gz SVERSUIJXDPQRE-VIFPVBQESA-N 0 0 349.297 2.834 10 5 EFBERN CO[C@]1(C)CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000348025551 142310707 /nfs/dbraw/zinc/31/07/07/142310707.db2.gz XUQFIUSOGGLJBH-OAHLLOKOSA-N 0 0 344.314 2.837 10 5 EFBERN Cc1nn(CCC(=O)N[C@@H](C(C)C)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000348059510 142315068 /nfs/dbraw/zinc/31/50/68/142315068.db2.gz QUWKHRHIFBMSBX-LBPRGKRZSA-N 0 0 336.314 2.501 10 5 EFBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccc(F)cn2)CC1 ZINC000349405023 142327856 /nfs/dbraw/zinc/32/78/56/142327856.db2.gz GWOLFGOOJNAATA-HWKANZROSA-N 0 0 342.374 2.964 10 5 EFBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2ccccc2C1 ZINC000349697453 142348761 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Cc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)NCc1cccs1 ZINC000349960505 142383635 /nfs/dbraw/zinc/38/36/35/142383635.db2.gz FJGFGPBIARDZIM-UHFFFAOYSA-N 0 0 333.413 2.713 10 5 EFBERN CCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)nc2cccnc21 ZINC000349988954 142387413 /nfs/dbraw/zinc/38/74/13/142387413.db2.gz NROLLKWCNBNBJH-UHFFFAOYSA-N 0 0 341.327 2.620 10 5 EFBERN COc1cc(COc2ccc3c(c2)CC(=O)N3C)ccc1[N+](=O)[O-] ZINC000352207717 142446611 /nfs/dbraw/zinc/44/66/11/142446611.db2.gz BXQIOJYTOVTROL-UHFFFAOYSA-N 0 0 328.324 2.701 10 5 EFBERN COc1cc(CN2CCC(=O)Nc3ccccc32)ccc1[N+](=O)[O-] ZINC000352527089 142504564 /nfs/dbraw/zinc/50/45/64/142504564.db2.gz WDPIKIXYBNMORV-UHFFFAOYSA-N 0 0 327.340 2.952 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC(C2CCC2)C2CCC2)c1 ZINC000352527778 142504712 /nfs/dbraw/zinc/50/47/12/142504712.db2.gz FCFWRAIUKNOYEK-UHFFFAOYSA-N 0 0 338.429 2.983 10 5 EFBERN COC[C@@H]1CCN(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000337777339 143806512 /nfs/dbraw/zinc/80/65/12/143806512.db2.gz QUDWGNFNIYZQLD-CQSZACIVSA-N 0 0 333.388 2.648 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000338039211 143871282 /nfs/dbraw/zinc/87/12/82/143871282.db2.gz APOKPJPEWXKEMU-SNVBAGLBSA-N 0 0 341.323 2.875 10 5 EFBERN CCOC(=O)C[C@H](C)Sc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360118549 285796268 /nfs/dbraw/zinc/79/62/68/285796268.db2.gz PUUIDUAPMMVXOC-VIFPVBQESA-N 0 0 327.358 2.815 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cn2ccnc2s1 ZINC000338141454 144611008 /nfs/dbraw/zinc/61/10/08/144611008.db2.gz DGEGBWSCLWKSIB-UHFFFAOYSA-N 0 0 330.369 2.619 10 5 EFBERN O=C(NCCc1cnc(C2CC2)nc1)Nc1cccc([N+](=O)[O-])c1 ZINC000339198638 144711285 /nfs/dbraw/zinc/71/12/85/144711285.db2.gz LKQCRHBICDCGQZ-UHFFFAOYSA-N 0 0 327.344 2.626 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC000339765099 144842672 /nfs/dbraw/zinc/84/26/72/144842672.db2.gz VPJCEYBRWIZEMQ-CHWSQXEVSA-N 0 0 336.413 2.714 10 5 EFBERN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cn[nH]c1 ZINC000339817444 144856954 /nfs/dbraw/zinc/85/69/54/144856954.db2.gz NWPISSSBZMRNPJ-VIFPVBQESA-N 0 0 343.368 2.932 10 5 EFBERN CN(CC1CC1)C(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000340604644 144900553 /nfs/dbraw/zinc/90/05/53/144900553.db2.gz CFHPOJPIEIGOHK-UHFFFAOYSA-N 0 0 342.193 2.638 10 5 EFBERN CC(C)(C)c1ccc(NC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000340607986 144901805 /nfs/dbraw/zinc/90/18/05/144901805.db2.gz XXLHGULPARINJN-LLVKDONJSA-N 0 0 326.418 2.739 10 5 EFBERN CCNc1ccc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000340874337 144946501 /nfs/dbraw/zinc/94/65/01/144946501.db2.gz CHSOVJQLOJQMQA-HIFRSBDPSA-N 0 0 333.388 2.668 10 5 EFBERN O=[N+]([O-])c1cnccc1N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000341032667 144976870 /nfs/dbraw/zinc/97/68/70/144976870.db2.gz HJDGKQRGGLXRPF-KRWDZBQOSA-N 0 0 331.347 2.560 10 5 EFBERN C[C@H]1c2ccccc2CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000341056831 144981020 /nfs/dbraw/zinc/98/10/20/144981020.db2.gz ZDTIGYHGOJZPQC-LBPRGKRZSA-N 0 0 349.350 2.893 10 5 EFBERN COc1ncc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000341109789 144993310 /nfs/dbraw/zinc/99/33/10/144993310.db2.gz NNZXJTQIMPQOCH-UHFFFAOYSA-N 0 0 335.747 2.624 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCOc2ccccc21 ZINC000341176327 145006555 /nfs/dbraw/zinc/00/65/55/145006555.db2.gz GEVGVJXGMCYQDP-UHFFFAOYSA-N 0 0 334.278 2.841 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCO2 ZINC000341238184 145019077 /nfs/dbraw/zinc/01/90/77/145019077.db2.gz HUCOMSWZDSITIW-UHFFFAOYSA-N 0 0 327.340 2.894 10 5 EFBERN COC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000341309093 145030790 /nfs/dbraw/zinc/03/07/90/145030790.db2.gz USDJEIFLHADQRY-LLVKDONJSA-N 0 0 328.324 2.872 10 5 EFBERN C[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000341328063 145033740 /nfs/dbraw/zinc/03/37/40/145033740.db2.gz JBRIXRGFFZVPPC-GFCCVEGCSA-N 0 0 341.367 2.788 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCOC[C@H]1CC1CCC1 ZINC000341351103 145038044 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10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000342214838 145081609 /nfs/dbraw/zinc/08/16/09/145081609.db2.gz JCFUYAGIWYEXGR-ZDUSSCGKSA-N 0 0 341.367 2.649 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000342214836 145081695 /nfs/dbraw/zinc/08/16/95/145081695.db2.gz JCFUYAGIWYEXGR-CYBMUJFWSA-N 0 0 341.367 2.649 10 5 EFBERN CC(C)=CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342232664 145084322 /nfs/dbraw/zinc/08/43/22/145084322.db2.gz LZISKFDWHMXVHO-UHFFFAOYSA-N 0 0 333.388 2.913 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000342273836 145091742 /nfs/dbraw/zinc/09/17/42/145091742.db2.gz YABDNWIXSWGCRD-JTQLQIEISA-N 0 0 333.319 2.635 10 5 EFBERN C[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342302068 145096710 /nfs/dbraw/zinc/09/67/10/145096710.db2.gz NZAZIBQXBQCNJD-LBPRGKRZSA-N 0 0 342.355 2.594 10 5 EFBERN CO[C@H](C)CN(C(=O)CSc1ccccc1[N+](=O)[O-])C(C)C ZINC000342323486 145100787 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EFBERN Cc1sc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000342504337 145139766 /nfs/dbraw/zinc/13/97/66/145139766.db2.gz DHNWBZWIRXUGBK-QMMMGPOBSA-N 0 0 340.373 2.821 10 5 EFBERN Cc1cc(F)ccc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000342504251 145139975 /nfs/dbraw/zinc/13/99/75/145139975.db2.gz HZBGYRZZNBVHPI-UHFFFAOYSA-N 0 0 338.360 2.863 10 5 EFBERN C[C@@H](Cc1ccncc1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342523676 145142716 /nfs/dbraw/zinc/14/27/16/145142716.db2.gz KPXBWZBOUDTBPN-JTQLQIEISA-N 0 0 335.310 2.558 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cnc2ccccc2n1 ZINC000342526627 145143348 /nfs/dbraw/zinc/14/33/48/145143348.db2.gz XMIJTCHMXPABQH-UHFFFAOYSA-N 0 0 344.277 2.997 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2ccc3c(c2)COC3)c1[N+](=O)[O-] ZINC000342532751 145143984 /nfs/dbraw/zinc/14/39/84/145143984.db2.gz AMURUXAKDYYKMN-UHFFFAOYSA-N 0 0 329.312 2.859 10 5 EFBERN CO[C@H](C)[C@@H](C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000342562937 145149304 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EFBERN CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc([N+](=O)[O-])nc1 ZINC000344206935 145392888 /nfs/dbraw/zinc/39/28/88/145392888.db2.gz HOHUDQVBSJDLTJ-ZDUSSCGKSA-N 0 0 333.731 2.610 10 5 EFBERN CO[C@H](C)[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344360689 145430704 /nfs/dbraw/zinc/43/07/04/145430704.db2.gz ZKLSEJTWUIJHTN-AEJSXWLSSA-N 0 0 330.768 2.555 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(-n2cccc2)ccn1 ZINC000345394369 145530042 /nfs/dbraw/zinc/53/00/42/145530042.db2.gz QJXAPSOGIUNEDR-UHFFFAOYSA-N 0 0 336.351 2.753 10 5 EFBERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345584737 145571380 /nfs/dbraw/zinc/57/13/80/145571380.db2.gz GYHXFILASXLVKM-UHFFFAOYSA-N 0 0 343.170 2.907 10 5 EFBERN Nc1ccc(-c2noc(C(F)(F)C3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000345652636 145587905 /nfs/dbraw/zinc/58/79/05/145587905.db2.gz DOBYCRJJNZMDSU-UHFFFAOYSA-N 0 0 340.286 2.745 10 5 EFBERN O=C(NCCC1(F)CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000345765377 145615012 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EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000276702427 267037848 /nfs/dbraw/zinc/03/78/48/267037848.db2.gz XKVOIARINJOUKU-CYBMUJFWSA-N 0 0 327.262 2.647 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)C1CCCCC1 ZINC000277020064 267099024 /nfs/dbraw/zinc/09/90/24/267099024.db2.gz FRQBLVDPMFSVRY-KRWDZBQOSA-N 0 0 336.388 2.665 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1CCC2(CC2)CC1 ZINC000277422005 267177753 /nfs/dbraw/zinc/17/77/53/267177753.db2.gz FLVOYFVPLWRYPM-UHFFFAOYSA-N 0 0 328.365 2.735 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000277454157 267182389 /nfs/dbraw/zinc/18/23/89/267182389.db2.gz OIZBJPLYXNDLCJ-OIBJUYFYSA-N 0 0 339.701 2.783 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277487917 267187055 /nfs/dbraw/zinc/18/70/55/267187055.db2.gz ROYSAGUJPYWVFR-JTQLQIEISA-N 0 0 332.278 2.775 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000277550097 267195693 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EFBERN COc1cc(N2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])cc1F ZINC000268177407 277825991 /nfs/dbraw/zinc/82/59/91/277825991.db2.gz KSZYIGHSATZYPD-UHFFFAOYSA-N 0 0 347.346 2.775 10 5 EFBERN COc1ccc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)nn1 ZINC000161787438 277878864 /nfs/dbraw/zinc/87/88/64/277878864.db2.gz BLORFUBWAWWEEP-UHFFFAOYSA-N 0 0 339.311 2.502 10 5 EFBERN COc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cnc1C)C[C@@H](C)O2 ZINC000172720825 277969034 /nfs/dbraw/zinc/96/90/34/277969034.db2.gz NOTOMZYPNWKCKF-SNVBAGLBSA-N 0 0 343.339 2.735 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1=O ZINC000347287835 288020357 /nfs/dbraw/zinc/02/03/57/288020357.db2.gz ASSUWNCQKKQWHR-MRVPVSSYSA-N 0 0 330.262 2.665 10 5 EFBERN CC1(C)[C@@H](O)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000362252059 278428485 /nfs/dbraw/zinc/42/84/85/278428485.db2.gz OBABZPRJLCOFEG-NSHDSACASA-N 0 0 332.278 2.599 10 5 EFBERN CC1=C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430029384 278507364 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EFBERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354388348 278893770 /nfs/dbraw/zinc/89/37/70/278893770.db2.gz DYDKWGWEAVHLKG-CYBMUJFWSA-N 0 0 327.340 2.657 10 5 EFBERN Cc1cncn1C1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000253430227 279028772 /nfs/dbraw/zinc/02/87/72/279028772.db2.gz XZRVYUGACSQTRL-UHFFFAOYSA-N 0 0 328.372 2.885 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114438306 279109315 /nfs/dbraw/zinc/10/93/15/279109315.db2.gz RTSAHAZYWXORCU-QGZVFWFLSA-N 0 0 332.404 2.839 10 5 EFBERN Cc1cc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000056088640 292656828 /nfs/dbraw/zinc/65/68/28/292656828.db2.gz DUAMEBIACOWEHY-UHFFFAOYSA-N 0 0 326.399 2.752 10 5 EFBERN O=C([C@@H]1CCC[C@H](F)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000424543969 280090561 /nfs/dbraw/zinc/09/05/61/280090561.db2.gz MZLKCEISBWXUDG-KGLIPLIRSA-N 0 0 335.379 2.772 10 5 EFBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC12CCOCC2 ZINC000375486339 280187825 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CC[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000432165602 281179237 /nfs/dbraw/zinc/17/92/37/281179237.db2.gz VKYSHFQVRKUGHJ-UGSOOPFHSA-N 0 0 343.383 2.917 10 5 EFBERN CC[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000450495600 281181985 /nfs/dbraw/zinc/18/19/85/281181985.db2.gz VXPOQTKYTFDJEE-UGSOOPFHSA-N 0 0 343.383 2.917 10 5 EFBERN CC[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000413276040 281182042 /nfs/dbraw/zinc/18/20/42/281182042.db2.gz YEEGBLVXXIPCDX-MAUKXSAKSA-N 0 0 343.383 2.917 10 5 EFBERN Cc1nc2c(s1)[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])CCC2 ZINC000367980911 282030793 /nfs/dbraw/zinc/03/07/93/282030793.db2.gz HIULJOYDOHGRBG-NSHDSACASA-N 0 0 332.385 2.749 10 5 EFBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176413755 288387970 /nfs/dbraw/zinc/38/79/70/288387970.db2.gz SWQIFFXIAMKIBK-MLGOLLRUSA-N 0 0 341.367 2.779 10 5 EFBERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176413727 288393521 /nfs/dbraw/zinc/39/35/21/288393521.db2.gz SWQIFFXIAMKIBK-WBMJQRKESA-N 0 0 341.367 2.779 10 5 EFBERN CN(CCCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000559 292687835 /nfs/dbraw/zinc/68/78/35/292687835.db2.gz NIYLJULEHHELPS-UHFFFAOYSA-N 0 0 340.426 2.910 10 5 EFBERN C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000123265727 292977754 /nfs/dbraw/zinc/97/77/54/292977754.db2.gz LQOSJQLHGDNBPC-MRVPVSSYSA-N 0 0 327.768 2.738 10 5 EFBERN Cc1c(CC(=O)N2CCC(=O)Nc3ccccc32)cccc1[N+](=O)[O-] ZINC000123525643 292982105 /nfs/dbraw/zinc/98/21/05/292982105.db2.gz ARTQKXFISJSDAP-UHFFFAOYSA-N 0 0 339.351 2.821 10 5 EFBERN COc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)n1 ZINC000125092896 293005847 /nfs/dbraw/zinc/00/58/47/293005847.db2.gz ZSYNPDUKJWEQQA-UHFFFAOYSA-N 0 0 342.355 2.897 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000125606530 293013096 /nfs/dbraw/zinc/01/30/96/293013096.db2.gz DKOWGCQUMKGSKO-NSHDSACASA-N 0 0 344.415 2.543 10 5 EFBERN O=[N+]([O-])c1ccn(CCn2c3ccccc3nc2C(F)(F)F)n1 ZINC000125655141 293013393 /nfs/dbraw/zinc/01/33/93/293013393.db2.gz RJFRWZBNTDASAU-UHFFFAOYSA-N 0 0 325.250 2.860 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CCCc2nc(-c3ccccc3)no2)c1=O ZINC000127171840 293060962 /nfs/dbraw/zinc/06/09/62/293060962.db2.gz RSJQFDYBVOZIJG-UHFFFAOYSA-N 0 0 340.339 2.748 10 5 EFBERN Cc1[nH]c2ccccc2c1C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000127233327 293063189 /nfs/dbraw/zinc/06/31/89/293063189.db2.gz VSGQUURSBQNNQR-UHFFFAOYSA-N 0 0 325.324 2.738 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCSC ZINC000128848266 293116622 /nfs/dbraw/zinc/11/66/22/293116622.db2.gz FJPSGSGEOHSNQU-UHFFFAOYSA-N 0 0 332.447 2.579 10 5 EFBERN CCC[C@H]1SCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000129469703 293135356 /nfs/dbraw/zinc/13/53/56/293135356.db2.gz PMNBOMJTCHDBRM-CYBMUJFWSA-N 0 0 330.431 2.600 10 5 EFBERN COc1ccccc1CN(CCO)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000130208138 293157705 /nfs/dbraw/zinc/15/77/05/293157705.db2.gz DBQRQBOHXCTTLE-UHFFFAOYSA-N 0 0 344.367 2.547 10 5 EFBERN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000130479301 293167511 /nfs/dbraw/zinc/16/75/11/293167511.db2.gz BSDZXPJTSHZHPE-UHFFFAOYSA-N 0 0 343.339 2.689 10 5 EFBERN C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCOCC1 ZINC000131147093 293188129 /nfs/dbraw/zinc/18/81/29/293188129.db2.gz FRHKGNFRSUOEQO-LLVKDONJSA-N 0 0 344.371 2.986 10 5 EFBERN COc1ccc(CNC(=O)COc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000131763507 293208138 /nfs/dbraw/zinc/20/81/38/293208138.db2.gz FYHKELUMOVZASM-UHFFFAOYSA-N 0 0 330.340 2.607 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)CCC2 ZINC000133210005 293250444 /nfs/dbraw/zinc/25/04/44/293250444.db2.gz UPJXMGAFJRTNNS-UHFFFAOYSA-N 0 0 338.363 2.625 10 5 EFBERN Cc1c(CC(=O)NCCC[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000133751495 293267070 /nfs/dbraw/zinc/26/70/70/293267070.db2.gz TWRKDTJGIFQKCH-RHSMWYFYSA-N 0 0 334.416 2.893 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C)n2)cc1OC ZINC000134172895 293279745 /nfs/dbraw/zinc/27/97/45/293279745.db2.gz DILSEXLSSKJHPQ-UHFFFAOYSA-N 0 0 345.355 2.636 10 5 EFBERN CC(C)(C)c1ccc(C(C)(C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000151710271 293299356 /nfs/dbraw/zinc/29/93/56/293299356.db2.gz YIMWCRKQGDAAGV-UHFFFAOYSA-N 0 0 345.403 2.535 10 5 EFBERN Cc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000151869168 293306090 /nfs/dbraw/zinc/30/60/90/293306090.db2.gz MFQBBQXUZBHYCF-UHFFFAOYSA-N 0 0 326.399 2.584 10 5 EFBERN C[C@H](c1ccccn1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152490638 293336953 /nfs/dbraw/zinc/33/69/53/293336953.db2.gz IKOWKQRONXUILN-GFCCVEGCSA-N 0 0 335.385 2.513 10 5 EFBERN C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000152853862 293350531 /nfs/dbraw/zinc/35/05/31/293350531.db2.gz DRRFBVNSOLDNJP-CJNGLKHVSA-N 0 0 343.387 2.584 10 5 EFBERN C[C@@H](NC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1)c1cccs1 ZINC000153051110 293358771 /nfs/dbraw/zinc/35/87/71/293358771.db2.gz MSPDNSORPVKIQU-GFCCVEGCSA-N 0 0 345.424 2.892 10 5 EFBERN O=C1[C@H](N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccccc1 ZINC000153179381 293364451 /nfs/dbraw/zinc/36/44/51/293364451.db2.gz ROWSLWYAVDGGAT-GOSISDBHSA-N 0 0 337.379 2.758 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153233254 293366962 /nfs/dbraw/zinc/36/69/62/293366962.db2.gz DWVGSXXSGWPIPV-CYBMUJFWSA-N 0 0 325.368 2.980 10 5 EFBERN CCOC(=O)c1nc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cs1 ZINC000153344754 293371462 /nfs/dbraw/zinc/37/14/62/293371462.db2.gz GGKRXAVRIRLOOD-UHFFFAOYSA-N 0 0 347.396 2.786 10 5 EFBERN C[C@H](C(=O)N1CCCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153351436 293372149 /nfs/dbraw/zinc/37/21/49/293372149.db2.gz GGZTYKVKYKPDDI-CQSZACIVSA-N 0 0 331.416 2.744 10 5 EFBERN Cc1cccc(CNC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153388251 293373380 /nfs/dbraw/zinc/37/33/80/293373380.db2.gz YKJCNNGYJAKJKY-UHFFFAOYSA-N 0 0 339.395 2.578 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000153602402 293383937 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2.642 10 5 EFBERN CC(C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155243542 293462814 /nfs/dbraw/zinc/46/28/14/293462814.db2.gz NGMLEKMAVFLOEX-ZDUSSCGKSA-N 0 0 326.418 2.793 10 5 EFBERN C[C@H](COc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000159131029 293596869 /nfs/dbraw/zinc/59/68/69/293596869.db2.gz IIBUXYXKZQQLNU-CQSZACIVSA-N 0 0 343.383 2.838 10 5 EFBERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000246163585 293660611 /nfs/dbraw/zinc/66/06/11/293660611.db2.gz RHCWYDRYQOVFPF-DVOMOZLQSA-N 0 0 348.399 2.847 10 5 EFBERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000246581304 293688165 /nfs/dbraw/zinc/68/81/65/293688165.db2.gz ICTZUIZQUFBCGZ-YUELXQCFSA-N 0 0 337.424 2.551 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C ZINC000248625047 293750504 /nfs/dbraw/zinc/75/05/04/293750504.db2.gz FENKBKYQPSKBFW-VXGBXAGGSA-N 0 0 349.412 2.810 10 5 EFBERN CO[C@@H]1CC[C@@H]2OCCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000364319113 293786715 /nfs/dbraw/zinc/78/67/15/293786715.db2.gz SWCMDCUZQYMUNT-UNEWFSDZSA-N 0 0 343.383 2.916 10 5 EFBERN Cn1nccc1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255295820 293843267 /nfs/dbraw/zinc/84/32/67/293843267.db2.gz LPCISNVJNAEGIH-DAXSKMNVSA-N 0 0 340.383 2.748 10 5 EFBERN C[C@@H]1SCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@H]1C ZINC000290114018 294002825 /nfs/dbraw/zinc/00/28/25/294002825.db2.gz DPAMTDKPCQFAOT-QWRGUYRKSA-N 0 0 333.417 2.721 10 5 EFBERN COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290134608 294007702 /nfs/dbraw/zinc/00/77/02/294007702.db2.gz ZWDRSQKMSYJCMS-QMMMGPOBSA-N 0 0 333.171 2.897 10 5 EFBERN COC(=O)[C@@H](CF)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000290323328 294057070 /nfs/dbraw/zinc/05/70/70/294057070.db2.gz DCWSAYLWIRYDHG-CYBMUJFWSA-N 0 0 338.360 2.924 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](C2CC2)C1 ZINC000290365878 294068021 /nfs/dbraw/zinc/06/80/21/294068021.db2.gz AFZJXQGBXIUSGO-GFCCVEGCSA-N 0 0 332.356 2.628 10 5 EFBERN COCc1nc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])cs1 ZINC000290615338 294136650 /nfs/dbraw/zinc/13/66/50/294136650.db2.gz FYNFGBXCIFBYPZ-UHFFFAOYSA-N 0 0 327.337 2.958 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](n2cc(C)cn2)C1 ZINC000290652764 294147380 /nfs/dbraw/zinc/14/73/80/294147380.db2.gz HWIYTZSFTRWWRL-RKCSUWQLSA-N 0 0 340.383 2.977 10 5 EFBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC=C(COC)CC1 ZINC000290847444 294201766 /nfs/dbraw/zinc/20/17/66/294201766.db2.gz CLZIKADJPMXAPP-UHFFFAOYSA-N 0 0 343.387 2.656 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2cnc(Cl)s2)c1[N+](=O)[O-] ZINC000290882002 294211117 /nfs/dbraw/zinc/21/11/17/294211117.db2.gz BXYZHMURQKPYDN-UHFFFAOYSA-N 0 0 342.764 2.807 10 5 EFBERN COc1cc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000290947106 294228062 /nfs/dbraw/zinc/22/80/62/294228062.db2.gz MHESJPZRVNRSIH-HNNXBMFYSA-N 0 0 343.383 2.715 10 5 EFBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290966509 294233381 /nfs/dbraw/zinc/23/33/81/294233381.db2.gz PFQHNBRGONHNDO-SECBINFHSA-N 0 0 346.391 2.522 10 5 EFBERN CO[C@H](C)CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000342443387 294240768 /nfs/dbraw/zinc/24/07/68/294240768.db2.gz UOELDEVCDBVYFB-SNVBAGLBSA-N 0 0 330.331 2.687 10 5 EFBERN Cn1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000291014477 294247540 /nfs/dbraw/zinc/24/75/40/294247540.db2.gz DPVKDZZZZGPWLX-UHFFFAOYSA-N 0 0 336.298 2.936 10 5 EFBERN COCCC1(C)CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000291115254 294280599 /nfs/dbraw/zinc/28/05/99/294280599.db2.gz CYSJJJAKLOVNOX-UHFFFAOYSA-N 0 0 328.315 2.572 10 5 EFBERN O=C([C@H]1CCCN1CC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000291278676 294333580 /nfs/dbraw/zinc/33/35/80/294333580.db2.gz YONOCDQPNFHASM-GFCCVEGCSA-N 0 0 343.305 2.511 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291358889 294358282 /nfs/dbraw/zinc/35/82/82/294358282.db2.gz XWYHCHRCUXIZQD-LJQANCHMSA-N 0 0 340.379 2.679 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000291409770 294373846 /nfs/dbraw/zinc/37/38/46/294373846.db2.gz JACKHRXVPMVNFC-BDAKNGLRSA-N 0 0 332.809 2.880 10 5 EFBERN CO[C@H](C)[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000291463386 294388745 /nfs/dbraw/zinc/38/87/45/294388745.db2.gz PHPBRMBFERUGQP-NXEZZACHSA-N 0 0 330.768 2.557 10 5 EFBERN O=C([C@H]1CCCN1CC(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000291561079 294414555 /nfs/dbraw/zinc/41/45/55/294414555.db2.gz UNYKIRJVWOOXBY-CYBMUJFWSA-N 0 0 343.305 2.511 10 5 EFBERN O=C([C@@H]1CCCN1CC(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000291561083 294415467 /nfs/dbraw/zinc/41/54/67/294415467.db2.gz UNYKIRJVWOOXBY-ZDUSSCGKSA-N 0 0 343.305 2.511 10 5 EFBERN CC(C)Cn1c(Nc2cnn(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000291586122 294422394 /nfs/dbraw/zinc/42/23/94/294422394.db2.gz PONFYMDGGYFFDZ-UHFFFAOYSA-N 0 0 341.375 2.986 10 5 EFBERN CCC(CC)(CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])OC ZINC000291621580 294433403 /nfs/dbraw/zinc/43/34/03/294433403.db2.gz AUHFIVKTKWHUHI-UHFFFAOYSA-N 0 0 325.365 2.702 10 5 EFBERN CC(C)N(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291699506 294457001 /nfs/dbraw/zinc/45/70/01/294457001.db2.gz UHLBTXFAWVFQQV-NSHDSACASA-N 0 0 344.770 2.956 10 5 EFBERN CC(C)Cn1c(Nc2ccn(C)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000291706756 294459380 /nfs/dbraw/zinc/45/93/80/294459380.db2.gz YRDUCKVBHIBRPD-UHFFFAOYSA-N 0 0 341.375 2.986 10 5 EFBERN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291715266 294461485 /nfs/dbraw/zinc/46/14/85/294461485.db2.gz PMSKPFNYDGGFHI-NEPJUHHUSA-N 0 0 348.325 2.761 10 5 EFBERN COCCn1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])cn1 ZINC000291957422 294533551 /nfs/dbraw/zinc/53/35/51/294533551.db2.gz NYSBZGYOUDVFED-UHFFFAOYSA-N 0 0 327.344 2.598 10 5 EFBERN CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)OC ZINC000292050597 294563690 /nfs/dbraw/zinc/56/36/90/294563690.db2.gz FIRIGOBTVFMTRP-SECBINFHSA-N 0 0 335.143 2.583 10 5 EFBERN Cc1cc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])ncn1 ZINC000292182510 294604651 /nfs/dbraw/zinc/60/46/51/294604651.db2.gz YIPZGKMCMRQFOF-UHFFFAOYSA-N 0 0 332.385 2.955 10 5 EFBERN COC(=O)c1cc(N2CCOC[C@H](C3CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000292362087 294658631 /nfs/dbraw/zinc/65/86/31/294658631.db2.gz RLNZUNHKYWSFHS-CQSZACIVSA-N 0 0 348.399 2.943 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000292562768 294722501 /nfs/dbraw/zinc/72/25/01/294722501.db2.gz NYLQZYLHQBUZCJ-SFYZADRCSA-N 0 0 331.166 2.511 10 5 EFBERN C[C@@]12CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000292922810 294825979 /nfs/dbraw/zinc/82/59/79/294825979.db2.gz SLQRNPWNSZQUKP-DZGCQCFKSA-N 0 0 339.342 2.901 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000292975957 294841586 /nfs/dbraw/zinc/84/15/86/294841586.db2.gz XDAJCMNUPWMEHA-GXTWGEPZSA-N 0 0 326.299 2.721 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000293082722 294873109 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Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3sc(Cl)cc32)n1 ZINC000293741581 295039615 /nfs/dbraw/zinc/03/96/15/295039615.db2.gz RLKUPVUVSJUKKI-QMMMGPOBSA-N 0 0 340.792 2.851 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](C)[C@H]3C)c([N+](=O)[O-])c2)[C@H]1C ZINC000293859376 295065446 /nfs/dbraw/zinc/06/54/46/295065446.db2.gz AHWOXVQUPBELTN-MROQNXINSA-N 0 0 345.399 2.556 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000294032865 295101118 /nfs/dbraw/zinc/10/11/18/295101118.db2.gz FVCFCUUUFAZBBJ-BONVTDFDSA-N 0 0 326.780 2.838 10 5 EFBERN COC(=O)c1coc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000294083805 295108145 /nfs/dbraw/zinc/10/81/45/295108145.db2.gz LQFDGUWVEPWFGK-UHFFFAOYSA-N 0 0 332.312 2.640 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c(C)onc1CC ZINC000294131622 295116028 /nfs/dbraw/zinc/11/60/28/295116028.db2.gz WGEDNISQOGABAJ-UHFFFAOYSA-N 0 0 333.344 2.782 10 5 EFBERN CC[C@H](NC(=O)NCc1cnccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000294158938 295120564 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ZINC000301875783 311164181 /nfs/dbraw/zinc/16/41/81/311164181.db2.gz INGOELCASGLJDX-SNVBAGLBSA-N 0 0 347.337 2.908 10 5 EFBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000301876605 311164228 /nfs/dbraw/zinc/16/42/28/311164228.db2.gz YKGCWZUGQDAMRV-OCBCSQNSSA-N 0 0 343.383 2.916 10 5 EFBERN CNC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C(C)C ZINC000301877717 311164427 /nfs/dbraw/zinc/16/44/27/311164427.db2.gz SWSPLTRDULEQII-HNNXBMFYSA-N 0 0 328.372 2.839 10 5 EFBERN Nc1nc(N2CCCC[C@@H]2CCc2ccccc2)ncc1[N+](=O)[O-] ZINC000301880271 311164527 /nfs/dbraw/zinc/16/45/27/311164527.db2.gz PIDPONRDFAXXDI-CQSZACIVSA-N 0 0 327.388 2.959 10 5 EFBERN CC(C)c1cc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])on1 ZINC000301897282 311165613 /nfs/dbraw/zinc/16/56/13/311165613.db2.gz RCSKHQYCZKPKEP-UHFFFAOYSA-N 0 0 339.373 2.722 10 5 EFBERN Cc1cc(N(C)Cc2nccn2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301909110 311166093 /nfs/dbraw/zinc/16/60/93/311166093.db2.gz FJMYWQCLXYPINH-UHFFFAOYSA-N 0 0 338.371 2.730 10 5 EFBERN CCOc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1OC ZINC000301908756 311166191 /nfs/dbraw/zinc/16/61/91/311166191.db2.gz FHRVAZZRNSTDSY-UHFFFAOYSA-N 0 0 343.343 2.657 10 5 EFBERN C[C@H](Cn1ncc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000301918153 311166720 /nfs/dbraw/zinc/16/67/20/311166720.db2.gz WJORDAZPPPROSG-LLVKDONJSA-N 0 0 342.330 2.944 10 5 EFBERN Cc1cc(C)cc(OCCN(C)c2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301923704 311167010 /nfs/dbraw/zinc/16/70/10/311167010.db2.gz LTCBUCAGIWWNKT-UHFFFAOYSA-N 0 0 341.371 2.770 10 5 EFBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CCc2ccccc21 ZINC000301940444 311168011 /nfs/dbraw/zinc/16/80/11/311168011.db2.gz UHPWTJBGDKPFEF-LBPRGKRZSA-N 0 0 338.371 2.501 10 5 EFBERN Cc1cccc(O[C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301954824 311168608 /nfs/dbraw/zinc/16/86/08/311168608.db2.gz DTFHLTULSQUWQF-GFCCVEGCSA-N 0 0 327.344 2.825 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCC(OC4CCCC4)CC3)nn21 ZINC000301951660 311168618 /nfs/dbraw/zinc/16/86/18/311168618.db2.gz BRFOHZRGAVHDSJ-UHFFFAOYSA-N 0 0 331.376 2.566 10 5 EFBERN COc1ccc([C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)cc1 ZINC000301958425 311168878 /nfs/dbraw/zinc/16/88/78/311168878.db2.gz GKAPVVOFHZKYBQ-ZDUSSCGKSA-N 0 0 339.355 2.640 10 5 EFBERN CNC(=O)COc1cccc(Oc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000301968594 311169392 /nfs/dbraw/zinc/16/93/92/311169392.db2.gz PPNACMWVKYVVPJ-UHFFFAOYSA-N 0 0 337.719 2.560 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(NCCc2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000301975125 311169922 /nfs/dbraw/zinc/16/99/22/311169922.db2.gz BGHGPCOPQVFJGE-UHFFFAOYSA-N 0 0 339.355 2.542 10 5 EFBERN C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301981213 311170188 /nfs/dbraw/zinc/17/01/88/311170188.db2.gz XXRUKZXOYMOTTH-GWCFXTLKSA-N 0 0 345.334 2.701 10 5 EFBERN Cc1cc(N(C)CC(=O)NC(C)(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000301991456 311170557 /nfs/dbraw/zinc/17/05/57/311170557.db2.gz GAIHGPXPBBVZHS-UHFFFAOYSA-N 0 0 330.388 2.802 10 5 EFBERN CCC(=O)N1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000301998867 311171063 /nfs/dbraw/zinc/17/10/63/311171063.db2.gz IKBNNFMDWMGIKU-UHFFFAOYSA-N 0 0 328.372 2.510 10 5 EFBERN COc1cc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)ccc1C ZINC000301992851 311171110 /nfs/dbraw/zinc/17/11/10/311171110.db2.gz NJMRROXLOFONJN-UHFFFAOYSA-N 0 0 327.344 2.609 10 5 EFBERN COc1ccccc1O[C@@H](C)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302005933 311171493 /nfs/dbraw/zinc/17/14/93/311171493.db2.gz TVSOTPXKHWJWMJ-NSHDSACASA-N 0 0 343.343 2.526 10 5 EFBERN CN(C)c1ncc(CN(C)c2ccc([N+](=O)[O-])c3cnccc32)cn1 ZINC000302009234 311171685 /nfs/dbraw/zinc/17/16/85/311171685.db2.gz BRLSMDPXSIRCLP-UHFFFAOYSA-N 0 0 338.371 2.635 10 5 EFBERN COc1ccccc1[C@@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302006110 311171719 /nfs/dbraw/zinc/17/17/19/311171719.db2.gz TZJMGTPFEAUTPB-ZDUSSCGKSA-N 0 0 339.355 2.988 10 5 EFBERN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccccc1F ZINC000302014299 311171913 /nfs/dbraw/zinc/17/19/13/311171913.db2.gz XMUMIRITBWNDQM-JTQLQIEISA-N 0 0 331.307 2.656 10 5 EFBERN CN(C)c1ncc(CN(C)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000302012366 311171980 /nfs/dbraw/zinc/17/19/80/311171980.db2.gz DBMMCALMNBWMJD-UHFFFAOYSA-N 0 0 338.371 2.635 10 5 EFBERN COc1cc(Cl)ccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302010740 311172023 /nfs/dbraw/zinc/17/20/23/311172023.db2.gz WEXJJPAYNPNICR-UHFFFAOYSA-N 0 0 333.735 2.912 10 5 EFBERN CCc1cc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])ccc1C ZINC000302016098 311172212 /nfs/dbraw/zinc/17/22/12/311172212.db2.gz CAPAELOVOMPBHR-UHFFFAOYSA-N 0 0 335.385 2.857 10 5 EFBERN COC(=O)c1ccc(CNc2nccc(C)c2[N+](=O)[O-])nc1C1CC1 ZINC000302022673 311172763 /nfs/dbraw/zinc/17/27/63/311172763.db2.gz IVTADBNZZYBIFA-UHFFFAOYSA-N 0 0 342.355 2.969 10 5 EFBERN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)nc1C1CC1 ZINC000302021362 311172944 /nfs/dbraw/zinc/17/29/44/311172944.db2.gz IDUPLSBNBWFZJX-UHFFFAOYSA-N 0 0 342.355 2.969 10 5 EFBERN COC(=O)c1cc(N(C)C[C@H]2CCCC[C@@H]2O)cc(C)c1[N+](=O)[O-] ZINC000302035994 311173797 /nfs/dbraw/zinc/17/37/97/311173797.db2.gz JWZIUPJQINOGPB-DOMZBBRYSA-N 0 0 336.388 2.677 10 5 EFBERN CCc1nn(C)c(NCCc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000302048140 311174684 /nfs/dbraw/zinc/17/46/84/311174684.db2.gz VWOBINLFRQDMJP-UHFFFAOYSA-N 0 0 328.294 2.963 10 5 EFBERN CC1(C)C[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C(C)(C)O1 ZINC000302061616 311175587 /nfs/dbraw/zinc/17/55/87/311175587.db2.gz RKGCJRBUFSIDDX-ZDUSSCGKSA-N 0 0 335.360 2.684 10 5 EFBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H](O)c1ccc(Cl)s1 ZINC000302064599 311175933 /nfs/dbraw/zinc/17/59/33/311175933.db2.gz TXLAAUAMYSPLQB-LLVKDONJSA-N 0 0 328.777 2.948 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1N1C[C@H]2CCC[C@@]2(C(=O)OC)C1 ZINC000302136021 311179740 /nfs/dbraw/zinc/17/97/40/311179740.db2.gz DEKUASVZYHNZQP-CXAGYDPISA-N 0 0 334.372 2.521 10 5 EFBERN C[C@H]1CCC[C@@H](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302142809 311180161 /nfs/dbraw/zinc/18/01/61/311180161.db2.gz PTGDVTOFMILJFS-RYUDHWBXSA-N 0 0 341.433 2.871 10 5 EFBERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000302154172 311180988 /nfs/dbraw/zinc/18/09/88/311180988.db2.gz IJTLOMAXCWCUKQ-XIKOKIGWSA-N 0 0 341.367 2.923 10 5 EFBERN CCN1C(=O)CCc2cc(Nc3c([N+](=O)[O-])c(C)nn3C)ccc21 ZINC000302171967 311182221 /nfs/dbraw/zinc/18/22/21/311182221.db2.gz UZSUJLLSSGVPOB-UHFFFAOYSA-N 0 0 329.360 2.679 10 5 EFBERN Cc1ccnc(N2CCC(c3noc(C4CC4)n3)CC2)c1[N+](=O)[O-] ZINC000302174431 311182562 /nfs/dbraw/zinc/18/25/62/311182562.db2.gz NNZPBUXHNMZJDL-UHFFFAOYSA-N 0 0 329.360 2.943 10 5 EFBERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c3cccnc31)C2 ZINC000302175111 311182636 /nfs/dbraw/zinc/18/26/36/311182636.db2.gz MSXSDAUYHVGMRM-KPZWWZAWSA-N 0 0 341.367 2.923 10 5 EFBERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c3cnccc31)C2 ZINC000302184799 311183125 /nfs/dbraw/zinc/18/31/25/311183125.db2.gz PADYKJHLCIJCJC-KPZWWZAWSA-N 0 0 341.367 2.923 10 5 EFBERN O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCCN1c1cccnc1 ZINC000302193816 311183736 /nfs/dbraw/zinc/18/37/36/311183736.db2.gz WNTBKISCAAQLEJ-ZDUSSCGKSA-N 0 0 347.762 2.646 10 5 EFBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000302200086 311184066 /nfs/dbraw/zinc/18/40/66/311184066.db2.gz UXVQQSQBGUOMOA-RFAUZJTJSA-N 0 0 326.299 2.653 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccn(CC(F)F)n2)c1 ZINC000302209860 311185032 /nfs/dbraw/zinc/18/50/32/311185032.db2.gz YGVIYKHRDYBMFW-UHFFFAOYSA-N 0 0 326.259 2.587 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(cccc3OC)C2)c1 ZINC000302214792 311185076 /nfs/dbraw/zinc/18/50/76/311185076.db2.gz ZUHGNDYOGFTUJT-UHFFFAOYSA-N 0 0 342.351 2.953 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCOC3(CCCCC3)C2)c1 ZINC000302214385 311185141 /nfs/dbraw/zinc/18/51/41/311185141.db2.gz ZOIGEZLYOOVEOR-UHFFFAOYSA-N 0 0 334.372 2.921 10 5 EFBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[S@@]1=O ZINC000302229482 311186132 /nfs/dbraw/zinc/18/61/32/311186132.db2.gz WHQRFFHTGCORHV-QFIPXVFZSA-N 0 0 326.418 2.731 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC(O)(c2ccc(F)cc2)C1 ZINC000302303601 311188214 /nfs/dbraw/zinc/18/82/14/311188214.db2.gz NQLDUFDRFFKARC-UHFFFAOYSA-N 0 0 339.326 2.990 10 5 EFBERN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCC(C)(C)O2)c1[N+](=O)[O-] ZINC000302377850 311188734 /nfs/dbraw/zinc/18/87/34/311188734.db2.gz GDPZJAROQKOVSI-LLVKDONJSA-N 0 0 339.348 2.673 10 5 EFBERN NC(=O)c1coc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000302466826 311190682 /nfs/dbraw/zinc/19/06/82/311190682.db2.gz VMHWCGKSJICNKP-UHFFFAOYSA-N 0 0 329.234 2.918 10 5 EFBERN CS(=O)(=O)c1ccc(Oc2ccc3c(c2)CCC3=O)c([N+](=O)[O-])c1 ZINC000302517734 311192321 /nfs/dbraw/zinc/19/23/21/311192321.db2.gz HQNGYSTUFSAADS-UHFFFAOYSA-N 0 0 347.348 2.920 10 5 EFBERN CC1(C)CCC[C@](O)(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000302518415 311192327 /nfs/dbraw/zinc/19/23/27/311192327.db2.gz WMTPTJIJUDASML-QGZVFWFLSA-N 0 0 349.387 2.669 10 5 EFBERN CO[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1C ZINC000302553322 311193126 /nfs/dbraw/zinc/19/31/26/311193126.db2.gz KOUNZLQNWMHFLC-GZMMTYOYSA-N 0 0 330.182 2.614 10 5 EFBERN CNC(=O)c1ccc(NCc2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000302558067 311193436 /nfs/dbraw/zinc/19/34/36/311193436.db2.gz YYKILNQEQBHPTP-UHFFFAOYSA-N 0 0 333.319 2.714 10 5 EFBERN CCc1nc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cs1 ZINC000302609148 311194338 /nfs/dbraw/zinc/19/43/38/311194338.db2.gz BELNJFDSZFSFAT-UHFFFAOYSA-N 0 0 334.357 2.557 10 5 EFBERN COC(=O)c1cnc(NC[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302661437 311195429 /nfs/dbraw/zinc/19/54/29/311195429.db2.gz BBYPGCYXWUHDIL-TZMCWYRMSA-N 0 0 327.340 2.992 10 5 EFBERN COC(=O)c1cnc(NC[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302661433 311195471 /nfs/dbraw/zinc/19/54/71/311195471.db2.gz BBYPGCYXWUHDIL-JSGCOSHPSA-N 0 0 327.340 2.992 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccsc1 ZINC000302660801 311195472 /nfs/dbraw/zinc/19/54/72/311195472.db2.gz OXUCFZSFFYARBD-UHFFFAOYSA-N 0 0 326.399 2.714 10 5 EFBERN COCCN1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302672488 311196006 /nfs/dbraw/zinc/19/60/06/311196006.db2.gz LCKRXVPVAQZKSK-GFCCVEGCSA-N 0 0 327.812 2.714 10 5 EFBERN CC[C@H]1CN(c2c(C)cc([N+](=O)[O-])cc2Cl)CCN1C[C@@H](C)O ZINC000302688714 311196655 /nfs/dbraw/zinc/19/66/55/311196655.db2.gz RCGGTLPKMPCNKY-OLZOCXBDSA-N 0 0 341.839 2.838 10 5 EFBERN Cc1nc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000302715332 311197492 /nfs/dbraw/zinc/19/74/92/311197492.db2.gz JEZTUGRTPHSGQI-AWEZNQCLSA-N 0 0 344.346 2.650 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C1CCCCC1 ZINC000302734933 311198455 /nfs/dbraw/zinc/19/84/55/311198455.db2.gz WBPLSBCXQCRAFI-QGZVFWFLSA-N 0 0 335.404 2.698 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@H]1CC[C@@H](OC)C1 ZINC000302779825 311200456 /nfs/dbraw/zinc/20/04/56/311200456.db2.gz QWVVFKNKYLUTTI-GXSJLCMTSA-N 0 0 326.324 2.890 10 5 EFBERN CC(C)Cc1nsc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000302786955 311201373 /nfs/dbraw/zinc/20/13/73/311201373.db2.gz WMWBWNLQXPNTTN-UHFFFAOYSA-N 0 0 334.401 2.912 10 5 EFBERN O=C(c1ccc(F)cc1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302787382 311201389 /nfs/dbraw/zinc/20/13/89/311201389.db2.gz AMIXKYXVPSSEAO-UHFFFAOYSA-N 0 0 347.321 2.835 10 5 EFBERN Cc1cc(NC(=O)C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)no1 ZINC000302789416 311201397 /nfs/dbraw/zinc/20/13/97/311201397.db2.gz DVNVCHPSXXYZBN-UHFFFAOYSA-N 0 0 348.334 2.885 10 5 EFBERN Cc1cc(N2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)n[nH]1 ZINC000302798204 311202035 /nfs/dbraw/zinc/20/20/35/311202035.db2.gz AYNTXHNMMZCRSV-UHFFFAOYSA-N 0 0 335.795 2.915 10 5 EFBERN Cc1cc(C(=O)N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000302819623 311202510 /nfs/dbraw/zinc/20/25/10/311202510.db2.gz OIFYMOMYSLZACU-UHFFFAOYSA-N 0 0 347.346 2.906 10 5 EFBERN O=C(CC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000302818375 311202715 /nfs/dbraw/zinc/20/27/15/311202715.db2.gz NASQTQGXLYTJER-UHFFFAOYSA-N 0 0 335.379 2.963 10 5 EFBERN O=[N+]([O-])c1ccccc1N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302840760 311203851 /nfs/dbraw/zinc/20/38/51/311203851.db2.gz CMSQJYNXULFLTN-UHFFFAOYSA-N 0 0 346.318 2.969 10 5 EFBERN CC[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1CC(F)F ZINC000302889728 311207338 /nfs/dbraw/zinc/20/73/38/311207338.db2.gz OYVXLAFSPOCFQB-LLVKDONJSA-N 0 0 340.374 2.729 10 5 EFBERN Cc1ccccc1OC[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000305443225 311223161 /nfs/dbraw/zinc/22/31/61/311223161.db2.gz NXTBCRVYRRTTHD-MRXNPFEDSA-N 0 0 342.395 2.701 10 5 EFBERN CC(C)[C@](C)(O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000330646349 311326711 /nfs/dbraw/zinc/32/67/11/311326711.db2.gz ZGEIXKVLPNYFPN-LBPRGKRZSA-N 0 0 331.166 2.703 10 5 EFBERN CCC[C@H](C)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330650757 311326873 /nfs/dbraw/zinc/32/68/73/311326873.db2.gz HRXOBWYLIBLMEX-LBPRGKRZSA-N 0 0 325.434 2.850 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000330708156 311330211 /nfs/dbraw/zinc/33/02/11/311330211.db2.gz NJFCEAWROYBCOX-DAXOMENPSA-N 0 0 349.431 2.651 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330708157 311330310 /nfs/dbraw/zinc/33/03/10/311330310.db2.gz NJFCEAWROYBCOX-KCXAZCMYSA-N 0 0 349.431 2.651 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC(C)(C)O)cc2[N+](=O)[O-])C1 ZINC000330978853 311347127 /nfs/dbraw/zinc/34/71/27/311347127.db2.gz IHGSNTAUDBLTEO-CYBMUJFWSA-N 0 0 349.431 2.674 10 5 EFBERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331159296 311358217 /nfs/dbraw/zinc/35/82/17/311358217.db2.gz WOPZWIJOQHDJPR-RKDXNWHRSA-N 0 0 341.314 2.578 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000331258190 311363318 /nfs/dbraw/zinc/36/33/18/311363318.db2.gz FHOJJIQHWGVHPU-CQSZACIVSA-N 0 0 339.823 2.969 10 5 EFBERN C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000334011538 311687571 /nfs/dbraw/zinc/68/75/71/311687571.db2.gz LBEPBZMOYGRQJC-STQMWFEESA-N 0 0 349.431 2.787 10 5 EFBERN CC[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000334106106 311700494 /nfs/dbraw/zinc/70/04/94/311700494.db2.gz OERZGXLCCGMGNY-NFAWXSAZSA-N 0 0 349.431 2.720 10 5 EFBERN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(Cc1csc([N+](=O)[O-])c1)C2=O ZINC000340047183 311716729 /nfs/dbraw/zinc/71/67/29/311716729.db2.gz PIKINYDBTQZJBS-KEODLESXSA-N 0 0 337.401 2.903 10 5 EFBERN CC(C)(C)CC[C@@H]1NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000349371015 311769405 /nfs/dbraw/zinc/76/94/05/311769405.db2.gz QNHMITGGMPQPIM-AWEZNQCLSA-N 0 0 333.388 2.884 10 5 EFBERN O=C1CN(C2CCC2)C(=O)N1CCCCc1ccc([N+](=O)[O-])cc1 ZINC000349432897 311773969 /nfs/dbraw/zinc/77/39/69/311773969.db2.gz YAZXLMMFCDVLLI-UHFFFAOYSA-N 0 0 331.372 2.734 10 5 EFBERN CCOc1ccccc1CCc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350888592 311831943 /nfs/dbraw/zinc/83/19/43/311831943.db2.gz KLPJHTILPSMKDA-UHFFFAOYSA-N 0 0 343.343 2.562 10 5 EFBERN CCOc1ccc(-c2nc(C3(OC)CCOCC3)no2)cc1[N+](=O)[O-] ZINC000351004396 311842587 /nfs/dbraw/zinc/84/25/87/311842587.db2.gz AYRPWFVBNLGQMG-UHFFFAOYSA-N 0 0 349.343 2.696 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3CSc4ccccc4O3)no2)n1 ZINC000351063622 311847898 /nfs/dbraw/zinc/84/78/98/311847898.db2.gz XARRSHOJAVJTRI-SNVBAGLBSA-N 0 0 345.340 2.604 10 5 EFBERN COc1cc(-c2nc([C@@H]3CCOC[C@H]3C)no2)c([N+](=O)[O-])cc1F ZINC000351117836 311854402 /nfs/dbraw/zinc/85/44/02/311854402.db2.gz FVOHFFPAPZPOGV-RKDXNWHRSA-N 0 0 337.307 2.933 10 5 EFBERN CO[C@@H](Cc1ccccc1)c1noc(-c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000351143577 311857761 /nfs/dbraw/zinc/85/77/61/311857761.db2.gz LUDDRRALDPKSEI-LBPRGKRZSA-N 0 0 343.343 2.617 10 5 EFBERN CO[C@H]1COCC[C@@H]1Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000351142233 311857911 /nfs/dbraw/zinc/85/79/11/311857911.db2.gz DOIUUDRKPSMOAQ-RISCZKNCSA-N 0 0 333.344 2.547 10 5 EFBERN Cc1cc(COCc2nc(-c3cc(C)cc([N+](=O)[O-])c3)no2)on1 ZINC000351149334 311858687 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COc1cc(NCc2nn(C)cc2Br)ccc1[N+](=O)[O-] ZINC000393366712 311954899 /nfs/dbraw/zinc/95/48/99/311954899.db2.gz FXGADPCRNVMWCO-UHFFFAOYSA-N 0 0 341.165 2.712 10 5 EFBERN Cc1sc(C(=O)NC[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000412705332 312002946 /nfs/dbraw/zinc/00/29/46/312002946.db2.gz CPJCIGIQJDSWKE-LLVKDONJSA-N 0 0 338.360 2.610 10 5 EFBERN CCc1ccc(C(=O)N2CC(CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000412774726 312011458 /nfs/dbraw/zinc/01/14/58/312011458.db2.gz QAHNVTHEHQBESV-UHFFFAOYSA-N 0 0 340.379 2.543 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000412939632 312039229 /nfs/dbraw/zinc/03/92/29/312039229.db2.gz QLVIDKJJOSEXKP-NWDGAFQWSA-N 0 0 338.429 2.988 10 5 EFBERN O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)c1csc([N+](=O)[O-])c1 ZINC000412952458 312042085 /nfs/dbraw/zinc/04/20/85/312042085.db2.gz XKILRWRKADSRCE-LBPRGKRZSA-N 0 0 335.360 2.804 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](N3CCCC3=O)CC2)n1 ZINC000413577749 312048173 /nfs/dbraw/zinc/04/81/73/312048173.db2.gz YDCIPWVQRDHXSI-AWEZNQCLSA-N 0 0 332.404 2.588 10 5 EFBERN C[C@H](NC(=O)N1CCO[C@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000413579551 312048620 /nfs/dbraw/zinc/04/86/20/312048620.db2.gz YUCRFMSRUQVPTC-LRDDRELGSA-N 0 0 333.388 2.866 10 5 EFBERN CC[C@@H](NC(=O)[C@@H](CC)N1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000415291970 312125815 /nfs/dbraw/zinc/12/58/15/312125815.db2.gz GSTQGJUGFLTNHP-HUUCEWRRSA-N 0 0 333.388 2.563 10 5 EFBERN CO[C@@H](CC(C)C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000415441510 312139731 /nfs/dbraw/zinc/13/97/31/312139731.db2.gz FCKMOVQTLINDMN-INIZCTEOSA-N 0 0 331.372 2.873 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000416488368 312192349 /nfs/dbraw/zinc/19/23/49/312192349.db2.gz MLGKCVNCFSCJHO-SFYZADRCSA-N 0 0 338.307 2.643 10 5 EFBERN Cc1ccc(-c2noc(C3CN(CC(F)(F)F)C3)n2)cc1[N+](=O)[O-] ZINC000420483649 312371090 /nfs/dbraw/zinc/37/10/90/312371090.db2.gz VUXICOAOUIZLPM-UHFFFAOYSA-N 0 0 342.277 2.915 10 5 EFBERN C[C@@]1(c2ccccc2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420601457 312375006 /nfs/dbraw/zinc/37/50/06/312375006.db2.gz NJHNCERRUGNDCK-GOSISDBHSA-N 0 0 325.368 2.862 10 5 EFBERN COC(=O)c1cc(N2CCC[C@@H](CCO)CC2)cc(C)c1[N+](=O)[O-] ZINC000420646048 312378409 /nfs/dbraw/zinc/37/84/09/312378409.db2.gz VNXMUYZWPPSATR-CYBMUJFWSA-N 0 0 336.388 2.679 10 5 EFBERN COC(=O)c1cnc(NC[C@@H]2CC23CCSCC3)c([N+](=O)[O-])c1 ZINC000420653760 312379635 /nfs/dbraw/zinc/37/96/35/312379635.db2.gz OTZXEMDHRUFUFL-NSHDSACASA-N 0 0 337.401 2.722 10 5 EFBERN CNC(=O)c1ccc(NC[C@@H]2CC23CCSCC3)c([N+](=O)[O-])c1 ZINC000420657142 312379988 /nfs/dbraw/zinc/37/99/88/312379988.db2.gz WEUREFJEOSUGMX-LBPRGKRZSA-N 0 0 335.429 2.900 10 5 EFBERN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@@H]1CCC[C@H](F)C1 ZINC000425157027 312516492 /nfs/dbraw/zinc/51/64/92/312516492.db2.gz NRGHKONJDIQGTM-NEPJUHHUSA-N 0 0 332.335 2.874 10 5 EFBERN COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1F ZINC000426827071 312530046 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EFBERN O=[N+]([O-])c1ccccc1CN(Cc1cn(CC2CC2)nn1)C1CC1 ZINC000450601352 312718991 /nfs/dbraw/zinc/71/89/91/312718991.db2.gz PISQITSYNVJQBN-UHFFFAOYSA-N 0 0 327.388 2.761 10 5 EFBERN COC(=O)c1cc(NCc2nn(C)cc2Cl)cc(C)c1[N+](=O)[O-] ZINC000450721346 312732230 /nfs/dbraw/zinc/73/22/30/312732230.db2.gz WOMLAGMMXVIGCC-UHFFFAOYSA-N 0 0 338.751 2.689 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1(CF)CCOCC1 ZINC000450733270 312735031 /nfs/dbraw/zinc/73/50/31/312735031.db2.gz OHMLBZYAHHTMJK-UHFFFAOYSA-N 0 0 340.351 2.868 10 5 EFBERN COC(=O)c1cnc(NC[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450733644 312735097 /nfs/dbraw/zinc/73/50/97/312735097.db2.gz ACPIXTHODWNQTJ-RISCZKNCSA-N 0 0 337.376 2.640 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCO[C@@H](c3ccnn3C)C2)n1 ZINC000450837410 312756110 /nfs/dbraw/zinc/75/61/10/312756110.db2.gz COOHKFGKDODQOS-GXTWGEPZSA-N 0 0 331.376 2.672 10 5 EFBERN CC1(C)COC[C@@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450851242 312758517 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341.289 2.893 10 5 EFBERN O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cn(CC3CC3)nn2)c1 ZINC000453062099 312853083 /nfs/dbraw/zinc/85/30/83/312853083.db2.gz CBECBFBXXJXEBI-UHFFFAOYSA-N 0 0 339.302 2.810 10 5 EFBERN CCN(CC)Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453237537 312883732 /nfs/dbraw/zinc/88/37/32/312883732.db2.gz MYLANUGXDWCAGY-UHFFFAOYSA-N 0 0 331.376 2.845 10 5 EFBERN CCN1C[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000453375611 312894752 /nfs/dbraw/zinc/89/47/52/312894752.db2.gz XHDAVPJREZUBJO-VQIMIIECSA-N 0 0 339.395 2.895 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454783833 312939242 /nfs/dbraw/zinc/93/92/42/312939242.db2.gz PTNWUYRZODJTQQ-ZBFHGGJFSA-N 0 0 347.415 2.910 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454783823 312939488 /nfs/dbraw/zinc/93/94/88/312939488.db2.gz PTNWUYRZODJTQQ-GDBMZVCRSA-N 0 0 347.415 2.910 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456091577 313024707 /nfs/dbraw/zinc/02/47/07/313024707.db2.gz FQUVVROICBGKOP-BJJXKVORSA-N 0 0 336.363 2.890 10 5 EFBERN COc1c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000456096506 313026620 /nfs/dbraw/zinc/02/66/20/313026620.db2.gz IBTJOGIKTCZXLW-XNRPHZJLSA-N 0 0 348.399 2.759 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)n1 ZINC000458025109 313057012 /nfs/dbraw/zinc/05/70/12/313057012.db2.gz XXXUBBMGNCEVIK-UHFFFAOYSA-N 0 0 348.790 2.734 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)NC1CCC(C(F)F)CC1 ZINC000458150798 313080739 /nfs/dbraw/zinc/08/07/39/313080739.db2.gz SUAWHHBPHGQEHS-UHFFFAOYSA-N 0 0 328.315 2.914 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC(C(F)F)CC1 ZINC000458152644 313081489 /nfs/dbraw/zinc/08/14/89/313081489.db2.gz WHXGCVKAFSDUTE-UHFFFAOYSA-N 0 0 328.315 2.914 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 ZINC000458266243 313098919 /nfs/dbraw/zinc/09/89/19/313098919.db2.gz GSUPZZYGOYFFRY-LBPRGKRZSA-N 0 0 348.378 2.719 10 5 EFBERN C[C@](O)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000470613379 313133431 /nfs/dbraw/zinc/13/34/31/313133431.db2.gz NZYGLDKPPUNPMA-SFHVURJKSA-N 0 0 349.431 2.768 10 5 EFBERN O=[N+]([O-])c1ccc(NCCOc2ccc(C(F)(F)F)cn2)cn1 ZINC000471723404 313153525 /nfs/dbraw/zinc/15/35/25/313153525.db2.gz FOWBICMNLDTNRN-UHFFFAOYSA-N 0 0 328.250 2.895 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000474384566 313207771 /nfs/dbraw/zinc/20/77/71/313207771.db2.gz PIKPBGHJNZDKSF-NTZNESFSSA-N 0 0 326.418 2.958 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000474366295 313207807 /nfs/dbraw/zinc/20/78/07/313207807.db2.gz AREXBKWAJZYWSU-KGYLQXTDSA-N 0 0 326.418 2.958 10 5 EFBERN CCOc1cccc(CCNC(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000476436604 313233381 /nfs/dbraw/zinc/23/33/81/313233381.db2.gz OVULOACZKFSBBG-UHFFFAOYSA-N 0 0 344.367 2.975 10 5 EFBERN CCc1ccc(C(=O)Nc2n[nH]c3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000476801037 313237195 /nfs/dbraw/zinc/23/71/95/313237195.db2.gz ZDFNRXFHFIYTFU-UHFFFAOYSA-N 0 0 328.303 2.847 10 5 EFBERN CC(C)[C@H](C)CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477108688 313239987 /nfs/dbraw/zinc/23/99/87/313239987.db2.gz KETVNQACNDPAIN-LLVKDONJSA-N 0 0 329.422 2.549 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000480065131 313278578 /nfs/dbraw/zinc/27/85/78/313278578.db2.gz ZIKMNIVBPIHJKM-GDBMZVCRSA-N 0 0 349.431 2.842 10 5 EFBERN Cc1c(CNC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000480064175 313278974 /nfs/dbraw/zinc/27/89/74/313278974.db2.gz UZYCTQWSJPNSDH-HOTGVXAUSA-N 0 0 347.415 2.861 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[C@H](c4cccc(F)c4)C3)nn21 ZINC000480786060 313283531 /nfs/dbraw/zinc/28/35/31/313283531.db2.gz KSZWGPNVHJMSDX-JSGCOSHPSA-N 0 0 341.346 2.947 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1 ZINC000481607868 313294778 /nfs/dbraw/zinc/29/47/78/313294778.db2.gz CNZGAWVYPYKODG-AULYBMBSSA-N 0 0 332.335 2.626 10 5 EFBERN COC(=O)c1cc(NCC(=O)NC2CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486209444 313335721 /nfs/dbraw/zinc/33/57/21/313335721.db2.gz GLENEPGVYCVRKJ-UHFFFAOYSA-N 0 0 349.387 2.551 10 5 EFBERN Cn1c(=O)ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000487135074 313369574 /nfs/dbraw/zinc/36/95/74/313369574.db2.gz IBHQSIYTXLMGII-UHFFFAOYSA-N 0 0 341.298 2.838 10 5 EFBERN NC(=O)c1ccc(CN2CCc3ccc(F)c(F)c3C2)c([N+](=O)[O-])c1 ZINC000487159417 313371470 /nfs/dbraw/zinc/37/14/70/313371470.db2.gz OEXOHRLSZIFIDO-UHFFFAOYSA-N 0 0 347.321 2.530 10 5 EFBERN Cc1nn(C)c(C(=O)N(C)[C@H](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000487428214 313392979 /nfs/dbraw/zinc/39/29/79/313392979.db2.gz HQZWKHYRMNLQIT-GFCCVEGCSA-N 0 0 330.388 2.648 10 5 EFBERN Cc1ccccc1C[C@H](C)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000487452241 313394392 /nfs/dbraw/zinc/39/43/92/313394392.db2.gz BSPWAMMNSMBFDV-AWEZNQCLSA-N 0 0 330.388 2.579 10 5 EFBERN Cc1ccccc1C[C@@H](C)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000487452247 313394874 /nfs/dbraw/zinc/39/48/74/313394874.db2.gz BSPWAMMNSMBFDV-CQSZACIVSA-N 0 0 330.388 2.579 10 5 EFBERN Cc1ccsc1[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000487628589 313413956 /nfs/dbraw/zinc/41/39/56/313413956.db2.gz LDSWQCUQILFBOH-ZDUSSCGKSA-N 0 0 347.396 2.995 10 5 EFBERN CC[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000487827833 313430940 /nfs/dbraw/zinc/43/09/40/313430940.db2.gz ZUZHGDGYEGDWSQ-HNNXBMFYSA-N 0 0 344.371 2.517 10 5 EFBERN CCN(CC)C(=O)CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487928875 313439468 /nfs/dbraw/zinc/43/94/68/313439468.db2.gz BNEHZDHOVKHOFE-UHFFFAOYSA-N 0 0 330.388 2.625 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCc1cccc(-n2cncn2)c1 ZINC000488082156 313456697 /nfs/dbraw/zinc/45/66/97/313456697.db2.gz CVSWLFYFHAKOKZ-UHFFFAOYSA-N 0 0 346.350 2.758 10 5 EFBERN O=c1[nH]c2ccc(CNc3c4ccccc4ncc3[N+](=O)[O-])cc2[nH]1 ZINC000488119935 313459626 /nfs/dbraw/zinc/45/96/26/313459626.db2.gz DBIYCYLOTZUJRK-UHFFFAOYSA-N 0 0 335.323 2.759 10 5 EFBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000488966104 313530774 /nfs/dbraw/zinc/53/07/74/313530774.db2.gz AWQHWQDDOVNGKI-SECBINFHSA-N 0 0 342.298 2.674 10 5 EFBERN CC(C)(C)c1nnsc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000489725790 313600509 /nfs/dbraw/zinc/60/05/09/313600509.db2.gz BDCNESPAIGHRHE-UHFFFAOYSA-N 0 0 334.401 2.716 10 5 EFBERN CC1(C)CC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)O1 ZINC000492791003 314125949 /nfs/dbraw/zinc/12/59/49/314125949.db2.gz QKPJGRSSTWIIQC-SNVBAGLBSA-N 0 0 344.314 2.884 10 5 EFBERN Cc1nc(C2CCCC2)sc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000492958533 314191697 /nfs/dbraw/zinc/19/16/97/314191697.db2.gz HZMKBRMOWPQJDO-UHFFFAOYSA-N 0 0 349.416 2.644 10 5 EFBERN C[C@H]1C[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1=O ZINC000514896184 315573161 /nfs/dbraw/zinc/57/31/61/315573161.db2.gz ISEVCHKLBRWKTP-NWDGAFQWSA-N 0 0 343.383 2.740 10 5 EFBERN CNc1nccc(C(=O)Nc2sc3c(c2C)CCCC3)c1[N+](=O)[O-] ZINC000515888353 315644533 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O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000521099253 316000273 /nfs/dbraw/zinc/00/02/73/316000273.db2.gz YXJKXBCYDCXPQQ-AWEZNQCLSA-N 0 0 347.758 2.937 10 5 EFBERN Cc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000521383537 316018989 /nfs/dbraw/zinc/01/89/89/316018989.db2.gz FDDINAZQDPRGOM-UHFFFAOYSA-N 0 0 329.356 2.724 10 5 EFBERN Cc1c([C@@H]2C[C@H]2Nc2nc3c(cc2[N+](=O)[O-])CCCC3)cnn1C ZINC000521867741 316048726 /nfs/dbraw/zinc/04/87/26/316048726.db2.gz ORYDZLOADVJOKN-SWLSCSKDSA-N 0 0 327.388 2.879 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cn2c(n1)CCC2 ZINC000522061434 316067792 /nfs/dbraw/zinc/06/77/92/316067792.db2.gz VBMSKXSOGJDULL-UHFFFAOYSA-N 0 0 338.270 2.591 10 5 EFBERN C[C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000522341888 316089433 /nfs/dbraw/zinc/08/94/33/316089433.db2.gz ZROBLHROIPYDEZ-CYBMUJFWSA-N 0 0 329.356 2.679 10 5 EFBERN COC(=O)c1cc(NC(=O)C[C@H](C)n2cccc2)cc([N+](=O)[O-])c1 ZINC000522919367 316104888 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C[C@@H]1C[C@H](C)N1C(=O)c1cc(C(=O)N2[C@@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000527182375 316344213 /nfs/dbraw/zinc/34/42/13/316344213.db2.gz GKVNGVXHDOTLOR-ZDEQEGDKSA-N 0 0 345.399 2.841 10 5 EFBERN O=C(NCc1ncccc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000527264963 316358677 /nfs/dbraw/zinc/35/86/77/316358677.db2.gz JGFZJGDHHSQEOC-UHFFFAOYSA-N 0 0 341.245 2.660 10 5 EFBERN C[C@@H]1C[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000530373907 317115828 /nfs/dbraw/zinc/11/58/28/317115828.db2.gz DFKPAGXWMZFYFU-OCAPTIKFSA-N 0 0 338.307 2.785 10 5 EFBERN CC1CCC(C)(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000530537717 317143711 /nfs/dbraw/zinc/14/37/11/317143711.db2.gz OUHNSXVMSLCYLV-UHFFFAOYSA-N 0 0 341.433 2.871 10 5 EFBERN CCc1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530595084 317152179 /nfs/dbraw/zinc/15/21/79/317152179.db2.gz LLMIIHAFXXUIPL-GFCCVEGCSA-N 0 0 345.321 2.524 10 5 EFBERN CC(C)(C)OCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000530949664 317200248 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CC(C)COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531623711 317292806 /nfs/dbraw/zinc/29/28/06/317292806.db2.gz JZKSYQVTEDMOCI-UHFFFAOYSA-N 0 0 329.356 2.955 10 5 EFBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000531628186 317293270 /nfs/dbraw/zinc/29/32/70/317293270.db2.gz NEDUROPGALKMAD-JTQLQIEISA-N 0 0 335.747 2.841 10 5 EFBERN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1cccc(C)c1 ZINC000531634153 317294136 /nfs/dbraw/zinc/29/41/36/317294136.db2.gz FNILERHJFYPZTG-AWEZNQCLSA-N 0 0 329.356 2.886 10 5 EFBERN O=C(NCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000531631241 317294233 /nfs/dbraw/zinc/29/42/33/317294233.db2.gz PPFSMXMRMQUBSI-UHFFFAOYSA-N 0 0 325.246 2.939 10 5 EFBERN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531635018 317294953 /nfs/dbraw/zinc/29/49/53/317294953.db2.gz OXDUCGBKKGBSTC-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN Cc1ccc(C)c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000531761293 317309695 /nfs/dbraw/zinc/30/96/95/317309695.db2.gz 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CC(C)Oc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000576454958 320016932 /nfs/dbraw/zinc/01/69/32/320016932.db2.gz ASINNJHDVGPDKN-UHFFFAOYSA-N 0 0 345.355 2.586 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(CO[C@@H](C)c2nccn2C)n1 ZINC000576549778 320025916 /nfs/dbraw/zinc/02/59/16/320025916.db2.gz LWIIDKXUFLIEFC-NSHDSACASA-N 0 0 343.343 2.965 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000576909703 320059325 /nfs/dbraw/zinc/05/93/25/320059325.db2.gz XKLXQUCVQRZALF-SECBINFHSA-N 0 0 332.278 2.770 10 5 EFBERN CC[C@H](C)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000577178720 320084921 /nfs/dbraw/zinc/08/49/21/320084921.db2.gz NGUJCOFRDWRPFC-SMDDNHRTSA-N 0 0 336.388 2.540 10 5 EFBERN Cc1ccsc1[C@@H](CO)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577333679 320099056 /nfs/dbraw/zinc/09/90/56/320099056.db2.gz VCVLYIPKPONOGT-BXUZGUMPSA-N 0 0 334.397 2.918 10 5 EFBERN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000577355267 320102674 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COC(=O)c1cc(NC(=O)c2scnc2C2CC2)cc([N+](=O)[O-])c1 ZINC000089812075 472513688 /nfs/dbraw/zinc/51/36/88/472513688.db2.gz LKYQNAPRCXDQQI-UHFFFAOYSA-N 0 0 347.352 2.968 10 5 EFBERN Cc1nn(C)c(C(=O)NCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000098094298 472517236 /nfs/dbraw/zinc/51/72/36/472517236.db2.gz AFYPELYFHSRZFM-UHFFFAOYSA-N 0 0 343.170 2.874 10 5 EFBERN CN(CCc1nccs1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155188536 472518244 /nfs/dbraw/zinc/51/82/44/472518244.db2.gz BXXFPUXXNCXHCA-UHFFFAOYSA-N 0 0 330.369 2.847 10 5 EFBERN Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000077393406 472519473 /nfs/dbraw/zinc/51/94/73/472519473.db2.gz SDMFXYYXYOEFFT-CYBMUJFWSA-N 0 0 348.380 2.624 10 5 EFBERN COc1ccc(O[C@H](C)C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000089835379 472519993 /nfs/dbraw/zinc/51/99/93/472519993.db2.gz WEJNPRRVTPCIHY-CYBMUJFWSA-N 0 0 344.367 2.730 10 5 EFBERN CC(C)C(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000077400211 472520344 /nfs/dbraw/zinc/52/03/44/472520344.db2.gz 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EFBERN C[C@@H]1CCCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000074657902 473040617 /nfs/dbraw/zinc/04/06/17/473040617.db2.gz RDGBOUPNDYHKAW-GFCCVEGCSA-N 0 0 329.360 2.580 10 5 EFBERN Cc1c(C(=O)N2CCCCC[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000074659211 473041136 /nfs/dbraw/zinc/04/11/36/473041136.db2.gz DQBDOUVMDKBYFG-LBPRGKRZSA-N 0 0 343.387 2.889 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NCCCNC(=O)c1ccccc1 ZINC000080609652 473054662 /nfs/dbraw/zinc/05/46/62/473054662.db2.gz OJQVSWSDDKVYKT-UHFFFAOYSA-N 0 0 343.383 2.973 10 5 EFBERN CC(C)CC[C@@](C)(O)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764449 473058390 /nfs/dbraw/zinc/05/83/90/473058390.db2.gz CFBVIIDTJMZJFN-QGZVFWFLSA-N 0 0 337.420 2.624 10 5 EFBERN CC(C)CC[C@](C)(O)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764448 473059040 /nfs/dbraw/zinc/05/90/40/473059040.db2.gz CFBVIIDTJMZJFN-KRWDZBQOSA-N 0 0 337.420 2.624 10 5 EFBERN CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000159772993 473059815 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/nfs/dbraw/zinc/60/98/07/473609807.db2.gz MQPWLXPEWFPMCI-UHFFFAOYSA-N 0 0 348.737 2.663 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172438539 473610978 /nfs/dbraw/zinc/61/09/78/473610978.db2.gz DQGGNWWPUDNSAP-CVEARBPZSA-N 0 0 327.340 2.683 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172438547 473611163 /nfs/dbraw/zinc/61/11/63/473611163.db2.gz DQGGNWWPUDNSAP-HOTGVXAUSA-N 0 0 327.340 2.683 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000170780818 473612914 /nfs/dbraw/zinc/61/29/14/473612914.db2.gz DQJDZBFISXWMHF-MRXNPFEDSA-N 0 0 345.330 2.651 10 5 EFBERN C[C@H]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000115893285 473614094 /nfs/dbraw/zinc/61/40/94/473614094.db2.gz ZCSUPXOSVAFENM-STQMWFEESA-N 0 0 333.388 2.866 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000170801688 473618037 /nfs/dbraw/zinc/61/80/37/473618037.db2.gz CTRTVTSXOYERRT-UHFFFAOYSA-N 0 0 332.341 2.526 10 5 EFBERN CN(Cc1cnccn1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172496263 473624673 /nfs/dbraw/zinc/62/46/73/473624673.db2.gz DRPNECHVHHKFJX-UHFFFAOYSA-N 0 0 343.387 2.549 10 5 EFBERN Cn1cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000116124898 473629048 /nfs/dbraw/zinc/62/90/48/473629048.db2.gz XWKMLFRQNRXKEF-JTQLQIEISA-N 0 0 334.763 2.611 10 5 EFBERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC000116124875 473629367 /nfs/dbraw/zinc/62/93/67/473629367.db2.gz AELKWFVLBFPSJU-LLVKDONJSA-N 0 0 334.763 2.611 10 5 EFBERN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000179124232 473634279 /nfs/dbraw/zinc/63/42/79/473634279.db2.gz OFFRJJJKLOKZNB-MLGOLLRUSA-N 0 0 341.367 2.959 10 5 EFBERN Cc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1[N+](=O)[O-] ZINC000153731892 473639131 /nfs/dbraw/zinc/63/91/31/473639131.db2.gz DUHQVVREOWLBEC-CQSZACIVSA-N 0 0 329.360 2.796 10 5 EFBERN O=C(c1cnn2c1CCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127704991 473643216 /nfs/dbraw/zinc/64/32/16/473643216.db2.gz RTLGREWXLMDVHX-UHFFFAOYSA-N 0 0 340.383 2.932 10 5 EFBERN CSc1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000186319008 473647521 /nfs/dbraw/zinc/64/75/21/473647521.db2.gz WCKIHRUDWQOHRH-GFCCVEGCSA-N 0 0 335.429 2.627 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1ccco1 ZINC000116288767 473647830 /nfs/dbraw/zinc/64/78/30/473647830.db2.gz KYZNCHFTRWMXPD-AWEZNQCLSA-N 0 0 345.355 2.972 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3Cc4ccccc4[C@H]3O)cc2N1 ZINC000170982191 473660050 /nfs/dbraw/zinc/66/00/50/473660050.db2.gz VMUMYYAVCFBTIW-MAUKXSAKSA-N 0 0 339.351 2.550 10 5 EFBERN CCOC(=O)c1nn(C)cc1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186373433 473662410 /nfs/dbraw/zinc/66/24/10/473662410.db2.gz VKUJZVYYSUQDRK-HNNXBMFYSA-N 0 0 346.387 2.746 10 5 EFBERN Cc1ccc(C(=O)N2CCCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000186390894 473666704 /nfs/dbraw/zinc/66/67/04/473666704.db2.gz YMZMCXTUAYJBHM-UHFFFAOYSA-N 0 0 340.383 2.651 10 5 EFBERN CC(C)c1ccc(CN2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000127969923 473669132 /nfs/dbraw/zinc/66/91/32/473669132.db2.gz TVMRFZXAIMMNPI-UHFFFAOYSA-N 0 0 341.415 2.830 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccoc1)C1CCCCC1 ZINC000172672463 473669856 /nfs/dbraw/zinc/66/98/56/473669856.db2.gz YCAVLYGIZMSAFU-UHFFFAOYSA-N 0 0 332.360 2.746 10 5 EFBERN CCN(CC(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186454146 473676398 /nfs/dbraw/zinc/67/63/98/473676398.db2.gz UPSCFPSJAAGAOK-UHFFFAOYSA-N 0 0 328.724 2.524 10 5 EFBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000172727039 473676572 /nfs/dbraw/zinc/67/65/72/473676572.db2.gz DZJZNYZJWPIMDR-LLVKDONJSA-N 0 0 328.324 2.743 10 5 EFBERN Cc1csc([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000186469067 473678621 /nfs/dbraw/zinc/67/86/21/473678621.db2.gz OIWOCLCWFXWSTC-SSDOTTSWSA-N 0 0 347.443 2.503 10 5 EFBERN Cc1csc([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000186469051 473678691 /nfs/dbraw/zinc/67/86/91/473678691.db2.gz OIWOCLCWFXWSTC-ZETCQYMHSA-N 0 0 347.443 2.503 10 5 EFBERN CNC(=O)c1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000172774911 473682550 /nfs/dbraw/zinc/68/25/50/473682550.db2.gz ZWKOSNQAFXDNNW-LLVKDONJSA-N 0 0 339.351 2.546 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1cnn(Cc2ccccc2)c1 ZINC000192499843 473685713 /nfs/dbraw/zinc/68/57/13/473685713.db2.gz CZAXLEDCGABEMQ-UHFFFAOYSA-N 0 0 340.387 2.977 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(Cn2ccnc2)cc1 ZINC000192505070 473686342 /nfs/dbraw/zinc/68/63/42/473686342.db2.gz HTLJVXGKHSEXRG-UHFFFAOYSA-N 0 0 340.387 2.977 10 5 EFBERN Cc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000192532586 473689624 /nfs/dbraw/zinc/68/96/24/473689624.db2.gz OKHWTLBNSSMHJR-LBPRGKRZSA-N 0 0 329.356 2.736 10 5 EFBERN C[C@@H](Oc1cccc(CO)c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000179484348 473689994 /nfs/dbraw/zinc/68/99/94/473689994.db2.gz WSGOBWAXPCRRGY-CYBMUJFWSA-N 0 0 344.367 2.513 10 5 EFBERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000245463261 473705387 /nfs/dbraw/zinc/70/53/87/473705387.db2.gz OOAGUNKZCUQAKG-FVQHAEBGSA-N 0 0 329.400 2.680 10 5 EFBERN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000192685556 473706414 /nfs/dbraw/zinc/70/64/14/473706414.db2.gz KDOBGPWLITUZFV-SECBINFHSA-N 0 0 342.323 2.913 10 5 EFBERN CC(=O)N1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)C1 ZINC000274028579 473710215 /nfs/dbraw/zinc/71/02/15/473710215.db2.gz ZAZYSDYEFAGBCO-LBPRGKRZSA-N 0 0 330.344 2.679 10 5 EFBERN CSc1ccc(C(=O)N(C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000186653604 473714915 /nfs/dbraw/zinc/71/49/15/473714915.db2.gz WQNUVAYPVKHDOE-LBPRGKRZSA-N 0 0 326.418 2.796 10 5 EFBERN Nc1ccc([N+](=O)[O-])c(N2CCC(c3nnc4ccccn43)CC2)c1 ZINC000192767492 473722269 /nfs/dbraw/zinc/72/22/69/473722269.db2.gz AEOIPXBEMLXTRW-UHFFFAOYSA-N 0 0 338.371 2.604 10 5 EFBERN CC(=O)CSCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000192792663 473726932 /nfs/dbraw/zinc/72/69/32/473726932.db2.gz NTMKJGNUFWWDAF-UHFFFAOYSA-N 0 0 347.190 2.618 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1 ZINC000173038495 473731776 /nfs/dbraw/zinc/73/17/76/473731776.db2.gz VVYLZTJXWOLHRF-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[S@](C)=O)c1ccccc1 ZINC000173151430 473755846 /nfs/dbraw/zinc/75/58/46/473755846.db2.gz ANNQQHSLLPCVIN-FYSMJZIKSA-N 0 0 346.408 2.753 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NCc1cnc(N2CCOCC2)c(F)c1 ZINC000274194621 473757489 /nfs/dbraw/zinc/75/74/89/473757489.db2.gz RTQABIAITQAMNO-UHFFFAOYSA-N 0 0 346.362 2.886 10 5 EFBERN CCOC(=O)[C@@H](NCc1csc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000173160132 473758705 /nfs/dbraw/zinc/75/87/05/473758705.db2.gz SNWNPZCXLQUUGW-AWEZNQCLSA-N 0 0 336.369 2.756 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H](CO)CC(C)C)c1 ZINC000281596591 473777708 /nfs/dbraw/zinc/77/77/08/473777708.db2.gz OAOACIIRADUOEK-AWEZNQCLSA-N 0 0 338.404 2.538 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186915585 473779681 /nfs/dbraw/zinc/77/96/81/473779681.db2.gz IEYFKVNSKOISHR-GOSISDBHSA-N 0 0 339.351 2.570 10 5 EFBERN CCc1cccc(CC)c1NC(=O)Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000269355205 473784630 /nfs/dbraw/zinc/78/46/30/473784630.db2.gz KWRPVGIIUGAAGA-UHFFFAOYSA-N 0 0 343.383 2.828 10 5 EFBERN C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000187013695 473801356 /nfs/dbraw/zinc/80/13/56/473801356.db2.gz VWPALXFRLSNGME-SSDOTTSWSA-N 0 0 339.710 2.979 10 5 EFBERN CC(C)C(=O)NC[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000263684041 473805973 /nfs/dbraw/zinc/80/59/73/473805973.db2.gz FYFZPNGUJPLLFT-GFCCVEGCSA-N 0 0 325.434 2.641 10 5 EFBERN CCOc1ccc(C(=O)Nc2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC000173334668 473809008 /nfs/dbraw/zinc/80/90/08/473809008.db2.gz ZHCANBABIQCQCY-UHFFFAOYSA-N 0 0 330.344 2.852 10 5 EFBERN Nc1ccccc1S(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000274430250 473819884 /nfs/dbraw/zinc/81/98/84/473819884.db2.gz GSSLNXGBVWBSJY-UHFFFAOYSA-N 0 0 347.396 2.530 10 5 EFBERN C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180186877 473822083 /nfs/dbraw/zinc/82/20/83/473822083.db2.gz MKHXACAEXBAECP-IRXDYDNUSA-N 0 0 325.368 2.770 10 5 EFBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C12CCCC2 ZINC000187120019 473822123 /nfs/dbraw/zinc/82/21/23/473822123.db2.gz ILPXUINOWTZNLR-UONOGXRCSA-N 0 0 349.387 2.505 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1=O ZINC000193944013 473823211 /nfs/dbraw/zinc/82/32/11/473823211.db2.gz OIBKEMCPFDFZJA-QMMMGPOBSA-N 0 0 330.262 2.665 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187180659 473832295 /nfs/dbraw/zinc/83/22/95/473832295.db2.gz MYSYORNFQKPBBL-WFASDCNBSA-N 0 0 347.396 2.896 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC=C(Br)C1 ZINC000281789173 473837374 /nfs/dbraw/zinc/83/73/74/473837374.db2.gz JSIOYEJTNWENFN-UHFFFAOYSA-N 0 0 340.177 2.789 10 5 EFBERN CCc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000173434089 473838026 /nfs/dbraw/zinc/83/80/26/473838026.db2.gz QVPNRPLTMYCMRC-CQSZACIVSA-N 0 0 328.372 2.520 10 5 EFBERN CN(CC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000173445909 473840851 /nfs/dbraw/zinc/84/08/51/473840851.db2.gz KUFCYSGZBLXCKG-AWEZNQCLSA-N 0 0 343.387 2.508 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000173450329 473842527 /nfs/dbraw/zinc/84/25/27/473842527.db2.gz OYNYTOOFQGOSOX-LLVKDONJSA-N 0 0 330.388 2.615 10 5 EFBERN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)o1 ZINC000173614465 473890868 /nfs/dbraw/zinc/89/08/68/473890868.db2.gz XQRYMQGTWVZDAY-GXTWGEPZSA-N 0 0 346.387 2.947 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H](C2CC2)C1 ZINC000288286325 473898330 /nfs/dbraw/zinc/89/83/30/473898330.db2.gz FPHSVMVFAHAWKX-HNNXBMFYSA-N 0 0 338.429 2.589 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000288321939 473909433 /nfs/dbraw/zinc/90/94/33/473909433.db2.gz DGXCUWKNVKNYHJ-CYBMUJFWSA-N 0 0 345.403 2.819 10 5 EFBERN Cc1cc(C(=O)Nc2cn(Cc3ccccc3)nn2)cc([N+](=O)[O-])c1 ZINC000194539251 473914147 /nfs/dbraw/zinc/91/41/47/473914147.db2.gz NEWKYXHQCRSUAV-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN CC(=O)c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000180596053 473915916 /nfs/dbraw/zinc/91/59/16/473915916.db2.gz SAJZNIVYGKJAHN-UHFFFAOYSA-N 0 0 336.735 2.676 10 5 EFBERN Nc1c(F)c(N2CCC[C@H](c3nncn3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000274710795 473930844 /nfs/dbraw/zinc/93/08/44/473930844.db2.gz XXCGWVZPBHUQRC-JTQLQIEISA-N 0 0 346.366 2.627 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NCc2cccc(N3CCOCC3)n2)c1 ZINC000274725411 473934343 /nfs/dbraw/zinc/93/43/43/473934343.db2.gz APGLKEOWCYOBBD-UHFFFAOYSA-N 0 0 328.372 2.747 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000194664484 473936389 /nfs/dbraw/zinc/93/63/89/473936389.db2.gz SIKDJHJKWHDDDI-GFCCVEGCSA-N 0 0 333.369 2.573 10 5 EFBERN CCc1ccc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000288456226 473948413 /nfs/dbraw/zinc/94/84/13/473948413.db2.gz UAOHYOMYFSXYTP-QGZVFWFLSA-N 0 0 328.368 2.929 10 5 EFBERN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000274788019 473959331 /nfs/dbraw/zinc/95/93/31/473959331.db2.gz MTHIINOFYXHKSD-CQSZACIVSA-N 0 0 342.399 2.677 10 5 EFBERN Cc1noc(C)c1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000264359240 473960461 /nfs/dbraw/zinc/96/04/61/473960461.db2.gz APNJLMJDFUBDIX-UHFFFAOYSA-N 0 0 328.328 2.653 10 5 EFBERN CCCCOc1cccc(CNC(=O)Cn2cc(C)c([N+](=O)[O-])n2)c1 ZINC000282164488 473966979 /nfs/dbraw/zinc/96/69/79/473966979.db2.gz DGDJFBMHKSSEQK-UHFFFAOYSA-N 0 0 346.387 2.595 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC=C(Br)C2)c([N+](=O)[O-])c1 ZINC000282185359 473974884 /nfs/dbraw/zinc/97/48/84/473974884.db2.gz FXHXWYBBMMKQHG-UHFFFAOYSA-N 0 0 342.149 2.988 10 5 EFBERN O=C(NCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000195001277 473990289 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COc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000352415670 475272458 /nfs/dbraw/zinc/27/24/58/475272458.db2.gz OYRZFBYBTVQWOT-ZDUSSCGKSA-N 0 0 336.779 2.900 10 5 EFBERN CO[C@H](C)CN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000354589061 475273112 /nfs/dbraw/zinc/27/31/12/475273112.db2.gz RWDMHQVPUAOQHJ-GFCCVEGCSA-N 0 0 344.433 2.646 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cccc(OC)c2F)cc([N+](=O)[O-])c1 ZINC000341757879 475278343 /nfs/dbraw/zinc/27/83/43/475278343.db2.gz WMWGDWGOWGFWFT-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000361223681 475282547 /nfs/dbraw/zinc/28/25/47/475282547.db2.gz GGNNHRSBBUOHJG-UHFFFAOYSA-N 0 0 332.335 2.820 10 5 EFBERN COc1cccc(C(=O)N2CC(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000361225808 475282961 /nfs/dbraw/zinc/28/29/61/475282961.db2.gz XKZQGNBENVIGFI-UHFFFAOYSA-N 0 0 330.315 2.982 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC(c2ccccc2F)C1 ZINC000361227029 475285605 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Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3F)cs2)n1 ZINC000357961890 475296297 /nfs/dbraw/zinc/29/62/97/475296297.db2.gz AMZDMUSTLWOXKB-UHFFFAOYSA-N 0 0 347.331 2.843 10 5 EFBERN CN(Cc1c(Cl)cccc1Cl)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357964605 475298095 /nfs/dbraw/zinc/29/80/95/475298095.db2.gz OLGLMGLRTRUVOH-UHFFFAOYSA-N 0 0 343.170 2.907 10 5 EFBERN CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341784744 475300075 /nfs/dbraw/zinc/30/00/75/475300075.db2.gz DDQGIWKTPCQLCT-UHFFFAOYSA-N 0 0 342.417 2.654 10 5 EFBERN Cc1cccc2[nH]c(CNc3ncnc4cccc([N+](=O)[O-])c43)nc21 ZINC000347409462 475304874 /nfs/dbraw/zinc/30/48/74/475304874.db2.gz CHSBUGSKZGRYAM-UHFFFAOYSA-N 0 0 334.339 2.757 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C(C)C)C(F)(F)F ZINC000345616301 475309512 /nfs/dbraw/zinc/30/95/12/475309512.db2.gz WFZCPGHZIZRPSR-LLVKDONJSA-N 0 0 340.323 2.768 10 5 EFBERN Cc1nc(C2(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCCC2)no1 ZINC000361270574 475316470 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CC[C@@H](NC(=O)NCCc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000358035267 475352242 /nfs/dbraw/zinc/35/22/42/475352242.db2.gz IBSVQCSTVQWJSO-CYBMUJFWSA-N 0 0 349.416 2.748 10 5 EFBERN COC(=O)c1nc(N(C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000337822490 475354483 /nfs/dbraw/zinc/35/44/83/475354483.db2.gz RKEVYGANHRIDOL-UHFFFAOYSA-N 0 0 335.385 2.825 10 5 EFBERN CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000296541000 475362256 /nfs/dbraw/zinc/36/22/56/475362256.db2.gz XSLBLLDJHUHBQW-ZDUSSCGKSA-N 0 0 335.404 2.541 10 5 EFBERN Cc1csc([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000348097986 475386617 /nfs/dbraw/zinc/38/66/17/475386617.db2.gz XPBTXSMONLURQR-LLVKDONJSA-N 0 0 334.401 2.957 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1ccccc1F ZINC000345712553 475387168 /nfs/dbraw/zinc/38/71/68/475387168.db2.gz LVLJUPIYDDBQLJ-UHFFFAOYSA-N 0 0 347.346 2.975 10 5 EFBERN CC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000345715366 475389876 /nfs/dbraw/zinc/38/98/76/475389876.db2.gz IKBZKGPYWUUZBJ-JTQLQIEISA-N 0 0 326.296 2.522 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CC(F)F)CC1CCC1 ZINC000352540195 475393940 /nfs/dbraw/zinc/39/39/40/475393940.db2.gz HZQRNILMLOQERU-UHFFFAOYSA-N 0 0 342.298 2.831 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[C@H]1C ZINC000354776440 475400266 /nfs/dbraw/zinc/40/02/66/475400266.db2.gz YHABUCRDOLNFMJ-VXGBXAGGSA-N 0 0 342.417 2.708 10 5 EFBERN C[C@@H](NC(=O)N[C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000341912054 475406504 /nfs/dbraw/zinc/40/65/04/475406504.db2.gz BAHABKXBYOYYRD-IUODEOHRSA-N 0 0 329.356 2.689 10 5 EFBERN CCN(CC(=O)OC)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000341926055 475417908 /nfs/dbraw/zinc/41/79/08/475417908.db2.gz JCCLPNWTHADDRM-UHFFFAOYSA-N 0 0 340.401 2.730 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2cnn(C(C)(C)C)c2)c1[N+](=O)[O-] ZINC000341928956 475422177 /nfs/dbraw/zinc/42/21/77/475422177.db2.gz NLQUUXFCUIJZTO-UHFFFAOYSA-N 0 0 333.348 2.780 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)C(=O)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000341933661 475426522 /nfs/dbraw/zinc/42/65/22/475426522.db2.gz HXSVJQVRSVWFJU-ZDUSSCGKSA-N 0 0 326.352 2.833 10 5 EFBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC000341959124 475451373 /nfs/dbraw/zinc/45/13/73/475451373.db2.gz VXHARQXVAYNJLI-NSHDSACASA-N 0 0 330.315 2.664 10 5 EFBERN Cc1ccncc1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361444587 475456342 /nfs/dbraw/zinc/45/63/42/475456342.db2.gz RNYHUMWQQXNQFS-ZDUSSCGKSA-N 0 0 328.372 2.757 10 5 EFBERN COC[C@H]1CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000296760234 475464750 /nfs/dbraw/zinc/46/47/50/475464750.db2.gz IUYGHWVYICJFFV-SECBINFHSA-N 0 0 333.266 2.866 10 5 EFBERN Cc1c(CC(=O)N[C@H](C)C(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000341974018 475465001 /nfs/dbraw/zinc/46/50/01/475465001.db2.gz RZWJCJXWLMHBLV-CQSZACIVSA-N 0 0 340.379 2.762 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOC[C@@H]1CC1CCC1 ZINC000339768300 475484448 /nfs/dbraw/zinc/48/44/48/475484448.db2.gz GDEGDORSUIBJBH-INIZCTEOSA-N 0 0 347.415 2.733 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCOC[C@@H]2CC2CCC2)c2c(c1)COCO2 ZINC000339779080 475494414 /nfs/dbraw/zinc/49/44/14/475494414.db2.gz URFLTUPQTCFAAG-KRWDZBQOSA-N 0 0 348.399 2.852 10 5 EFBERN C[C@H]1[C@@H](C(F)(F)F)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228313 475504260 /nfs/dbraw/zinc/50/42/60/475504260.db2.gz KKDOVFOHOHTXEG-UWVGGRQHSA-N 0 0 331.294 2.806 10 5 EFBERN O=C(NCC[C@H]1CCOC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000345853559 475510147 /nfs/dbraw/zinc/51/01/47/475510147.db2.gz KEGOFYFQDXAASC-ZDUSSCGKSA-N 0 0 333.388 2.695 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000345853558 475510235 /nfs/dbraw/zinc/51/02/35/475510235.db2.gz KEGOFYFQDXAASC-CYBMUJFWSA-N 0 0 333.388 2.695 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237213 475513411 /nfs/dbraw/zinc/51/34/11/475513411.db2.gz YKXYGMVLBONGIV-ZWNOBZJWSA-N 0 0 345.321 2.830 10 5 EFBERN COC(=O)c1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000338021909 475513545 /nfs/dbraw/zinc/51/35/45/475513545.db2.gz NQRISMOZVCTUOX-UHFFFAOYSA-N 0 0 342.351 2.962 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCOC1 ZINC000345859491 475515508 /nfs/dbraw/zinc/51/55/08/475515508.db2.gz NYWBBVJWJZFXOD-HNNXBMFYSA-N 0 0 335.404 2.941 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cncn1 ZINC000342046607 475529534 /nfs/dbraw/zinc/52/95/34/475529534.db2.gz SMBFPUOVHHEBRE-NSHDSACASA-N 0 0 349.416 2.505 10 5 EFBERN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000352687285 475531840 /nfs/dbraw/zinc/53/18/40/475531840.db2.gz VNQSNORXIWGONY-VXGBXAGGSA-N 0 0 348.321 2.596 10 5 EFBERN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000338038633 475534515 /nfs/dbraw/zinc/53/45/15/475534515.db2.gz JZBMDTSRVLNEBK-UHFFFAOYSA-N 0 0 341.367 2.889 10 5 EFBERN C[C@]1(F)CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000296922824 475537514 /nfs/dbraw/zinc/53/75/14/475537514.db2.gz FUGHKPCAYQLPEZ-LBPRGKRZSA-N 0 0 336.772 2.761 10 5 EFBERN CCNC(=O)[C@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352702256 475546044 /nfs/dbraw/zinc/54/60/44/475546044.db2.gz USDQOIUQGWAFNY-GUYCJALGSA-N 0 0 327.384 2.798 10 5 EFBERN CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352702255 475546542 /nfs/dbraw/zinc/54/65/42/475546542.db2.gz USDQOIUQGWAFNY-DYVFJYSZSA-N 0 0 327.384 2.798 10 5 EFBERN CCN(CCCO)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000339837258 475547630 /nfs/dbraw/zinc/54/76/30/475547630.db2.gz KVEAXUYYTOCAPO-CQSZACIVSA-N 0 0 349.431 2.676 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000358276662 475554191 /nfs/dbraw/zinc/55/41/91/475554191.db2.gz JOPRSZFSTLXCGJ-OCCSQVGLSA-N 0 0 343.387 2.626 10 5 EFBERN C/C=C/C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000361569294 475556759 /nfs/dbraw/zinc/55/67/59/475556759.db2.gz SFGYDSYUVCUONH-MASHWEEQSA-N 0 0 340.763 2.876 10 5 EFBERN C/C=C/C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000361569293 475556951 /nfs/dbraw/zinc/55/69/51/475556951.db2.gz SFGYDSYUVCUONH-LQPUYASZSA-N 0 0 340.763 2.876 10 5 EFBERN C[C@H](NC(=O)N[C@H](CO)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000338062736 475557249 /nfs/dbraw/zinc/55/72/49/475557249.db2.gz NWBFYBUQTMOMKU-JSGCOSHPSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]2C(F)(F)F)c1C ZINC000352735182 475575830 /nfs/dbraw/zinc/57/58/30/475575830.db2.gz NQYCWPMSNVBVLI-JTQLQIEISA-N 0 0 338.307 2.537 10 5 EFBERN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cn[nH]c1 ZINC000339878871 475586437 /nfs/dbraw/zinc/58/64/37/475586437.db2.gz NQJXTFFORNQNQV-CYBMUJFWSA-N 0 0 346.390 2.755 10 5 EFBERN COC(=O)c1cc(CNc2ncc([N+](=O)[O-])cc2Cl)oc1C ZINC000346412521 475599199 /nfs/dbraw/zinc/59/91/99/475599199.db2.gz NHZNRQSDSADLGT-UHFFFAOYSA-N 0 0 325.708 2.943 10 5 EFBERN CCOc1cccc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000342439269 475601475 /nfs/dbraw/zinc/60/14/75/475601475.db2.gz YILAFGVFSIQAIK-UHFFFAOYSA-N 0 0 336.369 2.504 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Cl)cn1 ZINC000348405147 475645237 /nfs/dbraw/zinc/64/52/37/475645237.db2.gz UEOZJVKGFUZNPA-UHFFFAOYSA-N 0 0 335.747 2.972 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOCC1 ZINC000346547996 475648521 /nfs/dbraw/zinc/64/85/21/475648521.db2.gz IJFRBQSAHYPFCI-GFCCVEGCSA-N 0 0 326.780 2.724 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2ccc(NC(C)=O)cc2)c1[N+](=O)[O-] ZINC000339970646 475650232 /nfs/dbraw/zinc/65/02/32/475650232.db2.gz KTPWILLUBCKUBY-UHFFFAOYSA-N 0 0 344.327 2.787 10 5 EFBERN CCOc1ccc(C(=O)Nc2cccc([S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000346566426 475663361 /nfs/dbraw/zinc/66/33/61/475663361.db2.gz FRUFJTPIVVPNLR-DEOSSOPVSA-N 0 0 348.380 2.983 10 5 EFBERN Cc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])sc2nccn12 ZINC000348435547 475665840 /nfs/dbraw/zinc/66/58/40/475665840.db2.gz BZBTVQBQRGBODI-UHFFFAOYSA-N 0 0 328.353 2.815 10 5 EFBERN C[C@@H]1COCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000346580395 475675268 /nfs/dbraw/zinc/67/52/68/475675268.db2.gz UEWVFVWVEDAZPA-MFKMUULPSA-N 0 0 326.780 2.580 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000348456700 475678975 /nfs/dbraw/zinc/67/89/75/475678975.db2.gz RCGOAWMFRNJFLO-CYBMUJFWSA-N 0 0 331.332 2.544 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2cnn([C@H](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000343019400 475702153 /nfs/dbraw/zinc/70/21/53/475702153.db2.gz YYBMIVCNMKHEGV-SNVBAGLBSA-N 0 0 345.359 2.996 10 5 EFBERN COC(=O)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000361738129 475708791 /nfs/dbraw/zinc/70/87/91/475708791.db2.gz UFNGBPDIGMJFKD-MRXNPFEDSA-N 0 0 330.340 2.613 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1oc(CC2CC2)nc1C ZINC000355177186 475719919 /nfs/dbraw/zinc/71/99/19/475719919.db2.gz OHEPCUGMRZVHCO-UHFFFAOYSA-N 0 0 345.355 2.782 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC(CCO)C1 ZINC000343048197 475720275 /nfs/dbraw/zinc/72/02/75/475720275.db2.gz ORPXZRBLGPHKBY-UHFFFAOYSA-N 0 0 342.351 2.842 10 5 EFBERN O=C(Nc1ccccc1O)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000340054451 475720447 /nfs/dbraw/zinc/72/04/47/475720447.db2.gz IDVZBMPPRKXSPC-UHFFFAOYSA-N 0 0 342.355 2.551 10 5 EFBERN CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000343056482 475728789 /nfs/dbraw/zinc/72/87/89/475728789.db2.gz XORWBZPHJGQORK-IAGOWNOFSA-N 0 0 341.367 2.983 10 5 EFBERN Cc1oc2ccccc2c1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000361759180 475728654 /nfs/dbraw/zinc/72/86/54/475728654.db2.gz HINMCMHPYBEUMI-UHFFFAOYSA-N 0 0 340.339 2.798 10 5 EFBERN CC[C@H](NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000348538258 475736429 /nfs/dbraw/zinc/73/64/29/475736429.db2.gz AWSSGZZREXUMJF-JTQLQIEISA-N 0 0 347.293 2.607 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccnc1)C1CC1 ZINC000340113348 475768949 /nfs/dbraw/zinc/76/89/49/475768949.db2.gz XAXWZBYAOIAUPX-MRXNPFEDSA-N 0 0 326.356 2.940 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCc2cc(F)c(F)cc21 ZINC000343118186 475783429 /nfs/dbraw/zinc/78/34/29/475783429.db2.gz AZCSGPMASKZOHP-UHFFFAOYSA-N 0 0 344.277 2.952 10 5 EFBERN CCn1cc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cn1 ZINC000343133698 475795512 /nfs/dbraw/zinc/79/55/12/475795512.db2.gz FPYVSODPIGWRMK-UHFFFAOYSA-N 0 0 342.277 2.760 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc2ccncc21 ZINC000338332640 475796797 /nfs/dbraw/zinc/79/67/97/475796797.db2.gz OSVOHUQUDZURHF-UHFFFAOYSA-N 0 0 336.351 2.853 10 5 EFBERN C[C@H]1Cc2ccccc2[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348646157 475799760 /nfs/dbraw/zinc/79/97/60/475799760.db2.gz SHIUSMZKEACULE-MEDUHNTESA-N 0 0 332.381 2.807 10 5 EFBERN CC(C)CC[C@@](C)(O)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000355289618 475802475 /nfs/dbraw/zinc/80/24/75/475802475.db2.gz JNMJBDGKEYVPJT-QGZVFWFLSA-N 0 0 333.388 2.993 10 5 EFBERN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000338340003 475803430 /nfs/dbraw/zinc/80/34/30/475803430.db2.gz BZDGAKMPOWUVHP-UHFFFAOYSA-N 0 0 337.339 2.864 10 5 EFBERN O=[N+]([O-])c1cnccc1NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000340156412 475808644 /nfs/dbraw/zinc/80/86/44/475808644.db2.gz FCMIFKXVHVLODC-UHFFFAOYSA-N 0 0 348.353 2.766 10 5 EFBERN CC(=O)c1cccc(OC[C@@H](O)COc2c(C)cccc2[N+](=O)[O-])c1 ZINC000340169077 475819026 /nfs/dbraw/zinc/81/90/26/475819026.db2.gz XWEXVVCUSOJBTN-OAHLLOKOSA-N 0 0 345.351 2.925 10 5 EFBERN CC(C)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000338365451 475829382 /nfs/dbraw/zinc/82/93/82/475829382.db2.gz HHJFESBORFECQQ-CYBMUJFWSA-N 0 0 345.384 2.826 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC000343205442 475854324 /nfs/dbraw/zinc/85/43/24/475854324.db2.gz MDPZYBJKQHDMNX-UHFFFAOYSA-N 0 0 341.367 2.996 10 5 EFBERN CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000346791327 475862533 /nfs/dbraw/zinc/86/25/33/475862533.db2.gz ILBKNFKCZBNYRB-ZDUSSCGKSA-N 0 0 349.387 2.584 10 5 EFBERN 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O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCN2CCC1CC2 ZINC000373164517 476381455 /nfs/dbraw/zinc/38/14/55/476381455.db2.gz OPKSUIWIZBVWTM-UHFFFAOYSA-N 0 0 347.418 2.602 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000357457691 476397273 /nfs/dbraw/zinc/39/72/73/476397273.db2.gz PKVQCCLXBABWSB-LLVKDONJSA-N 0 0 342.355 2.885 10 5 EFBERN C[C@H]1C[C@H](c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000357463981 476399951 /nfs/dbraw/zinc/39/99/51/476399951.db2.gz FWBNPMOFHVQEKE-NWDGAFQWSA-N 0 0 332.360 2.897 10 5 EFBERN COc1cc(OCc2nc([C@H]3CCO[C@@H](C)C3)no2)ccc1[N+](=O)[O-] ZINC000357481296 476408556 /nfs/dbraw/zinc/40/85/56/476408556.db2.gz ZASKSJFLKDMNNG-QWRGUYRKSA-N 0 0 349.343 2.848 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCc2c1c(F)ccc2F ZINC000354091561 476419193 /nfs/dbraw/zinc/41/91/93/476419193.db2.gz LRKLZGXQBYCKSB-UHFFFAOYSA-N 0 0 333.294 2.874 10 5 EFBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@]2(CCOC2)O1 ZINC000373647482 476419415 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Cn1ccnc1C(=O)c1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362843012 476437419 /nfs/dbraw/zinc/43/74/19/476437419.db2.gz NQUJUBMHRGRRNR-JYAVWHMHSA-N 0 0 326.356 2.770 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2c(c1)CCO2 ZINC000360869837 476441231 /nfs/dbraw/zinc/44/12/31/476441231.db2.gz GUFVEOGZCDHACN-UHFFFAOYSA-N 0 0 348.380 2.947 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCOC[C@H]1c1ccco1 ZINC000363574122 476445037 /nfs/dbraw/zinc/44/50/37/476445037.db2.gz ASUWZTQYAIZVBZ-HNNXBMFYSA-N 0 0 345.355 2.513 10 5 EFBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1OCCO ZINC000360879326 476449341 /nfs/dbraw/zinc/44/93/41/476449341.db2.gz FDDZOSRMOKANJF-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000360883056 476452664 /nfs/dbraw/zinc/45/26/64/476452664.db2.gz LKNQRTMOPWKBHB-WCBMZHEXSA-N 0 0 331.294 2.980 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000357562329 476456113 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CSC1(CNc2ncc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357572330 476463650 /nfs/dbraw/zinc/46/36/50/476463650.db2.gz UBVZHLFDEHCMDK-UHFFFAOYSA-N 0 0 330.841 2.883 10 5 EFBERN COc1cc(Cl)c(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000360905372 476467186 /nfs/dbraw/zinc/46/71/86/476467186.db2.gz FGPIHVMLXJEWNZ-UHFFFAOYSA-N 0 0 345.142 2.896 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(C3CCC(C(C)(C)O)CC3)n2)n1C ZINC000351489589 476474429 /nfs/dbraw/zinc/47/44/29/476474429.db2.gz BCDPDJVDZFYGPK-UHFFFAOYSA-N 0 0 349.391 2.731 10 5 EFBERN CC(=O)N(Cc1ccc(Nc2ccncc2[N+](=O)[O-])cc1)C(C)C ZINC000360915186 476474421 /nfs/dbraw/zinc/47/44/21/476474421.db2.gz WVLQKQPHINHMTF-UHFFFAOYSA-N 0 0 328.372 2.912 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000362916210 476479556 /nfs/dbraw/zinc/47/95/56/476479556.db2.gz FEXBSGYKODLHRO-XQQFMLRXSA-N 0 0 344.289 2.655 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(C(F)F)CC1 ZINC000362928194 476485685 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Cc1cncn1C1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000364370005 476524130 /nfs/dbraw/zinc/52/41/30/476524130.db2.gz PWHXTLQJOYNYKH-UHFFFAOYSA-N 0 0 328.372 2.885 10 5 EFBERN COC(=O)c1cnc(N[C@@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])c1 ZINC000357695866 476543961 /nfs/dbraw/zinc/54/39/61/476543961.db2.gz IZUJCXYLDVXZSV-CYBMUJFWSA-N 0 0 343.339 2.939 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000364813043 476544879 /nfs/dbraw/zinc/54/48/79/476544879.db2.gz YRCSSBBIKWMULV-LBPRGKRZSA-N 0 0 328.372 2.729 10 5 EFBERN O=C(N[C@@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000354265251 476548059 /nfs/dbraw/zinc/54/80/59/476548059.db2.gz NNCXTAGXTSLLJO-LBPRGKRZSA-N 0 0 326.761 2.773 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCc2[nH]cnc2C1 ZINC000377745890 476557707 /nfs/dbraw/zinc/55/77/07/476557707.db2.gz OCWBOVDCKAOWSR-QMMMGPOBSA-N 0 0 335.751 2.650 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352217725 476558926 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EFBERN CO[C@@H](C)c1noc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000354305082 476574298 /nfs/dbraw/zinc/57/42/98/476574298.db2.gz QEAWMJCCYOGIJL-VFFGBVLKSA-N 0 0 332.360 2.830 10 5 EFBERN CC(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000354309491 476576645 /nfs/dbraw/zinc/57/66/45/476576645.db2.gz YYLMYZYUZQYEIB-ZDUSSCGKSA-N 0 0 349.412 2.722 10 5 EFBERN O=[N+]([O-])c1cnccc1N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000361063955 476578365 /nfs/dbraw/zinc/57/83/65/476578365.db2.gz XORVASGAOVROKU-UHFFFAOYSA-N 0 0 349.394 2.992 10 5 EFBERN NC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)c2ccccc21 ZINC000374904173 476583624 /nfs/dbraw/zinc/58/36/24/476583624.db2.gz SHACGBCGYBMTDC-ZDUSSCGKSA-N 0 0 329.331 2.713 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](COc3ccccc3)C2)c(Cl)c1 ZINC000357759679 476584106 /nfs/dbraw/zinc/58/41/06/476584106.db2.gz SPGFZPJCKGBOIC-CQSZACIVSA-N 0 0 349.774 2.927 10 5 EFBERN Cc1cn2c(n1)CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000369923229 476591795 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C)CC1 ZINC000439691308 478016986 /nfs/dbraw/zinc/01/69/86/478016986.db2.gz AMSMUWFKFURPEU-GFCCVEGCSA-N 0 0 349.387 2.581 10 5 EFBERN CCOC(=O)N[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000494605636 478021985 /nfs/dbraw/zinc/02/19/85/478021985.db2.gz CMFXILOCFBOALD-BXUZGUMPSA-N 0 0 337.376 2.543 10 5 EFBERN Cc1c(Cl)c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)nn1C ZINC000421329074 478038473 /nfs/dbraw/zinc/03/84/73/478038473.db2.gz MZCWMXGYXSPCQW-UHFFFAOYSA-N 0 0 349.822 2.612 10 5 EFBERN C[C@@](O)(CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000517069844 478046093 /nfs/dbraw/zinc/04/60/93/478046093.db2.gz NNZDVKLSRKYDKG-HXUWFJFHSA-N 0 0 336.391 2.572 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@@H](C)O)C(C)C ZINC000439915040 478047546 /nfs/dbraw/zinc/04/75/46/478047546.db2.gz OEXBQDYPGAEQJE-LLVKDONJSA-N 0 0 325.365 2.617 10 5 EFBERN CC(C)(C)OCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000533220523 478051494 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CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2Cl)CCC3=O)n1 ZINC000429468729 478139686 /nfs/dbraw/zinc/13/96/86/478139686.db2.gz DOGVEQLVXHPPAW-UHFFFAOYSA-N 0 0 348.746 2.846 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCCCC2(F)F)c1 ZINC000451644706 478140297 /nfs/dbraw/zinc/14/02/97/478140297.db2.gz YYMGQAVZKXFHHX-LBPRGKRZSA-N 0 0 348.371 2.840 10 5 EFBERN CCc1[nH]nc(C(=O)N=c2[nH]n(C3CCCCC3)cc2C)c1[N+](=O)[O-] ZINC000429480359 478141535 /nfs/dbraw/zinc/14/15/35/478141535.db2.gz GZLXFVIRRLYWNF-UHFFFAOYSA-N 0 0 346.391 2.565 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000488631586 478166697 /nfs/dbraw/zinc/16/66/97/478166697.db2.gz QCVDBWYNWWMUFG-SNVBAGLBSA-N 0 0 338.335 2.538 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)Cc1cc(C)[nH]n1 ZINC000561260006 478172493 /nfs/dbraw/zinc/17/24/93/478172493.db2.gz YYFMKTWACJDIEC-SNVBAGLBSA-N 0 0 332.360 2.764 10 5 EFBERN Cc1ccsc1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561290491 478174574 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EFBERN Cc1[nH]c2ccc(CNC(=O)c3cc([N+](=O)[O-])cn3C)cc2c1C ZINC000518894898 478196657 /nfs/dbraw/zinc/19/66/57/478196657.db2.gz UWWKTNKLPUITDO-UHFFFAOYSA-N 0 0 326.356 2.961 10 5 EFBERN COc1cc(C(=O)Nc2nc3cc(F)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000488909194 478199054 /nfs/dbraw/zinc/19/90/54/478199054.db2.gz BIPHURHVEMNXJS-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN O=C(N[C@H]1CCCC(F)(F)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000488966595 478206601 /nfs/dbraw/zinc/20/66/01/478206601.db2.gz AWQHWQDDOVNGKI-VIFPVBQESA-N 0 0 342.298 2.674 10 5 EFBERN Nc1c(C(=O)N2CCc3ccc(F)c(F)c3C2)cccc1[N+](=O)[O-] ZINC000489004161 478209214 /nfs/dbraw/zinc/20/92/14/478209214.db2.gz AEVJPSAILYXUHN-UHFFFAOYSA-N 0 0 333.294 2.654 10 5 EFBERN C[C@@H](N[C@H]1COCC1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451812785 478212870 /nfs/dbraw/zinc/21/28/70/478212870.db2.gz UKZNQTCETWDVTO-MFKMUULPSA-N 0 0 332.360 2.720 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451854587 478224999 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EFBERN C[C@@H]1Cc2cccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2O1 ZINC000590667896 478282544 /nfs/dbraw/zinc/28/25/44/478282544.db2.gz PIEHDIJHSCIIMU-GFCCVEGCSA-N 0 0 342.351 2.727 10 5 EFBERN CC(C)(C)OC(=O)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597303405 478282632 /nfs/dbraw/zinc/28/26/32/478282632.db2.gz FOMZWKSNFSPSSJ-OAHLLOKOSA-N 0 0 348.399 2.621 10 5 EFBERN COC(=O)[C@H](C[C@H]1CCCOC1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000600206777 478283072 /nfs/dbraw/zinc/28/30/72/478283072.db2.gz GIEXCODTKOTICF-XSXXPSGLSA-N 0 0 348.399 2.556 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1c1ccccc1 ZINC000597306170 478283772 /nfs/dbraw/zinc/28/37/72/478283772.db2.gz YOXQWWTUKOUFDW-SJORKVTESA-N 0 0 340.379 2.684 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1c1ccccc1 ZINC000597306167 478284161 /nfs/dbraw/zinc/28/41/61/478284161.db2.gz YOXQWWTUKOUFDW-DLBZAZTESA-N 0 0 340.379 2.684 10 5 EFBERN CN1CCO[C@@H](CSc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000520223556 478284841 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CC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594234892 478293105 /nfs/dbraw/zinc/29/31/05/478293105.db2.gz PHNIXBFDAJYFIF-HZPDHXFCSA-N 0 0 335.404 2.784 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](OCC3CC3)C2)c1 ZINC000489973409 478293787 /nfs/dbraw/zinc/29/37/87/478293787.db2.gz REGKLPVDQLVQKO-CQSZACIVSA-N 0 0 334.372 2.777 10 5 EFBERN CON1CCC(CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000597352870 478307082 /nfs/dbraw/zinc/30/70/82/478307082.db2.gz ZCKPACMRDMDVOF-CYBMUJFWSA-N 0 0 335.404 2.744 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC12CCC(CC1)CC2 ZINC000590744848 478315169 /nfs/dbraw/zinc/31/51/69/478315169.db2.gz KRDPEPMDFUTUGR-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN Cc1cncn1C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000570277437 478325221 /nfs/dbraw/zinc/32/52/21/478325221.db2.gz BTDRJAWFPJKLIQ-UHFFFAOYSA-N 0 0 326.360 2.818 10 5 EFBERN O=C(Nc1ncc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000590773511 478331778 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EFBERN CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600427730 478372144 /nfs/dbraw/zinc/37/21/44/478372144.db2.gz LYQIDJVNHSCTTC-AWEZNQCLSA-N 0 0 346.362 2.725 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000594416172 478372683 /nfs/dbraw/zinc/37/26/83/478372683.db2.gz CMDFQJUEDZFOTR-LLVKDONJSA-N 0 0 336.392 2.663 10 5 EFBERN O=C(c1cc2cc(F)ccc2[nH]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538682391 478372647 /nfs/dbraw/zinc/37/26/47/478372647.db2.gz LJVVVWSHTOQCQL-UHFFFAOYSA-N 0 0 340.314 2.809 10 5 EFBERN CNc1ccc(C(=O)NC[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594414456 478372913 /nfs/dbraw/zinc/37/29/13/478372913.db2.gz KWQKIJOEXHSUPC-CYBMUJFWSA-N 0 0 333.388 2.858 10 5 EFBERN O=C(Nc1cccc(C2CCOCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600427950 478373186 /nfs/dbraw/zinc/37/31/86/478373186.db2.gz UCERIJJKXYHZPY-UHFFFAOYSA-N 0 0 343.339 2.842 10 5 EFBERN CC(C)(C(=O)N1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1F ZINC000597483473 478373427 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342.351 2.972 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600443293 478378179 /nfs/dbraw/zinc/37/81/79/478378179.db2.gz HRFDJIFKQYCTIZ-IPJQOSJUSA-N 0 0 347.415 2.737 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600443176 478378187 /nfs/dbraw/zinc/37/81/87/478378187.db2.gz GTTCMIOEJZMLHY-ZAQLIGFBSA-N 0 0 333.388 2.711 10 5 EFBERN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ncon1 ZINC000522059114 478382146 /nfs/dbraw/zinc/38/21/46/478382146.db2.gz ACLZSCTXZMNTAE-JTQLQIEISA-N 0 0 334.335 2.555 10 5 EFBERN Cn1c(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)ccc1[N+](=O)[O-] ZINC000600479204 478387155 /nfs/dbraw/zinc/38/71/55/478387155.db2.gz VEOCDJATEDIZJJ-WKPIXPDZSA-N 0 0 331.759 2.655 10 5 EFBERN O=C(N[C@@H](CO)C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000538889293 478390902 /nfs/dbraw/zinc/39/09/02/478390902.db2.gz NASWQLFMRYCKRV-INIZCTEOSA-N 0 0 331.372 2.747 10 5 EFBERN 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478452247 /nfs/dbraw/zinc/45/22/47/478452247.db2.gz GLGAYPZTTMXEEB-JKSUJKDBSA-N 0 0 333.388 2.714 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594591762 478452908 /nfs/dbraw/zinc/45/29/08/478452908.db2.gz JONAUCXRORIOEK-MCIONIFRSA-N 0 0 337.420 2.651 10 5 EFBERN CC(=O)c1ccc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000594590798 478452979 /nfs/dbraw/zinc/45/29/79/478452979.db2.gz CAZZSXZGMDMZLQ-UPJWGTAASA-N 0 0 335.404 2.707 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OC(F)F)C1 ZINC000591075209 478453300 /nfs/dbraw/zinc/45/33/00/478453300.db2.gz WCCBTLCUFWFOKQ-MELADBBJSA-N 0 0 340.326 2.929 10 5 EFBERN CCOC(=O)c1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000597665405 478453990 /nfs/dbraw/zinc/45/39/90/478453990.db2.gz HSBBDRCSHNXMBC-UHFFFAOYSA-N 0 0 333.300 2.629 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1cn2c(n1)CCCC2 ZINC000597666682 478455562 /nfs/dbraw/zinc/45/55/62/478455562.db2.gz KWXHQCGVQXBEHJ-UHFFFAOYSA-N 0 0 328.372 2.926 10 5 EFBERN COC[C@@H](CC(C)(C)C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000594598200 478456891 /nfs/dbraw/zinc/45/68/91/478456891.db2.gz GGBFXGFHAGTDQC-SNVBAGLBSA-N 0 0 334.376 2.529 10 5 EFBERN CC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594598550 478457048 /nfs/dbraw/zinc/45/70/48/478457048.db2.gz GTMBNKQVGUHVHV-QWHCGFSZSA-N 0 0 337.376 2.844 10 5 EFBERN CC[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594598548 478457813 /nfs/dbraw/zinc/45/78/13/478457813.db2.gz GTMBNKQVGUHVHV-CHWSQXEVSA-N 0 0 337.376 2.844 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1oc(C(C)C)nc1C ZINC000597683611 478461845 /nfs/dbraw/zinc/46/18/45/478461845.db2.gz CJAWUOSXHSBHEW-UHFFFAOYSA-N 0 0 333.344 2.953 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000600674490 478463902 /nfs/dbraw/zinc/46/39/02/478463902.db2.gz LHDFIYDQMDQOEF-ILXRZTDVSA-N 0 0 334.372 2.679 10 5 EFBERN 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PLITVUBORCZESN-LBPRGKRZSA-N 0 0 347.346 2.711 10 5 EFBERN CC[C@@H](CSC)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703609 478475660 /nfs/dbraw/zinc/47/56/60/478475660.db2.gz SWIVRTGDJDNWLX-NHYWBVRUSA-N 0 0 337.401 2.503 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@@H]2CCCC23CC3)C1=O ZINC000600705473 478477196 /nfs/dbraw/zinc/47/71/96/478477196.db2.gz RQAISJLLOKQPLF-SUMWQHHRSA-N 0 0 343.383 2.942 10 5 EFBERN CSC1(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000600704636 478477448 /nfs/dbraw/zinc/47/74/48/478477448.db2.gz MWRMDHARVSNWHJ-OAHLLOKOSA-N 0 0 349.412 2.648 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@H]2CCCC23CC3)C1=O ZINC000600705463 478477516 /nfs/dbraw/zinc/47/75/16/478477516.db2.gz RQAISJLLOKQPLF-CXAGYDPISA-N 0 0 343.383 2.942 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCOc3ncccc3C2)c(C(F)(F)F)c1 ZINC000591155161 478477656 /nfs/dbraw/zinc/47/76/56/478477656.db2.gz VMBBBEOKQABSRM-UHFFFAOYSA-N 0 0 340.261 2.803 10 5 EFBERN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc21 ZINC000600711369 478479350 /nfs/dbraw/zinc/47/93/50/478479350.db2.gz SMEOGBWEPWVQTR-SNVBAGLBSA-N 0 0 342.355 2.656 10 5 EFBERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc21 ZINC000600709620 478479670 /nfs/dbraw/zinc/47/96/70/478479670.db2.gz OOANFWSNLLTKRN-VIFPVBQESA-N 0 0 328.328 2.645 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCCC2(F)F)C1=O ZINC000600713008 478480967 /nfs/dbraw/zinc/48/09/67/478480967.db2.gz LMLYTMUFUVQDHH-BXUZGUMPSA-N 0 0 339.298 2.550 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(=O)[nH]c1 ZINC000597727550 478483245 /nfs/dbraw/zinc/48/32/45/478483245.db2.gz NIXBSMKNHORSDP-UHFFFAOYSA-N 0 0 330.344 2.697 10 5 EFBERN C[C@@H](CCCc1cccnc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000591175052 478484199 /nfs/dbraw/zinc/48/41/99/478484199.db2.gz ZDDXBBWBWANRJX-LBPRGKRZSA-N 0 0 330.388 2.888 10 5 EFBERN CC(=O)c1cnc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)s1 ZINC000540888016 478501634 /nfs/dbraw/zinc/50/16/34/478501634.db2.gz MQPHUTRWNUNBMC-UHFFFAOYSA-N 0 0 330.325 2.988 10 5 EFBERN COc1ccc(CC(=O)N2CC(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000600762676 478510054 /nfs/dbraw/zinc/51/00/54/478510054.db2.gz HXJXNXWZBLUXJC-UHFFFAOYSA-N 0 0 346.408 2.909 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600770998 478511860 /nfs/dbraw/zinc/51/18/60/478511860.db2.gz FLPHSHSXSCZIPK-CQSZACIVSA-N 0 0 342.351 2.695 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600770710 478512033 /nfs/dbraw/zinc/51/20/33/478512033.db2.gz BTSGPUMIQYBLQS-CYBMUJFWSA-N 0 0 342.351 2.939 10 5 EFBERN CNc1ccc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600772247 478513516 /nfs/dbraw/zinc/51/35/16/478513516.db2.gz IDCYJRHEZITZQV-AWEZNQCLSA-N 0 0 341.367 2.972 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC000600775284 478514631 /nfs/dbraw/zinc/51/46/31/478514631.db2.gz UDFPHFKWCUGOMS-GFCCVEGCSA-N 0 0 344.371 2.777 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000582158088 478523350 /nfs/dbraw/zinc/52/33/50/478523350.db2.gz PFIKIORKNNIHER-LBPRGKRZSA-N 0 0 342.277 2.845 10 5 EFBERN CCc1cc(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc2[nH]1 ZINC000540976191 478525118 /nfs/dbraw/zinc/52/51/18/478525118.db2.gz NURJGTSNQRFFFR-UHFFFAOYSA-N 0 0 338.323 2.646 10 5 EFBERN O=C(NC[C@@H]1CCCC12CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600804705 478527753 /nfs/dbraw/zinc/52/77/53/478527753.db2.gz OYLSGOYXXSSIST-NSHDSACASA-N 0 0 332.356 2.676 10 5 EFBERN CCCOc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1OC ZINC000600811685 478529319 /nfs/dbraw/zinc/52/93/19/478529319.db2.gz RFGFEFBTDSZNOU-UHFFFAOYSA-N 0 0 348.359 2.861 10 5 EFBERN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCCC12CC2 ZINC000600807571 478529488 /nfs/dbraw/zinc/52/94/88/478529488.db2.gz ZZATZHJXIFMCFK-STQMWFEESA-N 0 0 349.435 2.524 10 5 EFBERN Cc1ccc(NC(=O)N2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000582179234 478531563 /nfs/dbraw/zinc/53/15/63/478531563.db2.gz QRSLPTHIXVBLAA-OAHLLOKOSA-N 0 0 337.401 2.643 10 5 EFBERN CC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753723 478531689 /nfs/dbraw/zinc/53/16/89/478531689.db2.gz LUIYBMIXBPLFQS-AWEZNQCLSA-N 0 0 347.396 2.688 10 5 EFBERN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594754604 478531982 /nfs/dbraw/zinc/53/19/82/478531982.db2.gz AMLRXWLNZPWMCN-GFCCVEGCSA-N 0 0 335.385 2.680 10 5 EFBERN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000594755020 478532052 /nfs/dbraw/zinc/53/20/52/478532052.db2.gz DZWPAQLBBRVUBP-VIFPVBQESA-N 0 0 340.323 2.603 10 5 EFBERN Cc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769267 478535470 /nfs/dbraw/zinc/53/54/70/478535470.db2.gz GZWWSMQAMHKBLR-CYBMUJFWSA-N 0 0 349.412 2.550 10 5 EFBERN Cc1sc(C(=O)N[C@@H](c2cccnc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000597844447 478537551 /nfs/dbraw/zinc/53/75/51/478537551.db2.gz FGACHCOOYVFHFV-AWEZNQCLSA-N 0 0 349.412 2.849 10 5 EFBERN CC(C)C[C@]1(C)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778853 478538056 /nfs/dbraw/zinc/53/80/56/478538056.db2.gz BMMFXHVYYUGXOZ-AWEZNQCLSA-N 0 0 327.406 2.579 10 5 EFBERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])CCC2 ZINC000594779362 478538134 /nfs/dbraw/zinc/53/81/34/478538134.db2.gz PQYGGHVOEXSABG-AWEZNQCLSA-N 0 0 347.396 2.654 10 5 EFBERN Cc1ccccc1C(C)(C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594776489 478538412 /nfs/dbraw/zinc/53/84/12/478538412.db2.gz DSDQITKGJGNMPT-UHFFFAOYSA-N 0 0 335.385 2.512 10 5 EFBERN CN([C@H]1CCC[C@H]1C(C)(C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594783323 478540189 /nfs/dbraw/zinc/54/01/89/478540189.db2.gz NFARYIIXGJKXAU-NEPJUHHUSA-N 0 0 341.433 2.825 10 5 EFBERN CCC[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000594784411 478540510 /nfs/dbraw/zinc/54/05/10/478540510.db2.gz WZQOCAAAYISSAI-GFCCVEGCSA-N 0 0 327.406 2.627 10 5 EFBERN O=C(N[C@H](c1cccs1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000597853323 478541059 /nfs/dbraw/zinc/54/10/59/478541059.db2.gz STYJCUQOWAFHSI-CQSZACIVSA-N 0 0 347.396 2.685 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594793293 478543386 /nfs/dbraw/zinc/54/33/86/478543386.db2.gz BYNGVMJGGOOLMA-CYBMUJFWSA-N 0 0 349.412 2.689 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)c1ccccn1 ZINC000594798107 478544138 /nfs/dbraw/zinc/54/41/38/478544138.db2.gz ZKJBRKXOKZTFBY-ZDUSSCGKSA-N 0 0 349.412 2.689 10 5 EFBERN CCc1ccc(S(=O)(=O)NC[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594797391 478544784 /nfs/dbraw/zinc/54/47/84/478544784.db2.gz VLQQHYLEYFDWTR-LBPRGKRZSA-N 0 0 349.412 2.634 10 5 EFBERN COc1cc(C(=O)NC[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1F ZINC000597862679 478550028 /nfs/dbraw/zinc/55/00/28/478550028.db2.gz DSEUBFMOURBASP-SNVBAGLBSA-N 0 0 333.319 2.671 10 5 EFBERN COc1cc(C(=O)NC[C@H](C)c2ccccn2)c([N+](=O)[O-])cc1F ZINC000597862678 478550084 /nfs/dbraw/zinc/55/00/84/478550084.db2.gz DSEUBFMOURBASP-JTQLQIEISA-N 0 0 333.319 2.671 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(C3CCC3)CC2)c1 ZINC000594821206 478552733 /nfs/dbraw/zinc/55/27/33/478552733.db2.gz KURYTVVADDEDQT-UHFFFAOYSA-N 0 0 338.429 2.937 10 5 EFBERN COCCOc1ccc(CNc2c(OC)cccc2[N+](=O)[O-])cn1 ZINC000563419022 478555342 /nfs/dbraw/zinc/55/53/42/478555342.db2.gz WYVVNUSKNLEHRJ-UHFFFAOYSA-N 0 0 333.344 2.636 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000594833653 478556473 /nfs/dbraw/zinc/55/64/73/478556473.db2.gz PYXZGPUCYMMMGZ-YVEFUNNKSA-N 0 0 346.408 2.743 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@H](O)CC23CCC3)c(Br)c1 ZINC000591464186 478561273 /nfs/dbraw/zinc/56/12/73/478561273.db2.gz HVWAXCYRHNEBPD-JTQLQIEISA-N 0 0 342.193 2.636 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000594854962 478561174 /nfs/dbraw/zinc/56/11/74/478561174.db2.gz ADMOEBTWXKHLFA-ZDUSSCGKSA-N 0 0 344.408 2.972 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CC2)n1C ZINC000597896797 478562794 /nfs/dbraw/zinc/56/27/94/478562794.db2.gz GVDSOEYWZDUZRZ-VIFPVBQESA-N 0 0 347.400 2.720 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nnc(C2CC2)n1C ZINC000597898643 478563807 /nfs/dbraw/zinc/56/38/07/478563807.db2.gz LKONFPHNVMAVRC-UHFFFAOYSA-N 0 0 329.360 2.778 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@]1(C)CC1(F)F ZINC000594858984 478564989 /nfs/dbraw/zinc/56/49/89/478564989.db2.gz WTQMZVSEVXVGKL-LBPRGKRZSA-N 0 0 334.344 2.617 10 5 EFBERN O=C(N[C@@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597919072 478574124 /nfs/dbraw/zinc/57/41/24/478574124.db2.gz JWXRMMLAYPYZMK-NSHDSACASA-N 0 0 332.278 2.504 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccco2)CC1 ZINC000597921699 478576463 /nfs/dbraw/zinc/57/64/63/478576463.db2.gz ILGAULMQEQTNMV-UHFFFAOYSA-N 0 0 330.340 2.973 10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000597922770 478577531 /nfs/dbraw/zinc/57/75/31/478577531.db2.gz IUTFDOKPDZJGTO-QGZVFWFLSA-N 0 0 329.356 2.717 10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000597924741 478579763 /nfs/dbraw/zinc/57/97/63/478579763.db2.gz IEXLQXLRJDCDIR-GOSISDBHSA-N 0 0 346.383 2.585 10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000597925179 478579993 /nfs/dbraw/zinc/57/99/93/478579993.db2.gz KXWNWRQBBGJPAU-LZLYRXPVSA-N 0 0 330.384 2.726 10 5 EFBERN Cc1ccc(-c2ccc3c(c2)CC[C@@]32CC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000600947301 478580531 /nfs/dbraw/zinc/58/05/31/478580531.db2.gz XSHYQKGGHXSFKZ-LJQANCHMSA-N 0 0 336.347 2.801 10 5 EFBERN Cc1ccc(-c2ccc3c(c2)CC[C@]32CC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000600947300 478581189 /nfs/dbraw/zinc/58/11/89/478581189.db2.gz XSHYQKGGHXSFKZ-IBGZPJMESA-N 0 0 336.347 2.801 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000597930567 478581826 /nfs/dbraw/zinc/58/18/26/478581826.db2.gz CWYMDMKIBYEOQM-WPRPVWTQSA-N 0 0 335.751 2.584 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ncnn21 ZINC000597937426 478586392 /nfs/dbraw/zinc/58/63/92/478586392.db2.gz SBKJFRJZBIUAES-MFKMUULPSA-N 0 0 343.387 2.920 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000597938267 478586423 /nfs/dbraw/zinc/58/64/23/478586423.db2.gz WHRUUONNTPAWAO-BXKDBHETSA-N 0 0 347.400 2.734 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000597944371 478591222 /nfs/dbraw/zinc/59/12/22/478591222.db2.gz JIEJEVNNSDAJFZ-UHFFFAOYSA-N 0 0 348.384 2.985 10 5 EFBERN CCC(C)(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000597950691 478593538 /nfs/dbraw/zinc/59/35/38/478593538.db2.gz DBNHWMYKNYJCQA-SNVBAGLBSA-N 0 0 342.417 2.553 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3cccnc3)C2)c1 ZINC000582417964 478593771 /nfs/dbraw/zinc/59/37/71/478593771.db2.gz WYWSTTOLYASAJI-AWEZNQCLSA-N 0 0 327.340 2.770 10 5 EFBERN C/C(=C\c1ccccc1)CN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000491612711 478599268 /nfs/dbraw/zinc/59/92/68/478599268.db2.gz 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/nfs/dbraw/zinc/73/81/83/478738183.db2.gz XOCMUJVTYANCCV-LBPRGKRZSA-N 0 0 334.372 2.777 10 5 EFBERN COC(=O)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000598274937 478738575 /nfs/dbraw/zinc/73/85/75/478738575.db2.gz MFGUQZQRRXWGGN-CYBMUJFWSA-N 0 0 334.372 2.531 10 5 EFBERN O=C(c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000592002879 478740310 /nfs/dbraw/zinc/74/03/10/478740310.db2.gz LFVDQROYCYOTON-AEGPPILISA-N 0 0 345.399 2.668 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592006200 478741662 /nfs/dbraw/zinc/74/16/62/478741662.db2.gz MIAULOQYCGNVDF-LLVKDONJSA-N 0 0 340.742 2.699 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)c1C ZINC000595350407 478742156 /nfs/dbraw/zinc/74/21/56/478742156.db2.gz CMIYYSFAUJXFKA-LLVKDONJSA-N 0 0 348.371 2.781 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)c1 ZINC000595351665 478742555 /nfs/dbraw/zinc/74/25/55/478742555.db2.gz JUUCZNSHVDEEIH-GFCCVEGCSA-N 0 0 348.371 2.781 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000595354461 478744735 /nfs/dbraw/zinc/74/47/35/478744735.db2.gz VVFFWOXMIOFTTK-GFCCVEGCSA-N 0 0 348.371 2.781 10 5 EFBERN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595358613 478745633 /nfs/dbraw/zinc/74/56/33/478745633.db2.gz GCVQYUKFBCPUER-UNXYVOJBSA-N 0 0 330.381 2.790 10 5 EFBERN CCC1(O)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601249693 478746569 /nfs/dbraw/zinc/74/65/69/478746569.db2.gz FBBJKWWMOREJPO-UHFFFAOYSA-N 0 0 332.400 2.780 10 5 EFBERN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595359549 478747348 /nfs/dbraw/zinc/74/73/48/478747348.db2.gz PZCIXTXWTSSRFB-LMWSTFAQSA-N 0 0 344.408 2.931 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000595364139 478749122 /nfs/dbraw/zinc/74/91/22/478749122.db2.gz DEWQORUIMNRHLI-OAHLLOKOSA-N 0 0 338.429 2.937 10 5 EFBERN Cn1c(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC000598296182 478750623 /nfs/dbraw/zinc/75/06/23/478750623.db2.gz KNHHOSUTAIBHKQ-QWHCGFSZSA-N 0 0 335.404 2.789 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000598298504 478751973 /nfs/dbraw/zinc/75/19/73/478751973.db2.gz DNVKTWHRSZPKKA-KGLIPLIRSA-N 0 0 336.388 2.698 10 5 EFBERN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000595375208 478752669 /nfs/dbraw/zinc/75/26/69/478752669.db2.gz QEFIZUYRTYOYPA-INIZCTEOSA-N 0 0 343.358 2.971 10 5 EFBERN Cc1cccc2c1CCC[C@H]2NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595396085 478761492 /nfs/dbraw/zinc/76/14/92/478761492.db2.gz XLFLDWPHFZPVEJ-CQSZACIVSA-N 0 0 347.396 2.654 10 5 EFBERN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598312759 478761648 /nfs/dbraw/zinc/76/16/48/478761648.db2.gz RPQPPQMZCBFOMZ-VXGBXAGGSA-N 0 0 344.289 2.647 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@@H](C)CC(F)F)c(C)cc1[N+](=O)[O-] ZINC000592067865 478762098 /nfs/dbraw/zinc/76/20/98/478762098.db2.gz XMQCRROBYAIXNY-QMMMGPOBSA-N 0 0 336.360 2.781 10 5 EFBERN COC(=O)c1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000564567616 478762192 /nfs/dbraw/zinc/76/21/92/478762192.db2.gz LRZDZZQWKNATGU-WCQYABFASA-N 0 0 333.388 2.727 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2c(C3CCC3)cnn2C)c1 ZINC000598316424 478762814 /nfs/dbraw/zinc/76/28/14/478762814.db2.gz OBHWQWJLMXIMEC-UHFFFAOYSA-N 0 0 344.371 2.534 10 5 EFBERN CCCc1n[nH]c(C(=O)NC2CCC3(CC3(F)F)CC2)c1[N+](=O)[O-] ZINC000598317111 478762930 /nfs/dbraw/zinc/76/29/30/478762930.db2.gz DOQRFLJLJBZJQU-UHFFFAOYSA-N 0 0 342.346 2.968 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)CC(F)F ZINC000592067110 478762869 /nfs/dbraw/zinc/76/28/69/478762869.db2.gz MPGUTJCRFOIQLS-QMMMGPOBSA-N 0 0 336.360 2.781 10 5 EFBERN Cc1noc(CN2CCN([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000595399381 478762908 /nfs/dbraw/zinc/76/29/08/478762908.db2.gz ZUYSTKIMHYXZBZ-ZDUSSCGKSA-N 0 0 348.378 2.909 10 5 EFBERN Cn1ncc(C2CCC2)c1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000598315475 478763080 /nfs/dbraw/zinc/76/30/80/478763080.db2.gz DVKWDSKVSYZTIF-UHFFFAOYSA-N 0 0 332.335 2.665 10 5 EFBERN Cn1ncc(C2CCC2)c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598315872 478763571 /nfs/dbraw/zinc/76/35/71/478763571.db2.gz GWKYJCSYFVWZEM-UHFFFAOYSA-N 0 0 332.335 2.665 10 5 EFBERN Cc1ccc(CN(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])o1 ZINC000601284008 478764599 /nfs/dbraw/zinc/76/45/99/478764599.db2.gz CISSCKBISMXZAK-UHFFFAOYSA-N 0 0 330.387 2.687 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3CC2(c2ccccc2)C3)c1 ZINC000595409720 478765100 /nfs/dbraw/zinc/76/51/00/478765100.db2.gz ZTAFXZFLBCGVPZ-UHFFFAOYSA-N 0 0 344.392 2.905 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC(C)(C)C ZINC000592074246 478765481 /nfs/dbraw/zinc/76/54/81/478765481.db2.gz VXMNBGXAFLQPGE-UHFFFAOYSA-N 0 0 330.406 2.660 10 5 EFBERN Cc1cccc(C(=O)NCc2c(C3CCC3)cnn2C)c1[N+](=O)[O-] ZINC000598324082 478765815 /nfs/dbraw/zinc/76/58/15/478765815.db2.gz SGRQSHJFOMXZBD-UHFFFAOYSA-N 0 0 328.372 2.834 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000598324122 478766016 /nfs/dbraw/zinc/76/60/16/478766016.db2.gz SPSHAWYIYNFPEB-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN C[C@H](C(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598325454 478767510 /nfs/dbraw/zinc/76/75/10/478767510.db2.gz ZCQXWBPALFDXJH-KWBADKCTSA-N 0 0 346.305 2.877 10 5 EFBERN CO[C@H](CC(C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583132475 478772090 /nfs/dbraw/zinc/77/20/90/478772090.db2.gz UCAYGFHKQOFKOT-MRXNPFEDSA-N 0 0 333.388 2.796 10 5 EFBERN Cc1cc(S(=O)(=O)NCCc2ccsc2)c([N+](=O)[O-])s1 ZINC000601302207 478775142 /nfs/dbraw/zinc/77/51/42/478775142.db2.gz JRHHRZIWLSDGRC-UHFFFAOYSA-N 0 0 332.428 2.547 10 5 EFBERN COc1ccc(CC(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000598341811 478775632 /nfs/dbraw/zinc/77/56/32/478775632.db2.gz ZQWDGFDFGBZYFK-GFCCVEGCSA-N 0 0 328.315 2.553 10 5 EFBERN CCCN(CC(F)(F)F)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601305670 478776197 /nfs/dbraw/zinc/77/61/97/478776197.db2.gz XIZDBWBEQGNCNK-UHFFFAOYSA-N 0 0 346.352 2.928 10 5 EFBERN C[C@@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601310438 478779262 /nfs/dbraw/zinc/77/92/62/478779262.db2.gz OIWMHQGDAUPKLR-MWLCHTKSSA-N 0 0 334.344 2.621 10 5 EFBERN C[C@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601310439 478779681 /nfs/dbraw/zinc/77/96/81/478779681.db2.gz OIWMHQGDAUPKLR-ONGXEEELSA-N 0 0 334.344 2.621 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598347234 478780547 /nfs/dbraw/zinc/78/05/47/478780547.db2.gz APMFVGWKDSUXNP-ZDUSSCGKSA-N 0 0 333.388 2.567 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H](C)Cc2ccsc2)c([N+](=O)[O-])s1 ZINC000601313850 478780552 /nfs/dbraw/zinc/78/05/52/478780552.db2.gz VGFNHTIXPQMICL-QMMMGPOBSA-N 0 0 346.455 2.936 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2C2CCC2)s1 ZINC000592115437 478781626 /nfs/dbraw/zinc/78/16/26/478781626.db2.gz ZIQCXNADGCBOEU-LLVKDONJSA-N 0 0 330.431 3.000 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598354337 478784572 /nfs/dbraw/zinc/78/45/72/478784572.db2.gz SBXNEXVRHWDNAP-GFCCVEGCSA-N 0 0 336.363 2.837 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000598354624 478784672 /nfs/dbraw/zinc/78/46/72/478784672.db2.gz XYICMSDADQWQJN-DLBZAZTESA-N 0 0 343.383 2.786 10 5 EFBERN CC(C)OC(=O)[C@H](C)N(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601318206 478785003 /nfs/dbraw/zinc/78/50/03/478785003.db2.gz JDHGJRCEELHSOR-ZDUSSCGKSA-N 0 0 348.399 2.815 10 5 EFBERN Cc1cc(S(=O)(=O)NCc2sccc2C)c([N+](=O)[O-])s1 ZINC000601320105 478786388 /nfs/dbraw/zinc/78/63/88/478786388.db2.gz VYVJKARMFSJPPH-UHFFFAOYSA-N 0 0 332.428 2.813 10 5 EFBERN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000595451873 478793514 /nfs/dbraw/zinc/79/35/14/478793514.db2.gz VPNCUCGFKSQGSJ-MELADBBJSA-N 0 0 333.388 2.839 10 5 EFBERN COC(=O)Cc1cccc(Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000543900730 478796720 /nfs/dbraw/zinc/79/67/20/478796720.db2.gz UYRCXCDVTAVYAA-UHFFFAOYSA-N 0 0 345.307 2.889 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(Cc3cnn4c3CCCC4)n2)cc1 ZINC000601353425 478797333 /nfs/dbraw/zinc/79/73/33/478797333.db2.gz KQWGLWXJWFAAPA-UHFFFAOYSA-N 0 0 325.328 2.768 10 5 EFBERN CC(C)[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000598382156 478798226 /nfs/dbraw/zinc/79/82/26/478798226.db2.gz TYPBTYBTBULWTK-INIZCTEOSA-N 0 0 328.372 2.945 10 5 EFBERN CCC[C@H](C)[C@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000564734978 478799341 /nfs/dbraw/zinc/79/93/41/478799341.db2.gz LEDLNLCBTDBOJP-NHYWBVRUSA-N 0 0 340.395 2.925 10 5 EFBERN CC1CCC(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000601357954 478800281 /nfs/dbraw/zinc/80/02/81/478800281.db2.gz IZTLZZLQRMZHAI-UHFFFAOYSA-N 0 0 326.418 2.635 10 5 EFBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]2COC[C@@H]2C1 ZINC000598392563 478801896 /nfs/dbraw/zinc/80/18/96/478801896.db2.gz GWNKVUCMEYKEJD-ZJUUUORDSA-N 0 0 344.289 2.722 10 5 EFBERN CC(C)(C(=O)N1CC[C@H]2COC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000598392179 478801902 /nfs/dbraw/zinc/80/19/02/478801902.db2.gz GCGFXDHVWCFDJY-RYUDHWBXSA-N 0 0 336.363 2.506 10 5 EFBERN Cc1noc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000595471471 478803546 /nfs/dbraw/zinc/80/35/46/478803546.db2.gz BLYXEDCTPALOFB-CYBMUJFWSA-N 0 0 345.403 2.804 10 5 EFBERN Cc1c(CC(=O)N2CCC(c3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000598398004 478804382 /nfs/dbraw/zinc/80/43/82/478804382.db2.gz ADFZWMWTWMQATQ-UHFFFAOYSA-N 0 0 329.356 2.840 10 5 EFBERN COc1cc(CN[C@@H](CCO)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000592162317 478807579 /nfs/dbraw/zinc/80/75/79/478807579.db2.gz VYIHJYDBIMSQRB-HNNXBMFYSA-N 0 0 334.347 2.956 10 5 EFBERN Cc1cc(CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)cc(C)c1O ZINC000583295778 478813141 /nfs/dbraw/zinc/81/31/41/478813141.db2.gz YKCSONDHTWQDHW-UHFFFAOYSA-N 0 0 326.356 2.870 10 5 EFBERN CCOC(=O)C[C@H](C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601385359 478815322 /nfs/dbraw/zinc/81/53/22/478815322.db2.gz PTSSTPRFYGHHOG-ZDUSSCGKSA-N 0 0 348.399 2.722 10 5 EFBERN Cn1nccc1[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000592184473 478816717 /nfs/dbraw/zinc/81/67/17/478816717.db2.gz JGEYBSSQXXOVJF-HNNXBMFYSA-N 0 0 346.387 2.501 10 5 EFBERN CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601392570 478818027 /nfs/dbraw/zinc/81/80/27/478818027.db2.gz LDMKFYMYWNPVHS-ZETCQYMHSA-N 0 0 346.352 2.974 10 5 EFBERN Cc1cccc(C(=O)NCC2(O)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000598426221 478818597 /nfs/dbraw/zinc/81/85/97/478818597.db2.gz YTFDUSOLCXKNAK-UHFFFAOYSA-N 0 0 328.315 2.573 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]1C(F)(F)F ZINC000595494645 478818855 /nfs/dbraw/zinc/81/88/55/478818855.db2.gz LGTDQBXOYNKVJG-GFCCVEGCSA-N 0 0 345.277 2.529 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]1C(F)(F)F ZINC000595494653 478819217 /nfs/dbraw/zinc/81/92/17/478819217.db2.gz LGTDQBXOYNKVJG-LBPRGKRZSA-N 0 0 345.277 2.529 10 5 EFBERN C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H](C)CN1C ZINC000601400326 478820353 /nfs/dbraw/zinc/82/03/53/478820353.db2.gz YLPGDCCGLWCKOY-KBPBESRZSA-N 0 0 331.416 2.568 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CCF)C1 ZINC000595499307 478820548 /nfs/dbraw/zinc/82/05/48/478820548.db2.gz FHJTXSKULINRNR-CYBMUJFWSA-N 0 0 339.367 2.755 10 5 EFBERN CO[C@H]1CCC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601407750 478822812 /nfs/dbraw/zinc/82/28/12/478822812.db2.gz DACVXCSRFZDBIT-CJNGLKHVSA-N 0 0 332.400 2.948 10 5 EFBERN CO[C@@H]1CCC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601407752 478823338 /nfs/dbraw/zinc/82/33/38/478823338.db2.gz DACVXCSRFZDBIT-XJKSGUPXSA-N 0 0 332.400 2.948 10 5 EFBERN O=C([C@@H]1Cc2ccc(Cl)cc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000601409285 478823553 /nfs/dbraw/zinc/82/35/53/478823553.db2.gz MIDZEQBQXBXPGU-OAHLLOKOSA-N 0 0 343.770 2.868 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000598438766 478825594 /nfs/dbraw/zinc/82/55/94/478825594.db2.gz ZOGWOPNOMXWIDQ-CQSZACIVSA-N 0 0 347.415 2.588 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC(C)(C)[C@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601416628 478826084 /nfs/dbraw/zinc/82/60/84/478826084.db2.gz UCJAXQSNDUUEHP-LLVKDONJSA-N 0 0 330.431 2.774 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601417380 478827502 /nfs/dbraw/zinc/82/75/02/478827502.db2.gz RGUAOPYAMZATPY-NSHDSACASA-N 0 0 330.431 2.775 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601428832 478830160 /nfs/dbraw/zinc/83/01/60/478830160.db2.gz GEZFYROAXLSCIG-YPMHNXCESA-N 0 0 342.442 2.774 10 5 EFBERN C[C@@]12COC[C@@H]1CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595517978 478831124 /nfs/dbraw/zinc/83/11/24/478831124.db2.gz HHHHARBCKSDLAK-MAUKXSAKSA-N 0 0 347.415 2.595 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2COC[C@@H]2C1 ZINC000595520936 478831852 /nfs/dbraw/zinc/83/18/52/478831852.db2.gz TVRYBWRCRHQWRY-HOTGVXAUSA-N 0 0 347.415 2.595 10 5 EFBERN CC1(C)OCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598454268 478832050 /nfs/dbraw/zinc/83/20/50/478832050.db2.gz LJRPXWDDKBJWBW-LBPRGKRZSA-N 0 0 333.388 2.714 10 5 EFBERN COc1cc(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)ccc1[N+](=O)[O-] ZINC000598455720 478833063 /nfs/dbraw/zinc/83/30/63/478833063.db2.gz GOGXJPZQTBJIJN-IAOVAPTHSA-N 0 0 342.326 2.811 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1[N+](=O)[O-] ZINC000598458489 478833834 /nfs/dbraw/zinc/83/38/34/478833834.db2.gz QTHXFDUVQGTDEJ-MBNYWOFBSA-N 0 0 344.346 2.649 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2ccon2)CC1 ZINC000595521898 478834695 /nfs/dbraw/zinc/83/46/95/478834695.db2.gz GOLJUWWWIRYGJT-UHFFFAOYSA-N 0 0 344.371 2.715 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@@H](C)CC(F)(F)F)c([N+](=O)[O-])s1 ZINC000601440648 478834793 /nfs/dbraw/zinc/83/47/93/478834793.db2.gz ZOQADFVIXUCGRJ-LURJTMIESA-N 0 0 346.352 2.832 10 5 EFBERN CNc1nccc(C(=O)N2CCCC[C@H]2CC2CCC2)c1[N+](=O)[O-] ZINC000598461081 478836354 /nfs/dbraw/zinc/83/63/54/478836354.db2.gz NOPIALNZYFGFEN-ZDUSSCGKSA-N 0 0 332.404 2.638 10 5 EFBERN CCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1C ZINC000598466871 478837441 /nfs/dbraw/zinc/83/74/41/478837441.db2.gz GZDATGHZSHMOCO-UHFFFAOYSA-N 0 0 331.328 2.958 10 5 EFBERN CC(C)(C)C(F)(F)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598465327 478837554 /nfs/dbraw/zinc/83/75/54/478837554.db2.gz LRIJELDFURLTBG-UHFFFAOYSA-N 0 0 326.303 2.882 10 5 EFBERN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)nc1C ZINC000598466466 478837571 /nfs/dbraw/zinc/83/75/71/478837571.db2.gz BFIMMSPNXFJEGB-UHFFFAOYSA-N 0 0 331.328 2.958 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCc3ccccc32)n1 ZINC000598469165 478839979 /nfs/dbraw/zinc/83/99/79/478839979.db2.gz KHXPOCOVEGUKKY-ZDUSSCGKSA-N 0 0 328.372 2.613 10 5 EFBERN COc1ccc(CNC(=O)NCC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000572464020 478840566 /nfs/dbraw/zinc/84/05/66/478840566.db2.gz WBULGFBPSOGLLF-UHFFFAOYSA-N 0 0 349.309 2.991 10 5 EFBERN CCCC[C@@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000592250802 478841021 /nfs/dbraw/zinc/84/10/21/478841021.db2.gz XNBGSDWXJLXFHZ-HNNXBMFYSA-N 0 0 325.365 2.666 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1SC ZINC000592250650 478841262 /nfs/dbraw/zinc/84/12/62/478841262.db2.gz UCAYOWKVDGHYOI-MCIONIFRSA-N 0 0 339.417 2.934 10 5 EFBERN O=C(N[C@H]1CCC[C@H]1CCO)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601474908 478847962 /nfs/dbraw/zinc/84/79/62/478847962.db2.gz WJJYXTDIUWGZER-BBRMVZONSA-N 0 0 332.400 2.684 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)[C@@H](C)c1ccccc1 ZINC000598479671 478848178 /nfs/dbraw/zinc/84/81/78/478848178.db2.gz UGIYQWNMUHPLHP-SUMWQHHRSA-N 0 0 328.368 2.798 10 5 EFBERN Cc1noc(CN2CCC[C@H]2COc2cccnc2C)c1[N+](=O)[O-] ZINC000595549384 478849520 /nfs/dbraw/zinc/84/95/20/478849520.db2.gz DOZVAWKCLLHARI-ZDUSSCGKSA-N 0 0 332.360 2.638 10 5 EFBERN Cc1cccc2c1CCC[C@@H]2NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598482813 478850666 /nfs/dbraw/zinc/85/06/66/478850666.db2.gz ZXNMTDZYFWCPMQ-AWEZNQCLSA-N 0 0 326.356 2.518 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCCC12CC2 ZINC000601481428 478851604 /nfs/dbraw/zinc/85/16/04/478851604.db2.gz FVIATSGGJHYONX-LLVKDONJSA-N 0 0 330.793 2.859 10 5 EFBERN C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000592296483 478856009 /nfs/dbraw/zinc/85/60/09/478856009.db2.gz SVOPEGPTHGVHEP-ZETCQYMHSA-N 0 0 349.721 2.594 10 5 EFBERN O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505295978 478864172 /nfs/dbraw/zinc/86/41/72/478864172.db2.gz OQCUBDXIEJZXDN-UHFFFAOYSA-N 0 0 330.222 2.511 10 5 EFBERN C[C@@H]1[C@@H](CO)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505387894 478867035 /nfs/dbraw/zinc/86/70/35/478867035.db2.gz IZJMHSFYTVTXRO-ZYHUDNBSSA-N 0 0 347.396 2.561 10 5 EFBERN C[C@H]1[C@H](CO)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505387892 478867286 /nfs/dbraw/zinc/86/72/86/478867286.db2.gz IZJMHSFYTVTXRO-JQWIXIFHSA-N 0 0 347.396 2.561 10 5 EFBERN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000598505729 478867436 /nfs/dbraw/zinc/86/74/36/478867436.db2.gz CJTWJJNFSISYPU-SKDRFNHKSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000598505727 478867483 /nfs/dbraw/zinc/86/74/83/478867483.db2.gz CJTWJJNFSISYPU-CABZTGNLSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000598508463 478869623 /nfs/dbraw/zinc/86/96/23/478869623.db2.gz QPDQUGMFBCTORI-UWVGGRQHSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000598508378 478869843 /nfs/dbraw/zinc/86/98/43/478869843.db2.gz PNUWPRYABUWRRC-GWCFXTLKSA-N 0 0 346.305 2.706 10 5 EFBERN CCCN1C(=O)N=NC1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505460984 478870409 /nfs/dbraw/zinc/87/04/09/478870409.db2.gz HMKLCKKBSPZRPJ-UHFFFAOYSA-N 0 0 330.316 2.872 10 5 EFBERN Cc1sc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598510301 478870985 /nfs/dbraw/zinc/87/09/85/478870985.db2.gz OXNLTJKKSGCVAC-AWEZNQCLSA-N 0 0 345.424 2.969 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])NCc1cccc2c1CCOC2 ZINC000601555591 478877103 /nfs/dbraw/zinc/87/71/03/478877103.db2.gz PRONQTFQVPSREY-UHFFFAOYSA-N 0 0 341.367 2.667 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601556158 478877250 /nfs/dbraw/zinc/87/72/50/478877250.db2.gz RBAICBXMUIIKTF-HZPDHXFCSA-N 0 0 333.388 2.742 10 5 EFBERN O=[N+]([O-])c1ccc(NS(=O)(=O)CCCC2CCOCC2)cc1 ZINC000592382559 478877917 /nfs/dbraw/zinc/87/79/17/478877917.db2.gz QBGPHBYTGDFRAE-UHFFFAOYSA-N 0 0 328.390 2.543 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601560584 478879842 /nfs/dbraw/zinc/87/98/42/478879842.db2.gz HWOMKZSGQAGIJI-HOTGVXAUSA-N 0 0 333.388 2.742 10 5 EFBERN CCCn1nccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000505755902 478883834 /nfs/dbraw/zinc/88/38/34/478883834.db2.gz HZJIZFXDBAPPSV-UHFFFAOYSA-N 0 0 331.376 2.908 10 5 EFBERN Cc1cc(OCC(=O)N[C@@H](c2ccccc2)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000598538298 478884738 /nfs/dbraw/zinc/88/47/38/478884738.db2.gz ACURNJCYRVKBQY-FZKQIMNGSA-N 0 0 344.367 2.520 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598540334 478886684 /nfs/dbraw/zinc/88/66/84/478886684.db2.gz CWGYBGKNTCQJQA-HDICACEKSA-N 0 0 348.374 2.696 10 5 EFBERN C[C@@H]1COCC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601575999 478886916 /nfs/dbraw/zinc/88/69/16/478886916.db2.gz JCZPIUNRWZNJAN-ZIAGYGMSSA-N 0 0 332.400 2.805 10 5 EFBERN NC(=O)c1ccc(CN2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000595614822 478888481 /nfs/dbraw/zinc/88/84/81/478888481.db2.gz ITCZQPPJSRHRAB-UHFFFAOYSA-N 0 0 329.356 2.666 10 5 EFBERN Cc1nn(C)c(C)c1CCCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000572662803 478890414 /nfs/dbraw/zinc/89/04/14/478890414.db2.gz VNAPFFIFAHBXLR-UHFFFAOYSA-N 0 0 347.419 2.594 10 5 EFBERN Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034670 478890453 /nfs/dbraw/zinc/89/04/53/478890453.db2.gz DKGVKPNVBDDVFX-FUNVUKJBSA-N 0 0 333.388 2.663 10 5 EFBERN COCC1(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC000598551644 478891364 /nfs/dbraw/zinc/89/13/64/478891364.db2.gz SKVPXCXXMRYYSM-UHFFFAOYSA-N 0 0 342.342 2.881 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC3CC2(c2ccccc2)C3)n1 ZINC000598554854 478892296 /nfs/dbraw/zinc/89/22/96/478892296.db2.gz OKYBMSJFVGZJFD-UHFFFAOYSA-N 0 0 326.356 2.573 10 5 EFBERN Cc1sc(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598561800 478895523 /nfs/dbraw/zinc/89/55/23/478895523.db2.gz BAAUXWZNHPHYGG-UHLUBPPHSA-N 0 0 334.344 2.849 10 5 EFBERN C[C@@H](C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598562235 478897506 /nfs/dbraw/zinc/89/75/06/478897506.db2.gz CMKPKOMOQPOOFZ-UVWXRNBGSA-N 0 0 342.342 2.969 10 5 EFBERN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 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ZINC000596142130 479161529 /nfs/dbraw/zinc/16/15/29/479161529.db2.gz DNYYFCAWPWTBMA-MRVPVSSYSA-N 0 0 348.808 2.561 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](CCO)CSC)ccc1[N+](=O)[O-] ZINC000596142131 479161589 /nfs/dbraw/zinc/16/15/89/479161589.db2.gz DNYYFCAWPWTBMA-QMMMGPOBSA-N 0 0 348.808 2.561 10 5 EFBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1=O ZINC000596142289 479161736 /nfs/dbraw/zinc/16/17/36/479161736.db2.gz KYSZPXBBBDKYBQ-QRTLGDNMSA-N 0 0 325.315 2.954 10 5 EFBERN Cc1cn2c(n1)C[C@@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000599113257 479165038 /nfs/dbraw/zinc/16/50/38/479165038.db2.gz NBBDPYDDXCUTFA-LBPRGKRZSA-N 0 0 325.328 2.880 10 5 EFBERN Cc1cn2c(n1)C[C@@H](c1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000599114813 479165926 /nfs/dbraw/zinc/16/59/26/479165926.db2.gz CYCPZTAFHOXUPA-LBPRGKRZSA-N 0 0 325.328 2.880 10 5 EFBERN Cc1cn2c(n1)C[C@H](c1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000599114812 479166213 /nfs/dbraw/zinc/16/62/13/479166213.db2.gz CYCPZTAFHOXUPA-GFCCVEGCSA-N 0 0 325.328 2.880 10 5 EFBERN Cc1c(Br)c(NCC[C@@H]2CCCOC2)ncc1[N+](=O)[O-] ZINC000599117841 479166913 /nfs/dbraw/zinc/16/69/13/479166913.db2.gz XYKKIBQTKFFRCB-JTQLQIEISA-N 0 0 344.209 2.711 10 5 EFBERN Nc1c(F)c(NC[C@@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000599117813 479166989 /nfs/dbraw/zinc/16/69/89/479166989.db2.gz RXQHDBIFDWIXNZ-SECBINFHSA-N 0 0 333.245 2.728 10 5 EFBERN CCOC(=O)[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596153427 479167182 /nfs/dbraw/zinc/16/71/82/479167182.db2.gz QWZWNZMQPGJZDX-QMMMGPOBSA-N 0 0 344.751 2.646 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000584532821 479168849 /nfs/dbraw/zinc/16/88/49/479168849.db2.gz HZBLGGIVHJZIEJ-GXFFZTMASA-N 0 0 325.365 2.522 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000584532823 479168890 /nfs/dbraw/zinc/16/88/90/479168890.db2.gz HZBLGGIVHJZIEJ-ZWNOBZJWSA-N 0 0 325.365 2.522 10 5 EFBERN COC(=O)c1cc(C)nc(S[C@@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000599126285 479169794 /nfs/dbraw/zinc/16/97/94/479169794.db2.gz ZOFOHRKQEROUIE-VIFPVBQESA-N 0 0 326.374 2.744 10 5 EFBERN COC(=O)Cc1ccc(S[C@H]2COC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000599125897 479170131 /nfs/dbraw/zinc/17/01/31/479170131.db2.gz TWNVRQHTMWRSDY-LLVKDONJSA-N 0 0 325.386 2.970 10 5 EFBERN O=[N+]([O-])c1cc(NC[C@]2(CCO)CCOC2)ccc1C(F)(F)F ZINC000596159763 479170580 /nfs/dbraw/zinc/17/05/80/479170580.db2.gz JJYISBOCJOMJGC-ZDUSSCGKSA-N 0 0 334.294 2.815 10 5 EFBERN Cc1cc(NC[C@H](O)[C@@H]2CCCO2)c(Br)cc1[N+](=O)[O-] ZINC000599133079 479173412 /nfs/dbraw/zinc/17/34/12/479173412.db2.gz STZUWTXRPLCLSB-STQMWFEESA-N 0 0 345.193 2.618 10 5 EFBERN Cc1cc(NC[C@H](O)[C@H]2CCCO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599133291 479175042 /nfs/dbraw/zinc/17/50/42/479175042.db2.gz UDGINGROEFZTLE-QWHCGFSZSA-N 0 0 334.294 2.874 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC(CC(F)(F)F)C1 ZINC000610749487 479175194 /nfs/dbraw/zinc/17/51/94/479175194.db2.gz XTVKDRZDIQJGGV-UHFFFAOYSA-N 0 0 347.293 2.567 10 5 EFBERN O=c1[nH]ccc(N[C@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000596167098 479175732 /nfs/dbraw/zinc/17/57/32/479175732.db2.gz CZGSYNHPAVXBCK-JTQLQIEISA-N 0 0 325.390 2.552 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596169678 479177007 /nfs/dbraw/zinc/17/70/07/479177007.db2.gz JXXQBHIZTYZELL-VIFPVBQESA-N 0 0 328.752 2.650 10 5 EFBERN NC(=O)c1cc(NCc2ccn(C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000596168205 479177115 /nfs/dbraw/zinc/17/71/15/479177115.db2.gz QOOVKYWCTKFSDK-UHFFFAOYSA-N 0 0 329.360 2.617 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2cc(F)ccc2C1 ZINC000599139847 479177525 /nfs/dbraw/zinc/17/75/25/479177525.db2.gz RBDXPAVBAUNMDD-AWEZNQCLSA-N 0 0 344.342 2.644 10 5 EFBERN CCOc1cccc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000610755428 479177794 /nfs/dbraw/zinc/17/77/94/479177794.db2.gz BUNIRNICKKYMEN-UHFFFAOYSA-N 0 0 330.344 2.753 10 5 EFBERN CCOCCO[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596171362 479178174 /nfs/dbraw/zinc/17/81/74/479178174.db2.gz LEAOANWRSCGWJA-NSHDSACASA-N 0 0 344.795 2.889 10 5 EFBERN Cc1ccc(C(C)(C)CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)nc1 ZINC000599142900 479178688 /nfs/dbraw/zinc/17/86/88/479178688.db2.gz YZMWFOVRQYBORG-UHFFFAOYSA-N 0 0 325.372 2.986 10 5 EFBERN CCNC(=O)C(C)(C)CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596169935 479178642 /nfs/dbraw/zinc/17/86/42/479178642.db2.gz LPXSCMAZHABHGB-UHFFFAOYSA-N 0 0 329.784 2.831 10 5 EFBERN O=[N+]([O-])c1ncccc1NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000599141083 479179005 /nfs/dbraw/zinc/17/90/05/479179005.db2.gz ZLHHWFAOCSLTLC-AWEZNQCLSA-N 0 0 348.790 2.961 10 5 EFBERN CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000610760381 479179320 /nfs/dbraw/zinc/17/93/20/479179320.db2.gz DNSSFWJAYDTGEL-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN COc1cc(N2CC[C@H](c3nccn3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596174187 479180058 /nfs/dbraw/zinc/18/00/58/479180058.db2.gz ITLZHBBMETWZLU-JTQLQIEISA-N 0 0 336.779 2.984 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](c1cccnc1)C1CC1 ZINC000593109501 479180178 /nfs/dbraw/zinc/18/01/78/479180178.db2.gz ZEAPIEYFGPXTNQ-QGZVFWFLSA-N 0 0 329.331 2.939 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000596175727 479180955 /nfs/dbraw/zinc/18/09/55/479180955.db2.gz RTAOIJDNAINSSG-QMMMGPOBSA-N 0 0 330.793 2.977 10 5 EFBERN CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596176515 479181507 /nfs/dbraw/zinc/18/15/07/479181507.db2.gz HNSMFDNHFYPPKC-PSASIEDQSA-N 0 0 327.768 2.583 10 5 EFBERN COc1ccc(CNC(=O)NC[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000596177046 479181745 /nfs/dbraw/zinc/18/17/45/479181745.db2.gz CAZWOXTXPJYVIK-GFCCVEGCSA-N 0 0 344.371 2.601 10 5 EFBERN Cc1ccccc1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000610769128 479182615 /nfs/dbraw/zinc/18/26/15/479182615.db2.gz NCNPYAAYYFXUAM-UHFFFAOYSA-N 0 0 339.311 2.529 10 5 EFBERN CCOc1cc(CN2CCO[C@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000569807143 479182619 /nfs/dbraw/zinc/18/26/19/479182619.db2.gz AKZZLTXUWBZFIS-MRXNPFEDSA-N 0 0 338.429 2.701 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N2CC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593115224 479183184 /nfs/dbraw/zinc/18/31/84/479183184.db2.gz AOAKZSVTERIBQW-XHDPSFHLSA-N 0 0 339.342 2.961 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)N2CC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593115221 479183640 /nfs/dbraw/zinc/18/36/40/479183640.db2.gz AOAKZSVTERIBQW-ABAIWWIYSA-N 0 0 339.342 2.961 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596180042 479184423 /nfs/dbraw/zinc/18/44/23/479184423.db2.gz WSAPUXZSDLQIQH-ZJUUUORDSA-N 0 0 341.795 2.564 10 5 EFBERN CCc1nn(C)c(NC[C@H](C(=O)OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000599159757 479186283 /nfs/dbraw/zinc/18/62/83/479186283.db2.gz QGTLLVSXCASCBB-LBPRGKRZSA-N 0 0 338.408 2.672 10 5 EFBERN CCC[C@@H](C)[C@H](CO)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000573972601 479186635 /nfs/dbraw/zinc/18/66/35/479186635.db2.gz BXHIFMJZDKKPRG-DOMZBBRYSA-N 0 0 337.420 2.942 10 5 EFBERN COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000599159819 479186830 /nfs/dbraw/zinc/18/68/30/479186830.db2.gz UCEHYDUJVJDQBU-GFCCVEGCSA-N 0 0 325.340 2.910 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCc3nc(C4CC4)ncc3C2)c(Cl)c1 ZINC000599159706 479187265 /nfs/dbraw/zinc/18/72/65/479187265.db2.gz CDUJYEJMMBHGHJ-UHFFFAOYSA-N 0 0 331.763 2.873 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C(=O)OC)C1CCCCC1 ZINC000599160360 479188479 /nfs/dbraw/zinc/18/84/79/479188479.db2.gz ZUZJQCPDDWNIJA-CYBMUJFWSA-N 0 0 338.408 2.901 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CCOCC2(CC2)C1 ZINC000596188854 479189147 /nfs/dbraw/zinc/18/91/47/479189147.db2.gz CVVVDCVCRZKSDZ-UHFFFAOYSA-N 0 0 327.178 2.974 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596188249 479189250 /nfs/dbraw/zinc/18/92/50/479189250.db2.gz UTVKKTZOLQSAEL-CXAGYDPISA-N 0 0 343.383 2.559 10 5 EFBERN COC(=O)c1c(Cl)c(NCc2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000596189367 479189386 /nfs/dbraw/zinc/18/93/86/479189386.db2.gz IFUMTYGBVMFABM-UHFFFAOYSA-N 0 0 338.751 2.689 10 5 EFBERN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000599164469 479189671 /nfs/dbraw/zinc/18/96/71/479189671.db2.gz LXIZPEHILVFXMJ-NOZJJQNGSA-N 0 0 344.314 2.643 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000599164825 479189688 /nfs/dbraw/zinc/18/96/88/479189688.db2.gz OUWSVZRPSZBCDH-SDCKUUTBSA-N 0 0 330.182 2.976 10 5 EFBERN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000610789901 479190093 /nfs/dbraw/zinc/19/00/93/479190093.db2.gz RHRPNYPIWLFZPL-CQSZACIVSA-N 0 0 335.747 2.761 10 5 EFBERN COc1cc(NC[C@@H]2CCCCS2(=O)=O)c(Cl)cc1[N+](=O)[O-] ZINC000596191553 479190315 /nfs/dbraw/zinc/19/03/15/479190315.db2.gz XPBGSAVRHJIZNC-VIFPVBQESA-N 0 0 348.808 2.636 10 5 EFBERN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602125855 479190970 /nfs/dbraw/zinc/19/09/70/479190970.db2.gz SBJAPVBSZPSZKB-HUUCEWRRSA-N 0 0 326.356 2.613 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2c3ccccc3C(=O)N2C)n1 ZINC000599166132 479191167 /nfs/dbraw/zinc/19/11/67/479191167.db2.gz WBDWMAJEBWAAPZ-AWEZNQCLSA-N 0 0 326.356 2.845 10 5 EFBERN CC1(C)[C@H](c2ccc(F)cc2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000599166680 479191288 /nfs/dbraw/zinc/19/12/88/479191288.db2.gz SXNHMKINROLYPL-LBPRGKRZSA-N 0 0 331.351 2.709 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)[C@@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000596195775 479191415 /nfs/dbraw/zinc/19/14/15/479191415.db2.gz HOYIQPIJTDBQMU-SNVBAGLBSA-N 0 0 344.795 2.878 10 5 EFBERN Cc1cncn1Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000599165430 479191461 /nfs/dbraw/zinc/19/14/61/479191461.db2.gz RWHZXSAKOXXBKI-UHFFFAOYSA-N 0 0 340.343 2.556 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)c2ccncc2)c1C ZINC000610800443 479192617 /nfs/dbraw/zinc/19/26/17/479192617.db2.gz WYMSUGNLYDFZLB-LBPRGKRZSA-N 0 0 349.412 2.689 10 5 EFBERN COC(=O)C(C)(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000610804063 479192776 /nfs/dbraw/zinc/19/27/76/479192776.db2.gz JWVZUVHIFBKYOW-AWEZNQCLSA-N 0 0 345.355 2.593 10 5 EFBERN CC(C)(CNc1nc2ccccc2cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599169935 479193057 /nfs/dbraw/zinc/19/30/57/479193057.db2.gz LGMAVWCTQZPVHF-UHFFFAOYSA-N 0 0 342.399 2.625 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(C3(c4cccc(F)c4)CC3)no2)n1 ZINC000599174544 479195510 /nfs/dbraw/zinc/19/55/10/479195510.db2.gz SVTKRLLOLMHONI-UHFFFAOYSA-N 0 0 329.291 2.597 10 5 EFBERN CS(=O)(=O)c1cncc(Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000584633470 479196047 /nfs/dbraw/zinc/19/60/47/479196047.db2.gz LQFVHLMGNFROTG-UHFFFAOYSA-N 0 0 327.749 2.790 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000596203439 479196270 /nfs/dbraw/zinc/19/62/70/479196270.db2.gz NHFYDXVRNYSUPR-MGCOHNPYSA-N 0 0 342.779 2.775 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000596201193 479196416 /nfs/dbraw/zinc/19/64/16/479196416.db2.gz UBNDLIHHPUPDCO-ZJUUUORDSA-N 0 0 328.752 2.606 10 5 EFBERN CC(C)NC(=O)c1ccc(N[C@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000599180528 479197932 /nfs/dbraw/zinc/19/79/32/479197932.db2.gz LDYDJMSRXDKHQX-CJNGLKHVSA-N 0 0 333.388 2.712 10 5 EFBERN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000610824258 479198193 /nfs/dbraw/zinc/19/81/93/479198193.db2.gz WBACXHQSFQKYCI-AWEZNQCLSA-N 0 0 345.355 2.593 10 5 EFBERN CCOCCOCCN(C)c1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596205227 479198372 /nfs/dbraw/zinc/19/83/72/479198372.db2.gz HCZQIHMRLYJBKI-UHFFFAOYSA-N 0 0 332.784 2.746 10 5 EFBERN COCc1ccc(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])cc1OC ZINC000599183023 479199176 /nfs/dbraw/zinc/19/91/76/479199176.db2.gz VXYZMHLALIQARS-UHFFFAOYSA-N 0 0 347.327 2.675 10 5 EFBERN COC(=O)c1c(Cl)c(NCC2(CCO)CC2)ccc1[N+](=O)[O-] ZINC000596207719 479199404 /nfs/dbraw/zinc/19/94/04/479199404.db2.gz DWGMTRMJOOAFIU-UHFFFAOYSA-N 0 0 328.752 2.609 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@H]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000596207992 479199647 /nfs/dbraw/zinc/19/96/47/479199647.db2.gz UPSIAIZENIBVLW-BDAKNGLRSA-N 0 0 328.752 2.608 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000596207129 479199808 /nfs/dbraw/zinc/19/98/08/479199808.db2.gz BPHXJMRKFDSKIZ-NXEZZACHSA-N 0 0 342.779 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596209344 479201033 /nfs/dbraw/zinc/20/10/33/479201033.db2.gz SORZGOBGSCIISY-IUCAKERBSA-N 0 0 328.752 2.872 10 5 EFBERN CC(C)[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000596211084 479202755 /nfs/dbraw/zinc/20/27/55/479202755.db2.gz PILONPGJWRGBKS-INIZCTEOSA-N 0 0 347.415 2.747 10 5 EFBERN Cc1c(Cc2nc([C@@H](C)c3cnccn3)no2)cccc1[N+](=O)[O-] ZINC000599194333 479203641 /nfs/dbraw/zinc/20/36/41/479203641.db2.gz JRNFUEAKXAJZCQ-NSHDSACASA-N 0 0 325.328 2.819 10 5 EFBERN CCC(=O)c1ccc(N[C@@H]2CCO[C@@H]2c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000599194600 479203690 /nfs/dbraw/zinc/20/36/90/479203690.db2.gz GKQKGANYXBOSJG-DOMZBBRYSA-N 0 0 346.343 2.821 10 5 EFBERN Cc1c(Cc2nc([C@H](C)c3cnccn3)no2)cccc1[N+](=O)[O-] ZINC000599194332 479204022 /nfs/dbraw/zinc/20/40/22/479204022.db2.gz JRNFUEAKXAJZCQ-LLVKDONJSA-N 0 0 325.328 2.819 10 5 EFBERN CC1(c2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000599197497 479205246 /nfs/dbraw/zinc/20/52/46/479205246.db2.gz IRNXJUCBNCGJCL-UHFFFAOYSA-N 0 0 344.371 2.782 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H](O)COCc2ccccc2)n1 ZINC000599198726 479205510 /nfs/dbraw/zinc/20/55/10/479205510.db2.gz PNLHXWSSUXJALJ-MRXNPFEDSA-N 0 0 345.399 2.986 10 5 EFBERN COCCO[C@@H]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596220667 479207048 /nfs/dbraw/zinc/20/70/48/479207048.db2.gz CWOXVKYVHBBETO-LLVKDONJSA-N 0 0 344.795 2.889 10 5 EFBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1C1CCC1 ZINC000599205311 479208541 /nfs/dbraw/zinc/20/85/41/479208541.db2.gz DPXUMTUECBXEJJ-NSHDSACASA-N 0 0 341.314 2.762 10 5 EFBERN Cc1ccncc1N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596221475 479208684 /nfs/dbraw/zinc/20/86/84/479208684.db2.gz XLBMCLGBWWISLA-UHFFFAOYSA-N 0 0 333.779 2.673 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000596220806 479208893 /nfs/dbraw/zinc/20/88/93/479208893.db2.gz BLMLWAVGMHRYSW-HNNXBMFYSA-N 0 0 342.779 2.776 10 5 EFBERN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602160258 479209168 /nfs/dbraw/zinc/20/91/68/479209168.db2.gz MIMXWERREBCVFK-NUEKZKHPSA-N 0 0 340.383 2.828 10 5 EFBERN COC(=O)c1c(Cl)c(NCCC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000596224404 479209624 /nfs/dbraw/zinc/20/96/24/479209624.db2.gz CQDGAKAAZMNXMG-UHFFFAOYSA-N 0 0 328.752 2.752 10 5 EFBERN COC(=O)c1c(Cl)c(NCc2cc(C)nn2C)ccc1[N+](=O)[O-] ZINC000596225498 479209691 /nfs/dbraw/zinc/20/96/91/479209691.db2.gz JFHRRUWZCYKGSI-UHFFFAOYSA-N 0 0 338.751 2.689 10 5 EFBERN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H](CC1CC1)c1ccccc1 ZINC000610864383 479213444 /nfs/dbraw/zinc/21/34/44/479213444.db2.gz SQJWWUMUULQJCZ-INIZCTEOSA-N 0 0 343.387 2.632 10 5 EFBERN COc1cc(N2CCO[C@]3(CCCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596234157 479214151 /nfs/dbraw/zinc/21/41/51/479214151.db2.gz OLYGZCYZGCFBEK-OAHLLOKOSA-N 0 0 342.779 2.643 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)c2nnc(C)[nH]2)ccc1[N+](=O)[O-] ZINC000596232181 479214307 /nfs/dbraw/zinc/21/43/07/479214307.db2.gz QWNNIVARXPLHGA-ZCFIWIBFSA-N 0 0 339.739 2.634 10 5 EFBERN O=[N+]([O-])c1cc(N2CCO[C@@]3(CCCOC3)C2)ccc1C(F)(F)F ZINC000596232776 479214787 /nfs/dbraw/zinc/21/47/87/479214787.db2.gz FPZGOJUZXKVFLS-AWEZNQCLSA-N 0 0 346.305 2.999 10 5 EFBERN CC[C@H](NC(=O)NCc1ccc[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000599228637 479214901 /nfs/dbraw/zinc/21/49/01/479214901.db2.gz XCHVBVBXGIHTQF-AWEZNQCLSA-N 0 0 330.344 2.646 10 5 EFBERN Cc1nc(C(C)C)oc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596239697 479217318 /nfs/dbraw/zinc/21/73/18/479217318.db2.gz JUWOILKTKOHAPL-UHFFFAOYSA-N 0 0 327.344 2.992 10 5 EFBERN CCc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000610876719 479219397 /nfs/dbraw/zinc/21/93/97/479219397.db2.gz AGZUXLFGCWHYLM-UHFFFAOYSA-N 0 0 330.344 2.764 10 5 EFBERN COC(=O)c1c(Cl)c(NCc2snnc2C)ccc1[N+](=O)[O-] ZINC000596240684 479219549 /nfs/dbraw/zinc/21/95/49/479219549.db2.gz DQIFLHHQLQEGTP-UHFFFAOYSA-N 0 0 342.764 2.807 10 5 EFBERN CCN(c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)[C@H]1CCOC1 ZINC000596242214 479219971 /nfs/dbraw/zinc/21/99/71/479219971.db2.gz RKTJYBFOHHVPMS-VIFPVBQESA-N 0 0 328.752 2.650 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@]2(O)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596247844 479222750 /nfs/dbraw/zinc/22/27/50/479222750.db2.gz RHAFOWNWMRBKKE-PSLIRLAXSA-N 0 0 342.779 2.998 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593182548 479224941 /nfs/dbraw/zinc/22/49/41/479224941.db2.gz SWYCHKCPRHZJHT-INIZCTEOSA-N 0 0 349.387 2.930 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1c2c(nn1C)CCCC2 ZINC000610892851 479225185 /nfs/dbraw/zinc/22/51/85/479225185.db2.gz LCMHDNIWJYBULX-LLVKDONJSA-N 0 0 340.383 2.799 10 5 EFBERN COC(=O)c1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000610892774 479225251 /nfs/dbraw/zinc/22/52/51/479225251.db2.gz LXYNHGODLFOQRS-UHFFFAOYSA-N 0 0 332.287 2.797 10 5 EFBERN Cc1cc(NC[C@@H]2CS(=O)(=O)c3ccccc32)c([N+](=O)[O-])s1 ZINC000596255209 479226462 /nfs/dbraw/zinc/22/64/62/479226462.db2.gz MFAVXYOBHYHZFE-SNVBAGLBSA-N 0 0 338.410 2.948 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@H](OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596255630 479227350 /nfs/dbraw/zinc/22/73/50/479227350.db2.gz VJGBZYNMWAJAEE-CABZTGNLSA-N 0 0 342.779 2.896 10 5 EFBERN COC(=O)C1(COc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000596258893 479228148 /nfs/dbraw/zinc/22/81/48/479228148.db2.gz NWKJDQYMHZASKZ-UHFFFAOYSA-N 0 0 330.134 2.689 10 5 EFBERN CCc1nc(CSCc2cc(C(=O)OC)ccc2[N+](=O)[O-])no1 ZINC000593187488 479228302 /nfs/dbraw/zinc/22/83/02/479228302.db2.gz MCYGQQBQJOYCOA-UHFFFAOYSA-N 0 0 337.357 2.760 10 5 EFBERN CN(C[C@@H]1CCCO1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599273716 479230670 /nfs/dbraw/zinc/23/06/70/479230670.db2.gz HKRKRMMCWPXVDN-VIFPVBQESA-N 0 0 343.177 2.608 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596278881 479235332 /nfs/dbraw/zinc/23/53/32/479235332.db2.gz NSAORDZUJXIDMQ-VHSXEESVSA-N 0 0 342.779 2.632 10 5 EFBERN Cc1cc(C[C@@H](C)Nc2ccncc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000610946687 479239659 /nfs/dbraw/zinc/23/96/59/479239659.db2.gz GRWPVMXRSQASJR-CYBMUJFWSA-N 0 0 337.383 2.949 10 5 EFBERN O=C(N[C@@H]1CCCn2nccc21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602212882 479239988 /nfs/dbraw/zinc/23/99/88/479239988.db2.gz JTCXMHXHNVNZNS-RRFJBIMHSA-N 0 0 326.356 2.546 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1[N+](=O)[O-] ZINC000596290121 479240081 /nfs/dbraw/zinc/24/00/81/479240081.db2.gz KAFRPTFIMAYCNR-ZOFUNIGCSA-N 0 0 326.736 2.767 10 5 EFBERN NC(=O)c1cc(N[C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000596295670 479243234 /nfs/dbraw/zinc/24/32/34/479243234.db2.gz BTKGBJDAEAVHCC-JOYOIKCWSA-N 0 0 347.293 2.606 10 5 EFBERN NC(=O)c1cc(N[C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000596295671 479243363 /nfs/dbraw/zinc/24/33/63/479243363.db2.gz BTKGBJDAEAVHCC-SKDRFNHKSA-N 0 0 347.293 2.606 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCc2ccccc21 ZINC000596295459 479243486 /nfs/dbraw/zinc/24/34/86/479243486.db2.gz NAYRTRFGLQUSDR-GFCCVEGCSA-N 0 0 325.368 2.860 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc3c([nH]c2=O)CCCC3)c1 ZINC000593216043 479244219 /nfs/dbraw/zinc/24/42/19/479244219.db2.gz QPZZWMGFSDTURQ-UHFFFAOYSA-N 0 0 343.339 2.835 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000556971923 479244531 /nfs/dbraw/zinc/24/45/31/479244531.db2.gz PZHFLCICYZENSP-QWRGUYRKSA-N 0 0 343.330 2.544 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000593218926 479245005 /nfs/dbraw/zinc/24/50/05/479245005.db2.gz MJBDPPHVYRJKBQ-QGZVFWFLSA-N 0 0 346.362 2.580 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cc2c([nH]c1=O)CCCC2 ZINC000593218251 479245450 /nfs/dbraw/zinc/24/54/50/479245450.db2.gz PJRMTEZDKUDJEC-UHFFFAOYSA-N 0 0 345.330 2.895 10 5 EFBERN CCOc1cc(Cn2ncc(C(F)(F)F)cc2=O)ccc1[N+](=O)[O-] ZINC000596309341 479248078 /nfs/dbraw/zinc/24/80/78/479248078.db2.gz ZCDVHMJEMVLJJG-UHFFFAOYSA-N 0 0 343.261 2.617 10 5 EFBERN C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000596312495 479249318 /nfs/dbraw/zinc/24/93/18/479249318.db2.gz KTPBOVFWHFGZQG-SECBINFHSA-N 0 0 341.414 2.670 10 5 EFBERN CO[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596316298 479251591 /nfs/dbraw/zinc/25/15/91/479251591.db2.gz DUFJCOQAPFDVBQ-TVQRCGJNSA-N 0 0 345.193 2.821 10 5 EFBERN CO[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)[C@H]1CCOC1 ZINC000596319430 479252751 /nfs/dbraw/zinc/25/27/51/479252751.db2.gz YCLMILJNMIJFKZ-ZANVPECISA-N 0 0 332.303 2.660 10 5 EFBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCOC1 ZINC000596319651 479252944 /nfs/dbraw/zinc/25/29/44/479252944.db2.gz YZRFSRUYSQHEFT-RNCFNFMXSA-N 0 0 332.303 2.660 10 5 EFBERN CS(=O)(=O)CC1(CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000596318161 479253154 /nfs/dbraw/zinc/25/31/54/479253154.db2.gz XZFSDMIXCLSEMQ-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN O=[N+]([O-])c1cc(N2CC[C@@H](Cn3ccnn3)C2)ccc1C(F)(F)F ZINC000596321288 479253677 /nfs/dbraw/zinc/25/36/77/479253677.db2.gz HQOMCGXZDWYANB-SNVBAGLBSA-N 0 0 341.293 2.732 10 5 EFBERN CC(C)n1cnc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000593234117 479253765 /nfs/dbraw/zinc/25/37/65/479253765.db2.gz YRVKVEUNAZOINB-UHFFFAOYSA-N 0 0 341.274 2.621 10 5 EFBERN CO[C@H]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000557105739 479254555 /nfs/dbraw/zinc/25/45/55/479254555.db2.gz YPASVLSEHDTPIU-PBHICJAKSA-N 0 0 345.399 2.940 10 5 EFBERN Cn1nccc1[C@@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000574273737 479254679 /nfs/dbraw/zinc/25/46/79/479254679.db2.gz VJOOYXOGVOIAHT-CQSZACIVSA-N 0 0 341.415 2.986 10 5 EFBERN COC[C@H](CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)OC ZINC000596326931 479255039 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CC(C)(C)O[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C12CCC2 ZINC000596510187 479322641 /nfs/dbraw/zinc/32/26/41/479322641.db2.gz ORWXDSDMFBCHNH-NWDGAFQWSA-N 0 0 348.403 2.627 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@@H]2C(C)(C)C2(F)F)c1[N+](=O)[O-] ZINC000596512289 479323162 /nfs/dbraw/zinc/32/31/62/479323162.db2.gz CHDFLRVNAHMNCS-SECBINFHSA-N 0 0 329.303 2.870 10 5 EFBERN Cc1cc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)ccc1[N+](=O)[O-] ZINC000596514048 479323426 /nfs/dbraw/zinc/32/34/26/479323426.db2.gz GBDIGZDGWWLIRC-IAGOWNOFSA-N 0 0 331.416 2.959 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000596514733 479323981 /nfs/dbraw/zinc/32/39/81/479323981.db2.gz BVVAKXHHVBHVMQ-HZPDHXFCSA-N 0 0 335.379 2.789 10 5 EFBERN CC(C)[C@@H](O)[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000596517307 479324962 /nfs/dbraw/zinc/32/49/62/479324962.db2.gz MBELGJWWVHKYPE-FUHWJXTLSA-N 0 0 345.399 2.839 10 5 EFBERN CCS(=O)(=O)C1(CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000596520790 479325764 /nfs/dbraw/zinc/32/57/64/479325764.db2.gz IIBHPVVKUMMJDS-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN CCS(=O)(=O)C1(CNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000596520871 479325897 /nfs/dbraw/zinc/32/58/97/479325897.db2.gz JYWBZMBZKYVUPV-UHFFFAOYSA-N 0 0 332.809 2.936 10 5 EFBERN CCS(=O)(=O)C1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000596522191 479327017 /nfs/dbraw/zinc/32/70/17/479327017.db2.gz WXFJEGWTEPSXQC-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000611265046 479329181 /nfs/dbraw/zinc/32/91/81/479329181.db2.gz REAVRFGGDDWNBB-UHFFFAOYSA-N 0 0 340.383 2.808 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1NCC1(O)CCC(F)(F)CC1)CCN2 ZINC000596527332 479329325 /nfs/dbraw/zinc/32/93/25/479329325.db2.gz CHCKDXMXKOQVNQ-UHFFFAOYSA-N 0 0 327.331 2.915 10 5 EFBERN COc1cc(NCC(C)(C)[C@]2(O)CCCOC2)c([N+](=O)[O-])cc1F ZINC000596529524 479330284 /nfs/dbraw/zinc/33/02/84/479330284.db2.gz BVNVBZPZNJMPJS-INIZCTEOSA-N 0 0 342.367 2.722 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nnc(C)s2)c1 ZINC000593418961 479331599 /nfs/dbraw/zinc/33/15/99/479331599.db2.gz PIYLOTNABDEVSY-UHFFFAOYSA-N 0 0 325.371 2.834 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000596535756 479332035 /nfs/dbraw/zinc/33/20/35/479332035.db2.gz HEWKFUISANAHTF-ZDUSSCGKSA-N 0 0 342.399 2.884 10 5 EFBERN CNC(=O)c1ccc(N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c([N+](=O)[O-])c1 ZINC000596540371 479333006 /nfs/dbraw/zinc/33/30/06/479333006.db2.gz RMBZXTRLRYDTDC-IAOVAPTHSA-N 0 0 341.342 2.844 10 5 EFBERN C[C@@H](NC(=O)N[C@H](C1CC1)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC000596540116 479333502 /nfs/dbraw/zinc/33/35/02/479333502.db2.gz JPNHFHQPRXEQDG-IAQYHMDHSA-N 0 0 335.404 2.752 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nc3c([nH]2)CCC3)c1 ZINC000593422233 479333795 /nfs/dbraw/zinc/33/37/95/479333795.db2.gz CZJBZNKIEFPBSS-UHFFFAOYSA-N 0 0 333.369 2.886 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)c2nccn2C)ccc1[N+](=O)[O-] ZINC000596542219 479334556 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COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000596566659 479342599 /nfs/dbraw/zinc/34/25/99/479342599.db2.gz IZHSOXIZBDMMKV-HDICACEKSA-N 0 0 346.383 2.778 10 5 EFBERN COc1cc(N2C[C@@H](C)O[C@](C)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000596572845 479344141 /nfs/dbraw/zinc/34/41/41/479344141.db2.gz HICRKFQZRHJTBK-CLAHSXSESA-N 0 0 334.294 2.991 10 5 EFBERN COC(=O)c1cc(N2CCO[C@@](C)(C(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000596571438 479344578 /nfs/dbraw/zinc/34/45/78/479344578.db2.gz DTHVENQJPYLZMH-OAHLLOKOSA-N 0 0 344.314 2.550 10 5 EFBERN Cc1c(CNC(=O)N[C@@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000596579216 479345641 /nfs/dbraw/zinc/34/56/41/479345641.db2.gz MFQVMPMCNTUJSD-CXAGYDPISA-N 0 0 343.383 2.825 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1COc2cc(F)ccc2C1 ZINC000599599388 479346947 /nfs/dbraw/zinc/34/69/47/479346947.db2.gz PTZLUWQSCKZLLN-CQSZACIVSA-N 0 0 344.342 2.644 10 5 EFBERN Cc1ccn([C@H](C)Cc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)n1 ZINC000596581547 479347687 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EFBERN O=[N+]([O-])c1cnc(N2CC[C@]3(CC3(F)F)C2)c(Br)c1 ZINC000593521201 479376177 /nfs/dbraw/zinc/37/61/77/479376177.db2.gz MPKMQWHYPQJXIN-JTQLQIEISA-N 0 0 334.120 2.988 10 5 EFBERN Cc1ccc(OCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587749404 479376167 /nfs/dbraw/zinc/37/61/67/479376167.db2.gz FRLNVDDAUSWNCB-UHFFFAOYSA-N 0 0 331.372 2.859 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)nc1 ZINC000593521322 479376246 /nfs/dbraw/zinc/37/62/46/479376246.db2.gz XQGSZKKZNLWHIG-JYJNAYRXSA-N 0 0 326.356 2.884 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)nc1 ZINC000593524820 479376783 /nfs/dbraw/zinc/37/67/83/479376783.db2.gz AWHHHLWMPAHKDU-NSHDSACASA-N 0 0 339.398 2.577 10 5 EFBERN COC(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000599662775 479377927 /nfs/dbraw/zinc/37/79/27/479377927.db2.gz XJLWZOAQEHGAOZ-ZACQAIPSSA-N 0 0 348.399 2.637 10 5 EFBERN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596665444 479378557 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EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C)[C@@H](F)C2)c1C ZINC000611496897 479395315 /nfs/dbraw/zinc/39/53/15/479395315.db2.gz CRJDCLZOJRZWNH-ZANVPECISA-N 0 0 330.381 2.580 10 5 EFBERN COC(=O)C1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000599699731 479397350 /nfs/dbraw/zinc/39/73/50/479397350.db2.gz YTNOABCPCVRNGN-RYUDHWBXSA-N 0 0 336.388 2.765 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC1(F)F ZINC000588144578 479398435 /nfs/dbraw/zinc/39/84/35/479398435.db2.gz OMKMFZSZXMSUTM-GFCCVEGCSA-N 0 0 334.344 2.623 10 5 EFBERN CCOc1cc(C(=O)N2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611505214 479398469 /nfs/dbraw/zinc/39/84/69/479398469.db2.gz ALNXINVOCGYYTR-CMPLNLGQSA-N 0 0 340.351 2.822 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611505603 479398886 /nfs/dbraw/zinc/39/88/86/479398886.db2.gz DHOLOOJVIKKNTA-IAQYHMDHSA-N 0 0 346.362 2.815 10 5 EFBERN CCOc1cc(C(=O)N2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611505217 479398902 /nfs/dbraw/zinc/39/89/02/479398902.db2.gz ALNXINVOCGYYTR-ZYHUDNBSSA-N 0 0 340.351 2.822 10 5 EFBERN CCOC(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)cc([N+](=O)[O-])c1 ZINC000611505928 479399185 /nfs/dbraw/zinc/39/91/85/479399185.db2.gz FXUGXUZRYQGYPK-YGRLFVJLSA-N 0 0 338.335 2.592 10 5 EFBERN C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1F ZINC000611506585 479399452 /nfs/dbraw/zinc/39/94/52/479399452.db2.gz OURNFFSAUOYLPT-TVQRCGJNSA-N 0 0 333.319 2.669 10 5 EFBERN CC(C)[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC12CCCC2 ZINC000593606268 479399703 /nfs/dbraw/zinc/39/97/03/479399703.db2.gz PATBUQJOXSLOKN-AWEZNQCLSA-N 0 0 339.417 2.579 10 5 EFBERN C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1F ZINC000611506719 479399920 /nfs/dbraw/zinc/39/99/20/479399920.db2.gz QJLVTMCICGJUAT-WCQYABFASA-N 0 0 332.335 2.601 10 5 EFBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc1 ZINC000611514539 479401533 /nfs/dbraw/zinc/40/15/33/479401533.db2.gz WPQNGVVFGGCMQO-UHFFFAOYSA-N 0 0 339.254 2.852 10 5 EFBERN CN([C@@H]1CCC[C@@H]1C(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593610274 479402409 /nfs/dbraw/zinc/40/24/09/479402409.db2.gz XDGMRRZGANTGLI-QWHCGFSZSA-N 0 0 341.433 2.825 10 5 EFBERN COc1cc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000611516254 479402957 /nfs/dbraw/zinc/40/29/57/479402957.db2.gz FQDKBVSYXFSENZ-TVQRCGJNSA-N 0 0 334.294 2.755 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC2(F)F)cc1OC ZINC000588180624 479403062 /nfs/dbraw/zinc/40/30/62/479403062.db2.gz GEXYJEJLXKIHSN-ZDUSSCGKSA-N 0 0 344.314 2.920 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C2CCC2)C2CCCC2)nc1 ZINC000593613386 479403331 /nfs/dbraw/zinc/40/33/31/479403331.db2.gz SWJRSIONRRYKER-OAHLLOKOSA-N 0 0 339.417 2.627 10 5 EFBERN Nc1cc(N2CCC[C@@H]2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000611525188 479404886 /nfs/dbraw/zinc/40/48/86/479404886.db2.gz JPXBHOYPFGDPPB-OAHLLOKOSA-N 0 0 327.384 2.881 10 5 EFBERN Nc1cc(NCCCc2nc3ccccc3[nH]2)cc(CO)c1[N+](=O)[O-] ZINC000611525513 479405642 /nfs/dbraw/zinc/40/56/42/479405642.db2.gz IJADINGDDBEQTA-UHFFFAOYSA-N 0 0 341.371 2.590 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000593627509 479408123 /nfs/dbraw/zinc/40/81/23/479408123.db2.gz FSQJUMHDAORUMR-CMPLNLGQSA-N 0 0 342.417 2.706 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2N2CCCCC2)n1 ZINC000611539576 479409378 /nfs/dbraw/zinc/40/93/78/479409378.db2.gz IDYBOTILONYRLF-UHFFFAOYSA-N 0 0 347.350 2.710 10 5 EFBERN Cc1nnc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC000588300734 479414424 /nfs/dbraw/zinc/41/44/24/479414424.db2.gz BHOHGDRQNKYKOP-UHFFFAOYSA-N 0 0 333.348 2.905 10 5 EFBERN CC(C)(NC(=O)NCCOCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000575174999 479414484 /nfs/dbraw/zinc/41/44/84/479414484.db2.gz WOFGVJRWWHTWMJ-UHFFFAOYSA-N 0 0 335.404 2.946 10 5 EFBERN CCc1cccc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000593657313 479414877 /nfs/dbraw/zinc/41/48/77/479414877.db2.gz QMIMJWKKOMFOGL-UHFFFAOYSA-N 0 0 348.424 2.819 10 5 EFBERN CCc1cccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000593657281 479414942 /nfs/dbraw/zinc/41/49/42/479414942.db2.gz QJSYPSVGQLFRLQ-UHFFFAOYSA-N 0 0 334.397 2.777 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc(Cl)o1 ZINC000603630531 479415363 /nfs/dbraw/zinc/41/53/63/479415363.db2.gz NRMISSCPUIHSHI-UHFFFAOYSA-N 0 0 330.749 2.628 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC12CCCC2 ZINC000593662791 479415427 /nfs/dbraw/zinc/41/54/27/479415427.db2.gz IYLVVWLIACNSJW-UHFFFAOYSA-N 0 0 331.372 2.695 10 5 EFBERN CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000603631573 479416363 /nfs/dbraw/zinc/41/63/63/479416363.db2.gz ONMMXWCLXCIXKJ-WCQYABFASA-N 0 0 342.417 2.851 10 5 EFBERN CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000603631572 479416426 /nfs/dbraw/zinc/41/64/26/479416426.db2.gz ONMMXWCLXCIXKJ-DGCLKSJQSA-N 0 0 342.417 2.851 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](OC(F)F)C1 ZINC000611578455 479423631 /nfs/dbraw/zinc/42/36/31/479423631.db2.gz FBEDIDFRQHHOKV-NSHDSACASA-N 0 0 343.330 2.545 10 5 EFBERN COC(=O)c1cc(N2CCC[C@@H](OC(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000611583989 479424827 /nfs/dbraw/zinc/42/48/27/479424827.db2.gz RBYRGHHXYLOIEP-LLVKDONJSA-N 0 0 344.314 2.898 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611585468 479425345 /nfs/dbraw/zinc/42/53/45/479425345.db2.gz FVOJXJXQZJLMLS-NSHDSACASA-N 0 0 343.330 2.627 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000603739957 479425468 /nfs/dbraw/zinc/42/54/68/479425468.db2.gz LTHZVLILNCZINO-ZDUSSCGKSA-N 0 0 338.367 2.927 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000611586877 479425668 /nfs/dbraw/zinc/42/56/68/479425668.db2.gz QXPMAPMWYJUXHZ-LLVKDONJSA-N 0 0 346.355 2.917 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCO[C@@H]1CC1(F)F ZINC000596787727 479427090 /nfs/dbraw/zinc/42/70/90/479427090.db2.gz KOTGCWOXRFAXEL-LLVKDONJSA-N 0 0 329.303 2.757 10 5 EFBERN CC1=CC[C@@](C)(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000596786620 479427371 /nfs/dbraw/zinc/42/73/71/479427371.db2.gz VQDJOQNTMBFRAN-GOSISDBHSA-N 0 0 344.415 2.775 10 5 EFBERN Cc1nc(C[C@@H]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)no1 ZINC000611616072 479429216 /nfs/dbraw/zinc/42/92/16/479429216.db2.gz NWHPCOKIHADFPJ-ZDUSSCGKSA-N 0 0 331.376 2.757 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000611615713 479429311 /nfs/dbraw/zinc/42/93/11/479429311.db2.gz PNIIFXYAQIZHPM-UHFFFAOYSA-N 0 0 334.420 2.691 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000593704426 479429413 /nfs/dbraw/zinc/42/94/13/479429413.db2.gz KOBVOZPUMVHOER-NHYWBVRUSA-N 0 0 328.372 2.676 10 5 EFBERN Cc1nc(CN2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cs1 ZINC000611615640 479429362 /nfs/dbraw/zinc/42/93/62/479429362.db2.gz QSCNEYPGRPUCKE-UHFFFAOYSA-N 0 0 347.444 2.694 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3cccs3)CC2)n1 ZINC000611615602 479429371 /nfs/dbraw/zinc/42/93/71/479429371.db2.gz JHAREALNLJDAEQ-UHFFFAOYSA-N 0 0 332.429 2.990 10 5 EFBERN Nc1c(NC(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800986 479429357 /nfs/dbraw/zinc/42/93/57/479429357.db2.gz NIDCGJZFMWBTMU-BXKDBHETSA-N 0 0 340.767 2.519 10 5 EFBERN CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599800571 479429438 /nfs/dbraw/zinc/42/94/38/479429438.db2.gz KVWKWDMNWFAVBQ-JKYUHCHBSA-N 0 0 340.767 2.519 10 5 EFBERN Cc1csc(N2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)n1 ZINC000611615986 479429827 /nfs/dbraw/zinc/42/98/27/479429827.db2.gz RNOQVVWPFOGCLB-UHFFFAOYSA-N 0 0 333.417 2.698 10 5 EFBERN C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618316 479430209 /nfs/dbraw/zinc/43/02/09/479430209.db2.gz QQDMRGKCRQEQLG-VHSXEESVSA-N 0 0 344.314 2.741 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(C(=O)C3CCCC3)C2)n1 ZINC000611617085 479430457 /nfs/dbraw/zinc/43/04/57/479430457.db2.gz BYUVFBJQEWEJTJ-CQSZACIVSA-N 0 0 332.404 2.810 10 5 EFBERN O=C(Nc1ccc[nH]c1=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611639983 479435222 /nfs/dbraw/zinc/43/52/22/479435222.db2.gz MPWPHPHRBMYPND-UHFFFAOYSA-N 0 0 325.227 2.549 10 5 EFBERN O=C(N[C@@H]1CCCC1(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000588757427 479438961 /nfs/dbraw/zinc/43/89/61/479438961.db2.gz WIWBSZTXODLICQ-CYBMUJFWSA-N 0 0 341.314 2.555 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000596818038 479439854 /nfs/dbraw/zinc/43/98/54/479439854.db2.gz YINMAXGREVGXRM-OAHLLOKOSA-N 0 0 339.355 2.566 10 5 EFBERN COc1cc(C(=O)N[C@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000588784700 479442152 /nfs/dbraw/zinc/44/21/52/479442152.db2.gz PYHRWYYPCUVQFN-LBPRGKRZSA-N 0 0 330.287 2.530 10 5 EFBERN CN(C[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829524 479442330 /nfs/dbraw/zinc/44/23/30/479442330.db2.gz FLZXGAFVLTVRCD-NSHDSACASA-N 0 0 330.344 2.643 10 5 EFBERN O=C(N[C@@H]1CCCC1(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000588784224 479442380 /nfs/dbraw/zinc/44/23/80/479442380.db2.gz CYAGHSYUVFZBCF-CYBMUJFWSA-N 0 0 336.298 2.698 10 5 EFBERN O=C(NCC1(O)CCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829745 479442381 /nfs/dbraw/zinc/44/23/81/479442381.db2.gz KPOJEORRHSKMNV-UHFFFAOYSA-N 0 0 330.344 2.570 10 5 EFBERN CC(C)C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829353 479442504 /nfs/dbraw/zinc/44/25/04/479442504.db2.gz FZYZEGKFDQRQSQ-NSHDSACASA-N 0 0 332.360 2.672 10 5 EFBERN Cc1cc(NC(=O)NCC2(CC(N)=O)CCCCC2)ccc1[N+](=O)[O-] ZINC000596823334 479442545 /nfs/dbraw/zinc/44/25/45/479442545.db2.gz LALJITFDARHZTD-UHFFFAOYSA-N 0 0 348.403 2.851 10 5 EFBERN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C[C@H](C)O ZINC000599829762 479442595 /nfs/dbraw/zinc/44/25/95/479442595.db2.gz LFFYPDFSYFDYFU-MNOVXSKESA-N 0 0 332.360 2.672 10 5 EFBERN C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829844 479442724 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C[C@H]1OCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H]1C ZINC000599833821 479444304 /nfs/dbraw/zinc/44/43/04/479444304.db2.gz YTQNCVXFIJEADW-GHMZBOCLSA-N 0 0 330.344 2.784 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC[C@H](O)CC1 ZINC000599832641 479444309 /nfs/dbraw/zinc/44/43/09/479444309.db2.gz GZQJUGHQOYWFMW-XYPYZODXSA-N 0 0 330.344 2.568 10 5 EFBERN CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833138 479444485 /nfs/dbraw/zinc/44/44/85/479444485.db2.gz QDQIKORLMHSMSJ-ZBEGNZNMSA-N 0 0 344.371 2.768 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCO[C@@H](C2CC2)C1 ZINC000599832837 479444993 /nfs/dbraw/zinc/44/49/93/479444993.db2.gz KVQZGSMLYUSZPJ-MRXNPFEDSA-N 0 0 342.355 2.786 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)NC1(CO)CCCCC1 ZINC000599832548 479445037 /nfs/dbraw/zinc/44/50/37/479445037.db2.gz GBGIOGFQMFTDQV-UHFFFAOYSA-N 0 0 344.371 2.960 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599834694 479446039 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10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000596837283 479447358 /nfs/dbraw/zinc/44/73/58/479447358.db2.gz CQZXNKTZOAFOIG-JQWIXIFHSA-N 0 0 330.348 2.631 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC12CCOCC2 ZINC000599838589 479447523 /nfs/dbraw/zinc/44/75/23/479447523.db2.gz LAMNPURLCNIYNY-HNNXBMFYSA-N 0 0 342.355 2.834 10 5 EFBERN O=[N+]([O-])c1ncccc1N1CCN(c2nccc3sccc32)CC1 ZINC000588855472 479448602 /nfs/dbraw/zinc/44/86/02/479448602.db2.gz HXKQBXWCOUOWCZ-UHFFFAOYSA-N 0 0 341.396 2.926 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@@H](O)CC1 ZINC000599839820 479448922 /nfs/dbraw/zinc/44/89/22/479448922.db2.gz PYRHCUPZBSAGKS-LLVKDONJSA-N 0 0 330.344 2.522 10 5 EFBERN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC000593757363 479449985 /nfs/dbraw/zinc/44/99/85/479449985.db2.gz RQUZSODQFYZKEJ-AWEZNQCLSA-N 0 0 335.314 2.626 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCC[C@@H](CO)C1 ZINC000599841326 479450573 /nfs/dbraw/zinc/45/05/73/479450573.db2.gz XRQYZMZNHGUKSW-VXGBXAGGSA-N 0 0 344.371 2.816 10 5 EFBERN Cc1n[nH]c(C(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000593760449 479451303 /nfs/dbraw/zinc/45/13/03/479451303.db2.gz DJZGEHJNSTVVSC-MRXNPFEDSA-N 0 0 332.335 2.569 10 5 EFBERN O=C(COCC(F)F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000599843921 479451521 /nfs/dbraw/zinc/45/15/21/479451521.db2.gz RGUXPOSOZPLSNG-UHFFFAOYSA-N 0 0 342.220 2.512 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(C2(O)CC2)CC1 ZINC000593766536 479452753 /nfs/dbraw/zinc/45/27/53/479452753.db2.gz AZSQGOZZQNXWFR-UHFFFAOYSA-N 0 0 330.340 2.718 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)c2)CN1 ZINC000611711724 479453926 /nfs/dbraw/zinc/45/39/26/479453926.db2.gz OPPNDLDYWVHMHY-LBPRGKRZSA-N 0 0 349.350 2.885 10 5 EFBERN C[C@@H](C(=O)N1CCC(C2(O)CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000593769331 479453941 /nfs/dbraw/zinc/45/39/41/479453941.db2.gz HPNFURGLUIHPKW-LLVKDONJSA-N 0 0 336.363 2.601 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NCCc3cc(F)ccc3F)c2c1 ZINC000611709890 479454346 /nfs/dbraw/zinc/45/43/46/479454346.db2.gz XAPRKEYISUTKFH-UHFFFAOYSA-N 0 0 330.294 2.893 10 5 EFBERN Cc1c(C(=O)NC[C@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000593772026 479454721 /nfs/dbraw/zinc/45/47/21/479454721.db2.gz IQSCNRLWTINIDS-IBGZPJMESA-N 0 0 340.379 2.510 10 5 EFBERN COc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnc1OC ZINC000599851434 479455006 /nfs/dbraw/zinc/45/50/06/479455006.db2.gz NGEJMCSVFMASIF-UHFFFAOYSA-N 0 0 346.343 2.671 10 5 EFBERN Cc1cnc(CCN(C)c2ncnc3ccc([N+](=O)[O-])cc32)s1 ZINC000611712946 479455239 /nfs/dbraw/zinc/45/52/39/479455239.db2.gz TUSDSUROSUIRFH-UHFFFAOYSA-N 0 0 329.385 2.982 10 5 EFBERN CN(Cc1ccc(F)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603940995 479455789 /nfs/dbraw/zinc/45/57/89/479455789.db2.gz FZMZSPAMKKGCDL-UHFFFAOYSA-N 0 0 332.287 2.735 10 5 EFBERN Cc1c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)ccn1C ZINC000588920545 479458258 /nfs/dbraw/zinc/45/82/58/479458258.db2.gz IYVFXZPPOSHCOV-UHFFFAOYSA-N 0 0 325.328 2.680 10 5 EFBERN Nc1c(C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cccc1[N+](=O)[O-] ZINC000593788265 479460757 /nfs/dbraw/zinc/46/07/57/479460757.db2.gz ZVYJEEQUWRZHLO-UHFFFAOYSA-N 0 0 347.268 2.684 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000596867043 479463051 /nfs/dbraw/zinc/46/30/51/479463051.db2.gz OPINOKSHJHPXQJ-ZYHUDNBSSA-N 0 0 330.348 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCc2nccnc2C1 ZINC000596868455 479463513 /nfs/dbraw/zinc/46/35/13/479463513.db2.gz YQGJSWQYACQKRU-UHFFFAOYSA-N 0 0 327.344 2.592 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCc2ccccc2C1 ZINC000604019988 479464424 /nfs/dbraw/zinc/46/44/24/479464424.db2.gz XMTFLKRTYWOROB-HNNXBMFYSA-N 0 0 346.408 2.739 10 5 EFBERN CC(C)(C)OC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000593802548 479466513 /nfs/dbraw/zinc/46/65/13/479466513.db2.gz NLBXPNUEOCBAHR-UHFFFAOYSA-N 0 0 334.372 2.979 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(CC(F)F)CC2)c1 ZINC000611748029 479466494 /nfs/dbraw/zinc/46/64/94/479466494.db2.gz OZBFJAVLHUELPL-UHFFFAOYSA-N 0 0 343.330 2.523 10 5 EFBERN COc1ccc(CNC(=O)[C@@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC000596877540 479467278 /nfs/dbraw/zinc/46/72/78/479467278.db2.gz RMTHTZFOJGNUHI-INIZCTEOSA-N 0 0 336.388 2.815 10 5 EFBERN COC(=O)c1nn(CCOc2ccccc2[N+](=O)[O-])c2c1CCCC2 ZINC000611755288 479467633 /nfs/dbraw/zinc/46/76/33/479467633.db2.gz IEQMPVRCSHPBCZ-UHFFFAOYSA-N 0 0 345.355 2.536 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000611754974 479467933 /nfs/dbraw/zinc/46/79/33/479467933.db2.gz ARXMYTLSWAXRLW-QPUJVOFHSA-N 0 0 348.277 2.537 10 5 EFBERN Cc1cccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)c1[N+](=O)[O-] ZINC000589022212 479469798 /nfs/dbraw/zinc/46/97/98/479469798.db2.gz ZLBZUDCSFOOTHH-MWLCHTKSSA-N 0 0 332.278 2.695 10 5 EFBERN CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593814602 479470559 /nfs/dbraw/zinc/47/05/59/479470559.db2.gz JRCFJSDSIKBMCQ-OAHLLOKOSA-N 0 0 334.372 2.585 10 5 EFBERN CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593814600 479470581 /nfs/dbraw/zinc/47/05/81/479470581.db2.gz JRCFJSDSIKBMCQ-HNNXBMFYSA-N 0 0 334.372 2.585 10 5 EFBERN CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593815269 479471004 /nfs/dbraw/zinc/47/10/04/479471004.db2.gz HLIVPOJRVMLTTO-UHFFFAOYSA-N 0 0 334.372 2.789 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](OC(F)F)C2)c1 ZINC000611764969 479471076 /nfs/dbraw/zinc/47/10/76/479471076.db2.gz YFEPCUOXMKEGTR-JTQLQIEISA-N 0 0 330.287 2.589 10 5 EFBERN CC(C)(C)OC(=O)CN(CC1CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000593816656 479471782 /nfs/dbraw/zinc/47/17/82/479471782.db2.gz OFBRSYIRDBHEJP-UHFFFAOYSA-N 0 0 348.399 2.718 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ocnc1C(F)F ZINC000599929289 479473905 /nfs/dbraw/zinc/47/39/05/479473905.db2.gz NWWNJBSKTAKUEY-UHFFFAOYSA-N 0 0 325.271 2.835 10 5 EFBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3cccnc3[N+](=O)[O-])C2)n1 ZINC000604123670 479475722 /nfs/dbraw/zinc/47/57/22/479475722.db2.gz KHSZAGFMIYKEFS-CYBMUJFWSA-N 0 0 341.371 2.548 10 5 EFBERN Cn1cc([C@@H]2CCCCN2c2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000589101212 479476756 /nfs/dbraw/zinc/47/67/56/479476756.db2.gz CXIILLHVBDNURA-NSHDSACASA-N 0 0 332.389 2.769 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn(C2CC2)c1 ZINC000599945476 479478083 /nfs/dbraw/zinc/47/80/83/479478083.db2.gz GEJVMVFNNUMQHN-UHFFFAOYSA-N 0 0 339.355 2.580 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000589104555 479478217 /nfs/dbraw/zinc/47/82/17/479478217.db2.gz RAJAHTXVFFBYMS-BETUJISGSA-N 0 0 337.420 2.903 10 5 EFBERN CCc1[nH]nc(C(=O)N2CCOc3c(C)cc(C)cc32)c1[N+](=O)[O-] ZINC000593836076 479480006 /nfs/dbraw/zinc/48/00/06/479480006.db2.gz XRPBAZUEQGLOSC-UHFFFAOYSA-N 0 0 330.344 2.536 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCO[C@H]1CC1(F)F ZINC000596912336 479483471 /nfs/dbraw/zinc/48/34/71/479483471.db2.gz FJQAVOUKRAJKCM-LBPRGKRZSA-N 0 0 329.303 2.703 10 5 EFBERN C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593848552 479483798 /nfs/dbraw/zinc/48/37/98/479483798.db2.gz KMTNUPLGFRZAIK-ZDUSSCGKSA-N 0 0 346.383 2.728 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(O)(C1CC1)C1CC1 ZINC000596912357 479483866 /nfs/dbraw/zinc/48/38/66/479483866.db2.gz FTKVDCLIZLJSBZ-UHFFFAOYSA-N 0 0 333.388 2.830 10 5 EFBERN Cc1c(CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])oc2c1cccc2C ZINC000593850784 479485038 /nfs/dbraw/zinc/48/50/38/479485038.db2.gz VHHJQDHOIZYTAO-UHFFFAOYSA-N 0 0 328.328 2.953 10 5 EFBERN Cn1cc([C@H](NCc2c(F)cccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000618557502 479491535 /nfs/dbraw/zinc/49/15/35/479491535.db2.gz PADGUTXMZRQHLO-LBPRGKRZSA-N 0 0 332.257 2.861 10 5 EFBERN CC(C)(NC(=O)NC[C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000596930698 479492267 /nfs/dbraw/zinc/49/22/67/479492267.db2.gz LWPDZWVSDKMGOY-CYBMUJFWSA-N 0 0 335.404 2.944 10 5 EFBERN CNc1ccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000611817746 479492292 /nfs/dbraw/zinc/49/22/92/479492292.db2.gz YZOFOZCXVXRGKV-CQSZACIVSA-N 0 0 340.383 2.736 10 5 EFBERN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000596931418 479492322 /nfs/dbraw/zinc/49/23/22/479492322.db2.gz MFVUGIVXIHXIML-NSHDSACASA-N 0 0 331.376 2.624 10 5 EFBERN COc1ccc([C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)cc1 ZINC000614723928 479492726 /nfs/dbraw/zinc/49/27/26/479492726.db2.gz OLSFWKBTHDMMIX-ZDUSSCGKSA-N 0 0 343.383 2.672 10 5 EFBERN COc1ccc(NC(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000611825153 479494472 /nfs/dbraw/zinc/49/44/72/479494472.db2.gz OUIQKFONQQTJSX-NSHDSACASA-N 0 0 330.344 2.924 10 5 EFBERN Cc1n[nH]c(C(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000593886224 479496600 /nfs/dbraw/zinc/49/66/00/479496600.db2.gz GCQRSAMMIZZWJU-VIFPVBQESA-N 0 0 332.335 2.567 10 5 EFBERN O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000593884083 479497045 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331.372 2.738 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC(F)(F)C[C@@H]2CO)nc1-c1ccccc1 ZINC000614827675 479522543 /nfs/dbraw/zinc/52/25/43/479522543.db2.gz QNZHFILMADVFMQ-GFCCVEGCSA-N 0 0 335.310 2.863 10 5 EFBERN CCN(CCC(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000604524694 479534105 /nfs/dbraw/zinc/53/41/05/479534105.db2.gz WIZCICVCVNUZHJ-UHFFFAOYSA-N 0 0 332.325 2.619 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000589514745 479536502 /nfs/dbraw/zinc/53/65/02/479536502.db2.gz KFRFFYULSDXLRL-INIZCTEOSA-N 0 0 348.399 2.772 10 5 EFBERN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589518776 479537131 /nfs/dbraw/zinc/53/71/31/479537131.db2.gz DVYMSHLRAODWAP-MRXNPFEDSA-N 0 0 339.395 2.937 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(F)(F)[C@@H](C)C2)c1 ZINC000589520581 479537668 /nfs/dbraw/zinc/53/76/68/479537668.db2.gz XTBFWORLVYSVHJ-JTQLQIEISA-N 0 0 328.315 2.859 10 5 EFBERN CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000600139837 479539716 /nfs/dbraw/zinc/53/97/16/479539716.db2.gz QLOTYTIBWRYEFX-KRWDZBQOSA-N 0 0 349.387 2.513 10 5 EFBERN CCOc1ccc([C@H](C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000589558543 479539691 /nfs/dbraw/zinc/53/96/91/479539691.db2.gz ZIYCCVBVFXLCLL-JTQLQIEISA-N 0 0 330.344 2.661 10 5 EFBERN CCN(Cc1ccc(OC)cc1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589583159 479541357 /nfs/dbraw/zinc/54/13/57/479541357.db2.gz KMFYHJXXLICZKQ-UHFFFAOYSA-N 0 0 331.372 2.704 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H](C(F)F)C1 ZINC000589600169 479544137 /nfs/dbraw/zinc/54/41/37/479544137.db2.gz SGNBOJNBYZMPQA-CYBMUJFWSA-N 0 0 341.358 2.518 10 5 EFBERN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000600149310 479545752 /nfs/dbraw/zinc/54/57/52/479545752.db2.gz WODXJSOKYMJRKJ-OAHLLOKOSA-N 0 0 340.401 2.993 10 5 EFBERN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000600149290 479546131 /nfs/dbraw/zinc/54/61/31/479546131.db2.gz XEBPSANGQBLDFP-GOSISDBHSA-N 0 0 348.399 2.860 10 5 EFBERN COC(=O)c1cc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000600161685 479554309 /nfs/dbraw/zinc/55/43/09/479554309.db2.gz LLXJWHYPPMYWGU-UTUOFQBUSA-N 0 0 332.356 2.547 10 5 EFBERN CC(C)(C(=O)NCC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000600166330 479555653 /nfs/dbraw/zinc/55/56/53/479555653.db2.gz ZOLWRLPJNONQIE-LBPRGKRZSA-N 0 0 338.379 2.944 10 5 EFBERN CCc1n[nH]c(C(=O)NCC2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000600167328 479557006 /nfs/dbraw/zinc/55/70/06/479557006.db2.gz NLZVGOXDIJRKRF-UHFFFAOYSA-N 0 0 342.399 2.805 10 5 EFBERN Cc1n[nH]c(C(=O)NCC2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000600167324 479557469 /nfs/dbraw/zinc/55/74/69/479557469.db2.gz NHXMNVLGPNQOKQ-UHFFFAOYSA-N 0 0 328.372 2.551 10 5 EFBERN COc1cc(OCC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000600169636 479558105 /nfs/dbraw/zinc/55/81/05/479558105.db2.gz OEYCDVWECZTSFV-UPJWGTAASA-N 0 0 334.372 2.535 10 5 EFBERN Cn1cc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602796102 479560004 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CC[C@]1(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCOC1 ZINC000597096425 479571932 /nfs/dbraw/zinc/57/19/32/479571932.db2.gz JVZIVOPWOVWJTG-ZDUSSCGKSA-N 0 0 328.756 2.521 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCOc2ccccc2C1 ZINC000589833653 479572099 /nfs/dbraw/zinc/57/20/99/479572099.db2.gz KQRHXJWPVSBMEN-UHFFFAOYSA-N 0 0 348.305 2.837 10 5 EFBERN Nc1c(NC(=O)N2CCOC3(CCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597099810 479572134 /nfs/dbraw/zinc/57/21/34/479572134.db2.gz DRKAFXMHIPNIFF-UHFFFAOYSA-N 0 0 340.767 2.617 10 5 EFBERN C[C@H](C[C@H]1CCOC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099918 479572536 /nfs/dbraw/zinc/57/25/36/479572536.db2.gz HGIUFNQKMIKTPN-RKDXNWHRSA-N 0 0 342.783 2.767 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCO1 ZINC000597102890 479573557 /nfs/dbraw/zinc/57/35/57/479573557.db2.gz ZQIMTEUNYWKNRI-APPZFPTMSA-N 0 0 328.756 2.519 10 5 EFBERN C[C@H](O)C[C@H]1CCCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597102789 479573756 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CCNc1ccc(C(=O)Nc2cncc(OC(C)C)n2)cc1[N+](=O)[O-] ZINC000594067946 479576638 /nfs/dbraw/zinc/57/66/38/479576638.db2.gz WWJUJBNYQUMTKM-UHFFFAOYSA-N 0 0 345.359 2.856 10 5 EFBERN COc1cccc(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594071022 479578158 /nfs/dbraw/zinc/57/81/58/479578158.db2.gz VXILCEYTJWCOGU-UKRRQHHQSA-N 0 0 334.372 2.681 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594071065 479578203 /nfs/dbraw/zinc/57/82/03/479578203.db2.gz WJQAMEPFSHNXAJ-RDJZCZTQSA-N 0 0 336.363 2.740 10 5 EFBERN Cc1sc(C(=O)N[C@@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594070985 479578672 /nfs/dbraw/zinc/57/86/72/479578672.db2.gz HDHCSVJKWBAEHM-GFCCVEGCSA-N 0 0 345.380 2.648 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594073502 479579619 /nfs/dbraw/zinc/57/96/19/479579619.db2.gz UDKRQSRRGTVAIA-SJLPKXTDSA-N 0 0 347.415 2.861 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594071705 479579651 /nfs/dbraw/zinc/57/96/51/479579651.db2.gz LQKSCQMRESAWAQ-JKSUJKDBSA-N 0 0 334.372 2.681 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594073503 479580723 /nfs/dbraw/zinc/58/07/23/479580723.db2.gz UDKRQSRRGTVAIA-WMZOPIPTSA-N 0 0 347.415 2.861 10 5 EFBERN CC1(C)Cc2ccccc2N(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000589924098 479582637 /nfs/dbraw/zinc/58/26/37/479582637.db2.gz KAUORTMPNWZFHP-UHFFFAOYSA-N 0 0 347.396 2.767 10 5 EFBERN Cn1c(C(=O)Nc2cncc(C(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000594102035 479588430 /nfs/dbraw/zinc/58/84/30/479588430.db2.gz ILRWGCLKEDOKRR-UHFFFAOYSA-N 0 0 346.343 2.536 10 5 EFBERN COc1c(C)cccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000594109772 479591474 /nfs/dbraw/zinc/59/14/74/479591474.db2.gz JMASXFVDVOODNW-UHFFFAOYSA-N 0 0 344.367 2.997 10 5 EFBERN COC[C@H](CC(C)(C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594135830 479603840 /nfs/dbraw/zinc/60/38/40/479603840.db2.gz HBZCIBQAPSAEQR-JTQLQIEISA-N 0 0 338.360 2.505 10 5 EFBERN COC[C@@H](CC(C)(C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000594136008 479604458 /nfs/dbraw/zinc/60/44/58/479604458.db2.gz IIOXBLILPRWNKL-SNVBAGLBSA-N 0 0 344.358 2.983 10 5 EFBERN COC(=O)[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000597193556 479614419 /nfs/dbraw/zinc/61/44/19/479614419.db2.gz VMBVCFSUHCNMDJ-KRWDZBQOSA-N 0 0 344.367 2.916 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594159826 479614489 /nfs/dbraw/zinc/61/44/89/479614489.db2.gz CBMDGPAKILVNHA-DGCLKSJQSA-N 0 0 346.305 2.754 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@H](O)CC(F)(F)C2)c1 ZINC000590176909 479614780 /nfs/dbraw/zinc/61/47/80/479614780.db2.gz KKCNISZPKQPBET-SNVBAGLBSA-N 0 0 340.248 2.816 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000594173514 479619617 /nfs/dbraw/zinc/61/96/17/479619617.db2.gz HOANECBEGNPNGP-SNVBAGLBSA-N 0 0 344.362 2.820 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC([C@H]2CCOC2)C1 ZINC000590356683 479635179 /nfs/dbraw/zinc/63/51/79/479635179.db2.gz HQVIRQMGSQPLPG-VIFPVBQESA-N 0 0 344.289 2.722 10 5 EFBERN CC(C)(C(=O)N1CC(C2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000590363350 479635994 /nfs/dbraw/zinc/63/59/94/479635994.db2.gz BQNROXVNGPJOML-UHFFFAOYSA-N 0 0 332.400 2.757 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000590402067 479640521 /nfs/dbraw/zinc/64/05/21/479640521.db2.gz SCZKXOAHPSBZDG-LBPRGKRZSA-N 0 0 343.387 2.856 10 5 EFBERN C[C@@H](O)[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000597249693 479644558 /nfs/dbraw/zinc/64/45/58/479644558.db2.gz YDSWCFIFNOBFDT-KZULUSFZSA-N 0 0 344.367 2.578 10 5 EFBERN CC[C@H](NC(=O)[C@H]1CCc2cncn2C1)c1cccc([N+](=O)[O-])c1 ZINC000590443977 479648063 /nfs/dbraw/zinc/64/80/63/479648063.db2.gz WKMCIMDAABDBRB-BBRMVZONSA-N 0 0 328.372 2.621 10 5 EFBERN O=C([C@@H]1CCCC2(CC2)C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597267203 479651495 /nfs/dbraw/zinc/65/14/95/479651495.db2.gz YOBAMEXRQOIMRT-ZIAGYGMSSA-N 0 0 344.415 2.973 10 5 EFBERN C[C@H]1COC2(CCC2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000597278178 479653905 /nfs/dbraw/zinc/65/39/05/479653905.db2.gz MEEYCXNFBAUQEH-LBPRGKRZSA-N 0 0 343.387 2.538 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc(F)c(Cl)cc1F ZINC000618972361 479655426 /nfs/dbraw/zinc/65/54/26/479655426.db2.gz IOTQLWSNHASGLO-UHFFFAOYSA-N 0 0 329.690 2.795 10 5 EFBERN CC(C)(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)n1cccn1 ZINC000597281968 479655483 /nfs/dbraw/zinc/65/54/83/479655483.db2.gz LKVQWYZFQSDXIT-UHFFFAOYSA-N 0 0 330.388 2.666 10 5 EFBERN Cc1ccc(NCCCNC(=O)[C@]23C[C@H]2COC3(C)C)c([N+](=O)[O-])c1 ZINC000597281085 479655691 /nfs/dbraw/zinc/65/56/91/479655691.db2.gz CEOIYMUZAOHOAF-UGSOOPFHSA-N 0 0 347.415 2.637 10 5 EFBERN C[C@H](O)[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000579085597 479657924 /nfs/dbraw/zinc/65/79/24/479657924.db2.gz UWCWKZQHKZRVPT-UGSOOPFHSA-N 0 0 336.391 2.610 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000590571526 479661451 /nfs/dbraw/zinc/66/14/51/479661451.db2.gz QETOGDAGKAGPEH-UHFFFAOYSA-N 0 0 341.795 2.565 10 5 EFBERN CCN(CC)c1ccc(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])cn1 ZINC000590572509 479662241 /nfs/dbraw/zinc/66/22/41/479662241.db2.gz NNYXFXBGRKLDGA-UHFFFAOYSA-N 0 0 345.359 2.761 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)[C@@H](CO)SC)ccc1[N+](=O)[O-] ZINC000590585895 479663576 /nfs/dbraw/zinc/66/35/76/479663576.db2.gz SUDZLWBRJHXNJM-OIBJUYFYSA-N 0 0 348.808 2.559 10 5 EFBERN CC(C)Oc1nc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000579128397 479665830 /nfs/dbraw/zinc/66/58/30/479665830.db2.gz QIKYJSFCUFZUPG-JOYOIKCWSA-N 0 0 349.309 2.527 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]3C(F)(F)F)o2)cc1 ZINC000590601353 479666707 /nfs/dbraw/zinc/66/67/07/479666707.db2.gz SVBDHPQLHBONJC-SNVBAGLBSA-N 0 0 328.250 2.781 10 5 EFBERN CC1(C)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@]2(CCOC2)O1 ZINC000579231058 479677261 /nfs/dbraw/zinc/67/72/61/479677261.db2.gz NJIYZBGVOPTHSZ-SFHVURJKSA-N 0 0 347.415 2.643 10 5 EFBERN C[C@H]1CC[N@H+](CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000579244537 479678097 /nfs/dbraw/zinc/67/80/97/479678097.db2.gz ORVYRRPCCGGTDN-BLLLJJGKSA-N 0 0 335.429 2.511 10 5 EFBERN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000619076659 479682247 /nfs/dbraw/zinc/68/22/47/479682247.db2.gz YADRMVBLVXUSCT-QZTJIDSGSA-N 0 0 348.402 2.715 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000619076660 479682610 /nfs/dbraw/zinc/68/26/10/479682610.db2.gz YADRMVBLVXUSCT-ROUUACIJSA-N 0 0 348.402 2.715 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1CO ZINC000579308460 479682900 /nfs/dbraw/zinc/68/29/00/479682900.db2.gz UUVFAXGUMTTZEY-NSHDSACASA-N 0 0 330.340 2.838 10 5 EFBERN C[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612538924 479688510 /nfs/dbraw/zinc/68/85/10/479688510.db2.gz BEPACDPAIGHSQL-JSGCOSHPSA-N 0 0 346.362 2.898 10 5 EFBERN O=C(N[C@@H]1CCCOCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612561936 479693144 /nfs/dbraw/zinc/69/31/44/479693144.db2.gz NZODKRNWKJFZIA-SECBINFHSA-N 0 0 332.278 2.913 10 5 EFBERN O=C(NCc1ccc(Cl)o1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612572331 479696879 /nfs/dbraw/zinc/69/68/79/479696879.db2.gz BXBIJANXPVTVPR-UHFFFAOYSA-N 0 0 338.703 2.542 10 5 EFBERN Cc1ccnc(NC(=O)CN(C)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000612578222 479699038 /nfs/dbraw/zinc/69/90/38/479699038.db2.gz MHOPGWXEPRCQTD-UHFFFAOYSA-N 0 0 328.372 2.677 10 5 EFBERN C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000619154641 479701094 /nfs/dbraw/zinc/70/10/94/479701094.db2.gz BCYDROGXLLSOMP-HIFRSBDPSA-N 0 0 337.395 2.611 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c(O)cccc2F)c1 ZINC000612600238 479705985 /nfs/dbraw/zinc/70/59/85/479705985.db2.gz SZHGECPEPSEUCK-UHFFFAOYSA-N 0 0 340.332 2.857 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](OC(F)F)C1 ZINC000612616794 479712241 /nfs/dbraw/zinc/71/22/41/479712241.db2.gz XXUXVTWKXXADDS-VIFPVBQESA-N 0 0 333.266 2.969 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)c1 ZINC000612634146 479717097 /nfs/dbraw/zinc/71/70/97/479717097.db2.gz NJFJFNBYMLENEN-ZYHUDNBSSA-N 0 0 330.381 2.580 10 5 EFBERN Cc1ccc(NC(=O)c2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000615670996 479732021 /nfs/dbraw/zinc/73/20/21/479732021.db2.gz IFVOCUDGMAWVIQ-UHFFFAOYSA-N 0 0 328.250 2.914 10 5 EFBERN O=C(c1ccc(O)cc1)C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000615705471 479740590 /nfs/dbraw/zinc/74/05/90/479740590.db2.gz WLSCUCZAQPNQPV-UHFFFAOYSA-N 0 0 327.340 2.795 10 5 EFBERN CCc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)no1 ZINC000606892879 479750776 /nfs/dbraw/zinc/75/07/76/479750776.db2.gz YDEFXVBYJDVXTH-UHFFFAOYSA-N 0 0 347.374 2.766 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccnn2C)C(C)C)c1 ZINC000615944147 479788841 /nfs/dbraw/zinc/78/88/41/479788841.db2.gz QBJCNYVGNSVYDU-ZDUSSCGKSA-N 0 0 346.387 2.967 10 5 EFBERN CCn1nc(C)cc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000612929964 479804470 /nfs/dbraw/zinc/80/44/70/479804470.db2.gz WNMCQBVAWHESFZ-UHFFFAOYSA-N 0 0 342.359 2.824 10 5 EFBERN CCOC(=O)CCC1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000619486477 479808901 /nfs/dbraw/zinc/80/89/01/479808901.db2.gz WAUAQWCCOJIMKS-UHFFFAOYSA-N 0 0 338.408 2.679 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000619491994 479810582 /nfs/dbraw/zinc/81/05/82/479810582.db2.gz JZGDAKNGUHSZLF-ZDUSSCGKSA-N 0 0 344.419 2.646 10 5 EFBERN Cc1cc(N2CCO[C@@H](C(=O)C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000619490864 479810806 /nfs/dbraw/zinc/81/08/06/479810806.db2.gz NUDFYVJNOUEQIG-MRXNPFEDSA-N 0 0 341.367 2.636 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC2(CC2)CC1 ZINC000619499798 479812674 /nfs/dbraw/zinc/81/26/74/479812674.db2.gz WJNWJKDGPJUPDQ-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000619499156 479812919 /nfs/dbraw/zinc/81/29/19/479812919.db2.gz CKQFSMFTYKJVAK-UTUOFQBUSA-N 0 0 342.417 2.659 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000619499155 479812975 /nfs/dbraw/zinc/81/29/75/479812975.db2.gz CKQFSMFTYKJVAK-IJLUTSLNSA-N 0 0 342.417 2.659 10 5 EFBERN Cc1ccncc1N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000619589535 479836124 /nfs/dbraw/zinc/83/61/24/479836124.db2.gz UWWZCQZKBBKSPC-UHFFFAOYSA-N 0 0 333.779 2.673 10 5 EFBERN CC1(C)CCC[C@H]1N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619668761 479853390 /nfs/dbraw/zinc/85/33/90/479853390.db2.gz LQVQGXVYHDYAGH-CXAGYDPISA-N 0 0 331.372 2.941 10 5 EFBERN COC(=O)c1ccc(OC)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000609446425 480162108 /nfs/dbraw/zinc/16/21/08/480162108.db2.gz HKSBSHTZBFEJKI-UHFFFAOYSA-N 0 0 344.323 2.951 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)o1 ZINC000609470685 480164575 /nfs/dbraw/zinc/16/45/75/480164575.db2.gz XORQCWVWFCXQMO-UHFFFAOYSA-N 0 0 339.735 2.719 10 5 EFBERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609510935 480167403 /nfs/dbraw/zinc/16/74/03/480167403.db2.gz UAKILKHLLRDDRW-BTDLBPIBSA-N 0 0 340.335 2.987 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000617338828 480171355 /nfs/dbraw/zinc/17/13/55/480171355.db2.gz PUWGTOQMWMAXKO-MRXNPFEDSA-N 0 0 328.368 2.936 10 5 EFBERN CCCN(Cc1ccc(OC)cc1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000617367182 480188912 /nfs/dbraw/zinc/18/89/12/480188912.db2.gz GLVPYKGMSIPUTR-UHFFFAOYSA-N 0 0 346.387 2.872 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccccc2c(=O)[nH]1 ZINC000617374274 480193794 /nfs/dbraw/zinc/19/37/94/480193794.db2.gz STLLQDFHMZKCID-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000617384353 480196319 /nfs/dbraw/zinc/19/63/19/480196319.db2.gz GRJLVUPPQGGGJG-RKDXNWHRSA-N 0 0 334.298 2.614 10 5 EFBERN CNc1ccc(C(=O)Nc2ccccc2N(C)C(C)=O)cc1[N+](=O)[O-] ZINC000609822282 480208564 /nfs/dbraw/zinc/20/85/64/480208564.db2.gz IGMMSANNBWZVKF-UHFFFAOYSA-N 0 0 342.355 2.872 10 5 EFBERN Cc1nn(C)c(C(=O)N[C@@H](CC2CC2)c2ccccc2)c1[N+](=O)[O-] ZINC000610236065 480255691 /nfs/dbraw/zinc/25/56/91/480255691.db2.gz ICWKGUFVMBGHLY-AWEZNQCLSA-N 0 0 328.372 2.908 10 5 EFBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000610411159 480300596 /nfs/dbraw/zinc/30/05/96/480300596.db2.gz ZBTCZZIWYVKGAD-MUWHJKNJSA-N 0 0 325.674 2.799 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000614517864 480329492 /nfs/dbraw/zinc/32/94/92/480329492.db2.gz CZNSKXNLKCPOLN-XHSDSOJGSA-N 0 0 348.447 2.685 10 5 EFBERN CC[C@@H](NC(=O)c1cn2cccnc2n1)c1cccc([N+](=O)[O-])c1 ZINC000610525919 480329630 /nfs/dbraw/zinc/32/96/30/480329630.db2.gz IREWBUNKABGATQ-CYBMUJFWSA-N 0 0 325.328 2.519 10 5 EFBERN COc1cc(C(=O)NC[C@H](C)c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000610526743 480330784 /nfs/dbraw/zinc/33/07/84/480330784.db2.gz UMJZNKMPKCMDKW-NSHDSACASA-N 0 0 345.355 2.541 10 5 EFBERN C[C@H](C(=O)N1CCOc2ncccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000617763567 480356512 /nfs/dbraw/zinc/35/65/12/480356512.db2.gz CRJAWUWZQPUOLW-LBPRGKRZSA-N 0 0 327.340 2.515 10 5 EFBERN CCOC(=O)c1cc(N2CCC[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000610715371 480371583 /nfs/dbraw/zinc/37/15/83/480371583.db2.gz BDNPHMYSSRXANW-AWEZNQCLSA-N 0 0 344.371 2.810 10 5 EFBERN CNc1ccc(C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000610719652 480374085 /nfs/dbraw/zinc/37/40/85/480374085.db2.gz ISQKCRDYTZDNAB-OAHLLOKOSA-N 0 0 335.404 2.962 10 5 EFBERN CC(C)(CNC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000610720097 480374387 /nfs/dbraw/zinc/37/43/87/480374387.db2.gz MNHTYOZIIAPFQR-HNNXBMFYSA-N 0 0 335.404 2.989 10 5 EFBERN CCOc1ccc([C@H](C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000618343513 480626328 /nfs/dbraw/zinc/62/63/28/480626328.db2.gz DGYCGAIWTLTGQN-JTQLQIEISA-N 0 0 331.328 2.585 10 5 EFBERN COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000130364866 533733452 /nfs/dbraw/zinc/73/34/52/533733452.db2.gz NZDQDSXSFBRQNB-KRWDZBQOSA-N 0 0 342.351 2.817 10 5 EFBERN COc1cc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000184229523 533792362 /nfs/dbraw/zinc/79/23/62/533792362.db2.gz LMWGXXTXRUAXEN-JTQLQIEISA-N 0 0 342.367 2.905 10 5 EFBERN COc1cc(CN2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184199580 533804786 /nfs/dbraw/zinc/80/47/86/533804786.db2.gz GMPBAFRFEGKWSS-CQSZACIVSA-N 0 0 334.351 2.813 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000180979710 533895339 /nfs/dbraw/zinc/89/53/39/533895339.db2.gz KCTKQOWSMDAUFQ-UHFFFAOYSA-N 0 0 328.368 2.846 10 5 EFBERN C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000174427488 533943835 /nfs/dbraw/zinc/94/38/35/533943835.db2.gz YELDOHAHMLZQOE-SJKOYZFVSA-N 0 0 346.362 2.930 10 5 EFBERN C[C@@H](COCc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183596956 534158259 /nfs/dbraw/zinc/15/82/59/534158259.db2.gz LBXFLNRPWZOBNS-LBPRGKRZSA-N 0 0 330.344 2.717 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H](O)C1CCCCC1 ZINC000191320382 534318560 /nfs/dbraw/zinc/31/85/60/534318560.db2.gz KRFZEWRNGVXPQN-KRWDZBQOSA-N 0 0 343.383 2.760 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000183338852 518442543 /nfs/dbraw/zinc/44/25/43/518442543.db2.gz LNZBDMPQPBCKKY-GLMZGONXSA-N 0 0 338.363 2.773 10 5 EFBERN CC(C)(C)c1noc(CCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000075517899 519130679 /nfs/dbraw/zinc/13/06/79/519130679.db2.gz RMEVIFLZSJOICW-UHFFFAOYSA-N 0 0 344.371 2.797 10 5 EFBERN CC(C)(Cc1ccccc1Cl)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183532631 519289312 /nfs/dbraw/zinc/28/93/12/519289312.db2.gz GZLILLFPWWNDBT-UHFFFAOYSA-N 0 0 348.790 2.977 10 5 EFBERN Cc1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184577399 534430363 /nfs/dbraw/zinc/43/03/63/534430363.db2.gz QPODCMJOGTUYEH-UHFFFAOYSA-N 0 0 348.380 2.632 10 5 EFBERN CC(=O)Nc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000057835425 519736617 /nfs/dbraw/zinc/73/66/17/519736617.db2.gz HVBWHFKZJFFUEO-UHFFFAOYSA-N 0 0 325.324 2.756 10 5 EFBERN CC(C)[C@@H](C)CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000172451812 519790575 /nfs/dbraw/zinc/79/05/75/519790575.db2.gz WXQZSHLIEKFZCN-LBPRGKRZSA-N 0 0 349.387 2.691 10 5 EFBERN CCC1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000193563056 519854278 /nfs/dbraw/zinc/85/42/78/519854278.db2.gz PIFMYHKJBWIFHV-UHFFFAOYSA-N 0 0 349.387 2.627 10 5 EFBERN CCN(CC)C(=O)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153646908 520443044 /nfs/dbraw/zinc/44/30/44/520443044.db2.gz JZZIEXKKFOZNCH-UHFFFAOYSA-N 0 0 340.811 2.728 10 5 EFBERN CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccc21 ZINC000154866767 520527129 /nfs/dbraw/zinc/52/71/29/520527129.db2.gz VVNBFWMHQXVNSS-CQSZACIVSA-N 0 0 326.356 2.923 10 5 EFBERN CCOc1ccc(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000183381226 520890652 /nfs/dbraw/zinc/89/06/52/520890652.db2.gz RGYGJPBOEYMSEM-DZGCQCFKSA-N 0 0 336.388 2.617 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000170675135 520896071 /nfs/dbraw/zinc/89/60/71/520896071.db2.gz CKLASVACAWCYGL-CYBMUJFWSA-N 0 0 344.371 2.736 10 5 EFBERN CCOc1ccc(C(=O)N2CCOC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000071044706 520898653 /nfs/dbraw/zinc/89/86/53/520898653.db2.gz UCZNHBOUBLMHSO-CQSZACIVSA-N 0 0 336.388 2.881 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000151224295 520900393 /nfs/dbraw/zinc/90/03/93/520900393.db2.gz NZPXSCTUOBCLCA-KSSFIOAISA-N 0 0 348.399 2.761 10 5 EFBERN CCOC(=O)Cc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000071046770 520907235 /nfs/dbraw/zinc/90/72/35/520907235.db2.gz ORGBDRJUWNRFSU-UHFFFAOYSA-N 0 0 342.351 2.882 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000073264488 520912647 /nfs/dbraw/zinc/91/26/47/520912647.db2.gz RGUBBDQVJSHLRW-PBHICJAKSA-N 0 0 336.388 2.927 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000154800641 520914555 /nfs/dbraw/zinc/91/45/55/520914555.db2.gz WEWHAUFKAYALMO-UMVBOHGHSA-N 0 0 334.372 2.681 10 5 EFBERN CC(C)(C)C(C)(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356812195 534534433 /nfs/dbraw/zinc/53/44/33/534534433.db2.gz IFDMVFXZYUGAGD-UHFFFAOYSA-N 0 0 335.404 2.656 10 5 EFBERN CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000356349642 534540525 /nfs/dbraw/zinc/54/05/25/534540525.db2.gz FDCWVFUUJXSQQB-UHFFFAOYSA-N 0 0 347.415 2.708 10 5 EFBERN CCN(CCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000794 521166352 /nfs/dbraw/zinc/16/63/52/521166352.db2.gz OVMHPFAVGBJUMQ-UHFFFAOYSA-N 0 0 340.426 2.910 10 5 EFBERN CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064240920 521373111 /nfs/dbraw/zinc/37/31/11/521373111.db2.gz HHKSNMRXXXUKDA-UHFFFAOYSA-N 0 0 326.399 2.867 10 5 EFBERN CCCc1cc(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)n[nH]1 ZINC000109913157 521376959 /nfs/dbraw/zinc/37/69/59/521376959.db2.gz GBJOTCUDYQHIOF-UHFFFAOYSA-N 0 0 346.343 2.699 10 5 EFBERN CCC1(CC)[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)[C@H]1OC ZINC000245638131 521698620 /nfs/dbraw/zinc/69/86/20/521698620.db2.gz XSVZHQCHTCRLSZ-VCTAVGKDSA-N 0 0 335.404 2.868 10 5 EFBERN CNC(=O)c1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000172774917 521862751 /nfs/dbraw/zinc/86/27/51/521862751.db2.gz ZWKOSNQAFXDNNW-NSHDSACASA-N 0 0 339.351 2.546 10 5 EFBERN COCCc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n(C)n1 ZINC000092762210 522009545 /nfs/dbraw/zinc/00/95/45/522009545.db2.gz SCYRCSDBLVKWSP-UHFFFAOYSA-N 0 0 346.387 2.695 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1Cl ZINC000118260108 522120044 /nfs/dbraw/zinc/12/00/44/522120044.db2.gz SYEWPFHLRIVAGG-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnccc1CO ZINC000184915145 522306102 /nfs/dbraw/zinc/30/61/02/522306102.db2.gz PMZIKQYSHOXHRJ-CYBMUJFWSA-N 0 0 329.356 2.690 10 5 EFBERN CC[C@H](NC(=O)N(C)C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000186396928 522407637 /nfs/dbraw/zinc/40/76/37/522407637.db2.gz NJRZSQRGOMDWRC-RYUDHWBXSA-N 0 0 349.309 2.611 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(C)n1 ZINC000185257033 522626517 /nfs/dbraw/zinc/62/65/17/522626517.db2.gz DMIXFBFXKRUHER-AWEZNQCLSA-N 0 0 328.372 2.578 10 5 EFBERN COc1cc(NC2CCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1F ZINC000121939877 522739409 /nfs/dbraw/zinc/73/94/09/522739409.db2.gz APTPXNZHUAIXEQ-UHFFFAOYSA-N 0 0 347.350 2.613 10 5 EFBERN CC[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000188967473 522796087 /nfs/dbraw/zinc/79/60/87/522796087.db2.gz YRLVKCAWRHSGFK-CYBMUJFWSA-N 0 0 331.376 2.822 10 5 EFBERN CCn1cc(C2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cn1 ZINC000195498487 523359997 /nfs/dbraw/zinc/35/99/97/523359997.db2.gz ABINKQWLGUXIHA-UHFFFAOYSA-N 0 0 346.416 2.904 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000153980861 534719930 /nfs/dbraw/zinc/71/99/30/534719930.db2.gz HXMOARGDAWRNOW-GHMZBOCLSA-N 0 0 336.369 2.978 10 5 EFBERN CCn1cnnc1[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195520205 523607337 /nfs/dbraw/zinc/60/73/37/523607337.db2.gz RISPMFUGTKAFNE-LBPRGKRZSA-N 0 0 333.367 2.725 10 5 EFBERN CCc1[nH]nc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000089487358 523673728 /nfs/dbraw/zinc/67/37/28/523673728.db2.gz NBUPXRMMCLKLMH-UHFFFAOYSA-N 0 0 327.344 2.851 10 5 EFBERN CN1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000246207769 523807561 /nfs/dbraw/zinc/80/75/61/523807561.db2.gz BXVKVNFPKVAEMM-GOSISDBHSA-N 0 0 327.384 2.975 10 5 EFBERN CCc1ccc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1[N+](=O)[O-] ZINC000246231377 523886858 /nfs/dbraw/zinc/88/68/58/523886858.db2.gz FUUSTHRBZJLWCW-USXIJHARSA-N 0 0 348.399 2.566 10 5 EFBERN CCc1ccc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1[N+](=O)[O-] ZINC000246231374 523887154 /nfs/dbraw/zinc/88/71/54/523887154.db2.gz FUUSTHRBZJLWCW-BHYGNILZSA-N 0 0 348.399 2.566 10 5 EFBERN CC(=O)Nc1cccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000360526677 534749837 /nfs/dbraw/zinc/74/98/37/534749837.db2.gz UVEDKSXAQDEEJD-UHFFFAOYSA-N 0 0 327.340 2.792 10 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ZKPQVZWWIZPQIF-UHFFFAOYSA-N 0 0 339.351 2.875 10 5 EFBERN CCc1ccc([C@H]2COCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)o1 ZINC000134005747 524056271 /nfs/dbraw/zinc/05/62/71/524056271.db2.gz OJCJYYRNXSHGQP-OAHLLOKOSA-N 0 0 345.355 2.667 10 5 EFBERN COc1ccc(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000089767357 524133121 /nfs/dbraw/zinc/13/31/21/524133121.db2.gz IMIQXQOAQJEFHI-GFCCVEGCSA-N 0 0 343.383 2.915 10 5 EFBERN COc1ccc(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000089767356 524150830 /nfs/dbraw/zinc/15/08/30/524150830.db2.gz IMIQXQOAQJEFHI-LBPRGKRZSA-N 0 0 343.383 2.915 10 5 EFBERN COc1cccc2c1CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000193236606 524206250 /nfs/dbraw/zinc/20/62/50/524206250.db2.gz KSRWREVUQLTQLO-UHFFFAOYSA-N 0 0 340.379 2.773 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000184477946 524340389 /nfs/dbraw/zinc/34/03/89/524340389.db2.gz KXTQRUWJEMBQPT-WBVHZDCISA-N 0 0 341.367 2.991 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000120279364 524340933 /nfs/dbraw/zinc/34/09/33/524340933.db2.gz ZFOBTVYDNVYWLF-CHWSQXEVSA-N 0 0 348.403 2.767 10 5 EFBERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000175146873 534777420 /nfs/dbraw/zinc/77/74/20/534777420.db2.gz LUHMZJCHECKPPW-HNNXBMFYSA-N 0 0 329.360 2.796 10 5 EFBERN COc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000075512229 524487511 /nfs/dbraw/zinc/48/75/11/524487511.db2.gz NKCSBBGTSHAKLZ-UHFFFAOYSA-N 0 0 348.359 2.855 10 5 EFBERN Cc1cccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000116670759 524540321 /nfs/dbraw/zinc/54/03/21/524540321.db2.gz GJCMZMGAXGSQKJ-UHFFFAOYSA-N 0 0 340.383 2.697 10 5 EFBERN C[C@H](COCc1ccccc1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181134426 524580651 /nfs/dbraw/zinc/58/06/51/524580651.db2.gz OWGLUYQCOXUTKQ-GFCCVEGCSA-N 0 0 329.356 2.512 10 5 EFBERN COc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000075285261 524644148 /nfs/dbraw/zinc/64/41/48/524644148.db2.gz DLDIHBLFELUEBA-UHFFFAOYSA-N 0 0 329.312 2.814 10 5 EFBERN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000184715228 524660262 /nfs/dbraw/zinc/66/02/62/524660262.db2.gz IQGBFMVQBGEAQC-GFCCVEGCSA-N 0 0 328.372 2.584 10 5 EFBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000119999518 524700487 /nfs/dbraw/zinc/70/04/87/524700487.db2.gz BSOSSBHRICUNKF-CYBMUJFWSA-N 0 0 328.368 2.933 10 5 EFBERN C[C@@H](Cc1ccccc1F)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066333862 524924782 /nfs/dbraw/zinc/92/47/82/524924782.db2.gz DSOSGYJFLIHAKV-VIFPVBQESA-N 0 0 344.389 2.705 10 5 EFBERN Cc1cccc2nc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cn21 ZINC000068568829 524984992 /nfs/dbraw/zinc/98/49/92/524984992.db2.gz REAXWQIBMYGFMA-UHFFFAOYSA-N 0 0 349.350 2.962 10 5 EFBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000120442472 524989203 /nfs/dbraw/zinc/98/92/03/524989203.db2.gz UJPJTGDEKMLNCH-LRDDRELGSA-N 0 0 326.352 2.818 10 5 EFBERN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000152674433 525119134 /nfs/dbraw/zinc/11/91/34/525119134.db2.gz ZGNFIFBUWZYUNF-MLGOLLRUSA-N 0 0 342.351 2.655 10 5 EFBERN Cc1cc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000153698945 525180241 /nfs/dbraw/zinc/18/02/41/525180241.db2.gz YVIYQZRRHHQAHX-OAHLLOKOSA-N 0 0 342.355 2.983 10 5 EFBERN C[C@]1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1(Cl)Cl ZINC000188449208 525190089 /nfs/dbraw/zinc/19/00/89/525190089.db2.gz HUVXWKGZSOPMCW-CYBMUJFWSA-N 0 0 345.182 2.768 10 5 EFBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000155931654 525241323 /nfs/dbraw/zinc/24/13/23/525241323.db2.gz ABGVOTQRHVHBMJ-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN COc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F ZINC000078441761 525306785 /nfs/dbraw/zinc/30/67/85/525306785.db2.gz GOAVUHUEYXWXMU-NSHDSACASA-N 0 0 348.330 2.999 10 5 EFBERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000074629572 525428287 /nfs/dbraw/zinc/42/82/87/525428287.db2.gz XCEMJFPUOILYRK-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c1 ZINC000120356882 525448687 /nfs/dbraw/zinc/44/86/87/525448687.db2.gz VGQPVKDWFXMGOO-IAQYHMDHSA-N 0 0 342.351 2.898 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2nccs2)C1 ZINC000195521173 525458049 /nfs/dbraw/zinc/45/80/49/525458049.db2.gz MNLQFISEGGYWOI-AWEZNQCLSA-N 0 0 335.385 2.633 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N(C)C(C)=O ZINC000118262724 525458190 /nfs/dbraw/zinc/45/81/90/525458190.db2.gz UKOOVMWRUGPOOM-UHFFFAOYSA-N 0 0 343.339 2.838 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117623665 525461473 /nfs/dbraw/zinc/46/14/73/525461473.db2.gz JHTIJDILTMDJBB-DIFFPNOSSA-N 0 0 342.351 2.784 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@](C)(O)CCC(C)C ZINC000077658310 525467503 /nfs/dbraw/zinc/46/75/03/525467503.db2.gz PXLSRLOUTPUVFV-MRXNPFEDSA-N 0 0 339.392 2.912 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1COc2ccccc21 ZINC000058601024 525468069 /nfs/dbraw/zinc/46/80/69/525468069.db2.gz ZMQWWLMFERWMEV-ZDUSSCGKSA-N 0 0 329.312 2.859 10 5 EFBERN Cc1c(Br)c(N[C@H](C)c2cn[nH]c2)ncc1[N+](=O)[O-] ZINC000230588776 525523016 /nfs/dbraw/zinc/52/30/16/525523016.db2.gz KMSJPTOCFUDWDZ-SSDOTTSWSA-N 0 0 326.154 2.957 10 5 EFBERN Cc1c(Br)c(NCC[C@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000230591456 525523852 /nfs/dbraw/zinc/52/38/52/525523852.db2.gz KTCQAGRWCMOEGC-VIFPVBQESA-N 0 0 330.182 2.899 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)Cc1ccccc1N ZINC000158452267 525557521 /nfs/dbraw/zinc/55/75/21/525557521.db2.gz BRHQKPGDLKWZDJ-UHFFFAOYSA-N 0 0 349.412 2.615 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000154936909 525558312 /nfs/dbraw/zinc/55/83/12/525558312.db2.gz BTRDDCRUNCAUGM-HNNXBMFYSA-N 0 0 328.372 2.786 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000188787658 525561392 /nfs/dbraw/zinc/56/13/92/525561392.db2.gz OQPLIWPUQGPGDN-LBPRGKRZSA-N 0 0 343.387 2.835 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000195235931 525561553 /nfs/dbraw/zinc/56/15/53/525561553.db2.gz XMMHRQWZQGMQKS-HNNXBMFYSA-N 0 0 339.351 2.759 10 5 EFBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1F ZINC000119042294 525575937 /nfs/dbraw/zinc/57/59/37/525575937.db2.gz BZTIUYFEAYNDQL-SSDOTTSWSA-N 0 0 348.352 2.974 10 5 EFBERN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000341197998 534876286 /nfs/dbraw/zinc/87/62/86/534876286.db2.gz VREMWBNYLQHATO-NSHDSACASA-N 0 0 348.380 2.837 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc1[N+](=O)[O-] ZINC000177834347 525712599 /nfs/dbraw/zinc/71/25/99/525712599.db2.gz QTGVORHMHFCDDI-HIFRSBDPSA-N 0 0 347.415 2.727 10 5 EFBERN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@]4(CCOC4)C3)o2)cc1 ZINC000187550115 534881365 /nfs/dbraw/zinc/88/13/65/534881365.db2.gz BOFNRKLWTGMDDC-GOSISDBHSA-N 0 0 344.367 2.846 10 5 EFBERN C[C@@]1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1(Cl)Cl ZINC000188449229 525783973 /nfs/dbraw/zinc/78/39/73/525783973.db2.gz HUVXWKGZSOPMCW-ZDUSSCGKSA-N 0 0 345.182 2.768 10 5 EFBERN Cc1c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000183062487 525842040 /nfs/dbraw/zinc/84/20/40/525842040.db2.gz BOEJLQHXWQBOMN-ZDUSSCGKSA-N 0 0 330.348 2.780 10 5 EFBERN Cc1c(OC(=O)[C@@H]2CCCN2c2nccs2)cccc1[N+](=O)[O-] ZINC000194203994 525880619 /nfs/dbraw/zinc/88/06/19/525880619.db2.gz WGQUCZIMWXOACI-LBPRGKRZSA-N 0 0 333.369 2.934 10 5 EFBERN Cc1c([C@@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1C ZINC000195215129 525890879 /nfs/dbraw/zinc/89/08/79/525890879.db2.gz GUCZFYYLPLQHQM-SECBINFHSA-N 0 0 327.344 2.609 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000058726219 525928948 /nfs/dbraw/zinc/92/89/48/525928948.db2.gz OCWWTKHYXNPVEH-LBPRGKRZSA-N 0 0 343.295 2.675 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCCO1 ZINC000076968149 525932815 /nfs/dbraw/zinc/93/28/15/525932815.db2.gz RIIDGCYCFKHZTQ-CMPLNLGQSA-N 0 0 342.779 2.653 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CCOCC1 ZINC000121389364 525988458 /nfs/dbraw/zinc/98/84/58/525988458.db2.gz CSJBUKXEUHGJEJ-GFCCVEGCSA-N 0 0 338.429 2.960 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000247013973 525989476 /nfs/dbraw/zinc/98/94/76/525989476.db2.gz NZWKOAPEJSDMRN-YWPYICTPSA-N 0 0 338.429 2.743 10 5 EFBERN Cc1ccc([C@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000179124044 526020133 /nfs/dbraw/zinc/02/01/33/526020133.db2.gz PNHJGTDUGDTFIU-MRXNPFEDSA-N 0 0 345.355 2.779 10 5 EFBERN Cc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCO2)o1 ZINC000127278055 526022680 /nfs/dbraw/zinc/02/26/80/526022680.db2.gz OSRIZGXGLINICU-OAHLLOKOSA-N 0 0 334.303 2.849 10 5 EFBERN Cc1ccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCO2)o1 ZINC000194051203 526024011 /nfs/dbraw/zinc/02/40/11/526024011.db2.gz BKIAMMCGGBTGMM-MRXNPFEDSA-N 0 0 347.327 2.978 10 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526124661 /nfs/dbraw/zinc/12/46/61/526124661.db2.gz KEGDLYNJJQPMAC-POJUEXTFSA-N 0 0 344.342 2.612 10 5 EFBERN Cc1cc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000135390156 526255792 /nfs/dbraw/zinc/25/57/92/526255792.db2.gz OWCZPXXGZHYFPQ-QGZVFWFLSA-N 0 0 342.351 2.823 10 5 EFBERN Cc1csc(C2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)n1 ZINC000180751297 526330076 /nfs/dbraw/zinc/33/00/76/526330076.db2.gz HDLDZVKLEMQXNK-UHFFFAOYSA-N 0 0 346.412 2.962 10 5 EFBERN O=C(NCCc1csc(N2CCCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000114852610 526455557 /nfs/dbraw/zinc/45/55/57/526455557.db2.gz NGICGRNSDXJTBE-UHFFFAOYSA-N 0 0 346.412 2.624 10 5 EFBERN CC(=O)N1CCC[C@H](C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176947116 526584670 /nfs/dbraw/zinc/58/46/70/526584670.db2.gz DRGBFTCHCPDDGN-DOMZBBRYSA-N 0 0 334.372 2.766 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2cc[nH]n2)CC1 ZINC000125478329 526610868 /nfs/dbraw/zinc/61/08/68/526610868.db2.gz OPWNWLYLJAYZAD-UHFFFAOYSA-N 0 0 334.763 2.991 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2cccnc2)C1 ZINC000135782626 526612174 /nfs/dbraw/zinc/61/21/74/526612174.db2.gz MEXFQMPICRWYRU-CYBMUJFWSA-N 0 0 347.758 2.937 10 5 EFBERN O=C(c1cc(NCCC2=CCOCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000158089389 526625911 /nfs/dbraw/zinc/62/59/11/526625911.db2.gz NMRSZZAEJMUEEZ-UHFFFAOYSA-N 0 0 345.399 2.980 10 5 EFBERN O=C(NCc1ccccc1-n1cccn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177268518 526740998 /nfs/dbraw/zinc/74/09/98/526740998.db2.gz IKEIRLUYQDLGPX-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN Cc1sc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000154837657 526871108 /nfs/dbraw/zinc/87/11/08/526871108.db2.gz TVLTUCLHOMXQRO-LLVKDONJSA-N 0 0 334.401 2.848 10 5 EFBERN Cc1sc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000195048170 526872928 /nfs/dbraw/zinc/87/29/28/526872928.db2.gz XSJDKMALRHHTCK-LLVKDONJSA-N 0 0 345.380 2.500 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(C2CCOCC2)CC1 ZINC000156931813 526900403 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C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(F)(F)F ZINC000744338394 1270993010 /nfs/dbraw/zinc/99/30/10/1270993010.db2.gz LLSPWNSTOHPIDE-VIFPVBQESA-N 0 0 348.277 2.539 10 5 EFBERN COc1ccc(OC(=O)c2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000792122519 1278600099 /nfs/dbraw/zinc/60/00/99/1278600099.db2.gz ZQIAVLZHPRHFID-UHFFFAOYSA-N 0 0 330.296 2.781 10 5 EFBERN Cn1c(C(=O)OCc2ccn(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000744605668 1271111229 /nfs/dbraw/zinc/11/12/29/1271111229.db2.gz BISTWKKRKDPOPE-UHFFFAOYSA-N 0 0 344.302 2.615 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000843850309 1278608857 /nfs/dbraw/zinc/60/88/57/1278608857.db2.gz FNQAEYMKJBJLOA-VIFPVBQESA-N 0 0 332.278 2.886 10 5 EFBERN NC(=O)c1ccc(COC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001128847142 1271171079 /nfs/dbraw/zinc/17/10/79/1271171079.db2.gz JOAAQKCMTSSISE-CVEARBPZSA-N 0 0 340.335 2.541 10 5 EFBERN CCCCOC(=O)[C@H](C)OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000744905103 1271236816 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CC(=O)CCC(C)(C)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792200869 1278638962 /nfs/dbraw/zinc/63/89/62/1278638962.db2.gz IEQRTVNTKPYYBK-UHFFFAOYSA-N 0 0 338.316 2.942 10 5 EFBERN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(F)cn1 ZINC001128914499 1271560723 /nfs/dbraw/zinc/56/07/23/1271560723.db2.gz FZMRXHYABKPHJD-UHFFFAOYSA-N 0 0 326.287 2.954 10 5 EFBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000746295822 1271964479 /nfs/dbraw/zinc/96/44/79/1271964479.db2.gz GDCUSQDLHQNRJE-LLVKDONJSA-N 0 0 329.356 2.985 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@]1(O)CCc2ccccc21 ZINC000843952034 1278675809 /nfs/dbraw/zinc/67/58/09/1278675809.db2.gz DGDXWPNXBVARSE-LJQANCHMSA-N 0 0 340.379 2.809 10 5 EFBERN CN(CC1CCCCC1)C(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC001168894867 1272466354 /nfs/dbraw/zinc/46/63/54/1272466354.db2.gz YPCCKDDTUWSERG-UHFFFAOYSA-N 0 0 331.416 2.996 10 5 EFBERN Cc1cc2occ(CC(=O)Nc3c([N+](=O)[O-])ncn3C)c2cc1C ZINC001128984879 1272507965 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10 5 EFBERN C[C@@H](COC(=O)Cc1ccc(Br)c(Cl)c1)[N+](=O)[O-] ZINC000813100739 1285651724 /nfs/dbraw/zinc/65/17/24/1285651724.db2.gz WGFTYFGSAPUCPT-ZETCQYMHSA-N 0 0 336.569 2.853 10 5 EFBERN CCCc1c(C(=O)OC[C@@H](C)[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000813104649 1285653778 /nfs/dbraw/zinc/65/37/78/1285653778.db2.gz FQVKUVKZFQEPTM-CYBMUJFWSA-N 0 0 331.372 2.706 10 5 EFBERN C[C@@H](COC(=O)CSCc1cc(-c2cccs2)on1)[N+](=O)[O-] ZINC000813104666 1285654078 /nfs/dbraw/zinc/65/40/78/1285654078.db2.gz FRVVERFBZRJHTO-VIFPVBQESA-N 0 0 342.398 2.845 10 5 EFBERN C[C@H](COC(=O)Cc1cc(Cl)ccc1Br)[N+](=O)[O-] ZINC000813106072 1285654548 /nfs/dbraw/zinc/65/45/48/1285654548.db2.gz XSAWSVWVXWWSPV-SSDOTTSWSA-N 0 0 336.569 2.853 10 5 EFBERN COC[C@H](C)[C@H](C)C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000813077336 1285658642 /nfs/dbraw/zinc/65/86/42/1285658642.db2.gz VHTPBYHLNRYVLF-XUXIUFHCSA-N 0 0 339.392 2.737 10 5 EFBERN COC[C@H](C)[C@@H](C)C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000813087947 1285665365 /nfs/dbraw/zinc/66/53/65/1285665365.db2.gz FEDSJFROLAJZLC-ZENOOKHLSA-N 0 0 336.388 2.635 10 5 EFBERN C[C@H](COC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)[N+](=O)[O-] ZINC000813106735 1285677462 /nfs/dbraw/zinc/67/74/62/1285677462.db2.gz HFCZGSLBIHIBTF-SECBINFHSA-N 0 0 343.261 2.713 10 5 EFBERN C[C@@H](COC(=O)C1(c2ccccc2Cl)CCOCC1)[N+](=O)[O-] ZINC000813110886 1285682982 /nfs/dbraw/zinc/68/29/82/1285682982.db2.gz LLWXMVJMMQGZMV-NSHDSACASA-N 0 0 327.764 2.597 10 5 EFBERN Cc1ccc(/C=C/C(=O)OC[C@@H](C)[N+](=O)[O-])c(Br)c1 ZINC000813113645 1285683673 /nfs/dbraw/zinc/68/36/73/1285683673.db2.gz SBOVTCGPUVLWKS-BRAIEQGRSA-N 0 0 328.162 2.979 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(C2CC2)no1 ZINC001133609921 1285684529 /nfs/dbraw/zinc/68/45/29/1285684529.db2.gz VNGJJLKAHYLFHB-UHFFFAOYSA-N 0 0 340.339 2.800 10 5 EFBERN CC[C@H]1CC[C@H](C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000813173892 1285704186 /nfs/dbraw/zinc/70/41/86/1285704186.db2.gz LXPULRQPRRKYED-YESZJQIVSA-N 0 0 348.399 2.670 10 5 EFBERN CCOC(=O)C1(COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000813148400 1285706537 /nfs/dbraw/zinc/70/65/37/1285706537.db2.gz GGUBIFFWKUIJJP-LBPRGKRZSA-N 0 0 335.356 2.975 10 5 EFBERN CS(=O)(=O)c1cc(C(=O)OCCCCC2CC2)cc([N+](=O)[O-])c1 ZINC000813180459 1285713318 /nfs/dbraw/zinc/71/33/18/1285713318.db2.gz CSDQDYFJFWMGJR-UHFFFAOYSA-N 0 0 341.385 2.735 10 5 EFBERN O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1c(F)cccc1[N+](=O)[O-] ZINC001133706221 1285808822 /nfs/dbraw/zinc/80/88/22/1285808822.db2.gz ICJCCUAZKRGGPK-ABAIWWIYSA-N 0 0 334.278 2.936 10 5 EFBERN CC1(C)[C@@H](O)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813316709 1285811106 /nfs/dbraw/zinc/81/11/06/1285811106.db2.gz QFVSNJOYCRDAJC-JTQLQIEISA-N 0 0 333.171 2.887 10 5 EFBERN COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c1OC ZINC001133715118 1285816212 /nfs/dbraw/zinc/81/62/12/1285816212.db2.gz SAXGHMMYLNFKMH-UHFFFAOYSA-N 0 0 332.312 2.873 10 5 EFBERN CCn1cc(Cl)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC001133729411 1285843631 /nfs/dbraw/zinc/84/36/31/1285843631.db2.gz YKZBYHHXJMQXGO-UHFFFAOYSA-N 0 0 334.723 2.593 10 5 EFBERN O=C(/C=C\COc1ccccc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000813394600 1285877951 /nfs/dbraw/zinc/87/79/51/1285877951.db2.gz VFRVMUHHLWIJOF-WDZFZDKYSA-N 0 0 341.367 2.758 10 5 EFBERN CN(CC(=O)N=[S@](C)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001133775943 1285910064 /nfs/dbraw/zinc/91/00/64/1285910064.db2.gz OQPFZZKTZSYSDL-XMMPIXPASA-N 0 0 347.396 2.715 10 5 EFBERN CN(CC(=O)N=[S@@](C)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001133775942 1285910782 /nfs/dbraw/zinc/91/07/82/1285910782.db2.gz OQPFZZKTZSYSDL-DEOSSOPVSA-N 0 0 347.396 2.715 10 5 EFBERN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000813467794 1285938457 /nfs/dbraw/zinc/93/84/57/1285938457.db2.gz NCUKXYNKGWQUGA-DTORHVGOSA-N 0 0 331.155 2.905 10 5 EFBERN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3C)sc2n1 ZINC001133810520 1285982659 /nfs/dbraw/zinc/98/26/59/1285982659.db2.gz KZKZAFQOJSCBNN-UHFFFAOYSA-N 0 0 329.341 2.864 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1ncon1 ZINC001179109340 1289044807 /nfs/dbraw/zinc/04/48/07/1289044807.db2.gz FJAXNCWLTCOTRW-VIFPVBQESA-N 0 0 336.373 2.510 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](O)c1ccccc1F ZINC000813585967 1286001848 /nfs/dbraw/zinc/00/18/48/1286001848.db2.gz UOUBHXVVVGQRFQ-MRXNPFEDSA-N 0 0 327.315 2.850 10 5 EFBERN CN(CCNc1c2ccccc2ncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000813589193 1286002708 /nfs/dbraw/zinc/00/27/08/1286002708.db2.gz AYHDVXIKDFIIKD-UHFFFAOYSA-N 0 0 346.387 2.844 10 5 EFBERN C[C@](O)(CNc1c2ccccc2ncc1[N+](=O)[O-])c1cccs1 ZINC000813595717 1286007345 /nfs/dbraw/zinc/00/73/45/1286007345.db2.gz GPRPOIMTRODCPR-INIZCTEOSA-N 0 0 329.381 2.946 10 5 EFBERN C[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000813596091 1286007728 /nfs/dbraw/zinc/00/77/28/1286007728.db2.gz QUWGPQWWWMDGHJ-LBPRGKRZSA-N 0 0 331.372 2.766 10 5 EFBERN Cc1nc(CNc2c3ccccc3ncc2[N+](=O)[O-])ccc1[C@@H](C)O ZINC000813599061 1286008663 /nfs/dbraw/zinc/00/86/63/1286008663.db2.gz ANAADDQOOGPXCY-GFCCVEGCSA-N 0 0 338.367 2.934 10 5 EFBERN CC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc2ccccc21 ZINC001133851342 1286013840 /nfs/dbraw/zinc/01/38/40/1286013840.db2.gz BNZJAXAMKIMWGU-OAHLLOKOSA-N 0 0 339.355 2.607 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2snnc2C)c([N+](=O)[O-])c1 ZINC000813631121 1286049305 /nfs/dbraw/zinc/04/93/05/1286049305.db2.gz VURTYGWOQKKSHL-GQCTYLIASA-N 0 0 334.357 2.553 10 5 EFBERN O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1ccc([N+](=O)[O-])cn1 ZINC001133855733 1286050075 /nfs/dbraw/zinc/05/00/75/1286050075.db2.gz JLWOFUHUHDMZJL-AWEZNQCLSA-N 0 0 340.339 2.583 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001133873896 1286059437 /nfs/dbraw/zinc/05/94/37/1286059437.db2.gz PEBVTBHCHDVCAJ-CHWSQXEVSA-N 0 0 345.380 2.758 10 5 EFBERN COc1nscc1CN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001179122799 1289049799 /nfs/dbraw/zinc/04/97/99/1289049799.db2.gz WNLQSJLUSVPXTD-UHFFFAOYSA-N 0 0 346.368 2.813 10 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1286269070 /nfs/dbraw/zinc/26/90/70/1286269070.db2.gz VRXSOTBONQEVCI-VIFPVBQESA-N 0 0 328.390 2.863 10 5 EFBERN Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-])c(Br)c1 ZINC000814037785 1286269193 /nfs/dbraw/zinc/26/91/93/1286269193.db2.gz GMUZYXPVVRUZOJ-VHSXEESVSA-N 0 0 346.177 2.733 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000814038776 1286270430 /nfs/dbraw/zinc/27/04/30/1286270430.db2.gz HKTZCXVDUDMUHN-NXEZZACHSA-N 0 0 330.178 2.836 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000814041063 1286272641 /nfs/dbraw/zinc/27/26/41/1286272641.db2.gz OOKLLAUACQRUAU-KSSFIOAISA-N 0 0 340.379 2.999 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)COc1ccccc1Cc1ccccc1 ZINC000814043249 1286272768 /nfs/dbraw/zinc/27/27/68/1286272768.db2.gz CCAIPTLUQPSCGH-CQSZACIVSA-N 0 0 329.352 2.865 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)C1(c2ccccc2Br)CC1 ZINC000814042289 1286273069 /nfs/dbraw/zinc/27/30/69/1286273069.db2.gz VTUCMGWBYJYYQK-VIFPVBQESA-N 0 0 328.162 2.689 10 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COc1cc(COC(=O)c2cc(F)c(F)cc2N)ccc1[N+](=O)[O-] ZINC000778797199 1297720818 /nfs/dbraw/zinc/72/08/18/1297720818.db2.gz VGRJMGQNJIBQEZ-UHFFFAOYSA-N 0 0 338.266 2.821 10 5 EFBERN CC[C@@H](SC)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001177681343 1288507295 /nfs/dbraw/zinc/50/72/95/1288507295.db2.gz OPIKYICZPCTPAI-CYBMUJFWSA-N 0 0 336.417 2.662 10 5 EFBERN O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1ccc([N+](=O)[O-])cc1F ZINC001177744700 1288531013 /nfs/dbraw/zinc/53/10/13/1288531013.db2.gz AAJGWWRRYKGNJK-HIFRSBDPSA-N 0 0 334.278 2.936 10 5 EFBERN CCc1nc2c(nccc2C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001177750182 1288532568 /nfs/dbraw/zinc/53/25/68/1288532568.db2.gz WZSVMSBDZIYPDE-JTQLQIEISA-N 0 0 339.355 2.920 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cccnc1Nc1ccccc1F ZINC001177805892 1288553954 /nfs/dbraw/zinc/55/39/54/1288553954.db2.gz HVSCBTANPNOFIM-UHFFFAOYSA-N 0 0 342.290 2.848 10 5 EFBERN C[C@H]1CCCN(c2ccc(C(=O)NOCC3CC3)cc2[N+](=O)[O-])C1 ZINC000817362188 1288576220 /nfs/dbraw/zinc/57/62/20/1288576220.db2.gz JBYCYHVOIIRNSP-LBPRGKRZSA-N 0 0 333.388 2.903 10 5 EFBERN Cc1c(Cl)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1C ZINC000817405391 1288586490 /nfs/dbraw/zinc/58/64/90/1288586490.db2.gz IBLBOXGXQIZKEI-UHFFFAOYSA-N 0 0 349.822 2.612 10 5 EFBERN O=C(NCc1ccc(Cl)s1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001135937776 1288645016 /nfs/dbraw/zinc/64/50/16/1288645016.db2.gz ZZAUXAMTFWMANQ-GFCCVEGCSA-N 0 0 326.761 2.660 10 5 EFBERN COC1([C@@H](C)NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000817508621 1288645848 /nfs/dbraw/zinc/64/58/48/1288645848.db2.gz USGCEBDRQHCIJD-WUFNSSIPSA-N 0 0 348.399 2.698 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCO1 ZINC000817638373 1288676183 /nfs/dbraw/zinc/67/61/83/1288676183.db2.gz FXTPAUNAOAOEAP-UKRRQHHQSA-N 0 0 347.415 2.882 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CCC(Cc3ncon3)CC2)c1[N+](=O)[O-] ZINC001178377788 1288758861 /nfs/dbraw/zinc/75/88/61/1288758861.db2.gz BITUZFVBMYZWCS-UHFFFAOYSA-N 0 0 348.334 2.520 10 5 EFBERN Cc1ccccc1[C@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001136500316 1288797158 /nfs/dbraw/zinc/79/71/58/1288797158.db2.gz LLVSWZCMSDGULE-JTQLQIEISA-N 0 0 334.763 2.909 10 5 EFBERN CC(C)Oc1cncc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001277648089 1312676069 /nfs/dbraw/zinc/67/60/69/1312676069.db2.gz DRKAKEOJUGFKHZ-ZIAGYGMSSA-N 0 0 342.355 2.914 10 5 EFBERN Cn1nccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001178687519 1288870800 /nfs/dbraw/zinc/87/08/00/1288870800.db2.gz XQXXQEGJPAVFDY-LBPRGKRZSA-N 0 0 349.778 2.541 10 5 EFBERN CC1(C)CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000822143381 1288891312 /nfs/dbraw/zinc/89/13/12/1288891312.db2.gz KCOQQCYCWBHMMF-DZGCQCFKSA-N 0 0 336.363 2.550 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cnn2c1CCC2 ZINC000822264402 1288921362 /nfs/dbraw/zinc/92/13/62/1288921362.db2.gz FCSDRPJKIFXJJZ-XFXZXTDPSA-N 0 0 327.340 2.884 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cnn2c1CCC2 ZINC000822264401 1288921694 /nfs/dbraw/zinc/92/16/94/1288921694.db2.gz FCSDRPJKIFXJJZ-FMIVXFBMSA-N 0 0 327.340 2.884 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](c2ncccn2)C1 ZINC001178848672 1288940798 /nfs/dbraw/zinc/94/07/98/1288940798.db2.gz AAHQGMQEQKFTFZ-LBPRGKRZSA-N 0 0 346.774 2.597 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cnn2c1CCCC2 ZINC001178928830 1288969641 /nfs/dbraw/zinc/96/96/41/1288969641.db2.gz LTUMXLBZEGIHJE-UHFFFAOYSA-N 0 0 348.790 2.640 10 5 EFBERN CC[C@@H]1OCC[C@H]1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822488542 1288989598 /nfs/dbraw/zinc/98/95/98/1288989598.db2.gz PICHOYOMCYMODU-OCCSQVGLSA-N 0 0 326.780 2.865 10 5 EFBERN Nc1c(C(=O)NC[C@H]2CCCC3(CCC3)O2)cc(F)cc1[N+](=O)[O-] ZINC001179552505 1289187351 /nfs/dbraw/zinc/18/73/51/1289187351.db2.gz PMTMXQUUTWUMTH-LLVKDONJSA-N 0 0 337.351 2.538 10 5 EFBERN C[C@@H]1CC[C@H](O)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000823114312 1289213968 /nfs/dbraw/zinc/21/39/68/1289213968.db2.gz USZCJYGEPKCGHI-MNOVXSKESA-N 0 0 326.780 2.553 10 5 EFBERN COc1cc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)ccc1C ZINC001165856243 1312692263 /nfs/dbraw/zinc/69/22/63/1312692263.db2.gz JAQYPEKVXUCLCO-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN C[C@@]12COC[C@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C2 ZINC000823254550 1289250406 /nfs/dbraw/zinc/25/04/06/1289250406.db2.gz XYCNWXYEFRDTTC-YMTOWFKASA-N 0 0 325.752 2.748 10 5 EFBERN C[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ncnn21 ZINC000823253846 1289250674 /nfs/dbraw/zinc/25/06/74/1289250674.db2.gz PGCZSXXZCYZEPU-CBAPKCEASA-N 0 0 336.739 2.667 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C=Cc2ccsc2)cc1[N+](=O)[O-] ZINC001171017508 1289297817 /nfs/dbraw/zinc/29/78/17/1289297817.db2.gz YTWUNPOZARTLGU-DJWKRKHSSA-N 0 0 346.364 2.677 10 5 EFBERN COc1ccccc1OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179875403 1289301623 /nfs/dbraw/zinc/30/16/23/1289301623.db2.gz UNJAEANXENSJCG-UHFFFAOYSA-N 0 0 331.328 2.512 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2COC[C@H]2c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001179878989 1289303272 /nfs/dbraw/zinc/30/32/72/1289303272.db2.gz HKYOGCJLGJUROT-KBPBESRZSA-N 0 0 341.367 2.854 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001179878995 1289303933 /nfs/dbraw/zinc/30/39/33/1289303933.db2.gz HKYOGCJLGJUROT-UONOGXRCSA-N 0 0 341.367 2.854 10 5 EFBERN CCOC(=O)Cc1ccc(N(C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000825626709 1289412600 /nfs/dbraw/zinc/41/26/00/1289412600.db2.gz AAMLVKYTMDALIE-CQSZACIVSA-N 0 0 336.388 2.706 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000825634914 1289443819 /nfs/dbraw/zinc/44/38/19/1289443819.db2.gz XYTNTMDXRWJOAY-ZIAGYGMSSA-N 0 0 348.399 2.887 10 5 EFBERN Cc1ccc(Cn2cnc3cnc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC001165965217 1312712190 /nfs/dbraw/zinc/71/21/90/1312712190.db2.gz FMMPNJGEKPLISF-UHFFFAOYSA-N 0 0 330.731 2.710 10 5 EFBERN Nc1ccc(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000823921093 1289492973 /nfs/dbraw/zinc/49/29/73/1289492973.db2.gz NSMIVLQBEOJBMJ-HUUCEWRRSA-N 0 0 334.376 2.646 10 5 EFBERN Nc1ccc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000823921091 1289493340 /nfs/dbraw/zinc/49/33/40/1289493340.db2.gz NSMIVLQBEOJBMJ-CABCVRRESA-N 0 0 334.376 2.646 10 5 EFBERN Nc1ccc(NC(=O)N[C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000823927268 1289494432 /nfs/dbraw/zinc/49/44/32/1289494432.db2.gz QYUPWVLFKQJYGK-OAHLLOKOSA-N 0 0 334.376 2.504 10 5 EFBERN CC(C)[C@H]1C[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000823933533 1289495153 /nfs/dbraw/zinc/49/51/53/1289495153.db2.gz SLNMVWBYGNZQFN-IAQYHMDHSA-N 0 0 336.392 2.750 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nccn3ccnc23)c1 ZINC001166029980 1312719938 /nfs/dbraw/zinc/71/99/38/1312719938.db2.gz KOUQFAOJFBLYPO-UHFFFAOYSA-N 0 0 344.352 2.716 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1c2ccccc2C[C@@H]1CO ZINC001166036329 1312721461 /nfs/dbraw/zinc/72/14/61/1312721461.db2.gz MBZBVRPBCYRTGO-CYBMUJFWSA-N 0 0 337.335 2.640 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1 ZINC001181021897 1289680033 /nfs/dbraw/zinc/68/00/33/1289680033.db2.gz KGNJUKVVUOANMD-UHFFFAOYSA-N 0 0 341.367 2.889 10 5 EFBERN CCCc1n[nH]c(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001181032999 1289698119 /nfs/dbraw/zinc/69/81/19/1289698119.db2.gz SIRMIRBVAIUZSH-ZIAGYGMSSA-N 0 0 342.399 2.879 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCC(c3cn[nH]c3)CC1)CCCC2 ZINC000825674386 1289711274 /nfs/dbraw/zinc/71/12/74/1289711274.db2.gz FLAFYKARDHFCEO-UHFFFAOYSA-N 0 0 327.388 2.976 10 5 EFBERN CO[C@H]1C[C@@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000873379637 1289773038 /nfs/dbraw/zinc/77/30/38/1289773038.db2.gz VFZWLXJLMXLLLV-KLPPZKSPSA-N 0 0 325.336 2.980 10 5 EFBERN CCN(C(=O)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC001166111890 1312732463 /nfs/dbraw/zinc/73/24/63/1312732463.db2.gz PJGPSMXFCXUZJW-UHFFFAOYSA-N 0 0 341.323 2.556 10 5 EFBERN CO[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001166130714 1312734985 /nfs/dbraw/zinc/73/49/85/1312734985.db2.gz HUOKRUHSUZCEJZ-HNNXBMFYSA-N 0 0 339.344 2.895 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](C)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000124572169 1289932503 /nfs/dbraw/zinc/93/25/03/1289932503.db2.gz CPIWRUFMPXNDCY-FZMZJTMJSA-N 0 0 348.355 2.829 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CCOC2(CCCC2)C1 ZINC000873581688 1289942437 /nfs/dbraw/zinc/94/24/37/1289942437.db2.gz QTFTURIYSHLBKG-CYBMUJFWSA-N 0 0 337.376 2.525 10 5 EFBERN O=C(OC[C@@H]1CCCCNC1=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000873620840 1289974335 /nfs/dbraw/zinc/97/43/35/1289974335.db2.gz ODVRBHOCIWXHPV-JTQLQIEISA-N 0 0 348.380 2.883 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001181877555 1289986553 /nfs/dbraw/zinc/98/65/53/1289986553.db2.gz QAHBAGYAWIDVRL-NSHDSACASA-N 0 0 342.367 2.570 10 5 EFBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC001166240183 1312751445 /nfs/dbraw/zinc/75/14/45/1312751445.db2.gz MZMAOAHMIGSBKP-SECBINFHSA-N 0 0 347.114 2.740 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1)Nc1ccccc1 ZINC001166240725 1312751704 /nfs/dbraw/zinc/75/17/04/1312751704.db2.gz VIGKXJPNULQINR-UHFFFAOYSA-N 0 0 341.302 2.631 10 5 EFBERN O=c1c(F)cc([N+](=O)[O-])cn1Cc1ccc(Br)cc1 ZINC001166399477 1312771258 /nfs/dbraw/zinc/77/12/58/1312771258.db2.gz IOEBPSHZQKXBFV-UHFFFAOYSA-N 0 0 327.109 2.706 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCc2cc(=O)n3c(C)csc3n2)c1 ZINC001166399821 1312771700 /nfs/dbraw/zinc/77/17/00/1312771700.db2.gz SXQSYQQUJWGGMH-UHFFFAOYSA-N 0 0 347.352 2.560 10 5 EFBERN CNc1nccc(C(=O)Nc2nc(-c3ccccc3)co2)c1[N+](=O)[O-] ZINC001183431956 1290346972 /nfs/dbraw/zinc/34/69/72/1290346972.db2.gz AJCJEZPXDGBIHH-UHFFFAOYSA-N 0 0 339.311 2.939 10 5 EFBERN Cn1c(Cl)ncc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001183835691 1290392496 /nfs/dbraw/zinc/39/24/96/1290392496.db2.gz JSXSKNBHTVXVEN-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CO[C@]12CCC[C@@]1(C(=O)N1CCCc3c([N+](=O)[O-])cccc31)CCO2 ZINC000875493292 1290546541 /nfs/dbraw/zinc/54/65/41/1290546541.db2.gz CMIOORGSUQVFQJ-ROUUACIJSA-N 0 0 346.383 2.807 10 5 EFBERN CN(C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)c1ccc([N+](=O)[O-])nc1 ZINC000875657027 1290597009 /nfs/dbraw/zinc/59/70/09/1290597009.db2.gz STNRGMIAOSTQPG-CVEARBPZSA-N 0 0 341.367 2.743 10 5 EFBERN C[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)N1Cc2ccccc2C1=O ZINC000923642877 1290689404 /nfs/dbraw/zinc/68/94/04/1290689404.db2.gz AGIQHVYCGNFSHQ-SNVBAGLBSA-N 0 0 346.364 2.744 10 5 EFBERN CCC(CC)(CNc1cc(F)c([N+](=O)[O-])cc1CO)C(=O)OC ZINC001185889556 1290781429 /nfs/dbraw/zinc/78/14/29/1290781429.db2.gz XOKMYZDQGLNBOV-UHFFFAOYSA-N 0 0 328.340 2.618 10 5 EFBERN Cc1c(CC(=O)N2NC(=O)C[C@]23CCCC[C@H]3C)cccc1[N+](=O)[O-] ZINC001166642254 1312810087 /nfs/dbraw/zinc/81/00/87/1312810087.db2.gz AQXRHUDLPSOBLF-XIKOKIGWSA-N 0 0 345.399 2.658 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)[C@@H]2CCOC2)nc1-c1ccc(F)cc1 ZINC001185979181 1290804003 /nfs/dbraw/zinc/80/40/03/1290804003.db2.gz OVRPBYHUTAXNEU-OCCSQVGLSA-N 0 0 347.346 2.605 10 5 EFBERN O=[N+]([O-])c1cccc(CCNc2ncnc(F)c2Br)c1 ZINC001186003734 1290808603 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10 5 EFBERN CO[C@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC001186493004 1290965288 /nfs/dbraw/zinc/96/52/88/1290965288.db2.gz ZLOSUNJWOAOEPU-BMIGLBTASA-N 0 0 346.343 2.912 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NCc1cccnc1-n1cnc2ccccc21 ZINC001186526289 1290971946 /nfs/dbraw/zinc/97/19/46/1290971946.db2.gz CKBFOADLVKPAKD-UHFFFAOYSA-N 0 0 349.354 2.674 10 5 EFBERN CC(C)N1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1=O ZINC001186621009 1290986621 /nfs/dbraw/zinc/98/66/21/1290986621.db2.gz QYTBROFPCHXQOZ-UHFFFAOYSA-N 0 0 332.187 2.959 10 5 EFBERN CC(C)C[C@H](CNc1nn(C)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001186772438 1291017255 /nfs/dbraw/zinc/01/72/55/1291017255.db2.gz JXQFOEFEGFDKRS-LLVKDONJSA-N 0 0 326.397 2.744 10 5 EFBERN CCc1csc(CC2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)n1 ZINC001186873108 1291030396 /nfs/dbraw/zinc/03/03/96/1291030396.db2.gz TUCQFUSSDIDNPR-UHFFFAOYSA-N 0 0 335.433 2.806 10 5 EFBERN Cn1cc(CNc2cccc(OCC(F)(F)F)c2)c([N+](=O)[O-])n1 ZINC000876844571 1291045206 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ZINC000780075833 1311189482 /nfs/dbraw/zinc/18/94/82/1311189482.db2.gz MUXUZCSCSOMPBF-UHFFFAOYSA-N 0 0 332.243 2.938 10 5 EFBERN COCCOc1c(Cl)cccc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000901975245 1311267517 /nfs/dbraw/zinc/26/75/17/1311267517.db2.gz CRKWBELMVULURX-UHFFFAOYSA-N 0 0 340.767 2.619 10 5 EFBERN Cn1cc(CNc2ccccc2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000902026116 1311332558 /nfs/dbraw/zinc/33/25/58/1311332558.db2.gz JTCZEGHZARXWSK-LLVKDONJSA-N 0 0 330.266 2.536 10 5 EFBERN CCCC[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000802112520 1311358403 /nfs/dbraw/zinc/35/84/03/1311358403.db2.gz KAISJRRRSKIJJB-JTQLQIEISA-N 0 0 329.374 2.734 10 5 EFBERN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC001158837902 1311399017 /nfs/dbraw/zinc/39/90/17/1311399017.db2.gz XVONJNLFEGJWQS-UHFFFAOYSA-N 0 0 339.355 2.596 10 5 EFBERN Cc1c(NCc2cn(C)nc2[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000902092147 1311415471 /nfs/dbraw/zinc/41/54/71/1311415471.db2.gz RVUDFBJDGOZULW-UHFFFAOYSA-N 0 0 326.360 2.743 10 5 EFBERN CCC[C@H](C)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000802186605 1311440562 /nfs/dbraw/zinc/44/05/62/1311440562.db2.gz LGNRPPVCYYMPKE-QWRGUYRKSA-N 0 0 343.401 2.980 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2nc3c(o2)CCCC3)cc1[N+](=O)[O-] ZINC001159189501 1311470549 /nfs/dbraw/zinc/47/05/49/1311470549.db2.gz HXSWVGPSTUXSCY-UHFFFAOYSA-N 0 0 336.735 2.950 10 5 EFBERN Nc1nccc(C(=O)NCc2cc3ccccc3s2)c1[N+](=O)[O-] ZINC001159428357 1311514741 /nfs/dbraw/zinc/51/47/41/1311514741.db2.gz WTDCTOOQCSGVNG-UHFFFAOYSA-N 0 0 328.353 2.717 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OCc2ccccc21 ZINC001159536791 1311535806 /nfs/dbraw/zinc/53/58/06/1311535806.db2.gz YEJHAGJBXXQEAY-INIZCTEOSA-N 0 0 327.340 2.638 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)cc1[N+](=O)[O-] ZINC001159908393 1311607302 /nfs/dbraw/zinc/60/73/02/1311607302.db2.gz IQUJJQPFTHIVQP-CYBMUJFWSA-N 0 0 348.309 2.658 10 5 EFBERN Cc1c(C(=O)NC/C=C/c2cccnc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160089835 1311642168 /nfs/dbraw/zinc/64/21/68/1311642168.db2.gz UVCIJJBAVOCOEW-HWKANZROSA-N 0 0 342.311 2.650 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1nc2ccccc2o1 ZINC001160139579 1311653362 /nfs/dbraw/zinc/65/33/62/1311653362.db2.gz IAOYKISEHPNGSR-UHFFFAOYSA-N 0 0 329.287 2.734 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001160177316 1311660164 /nfs/dbraw/zinc/66/01/64/1311660164.db2.gz VVKOFKFCPIVFAY-QWRGUYRKSA-N 0 0 342.367 2.741 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC001160208781 1311665432 /nfs/dbraw/zinc/66/54/32/1311665432.db2.gz AXGOZKOYHJAHGQ-OAHLLOKOSA-N 0 0 349.774 2.684 10 5 EFBERN CCc1nnc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001160433572 1311708672 /nfs/dbraw/zinc/70/86/72/1311708672.db2.gz LEMLKXQZEZQTFO-UHFFFAOYSA-N 0 0 340.792 2.521 10 5 EFBERN Nc1c(OC[C@@H]2C[C@@]23CCOC3)cc(Br)cc1[N+](=O)[O-] ZINC000902396791 1311709454 /nfs/dbraw/zinc/70/94/54/1311709454.db2.gz KIALPORFWDPUPN-ISVAXAHUSA-N 0 0 343.177 2.745 10 5 EFBERN Nc1c(OC[C@@H]2C[C@]23CCOC3)cc(Br)cc1[N+](=O)[O-] ZINC000902396794 1311709521 /nfs/dbraw/zinc/70/95/21/1311709521.db2.gz KIALPORFWDPUPN-SDBXPKJASA-N 0 0 343.177 2.745 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)nc1NC ZINC001160557917 1311736327 /nfs/dbraw/zinc/73/63/27/1311736327.db2.gz WFSMXPQIACVTFW-UHFFFAOYSA-N 0 0 330.344 2.991 10 5 EFBERN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001160652170 1311752075 /nfs/dbraw/zinc/75/20/75/1311752075.db2.gz NZQRWFLUTQGRFB-AOOOYVTPSA-N 0 0 346.309 2.765 10 5 EFBERN Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)nc1C ZINC001160727230 1311769812 /nfs/dbraw/zinc/76/98/12/1311769812.db2.gz IKMIBLNDGKBAEV-UHFFFAOYSA-N 0 0 338.327 2.644 10 5 EFBERN CSc1cccc(C(=O)NCc2cnc(Cl)cn2)c1[N+](=O)[O-] ZINC001160944079 1311816828 /nfs/dbraw/zinc/81/68/28/1311816828.db2.gz XVKICQDGSVILNA-UHFFFAOYSA-N 0 0 338.776 2.690 10 5 EFBERN CCON(Cc1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC001161093948 1311856307 /nfs/dbraw/zinc/85/63/07/1311856307.db2.gz CUSLKAISXJVGAG-UHFFFAOYSA-N 0 0 330.340 2.954 10 5 EFBERN C[C@]1(CCC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC001161557736 1311915257 /nfs/dbraw/zinc/91/52/57/1311915257.db2.gz ZILFOTOUEDJULC-KRWDZBQOSA-N 0 0 342.355 2.530 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(CCO)c1 ZINC001161620130 1311932990 /nfs/dbraw/zinc/93/29/90/1311932990.db2.gz SPJBRLUCPVUEMC-UHFFFAOYSA-N 0 0 329.356 2.570 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CSc3ccccc3O2)n1 ZINC001277313710 1311970653 /nfs/dbraw/zinc/97/06/53/1311970653.db2.gz DFNWCXHPBROLCY-LBPRGKRZSA-N 0 0 345.380 2.581 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CO)c2ccc(F)cc2)c1 ZINC001161831710 1311983739 /nfs/dbraw/zinc/98/37/39/1311983739.db2.gz VDXOVWJMQBCROH-ZDUSSCGKSA-N 0 0 332.331 2.548 10 5 EFBERN NC(=O)c1cc(NCc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC001161929945 1312006222 /nfs/dbraw/zinc/00/62/22/1312006222.db2.gz VCAIAYDDLWLEKM-UHFFFAOYSA-N 0 0 328.353 2.916 10 5 EFBERN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC001162009933 1312028631 /nfs/dbraw/zinc/02/86/31/1312028631.db2.gz IOKNQTVLFRDRHG-NSHDSACASA-N 0 0 342.334 2.907 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC001162062085 1312040046 /nfs/dbraw/zinc/04/00/46/1312040046.db2.gz KNIBATOJPLJIJK-UHFFFAOYSA-N 0 0 330.388 2.883 10 5 EFBERN Cc1nnc2c(N(C)Cc3cc([N+](=O)[O-])ccc3Cl)nccn12 ZINC001162094714 1312046762 /nfs/dbraw/zinc/04/67/62/1312046762.db2.gz FNHLVEXTRUTAAR-UHFFFAOYSA-N 0 0 332.751 2.631 10 5 EFBERN CO[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)CC(C)C ZINC001162173908 1312062385 /nfs/dbraw/zinc/06/23/85/1312062385.db2.gz UXOBVEFRQBKRCE-AWEZNQCLSA-N 0 0 346.387 2.776 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)n1 ZINC000802861096 1312086154 /nfs/dbraw/zinc/08/61/54/1312086154.db2.gz BPGJNXNVKSYNQB-OKILXGFUSA-N 0 0 345.355 2.716 10 5 EFBERN Cc1c(Cl)cccc1NC(=O)CCNc1c([N+](=O)[O-])cnn1C ZINC001162360668 1312094118 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CN(Cc1nc(-c2ccccc2)c[nH]1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001162741410 1312165081 /nfs/dbraw/zinc/16/50/81/1312165081.db2.gz CUKFAVALFZXBKJ-UHFFFAOYSA-N 0 0 325.328 2.722 10 5 EFBERN O=C(NC[C@H]1CC[C@@H](C(F)(F)F)O1)Nc1ccc([N+](=O)[O-])cc1 ZINC000902873019 1312170005 /nfs/dbraw/zinc/17/00/05/1312170005.db2.gz UCSVZESWBCVRBJ-MNOVXSKESA-N 0 0 333.266 2.826 10 5 EFBERN C[C@H](C[C@@H]1CCOC1)Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001162791371 1312177523 /nfs/dbraw/zinc/17/75/23/1312177523.db2.gz BJSSUMDUFJWUSS-MNOVXSKESA-N 0 0 346.343 2.700 10 5 EFBERN O=C(N[C@H]1CCc2ncsc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001162806105 1312179375 /nfs/dbraw/zinc/17/93/75/1312179375.db2.gz PRIWYTWRSAGWLB-VIFPVBQESA-N 0 0 342.380 2.820 10 5 EFBERN CC[C@H](C)C[C@@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001162874091 1312193896 /nfs/dbraw/zinc/19/38/96/1312193896.db2.gz VESDIQLNVSVWTR-JQWIXIFHSA-N 0 0 328.796 2.704 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCC[C@@H]3OC)c2c1 ZINC001162936587 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Cc1ccc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001164379220 1312504302 /nfs/dbraw/zinc/50/43/02/1312504302.db2.gz GEFVIFUWVBXMTM-UHFFFAOYSA-N 0 0 333.388 2.960 10 5 EFBERN CCn1nc(C)cc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803329569 1312518626 /nfs/dbraw/zinc/51/86/26/1312518626.db2.gz JTXOKBUONHKTSJ-UHFFFAOYSA-N 0 0 325.271 2.755 10 5 EFBERN O=C(OC[C@@H]1Cc2ccccc21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000803335368 1312524940 /nfs/dbraw/zinc/52/49/40/1312524940.db2.gz DBLHMGGADGRVSY-LBPRGKRZSA-N 0 0 341.319 2.863 10 5 EFBERN Cc1ccn2ncc(C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)c2n1 ZINC000803337065 1312525507 /nfs/dbraw/zinc/52/55/07/1312525507.db2.gz NAUNHGULSMISOO-UHFFFAOYSA-N 0 0 348.265 2.581 10 5 EFBERN O=C1c2ccccc2C(=O)N1OCCCOc1cccc([N+](=O)[O-])c1 ZINC001164575338 1312542214 /nfs/dbraw/zinc/54/22/14/1312542214.db2.gz FTVQGOZVKMQNFK-UHFFFAOYSA-N 0 0 342.307 2.592 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@H](O)c1ccc(F)cc1 ZINC001164673484 1312557109 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344.371 2.634 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC001254248526 1315687549 /nfs/dbraw/zinc/68/75/49/1315687549.db2.gz CCUJCFIVQSFUGN-HNNXBMFYSA-N 0 0 335.404 2.644 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](c1ncccn1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC001254951689 1315764338 /nfs/dbraw/zinc/76/43/38/1315764338.db2.gz IOIJRWBLIKYFEX-IAQYHMDHSA-N 0 0 341.371 2.896 10 5 EFBERN C[C@H](CNC(=O)NC[C@@H](O)CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001255905496 1315878919 /nfs/dbraw/zinc/87/89/19/1315878919.db2.gz OQOVSLLNGDFPCG-OLZOCXBDSA-N 0 0 337.420 2.795 10 5 EFBERN CCc1ccc(C(=O)Nc2ccc3c(c2)CCNC3=O)cc1[N+](=O)[O-] ZINC001278905485 1315894262 /nfs/dbraw/zinc/89/42/62/1315894262.db2.gz XHYBEYRRHSUSGH-UHFFFAOYSA-N 0 0 339.351 2.695 10 5 EFBERN COc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC001278933673 1315933069 /nfs/dbraw/zinc/93/30/69/1315933069.db2.gz BMEQOMMUPWTOFC-UHFFFAOYSA-N 0 0 326.312 2.661 10 5 EFBERN Cc1cc(OS(=O)(=O)CCOCC2CCC2)c(F)cc1[N+](=O)[O-] ZINC000827473010 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1321725947 /nfs/dbraw/zinc/72/59/47/1321725947.db2.gz QNCAVECFDYNNKN-LLVKDONJSA-N 0 0 327.340 2.552 10 5 EFBERN CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001288718307 1321744999 /nfs/dbraw/zinc/74/49/99/1321744999.db2.gz SEPQDJPHDDZKGQ-NSHDSACASA-N 0 0 326.349 2.676 10 5 EFBERN Cc1cc(OCC(=O)NCc2noc3ccccc23)ccc1[N+](=O)[O-] ZINC001288723353 1321745776 /nfs/dbraw/zinc/74/57/76/1321745776.db2.gz RURUMAOXCNYLGA-UHFFFAOYSA-N 0 0 341.323 2.740 10 5 EFBERN C[C@@H](NC(=O)CCc1ccccc1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC001288750803 1321752755 /nfs/dbraw/zinc/75/27/55/1321752755.db2.gz ZRINKCBKXLXKFG-GFCCVEGCSA-N 0 0 341.367 2.504 10 5 EFBERN O=C(Nc1ccccc1-n1nccn1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001288783026 1321759089 /nfs/dbraw/zinc/75/90/89/1321759089.db2.gz MBXQHPNCPWZNBZ-CABCVRRESA-N 0 0 349.350 2.918 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2OC[C@H]1F ZINC001288789892 1321760286 /nfs/dbraw/zinc/76/02/86/1321760286.db2.gz YURRVESACIHDJT-SJKOYZFVSA-N 0 0 346.314 2.562 10 5 EFBERN C[C@H](NC(=O)c1csc(-c2ncc[nH]2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001288796165 1321761631 /nfs/dbraw/zinc/76/16/31/1321761631.db2.gz WLYZQLFVPFZRSZ-VIFPVBQESA-N 0 0 343.368 2.932 10 5 EFBERN CCOc1cc(C(=O)OC)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001288941594 1321795317 /nfs/dbraw/zinc/79/53/17/1321795317.db2.gz IFSNHHODQQVMHE-UHFFFAOYSA-N 0 0 334.284 2.625 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC001289054159 1321799085 /nfs/dbraw/zinc/79/90/85/1321799085.db2.gz DHUVSSTXXLJPQX-UHFFFAOYSA-N 0 0 345.330 2.679 10 5 EFBERN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC001289166214 1321801249 /nfs/dbraw/zinc/80/12/49/1321801249.db2.gz OJPWVUCOZFIJGB-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN COC(=O)c1cccc2c1CCN2C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001289253693 1321809038 /nfs/dbraw/zinc/80/90/38/1321809038.db2.gz RHTUIIHFESEAHM-UHFFFAOYSA-N 0 0 340.335 2.893 10 5 EFBERN CSc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001289254920 1321809663 /nfs/dbraw/zinc/80/96/63/1321809663.db2.gz FMSMBXJEDABNBL-UHFFFAOYSA-N 0 0 331.353 2.668 10 5 EFBERN NC(=O)c1cc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC001289257600 1321810019 /nfs/dbraw/zinc/81/00/19/1321810019.db2.gz CBACLHGMMLSPNK-LBPRGKRZSA-N 0 0 345.742 2.626 10 5 EFBERN C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)c1ccccc1[N+](=O)[O-] ZINC001289346421 1321813211 /nfs/dbraw/zinc/81/32/11/1321813211.db2.gz ANIGBWHDBVHFNK-GFCCVEGCSA-N 0 0 341.367 2.848 10 5 EFBERN COc1cccc(F)c1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001289338621 1321813254 /nfs/dbraw/zinc/81/32/54/1321813254.db2.gz AJPKNPXHAWPHIO-UHFFFAOYSA-N 0 0 344.302 2.549 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001289384521 1321814585 /nfs/dbraw/zinc/81/45/85/1321814585.db2.gz JOSVOIYLGHLTQA-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001289717229 1321823714 /nfs/dbraw/zinc/82/37/14/1321823714.db2.gz DTOHEIYFJFAYOF-UHFFFAOYSA-N 0 0 326.308 2.584 10 5 EFBERN CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001289784993 1321827796 /nfs/dbraw/zinc/82/77/96/1321827796.db2.gz KBNYOLJPWVUAMK-UHFFFAOYSA-N 0 0 348.380 2.949 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3cc(F)cc(F)c3C2)n1 ZINC001289888820 1321834200 /nfs/dbraw/zinc/83/42/00/1321834200.db2.gz MTHGJCQPWTWLEP-UHFFFAOYSA-N 0 0 333.294 2.775 10 5 EFBERN Cc1nccnc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001289892007 1321835056 /nfs/dbraw/zinc/83/50/56/1321835056.db2.gz ZAEDDHYFRGUEEU-UHFFFAOYSA-N 0 0 327.344 2.546 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc2c(s1)CCCC2=O ZINC001289904498 1321836079 /nfs/dbraw/zinc/83/60/79/1321836079.db2.gz CYVNCZAATLMGRG-UHFFFAOYSA-N 0 0 349.343 2.891 10 5 EFBERN COc1cc(C(=O)Nc2nc3c(s2)CCCC3=O)ccc1[N+](=O)[O-] ZINC001289904742 1321836182 /nfs/dbraw/zinc/83/61/82/1321836182.db2.gz FSDCSQZKHSZEHG-UHFFFAOYSA-N 0 0 347.352 2.831 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cnc1C ZINC001289941642 1321840800 /nfs/dbraw/zinc/84/08/00/1321840800.db2.gz GRWFBWJPLMOKGF-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(F)(F)F ZINC001289949827 1321843005 /nfs/dbraw/zinc/84/30/05/1321843005.db2.gz VMGYUYRGKCTXQM-GFCCVEGCSA-N 0 0 342.277 2.851 10 5 EFBERN O=Cc1cc(F)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1F ZINC001290274607 1321893727 /nfs/dbraw/zinc/89/37/27/1321893727.db2.gz BGRJKTJNUSGRBK-UHFFFAOYSA-N 0 0 349.293 2.527 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1nc2ccccc2[nH]1 ZINC001290319719 1321897961 /nfs/dbraw/zinc/89/79/61/1321897961.db2.gz YYAIWZNIMRLBKE-UHFFFAOYSA-N 0 0 342.330 2.512 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1Cc1ccccc1 ZINC001290469708 1321915962 /nfs/dbraw/zinc/91/59/62/1321915962.db2.gz TYBYGRIRPOJMJY-LLVKDONJSA-N 0 0 334.763 2.819 10 5 EFBERN O=Cc1cc(F)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC001290586065 1321933451 /nfs/dbraw/zinc/93/34/51/1321933451.db2.gz PAXYPNGYAONZJT-UHFFFAOYSA-N 0 0 332.262 2.888 10 5 EFBERN COc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)sn1 ZINC001290651073 1321939674 /nfs/dbraw/zinc/93/96/74/1321939674.db2.gz NQHCAMPLQDKMFS-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001290705463 1321943615 /nfs/dbraw/zinc/94/36/15/1321943615.db2.gz YYYDTQBZTARUHU-UHFFFAOYSA-N 0 0 339.149 2.747 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]nc1-c1ccco1 ZINC001290711514 1321943620 /nfs/dbraw/zinc/94/36/20/1321943620.db2.gz FXIBPPBRGFUOTH-UHFFFAOYSA-N 0 0 326.312 2.850 10 5 EFBERN Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001290942195 1321972012 /nfs/dbraw/zinc/97/20/12/1321972012.db2.gz HYYJXXMJIFZWQK-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1C ZINC001290972104 1321973439 /nfs/dbraw/zinc/97/34/39/1321973439.db2.gz WLVCSOSLRNQPQF-UHFFFAOYSA-N 0 0 328.328 2.696 10 5 EFBERN C[C@@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C)C1 ZINC001291214949 1321978168 /nfs/dbraw/zinc/97/81/68/1321978168.db2.gz HAAOERRDJUAXFA-JMSVASOKSA-N 0 0 343.387 2.659 10 5 EFBERN CCC(O)(CC)CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307095181 1322017621 /nfs/dbraw/zinc/01/76/21/1322017621.db2.gz VRPYMSKCACWQDF-UHFFFAOYSA-N 0 0 348.359 2.826 10 5 EFBERN COCCOc1ccc(Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001307101851 1322020377 /nfs/dbraw/zinc/02/03/77/1322020377.db2.gz BRKUHTTWUOGHFH-UHFFFAOYSA-N 0 0 348.380 2.870 10 5 EFBERN CCN(CCc1ccccn1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001291929182 1322023744 /nfs/dbraw/zinc/02/37/44/1322023744.db2.gz WOVQZLOXCMLACP-UHFFFAOYSA-N 0 0 348.790 2.930 10 5 EFBERN CO[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC001291971569 1322025900 /nfs/dbraw/zinc/02/59/00/1322025900.db2.gz VZICNINRUSEBQR-OAHLLOKOSA-N 0 0 332.331 2.780 10 5 EFBERN COc1c(Cl)cccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001292069249 1322033466 /nfs/dbraw/zinc/03/34/66/1322033466.db2.gz ZDRBSBZUEZFACB-ZDUSSCGKSA-N 0 0 336.731 2.929 10 5 EFBERN CN(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC001292642065 1322098366 /nfs/dbraw/zinc/09/83/66/1322098366.db2.gz PQSZFUCAFPMBST-UHFFFAOYSA-N 0 0 349.416 2.982 10 5 EFBERN CC(C)C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[NH+](C)C ZINC001292954824 1322159228 /nfs/dbraw/zinc/15/92/28/1322159228.db2.gz FDGXWWWXKDVIAB-NSHDSACASA-N 0 0 343.811 2.660 10 5 EFBERN O=C(NCCCc1cccc(F)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001293054833 1322180278 /nfs/dbraw/zinc/18/02/78/1322180278.db2.gz MMVKCWVCZOIANN-INIZCTEOSA-N 0 0 332.331 2.516 10 5 EFBERN COc1ccc([C@H](C)CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001293443560 1322255117 /nfs/dbraw/zinc/25/51/17/1322255117.db2.gz VWTCDBKYCANXEQ-LLVKDONJSA-N 0 0 344.371 2.504 10 5 EFBERN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001293501355 1322269744 /nfs/dbraw/zinc/26/97/44/1322269744.db2.gz SXOXIVRCLJOAEW-ABAIWWIYSA-N 0 0 335.404 2.748 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001293543632 1322279816 /nfs/dbraw/zinc/27/98/16/1322279816.db2.gz YGLHLGNEVXHOGP-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC(n2ccnc2)C1 ZINC001293568608 1322286102 /nfs/dbraw/zinc/28/61/02/1322286102.db2.gz LFQIBQKUMGCFQX-UHFFFAOYSA-N 0 0 349.350 2.550 10 5 EFBERN O=C(NCCc1cc2ccccc2o1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293718458 1322335570 /nfs/dbraw/zinc/33/55/70/1322335570.db2.gz RUFYFKSJULIKIR-UHFFFAOYSA-N 0 0 334.719 2.690 10 5 EFBERN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC001293936477 1322382865 /nfs/dbraw/zinc/38/28/65/1322382865.db2.gz AFNKRPWMMPIVAZ-RYUDHWBXSA-N 0 0 329.356 2.636 10 5 EFBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001294146771 1322417622 /nfs/dbraw/zinc/41/76/22/1322417622.db2.gz MHHPPOPRSSYNTG-QWHCGFSZSA-N 0 0 348.309 2.508 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1c2ccccc2C[C@H]1O ZINC001294752503 1322555778 /nfs/dbraw/zinc/55/57/78/1322555778.db2.gz VXTXUGDMGUZAHE-WBVHZDCISA-N 0 0 346.770 2.565 10 5 EFBERN O=C(NCc1ccc(O)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001294914116 1322597388 /nfs/dbraw/zinc/59/73/88/1322597388.db2.gz WDACZWSBNJBPJN-UHFFFAOYSA-N 0 0 338.323 2.621 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1F ZINC001294918615 1322597739 /nfs/dbraw/zinc/59/77/39/1322597739.db2.gz ODDFPRRLRXKRDM-JTQLQIEISA-N 0 0 348.330 2.809 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H](CCO)c1ccccc1 ZINC001295001901 1322616795 /nfs/dbraw/zinc/61/67/95/1322616795.db2.gz BQCQJQROYZHGSP-HNNXBMFYSA-N 0 0 332.331 2.516 10 5 EFBERN COc1ccc(C=O)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001295040338 1322623276 /nfs/dbraw/zinc/62/32/76/1322623276.db2.gz ZIZWNXDAMQVNRO-UHFFFAOYSA-N 0 0 348.742 2.999 10 5 EFBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(O)(CC)CC ZINC001295096851 1322633703 /nfs/dbraw/zinc/63/37/03/1322633703.db2.gz KVGSLWYVWDOLIX-UHFFFAOYSA-N 0 0 347.419 2.861 10 5 EFBERN CCN(CCCO)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001295190819 1322649750 /nfs/dbraw/zinc/64/97/50/1322649750.db2.gz RZVRXCFYQQSQSS-UHFFFAOYSA-N 0 0 329.356 2.501 10 5 EFBERN C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001295338221 1322683791 /nfs/dbraw/zinc/68/37/91/1322683791.db2.gz TUYHEBPVUXRGRC-VIFPVBQESA-N 0 0 342.779 2.637 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc2ccc(O)cc21 ZINC001295343031 1322684738 /nfs/dbraw/zinc/68/47/38/1322684738.db2.gz BYYSUZYJDPTTEG-UHFFFAOYSA-N 0 0 326.312 2.597 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001295393163 1322694131 /nfs/dbraw/zinc/69/41/31/1322694131.db2.gz ABMQBNDEDBATAP-OLZOCXBDSA-N 0 0 338.791 2.676 10 5 EFBERN Cc1ccccc1[C@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001295488505 1322710320 /nfs/dbraw/zinc/71/03/20/1322710320.db2.gz FWKVHDDJQVNIPV-HNNXBMFYSA-N 0 0 348.786 2.949 10 5 EFBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001295488356 1322710550 /nfs/dbraw/zinc/71/05/50/1322710550.db2.gz DFBKRQKUTQOJHN-LBPRGKRZSA-N 0 0 338.360 2.876 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Cc2cccnc2)CC1 ZINC001295695615 1322752572 /nfs/dbraw/zinc/75/25/72/1322752572.db2.gz ITZJKJHJXYYESJ-UHFFFAOYSA-N 0 0 340.383 2.667 10 5 EFBERN Cc1cncc(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c1 ZINC001295817907 1322787510 /nfs/dbraw/zinc/78/75/10/1322787510.db2.gz ZAEATKSQEFUQRN-UHFFFAOYSA-N 0 0 336.351 2.964 10 5 EFBERN O=C1[C@@H](c2ccccc2)CCN1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001319996049 1329052543 /nfs/dbraw/zinc/05/25/43/1329052543.db2.gz SHGZJFODJXIXJL-QGZVFWFLSA-N 0 0 337.379 2.931 10 5 EFBERN Nc1ccc(Cl)cc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295988454 1322836567 /nfs/dbraw/zinc/83/65/67/1322836567.db2.gz RONZTXDSTBAMCV-UHFFFAOYSA-N 0 0 331.719 2.959 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH]c(C(=O)N2CCCC2)c1 ZINC001296058842 1322847329 /nfs/dbraw/zinc/84/73/29/1322847329.db2.gz VKOFICOUWRVWHC-UHFFFAOYSA-N 0 0 342.355 2.720 10 5 EFBERN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001296158419 1322860440 /nfs/dbraw/zinc/86/04/40/1322860440.db2.gz SXUNVEZKRPCJTM-WCBMZHEXSA-N 0 0 335.751 2.590 10 5 EFBERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001296158415 1322860480 /nfs/dbraw/zinc/86/04/80/1322860480.db2.gz SXUNVEZKRPCJTM-SCZZXKLOSA-N 0 0 335.751 2.590 10 5 EFBERN C[C@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC001296272899 1322876765 /nfs/dbraw/zinc/87/67/65/1322876765.db2.gz IGEVZSGLICQZRM-CVEARBPZSA-N 0 0 338.791 2.865 10 5 EFBERN C[C@@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC001296272901 1322876847 /nfs/dbraw/zinc/87/68/47/1322876847.db2.gz IGEVZSGLICQZRM-HZPDHXFCSA-N 0 0 338.791 2.865 10 5 EFBERN C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC001296471644 1322926686 /nfs/dbraw/zinc/92/66/86/1322926686.db2.gz STBYLCWYWMKTQF-JTQLQIEISA-N 0 0 348.384 2.655 10 5 EFBERN CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001296718922 1322990004 /nfs/dbraw/zinc/99/00/04/1322990004.db2.gz SPGWYHSISMZWRP-KBPBESRZSA-N 0 0 341.367 2.546 10 5 EFBERN COC[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(C)C ZINC001307215619 1322996320 /nfs/dbraw/zinc/99/63/20/1322996320.db2.gz JTILEBKSZJMGAM-LLVKDONJSA-N 0 0 348.359 2.804 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCN(C2CC2)c2ccccc21 ZINC001296822643 1323021931 /nfs/dbraw/zinc/02/19/31/1323021931.db2.gz IYQHYFDRETVACT-UHFFFAOYSA-N 0 0 347.762 2.601 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cc(F)ccc1O ZINC001296877674 1323044000 /nfs/dbraw/zinc/04/40/00/1323044000.db2.gz UGVMGPSZJYDHSV-UHFFFAOYSA-N 0 0 332.331 2.683 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC001296899311 1323051782 /nfs/dbraw/zinc/05/17/82/1323051782.db2.gz GWXCTXBWLCGPDR-KRWDZBQOSA-N 0 0 329.331 2.888 10 5 EFBERN COC(OC)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001296944022 1323064348 /nfs/dbraw/zinc/06/43/48/1323064348.db2.gz FGVDGWJJWROBGW-OAHLLOKOSA-N 0 0 348.330 2.824 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001297057442 1323079426 /nfs/dbraw/zinc/07/94/26/1323079426.db2.gz MAFUQVPITFRPSU-MRXNPFEDSA-N 0 0 348.786 2.949 10 5 EFBERN CC(C)(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC001297105873 1323089430 /nfs/dbraw/zinc/08/94/30/1323089430.db2.gz LHRAXFHAQWTNPW-UHFFFAOYSA-N 0 0 330.266 2.676 10 5 EFBERN COCc1sccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001297105854 1323089449 /nfs/dbraw/zinc/08/94/49/1323089449.db2.gz JCAFHIIYEWQBSA-UHFFFAOYSA-N 0 0 346.368 2.609 10 5 EFBERN COc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)ccc1Cl ZINC001297157067 1323105391 /nfs/dbraw/zinc/10/53/91/1323105391.db2.gz KXRLCRXATPEJBW-UHFFFAOYSA-N 0 0 331.115 2.886 10 5 EFBERN Cc1c(C(=O)OCc2csc([N+](=O)[O-])c2)cnn1-c1ccncc1 ZINC001320066418 1329068714 /nfs/dbraw/zinc/06/87/14/1329068714.db2.gz CZXGIJSPJDRKEE-UHFFFAOYSA-N 0 0 344.352 2.902 10 5 EFBERN 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O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001299931821 1323713454 /nfs/dbraw/zinc/71/34/54/1323713454.db2.gz HWCAHLHHVOAKNL-UHFFFAOYSA-N 0 0 337.238 2.711 10 5 EFBERN Cc1ccc(CC(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001492323034 1324421255 /nfs/dbraw/zinc/42/12/55/1324421255.db2.gz ZUXZPGZDTQAFTC-UHFFFAOYSA-N 0 0 341.411 2.694 10 5 EFBERN O=C(Nc1nccc2cc[nH]c21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001300954330 1324515194 /nfs/dbraw/zinc/51/51/94/1324515194.db2.gz ICUJRPMVRLWTKC-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN COc1ccc(CC(=O)Nc2nccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC001300954658 1324516351 /nfs/dbraw/zinc/51/63/51/1324516351.db2.gz NKFZXOYGRJGBTG-UHFFFAOYSA-N 0 0 326.312 2.661 10 5 EFBERN Cc1cn2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2n1 ZINC001301353629 1324539282 /nfs/dbraw/zinc/53/92/82/1324539282.db2.gz MXKDJALBJRUNRG-UHFFFAOYSA-N 0 0 325.328 2.602 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnn([C@@H]2CCCCO2)c1 ZINC001301521707 1324547004 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EFBERN COC(=O)c1c(C)c(C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001303298703 1324602147 /nfs/dbraw/zinc/60/21/47/1324602147.db2.gz HZEGEFNPXTZZJY-UHFFFAOYSA-N 0 0 343.339 2.833 10 5 EFBERN Cc1[nH]nc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1-c1cccnc1 ZINC001303456933 1324605796 /nfs/dbraw/zinc/60/57/96/1324605796.db2.gz ZZKUVWCUXVPIDT-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN COC(=O)c1sccc1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001303552197 1324610909 /nfs/dbraw/zinc/61/09/09/1324610909.db2.gz BHYHRJWBOJFFKV-VIFPVBQESA-N 0 0 334.353 2.934 10 5 EFBERN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CCOC2(CCC2)C1 ZINC001303776345 1324620473 /nfs/dbraw/zinc/62/04/73/1324620473.db2.gz XTZVSCKQWYVXKQ-INIZCTEOSA-N 0 0 333.388 2.646 10 5 EFBERN C[S@](=O)(=NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001303908284 1324625948 /nfs/dbraw/zinc/62/59/48/1324625948.db2.gz OBHABBXZIHNNQW-HSZRJFAPSA-N 0 0 333.369 2.690 10 5 EFBERN CCc1nc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001303972797 1324629315 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Cc1ccc(NC(=O)c2ncoc2C(F)(F)F)c(N)c1[N+](=O)[O-] ZINC001304501153 1324652297 /nfs/dbraw/zinc/65/22/97/1324652297.db2.gz PYVXZJPXUJOIND-UHFFFAOYSA-N 0 0 330.222 2.745 10 5 EFBERN Cc1ccc(NC(=O)c2ncc3c(F)cccn32)c(N)c1[N+](=O)[O-] ZINC001304501248 1324652419 /nfs/dbraw/zinc/65/24/19/1324652419.db2.gz SHRFFULVNUVUDS-UHFFFAOYSA-N 0 0 329.291 2.525 10 5 EFBERN CCc1nc2c(nccc2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)[nH]1 ZINC001304499105 1324652478 /nfs/dbraw/zinc/65/24/78/1324652478.db2.gz VJQAJJHSSQWQFB-UHFFFAOYSA-N 0 0 340.343 2.571 10 5 EFBERN COC(=O)/C=C/c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)o1 ZINC001304497734 1324652497 /nfs/dbraw/zinc/65/24/97/1324652497.db2.gz IGPLMABYDCSIRO-VMPITWQZSA-N 0 0 345.311 2.517 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2COc3cc(F)ccc3C2)c(N)c1[N+](=O)[O-] ZINC001304498001 1324652570 /nfs/dbraw/zinc/65/25/70/1324652570.db2.gz KQTGXVQEZAGRCX-LLVKDONJSA-N 0 0 345.330 2.814 10 5 EFBERN COC(=O)Nc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001304499991 1324652679 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332.356 2.537 10 5 EFBERN C[C@H](OC(=O)[C@H]1CCC[C@H](F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001328022745 1330542457 /nfs/dbraw/zinc/54/24/57/1330542457.db2.gz WJZJEMRCEINLGS-SRVKXCTJSA-N 0 0 338.335 2.993 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc2c1COCC2 ZINC001328344651 1330587237 /nfs/dbraw/zinc/58/72/37/1330587237.db2.gz NUGPLHLQGUPEGV-UHFFFAOYSA-N 0 0 326.352 2.640 10 5 EFBERN COc1ccc(CNC(=O)NC2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC001328409447 1330590111 /nfs/dbraw/zinc/59/01/11/1330590111.db2.gz CZPLVOFVXLJKTM-UHFFFAOYSA-N 0 0 341.314 2.590 10 5 EFBERN COCCN(CCF)Cc1ccc([N+](=O)[O-])cc1Br ZINC001328430361 1330591192 /nfs/dbraw/zinc/59/11/92/1330591192.db2.gz ZAMRXYRCFLUFEN-UHFFFAOYSA-N 0 0 335.173 2.775 10 5 EFBERN CO[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(F)cc1 ZINC001328566203 1330602944 /nfs/dbraw/zinc/60/29/44/1330602944.db2.gz YMYDMBSKVXHAII-HNNXBMFYSA-N 0 0 335.335 2.608 10 5 EFBERN COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC001328564922 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C[C@H](OC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001329487604 1330711343 /nfs/dbraw/zinc/71/13/43/1330711343.db2.gz CWDAJLZTQVJPMC-LOWDOPEQSA-N 0 0 332.356 2.901 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)c2occ(C)c2C)c1 ZINC001329614377 1330723407 /nfs/dbraw/zinc/72/34/07/1330723407.db2.gz AGKDDZRSAFGAHY-UHFFFAOYSA-N 0 0 333.296 2.948 10 5 EFBERN CSc1cccc(C(=O)N[C@@H]2CC(C)(C)CC[C@H]2O)c1[N+](=O)[O-] ZINC001329633514 1330725301 /nfs/dbraw/zinc/72/53/01/1330725301.db2.gz HIKGIAIJSODISK-VXGBXAGGSA-N 0 0 338.429 2.986 10 5 EFBERN COc1c(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001329657555 1330726686 /nfs/dbraw/zinc/72/66/86/1330726686.db2.gz WUZYGTQAAFMPMA-IEBDPFPHSA-N 0 0 326.299 2.767 10 5 EFBERN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1C[C@@H](O)C2(CC2)C1 ZINC001329732626 1330731474 /nfs/dbraw/zinc/73/14/74/1330731474.db2.gz LSELNNZQZWUOAH-QGZVFWFLSA-N 0 0 338.363 2.787 10 5 EFBERN C[C@@H](O)C1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001329749574 1330733435 /nfs/dbraw/zinc/73/34/35/1330733435.db2.gz XBSKSEDPBKGSGL-SECBINFHSA-N 0 0 336.779 2.789 10 5 EFBERN Cc1nc(N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC001329771644 1330735314 /nfs/dbraw/zinc/73/53/14/1330735314.db2.gz VANKVOPSFTUDRS-MNOVXSKESA-N 0 0 337.380 2.503 10 5 EFBERN C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H](C)C1=O ZINC001330692334 1330765033 /nfs/dbraw/zinc/76/50/33/1330765033.db2.gz LOUOSKSOHFLNTF-RKDXNWHRSA-N 0 0 334.763 2.853 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CC1(Cl)Cl ZINC001331151427 1330799469 /nfs/dbraw/zinc/79/94/69/1330799469.db2.gz CEHKUVZRXQDGCP-QMMMGPOBSA-N 0 0 332.187 2.950 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001331227842 1330807844 /nfs/dbraw/zinc/80/78/44/1330807844.db2.gz BUURPLTZWAIRFX-MXWKQRLJSA-N 0 0 326.299 2.524 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001331248544 1330809397 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EFBERN C[C@H]1CCCC[C@@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC001333297775 1331109176 /nfs/dbraw/zinc/10/91/76/1331109176.db2.gz HBPMBVMRVJMHIN-WDEREUQCSA-N 0 0 338.385 2.566 10 5 EFBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001334763210 1331303070 /nfs/dbraw/zinc/30/30/70/1331303070.db2.gz GYODGFHKDFCZPB-ZAXAGGATSA-N 0 0 342.754 2.620 10 5 EFBERN C[C@H](Nc1ccc2cnccc2c1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001334906796 1331328796 /nfs/dbraw/zinc/32/87/96/1331328796.db2.gz MOFIILRAAMONEJ-QMMMGPOBSA-N 0 0 342.277 2.622 10 5 EFBERN C[C@@](CO)(NC(=O)C[C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC001335783689 1331401933 /nfs/dbraw/zinc/40/19/33/1331401933.db2.gz LCASYRODBIMNJA-NHYWBVRUSA-N 0 0 342.342 2.744 10 5 EFBERN CC(=O)C1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001335874663 1331413009 /nfs/dbraw/zinc/41/30/09/1331413009.db2.gz WVDXAVGNNOJIFM-UHFFFAOYSA-N 0 0 334.763 2.997 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001336841475 1331507668 /nfs/dbraw/zinc/50/76/68/1331507668.db2.gz GGWCVTOYQLVAQM-LOWVWBTDSA-N 0 0 329.331 2.707 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001337725588 1331595328 /nfs/dbraw/zinc/59/53/28/1331595328.db2.gz ZCPKSSUVAOCFEZ-AEGPPILISA-N 0 0 347.419 2.717 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(Cc3nc4c(s3)CCCC4)no2)nc1 ZINC001337910992 1331613026 /nfs/dbraw/zinc/61/30/26/1331613026.db2.gz DEAGKIRDIWAQMF-UHFFFAOYSA-N 0 0 343.368 2.966 10 5 EFBERN CC(=O)c1c(NCCC(=O)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001338255267 1331679764 /nfs/dbraw/zinc/67/97/64/1331679764.db2.gz DFRNZEKUORLQAH-LBPRGKRZSA-N 0 0 333.388 2.858 10 5 EFBERN COc1c(C(=O)N(C)C[C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC001339185468 1331811911 /nfs/dbraw/zinc/81/19/11/1331811911.db2.gz YKYBOCHGNDUAKO-RHSMWYFYSA-N 0 0 334.372 2.635 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2ccnc(N(C)C)c2C1 ZINC001339953922 1332120058 /nfs/dbraw/zinc/12/00/58/1332120058.db2.gz QEMSYPNVUAZCJS-UHFFFAOYSA-N 0 0 340.383 2.821 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001341002930 1332226091 /nfs/dbraw/zinc/22/60/91/1332226091.db2.gz ADHCIDPOXYMEIP-CABCVRRESA-N 0 0 338.429 2.937 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC001341323636 1332251528 /nfs/dbraw/zinc/25/15/28/1332251528.db2.gz QRNUKVMMYILMNH-MRXNPFEDSA-N 0 0 342.399 2.724 10 5 EFBERN CC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)CC1 ZINC001341330064 1332251878 /nfs/dbraw/zinc/25/18/78/1332251878.db2.gz ATBFFQVLXVNDGO-UHFFFAOYSA-N 0 0 343.387 2.504 10 5 EFBERN Cc1nn(C)c(-c2nnc(-c3cn(C)c4ccccc34)o2)c1[N+](=O)[O-] ZINC001341504573 1332263775 /nfs/dbraw/zinc/26/37/75/1332263775.db2.gz NALSXZHHDVMAQG-UHFFFAOYSA-N 0 0 338.327 2.845 10 5 EFBERN Cc1cncc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1Cl ZINC001341631605 1332272219 /nfs/dbraw/zinc/27/22/19/1332272219.db2.gz KOYRQBNIIOOSOG-UHFFFAOYSA-N 0 0 349.730 2.747 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)c2c1 ZINC001343247725 1332344678 /nfs/dbraw/zinc/34/46/78/1332344678.db2.gz XEBLFSPDVSNYFM-SCRDCRAPSA-N 0 0 341.367 2.577 10 5 EFBERN CN(c1nnc(-c2ccc([N+](=O)[O-])s2)n1C[C@@H]1CCOC1)C1CC1 ZINC001344224416 1332431058 /nfs/dbraw/zinc/43/10/58/1332431058.db2.gz HIUHIPSNWRLKHU-JTQLQIEISA-N 0 0 349.416 2.550 10 5 EFBERN CN(c1nnc(-c2ccc([N+](=O)[O-])s2)n1C[C@H]1CCOC1)C1CC1 ZINC001344224417 1332431139 /nfs/dbraw/zinc/43/11/39/1332431139.db2.gz HIUHIPSNWRLKHU-SNVBAGLBSA-N 0 0 349.416 2.550 10 5 EFBERN CCOC(=O)[C@@H](CC)OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001344384153 1332448463 /nfs/dbraw/zinc/44/84/63/1332448463.db2.gz KMTNEMLYPSMGQB-GFCCVEGCSA-N 0 0 327.358 2.572 10 5 EFBERN CCOc1c(Cl)cc(C(=O)O[C@H](CC)C[N+](=O)[O-])cc1OC ZINC001344402045 1332449482 /nfs/dbraw/zinc/44/94/82/1332449482.db2.gz HJSFTJOSMOUJPW-SNVBAGLBSA-N 0 0 331.752 2.959 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(C(=O)N2CCCCC2)c1 ZINC001344401885 1332449683 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CCOC1(C(=O)Oc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC001345548200 1332547713 /nfs/dbraw/zinc/54/77/13/1332547713.db2.gz ROAKVFILGZHXKB-UHFFFAOYSA-N 0 0 337.328 2.621 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001345602018 1332551899 /nfs/dbraw/zinc/55/18/99/1332551899.db2.gz IDMWBHAEYNXUDJ-CVEARBPZSA-N 0 0 333.388 2.838 10 5 EFBERN COc1ccc2c(c1)O[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])CC2 ZINC001345654536 1332556280 /nfs/dbraw/zinc/55/62/80/1332556280.db2.gz LFUFVDUFGQQBKE-CQSZACIVSA-N 0 0 337.372 2.768 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC001345689825 1332562013 /nfs/dbraw/zinc/56/20/13/1332562013.db2.gz PCHVBGBXVJBQTD-VIFPVBQESA-N 0 0 337.298 2.544 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001345689821 1332562043 /nfs/dbraw/zinc/56/20/43/1332562043.db2.gz PCDOJTMRDYOKDF-AWEZNQCLSA-N 0 0 330.340 2.873 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001345689658 1332562100 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325.388 2.602 10 5 EFBERN CC[C@H](C[N+](=O)[O-])OC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC001346196402 1332609850 /nfs/dbraw/zinc/60/98/50/1332609850.db2.gz DYBOWUGPAYFWGY-CYBMUJFWSA-N 0 0 337.763 2.797 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC23CCCC3)cc1[N+](=O)[O-] ZINC001346383036 1332632616 /nfs/dbraw/zinc/63/26/16/1332632616.db2.gz BIIBNRWFRWDMED-CYBMUJFWSA-N 0 0 345.399 2.626 10 5 EFBERN C[C@@H]([C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1)N(C)C=O ZINC001346399983 1332635420 /nfs/dbraw/zinc/63/54/20/1332635420.db2.gz JGBIDHKHDBCLRW-XJKSGUPXSA-N 0 0 336.388 2.583 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(-c2nnc(N3CCCC3)n2CC2CC2)n1 ZINC001346533724 1332654126 /nfs/dbraw/zinc/65/41/26/1332654126.db2.gz ZKZSYHNSOCHXHU-UHFFFAOYSA-N 0 0 328.376 2.567 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2C[C@@H](OC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001346691770 1332673788 /nfs/dbraw/zinc/67/37/88/1332673788.db2.gz LWPNQYJMNFURSX-LWHRDSLISA-N 0 0 345.351 2.739 10 5 EFBERN CC[C@H](COCC1CC1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001347136546 1332720173 /nfs/dbraw/zinc/72/01/73/1332720173.db2.gz KLKIMUXAAQCTPW-OAHLLOKOSA-N 0 0 333.388 2.825 10 5 EFBERN O=[N+]([O-])c1cn(CN2CCC[C@H](CCF)C2)nc1-c1ccncc1 ZINC001347237017 1332726247 /nfs/dbraw/zinc/72/62/47/1332726247.db2.gz DWCRFNOLEMTVTA-CYBMUJFWSA-N 0 0 333.367 2.882 10 5 EFBERN Cc1cnc2n1CC[C@@H]2OC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001347236936 1332726496 /nfs/dbraw/zinc/72/64/96/1332726496.db2.gz NXPWCXZXGFIEJY-ZNMIVQPWSA-N 0 0 327.340 2.891 10 5 EFBERN C[C@@H]1OCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC001347256723 1332728511 /nfs/dbraw/zinc/72/85/11/1332728511.db2.gz RZWQNDOLESVIHE-CPCISQLKSA-N 0 0 336.241 2.526 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(OCc2cccnc2)cc1 ZINC001347431385 1332744248 /nfs/dbraw/zinc/74/42/48/1332744248.db2.gz YOWSYGJWZSKEQP-HNNXBMFYSA-N 0 0 330.340 2.873 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001347430221 1332744298 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EFBERN COc1cccc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001347834952 1332776369 /nfs/dbraw/zinc/77/63/69/1332776369.db2.gz SUOOIQNITGTIPK-DVVUODLYSA-N 0 0 326.299 2.767 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)NCC2CCC(O)CC2)cc1Cl ZINC001347864935 1332779164 /nfs/dbraw/zinc/77/91/64/1332779164.db2.gz GGXHKTBPSFERKT-UHFFFAOYSA-N 0 0 326.780 2.838 10 5 EFBERN Cn1nc(C2CC2)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001347872357 1332780032 /nfs/dbraw/zinc/78/00/32/1332780032.db2.gz TWTHLULNLWFRPK-UHFFFAOYSA-N 0 0 339.355 2.799 10 5 EFBERN O=C(N[C@H]1CCCc2c(F)cccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347897673 1332782897 /nfs/dbraw/zinc/78/28/97/1332782897.db2.gz OQASMRCWTLNHQU-IRXDYDNUSA-N 0 0 344.342 2.961 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2C[C@@H](OC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001347936522 1332786760 /nfs/dbraw/zinc/78/67/60/1332786760.db2.gz HQEXUGKQSQGQCY-RGCMKSIDSA-N 0 0 347.367 2.956 10 5 EFBERN Cn1cc(N2CC[C@@H](Nc3ccc4cnccc4c3[N+](=O)[O-])C2)cn1 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LBLVNRWLHWBYFA-UHFFFAOYSA-N 0 0 341.327 2.852 10 5 EFBERN CN(CC(F)(F)C(F)(F)F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001353135870 1333955192 /nfs/dbraw/zinc/95/51/92/1333955192.db2.gz IVXWACCLCJKEOA-UHFFFAOYSA-N 0 0 326.221 2.793 10 5 EFBERN Cc1cc(C(F)F)n(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC001353160777 1333976297 /nfs/dbraw/zinc/97/62/97/1333976297.db2.gz DUUQHHLSTLOMAQ-UHFFFAOYSA-N 0 0 336.298 2.627 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(N3CCOC3=O)c2)n1 ZINC001353189819 1333997343 /nfs/dbraw/zinc/99/73/43/1333997343.db2.gz RWNQXKNRQLKSHX-UHFFFAOYSA-N 0 0 342.311 2.507 10 5 EFBERN COc1c(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)cccc1[N+](=O)[O-] ZINC001300254619 1334072880 /nfs/dbraw/zinc/07/28/80/1334072880.db2.gz YCQVBNFLFNUFHC-BONVTDFDSA-N 0 0 348.330 2.594 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn(C)c1Cl ZINC001353877268 1334116821 /nfs/dbraw/zinc/11/68/21/1334116821.db2.gz JRWFEFGIJUJNKP-UHFFFAOYSA-N 0 0 343.170 2.907 10 5 EFBERN COC(=O)[C@]1(C(=O)Oc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC001354145613 1334134963 /nfs/dbraw/zinc/13/49/63/1334134963.db2.gz BLDCPEZCOWESCN-QAPCUYQASA-N 0 0 341.319 2.847 10 5 EFBERN CCc1cc(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)on1 ZINC001354167254 1334144571 /nfs/dbraw/zinc/14/45/71/1334144571.db2.gz UWOAZZYMJUKZTD-UHFFFAOYSA-N 0 0 340.339 2.811 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC001354186988 1334154918 /nfs/dbraw/zinc/15/49/18/1334154918.db2.gz DKGNPZWMVKSDLR-UHFFFAOYSA-N 0 0 342.359 2.669 10 5 EFBERN Cc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])o1)sc(=O)n2C ZINC001300593059 1334264648 /nfs/dbraw/zinc/26/46/48/1334264648.db2.gz IUEPLEQIOAWFRG-UHFFFAOYSA-N 0 0 333.325 2.662 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ncon1 ZINC000848113330 1334314021 /nfs/dbraw/zinc/31/40/21/1334314021.db2.gz IJCHGAGWPSMMAG-RBJHHQRMSA-N 0 0 328.328 2.745 10 5 EFBERN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001354475319 1334321669 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332.400 2.911 10 5 EFBERN Cc1cnc2c(cnn2CC(=O)Oc2cccc([N+](=O)[O-])c2C)c1 ZINC001354883904 1334572603 /nfs/dbraw/zinc/57/26/03/1334572603.db2.gz SXPHAYFEDYPYEA-UHFFFAOYSA-N 0 0 326.312 2.562 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(Sc2nc(CO)cs2)c2ccccc21 ZINC001472889109 1334604751 /nfs/dbraw/zinc/60/47/51/1334604751.db2.gz OLCZXKWFLJIIDE-UHFFFAOYSA-N 0 0 349.393 2.547 10 5 EFBERN CNS(=O)(=O)c1ccc(SCC2CCCC2)c([N+](=O)[O-])c1 ZINC001472901254 1334613744 /nfs/dbraw/zinc/61/37/44/1334613744.db2.gz FHDZBPVMNZULNK-UHFFFAOYSA-N 0 0 330.431 2.785 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1c(C(F)F)nc2cnccn21 ZINC001355024286 1334658420 /nfs/dbraw/zinc/65/84/20/1334658420.db2.gz OZCXFICHPFZPFX-UHFFFAOYSA-N 0 0 347.281 2.505 10 5 EFBERN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000848346673 1334679844 /nfs/dbraw/zinc/67/98/44/1334679844.db2.gz HASVOYPCWCQPQY-QMTHXVAHSA-N 0 0 342.342 2.958 10 5 EFBERN COC(=O)c1ccc(/C=C\C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001355055140 1334681428 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10 5 EFBERN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1noc(C)n1 ZINC001355366897 1334756198 /nfs/dbraw/zinc/75/61/98/1334756198.db2.gz GPYOSROODQVHOQ-GFCCVEGCSA-N 0 0 338.751 2.750 10 5 EFBERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1noc(C)n1 ZINC001355367419 1334756568 /nfs/dbraw/zinc/75/65/68/1334756568.db2.gz KPZMQIZEZCJECU-MJBXVCDLSA-N 0 0 330.344 2.657 10 5 EFBERN CC[C@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000848589019 1334808148 /nfs/dbraw/zinc/80/81/48/1334808148.db2.gz BZXMVKVSZWDBPH-LBPRGKRZSA-N 0 0 344.314 2.594 10 5 EFBERN CC(C)O[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848593230 1334808623 /nfs/dbraw/zinc/80/86/23/1334808623.db2.gz BVXZATMQRGGSNB-CYBMUJFWSA-N 0 0 344.314 2.592 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl ZINC001355535656 1334810753 /nfs/dbraw/zinc/81/07/53/1334810753.db2.gz ARLWGMPGIVOZTH-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN CCn1ccc(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC001355555720 1334815975 /nfs/dbraw/zinc/81/59/75/1334815975.db2.gz ZPYQIYFMFSUOCK-UHFFFAOYSA-N 0 0 325.328 2.541 10 5 EFBERN CCOC(=O)/C(=C\c1cc2n(n1)CCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000848641564 1334822124 /nfs/dbraw/zinc/82/21/24/1334822124.db2.gz IFVPTJIEDNUZCU-GDNBJRDFSA-N 0 0 342.355 2.626 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NC[C@H](O)COc1cccc(F)c1 ZINC000848645767 1334824077 /nfs/dbraw/zinc/82/40/77/1334824077.db2.gz YERDRRQDRCGOSU-LBPRGKRZSA-N 0 0 336.319 2.594 10 5 EFBERN CCOCCOC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC001355604112 1334827430 /nfs/dbraw/zinc/82/74/30/1334827430.db2.gz KOLUIXJFRROZTG-VMPITWQZSA-N 0 0 348.399 2.652 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(Cl)cncc1Cl ZINC001355660051 1334842615 /nfs/dbraw/zinc/84/26/15/1334842615.db2.gz SWMMSBPWCLXFJD-UHFFFAOYSA-N 0 0 327.127 2.674 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c(Cl)cncc2Cl)n1 ZINC001355660040 1334842815 /nfs/dbraw/zinc/84/28/15/1334842815.db2.gz SSYNYUITDJUADK-UHFFFAOYSA-N 0 0 327.127 2.674 10 5 EFBERN Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)co1 ZINC000848692345 1334843971 /nfs/dbraw/zinc/84/39/71/1334843971.db2.gz MEGQFBIMJHCQHJ-UHFFFAOYSA-N 0 0 331.328 2.848 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000848693035 1334844599 /nfs/dbraw/zinc/84/45/99/1334844599.db2.gz ZXZRWSYNUAFJJC-UHFFFAOYSA-N 0 0 347.331 2.550 10 5 EFBERN COc1cccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1OC ZINC001355668766 1334845436 /nfs/dbraw/zinc/84/54/36/1334845436.db2.gz JWRWXXVSOLJBLU-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN Cc1cc(C)c(OC(=O)CCc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 ZINC001355702997 1334852924 /nfs/dbraw/zinc/85/29/24/1334852924.db2.gz XPKKWJHTZVVXSD-UHFFFAOYSA-N 0 0 342.351 2.849 10 5 EFBERN Cc1ccn2c(c1)nnc2NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001355723257 1334857225 /nfs/dbraw/zinc/85/72/25/1334857225.db2.gz VJCRHMGOJGZKHC-UONOGXRCSA-N 0 0 337.339 2.688 10 5 EFBERN CCc1[nH]nc(C(=O)OCCCc2c(F)cccc2F)c1[N+](=O)[O-] ZINC000848746419 1334872191 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O=C1O[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)CN1C1CC1 ZINC000848794486 1334901623 /nfs/dbraw/zinc/90/16/23/1334901623.db2.gz SZZLBAAFKNPYMD-NSHDSACASA-N 0 0 328.328 2.538 10 5 EFBERN Cc1cc(NC[C@@H]2CN(C3CC3)C(=O)O2)c2cccc([N+](=O)[O-])c2n1 ZINC000848793821 1334903057 /nfs/dbraw/zinc/90/30/57/1334903057.db2.gz NIWBAVHWZXLLCD-GFCCVEGCSA-N 0 0 342.355 2.847 10 5 EFBERN O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccc2c(n1)CCCN2 ZINC000848796101 1334904225 /nfs/dbraw/zinc/90/42/25/1334904225.db2.gz XVTUHEOJVQIEHC-UHFFFAOYSA-N 0 0 331.303 2.844 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccnc3ccnn32)cc1Cl ZINC001355933701 1334910034 /nfs/dbraw/zinc/91/00/34/1334910034.db2.gz XIFBQRYTYUDLHU-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN C[C@@H](OC(=O)c1cccc2c1NC(=O)CO2)c1cccc([N+](=O)[O-])c1 ZINC001355950313 1334915937 /nfs/dbraw/zinc/91/59/37/1334915937.db2.gz GRXCHSOHEFTEQY-SNVBAGLBSA-N 0 0 342.307 2.844 10 5 EFBERN COc1cccn2ncc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c12 ZINC001356008465 1334930639 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Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1noc2cc(F)ccc12 ZINC001438783296 1388811993 /nfs/dbraw/zinc/81/19/93/1388811993.db2.gz IWLNXJLDQTZESR-UHFFFAOYSA-N 0 0 330.275 2.509 10 5 EFBERN CC(C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC001438791474 1388816980 /nfs/dbraw/zinc/81/69/80/1388816980.db2.gz VWOMPSWIZPULDU-CYBMUJFWSA-N 0 0 337.332 2.581 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](C)CSC(F)(F)F ZINC001438795825 1388820908 /nfs/dbraw/zinc/82/09/08/1388820908.db2.gz MARUKVUVQLUQIY-LURJTMIESA-N 0 0 339.295 2.826 10 5 EFBERN CCc1cc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc(Cl)n1 ZINC001438799576 1388823191 /nfs/dbraw/zinc/82/31/91/1388823191.db2.gz LNNBFLIZNXCIIC-UHFFFAOYSA-N 0 0 336.735 2.862 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001438801879 1388824549 /nfs/dbraw/zinc/82/45/49/1388824549.db2.gz UNEJNVOLXALCAN-NWANDNLSSA-N 0 0 325.324 2.523 10 5 EFBERN O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001438864700 1388872125 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Cc1cc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC001457706168 1395300409 /nfs/dbraw/zinc/30/04/09/1395300409.db2.gz VNGQFYGVAWEHQQ-UHFFFAOYSA-N 0 0 327.340 2.630 10 5 EFBERN O=C(Nc1cccc(-n2ccnn2)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001457834265 1395352383 /nfs/dbraw/zinc/35/23/83/1395352383.db2.gz YFLGCJNCFCPLSO-IAGOWNOFSA-N 0 0 349.350 2.918 10 5 EFBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@]12CCC[C@H]1OCC2 ZINC001457896591 1395382806 /nfs/dbraw/zinc/38/28/06/1395382806.db2.gz DXFNILHPLOSVQE-PBHICJAKSA-N 0 0 342.355 2.883 10 5 EFBERN CC(C)Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001458061305 1395402738 /nfs/dbraw/zinc/40/27/38/1395402738.db2.gz OJBOSYGSHAFTGS-UHFFFAOYSA-N 0 0 341.415 2.910 10 5 EFBERN CCC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001458140636 1395414511 /nfs/dbraw/zinc/41/45/11/1395414511.db2.gz CYKVXOZDOCZTBE-UHFFFAOYSA-N 0 0 328.328 2.786 10 5 EFBERN CCOC(=O)C1(CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC001458192176 1395422669 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338.323 2.732 10 5 EFBERN COc1cc(C(C)=O)c(OC)cc1OCc1cccnc1[N+](=O)[O-] ZINC001458978553 1395664132 /nfs/dbraw/zinc/66/41/32/1395664132.db2.gz NIZWVSRAKURMLG-UHFFFAOYSA-N 0 0 332.312 2.789 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2ncc(C)cc2[N+](=O)[O-])c1 ZINC001458980879 1395665002 /nfs/dbraw/zinc/66/50/02/1395665002.db2.gz NXUMICADWGNLDC-UHFFFAOYSA-N 0 0 347.283 2.572 10 5 EFBERN COC(=O)c1ccc(OCc2cc(CO)ccc2F)cc1[N+](=O)[O-] ZINC001459024471 1395683224 /nfs/dbraw/zinc/68/32/24/1395683224.db2.gz HTRBSQMARWJFGO-UHFFFAOYSA-N 0 0 335.287 2.592 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1 ZINC001459142379 1395731521 /nfs/dbraw/zinc/73/15/21/1395731521.db2.gz XBLFHQPWKTVBEG-GFCCVEGCSA-N 0 0 348.380 2.537 10 5 EFBERN O=C(COc1cccc(C(F)(F)F)c1[N+](=O)[O-])NCc1ccco1 ZINC001459284631 1395787345 /nfs/dbraw/zinc/78/73/45/1395787345.db2.gz RYTXPHPWRZUYGE-UHFFFAOYSA-N 0 0 344.245 2.902 10 5 EFBERN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1)NCc1cccs1 ZINC001459301401 1395791032 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EFBERN O=C(Nc1cc(F)ccn1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001461414530 1396376565 /nfs/dbraw/zinc/37/65/65/1396376565.db2.gz XLKTXYBKLNGMRC-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN O=C(Nc1cc(F)ccn1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001461411944 1396377570 /nfs/dbraw/zinc/37/75/70/1396377570.db2.gz QETQIMJUKNRQKF-UHFFFAOYSA-N 0 0 327.218 2.983 10 5 EFBERN O=C(COCc1ccccn1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001461447728 1396380368 /nfs/dbraw/zinc/38/03/68/1396380368.db2.gz ALBZMSNBVIDCTO-UHFFFAOYSA-N 0 0 338.323 2.693 10 5 EFBERN CCc1c(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cnn1C ZINC001461452800 1396381347 /nfs/dbraw/zinc/38/13/47/1396381347.db2.gz YPMYGXWXPKDIEO-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2nsc3ccccc32)n1 ZINC001461476771 1396382187 /nfs/dbraw/zinc/38/21/87/1396382187.db2.gz YLBGEMMQOLJOEJ-UHFFFAOYSA-N 0 0 331.357 2.698 10 5 EFBERN Cc1ncc(/C=C\C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001461502453 1396384778 /nfs/dbraw/zinc/38/47/78/1396384778.db2.gz TYKGQTTYIMHNBS-IHWYPQMZSA-N 0 0 335.297 2.887 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)c1nccs1 ZINC001461503556 1396385044 /nfs/dbraw/zinc/38/50/44/1396385044.db2.gz VSOSONRWCHHOBC-UHFFFAOYSA-N 0 0 345.239 2.657 10 5 EFBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(N(C)C)nn1 ZINC001461538813 1396387101 /nfs/dbraw/zinc/38/71/01/1396387101.db2.gz CLSLLHVLNNPZMV-UHFFFAOYSA-N 0 0 335.751 2.665 10 5 EFBERN C[C@H](C(=O)Nc1cnn(C)c1Cl)c1ccc([N+](=O)[O-])cc1F ZINC001461562386 1396390714 /nfs/dbraw/zinc/39/07/14/1396390714.db2.gz DAMONHMOLHLDCX-ZETCQYMHSA-N 0 0 326.715 2.863 10 5 EFBERN COc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH]n1 ZINC001461601291 1396393621 /nfs/dbraw/zinc/39/36/21/1396393621.db2.gz DTLRCIARECUYKV-UHFFFAOYSA-N 0 0 345.340 2.702 10 5 EFBERN O=C(Nc1ccnc(F)c1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001461693626 1396400013 /nfs/dbraw/zinc/40/00/13/1396400013.db2.gz NAPZNRHCCZKWDX-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN O=C(NCCCc1ccco1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001461820180 1396406828 /nfs/dbraw/zinc/40/68/28/1396406828.db2.gz XLTRPJGXVXQMSQ-UHFFFAOYSA-N 0 0 346.339 2.712 10 5 EFBERN Cc1cc2nccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2n1 ZINC001461828376 1396407581 /nfs/dbraw/zinc/40/75/81/1396407581.db2.gz ILHBRULNFSYNNP-UHFFFAOYSA-N 0 0 339.355 2.862 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](N(C)c3ccccc3)C2)n1 ZINC001461851613 1396408220 /nfs/dbraw/zinc/40/82/20/1396408220.db2.gz JBCMBNXRFVVYGU-HNNXBMFYSA-N 0 0 340.383 2.649 10 5 EFBERN COc1cccc(C(=O)Nc2cccc3nsnc32)c1[N+](=O)[O-] ZINC001461964050 1396413885 /nfs/dbraw/zinc/41/38/85/1396413885.db2.gz NGULAADETTWJFQ-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN O=C(OCc1nncs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001462187561 1396426409 /nfs/dbraw/zinc/42/64/09/1396426409.db2.gz RHOSRJPASWTSHE-UHFFFAOYSA-N 0 0 333.247 2.822 10 5 EFBERN C[C@H](C(=O)n1c2ccccc2c(=O)n1C)c1ccc([N+](=O)[O-])cc1F ZINC001462208035 1396426980 /nfs/dbraw/zinc/42/69/80/1396426980.db2.gz JVCRZDNYKYMHPQ-JTQLQIEISA-N 0 0 343.314 2.831 10 5 EFBERN Cc1ccc(CNC(=O)CN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001462251295 1396429676 /nfs/dbraw/zinc/42/96/76/1396429676.db2.gz GVNJUBHGPILNHA-UHFFFAOYSA-N 0 0 325.368 2.582 10 5 EFBERN CCOc1ccc(C(=O)Nc2c(OC)ccnc2OC)cc1[N+](=O)[O-] ZINC001462462873 1396436101 /nfs/dbraw/zinc/43/61/01/1396436101.db2.gz IOMCLHCVNPSPBJ-UHFFFAOYSA-N 0 0 347.327 2.658 10 5 EFBERN O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC001462464885 1396436184 /nfs/dbraw/zinc/43/61/84/1396436184.db2.gz WTHNGWBDGBDUMZ-CYBMUJFWSA-N 0 0 326.312 2.556 10 5 EFBERN Cc1cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cnc1C ZINC001462472308 1396437034 /nfs/dbraw/zinc/43/70/34/1396437034.db2.gz JXGXIQIVHWPZDE-INIZCTEOSA-N 0 0 340.339 2.738 10 5 EFBERN Cc1nc2c(cccc2CCNC(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC001462644079 1396445605 /nfs/dbraw/zinc/44/56/05/1396445605.db2.gz MBFALVRYUNOOLC-UHFFFAOYSA-N 0 0 339.351 2.946 10 5 EFBERN CC(=O)NCc1cccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001462728853 1396450332 /nfs/dbraw/zinc/45/03/32/1396450332.db2.gz BWPDGQPZDYKLOR-GFCCVEGCSA-N 0 0 341.367 2.722 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001462744463 1396451374 /nfs/dbraw/zinc/45/13/74/1396451374.db2.gz GDFWMFGNWSBDFL-VIFPVBQESA-N 0 0 330.300 2.697 10 5 EFBERN Cc1nn(C)c2ncc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC001462744573 1396451466 /nfs/dbraw/zinc/45/14/66/1396451466.db2.gz HGZQJJRMWCMSCH-JTQLQIEISA-N 0 0 339.355 2.676 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)no1 ZINC001462764074 1396452200 /nfs/dbraw/zinc/45/22/00/1396452200.db2.gz MYKFAAMCKNZEIQ-SNVBAGLBSA-N 0 0 336.735 2.569 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC001462767072 1396452996 /nfs/dbraw/zinc/45/29/96/1396452996.db2.gz XJJINHCMMGUPIZ-ONGXEEELSA-N 0 0 348.334 2.545 10 5 EFBERN C[C@@H]1C[C@H](C)CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001462830496 1396454341 /nfs/dbraw/zinc/45/43/41/1396454341.db2.gz WSJCRZCDJBAQJH-CHWSQXEVSA-N 0 0 330.388 2.839 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnc(F)c(Cl)c1 ZINC001463012951 1396466858 /nfs/dbraw/zinc/46/68/58/1396466858.db2.gz JLYBKAWRZAHUFM-UHFFFAOYSA-N 0 0 325.683 2.800 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC001463027781 1396467221 /nfs/dbraw/zinc/46/72/21/1396467221.db2.gz PUAXNCPDBZPKJF-UHFFFAOYSA-N 0 0 337.694 2.739 10 5 EFBERN NC(=O)c1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC001463028828 1396467650 /nfs/dbraw/zinc/46/76/50/1396467650.db2.gz VOWIWMOXDXBYSL-UHFFFAOYSA-N 0 0 337.694 2.739 10 5 EFBERN Cc1noc(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001463082878 1396471832 /nfs/dbraw/zinc/47/18/32/1396471832.db2.gz GRBHGKAVAYRAKA-ZDUSSCGKSA-N 0 0 344.371 2.690 10 5 EFBERN C[C@H](CC(N)=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001463089772 1396471904 /nfs/dbraw/zinc/47/19/04/1396471904.db2.gz RTPNXVOOLVDAJU-LLVKDONJSA-N 0 0 327.340 2.826 10 5 EFBERN CC(C)c1nnc(CCC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001463090391 1396472914 /nfs/dbraw/zinc/47/29/14/1396472914.db2.gz PCOQQDYQQLHRNH-GFCCVEGCSA-N 0 0 346.387 2.954 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCN2C ZINC001463390036 1396488919 /nfs/dbraw/zinc/48/89/19/1396488919.db2.gz KXEIOAZCKIHDMQ-VMPITWQZSA-N 0 0 338.367 2.794 10 5 EFBERN Cc1nc2ccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)cc2s1 ZINC001463592445 1396505599 /nfs/dbraw/zinc/50/55/99/1396505599.db2.gz UVWJZNVSMJYBDH-UHFFFAOYSA-N 0 0 329.341 2.742 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCOc1ccccc1 ZINC001463643164 1396510128 /nfs/dbraw/zinc/51/01/28/1396510128.db2.gz RGSIPBPPWMDQAF-UHFFFAOYSA-N 0 0 334.759 2.986 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001463668533 1396511974 /nfs/dbraw/zinc/51/19/74/1396511974.db2.gz SPLAIOWOGSNSLL-UHFFFAOYSA-N 0 0 327.340 2.984 10 5 EFBERN CNc1c(C(=O)Nc2ccc(C(=O)OC)s2)cccc1[N+](=O)[O-] ZINC001463970675 1396535163 /nfs/dbraw/zinc/53/51/63/1396535163.db2.gz PGSQKDPSJVMUNV-UHFFFAOYSA-N 0 0 335.341 2.737 10 5 EFBERN COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001464044806 1396541178 /nfs/dbraw/zinc/54/11/78/1396541178.db2.gz CUUVYAKADUQDDJ-UHFFFAOYSA-N 0 0 328.324 2.654 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1COc2ccccc2C1 ZINC001464184593 1396554175 /nfs/dbraw/zinc/55/41/75/1396554175.db2.gz MZZLNRXAXHDNBO-ZDUSSCGKSA-N 0 0 346.770 2.911 10 5 EFBERN COc1ccc(CSCC(=O)Nc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC001464291489 1396563685 /nfs/dbraw/zinc/56/36/85/1396563685.db2.gz CWKBPIZLUXIBOV-UHFFFAOYSA-N 0 0 336.373 2.507 10 5 EFBERN CC(C)COc1cccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001464299435 1396564308 /nfs/dbraw/zinc/56/43/08/1396564308.db2.gz OCNPXAWTUYZROH-UHFFFAOYSA-N 0 0 330.344 2.859 10 5 EFBERN COc1ccc(CNC(=O)c2c3c[nH]nc3ccc2C)cc1[N+](=O)[O-] ZINC001464356734 1396567487 /nfs/dbraw/zinc/56/74/87/1396567487.db2.gz IOXGNYNAVAITSP-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN C[C@@H](COc1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001464436091 1396574696 /nfs/dbraw/zinc/57/46/96/1396574696.db2.gz HSAVEBJYDYWNTP-JTQLQIEISA-N 0 0 333.319 2.513 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CCC(n3cccn3)CC2)cc1[N+](=O)[O-] ZINC001464886381 1396627385 /nfs/dbraw/zinc/62/73/85/1396627385.db2.gz ZRWUKGPOYAYOME-UHFFFAOYSA-N 0 0 349.778 2.504 10 5 EFBERN CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001464907388 1396629946 /nfs/dbraw/zinc/62/99/46/1396629946.db2.gz MEOKEMVEHRGYFP-UHFFFAOYSA-N 0 0 344.367 2.773 10 5 EFBERN C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001464991470 1396637647 /nfs/dbraw/zinc/63/76/47/1396637647.db2.gz KDNPGLQRDNUMPH-QMMMGPOBSA-N 0 0 349.416 2.817 10 5 EFBERN O=C(N[C@@H]1CCc2ccc(F)cc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001465003455 1396640391 /nfs/dbraw/zinc/64/03/91/1396640391.db2.gz WPWHQMHRDBOEGE-HZPDHXFCSA-N 0 0 330.315 2.571 10 5 EFBERN Nc1c(C(=O)NCc2cccc(O)c2)cc2ccccc2c1[N+](=O)[O-] ZINC001465164313 1396653710 /nfs/dbraw/zinc/65/37/10/1396653710.db2.gz ZEPUDQFIFMJLFG-UHFFFAOYSA-N 0 0 337.335 2.966 10 5 EFBERN CC1(C)[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC001465322338 1396669777 /nfs/dbraw/zinc/66/97/77/1396669777.db2.gz CNCFYJRHICRIOJ-KMUNFCNLSA-N 0 0 338.791 2.720 10 5 EFBERN O=C(NCCn1cccc1)c1c(Br)cccc1[N+](=O)[O-] ZINC001465467176 1396684150 /nfs/dbraw/zinc/68/41/50/1396684150.db2.gz HDQKZJWQCZVTOK-UHFFFAOYSA-N 0 0 338.161 2.589 10 5 EFBERN CCc1n[nH]c(C(=O)NCc2ccccc2OC(C)(C)C)c1[N+](=O)[O-] ZINC001465470671 1396685617 /nfs/dbraw/zinc/68/56/17/1396685617.db2.gz JFQPDOZVRYJUDF-UHFFFAOYSA-N 0 0 346.387 2.988 10 5 EFBERN CNc1nccc(C(=O)NCc2cccc(Cl)c2F)c1[N+](=O)[O-] ZINC001465498598 1396686420 /nfs/dbraw/zinc/68/64/20/1396686420.db2.gz FFPBJXHHRSZPJY-UHFFFAOYSA-N 0 0 338.726 2.754 10 5 EFBERN COc1cc(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc([N+](=O)[O-])c1C ZINC001465523390 1396687560 /nfs/dbraw/zinc/68/75/60/1396687560.db2.gz UWMJNUHIKLZMNF-WDEREUQCSA-N 0 0 326.299 2.639 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC001465762732 1396709096 /nfs/dbraw/zinc/70/90/96/1396709096.db2.gz ZMCOKQXVMYCXCT-YGRLFVJLSA-N 0 0 336.319 2.877 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2ccccc2F)c1C ZINC001465775544 1396710492 /nfs/dbraw/zinc/71/04/92/1396710492.db2.gz HACKPQRXDZDPJJ-HNNXBMFYSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC001466078007 1396736065 /nfs/dbraw/zinc/73/60/65/1396736065.db2.gz OJUMBLAVMIUGFU-JTQLQIEISA-N 0 0 330.344 2.585 10 5 EFBERN COc1ccc(NC(=O)c2n[nH]cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001466329727 1396748871 /nfs/dbraw/zinc/74/88/71/1396748871.db2.gz WGIFXRPWYIXGBM-UHFFFAOYSA-N 0 0 330.222 2.598 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccnc1NC(C)=O ZINC001466326300 1396749342 /nfs/dbraw/zinc/74/93/42/1396749342.db2.gz OEYMQYNIOTXUSB-UHFFFAOYSA-N 0 0 346.368 2.922 10 5 EFBERN CCc1nc2c(nccc2C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC001466329173 1396749534 /nfs/dbraw/zinc/74/95/34/1396749534.db2.gz KMYDNZYKCWKBIY-UHFFFAOYSA-N 0 0 341.327 2.689 10 5 EFBERN COc1cc(C(=O)N(CCO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001466468168 1396754250 /nfs/dbraw/zinc/75/42/50/1396754250.db2.gz HDVCRZGAGMPHFB-CYBMUJFWSA-N 0 0 344.367 2.799 10 5 EFBERN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(-c2ccccc2)n1 ZINC001466499264 1396757564 /nfs/dbraw/zinc/75/75/64/1396757564.db2.gz DTPZGULVJWDYFK-UHFFFAOYSA-N 0 0 337.339 2.830 10 5 EFBERN O=C(c1ccnc2[nH]cnc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001466565466 1396762695 /nfs/dbraw/zinc/76/26/95/1396762695.db2.gz DKXGBYVEYMJGLQ-UHFFFAOYSA-N 0 0 337.339 2.671 10 5 EFBERN O=C(C1=C[S@@](=O)CCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001466565717 1396762962 /nfs/dbraw/zinc/76/29/62/1396762962.db2.gz KCHQPBRMYNGTHM-QHCPKHFHSA-N 0 0 334.397 2.512 10 5 EFBERN CCOc1ccc(C(=O)Nc2nc3cccnc3n2C)cc1[N+](=O)[O-] ZINC001466717316 1396776493 /nfs/dbraw/zinc/77/64/93/1396776493.db2.gz WYZRAWPCZRJRFT-UHFFFAOYSA-N 0 0 341.327 2.528 10 5 EFBERN CNc1ccc(C(=O)NC[Si](C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001466763278 1396782488 /nfs/dbraw/zinc/78/24/88/1396782488.db2.gz FEYJTGKMXMTZAO-UHFFFAOYSA-N 0 0 343.459 2.521 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC001466879395 1396793901 /nfs/dbraw/zinc/79/39/01/1396793901.db2.gz HUAOPFKFFYHEIU-LLVKDONJSA-N 0 0 344.392 2.920 10 5 EFBERN CC1(C)CCC[C@](O)(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001466903211 1396794913 /nfs/dbraw/zinc/79/49/13/1396794913.db2.gz MKPQHWAKISMXQQ-GOSISDBHSA-N 0 0 348.399 2.516 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1Cc2cccnc2C1 ZINC001467395083 1396850676 /nfs/dbraw/zinc/85/06/76/1396850676.db2.gz FHLIOIUPSHUDRD-UHFFFAOYSA-N 0 0 348.156 2.908 10 5 EFBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(C)c(OC)c1 ZINC001467403347 1396851291 /nfs/dbraw/zinc/85/12/91/1396851291.db2.gz APSVZPOXFKXBPI-UHFFFAOYSA-N 0 0 331.328 2.755 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc3c(n2)CCCC3)n1 ZINC001467559811 1396870890 /nfs/dbraw/zinc/87/08/90/1396870890.db2.gz SYOGPJYNVQKFPY-UHFFFAOYSA-N 0 0 326.356 2.502 10 5 EFBERN CSc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001467622049 1396877775 /nfs/dbraw/zinc/87/77/75/1396877775.db2.gz MSGOOEJLFHGYBL-UHFFFAOYSA-N 0 0 331.397 2.871 10 5 EFBERN COC(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)o1 ZINC001467684020 1396884775 /nfs/dbraw/zinc/88/47/75/1396884775.db2.gz NMRRLUGSCDQWIX-UHFFFAOYSA-N 0 0 338.703 2.558 10 5 EFBERN CCO[C@H]1[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC001467698218 1396886771 /nfs/dbraw/zinc/88/67/71/1396886771.db2.gz NVNANPSHQHQALW-ZEGGKSINSA-N 0 0 346.305 2.901 10 5 EFBERN Nc1c(C(=O)NCc2ncccc2F)cc2ccccc2c1[N+](=O)[O-] ZINC001467754476 1396892706 /nfs/dbraw/zinc/89/27/06/1396892706.db2.gz HYPSPIOTGUGVSS-UHFFFAOYSA-N 0 0 340.314 2.794 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC001467815612 1396901542 /nfs/dbraw/zinc/90/15/42/1396901542.db2.gz ZEDGIEPGLAJSMB-UHFFFAOYSA-N 0 0 341.342 2.987 10 5 EFBERN CN(C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC001468144760 1396928633 /nfs/dbraw/zinc/92/86/33/1396928633.db2.gz JZSVSVUXNLAIGY-UHFFFAOYSA-N 0 0 343.343 2.523 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1cnccn1 ZINC001468236471 1396935985 /nfs/dbraw/zinc/93/59/85/1396935985.db2.gz WSOSWSMRINRPAR-LLVKDONJSA-N 0 0 329.360 2.947 10 5 EFBERN CC(C)(C(=O)Nc1cccc2n[nH]nc21)c1ccc([N+](=O)[O-])cc1 ZINC001468249112 1396937142 /nfs/dbraw/zinc/93/71/42/1396937142.db2.gz FMWWZLDTZQUSOM-UHFFFAOYSA-N 0 0 325.328 2.782 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc2[nH]cnc2c1 ZINC001468255803 1396938633 /nfs/dbraw/zinc/93/86/33/1396938633.db2.gz FBFPLQZDTSSRIL-UHFFFAOYSA-N 0 0 349.350 2.811 10 5 EFBERN O=C(NCc1ccc2[nH]cnc2c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001468255639 1396939410 /nfs/dbraw/zinc/93/94/10/1396939410.db2.gz CHRBKFOSJXGCME-UHFFFAOYSA-N 0 0 346.293 2.879 10 5 EFBERN O=C(NCc1ccc2[nH]cnc2c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001468259288 1396940111 /nfs/dbraw/zinc/94/01/11/1396940111.db2.gz ZZOVTURAHRZRLT-UHFFFAOYSA-N 0 0 335.323 2.882 10 5 EFBERN CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001468497830 1396962673 /nfs/dbraw/zinc/96/26/73/1396962673.db2.gz GKRDLDZCRDELIS-UHFFFAOYSA-N 0 0 344.371 2.970 10 5 EFBERN Cc1cc(OCC(=O)NCc2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC001468555245 1396967139 /nfs/dbraw/zinc/96/71/39/1396967139.db2.gz PIHVUCLFGCVQKH-UHFFFAOYSA-N 0 0 341.323 2.740 10 5 EFBERN COc1cc(C(=O)N[C@H](C)[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC001468686518 1396979604 /nfs/dbraw/zinc/97/96/04/1396979604.db2.gz NVOYYHUSIJGZEU-QLJPJBMISA-N 0 0 348.330 2.594 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001469264952 1397016822 /nfs/dbraw/zinc/01/68/22/1397016822.db2.gz PBYZBKUOQKEBFN-RDJZCZTQSA-N 0 0 348.305 2.866 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC(F)F)nc1 ZINC001469378863 1397027231 /nfs/dbraw/zinc/02/72/31/1397027231.db2.gz GSXAGWJAUTYBRA-UHFFFAOYSA-N 0 0 338.270 2.885 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC001469375570 1397027249 /nfs/dbraw/zinc/02/72/49/1397027249.db2.gz ABINAUFZVXPIOF-OAHLLOKOSA-N 0 0 341.323 2.877 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2nccnc2cc1F ZINC001469378438 1397027295 /nfs/dbraw/zinc/02/72/95/1397027295.db2.gz BFBPGCPOBZWQJX-UHFFFAOYSA-N 0 0 341.302 2.971 10 5 EFBERN O=C(NC1(c2ccccc2F)CCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001469396857 1397029455 /nfs/dbraw/zinc/02/94/55/1397029455.db2.gz OCPCMRLXNNKKJF-UHFFFAOYSA-N 0 0 338.726 2.920 10 5 EFBERN CC[C@@H](NC(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cccc([N+](=O)[O-])c1 ZINC001469433142 1397032332 /nfs/dbraw/zinc/03/23/32/1397032332.db2.gz WUABBMDPXALCSE-BBKQSLKASA-N 0 0 345.399 2.769 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1c2ccccc2C[C@@H]1CO ZINC001469984612 1397063743 /nfs/dbraw/zinc/06/37/43/1397063743.db2.gz VQSHNLIFVLQRQK-CQSZACIVSA-N 0 0 332.743 2.812 10 5 EFBERN O=C(N[C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC001470163088 1397077957 /nfs/dbraw/zinc/07/79/57/1397077957.db2.gz PZTFQDSISNOESL-CYBMUJFWSA-N 0 0 330.275 2.569 10 5 EFBERN O=C(N[C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC001470163091 1397077979 /nfs/dbraw/zinc/07/79/79/1397077979.db2.gz PZTFQDSISNOESL-ZDUSSCGKSA-N 0 0 330.275 2.569 10 5 EFBERN Nc1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC001470187678 1397079981 /nfs/dbraw/zinc/07/99/81/1397079981.db2.gz OZESKFWKUUDSAO-UHFFFAOYSA-N 0 0 341.154 2.809 10 5 EFBERN Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc12 ZINC001470299067 1397085008 /nfs/dbraw/zinc/08/50/08/1397085008.db2.gz XRVKTHSQCCBVBF-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN Nc1ccc(C(=O)NCc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001470357894 1397088684 /nfs/dbraw/zinc/08/86/84/1397088684.db2.gz WEUXCHQIOSWXCV-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN O=C(NCCCc1ccco1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001470495726 1397094435 /nfs/dbraw/zinc/09/44/35/1397094435.db2.gz YGGHSLFHLLZVIM-UHFFFAOYSA-N 0 0 341.323 2.804 10 5 EFBERN COc1cncc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1 ZINC001470552508 1397098184 /nfs/dbraw/zinc/09/81/84/1397098184.db2.gz QECYKTLJLYMIJY-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC001470631280 1397104329 /nfs/dbraw/zinc/10/43/29/1397104329.db2.gz JDTMUPJWBDVNCT-UHFFFAOYSA-N 0 0 333.369 2.642 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)c1cccc(F)c1F ZINC001470798451 1397122774 /nfs/dbraw/zinc/12/27/74/1397122774.db2.gz UQDSSLNSDVBHLZ-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN COc1ccc(CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC001470989168 1397132266 /nfs/dbraw/zinc/13/22/66/1397132266.db2.gz UZCUCXZRGDLLKP-LBPRGKRZSA-N 0 0 344.371 2.601 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001471014019 1397133784 /nfs/dbraw/zinc/13/37/84/1397133784.db2.gz YJOLZPFTSJWZKN-CQSZACIVSA-N 0 0 345.742 2.541 10 5 EFBERN Nc1c(C(=O)NCC(=O)C2CCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001471100977 1397140495 /nfs/dbraw/zinc/14/04/95/1397140495.db2.gz AHCYIYVXRCGTGY-UHFFFAOYSA-N 0 0 341.367 2.819 10 5 EFBERN COc1cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1C ZINC001471123449 1397143410 /nfs/dbraw/zinc/14/34/10/1397143410.db2.gz QWHAVUAGVXDCHP-GOSISDBHSA-N 0 0 344.367 2.549 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cc(O)ccc1C ZINC001471127608 1397143718 /nfs/dbraw/zinc/14/37/18/1397143718.db2.gz QRIKQDDRDNQNGJ-UHFFFAOYSA-N 0 0 347.302 2.959 10 5 EFBERN C[C@H](NC(=O)NCc1ccc(CCO)cc1)c1ccccc1[N+](=O)[O-] ZINC001471237474 1397152686 /nfs/dbraw/zinc/15/26/86/1397152686.db2.gz CPACFUXQOTWRAM-ZDUSSCGKSA-N 0 0 343.383 2.690 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC001471238948 1397153082 /nfs/dbraw/zinc/15/30/82/1397153082.db2.gz HDVQBMNUUSGSHU-ZYHUDNBSSA-N 0 0 345.359 2.546 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001471243304 1397153941 /nfs/dbraw/zinc/15/39/41/1397153941.db2.gz XAPWBMRGKFDCQP-PWSUYJOCSA-N 0 0 329.360 2.815 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NC2(CO)CCCCCCC2)c1[N+](=O)[O-] ZINC001471263840 1397155064 /nfs/dbraw/zinc/15/50/64/1397155064.db2.gz ZRAHGUMGLSNFBS-UHFFFAOYSA-N 0 0 338.408 2.647 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](c1ncccn1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471321745 1397159627 /nfs/dbraw/zinc/15/96/27/1397159627.db2.gz NQKLKFJALWKZNZ-IAQYHMDHSA-N 0 0 341.371 2.896 10 5 EFBERN Nc1c(C(=O)Nc2cncc(C(F)F)c2)cc(F)cc1[N+](=O)[O-] ZINC001471324358 1397160748 /nfs/dbraw/zinc/16/07/48/1397160748.db2.gz PAXVPUSYGLJOFV-UHFFFAOYSA-N 0 0 326.234 2.901 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001471328324 1397160769 /nfs/dbraw/zinc/16/07/69/1397160769.db2.gz RLYDORJOHKRZHI-NWDGAFQWSA-N 0 0 339.392 2.743 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC001471458797 1397173818 /nfs/dbraw/zinc/17/38/18/1397173818.db2.gz JFSKCMLSFMZZPF-UHFFFAOYSA-N 0 0 342.351 2.833 10 5 EFBERN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC001471486884 1397176206 /nfs/dbraw/zinc/17/62/06/1397176206.db2.gz RPLHOZALLLNECD-VIFPVBQESA-N 0 0 347.749 2.565 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001471714598 1397200277 /nfs/dbraw/zinc/20/02/77/1397200277.db2.gz MDSXODBGJAUMPJ-CYBMUJFWSA-N 0 0 343.387 2.763 10 5 EFBERN O=C(NCc1nc2cnccc2s1)c1cc(F)ccc1[N+](=O)[O-] ZINC001471795952 1397208953 /nfs/dbraw/zinc/20/89/53/1397208953.db2.gz VDTMDTHJBUEGNV-UHFFFAOYSA-N 0 0 332.316 2.669 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC=CCC1 ZINC001471817378 1397211091 /nfs/dbraw/zinc/21/10/91/1397211091.db2.gz AYMNHTQKFDQXFL-LBPRGKRZSA-N 0 0 328.372 2.876 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471819199 1397211243 /nfs/dbraw/zinc/21/12/43/1397211243.db2.gz QHSXFUYFXXZQIN-VZZFWQQMSA-N 0 0 342.399 2.812 10 5 EFBERN C[C@@H]1Cc2n[nH]cc2CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001471819045 1397211425 /nfs/dbraw/zinc/21/14/25/1397211425.db2.gz SHHRJEBTOIFQAR-XFBWCDHKSA-N 0 0 340.383 2.642 10 5 EFBERN C[C@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC001471831961 1397212622 /nfs/dbraw/zinc/21/26/22/1397212622.db2.gz WZNZELRSOYGGME-MNOVXSKESA-N 0 0 328.372 2.934 10 5 EFBERN O=C(Nc1nc2c(s1)CCc1sccc1-2)c1cc([N+](=O)[O-])n[nH]1 ZINC001471956527 1397226267 /nfs/dbraw/zinc/22/62/67/1397226267.db2.gz GJUCBGJUCFGTCQ-UHFFFAOYSA-N 0 0 347.381 2.854 10 5 EFBERN CCc1ccc(C(=O)N2CCC[C@@H](c3ncon3)C2)cc1[N+](=O)[O-] ZINC001471966883 1397227519 /nfs/dbraw/zinc/22/75/19/1397227519.db2.gz IGIXWFYCZRUZLW-CYBMUJFWSA-N 0 0 330.344 2.560 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N=S1(=O)CCCC1 ZINC001471986224 1397231576 /nfs/dbraw/zinc/23/15/76/1397231576.db2.gz CWZZGCJRYICIDT-UHFFFAOYSA-N 0 0 325.390 2.575 10 5 EFBERN CCOC(=O)c1n[nH]c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC001472095573 1397246418 /nfs/dbraw/zinc/24/64/18/1397246418.db2.gz SEMRWBHTEIQGKL-UHFFFAOYSA-N 0 0 346.343 2.672 10 5 EFBERN COc1nscc1CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001472098645 1397248055 /nfs/dbraw/zinc/24/80/55/1397248055.db2.gz JVUIOOBSBYILOP-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN COCC(=O)Nc1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001472640568 1397264926 /nfs/dbraw/zinc/26/49/26/1397264926.db2.gz LUGCMNXOWJABSO-UHFFFAOYSA-N 0 0 349.318 2.555 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](C)C(=O)OC(C)C)c2c1 ZINC001472711479 1397267576 /nfs/dbraw/zinc/26/75/76/1397267576.db2.gz APEOGNBKBCEGDO-NSHDSACASA-N 0 0 347.371 2.573 10 5 EFBERN COC(=O)c1cc(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])cn1C ZINC001472725544 1397267778 /nfs/dbraw/zinc/26/77/78/1397267778.db2.gz HMDYSPSOFYDUHT-UHFFFAOYSA-N 0 0 344.302 2.573 10 5 EFBERN CCOC(=O)c1cc(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])cn1C ZINC001472725766 1397268193 /nfs/dbraw/zinc/26/81/93/1397268193.db2.gz NCNGUSQELLZFJU-UHFFFAOYSA-N 0 0 349.343 2.871 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@@H]1CCc2n[nH]cc2C1 ZINC001472734778 1397268895 /nfs/dbraw/zinc/26/88/95/1397268895.db2.gz BFNBCVJVDPRSNY-LLVKDONJSA-N 0 0 343.774 2.911 10 5 EFBERN CC(C)Oc1nc(N(C)CCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001472730808 1397269106 /nfs/dbraw/zinc/26/91/06/1397269106.db2.gz LGPVIHAGOOQUNR-UHFFFAOYSA-N 0 0 339.392 2.945 10 5 EFBERN O=[N+]([O-])c1ccc(/C=C/n2cc(Br)c([N+](=O)[O-])n2)o1 ZINC001472980731 1397275902 /nfs/dbraw/zinc/27/59/02/1397275902.db2.gz LIYPPMZWBFOWRT-ONEGZZNKSA-N 0 0 329.066 2.683 10 5 EFBERN O=c1c([N+](=O)[O-])cccn1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001472986899 1397276376 /nfs/dbraw/zinc/27/63/76/1397276376.db2.gz IYVDETGJYLLGLP-GFCCVEGCSA-N 0 0 329.139 2.797 10 5 EFBERN Cn1cc(COc2cc(F)cc([N+](=O)[O-])c2)c(Br)n1 ZINC001473008581 1397277230 /nfs/dbraw/zinc/27/72/30/1397277230.db2.gz FAHNGGVCIPPPJC-UHFFFAOYSA-N 0 0 330.113 2.809 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CCc2cccc3c2OC(F)(F)O3)c1=O ZINC001473007399 1397277255 /nfs/dbraw/zinc/27/72/55/1397277255.db2.gz LKTFKAXEGIZPPK-UHFFFAOYSA-N 0 0 338.266 2.629 10 5 EFBERN Cc1nn(CCc2nc3ccccc3n2C)c2ncc([N+](=O)[O-])cc12 ZINC001472996112 1397277298 /nfs/dbraw/zinc/27/72/98/1397277298.db2.gz MLROTWIRCLZYNK-UHFFFAOYSA-N 0 0 336.355 2.777 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1csc(Cl)n1 ZINC001473007742 1397277393 /nfs/dbraw/zinc/27/73/93/1397277393.db2.gz SFSLAMLSDUSWHZ-UHFFFAOYSA-N 0 0 338.732 2.570 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1nc(-c2ccccc2)no1 ZINC001473027607 1397278478 /nfs/dbraw/zinc/27/84/78/1397278478.db2.gz YGQJLFANXLKAHP-UHFFFAOYSA-N 0 0 338.279 2.601 10 5 EFBERN Cc1ccc2c(c1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)S2(=O)=O ZINC001473071690 1397280481 /nfs/dbraw/zinc/28/04/81/1397280481.db2.gz IWDLAWUCBHONBS-UHFFFAOYSA-N 0 0 347.352 2.640 10 5 EFBERN O=C(Cn1ncc([N+](=O)[O-])n1)Nc1cccc(Oc2ccccc2)c1 ZINC001473074732 1397281041 /nfs/dbraw/zinc/28/10/41/1397281041.db2.gz DFIDRUANKJRMOV-UHFFFAOYSA-N 0 0 339.311 2.617 10 5 EFBERN CCCc1nc(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)no1 ZINC001473091890 1397281897 /nfs/dbraw/zinc/28/18/97/1397281897.db2.gz LTTIRFSBFFOGKE-UHFFFAOYSA-N 0 0 348.750 2.891 10 5 EFBERN Cn1ccnc1C(=O)COc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001473091635 1397282076 /nfs/dbraw/zinc/28/20/76/1397282076.db2.gz CXULCLDERLZIMI-UHFFFAOYSA-N 0 0 330.127 2.897 10 5 EFBERN CO[C@H](C)c1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001546195733 1397287575 /nfs/dbraw/zinc/28/75/75/1397287575.db2.gz NQUHBVDJYOYZIS-BZNIZROVSA-N 0 0 330.340 2.974 10 5 EFBERN CO[C@@H](C)c1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001546195736 1397287635 /nfs/dbraw/zinc/28/76/35/1397287635.db2.gz NQUHBVDJYOYZIS-MEDUHNTESA-N 0 0 330.340 2.974 10 5 EFBERN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccns1 ZINC001473630378 1397316691 /nfs/dbraw/zinc/31/66/91/1397316691.db2.gz RNEICUQJAPFVHD-UHFFFAOYSA-N 0 0 340.792 2.775 10 5 EFBERN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC001473647695 1397317752 /nfs/dbraw/zinc/31/77/52/1397317752.db2.gz OZDSJPFZAKVXFP-INIZCTEOSA-N 0 0 348.330 2.746 10 5 EFBERN O=C(CCN1CCC[C@@H]1c1ncccn1)Nc1ccccc1[N+](=O)[O-] ZINC001473659949 1397319668 /nfs/dbraw/zinc/31/96/68/1397319668.db2.gz LXZIQPIKMJBAFL-OAHLLOKOSA-N 0 0 341.371 2.551 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCc4nccnc4C3)co2)cc1 ZINC001473679375 1397320330 /nfs/dbraw/zinc/32/03/30/1397320330.db2.gz RYNUXZCUAVBTLL-UHFFFAOYSA-N 0 0 337.339 2.598 10 5 EFBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](O)CC(C)(C)C1 ZINC001473722157 1397324809 /nfs/dbraw/zinc/32/48/09/1397324809.db2.gz LPDZVJKMMAFHAU-BXUZGUMPSA-N 0 0 346.387 2.799 10 5 EFBERN CC(C)(C)OC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2C[C@H]21 ZINC001473856004 1397339841 /nfs/dbraw/zinc/33/98/41/1397339841.db2.gz WRSXSVHKTWASOQ-LSDHHAIUSA-N 0 0 333.388 2.788 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC001479122394 1397610184 /nfs/dbraw/zinc/61/01/84/1397610184.db2.gz QAIVUTBNMIDHCR-DOTOQJQBSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1ccc(CNC(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC001479122412 1397610625 /nfs/dbraw/zinc/61/06/25/1397610625.db2.gz QIWYNOQDWGSNMD-HNNXBMFYSA-N 0 0 337.420 2.746 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@]2(O)CCCC2(C)C)cc1[N+](=O)[O-] ZINC001479122427 1397610795 /nfs/dbraw/zinc/61/07/95/1397610795.db2.gz QOHQNYQRGCBJGJ-QGZVFWFLSA-N 0 0 335.404 2.644 10 5 EFBERN CCNc1cc(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001479296645 1397669864 /nfs/dbraw/zinc/66/98/64/1397669864.db2.gz HLFSENCPZPTUOT-GFCCVEGCSA-N 0 0 343.387 2.982 10 5 EFBERN COC(=O)CCCCCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001479298111 1397670879 /nfs/dbraw/zinc/67/08/79/1397670879.db2.gz YBDWXQPHYYWYNV-GFCCVEGCSA-N 0 0 337.376 2.688 10 5 EFBERN C[C@H](NC(=O)NC[C@H](O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001479307507 1397675472 /nfs/dbraw/zinc/67/54/72/1397675472.db2.gz ZEYHHAJTXJXGTD-ZBEGNZNMSA-N 0 0 347.346 2.828 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001479445761 1397726867 /nfs/dbraw/zinc/72/68/67/1397726867.db2.gz ITHFXQFPOXGNKT-KCQAQPDRSA-N 0 0 337.420 2.795 10 5 EFBERN C[C@@H](CNC(=O)NCC(O)(C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC001479443974 1397727011 /nfs/dbraw/zinc/72/70/11/1397727011.db2.gz CRDRTRUOCOCOTM-LBPRGKRZSA-N 0 0 347.415 2.549 10 5 EFBERN CN(CCCNC(=O)C1(C(F)F)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001479771968 1397834958 /nfs/dbraw/zinc/83/49/58/1397834958.db2.gz JYVRXOKZOVKRIQ-UHFFFAOYSA-N 0 0 347.387 2.640 10 5 EFBERN O=C(N[C@@H]1CC(=O)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001546230621 1398212309 /nfs/dbraw/zinc/21/23/09/1398212309.db2.gz YKMAYCRLGJAZIN-CQSZACIVSA-N 0 0 341.279 2.561 10 5 EFBERN Cc1cccc(F)c1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001546240662 1399333055 /nfs/dbraw/zinc/33/30/55/1399333055.db2.gz ARKVHNUMLSMGBR-UHFFFAOYSA-N 0 0 332.287 2.872 10 5 EFBERN O=C(CCc1ccccc1)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001494487928 1399346286 /nfs/dbraw/zinc/34/62/86/1399346286.db2.gz ZEVUCNKMSAKWOP-UHFFFAOYSA-N 0 0 339.395 2.528 10 5 EFBERN CCC(=CC(=O)NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1)CC ZINC001494542794 1399372145 /nfs/dbraw/zinc/37/21/45/1399372145.db2.gz VIRXNDQPJUFFIW-UHFFFAOYSA-N 0 0 331.416 2.889 10 5 EFBERN CN(CCN(C)C(=O)/C=C/c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001496654076 1400901770 /nfs/dbraw/zinc/90/17/70/1400901770.db2.gz ZYUGVZULZKCJLL-CMDGGOBGSA-N 0 0 343.383 2.791 10 5 EFBERN CN(CCN(C)C(=O)/C=C\c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001496654078 1400901950 /nfs/dbraw/zinc/90/19/50/1400901950.db2.gz ZYUGVZULZKCJLL-HJWRWDBZSA-N 0 0 343.383 2.791 10 5 EFBERN CCc1occc1C(=O)NC/C=C/CNCc1csc([N+](=O)[O-])c1 ZINC001497567152 1401462065 /nfs/dbraw/zinc/46/20/65/1401462065.db2.gz ASFRZCAGOOLDHB-ONEGZZNKSA-N 0 0 349.412 2.888 10 5 EFBERN O=C(CCCF)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001508211873 1407349227 /nfs/dbraw/zinc/34/92/27/1407349227.db2.gz HNBPOOZXZHCNEZ-UHFFFAOYSA-N 0 0 335.379 2.593 10 5 EFBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)OC ZINC001501859261 1403833932 /nfs/dbraw/zinc/83/39/32/1403833932.db2.gz ZRKVUFGEAAIGFO-LBPRGKRZSA-N 0 0 333.392 2.734 10 5 EFBERN CN(CCCN(C)C(=O)C(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001502152857 1404051903 /nfs/dbraw/zinc/05/19/03/1404051903.db2.gz XIBOZSMWLWPXNZ-UHFFFAOYSA-N 0 0 335.376 2.592 10 5 EFBERN CCOCCn1c(C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001503203531 1404474366 /nfs/dbraw/zinc/47/43/66/1404474366.db2.gz ZWHZXEOEBCMGNG-UHFFFAOYSA-N 0 0 347.419 2.946 10 5 EFBERN CC[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1nc2ccccc2[nH]1 ZINC001546293176 1404532605 /nfs/dbraw/zinc/53/26/05/1404532605.db2.gz ZJYAYYBSJWGTRO-SSDOTTSWSA-N 0 0 348.750 2.729 10 5 EFBERN C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@H](C)O1 ZINC001512413699 1413422923 /nfs/dbraw/zinc/42/29/23/1413422923.db2.gz XRMGQDJVQLPDHF-RYUDHWBXSA-N 0 0 343.387 2.802 10 5 EFBERN CCCC(=O)N(C)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001566605705 1413701075 /nfs/dbraw/zinc/70/10/75/1413701075.db2.gz ZZVAGTHANRNNAG-UHFFFAOYSA-N 0 0 325.434 2.879 10 5 EFBERN CS[C@@H](C)Cn1c(C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001555831379 1415045731 /nfs/dbraw/zinc/04/57/31/1415045731.db2.gz DPUMZTSRVQLEAO-LBPRGKRZSA-N 0 0 349.460 2.925 10 5 EFBERN CSCCCn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001555930390 1415048055 /nfs/dbraw/zinc/04/80/55/1415048055.db2.gz QDQAFNWQLJPZCU-UHFFFAOYSA-N 0 0 349.460 2.927 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1cccc([N+](=O)[O-])c1 ZINC001556066415 1415050987 /nfs/dbraw/zinc/05/09/87/1415050987.db2.gz LEWSEEHCQHRQIK-UHFFFAOYSA-N 0 0 347.302 2.544 10 5 EFBERN Cc1c(F)ccc(N)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001556084481 1415052535 /nfs/dbraw/zinc/05/25/35/1415052535.db2.gz PRJOCOUFADPULR-UHFFFAOYSA-N 0 0 329.291 2.753 10 5 EFBERN CC[C@H]1Cc2ccccc2CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001556111149 1415053845 /nfs/dbraw/zinc/05/38/45/1415053845.db2.gz OOTQFTZMGJJGFV-AWEZNQCLSA-N 0 0 326.356 2.549 10 5 EFBERN Cn1ccc2cccc(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)c21 ZINC001556213939 1415059552 /nfs/dbraw/zinc/05/95/52/1415059552.db2.gz TZVMTRLSEUIFND-INIZCTEOSA-N 0 0 325.324 2.759 10 5 EFBERN CC(C)(C)CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC001556391947 1415067123 /nfs/dbraw/zinc/06/71/23/1415067123.db2.gz ZUPYJEOCWSBERA-NSHDSACASA-N 0 0 341.795 2.658 10 5 EFBERN CC(C)(C)[C@@H](CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001556398164 1415067131 /nfs/dbraw/zinc/06/71/31/1415067131.db2.gz SGSGMOMVRKBYAK-CQSZACIVSA-N 0 0 343.383 2.794 10 5 EFBERN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1nccn1C ZINC001556426399 1415068363 /nfs/dbraw/zinc/06/83/63/1415068363.db2.gz LKISKMCPJJXCJQ-UHFFFAOYSA-N 0 0 337.339 2.667 10 5 EFBERN O=C(C=C1CCCC1)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001556429367 1415069077 /nfs/dbraw/zinc/06/90/77/1415069077.db2.gz FKHPCWNAPUAKIV-UHFFFAOYSA-N 0 0 341.371 2.567 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC001556447707 1415069951 /nfs/dbraw/zinc/06/99/51/1415069951.db2.gz URPWQXNDNIJHEN-SNVBAGLBSA-N 0 0 348.334 2.912 10 5 EFBERN Cc1ccc([C@H]2CCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)c(C)c1 ZINC001556489286 1415072766 /nfs/dbraw/zinc/07/27/66/1415072766.db2.gz DBCMCYNYEZJZPF-ZDUSSCGKSA-N 0 0 340.383 2.819 10 5 EFBERN C[C@@]12CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)C[C@@H]1C2(Cl)Cl ZINC001556576038 1415076792 /nfs/dbraw/zinc/07/67/92/1415076792.db2.gz JPFQABHOZUIUIP-WCQYABFASA-N 0 0 344.198 2.833 10 5 EFBERN COc1nccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3N)ccc21 ZINC001556686734 1415082106 /nfs/dbraw/zinc/08/21/06/1415082106.db2.gz YDDMKNLAUHRJSY-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001556743189 1415085841 /nfs/dbraw/zinc/08/58/41/1415085841.db2.gz BGKMJILYZWMYLO-NSHDSACASA-N 0 0 329.331 2.946 10 5 EFBERN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nccc(N)n1 ZINC001556760502 1415087009 /nfs/dbraw/zinc/08/70/09/1415087009.db2.gz SYHHJEPGCFTWOY-QMMMGPOBSA-N 0 0 343.368 2.673 10 5 EFBERN CC(C)(NC(=O)c1ccc(Cl)nc1N)c1ccccc1[N+](=O)[O-] ZINC001556798801 1415089439 /nfs/dbraw/zinc/08/94/39/1415089439.db2.gz MFEPXCAMSICFTH-UHFFFAOYSA-N 0 0 334.763 2.891 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NC/C=C/c1cccnc1 ZINC001556826154 1415090155 /nfs/dbraw/zinc/09/01/55/1415090155.db2.gz CMZAACZBYZCETP-DUXPYHPUSA-N 0 0 329.381 2.912 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)(C)COC(C)=O ZINC001556878851 1415093636 /nfs/dbraw/zinc/09/36/36/1415093636.db2.gz UEEUFESZORNASJ-UHFFFAOYSA-N 0 0 338.360 2.911 10 5 EFBERN Cc1nc(-c2ccnc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)c2)n[nH]1 ZINC001556925117 1415095738 /nfs/dbraw/zinc/09/57/38/1415095738.db2.gz UDLAVBHGXSVNRQ-UHFFFAOYSA-N 0 0 338.327 2.644 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1(C)C ZINC001556992948 1415100198 /nfs/dbraw/zinc/10/01/98/1415100198.db2.gz QUXLWNKXNOSSIQ-JGVFFNPUSA-N 0 0 344.799 2.683 10 5 EFBERN O=C(Nc1cccc(CCO)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001556999344 1415100758 /nfs/dbraw/zinc/10/07/58/1415100758.db2.gz ICPUVTPSNNAHHO-UHFFFAOYSA-N 0 0 325.324 2.863 10 5 EFBERN CC[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC001557036899 1415101862 /nfs/dbraw/zinc/10/18/62/1415101862.db2.gz PMXBYWRMAYJMCL-WFASDCNBSA-N 0 0 328.796 2.702 10 5 EFBERN CC[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC001557036897 1415102433 /nfs/dbraw/zinc/10/24/33/1415102433.db2.gz PMXBYWRMAYJMCL-IUODEOHRSA-N 0 0 328.796 2.702 10 5 EFBERN COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC001557099793 1415104797 /nfs/dbraw/zinc/10/47/97/1415104797.db2.gz YZJIYSSTHCXHMB-UHFFFAOYSA-N 0 0 338.316 2.512 10 5 EFBERN O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001557129300 1415106779 /nfs/dbraw/zinc/10/67/79/1415106779.db2.gz WELTUJQZLCDOKI-HOCLYGCPSA-N 0 0 345.286 2.870 10 5 EFBERN O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001557129221 1415107067 /nfs/dbraw/zinc/10/70/67/1415107067.db2.gz VBHJLQUOIIEQRT-RHSMWYFYSA-N 0 0 340.314 2.838 10 5 EFBERN Cc1ccc(C(=O)N[C@H](CCO)c2ccccc2F)cc1[N+](=O)[O-] ZINC001557175139 1415109974 /nfs/dbraw/zinc/10/99/74/1415109974.db2.gz XRTIFRRINFXKIM-OAHLLOKOSA-N 0 0 332.331 2.896 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1cccc(C=O)c1 ZINC001557174586 1415109985 /nfs/dbraw/zinc/10/99/85/1415109985.db2.gz UXDNNUBQUGPYHS-UHFFFAOYSA-N 0 0 343.339 2.857 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(OC)cc1 ZINC001557172997 1415110083 /nfs/dbraw/zinc/11/00/83/1415110083.db2.gz NCDVKZAKDTVNFD-UHFFFAOYSA-N 0 0 331.328 2.663 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC001557170957 1415110122 /nfs/dbraw/zinc/11/01/22/1415110122.db2.gz FEJMNYMMDUWAJK-CYBMUJFWSA-N 0 0 325.324 2.945 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(COC)c1 ZINC001557170762 1415110312 /nfs/dbraw/zinc/11/03/12/1415110312.db2.gz DVNXTEDITYHLBF-UHFFFAOYSA-N 0 0 329.356 2.964 10 5 EFBERN O=C(Cc1ccc2c(c1)CCO2)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001557205653 1415112446 /nfs/dbraw/zinc/11/24/46/1415112446.db2.gz MFXOUGQHTLVERE-UHFFFAOYSA-N 0 0 348.305 2.667 10 5 EFBERN Cc1cc(F)cc(C(=O)N2Cc3ccccc3NC(=O)C2)c1[N+](=O)[O-] ZINC001557210000 1415112750 /nfs/dbraw/zinc/11/27/50/1415112750.db2.gz YAUMMICAUIZZBA-UHFFFAOYSA-N 0 0 343.314 2.637 10 5 EFBERN Cn1cnc2cc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)ccc21 ZINC001557208997 1415112919 /nfs/dbraw/zinc/11/29/19/1415112919.db2.gz YRALDRHASNDYRK-UHFFFAOYSA-N 0 0 346.293 2.690 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC001557208131 1415113030 /nfs/dbraw/zinc/11/30/30/1415113030.db2.gz ILKZMJKETFBQAF-LBPRGKRZSA-N 0 0 344.346 2.731 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC2(CCCCC2)O1 ZINC001557299162 1415118845 /nfs/dbraw/zinc/11/88/45/1415118845.db2.gz MIHGDPHXCWGSQW-GFCCVEGCSA-N 0 0 333.388 2.741 10 5 EFBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1CC2CCC1CC2 ZINC001557324615 1415120753 /nfs/dbraw/zinc/12/07/53/1415120753.db2.gz UUPZJMUMHTWSGX-NFTFJBJSSA-N 0 0 326.784 2.916 10 5 EFBERN COc1cc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC001557344065 1415121700 /nfs/dbraw/zinc/12/17/00/1415121700.db2.gz GVDKCGFCPOGMBR-QFYYESIMSA-N 0 0 348.330 2.594 10 5 EFBERN O=C(NN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001557395522 1415123761 /nfs/dbraw/zinc/12/37/61/1415123761.db2.gz SEWZSOCEQPBOJJ-UHFFFAOYSA-N 0 0 331.759 2.951 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc2c(cc[nH]c2=O)c1 ZINC001557420664 1415124844 /nfs/dbraw/zinc/12/48/44/1415124844.db2.gz CPCXNPFKMKGXJS-UHFFFAOYSA-N 0 0 341.298 2.757 10 5 EFBERN C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557485414 1415127857 /nfs/dbraw/zinc/12/78/57/1415127857.db2.gz FVQXMGLONMZGQS-QLJPJBMISA-N 0 0 335.335 2.560 10 5 EFBERN O=C(c1nccn2ccnc12)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001557581781 1415132911 /nfs/dbraw/zinc/13/29/11/1415132911.db2.gz XLRJIHIHWSCMJV-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nnc3ccc(Cl)cn32)c1 ZINC001557594864 1415133840 /nfs/dbraw/zinc/13/38/40/1415133840.db2.gz SYTIVYVSTMQLNB-UHFFFAOYSA-N 0 0 345.746 2.529 10 5 EFBERN Cc1cccc2c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)CO2 ZINC001557621043 1415134316 /nfs/dbraw/zinc/13/43/16/1415134316.db2.gz ZJCUPAPKINQSDC-LLVKDONJSA-N 0 0 330.315 2.776 10 5 EFBERN Nc1ncc(C(=O)NC2(c3ccc(F)cc3)CCC2)cc1[N+](=O)[O-] ZINC001557641435 1415135789 /nfs/dbraw/zinc/13/57/89/1415135789.db2.gz DBVIYONWFUVMIZ-UHFFFAOYSA-N 0 0 330.319 2.520 10 5 EFBERN COc1ccccc1-c1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)on1 ZINC001557666917 1415137154 /nfs/dbraw/zinc/13/71/54/1415137154.db2.gz ITWMWGYFNHANQI-UHFFFAOYSA-N 0 0 343.295 2.781 10 5 EFBERN CN=[S@](C)(=O)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC001557675120 1415137241 /nfs/dbraw/zinc/13/72/41/1415137241.db2.gz CSOLLRNSJRBWKP-XMMPIXPASA-N 0 0 341.436 2.845 10 5 EFBERN COc1cncc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC001557688790 1415137709 /nfs/dbraw/zinc/13/77/09/1415137709.db2.gz JZWOIMNNNJMUEN-UHFFFAOYSA-N 0 0 333.369 2.650 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001557842157 1415147690 /nfs/dbraw/zinc/14/76/90/1415147690.db2.gz RYXAHELTDGLHPZ-GFCCVEGCSA-N 0 0 349.350 2.767 10 5 EFBERN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001558090250 1415159322 /nfs/dbraw/zinc/15/93/22/1415159322.db2.gz WQXHFBPCFAMHTD-VIFPVBQESA-N 0 0 347.749 2.565 10 5 EFBERN O=C(NCc1nc2c(cccc2F)[nH]1)c1cc([N+](=O)[O-])ccc1F ZINC001558091900 1415159619 /nfs/dbraw/zinc/15/96/19/1415159619.db2.gz QUJOTJJTAUZERX-UHFFFAOYSA-N 0 0 332.266 2.679 10 5 EFBERN CCCOc1ccnc(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001558212536 1415166106 /nfs/dbraw/zinc/16/61/06/1415166106.db2.gz SUMUPCHQYDKXKL-GFCCVEGCSA-N 0 0 344.371 2.594 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2nc[nH]c(=O)c21 ZINC001558286658 1415169952 /nfs/dbraw/zinc/16/99/52/1415169952.db2.gz UPOLRNWCQOXIKM-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN CNc1c(C(=O)NCc2nc3cnccc3s2)cccc1[N+](=O)[O-] ZINC001558297235 1415171279 /nfs/dbraw/zinc/17/12/79/1415171279.db2.gz WJWYIOGOEIDCDO-UHFFFAOYSA-N 0 0 343.368 2.571 10 5 EFBERN Cc1[nH]nc2ncc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC001558303814 1415171386 /nfs/dbraw/zinc/17/13/86/1415171386.db2.gz WSTJCXZRSXBKFP-SECBINFHSA-N 0 0 325.328 2.666 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)C1(c2ccncc2)CC2(CCC2)C1 ZINC001558336926 1415174718 /nfs/dbraw/zinc/17/47/18/1415174718.db2.gz SJFNSYNBXVIJGK-UHFFFAOYSA-N 0 0 327.344 2.554 10 5 EFBERN Cc1cc(CO)cc(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001558433370 1415179200 /nfs/dbraw/zinc/17/92/00/1415179200.db2.gz UVIFLEYCVRRVOG-UHFFFAOYSA-N 0 0 332.331 2.773 10 5 EFBERN C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(F)c1 ZINC001558432694 1415179349 /nfs/dbraw/zinc/17/93/49/1415179349.db2.gz JFXQRCAYRDBDER-MRXNPFEDSA-N 0 0 336.294 2.511 10 5 EFBERN CON(Cc1ccc(C)o1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001558437107 1415179377 /nfs/dbraw/zinc/17/93/77/1415179377.db2.gz MXIHTUXTKUYMTG-UHFFFAOYSA-N 0 0 334.328 2.774 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](c2ncccn2)C1 ZINC001558524556 1415185852 /nfs/dbraw/zinc/18/58/52/1415185852.db2.gz HDHJTPGBEUKCLO-GFCCVEGCSA-N 0 0 346.774 2.597 10 5 EFBERN COc1nscc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001558566330 1415189818 /nfs/dbraw/zinc/18/98/18/1415189818.db2.gz VITMJAWKUVBYIQ-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])o1)c1cc2c(s1)CCCC2 ZINC001558628407 1415192685 /nfs/dbraw/zinc/19/26/85/1415192685.db2.gz GPCCLNWGEPKXPQ-UHFFFAOYSA-N 0 0 334.353 2.741 10 5 EFBERN Cc1ccc(NC(=O)c2n[nH]c3c2CCCCC3)c(N)c1[N+](=O)[O-] ZINC001558676454 1415194184 /nfs/dbraw/zinc/19/41/84/1415194184.db2.gz BGJZYSBHCPSQTK-UHFFFAOYSA-N 0 0 329.360 2.730 10 5 EFBERN Cc1ccc(NC(=O)c2sc3ncccc3c2N)c(N)c1[N+](=O)[O-] ZINC001558676921 1415194794 /nfs/dbraw/zinc/19/47/94/1415194794.db2.gz WFPJAGMPZHFIGY-UHFFFAOYSA-N 0 0 343.368 2.930 10 5 EFBERN Cc1ccc(NC(=O)C[C@@](C)(O)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001558676675 1415194799 /nfs/dbraw/zinc/19/47/99/1415194799.db2.gz LKOSJFJHLXCRRO-QGZVFWFLSA-N 0 0 329.356 2.722 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc(CCO)cc1 ZINC001558724488 1415197916 /nfs/dbraw/zinc/19/79/16/1415197916.db2.gz RLBJVPJMHQTGRL-UHFFFAOYSA-N 0 0 332.331 2.507 10 5 EFBERN O=C(N[C@H]1Cc2ccc(Cl)cc2C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558735133 1415198052 /nfs/dbraw/zinc/19/80/52/1415198052.db2.gz ANCJJBKCOTXEQE-GOEBONIOSA-N 0 0 346.770 2.565 10 5 EFBERN O=C(NCC(F)(F)C1(O)CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC001558761078 1415199615 /nfs/dbraw/zinc/19/96/15/1415199615.db2.gz BVZLLROEVUCRST-UHFFFAOYSA-N 0 0 334.344 2.717 10 5 EFBERN O=C(Nc1cncc(C(F)(F)F)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558821592 1415204022 /nfs/dbraw/zinc/20/40/22/1415204022.db2.gz DNXPIIBMRJTUDT-GFCCVEGCSA-N 0 0 341.245 2.681 10 5 EFBERN CN(C)c1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001558904402 1415210104 /nfs/dbraw/zinc/21/01/04/1415210104.db2.gz XGGRZIBWRAGCID-UHFFFAOYSA-N 0 0 342.355 2.657 10 5 EFBERN Cc1nn(C)c(C(=O)Nc2ccc(-c3ccon3)cc2)c1[N+](=O)[O-] ZINC001559038035 1415221027 /nfs/dbraw/zinc/22/10/27/1415221027.db2.gz TZUPVVVPKZYVCD-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN COc1ccc(Cl)cc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559087609 1415223462 /nfs/dbraw/zinc/22/34/62/1415223462.db2.gz UJMFLCIOYQYMFM-UHFFFAOYSA-N 0 0 335.747 2.968 10 5 EFBERN CCN1CCc2ccc(Nc3nccc(C(=O)OC)c3[N+](=O)[O-])cc21 ZINC001559095213 1415223803 /nfs/dbraw/zinc/22/38/03/1415223803.db2.gz SHRQHMSBYNNXDH-UHFFFAOYSA-N 0 0 342.355 2.902 10 5 EFBERN Cc1cccn2cc(CCNc3cc(F)c([N+](=O)[O-])cc3CO)nc12 ZINC001559124694 1415225921 /nfs/dbraw/zinc/22/59/21/1415225921.db2.gz VWGDRAMUPJVWDW-UHFFFAOYSA-N 0 0 344.346 2.837 10 5 EFBERN COC(=O)c1cnc(NCCc2ccc(C(C)=O)cc2)c([N+](=O)[O-])c1 ZINC001559143493 1415226501 /nfs/dbraw/zinc/22/65/01/1415226501.db2.gz ZNILTFGYXVVEOM-UHFFFAOYSA-N 0 0 343.339 2.634 10 5 EFBERN CCC(CC)(CC)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001559137706 1415226731 /nfs/dbraw/zinc/22/67/31/1415226731.db2.gz JZIDNALVNPUTNA-UHFFFAOYSA-N 0 0 337.424 2.850 10 5 EFBERN C[C@H]1c2c(F)cccc2CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559161982 1415227247 /nfs/dbraw/zinc/22/72/47/1415227247.db2.gz SHKKCJDHUDMOIM-JTQLQIEISA-N 0 0 329.331 2.957 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCc1ccncc1OCc1ccccc1 ZINC001559187606 1415228563 /nfs/dbraw/zinc/22/85/63/1415228563.db2.gz WCLHOMRGZAYSHH-UHFFFAOYSA-N 0 0 339.355 2.914 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CCCC[C@H]3O)c2c1 ZINC001559192375 1415228917 /nfs/dbraw/zinc/22/89/17/1415228917.db2.gz UDVWLWZNRRTCCW-MEDUHNTESA-N 0 0 331.372 2.537 10 5 EFBERN CC(C)N1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1=O ZINC001559203872 1415229247 /nfs/dbraw/zinc/22/92/47/1415229247.db2.gz JLVVTCJUODYXOX-UHFFFAOYSA-N 0 0 348.790 2.853 10 5 EFBERN CNC(=O)c1ccc(NCc2cc(F)cnc2Cl)c([N+](=O)[O-])c1 ZINC001559202483 1415229279 /nfs/dbraw/zinc/22/92/79/1415229279.db2.gz JRZOQYFDVWDQFN-UHFFFAOYSA-N 0 0 338.726 2.754 10 5 EFBERN COC(=O)c1ccnc(NCc2cc(F)cnc2Cl)c1[N+](=O)[O-] ZINC001559202622 1415229359 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COC(=O)/C=C/c1ccc(NCc2cnc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001559207335 1415230448 /nfs/dbraw/zinc/23/04/48/1415230448.db2.gz KRLXHSRUMVWGSD-HWKANZROSA-N 0 0 348.746 2.837 10 5 EFBERN CC(=O)c1cccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001559224714 1415231092 /nfs/dbraw/zinc/23/10/92/1415231092.db2.gz GLDOXCQVEPYOOD-UHFFFAOYSA-N 0 0 348.380 2.813 10 5 EFBERN CN1c2ccccc2C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1=O ZINC001559235176 1415232422 /nfs/dbraw/zinc/23/24/22/1415232422.db2.gz WJPWYTOXRXJSRL-LLVKDONJSA-N 0 0 332.747 2.643 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(c2ccc(F)cc2[N+](=O)[O-])CC12CCC2 ZINC001559235183 1415232473 /nfs/dbraw/zinc/23/24/73/1415232473.db2.gz WOYSKHZEUSULNF-INIZCTEOSA-N 0 0 340.326 2.996 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H](O)C12CCC2 ZINC001559237393 1415232707 /nfs/dbraw/zinc/23/27/07/1415232707.db2.gz NLLXCXXUBMTBNF-NEPJUHHUSA-N 0 0 340.763 2.750 10 5 EFBERN COC(=O)c1cc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])ccn1 ZINC001559247307 1415233080 /nfs/dbraw/zinc/23/30/80/1415233080.db2.gz JCPFUOHCJMPNPM-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN COC(=O)c1cc(CNc2ncc([N+](=O)[O-])c3ccccc32)ccn1 ZINC001559247272 1415233282 /nfs/dbraw/zinc/23/32/82/1415233282.db2.gz HZJXXWJEJRKXFY-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN CCNc1cc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)ccn1 ZINC001559252157 1415233461 /nfs/dbraw/zinc/23/34/61/1415233461.db2.gz VKCOGZLDRTVTRQ-UHFFFAOYSA-N 0 0 341.371 2.918 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2ccc(O)cc2)CC1 ZINC001559262587 1415234044 /nfs/dbraw/zinc/23/40/44/1415234044.db2.gz NTLLQGBNKGFQLK-UHFFFAOYSA-N 0 0 331.347 2.762 10 5 EFBERN COc1ccc(CCNc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1O ZINC001559271848 1415235513 /nfs/dbraw/zinc/23/55/13/1415235513.db2.gz VQDYKTHVHXFTCK-UHFFFAOYSA-N 0 0 348.355 2.981 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001559273721 1415235831 /nfs/dbraw/zinc/23/58/31/1415235831.db2.gz BENBPMGCVNASAF-PIGZYNQJSA-N 0 0 347.371 2.849 10 5 EFBERN Cc1cc(NCC[C@@]2(O)C(=O)Nc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001559270474 1415235865 /nfs/dbraw/zinc/23/58/65/1415235865.db2.gz SJWVLQLIMNKUFL-KRWDZBQOSA-N 0 0 345.330 2.684 10 5 EFBERN CO[C@@]1(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCSC1 ZINC001559284685 1415236341 /nfs/dbraw/zinc/23/63/41/1415236341.db2.gz NBNFNIPYBYPMCB-OAHLLOKOSA-N 0 0 337.376 2.638 10 5 EFBERN CCOc1cccnc1N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001559280880 1415236541 /nfs/dbraw/zinc/23/65/41/1415236541.db2.gz YRACJGQVLLZAPT-UHFFFAOYSA-N 0 0 346.362 2.854 10 5 EFBERN COCc1nc(Cl)cc(N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001559284327 1415236625 /nfs/dbraw/zinc/23/66/25/1415236625.db2.gz XJCSJIQBBPYPNC-UHFFFAOYSA-N 0 0 348.750 2.829 10 5 EFBERN COC(=O)c1cnc(NCC[C@@H]2CCC3(CCC3)O2)c([N+](=O)[O-])c1 ZINC001559286857 1415237006 /nfs/dbraw/zinc/23/70/06/1415237006.db2.gz SKZVKHYAUYHIHF-LBPRGKRZSA-N 0 0 335.360 2.680 10 5 EFBERN COC(=O)c1cnc(NCC[C@H]2CCC3(CCC3)O2)c([N+](=O)[O-])c1 ZINC001559286856 1415237210 /nfs/dbraw/zinc/23/72/10/1415237210.db2.gz SKZVKHYAUYHIHF-GFCCVEGCSA-N 0 0 335.360 2.680 10 5 EFBERN CCc1onc(C)c1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559287436 1415237300 /nfs/dbraw/zinc/23/73/00/1415237300.db2.gz QRBPXAHZISMHML-UHFFFAOYSA-N 0 0 342.355 2.918 10 5 EFBERN COc1nscc1CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559288960 1415237358 /nfs/dbraw/zinc/23/73/58/1415237358.db2.gz AMUGPZSVTRYPMB-UHFFFAOYSA-N 0 0 334.401 2.970 10 5 EFBERN O=[N+]([O-])c1ccc(NC2CC(NCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001559294688 1415237854 /nfs/dbraw/zinc/23/78/54/1415237854.db2.gz WYHLZGPANIOQDS-UHFFFAOYSA-N 0 0 334.254 2.598 10 5 EFBERN Cc1cccnc1[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)(C)C ZINC001559298363 1415237974 /nfs/dbraw/zinc/23/79/74/1415237974.db2.gz QUWACGNZZRQJJS-AWEZNQCLSA-N 0 0 343.387 2.991 10 5 EFBERN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCC2(CCC2)O1 ZINC001559366580 1415241175 /nfs/dbraw/zinc/24/11/75/1415241175.db2.gz BRCPQELNWAXVTO-AWEZNQCLSA-N 0 0 345.355 2.903 10 5 EFBERN CC(C)=CCCn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O ZINC001559356000 1415241414 /nfs/dbraw/zinc/24/14/14/1415241414.db2.gz WFZVOSBEZQYGNY-UHFFFAOYSA-N 0 0 339.355 2.847 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1Cn1nnnc1CCCc1ccccc1 ZINC001559378806 1415241925 /nfs/dbraw/zinc/24/19/25/1415241925.db2.gz QAOXERYIFQUVID-UHFFFAOYSA-N 0 0 341.346 2.944 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cn2cc(Cl)ccc2n1 ZINC001559407097 1415243258 /nfs/dbraw/zinc/24/32/58/1415243258.db2.gz RFYHVQQXKHPXHR-UHFFFAOYSA-N 0 0 344.714 2.852 10 5 EFBERN CCOC(=O)c1c(Cn2ccnc2[N+](=O)[O-])occ1C(F)(F)F ZINC001559454334 1415247057 /nfs/dbraw/zinc/24/70/57/1415247057.db2.gz WLENUJRHDRCPNB-UHFFFAOYSA-N 0 0 333.222 2.628 10 5 EFBERN CCOC(=O)C(C)(C)C(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001559461631 1415248053 /nfs/dbraw/zinc/24/80/53/1415248053.db2.gz RBNOGEJAYNGIBE-UHFFFAOYSA-N 0 0 347.726 2.925 10 5 EFBERN O=[N+]([O-])c1cccc(-c2nc(Cl)n(Cc3nnc(C4CC4)o3)n2)c1 ZINC001559470978 1415248759 /nfs/dbraw/zinc/24/87/59/1415248759.db2.gz WMFZEEGOZBCBQB-UHFFFAOYSA-N 0 0 346.734 2.815 10 5 EFBERN CCOC(=O)C1(NCc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC001559612644 1415251948 /nfs/dbraw/zinc/25/19/48/1415251948.db2.gz MGFCPCUHJFDLIC-UHFFFAOYSA-N 0 0 336.388 2.959 10 5 EFBERN Cn1cc(CN2CCN(C3CC3)c3ccc(Cl)cc32)c([N+](=O)[O-])n1 ZINC001559779296 1415255303 /nfs/dbraw/zinc/25/53/03/1415255303.db2.gz QTJUAJQIGZKWIS-UHFFFAOYSA-N 0 0 347.806 2.971 10 5 EFBERN COC(=O)[C@@H](Cc1ccccc1)NCc1c(F)cccc1[N+](=O)[O-] ZINC001559947474 1415259181 /nfs/dbraw/zinc/25/91/81/1415259181.db2.gz UBODMCDTCKLHDO-OAHLLOKOSA-N 0 0 332.331 2.608 10 5 EFBERN O=C(CN1CCC(C2CCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001559983624 1415259671 /nfs/dbraw/zinc/25/96/71/1415259671.db2.gz WIXUTPBTAQJJGU-UHFFFAOYSA-N 0 0 343.427 2.996 10 5 EFBERN O=C(CN1CCC(C2CCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001559983027 1415260212 /nfs/dbraw/zinc/26/02/12/1415260212.db2.gz DPAGAPXGGGFPDY-UHFFFAOYSA-N 0 0 343.427 2.996 10 5 EFBERN C[C@](CO)(NCc1ccc([N+](=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001560066272 1415262112 /nfs/dbraw/zinc/26/21/12/1415262112.db2.gz OOFQMGRCMJVSKC-MRXNPFEDSA-N 0 0 349.318 2.639 10 5 EFBERN Cc1c(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001560066433 1415262563 /nfs/dbraw/zinc/26/25/63/1415262563.db2.gz VABINETWVUELSP-QGZVFWFLSA-N 0 0 345.355 2.809 10 5 EFBERN COc1cc(CN2CC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])cc1F ZINC001560176605 1415265516 /nfs/dbraw/zinc/26/55/16/1415265516.db2.gz CIBKFVZBMQLFLT-LLVKDONJSA-N 0 0 332.335 2.522 10 5 EFBERN COCC[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])c2ccccc21 ZINC001560223977 1415268692 /nfs/dbraw/zinc/26/86/92/1415268692.db2.gz MGIRNXQDENRLAG-ZDUSSCGKSA-N 0 0 330.388 2.859 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2cc(O)ccc2C1 ZINC001560239693 1415269475 /nfs/dbraw/zinc/26/94/75/1415269475.db2.gz KANCCLLMRKIPPJ-GFCCVEGCSA-N 0 0 341.367 2.686 10 5 EFBERN CC1(C)CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001564378397 1415376565 /nfs/dbraw/zinc/37/65/65/1415376565.db2.gz JNFGGJWXCYTQMU-LBPRGKRZSA-N 0 0 333.388 2.946 10 5 EFBERN CC(C)(C)[C@@H]1CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001564658681 1415380037 /nfs/dbraw/zinc/38/00/37/1415380037.db2.gz ODFRLEAWHSWSGU-ZDUSSCGKSA-N 0 0 331.376 2.801 10 5 EFBERN C[C@]12CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001564683957 1415380853 /nfs/dbraw/zinc/38/08/53/1415380853.db2.gz WJBQBYCAPGBIAO-CYJAXWMASA-N 0 0 341.411 2.991 10 5 EFBERN O=C(N[C@@H]1CCCC[C@@H]1F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001565170161 1415390917 /nfs/dbraw/zinc/39/09/17/1415390917.db2.gz SOEMNKNFBRNEMJ-LSDHHAIUSA-N 0 0 337.351 2.648 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC001565214548 1415391715 /nfs/dbraw/zinc/39/17/15/1415391715.db2.gz XBIJKXFDUUWKAH-LLVKDONJSA-N 0 0 346.391 2.705 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC001565214294 1415391748 /nfs/dbraw/zinc/39/17/48/1415391748.db2.gz RFRWVYQERMUJGF-SWLSCSKDSA-N 0 0 347.371 2.808 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001565213821 1415391984 /nfs/dbraw/zinc/39/19/84/1415391984.db2.gz ADUOMCLPVSCKFQ-OAHLLOKOSA-N 0 0 347.346 2.575 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC001565213925 1415391989 /nfs/dbraw/zinc/39/19/89/1415391989.db2.gz DUWLCJFOCWRFIK-SFHVURJKSA-N 0 0 343.383 2.610 10 5 EFBERN O=C(NCc1cc(C2CC2)no1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001565334104 1415393118 /nfs/dbraw/zinc/39/31/18/1415393118.db2.gz IXBHPWNQBYDLAK-UHFFFAOYSA-N 0 0 342.355 2.728 10 5 EFBERN CN(CCNC(=O)c1c[nH]cc1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001565599195 1415405807 /nfs/dbraw/zinc/40/58/07/1415405807.db2.gz LNEQWTINMVPQPT-UHFFFAOYSA-N 0 0 346.362 2.806 10 5 EFBERN CN(CCNC(=O)c1ccc(C2CC2)cn1)c1ccccc1[N+](=O)[O-] ZINC001565598984 1415406093 /nfs/dbraw/zinc/40/60/93/1415406093.db2.gz AUOHPBIAKFLROM-UHFFFAOYSA-N 0 0 340.383 2.733 10 5 EFBERN CCc1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)n(C)n1 ZINC001565759660 1415413860 /nfs/dbraw/zinc/41/38/60/1415413860.db2.gz IISNYIMOWRYBJG-UHFFFAOYSA-N 0 0 341.730 2.518 10 5 EFBERN CC(C)[C@H](O)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001565785464 1415416170 /nfs/dbraw/zinc/41/61/70/1415416170.db2.gz IPEYWLGEMBTNET-CQSZACIVSA-N 0 0 328.796 2.704 10 5 EFBERN O=C(c1c[nH]nc1[N+](=O)[O-])N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001565800064 1415416770 /nfs/dbraw/zinc/41/67/70/1415416770.db2.gz WTFDWGUIJVEKGM-UHFFFAOYSA-N 0 0 346.240 2.662 10 5 EFBERN O=C(c1n[nH]cc1C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC001565896831 1415445944 /nfs/dbraw/zinc/44/59/44/1415445944.db2.gz DWJQFKAMPUKWKL-UHFFFAOYSA-N 0 0 326.234 2.540 10 5 EFBERN Cc1csc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C2CC2)n1 ZINC001566005758 1415481013 /nfs/dbraw/zinc/48/10/13/1415481013.db2.gz HWBUXGCSRKHJAV-ZDUSSCGKSA-N 0 0 332.385 2.823 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cnn3c2NC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC001566126301 1415525370 /nfs/dbraw/zinc/52/53/70/1415525370.db2.gz MBFYRUZRFICVDC-PWSUYJOCSA-N 0 0 343.387 2.652 10 5 EFBERN COC[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC001566187382 1415534371 /nfs/dbraw/zinc/53/43/71/1415534371.db2.gz KQQKETQCKKAJOG-GFCCVEGCSA-N 0 0 338.747 2.888 10 5 EFBERN O=C(Nc1c(F)cccc1NC1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001566196763 1415534442 /nfs/dbraw/zinc/53/44/42/1415534442.db2.gz OLNPIRQDHQVKFZ-UHFFFAOYSA-N 0 0 332.291 2.661 10 5 EFBERN COC[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC001566187383 1415534479 /nfs/dbraw/zinc/53/44/79/1415534479.db2.gz KQQKETQCKKAJOG-LBPRGKRZSA-N 0 0 338.747 2.888 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)nc1 ZINC001566279551 1415538270 /nfs/dbraw/zinc/53/82/70/1415538270.db2.gz URSFGLPGIPOJQX-UHFFFAOYSA-N 0 0 337.133 2.587 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001566286634 1415538941 /nfs/dbraw/zinc/53/89/41/1415538941.db2.gz IQFRAPVYWGHFAD-GUYCJALGSA-N 0 0 326.356 2.859 10 5 EFBERN CC(C)C[C@H](O)CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001566312370 1415539606 /nfs/dbraw/zinc/53/96/06/1415539606.db2.gz HAMNCUKKXLRPPO-AWEZNQCLSA-N 0 0 343.383 2.794 10 5 EFBERN C[C@@H]1CC[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001566345170 1415541546 /nfs/dbraw/zinc/54/15/46/1415541546.db2.gz SLUGCORHHGLRMS-TXEJJXNPSA-N 0 0 329.356 2.921 10 5 EFBERN Cc1nc(CC(C)C)c(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)s1 ZINC001566396666 1415544954 /nfs/dbraw/zinc/54/49/54/1415544954.db2.gz WCAAGSXVIURJIB-UHFFFAOYSA-N 0 0 335.389 2.788 10 5 EFBERN Cc1c(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cnn1C ZINC001566390273 1415544990 /nfs/dbraw/zinc/54/49/90/1415544990.db2.gz ZXIKWEKTOLZMJE-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN O=C(N[C@H](CCO)C1CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001566396311 1415545102 /nfs/dbraw/zinc/54/51/02/1415545102.db2.gz LHEZLUOAUUJENE-OAHLLOKOSA-N 0 0 341.367 2.548 10 5 EFBERN Nc1ncc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1[N+](=O)[O-] ZINC001566425699 1415546107 /nfs/dbraw/zinc/54/61/07/1415546107.db2.gz XDXNSKKJYYJCBW-UHFFFAOYSA-N 0 0 348.269 2.638 10 5 EFBERN CCC(CC)(CO)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001566461974 1415560918 /nfs/dbraw/zinc/56/09/18/1415560918.db2.gz JGWYCCFGNRWVBN-UHFFFAOYSA-N 0 0 345.399 2.859 10 5 EFBERN CCC1(CO)CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001566462719 1415561596 /nfs/dbraw/zinc/56/15/96/1415561596.db2.gz WWZGVFYYLBNCNV-UHFFFAOYSA-N 0 0 340.807 2.802 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NOCc1cccnc1 ZINC001566547806 1415631774 /nfs/dbraw/zinc/63/17/74/1415631774.db2.gz GSSXTTLLYYBHFU-UHFFFAOYSA-N 0 0 335.747 2.824 10 5 EFBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001566561289 1415643259 /nfs/dbraw/zinc/64/32/59/1415643259.db2.gz ZLRMMRFAIKGSOI-LLVKDONJSA-N 0 0 330.315 2.664 10 5 EFBERN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566723621 1415746912 /nfs/dbraw/zinc/74/69/12/1415746912.db2.gz LXUQGOBBTMNNNX-UHFFFAOYSA-N 0 0 329.360 2.507 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(CCCO)CC1 ZINC001566773031 1415770223 /nfs/dbraw/zinc/77/02/23/1415770223.db2.gz VGEXZLHDBHFEDC-UHFFFAOYSA-N 0 0 340.807 2.802 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC001566775322 1415771339 /nfs/dbraw/zinc/77/13/39/1415771339.db2.gz YPJCHDGEKSUGKF-UHFFFAOYSA-N 0 0 344.302 2.554 10 5 EFBERN C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001566780144 1415772713 /nfs/dbraw/zinc/77/27/13/1415772713.db2.gz CVFVNOBEBRMKSF-BZNIZROVSA-N 0 0 332.331 2.628 10 5 EFBERN CO[C@H]1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001566942116 1415860689 /nfs/dbraw/zinc/86/06/89/1415860689.db2.gz OCULHQCCOGFROY-XVKPBYJWSA-N 0 0 345.758 2.514 10 5 EFBERN C[C@H](c1ccccc1)N(CCO)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001566969892 1415883071 /nfs/dbraw/zinc/88/30/71/1415883071.db2.gz SAVRHWFXORCHOB-LLVKDONJSA-N 0 0 347.346 2.512 10 5 EFBERN CCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4csc([N+](=O)[O-])c4)C[C@H]32)CCC1 ZINC001566975210 1415884395 /nfs/dbraw/zinc/88/43/95/1415884395.db2.gz PPDMHZAQXFKXAI-NHAGDIPZSA-N 0 0 349.456 2.783 10 5 EFBERN CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CCO1 ZINC001566996207 1415893076 /nfs/dbraw/zinc/89/30/76/1415893076.db2.gz IMQXQAVTQRPDND-WBMJQRKESA-N 0 0 335.404 2.891 10 5 EFBERN C[C@@]1(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CCCc2ccccc21 ZINC001567194674 1415986363 /nfs/dbraw/zinc/98/63/63/1415986363.db2.gz ZQSZBRKJDRRORC-SFHVURJKSA-N 0 0 340.383 2.596 10 5 EFBERN O=C(COc1ccc(F)c(F)c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001567246111 1416014150 /nfs/dbraw/zinc/01/41/50/1416014150.db2.gz UQLXSCOKAWOKPS-UHFFFAOYSA-N 0 0 348.265 2.767 10 5 EFBERN CC1=CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)CC1 ZINC001567252228 1416022480 /nfs/dbraw/zinc/02/24/80/1416022480.db2.gz CROGRLULHOWBEA-UHFFFAOYSA-N 0 0 345.384 2.656 10 5 EFBERN CN(CCNC(=O)C1CC2(CCC2)C1)Cc1csc([N+](=O)[O-])c1 ZINC001567298894 1416063178 /nfs/dbraw/zinc/06/31/78/1416063178.db2.gz XUEILFIRYKVIQK-UHFFFAOYSA-N 0 0 337.445 2.785 10 5 EFBERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001567315174 1416069515 /nfs/dbraw/zinc/06/95/15/1416069515.db2.gz KZHGAAUMZSDXFX-MRXNPFEDSA-N 0 0 344.342 2.972 10 5 EFBERN CCN(CCNC(=O)Cc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001567337514 1416079967 /nfs/dbraw/zinc/07/99/67/1416079967.db2.gz NGBBBHJIKJSYSF-UHFFFAOYSA-N 0 0 347.440 2.837 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NOCc1ccc(F)cc1 ZINC001567455185 1416145282 /nfs/dbraw/zinc/14/52/82/1416145282.db2.gz WPBITMLWHQMOAV-UHFFFAOYSA-N 0 0 334.303 2.994 10 5 EFBERN O=C(CCCc1nccs1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001567618844 1416212671 /nfs/dbraw/zinc/21/26/71/1416212671.db2.gz PEAJUFYATPMNCG-UHFFFAOYSA-N 0 0 347.396 2.664 10 5 EFBERN CO[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC001567682937 1416246165 /nfs/dbraw/zinc/24/61/65/1416246165.db2.gz KEZJWIQCKXAMCO-QMTHXVAHSA-N 0 0 326.780 2.674 10 5 EFBERN CO[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC001567682935 1416246216 /nfs/dbraw/zinc/24/62/16/1416246216.db2.gz KEZJWIQCKXAMCO-HZMBPMFUSA-N 0 0 326.780 2.674 10 5 EFBERN CCCC1(C(=O)NCC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001567840448 1416295300 /nfs/dbraw/zinc/29/53/00/1416295300.db2.gz UMYRMNPFWXAQMP-UHFFFAOYSA-N 0 0 331.416 2.723 10 5 EFBERN Cc1cc(OCC(=O)NN2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC001567966996 1416345809 /nfs/dbraw/zinc/34/58/09/1416345809.db2.gz SMUWDYOODUFOGD-UHFFFAOYSA-N 0 0 341.367 2.766 10 5 EFBERN O=C(CCCc1cccnc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001568236464 1416450950 /nfs/dbraw/zinc/45/09/50/1416450950.db2.gz PKFJQIPTAFCDCQ-UHFFFAOYSA-N 0 0 339.355 2.505 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(Cl)ncc1F ZINC001568236667 1416451090 /nfs/dbraw/zinc/45/10/90/1416451090.db2.gz WUHLMPJRZUNFTG-UHFFFAOYSA-N 0 0 349.709 2.589 10 5 EFBERN COc1ccccc1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001568384736 1416505657 /nfs/dbraw/zinc/50/56/57/1416505657.db2.gz LWNCOGUXPOATOH-JTQLQIEISA-N 0 0 347.346 2.686 10 5 EFBERN O=C(Cc1nc(C2CC2)cs1)NCCc1ccccc1[N+](=O)[O-] ZINC001568440349 1416535756 /nfs/dbraw/zinc/53/57/56/1416535756.db2.gz SPPTVPONTCNJSE-UHFFFAOYSA-N 0 0 331.397 2.830 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC(F)(F)OC(F)(F)C1 ZINC001645860143 1416575773 /nfs/dbraw/zinc/57/57/73/1416575773.db2.gz GZLNXUXDEKSFPB-UHFFFAOYSA-N 0 0 342.632 2.906 10 5 EFBERN O=C(Nc1cnn(C2CCCC2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001645912594 1416583705 /nfs/dbraw/zinc/58/37/05/1416583705.db2.gz LLCAQFWXUFNWNQ-OAHLLOKOSA-N 0 0 330.344 2.579 10 5 EFBERN CC1(C)CC[C@H](CO)N(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001646102503 1416613171 /nfs/dbraw/zinc/61/31/71/1416613171.db2.gz KYFXXDWNHHKMQE-GFCCVEGCSA-N 0 0 340.807 2.800 10 5 EFBERN C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1N)C1CCCCC1 ZINC001646118721 1416615792 /nfs/dbraw/zinc/61/57/92/1416615792.db2.gz HMPCAUSPJQYPGG-QFIPXVFZSA-N 0 0 325.390 2.748 10 5 EFBERN CCc1n[nH]c(C(=O)N(Cc2ccccn2)CC(C)C)c1[N+](=O)[O-] ZINC001646145790 1416620524 /nfs/dbraw/zinc/62/05/24/1416620524.db2.gz IVIMTNOXZDFBEL-UHFFFAOYSA-N 0 0 331.376 2.574 10 5 EFBERN CCn1nc(C2CC2)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001646258378 1416638979 /nfs/dbraw/zinc/63/89/79/1416638979.db2.gz CBVJNBFCDLQWQZ-UHFFFAOYSA-N 0 0 329.360 2.832 10 5 EFBERN COc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1OC ZINC001646254814 1416638985 /nfs/dbraw/zinc/63/89/85/1416638985.db2.gz FMMZFNMBAMKMBO-UHFFFAOYSA-N 0 0 331.328 2.755 10 5 EFBERN Cc1ccc(NC(=O)Cc2ccc3n[nH]cc3c2)c(N)c1[N+](=O)[O-] ZINC001646258322 1416639106 /nfs/dbraw/zinc/63/91/06/1416639106.db2.gz APUVDXJDZKUJLM-UHFFFAOYSA-N 0 0 325.328 2.543 10 5 EFBERN Cc1ccc(F)cc1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001646258372 1416639183 /nfs/dbraw/zinc/63/91/83/1416639183.db2.gz BULOSSMZDCVWNY-UHFFFAOYSA-N 0 0 331.303 2.754 10 5 EFBERN C[C@H](NC(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001684062747 1416693748 /nfs/dbraw/zinc/69/37/48/1416693748.db2.gz IUMCMMJIPWJYRW-TUKIKUTGSA-N 0 0 333.388 2.722 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC001684706209 1416728794 /nfs/dbraw/zinc/72/87/94/1416728794.db2.gz GVWHTKQBZFMZDM-DYVFJYSZSA-N 0 0 343.383 2.825 10 5 EFBERN Cc1ccc(CNC(=O)NCC2([C@@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC001684706843 1416728808 /nfs/dbraw/zinc/72/88/08/1416728808.db2.gz SWEKVGGXMVILKY-AWEZNQCLSA-N 0 0 349.431 2.891 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC001684706163 1416728827 /nfs/dbraw/zinc/72/88/27/1416728827.db2.gz FMKLGDJBSRCZSN-KRWDZBQOSA-N 0 0 337.420 2.890 10 5 EFBERN C[C@H](NC(=O)NCc1cc(C2CC2)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC001685165631 1416753110 /nfs/dbraw/zinc/75/31/10/1416753110.db2.gz GIWRKQSDYNMTKL-NSHDSACASA-N 0 0 343.387 2.766 10 5 EFBERN C[C@H](NC(=O)NC1(c2ncccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001685253445 1416754656 /nfs/dbraw/zinc/75/46/56/1416754656.db2.gz KJTOECZAYXRFFG-LBPRGKRZSA-N 0 0 341.371 2.824 10 5 EFBERN C[C@H](CNC(=O)NC[C@H]1CCC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC001685448306 1416764071 /nfs/dbraw/zinc/76/40/71/1416764071.db2.gz ZYNJYVYTTYGEFN-RDBSUJKOSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@H](CNC(=O)NC[C@@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001685447836 1416764230 /nfs/dbraw/zinc/76/42/30/1416764230.db2.gz RGZSODIJUULEJL-CXAGYDPISA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H](CNC(=O)N[C@H]1CC[C@@H](CO)CC1)c1ccccc1[N+](=O)[O-] ZINC001685527568 1416766472 /nfs/dbraw/zinc/76/64/72/1416766472.db2.gz ITIGTWZUJMIXCA-MCIONIFRSA-N 0 0 335.404 2.549 10 5 EFBERN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001685635518 1416769925 /nfs/dbraw/zinc/76/99/25/1416769925.db2.gz AUTVJAHRDXCKHO-KBRIMQKVSA-N 0 0 344.415 2.615 10 5 EFBERN Cc1cccnc1[C@H](C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001685665439 1416770565 /nfs/dbraw/zinc/77/05/65/1416770565.db2.gz XLTHHPVVMAHKMY-ZDUSSCGKSA-N 0 0 343.387 2.771 10 5 EFBERN CC[C@H](C[C@H](C)O)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001685896569 1416776813 /nfs/dbraw/zinc/77/68/13/1416776813.db2.gz PZUCIOLJNLRFJX-GXFFZTMASA-N 0 0 343.811 2.639 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1CCC2(C1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC001685905660 1416777700 /nfs/dbraw/zinc/77/77/00/1416777700.db2.gz NGWGDOQZPPYBJO-HIFRSBDPSA-N 0 0 349.387 2.641 10 5 EFBERN Cc1ccc(N(C)CCNC(=O)COc2ccsc2)c([N+](=O)[O-])c1 ZINC001689819126 1417081009 /nfs/dbraw/zinc/08/10/09/1417081009.db2.gz AVDKKPXVVURYJH-UHFFFAOYSA-N 0 0 349.412 2.596 10 5 EFBERN Cc1ccc(CCC(=O)NCCN(C)c2ccc([N+](=O)[O-])cn2)s1 ZINC001690127127 1417160095 /nfs/dbraw/zinc/16/00/95/1417160095.db2.gz CVMXTSVGIHFGEB-UHFFFAOYSA-N 0 0 348.428 2.545 10 5 EFBERN CCC1(C(=O)NCCN(C)c2ccc([N+](=O)[O-])c(C)c2)CCOCC1 ZINC001690129640 1417161264 /nfs/dbraw/zinc/16/12/64/1417161264.db2.gz FNZSXENDVKKIPW-UHFFFAOYSA-N 0 0 349.431 2.662 10 5 EFBERN CCC1(C(=O)NCCN(C)c2ncc(C)cc2[N+](=O)[O-])CCCC1 ZINC001690212628 1417174599 /nfs/dbraw/zinc/17/45/99/1417174599.db2.gz DAOPQOZHQDYULN-UHFFFAOYSA-N 0 0 334.420 2.821 10 5 EFBERN COCCC(C)(C)C(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001690213344 1417174679 /nfs/dbraw/zinc/17/46/79/1417174679.db2.gz WASNQVUSOGKGRU-UHFFFAOYSA-N 0 0 337.420 2.518 10 5 EFBERN C[C@@H]1C[C@@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@@H]1C ZINC001693597699 1417288140 /nfs/dbraw/zinc/28/81/40/1417288140.db2.gz KVEFPQPLENIODC-XUJVJEKNSA-N 0 0 343.387 2.659 10 5 EFBERN CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001693909382 1417288971 /nfs/dbraw/zinc/28/89/71/1417288971.db2.gz DFFXMBJCYZKPTB-QGZVFWFLSA-N 0 0 345.403 2.615 10 5 EFBERN CN(CCNC(=O)c1c[nH]cc1C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001714569761 1418608542 /nfs/dbraw/zinc/60/85/42/1418608542.db2.gz PVHVUPRVQPFPGV-UHFFFAOYSA-N 0 0 342.399 2.662 10 5 EFBERN O=C(NC/C=C\CNCc1csc([N+](=O)[O-])c1)c1ccsc1 ZINC001716263389 1418747644 /nfs/dbraw/zinc/74/76/44/1418747644.db2.gz BOYJVZHPVNVCGX-UPHRSURJSA-N 0 0 337.426 2.794 10 5 EFBERN Cc1cc(C(=O)NC/C=C/CNCc2csc([N+](=O)[O-])c2)co1 ZINC001716287125 1418752350 /nfs/dbraw/zinc/75/23/50/1418752350.db2.gz KZQWRLSISGMASQ-NSCUHMNNSA-N 0 0 335.385 2.634 10 5 EFBERN C=C/C(C)=C\CC(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001723782332 1424578501 /nfs/dbraw/zinc/57/85/01/1424578501.db2.gz KZWOIMNSDITGGT-XGICHPGQSA-N 0 0 335.429 2.821 10 5 EFBERN CO[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001729826355 1426328240 /nfs/dbraw/zinc/32/82/40/1426328240.db2.gz KQOXXHAOBRKHLY-GFCCVEGCSA-N 0 0 345.403 2.734 10 5 EFBERN COCCCn1c(C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001730695147 1426334509 /nfs/dbraw/zinc/33/45/09/1426334509.db2.gz LYRFKIQCRZOIFQ-UHFFFAOYSA-N 0 0 345.403 2.700 10 5 EFBERN C[C@H]1CC[C@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000120312158 713060097 /nfs/dbraw/zinc/06/00/97/713060097.db2.gz MWZOFEGUOACPSH-GWCFXTLKSA-N 0 0 330.431 2.857 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000890595376 713103475 /nfs/dbraw/zinc/10/34/75/713103475.db2.gz JPFPQIPMSCBMPT-CABCVRRESA-N 0 0 348.399 2.764 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000890595807 713108469 /nfs/dbraw/zinc/10/84/69/713108469.db2.gz NSXSXZGSZBIHFV-KGLIPLIRSA-N 0 0 334.372 2.835 10 5 EFBERN Cc1noc(C)c1CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120761225 713389609 /nfs/dbraw/zinc/38/96/09/713389609.db2.gz RHRRPBVIDFBHLA-UHFFFAOYSA-N 0 0 346.387 2.674 10 5 EFBERN O=c1cc[nH]c2cc(CNc3nc4ccccn4c3[N+](=O)[O-])ccc12 ZINC000804673727 713394687 /nfs/dbraw/zinc/39/46/87/713394687.db2.gz ASIWBILUIZLDFZ-UHFFFAOYSA-N 0 0 335.323 2.696 10 5 EFBERN Cc1ccc(N2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1Br ZINC000804677075 713399286 /nfs/dbraw/zinc/39/92/86/713399286.db2.gz HQJFRZWRAMTFDM-SNVBAGLBSA-N 0 0 329.194 2.873 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cnccc2C)CC1 ZINC000804686101 713416588 /nfs/dbraw/zinc/41/65/88/713416588.db2.gz XUOSVDUHJSNGNR-UHFFFAOYSA-N 0 0 340.383 2.827 10 5 EFBERN Cc1cccc(CCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)n1 ZINC000804774502 713466330 /nfs/dbraw/zinc/46/63/30/713466330.db2.gz MMSLXCHTMRDILW-UHFFFAOYSA-N 0 0 342.355 2.674 10 5 EFBERN Cc1nn(C)c(N2CCC([C@H](O)c3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000804810427 713476982 /nfs/dbraw/zinc/47/69/82/713476982.db2.gz GWQOBMYVBVHFLV-KRWDZBQOSA-N 0 0 344.415 2.895 10 5 EFBERN Cc1cc(N[C@H](C)C2(S(C)(=O)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000804812310 713478808 /nfs/dbraw/zinc/47/88/08/713478808.db2.gz MHINLXQWRNSKSJ-SECBINFHSA-N 0 0 332.809 2.934 10 5 EFBERN COC1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000804841731 713668786 /nfs/dbraw/zinc/66/87/86/713668786.db2.gz BWSVGYPLEOBFDD-UHFFFAOYSA-N 0 0 329.312 2.865 10 5 EFBERN Cc1nc(NC(=O)c2cc(Cl)nc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000134032772 713788926 /nfs/dbraw/zinc/78/89/26/713788926.db2.gz YVWCGXFXLBDNGA-UHFFFAOYSA-N 0 0 335.751 2.665 10 5 EFBERN COc1ccc2c(c1)N1C(=O)C[C@@]34C=CC[N@@+]5([O-])CC[C@H]2[C@H](CC3)[C@@]145 ZINC000253393556 717165842 /nfs/dbraw/zinc/16/58/42/717165842.db2.gz LWLMAANSTJSHJG-RPOJGZRZSA-N 0 0 339.415 2.801 10 5 EFBERN CC(=O)Nc1nc(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cs1 ZINC000177193551 717939193 /nfs/dbraw/zinc/93/91/93/717939193.db2.gz GNUWSRISFQDBMK-VIFPVBQESA-N 0 0 332.385 2.961 10 5 EFBERN CN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000049945761 714050647 /nfs/dbraw/zinc/05/06/47/714050647.db2.gz ASJGZRJKPDHSDT-UHFFFAOYSA-N 0 0 333.275 2.914 10 5 EFBERN C[C@]1(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000177237356 717951314 /nfs/dbraw/zinc/95/13/14/717951314.db2.gz MEIMNWJSNOSGNL-MRXNPFEDSA-N 0 0 331.328 2.506 10 5 EFBERN CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000167417500 717952699 /nfs/dbraw/zinc/95/26/99/717952699.db2.gz INEXPADDUTUNOK-UHFFFAOYSA-N 0 0 349.206 2.578 10 5 EFBERN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)NCCc1ccccc1 ZINC000096878938 714681265 /nfs/dbraw/zinc/68/12/65/714681265.db2.gz DYJLJHRJCVCWKW-SREVYHEPSA-N 0 0 340.335 2.696 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)C[C@H]1C1CC1 ZINC000891798943 715025397 /nfs/dbraw/zinc/02/53/97/715025397.db2.gz CXHDYFCJWPIHTE-JICACKBISA-N 0 0 328.368 2.968 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)C[C@@H]1C1CC1 ZINC000891798947 715025441 /nfs/dbraw/zinc/02/54/41/715025441.db2.gz CXHDYFCJWPIHTE-XSLBHYSZSA-N 0 0 328.368 2.968 10 5 EFBERN CC(C)Oc1cc(C(=O)N2CCC(=O)C[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000891809782 715032614 /nfs/dbraw/zinc/03/26/14/715032614.db2.gz QWKMRNCASQNKHW-MRXNPFEDSA-N 0 0 346.383 2.966 10 5 EFBERN CC(C)Oc1cc(C(=O)N2CCC(=O)C[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000891809781 715032738 /nfs/dbraw/zinc/03/27/38/715032738.db2.gz QWKMRNCASQNKHW-INIZCTEOSA-N 0 0 346.383 2.966 10 5 EFBERN O=C(NCC[C@H]1CCCC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000893401227 715351890 /nfs/dbraw/zinc/35/18/90/715351890.db2.gz DYDLLDJUEAPBGQ-SECBINFHSA-N 0 0 342.298 2.879 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCSc2ccncc21 ZINC000124781096 715488017 /nfs/dbraw/zinc/48/80/17/715488017.db2.gz PDIKRBYHQPYLIY-UHFFFAOYSA-N 0 0 349.343 2.647 10 5 EFBERN CC[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000928688067 724407408 /nfs/dbraw/zinc/40/74/08/724407408.db2.gz VCDPURXOJWDLGP-JTQLQIEISA-N 0 0 340.351 2.832 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000313069790 715652192 /nfs/dbraw/zinc/65/21/92/715652192.db2.gz YAENGVKERZNUND-LLVKDONJSA-N 0 0 343.177 2.512 10 5 EFBERN O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724588544 715711526 /nfs/dbraw/zinc/71/15/26/715711526.db2.gz APRDUQBDKWSXME-JQEORGNBSA-N 0 0 343.177 2.573 10 5 EFBERN CC(C)C[C@H]1COCC[C@H]1OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000893482067 715944988 /nfs/dbraw/zinc/94/49/88/715944988.db2.gz ADUXTCOGGMUHBI-DZGCQCFKSA-N 0 0 337.372 2.968 10 5 EFBERN Cc1cnc2n1CC[C@@H]2OC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000893516927 716455176 /nfs/dbraw/zinc/45/51/76/716455176.db2.gz BTDHFNKUYBPJMJ-HNNXBMFYSA-N 0 0 344.371 2.980 10 5 EFBERN C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])c1ccnn1C ZINC000931559650 716972898 /nfs/dbraw/zinc/97/28/98/716972898.db2.gz HPCBRPCBHRRIDV-VIFPVBQESA-N 0 0 339.193 2.942 10 5 EFBERN COC/C(C)=C\C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000893618250 717693998 /nfs/dbraw/zinc/69/39/98/717693998.db2.gz PIHGDGDTJFHOOX-UITAMQMPSA-N 0 0 343.177 2.566 10 5 EFBERN CC(C)(C)C(=O)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000893618956 717709519 /nfs/dbraw/zinc/70/95/19/717709519.db2.gz IQBYIJUCZUKAIL-UHFFFAOYSA-N 0 0 343.177 2.589 10 5 EFBERN CCCCC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000102742779 717761723 /nfs/dbraw/zinc/76/17/23/717761723.db2.gz PDIJLOVQHCGSHC-AWEZNQCLSA-N 0 0 331.376 2.624 10 5 EFBERN CC(C)CC(=O)N[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000053934354 717889778 /nfs/dbraw/zinc/88/97/78/717889778.db2.gz IFTKPEICYXQJAL-MRXNPFEDSA-N 0 0 336.388 2.825 10 5 EFBERN O=C(C[C@@H]1CCCc2ccccc21)OCCn1cc([N+](=O)[O-])cn1 ZINC000177786328 718199630 /nfs/dbraw/zinc/19/96/30/718199630.db2.gz CYVRBTCTOIPQFM-AWEZNQCLSA-N 0 0 329.356 2.845 10 5 EFBERN Cc1cc(CNCc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000162160230 718224166 /nfs/dbraw/zinc/22/41/66/718224166.db2.gz CYFXEZNBEIJFMX-UHFFFAOYSA-N 0 0 326.150 2.944 10 5 EFBERN Cc1cnc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000926749676 718276278 /nfs/dbraw/zinc/27/62/78/718276278.db2.gz BLXFIIQWNHGKGK-UHFFFAOYSA-N 0 0 328.372 2.948 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000178194771 718300022 /nfs/dbraw/zinc/30/00/22/718300022.db2.gz FQKRKVMZVICJKX-ZDUSSCGKSA-N 0 0 335.404 2.907 10 5 EFBERN CCOc1cc(C(=O)OC2CC(COC)C2)c([N+](=O)[O-])cc1OC ZINC000893632263 718581825 /nfs/dbraw/zinc/58/18/25/718581825.db2.gz IBMIBPVPHAGALZ-UHFFFAOYSA-N 0 0 339.344 2.584 10 5 EFBERN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC000924219675 718647206 /nfs/dbraw/zinc/64/72/06/718647206.db2.gz KGXZXQSKOIQBEC-WBVHZDCISA-N 0 0 335.356 2.866 10 5 EFBERN O=C(OCCOc1ccccc1[N+](=O)[O-])[C@]12CCO[C@@H]1CCCC2 ZINC000924219671 718651539 /nfs/dbraw/zinc/65/15/39/718651539.db2.gz KGXZXQSKOIQBEC-NVXWUHKLSA-N 0 0 335.356 2.866 10 5 EFBERN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000006248840 718663082 /nfs/dbraw/zinc/66/30/82/718663082.db2.gz KHEJDFIYNIOYDB-UHFFFAOYSA-N 0 0 333.369 2.745 10 5 EFBERN CCC(CC)CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000311460286 718724146 /nfs/dbraw/zinc/72/41/46/718724146.db2.gz DSJPFTNLDMCNRU-UHFFFAOYSA-N 0 0 330.182 2.918 10 5 EFBERN CC(C)SCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000311554118 718757817 /nfs/dbraw/zinc/75/78/17/718757817.db2.gz QGYRLNMHTZKLJD-UHFFFAOYSA-N 0 0 348.222 2.624 10 5 EFBERN Cn1c2ccccc2c(N2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1=O ZINC000892821096 719213760 /nfs/dbraw/zinc/21/37/60/719213760.db2.gz BNAMOHCEWOARFX-GJZGRUSLSA-N 0 0 343.383 2.595 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(C(C)(C)C)ccc1=O ZINC000066792505 719317455 /nfs/dbraw/zinc/31/74/55/719317455.db2.gz XCFHEHLFYDTYIM-GFCCVEGCSA-N 0 0 342.399 2.858 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(C(C)(C)C)ccc1=O ZINC000066792506 719317483 /nfs/dbraw/zinc/31/74/83/719317483.db2.gz XCFHEHLFYDTYIM-LBPRGKRZSA-N 0 0 342.399 2.858 10 5 EFBERN CS[C@H]1CC[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000866884340 719677933 /nfs/dbraw/zinc/67/79/33/719677933.db2.gz FORFMUHMFNNASQ-IUCAKERBSA-N 0 0 336.460 2.527 10 5 EFBERN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)OCCn1ccc([N+](=O)[O-])n1 ZINC000924258237 719940378 /nfs/dbraw/zinc/94/03/78/719940378.db2.gz WVFLRJGMBKVTSN-CABCVRRESA-N 0 0 329.356 2.603 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2c3ccccc3CC[C@@H]2F)n1 ZINC000893726699 720063027 /nfs/dbraw/zinc/06/30/27/720063027.db2.gz XIPXOMBOPGTTCE-SWLSCSKDSA-N 0 0 333.319 2.994 10 5 EFBERN C[C@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000893807645 720095751 /nfs/dbraw/zinc/09/57/51/720095751.db2.gz VIXJPXHHZYONHY-GOSISDBHSA-N 0 0 344.342 2.952 10 5 EFBERN CC[C@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000893856016 720126167 /nfs/dbraw/zinc/12/61/67/720126167.db2.gz ZQHICNGINURGLL-MFKMUULPSA-N 0 0 340.351 2.678 10 5 EFBERN CC[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000893861515 720128169 /nfs/dbraw/zinc/12/81/69/720128169.db2.gz MGJWBPIHKPOMTQ-ZANVPECISA-N 0 0 328.315 2.808 10 5 EFBERN CCNc1ccc(C(=O)N[C@H](CC)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000893868033 720132380 /nfs/dbraw/zinc/13/23/80/720132380.db2.gz YODPUJPHYKSRTE-UONOGXRCSA-N 0 0 335.404 2.962 10 5 EFBERN C[C@H]1Cn2nccc2N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000893880946 720140103 /nfs/dbraw/zinc/14/01/03/720140103.db2.gz NNUYTHIRSVTZCB-BYCMXARLSA-N 0 0 326.356 2.578 10 5 EFBERN C[C@@H]1Cn2nccc2N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000893892639 720152928 /nfs/dbraw/zinc/15/29/28/720152928.db2.gz AJIHAOKYCLYJDK-JTQLQIEISA-N 0 0 326.312 2.834 10 5 EFBERN C[C@H]1Cn2nccc2N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000893892640 720153039 /nfs/dbraw/zinc/15/30/39/720153039.db2.gz AJIHAOKYCLYJDK-SNVBAGLBSA-N 0 0 326.312 2.834 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC000893908941 720165821 /nfs/dbraw/zinc/16/58/21/720165821.db2.gz GMYXSMRZGVBAOM-LBPRGKRZSA-N 0 0 334.372 2.825 10 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EFBERN O=C(Cc1ccc(Cl)cn1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001570747747 1086498246 /nfs/dbraw/zinc/49/82/46/1086498246.db2.gz WRFBACXGKRHXSJ-UHFFFAOYSA-N 0 0 341.701 2.780 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)c1ncco1 ZINC001570758452 1086504629 /nfs/dbraw/zinc/50/46/29/1086504629.db2.gz QONPSNMTJMMFQG-CQSZACIVSA-N 0 0 340.339 2.635 10 5 EFBERN O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1ccc([N+](=O)[O-])cn1 ZINC001570761271 1086507246 /nfs/dbraw/zinc/50/72/46/1086507246.db2.gz HBTWLRKQZUKISS-HNNXBMFYSA-N 0 0 338.323 2.692 10 5 EFBERN Cc1ccc([C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC001570840480 1086559792 /nfs/dbraw/zinc/55/97/92/1086559792.db2.gz JYQWHNBGCDITPV-SNVBAGLBSA-N 0 0 345.233 2.630 10 5 EFBERN O=C(Nc1ccccc1-c1cc[nH]n1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001570864759 1086577691 /nfs/dbraw/zinc/57/76/91/1086577691.db2.gz LFDMSWSDYGKJLY-UHFFFAOYSA-N 0 0 332.707 2.614 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CCC(=O)CC23CCC3)cc1[N+](=O)[O-] ZINC001570880969 1086581494 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2.767 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2N)[nH]n1 ZINC001647859863 1089897452 /nfs/dbraw/zinc/89/74/52/1089897452.db2.gz RQLDGGVDFQUKAV-ZDUSSCGKSA-N 0 0 329.360 2.576 10 5 EFBERN C[C@@]1(CO)CN(CCOc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC001647946642 1089919856 /nfs/dbraw/zinc/91/98/56/1089919856.db2.gz DEZWEXNSEAQIIB-SFHVURJKSA-N 0 0 344.367 2.624 10 5 EFBERN O=[N+]([O-])c1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c(Cl)c1 ZINC001648000850 1089925383 /nfs/dbraw/zinc/92/53/83/1089925383.db2.gz QJRWRCDHFFRVBK-IAGOWNOFSA-N 0 0 348.786 2.872 10 5 EFBERN Cc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001648020502 1089930959 /nfs/dbraw/zinc/93/09/59/1089930959.db2.gz UTPABNVIBHFMIB-QGZVFWFLSA-N 0 0 345.355 2.809 10 5 EFBERN CN(C(=O)CN[C@H](CF)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001648100422 1089941768 /nfs/dbraw/zinc/94/17/68/1089941768.db2.gz WIPCZPRSQRYCGO-MRXNPFEDSA-N 0 0 349.337 2.997 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@H]2CCSC3(CCC3)C2)c1[N+](=O)[O-] ZINC001648245353 1089966749 /nfs/dbraw/zinc/96/67/49/1089966749.db2.gz AKNIWFQKUDIDRR-JTQLQIEISA-N 0 0 338.433 2.989 10 5 EFBERN CC[S@](=O)c1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001648296045 1089971859 /nfs/dbraw/zinc/97/18/59/1089971859.db2.gz UDKIBLJZKSRKES-DEOSSOPVSA-N 0 0 347.396 2.865 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)s1 ZINC001648296073 1089973887 /nfs/dbraw/zinc/97/38/87/1089973887.db2.gz UQHXSQAENOJKCY-UHFFFAOYSA-N 0 0 335.341 2.586 10 5 EFBERN CCC(=O)NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001648323835 1089981624 /nfs/dbraw/zinc/98/16/24/1089981624.db2.gz CDZCKFXZESKGSM-UHFFFAOYSA-N 0 0 325.796 2.739 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)Cc1ccoc1 ZINC001583052976 1091886966 /nfs/dbraw/zinc/88/69/66/1091886966.db2.gz USDOAVRFLOEWRV-UHFFFAOYSA-N 0 0 335.291 2.558 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC001583085619 1091896812 /nfs/dbraw/zinc/89/68/12/1091896812.db2.gz YDDJPMJYABMBEP-MRXNPFEDSA-N 0 0 342.351 2.937 10 5 EFBERN CC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC001583105084 1091899611 /nfs/dbraw/zinc/89/96/11/1091899611.db2.gz VYFLOCDUIJPAKZ-WCQYABFASA-N 0 0 341.795 2.908 10 5 EFBERN CN(C[C@@H]1CCCCO1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001583100509 1091899718 /nfs/dbraw/zinc/89/97/18/1091899718.db2.gz JWZWVTZFYQLRIN-LBPRGKRZSA-N 0 0 326.780 2.818 10 5 EFBERN COc1cccc([C@H](C)C(=O)Nc2ncc([N+](=O)[O-])cc2OC)c1 ZINC001583232080 1091939641 /nfs/dbraw/zinc/93/96/41/1091939641.db2.gz XHSKSQKKRKBVQM-JTQLQIEISA-N 0 0 331.328 2.749 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001583231147 1091939654 /nfs/dbraw/zinc/93/96/54/1091939654.db2.gz IYANLYWZQFQJMP-VIFPVBQESA-N 0 0 335.291 2.544 10 5 EFBERN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001583291167 1091953498 /nfs/dbraw/zinc/95/34/98/1091953498.db2.gz CBRKIHVCCYOLMA-AWEZNQCLSA-N 0 0 344.302 2.912 10 5 EFBERN COCc1ccccc1OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC001583328582 1091966818 /nfs/dbraw/zinc/96/68/18/1091966818.db2.gz DWVFCQQUNWWBCZ-UHFFFAOYSA-N 0 0 347.323 2.734 10 5 EFBERN O=C(C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)c1ccc(F)cc1 ZINC001583360536 1091977366 /nfs/dbraw/zinc/97/73/66/1091977366.db2.gz JMLDKIRAEUISKX-UHFFFAOYSA-N 0 0 332.262 2.645 10 5 EFBERN CCc1c(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cnn1CC ZINC001583361091 1091977838 /nfs/dbraw/zinc/97/78/38/1091977838.db2.gz QZWVWUVNEFTKHT-UHFFFAOYSA-N 0 0 332.335 2.716 10 5 EFBERN CN(Cc1ccns1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001583362169 1091978009 /nfs/dbraw/zinc/97/80/09/1091978009.db2.gz UDHJWOZUSFVHGQ-UHFFFAOYSA-N 0 0 343.311 2.925 10 5 EFBERN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001583393713 1091989156 /nfs/dbraw/zinc/98/91/56/1091989156.db2.gz HJGFABFVPQEOED-BETUJISGSA-N 0 0 349.431 2.787 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1nccn1C(F)F ZINC001583589630 1092046887 /nfs/dbraw/zinc/04/68/87/1092046887.db2.gz FNHUCHLBRGNKNX-UHFFFAOYSA-N 0 0 340.286 2.515 10 5 EFBERN COC(=O)[C@@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001583663714 1092056188 /nfs/dbraw/zinc/05/61/88/1092056188.db2.gz BDSMTRQXABPMKN-NSHDSACASA-N 0 0 343.339 2.827 10 5 EFBERN O=C(Nc1nocc1C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001583703440 1092058399 /nfs/dbraw/zinc/05/83/99/1092058399.db2.gz PDOCFVRMZJBXOZ-UHFFFAOYSA-N 0 0 339.311 2.898 10 5 EFBERN COc1cc(C(N)=O)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001583725263 1092062823 /nfs/dbraw/zinc/06/28/23/1092062823.db2.gz YIGDZBNBKAUSSD-UHFFFAOYSA-N 0 0 349.730 2.608 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1nc2n(n1)CCCC2 ZINC001583788355 1092069439 /nfs/dbraw/zinc/06/94/39/1092069439.db2.gz YAWKERNDUAUPRM-UHFFFAOYSA-N 0 0 349.778 2.747 10 5 EFBERN CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001583826380 1092074113 /nfs/dbraw/zinc/07/41/13/1092074113.db2.gz ZZUWIDUIMHMIRE-CQSZACIVSA-N 0 0 335.404 2.685 10 5 EFBERN CC[C@H](NC(=O)COCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC001583851649 1092077047 /nfs/dbraw/zinc/07/70/47/1092077047.db2.gz GENWCXLIBKGOCU-INIZCTEOSA-N 0 0 329.356 2.774 10 5 EFBERN Cc1nn(CCC(=O)Nc2ccc3c(n2)CCCC3)c(C)c1[N+](=O)[O-] ZINC001583865392 1092078313 /nfs/dbraw/zinc/07/83/13/1092078313.db2.gz OBVVXKXHOXDDBB-UHFFFAOYSA-N 0 0 343.387 2.711 10 5 EFBERN Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1S(C)(=O)=O ZINC001583943007 1092088944 /nfs/dbraw/zinc/08/89/44/1092088944.db2.gz KHLIRTRKMSYIJJ-UHFFFAOYSA-N 0 0 340.382 2.621 10 5 EFBERN CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001583976478 1092093040 /nfs/dbraw/zinc/09/30/40/1092093040.db2.gz KPXLOQDSJJMNCJ-GFCCVEGCSA-N 0 0 326.780 2.818 10 5 EFBERN O=C(NCCC1CC=CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001584119130 1092113614 /nfs/dbraw/zinc/11/36/14/1092113614.db2.gz ORIDLBWMJOILAO-MRXNPFEDSA-N 0 0 329.356 2.560 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Oc1ccc2nccnc2c1 ZINC001584143878 1092117662 /nfs/dbraw/zinc/11/76/62/1092117662.db2.gz URYOZVFVUMDVNS-UHFFFAOYSA-N 0 0 327.271 2.825 10 5 EFBERN C[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001584212496 1092128181 /nfs/dbraw/zinc/12/81/81/1092128181.db2.gz CCMPVDNDRKZLMQ-LLVKDONJSA-N 0 0 337.376 2.687 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001584295140 1092139301 /nfs/dbraw/zinc/13/93/01/1092139301.db2.gz WUJRUOZQYFHRPX-CZUORRHYSA-N 0 0 346.314 2.805 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001584295141 1092139843 /nfs/dbraw/zinc/13/98/43/1092139843.db2.gz WUJRUOZQYFHRPX-XJKSGUPXSA-N 0 0 346.314 2.805 10 5 EFBERN Cc1ncsc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001584325938 1092145603 /nfs/dbraw/zinc/14/56/03/1092145603.db2.gz OPPJXWYMAVRNFX-UHFFFAOYSA-N 0 0 329.341 2.798 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(C(F)(F)F)nc1 ZINC001584459015 1092179102 /nfs/dbraw/zinc/17/91/02/1092179102.db2.gz LWBLOWKTTWEBOA-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN CSc1ccc(C(=O)N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001584482751 1092182946 /nfs/dbraw/zinc/18/29/46/1092182946.db2.gz PYORGXJFLBKLNT-FRRDWIJNSA-N 0 0 336.413 2.550 10 5 EFBERN CCC1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001299159549 1092211367 /nfs/dbraw/zinc/21/13/67/1092211367.db2.gz YIPRTPWGSNWAPW-UHFFFAOYSA-N 0 0 325.368 2.981 10 5 EFBERN CC(C)(C)OC(=O)C1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCCC1 ZINC001648409271 1092211608 /nfs/dbraw/zinc/21/16/08/1092211608.db2.gz DQQFDFJCHTUOGJ-UHFFFAOYSA-N 0 0 337.376 2.697 10 5 EFBERN CNc1c(C(=O)Nc2ccc3c(c2)COC(=O)N3)cccc1[N+](=O)[O-] ZINC001584624793 1092222688 /nfs/dbraw/zinc/22/26/88/1092222688.db2.gz CFCRURWZHJQWCB-UHFFFAOYSA-N 0 0 342.311 2.951 10 5 EFBERN COc1cncc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC001584636147 1092228988 /nfs/dbraw/zinc/22/89/88/1092228988.db2.gz VYHWYTFIRBSCKC-UHFFFAOYSA-N 0 0 346.346 2.732 10 5 EFBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC(Oc2ccncc2)C1 ZINC001648531313 1092230506 /nfs/dbraw/zinc/23/05/06/1092230506.db2.gz SNXIJVYUYCADER-UHFFFAOYSA-N 0 0 333.731 2.547 10 5 EFBERN COC(=O)c1coc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC001584644639 1092232469 /nfs/dbraw/zinc/23/24/69/1092232469.db2.gz NQTVHQHLBHQMSW-UHFFFAOYSA-N 0 0 341.279 2.775 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2[C@@H]2CCCO2)c1 ZINC001648617757 1092240237 /nfs/dbraw/zinc/24/02/37/1092240237.db2.gz VVUXQVUPZKVWOO-IRXDYDNUSA-N 0 0 348.399 2.915 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(c2cnccn2)[C@@H](C)C1 ZINC001648665068 1092249804 /nfs/dbraw/zinc/24/98/04/1092249804.db2.gz HPDNEFNCXCIHJW-LSDHHAIUSA-N 0 0 341.415 2.965 10 5 EFBERN CCc1ccc(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)OC)cc1[N+](=O)[O-] ZINC001584757413 1092272387 /nfs/dbraw/zinc/27/23/87/1092272387.db2.gz HWOLGVMNSDUYPA-FZMZJTMJSA-N 0 0 336.388 2.865 10 5 EFBERN O=C(NC[C@H]1CSc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC001584786335 1092286766 /nfs/dbraw/zinc/28/67/66/1092286766.db2.gz BLTASXBGPWFGSM-ZDUSSCGKSA-N 0 0 330.365 2.878 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC001584800686 1092290491 /nfs/dbraw/zinc/29/04/91/1092290491.db2.gz XLRBXDWZIGDQTF-UHFFFAOYSA-N 0 0 346.318 2.669 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cnccc1-c1ccccc1 ZINC001584871485 1092314027 /nfs/dbraw/zinc/31/40/27/1092314027.db2.gz ARCVLMUFNXEWQW-UHFFFAOYSA-N 0 0 337.339 2.800 10 5 EFBERN Cc1cnc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001584955974 1092338150 /nfs/dbraw/zinc/33/81/50/1092338150.db2.gz IABUEHRMBWGOQI-VMPITWQZSA-N 0 0 325.368 2.979 10 5 EFBERN CSc1ccc(C(=O)Nc2cc(C)ccc2C(N)=O)cc1[N+](=O)[O-] ZINC001584960152 1092338750 /nfs/dbraw/zinc/33/87/50/1092338750.db2.gz JVWODESGEGMWQN-UHFFFAOYSA-N 0 0 345.380 2.976 10 5 EFBERN COc1c(C)cccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001584979901 1092344056 /nfs/dbraw/zinc/34/40/56/1092344056.db2.gz SBNABYOMOPDZOM-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN CCOC(=O)c1cc(C(=O)Nc2nc(C)c(C)o2)cc([N+](=O)[O-])c1 ZINC001584988048 1092346185 /nfs/dbraw/zinc/34/61/85/1092346185.db2.gz DGZQVAUPOPTWNH-UHFFFAOYSA-N 0 0 333.300 2.629 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1Cc2ccccc2C1 ZINC001585007206 1092350516 /nfs/dbraw/zinc/35/05/16/1092350516.db2.gz HBVYRZXHNMOVQR-UHFFFAOYSA-N 0 0 344.392 2.835 10 5 EFBERN COc1cc(C(=O)Nc2cc3cc[nH]c3cn2)c([N+](=O)[O-])cc1F ZINC001585014218 1092351765 /nfs/dbraw/zinc/35/17/65/1092351765.db2.gz VTPRVLOEFSPDBG-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccon3)cc2)n1 ZINC001585073673 1092362562 /nfs/dbraw/zinc/36/25/62/1092362562.db2.gz FHVOBLUSIISRTM-UHFFFAOYSA-N 0 0 327.300 2.719 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC(Oc2ccccc2)C1 ZINC001585075371 1092362746 /nfs/dbraw/zinc/36/27/46/1092362746.db2.gz RHJFTHCCOISIAD-UHFFFAOYSA-N 0 0 330.315 2.566 10 5 EFBERN Cc1nc(-c2ccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])cc2)co1 ZINC001585130363 1092379687 /nfs/dbraw/zinc/37/96/87/1092379687.db2.gz FFYJBULCKRPLEG-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H]1CO ZINC001585224553 1092411407 /nfs/dbraw/zinc/41/14/07/1092411407.db2.gz SIGXCEKEGMMWTP-CYBMUJFWSA-N 0 0 328.324 2.594 10 5 EFBERN Cc1cnc(COC(=O)c2ccc(NC3CC3)nc2)c(C)c1[N+](=O)[O-] ZINC001585240400 1092416043 /nfs/dbraw/zinc/41/60/43/1092416043.db2.gz PUQYUSZQTOXNGL-UHFFFAOYSA-N 0 0 342.355 2.933 10 5 EFBERN CSc1ccc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001585243057 1092417423 /nfs/dbraw/zinc/41/74/23/1092417423.db2.gz APFUHOLYBQQDMW-UHFFFAOYSA-N 0 0 345.380 2.976 10 5 EFBERN CC(C)(C)c1ncsc1C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001585244276 1092420151 /nfs/dbraw/zinc/42/01/51/1092420151.db2.gz VCBAVJFVWYNBRS-UHFFFAOYSA-N 0 0 348.384 2.700 10 5 EFBERN CC(C)Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cs1 ZINC001585244203 1092420352 /nfs/dbraw/zinc/42/03/52/1092420352.db2.gz ROBPLGMSRPGHON-UHFFFAOYSA-N 0 0 348.384 2.601 10 5 EFBERN Cc1cc(Cl)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001585244173 1092420488 /nfs/dbraw/zinc/42/04/88/1092420488.db2.gz QATHNZWBBXLZBT-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN C[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001585250010 1092421762 /nfs/dbraw/zinc/42/17/62/1092421762.db2.gz ZQYYDUVQDUUFAV-NSHDSACASA-N 0 0 327.340 2.511 10 5 EFBERN Cn1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001585265303 1092426318 /nfs/dbraw/zinc/42/63/18/1092426318.db2.gz WRKFIFAZCFRINX-UHFFFAOYSA-N 0 0 328.250 2.528 10 5 EFBERN CC(C)C(C)(C)CNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001585268817 1092428505 /nfs/dbraw/zinc/42/85/05/1092428505.db2.gz UXFCDXXXUKRZBP-UHFFFAOYSA-N 0 0 345.403 2.647 10 5 EFBERN CC(C)n1[nH]cnc1=NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001585320049 1092446459 /nfs/dbraw/zinc/44/64/59/1092446459.db2.gz FHOHCABHMQPRMF-UHFFFAOYSA-N 0 0 331.357 2.656 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC001585326646 1092449301 /nfs/dbraw/zinc/44/93/01/1092449301.db2.gz RWEDPXDLYTXXLM-SGIREYDYSA-N 0 0 343.770 2.899 10 5 EFBERN O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1c(F)cccc1[N+](=O)[O-] ZINC001585349059 1092456568 /nfs/dbraw/zinc/45/65/68/1092456568.db2.gz YEUGJMPBSFKPPL-DIOULYMOSA-N 0 0 330.290 2.941 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)c1cc([N+](=O)[O-])ccc1Cl ZINC001585352514 1092457509 /nfs/dbraw/zinc/45/75/09/1092457509.db2.gz JRENHPQZZZVWHL-UHFFFAOYSA-N 0 0 332.743 2.904 10 5 EFBERN CN(C)c1cc(F)cc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC001585380964 1092466789 /nfs/dbraw/zinc/46/67/89/1092466789.db2.gz XGQXUNMEMTVNEV-UHFFFAOYSA-N 0 0 333.319 2.817 10 5 EFBERN Cc1cc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(C)n1 ZINC001585399063 1092473305 /nfs/dbraw/zinc/47/33/05/1092473305.db2.gz ODKJIFAHEIJFJK-UHFFFAOYSA-N 0 0 338.367 2.947 10 5 EFBERN COC(=O)/C=C\c1ccc(NCC2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000588491392 1092504620 /nfs/dbraw/zinc/50/46/20/1092504620.db2.gz ATBBXEKFZZZQHC-ALCCZGGFSA-N 0 0 334.372 2.746 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC001585524173 1092510191 /nfs/dbraw/zinc/51/01/91/1092510191.db2.gz QFDTWBNPSVFSSI-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)C(F)(F)c1cccc(Cl)c1 ZINC001585611776 1092523285 /nfs/dbraw/zinc/52/32/85/1092523285.db2.gz LAJHRMJZDXHLRP-UHFFFAOYSA-N 0 0 330.678 2.712 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(F)c(F)cc2F)c1[N+](=O)[O-] ZINC001585614269 1092523966 /nfs/dbraw/zinc/52/39/66/1092523966.db2.gz IQCRHMSIJZNDGD-UHFFFAOYSA-N 0 0 326.234 2.701 10 5 EFBERN CCc1cccc2c(CC(=O)Nc3c([N+](=O)[O-])cnn3C)c[nH]c21 ZINC001585616179 1092524125 /nfs/dbraw/zinc/52/41/25/1092524125.db2.gz BHKNZZQXAZGIBJ-UHFFFAOYSA-N 0 0 327.344 2.553 10 5 EFBERN CN(CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccc1 ZINC001649493177 1092533371 /nfs/dbraw/zinc/53/33/71/1092533371.db2.gz XLOUBHMENYCUPS-UHFFFAOYSA-N 0 0 343.309 2.895 10 5 EFBERN CCS[C@@H]1CCCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001585730643 1092557469 /nfs/dbraw/zinc/55/74/69/1092557469.db2.gz UQPZJVLLLSEJRH-MRVPVSSYSA-N 0 0 332.813 2.719 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccn(C(F)F)n1 ZINC001585840787 1092592573 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O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1C1CCC1 ZINC001585928448 1092623514 /nfs/dbraw/zinc/62/35/14/1092623514.db2.gz YMWZLIRNEUXWQL-UHFFFAOYSA-N 0 0 329.360 2.957 10 5 EFBERN O=C(Cc1ccc(F)c(F)c1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586034848 1092661587 /nfs/dbraw/zinc/66/15/87/1092661587.db2.gz JHHTUEUPHFYQIW-UHFFFAOYSA-N 0 0 338.222 2.929 10 5 EFBERN Cc1nc(-c2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)cs1 ZINC001586039774 1092664419 /nfs/dbraw/zinc/66/44/19/1092664419.db2.gz ABEHZYLXCCKORC-UHFFFAOYSA-N 0 0 343.368 2.680 10 5 EFBERN O=C(/C=C/c1ccco1)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001670738320 1092684953 /nfs/dbraw/zinc/68/49/53/1092684953.db2.gz DTTRSHNYXFMNRY-ONEGZZNKSA-N 0 0 347.396 2.701 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2cc3cc[nH]c3cn2)cc1[N+](=O)[O-] ZINC001586241750 1092715388 /nfs/dbraw/zinc/71/53/88/1092715388.db2.gz ULFPVMICGJFNCG-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN CCc1nccc(C)c1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001586242230 1092715844 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Cc1cc2nccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n2n1 ZINC001587124984 1092784449 /nfs/dbraw/zinc/78/44/49/1092784449.db2.gz VOSPCOVHCVUTCH-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(F)cc1 ZINC001587228873 1092792533 /nfs/dbraw/zinc/79/25/33/1092792533.db2.gz JYXQATIMDKCKLF-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C(N)=O)cc2)c1C ZINC001587250708 1092794508 /nfs/dbraw/zinc/79/45/08/1092794508.db2.gz CVPNNANCAYYBRB-UHFFFAOYSA-N 0 0 341.367 2.583 10 5 EFBERN CC1(C)OC[C@H](/C=C/C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)O1 ZINC001587259689 1092794956 /nfs/dbraw/zinc/79/49/56/1092794956.db2.gz CVZLORGRJUNRHO-OFAQMXQXSA-N 0 0 348.399 2.741 10 5 EFBERN C[C@@](CO)(NC(=O)c1coc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001587295840 1092799798 /nfs/dbraw/zinc/79/97/98/1092799798.db2.gz ACVUGGCNQHUPMT-SFHVURJKSA-N 0 0 340.335 2.979 10 5 EFBERN COc1cc(C(=O)NCc2ccc([C@@H](C)O)cc2)c([N+](=O)[O-])cc1F ZINC001587328453 1092801457 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O=C(Nc1cccc2nsnc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001587464990 1092814474 /nfs/dbraw/zinc/81/44/74/1092814474.db2.gz DCTZYTHXAAFVBR-UHFFFAOYSA-N 0 0 344.308 2.581 10 5 EFBERN Cc1ccc(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC001587559665 1092822851 /nfs/dbraw/zinc/82/28/51/1092822851.db2.gz HUNBEMSWLNOHCM-ZDUSSCGKSA-N 0 0 347.415 2.604 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@H]1CCOC1)C1CC1 ZINC001587611113 1092830466 /nfs/dbraw/zinc/83/04/66/1092830466.db2.gz JDVQVELAHBRBHZ-GFCCVEGCSA-N 0 0 338.791 2.818 10 5 EFBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccc(Cl)cc21 ZINC001587641968 1092836109 /nfs/dbraw/zinc/83/61/09/1092836109.db2.gz WKOYZQKPVYOMRG-OAHLLOKOSA-N 0 0 332.743 2.871 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(F)cc2C(N)=O)c1 ZINC001587665514 1092838678 /nfs/dbraw/zinc/83/86/78/1092838678.db2.gz LPHLUDIQEMDCGV-UHFFFAOYSA-N 0 0 335.266 2.533 10 5 EFBERN NC(=O)c1cc(F)c(F)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001587665430 1092839142 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EFBERN Cc1nc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001587805042 1092854804 /nfs/dbraw/zinc/85/48/04/1092854804.db2.gz HVPSFHCKSLZSKR-LLVKDONJSA-N 0 0 334.401 2.732 10 5 EFBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC001587890511 1092866071 /nfs/dbraw/zinc/86/60/71/1092866071.db2.gz KYDJNGWAVADLKP-ZDUSSCGKSA-N 0 0 349.387 2.654 10 5 EFBERN Cc1cc(OCC(=O)Nc2cc(CC3CC3)[nH]n2)ccc1[N+](=O)[O-] ZINC001587901606 1092867308 /nfs/dbraw/zinc/86/73/08/1092867308.db2.gz CFGSBGINJHSGJP-UHFFFAOYSA-N 0 0 330.344 2.596 10 5 EFBERN O=C([C@H]1Cc2cc(F)ccc2O1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001587946303 1092872028 /nfs/dbraw/zinc/87/20/28/1092872028.db2.gz PUCHSRCAZPTYKM-OAHLLOKOSA-N 0 0 346.289 2.766 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2cnccc2o1 ZINC001587997524 1092881803 /nfs/dbraw/zinc/88/18/03/1092881803.db2.gz UISROMMKWHMAAR-UHFFFAOYSA-N 0 0 326.312 2.708 10 5 EFBERN O=C(N[C@H](Cc1cccnc1)C1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001588089995 1092889886 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EFBERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc(O)ccc1Cl ZINC001589310204 1093070772 /nfs/dbraw/zinc/07/07/72/1093070772.db2.gz ZLYNGVKFXVFKHG-UHFFFAOYSA-N 0 0 336.731 2.649 10 5 EFBERN CC(=O)N(C)c1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000785148978 1093110467 /nfs/dbraw/zinc/11/04/67/1093110467.db2.gz YFZQWVAMSMYTIQ-UHFFFAOYSA-N 0 0 328.324 2.935 10 5 EFBERN C[C@@H](COc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001125630499 1093134687 /nfs/dbraw/zinc/13/46/87/1093134687.db2.gz WRIIEQFXYNZFIL-LBPRGKRZSA-N 0 0 332.331 2.860 10 5 EFBERN C[C@H](COc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001125630498 1093135005 /nfs/dbraw/zinc/13/50/05/1093135005.db2.gz WRIIEQFXYNZFIL-GFCCVEGCSA-N 0 0 332.331 2.860 10 5 EFBERN CN(CCNC(=O)c1c[nH]cc1C1CC1)Cc1csc([N+](=O)[O-])c1 ZINC001267225150 1093268656 /nfs/dbraw/zinc/26/86/56/1093268656.db2.gz QDKAHTAVCQWUHM-UHFFFAOYSA-N 0 0 348.428 2.724 10 5 EFBERN NC(=O)c1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1F ZINC001125648855 1093269637 /nfs/dbraw/zinc/26/96/37/1093269637.db2.gz CKBGZXUZENLUHT-UHFFFAOYSA-N 0 0 349.293 2.543 10 5 EFBERN CN(CCNC(=O)C1CCC=CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267230450 1093290271 /nfs/dbraw/zinc/29/02/71/1093290271.db2.gz OKHQGSWUGNYLBY-UHFFFAOYSA-N 0 0 331.416 2.889 10 5 EFBERN CCN(CCNC(=O)c1cccc(C)n1)Cc1csc([N+](=O)[O-])c1 ZINC001267235423 1093310738 /nfs/dbraw/zinc/31/07/38/1093310738.db2.gz BQSPQQUKAVAHDD-UHFFFAOYSA-N 0 0 348.428 2.612 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])c1cc(F)c([N+](=O)[O-])cc1CO ZINC001650606624 1093465158 /nfs/dbraw/zinc/46/51/58/1093465158.db2.gz OVPZHILSSYGHRG-UHFFFAOYSA-N 0 0 335.291 2.771 10 5 EFBERN Cc1ncc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])s1 ZINC001650683195 1093482236 /nfs/dbraw/zinc/48/22/36/1093482236.db2.gz FUCVWEYQRHISBE-UHFFFAOYSA-N 0 0 345.340 2.850 10 5 EFBERN COCCN(C)c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001650691198 1093483793 /nfs/dbraw/zinc/48/37/93/1093483793.db2.gz UPAJBLHGZRDPJS-UHFFFAOYSA-N 0 0 340.177 2.988 10 5 EFBERN Cc1n[nH]c(C(=O)N2CCC(c3ccc(Cl)cn3)CC2)c1[N+](=O)[O-] ZINC001650742255 1093489638 /nfs/dbraw/zinc/48/96/38/1093489638.db2.gz LXKVNEZFGNJDFE-UHFFFAOYSA-N 0 0 349.778 2.695 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3cccc(CO)c3)c2c1 ZINC001650735379 1093489644 /nfs/dbraw/zinc/48/96/44/1093489644.db2.gz PPHUORWJTIKIIU-UHFFFAOYSA-N 0 0 339.351 2.678 10 5 EFBERN CCC1(CC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)COC1 ZINC001650749404 1093491611 /nfs/dbraw/zinc/49/16/11/1093491611.db2.gz JWGTZCXGARGJAS-UHFFFAOYSA-N 0 0 330.344 2.740 10 5 EFBERN O=C(N[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC001650785424 1093494435 /nfs/dbraw/zinc/49/44/35/1093494435.db2.gz XSGVFTWTHGXCNL-OAHLLOKOSA-N 0 0 325.368 2.994 10 5 EFBERN NC(=O)N1CCC[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001650806227 1093495561 /nfs/dbraw/zinc/49/55/61/1093495561.db2.gz PKYFOXHAHUHWEB-QMMMGPOBSA-N 0 0 332.282 2.569 10 5 EFBERN CCOC(=O)c1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)o1 ZINC001650814230 1093496848 /nfs/dbraw/zinc/49/68/48/1093496848.db2.gz YDBWJMIVZVNNIV-UHFFFAOYSA-N 0 0 338.291 2.608 10 5 EFBERN Cc1nc(NCc2nccn2CCc2ccccc2)ncc1[N+](=O)[O-] ZINC001650834383 1093498312 /nfs/dbraw/zinc/49/83/12/1093498312.db2.gz FUPSOAGMCCKDPH-UHFFFAOYSA-N 0 0 338.371 2.745 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2Cc3cncnc3[C@H](C)C2)c1 ZINC001650868870 1093503011 /nfs/dbraw/zinc/50/30/11/1093503011.db2.gz GSYSMFCBNYBXHJ-SNVBAGLBSA-N 0 0 344.396 2.866 10 5 EFBERN Cc1ccc(N(C)[C@H]2CCCN(c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC001650907028 1093506087 /nfs/dbraw/zinc/50/60/87/1093506087.db2.gz OANDGHHIWFFAIO-HNNXBMFYSA-N 0 0 329.404 2.742 10 5 EFBERN O=c1cc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)cc[nH]1 ZINC001650932240 1093511812 /nfs/dbraw/zinc/51/18/12/1093511812.db2.gz JDIXQHASJVVSIR-UHFFFAOYSA-N 0 0 331.719 2.904 10 5 EFBERN Cc1ccc(CN(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])nc1 ZINC001651032802 1093519216 /nfs/dbraw/zinc/51/92/16/1093519216.db2.gz KQTJNTZCRXJARR-UHFFFAOYSA-N 0 0 338.367 2.787 10 5 EFBERN C[C@H]1COCC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651041790 1093520863 /nfs/dbraw/zinc/52/08/63/1093520863.db2.gz DQOVNVKGCXKAOB-QWRGUYRKSA-N 0 0 346.343 2.558 10 5 EFBERN COc1ccc(Cl)cc1[C@H](O)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC001651064751 1093522073 /nfs/dbraw/zinc/52/20/73/1093522073.db2.gz QELUDZHKJYGAIS-GFCCVEGCSA-N 0 0 338.751 2.501 10 5 EFBERN CN(Cc1nncn1C)c1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001651087306 1093525236 /nfs/dbraw/zinc/52/52/36/1093525236.db2.gz FCXKJGNZSREVAP-UHFFFAOYSA-N 0 0 332.751 2.561 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001651090529 1093525346 /nfs/dbraw/zinc/52/53/46/1093525346.db2.gz WMCWLAQZDGPTPL-SNVBAGLBSA-N 0 0 336.344 2.717 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC3CC(F)(F)C3)c2c1 ZINC001651090148 1093525583 /nfs/dbraw/zinc/52/55/83/1093525583.db2.gz JIGNGKRILCLSPI-UHFFFAOYSA-N 0 0 338.270 2.930 10 5 EFBERN O=C(c1ccccc1)c1ccc(NC[C@@H]2COCO2)c([N+](=O)[O-])c1 ZINC001651131532 1093529802 /nfs/dbraw/zinc/52/98/02/1093529802.db2.gz RQYKZVDAJJDNJT-CQSZACIVSA-N 0 0 328.324 2.611 10 5 EFBERN CCOc1ccc(C[C@@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC001651126123 1093530358 /nfs/dbraw/zinc/53/03/58/1093530358.db2.gz ODSNAVOBECQYCE-LLVKDONJSA-N 0 0 331.376 2.656 10 5 EFBERN COCC1(CCNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001651174934 1093535473 /nfs/dbraw/zinc/53/54/73/1093535473.db2.gz WVVBTRYRKBLWRJ-UHFFFAOYSA-N 0 0 346.343 2.702 10 5 EFBERN CC[C@@H](C)C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC ZINC001651182765 1093536614 /nfs/dbraw/zinc/53/66/14/1093536614.db2.gz VDLUAWNRZDHCMI-SKDRFNHKSA-N 0 0 325.321 2.893 10 5 EFBERN C[C@H](Cc1ccccn1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001651187227 1093536833 /nfs/dbraw/zinc/53/68/33/1093536833.db2.gz PRFZKXRSPFTMRW-GFCCVEGCSA-N 0 0 338.367 2.885 10 5 EFBERN COC(=O)c1nc(CNc2cc(C)c([N+](=O)[O-])cn2)ccc1Cl ZINC001651226596 1093542812 /nfs/dbraw/zinc/54/28/12/1093542812.db2.gz GJLGQRHUQLDKBZ-UHFFFAOYSA-N 0 0 336.735 2.745 10 5 EFBERN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(c2sccc2[N+](=O)[O-])C1 ZINC001651237177 1093544086 /nfs/dbraw/zinc/54/40/86/1093544086.db2.gz JADAGQUCMFFKBD-JGVFFNPUSA-N 0 0 338.307 2.834 10 5 EFBERN COc1cncc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c1 ZINC001651241024 1093544103 /nfs/dbraw/zinc/54/41/03/1093544103.db2.gz ZYLZBXNBJCNBLZ-UHFFFAOYSA-N 0 0 328.303 2.720 10 5 EFBERN NS(=O)(=O)c1cccc(Oc2cc(F)cc(Cl)c2)c1[N+](=O)[O-] ZINC001651282913 1093549335 /nfs/dbraw/zinc/54/93/35/1093549335.db2.gz BGGVFPLTFNEVHX-UHFFFAOYSA-N 0 0 346.723 2.827 10 5 EFBERN COC(=O)Cc1ccc(CNc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC001651286063 1093549592 /nfs/dbraw/zinc/54/95/92/1093549592.db2.gz PQQKOQAAQVZJLT-UHFFFAOYSA-N 0 0 340.339 2.570 10 5 EFBERN CCC[N@H+](CCNC(=O)c1ccn(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001267312097 1093552805 /nfs/dbraw/zinc/55/28/05/1093552805.db2.gz OZRQTUCVYWGPHN-UHFFFAOYSA-N 0 0 344.415 2.575 10 5 EFBERN O=C(NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001267331267 1093596821 /nfs/dbraw/zinc/59/68/21/1093596821.db2.gz COTYHALQVUOTMW-ZSHCYNCHSA-N 0 0 343.427 2.722 10 5 EFBERN C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)[C@@H](C)O1 ZINC001593694326 1094408935 /nfs/dbraw/zinc/40/89/35/1094408935.db2.gz QNEWFVCSJQMHCJ-GIPNMCIBSA-N 0 0 330.344 2.737 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(Cl)c1 ZINC001594558891 1094429812 /nfs/dbraw/zinc/42/98/12/1094429812.db2.gz VLBYPRDOBZSNHU-UHFFFAOYSA-N 0 0 339.710 2.605 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC001594694352 1094434664 /nfs/dbraw/zinc/43/46/64/1094434664.db2.gz YUMPDPUUEUHIEV-UHFFFAOYSA-N 0 0 347.183 2.870 10 5 EFBERN Cc1cc(C(=O)NCC(=O)N(C)C[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001595010735 1094449805 /nfs/dbraw/zinc/44/98/05/1094449805.db2.gz CFKHACGGUBUJDX-CYBMUJFWSA-N 0 0 349.431 2.774 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@H](CC)[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC001595021454 1094451552 /nfs/dbraw/zinc/45/15/52/1094451552.db2.gz UKAZZLOFYXKQEV-MLGOLLRUSA-N 0 0 346.387 2.512 10 5 EFBERN O=C(NCc1noc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC001595562797 1094476681 /nfs/dbraw/zinc/47/66/81/1094476681.db2.gz AKKXRFSLJYDJKF-UHFFFAOYSA-N 0 0 333.250 2.944 10 5 EFBERN C/C(=C/C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1cnccn1 ZINC001595560718 1094477171 /nfs/dbraw/zinc/47/71/71/1094477171.db2.gz SHEQUBYIWWZFMD-BENRWUELSA-N 0 0 326.356 2.840 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001595667313 1094482878 /nfs/dbraw/zinc/48/28/78/1094482878.db2.gz NNHGZUYMDZUVJX-SECBINFHSA-N 0 0 332.335 2.600 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(F)c(C(F)F)c1 ZINC001595726463 1094488422 /nfs/dbraw/zinc/48/84/22/1094488422.db2.gz PIHKJFUQOCURTE-UHFFFAOYSA-N 0 0 328.250 2.897 10 5 EFBERN CCNc1ccc(C(=O)Nc2c3nncn3ccc2C)cc1[N+](=O)[O-] ZINC001595733063 1094488484 /nfs/dbraw/zinc/48/84/84/1094488484.db2.gz MFSDYESGLMVYAH-UHFFFAOYSA-N 0 0 340.343 2.630 10 5 EFBERN Cc1ccc(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)o1 ZINC001595742216 1094489777 /nfs/dbraw/zinc/48/97/77/1094489777.db2.gz QMBITCJWXPVGML-UHFFFAOYSA-N 0 0 341.726 2.843 10 5 EFBERN COc1cc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)ccc1O ZINC001595743232 1094489951 /nfs/dbraw/zinc/48/99/51/1094489951.db2.gz WTHHUMQGKYSXGK-UHFFFAOYSA-N 0 0 330.340 2.856 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cccc(NCc2cncs2)c1 ZINC001595863633 1094499513 /nfs/dbraw/zinc/49/95/13/1094499513.db2.gz CDVZIESJHHLCOZ-UHFFFAOYSA-N 0 0 344.356 2.639 10 5 EFBERN COC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N(C)C ZINC001595863869 1094499527 /nfs/dbraw/zinc/49/95/27/1094499527.db2.gz XNUWUQUWPOGURY-UHFFFAOYSA-N 0 0 344.323 2.667 10 5 EFBERN Cc1c(CC(=O)Nc2c3c(ccc2F)OCO3)cccc1[N+](=O)[O-] ZINC001595923780 1094504718 /nfs/dbraw/zinc/50/47/18/1094504718.db2.gz NHRDNGIUDUEMJH-UHFFFAOYSA-N 0 0 332.287 2.952 10 5 EFBERN O=C(CCCF)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001267422722 1094506210 /nfs/dbraw/zinc/50/62/10/1094506210.db2.gz GYASBFSCSKHQIS-GASCZTMLSA-N 0 0 335.379 2.520 10 5 EFBERN O=C(N[C@H](CCCO)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC001595999535 1094508522 /nfs/dbraw/zinc/50/85/22/1094508522.db2.gz UZNJNJXXOCHLTP-CQSZACIVSA-N 0 0 332.331 2.978 10 5 EFBERN O=C(NCc1ccc[nH]c1=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001596034763 1094510040 /nfs/dbraw/zinc/51/00/40/1094510040.db2.gz ZYXSRZIMJIYOCH-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN COCC(C)(C)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001596103166 1094513478 /nfs/dbraw/zinc/51/34/78/1094513478.db2.gz IFVBGRILSJADHT-UHFFFAOYSA-N 0 0 331.372 2.733 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC001596160366 1094516628 /nfs/dbraw/zinc/51/66/28/1094516628.db2.gz FFJPYBHYINXDJC-ZCFIWIBFSA-N 0 0 344.249 2.796 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC001596160363 1094516840 /nfs/dbraw/zinc/51/68/40/1094516840.db2.gz FFJPYBHYINXDJC-LURJTMIESA-N 0 0 344.249 2.796 10 5 EFBERN Cc1cc(C(=O)NC[C@H]2CCC3(CCC3)CO2)c(N)c([N+](=O)[O-])c1 ZINC001596169393 1094517571 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EFBERN CC(=O)Nc1cccc2c1CN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC001596647446 1094540288 /nfs/dbraw/zinc/54/02/88/1094540288.db2.gz YKWIQLVLORHVQY-UHFFFAOYSA-N 0 0 339.351 2.752 10 5 EFBERN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)n1 ZINC001596665974 1094540815 /nfs/dbraw/zinc/54/08/15/1094540815.db2.gz BQSFPSJRAZMEIC-UHFFFAOYSA-N 0 0 331.719 2.796 10 5 EFBERN O=C(NC[C@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001596725608 1094544456 /nfs/dbraw/zinc/54/44/56/1094544456.db2.gz PPGRDBKUFOGYKF-OAHLLOKOSA-N 0 0 348.362 2.850 10 5 EFBERN CNc1nccc(C(=O)Nc2nc3ccc(C)nc3s2)c1[N+](=O)[O-] ZINC001596752676 1094545397 /nfs/dbraw/zinc/54/53/97/1094545397.db2.gz BYNFGORICUSYAU-UHFFFAOYSA-N 0 0 344.356 2.597 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](c2ncon2)C1 ZINC001596840999 1094549041 /nfs/dbraw/zinc/54/90/41/1094549041.db2.gz FEEQTBDAFPKUAC-SNVBAGLBSA-N 0 0 342.311 2.744 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)CC1(C)OCCO1 ZINC001596854886 1094549590 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ZINC001614900342 1099146254 /nfs/dbraw/zinc/14/62/54/1099146254.db2.gz HXYNIDXGDNDFKZ-UHFFFAOYSA-N 0 0 331.357 2.557 10 5 EFBERN CC1(C)C(C(=O)COc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC001615034149 1099150401 /nfs/dbraw/zinc/15/04/01/1099150401.db2.gz GHGDAMNNIVFWEZ-UHFFFAOYSA-N 0 0 335.356 2.996 10 5 EFBERN CC(C)(C)c1nc[nH]c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001616346159 1099176713 /nfs/dbraw/zinc/17/67/13/1099176713.db2.gz JDDLBFXAGRXUNC-UHFFFAOYSA-N 0 0 344.371 2.519 10 5 EFBERN C[C@H](C(=O)NCc1ccc2nonc2c1)c1ccc([N+](=O)[O-])cc1F ZINC001616822912 1099196759 /nfs/dbraw/zinc/19/67/59/1099196759.db2.gz NOYMMIFIIGGTSP-VIFPVBQESA-N 0 0 344.302 2.690 10 5 EFBERN COCC(=O)Nc1ccc(OC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001616897779 1099200613 /nfs/dbraw/zinc/20/06/13/1099200613.db2.gz UTOFLGOWYNUQSE-UHFFFAOYSA-N 0 0 348.286 2.538 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001617089687 1099211616 /nfs/dbraw/zinc/21/16/16/1099211616.db2.gz SNJODXMSDYSGDL-UHFFFAOYSA-N 0 0 333.369 2.506 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCc2ncncc2C1 ZINC001617097150 1099212287 /nfs/dbraw/zinc/21/22/87/1099212287.db2.gz HCINDOOLLOPYQX-LLVKDONJSA-N 0 0 349.350 2.677 10 5 EFBERN Cc1ccn(C[C@H](C)C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC001617091475 1099212372 /nfs/dbraw/zinc/21/23/72/1099212372.db2.gz HIEBYFBUAXRFJL-NSHDSACASA-N 0 0 339.355 2.923 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cn(C2CCC2)nn1 ZINC001617098420 1099212447 /nfs/dbraw/zinc/21/24/47/1099212447.db2.gz XTIZPGWSRTZFMK-UHFFFAOYSA-N 0 0 338.327 2.712 10 5 EFBERN COc1cc(CCC(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)on1 ZINC001617091820 1099212692 /nfs/dbraw/zinc/21/26/92/1099212692.db2.gz QOUNDVQGNDTHRN-UHFFFAOYSA-N 0 0 342.311 2.711 10 5 EFBERN COCc1cncc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001617096735 1099213133 /nfs/dbraw/zinc/21/31/33/1099213133.db2.gz BGDWNMFGTBZNGC-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN CCOc1cc(NC(=O)[C@@H](C)Oc2ccccn2)ccc1[N+](=O)[O-] ZINC001617194684 1099226197 /nfs/dbraw/zinc/22/61/97/1099226197.db2.gz CKZBEBMISSRPHW-LLVKDONJSA-N 0 0 331.328 2.795 10 5 EFBERN C[C@@H]1CC(C)(C)c2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c21 ZINC001617201804 1099226283 /nfs/dbraw/zinc/22/62/83/1099226283.db2.gz WAVJCWAJKAWDLJ-SNVBAGLBSA-N 0 0 329.360 2.610 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC1CCC1)[C@@H](C)CO ZINC001617256457 1099228620 /nfs/dbraw/zinc/22/86/20/1099228620.db2.gz UVOYBBRIJZTTJQ-LBPRGKRZSA-N 0 0 336.388 2.617 10 5 EFBERN O=C(Nc1ccnc(-n2cccn2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001617301510 1099230743 /nfs/dbraw/zinc/23/07/43/1099230743.db2.gz MMSSSVKREVPUSO-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001617296402 1099231506 /nfs/dbraw/zinc/23/15/06/1099231506.db2.gz ACNFDIBFYBCQAA-MEBBXXQBSA-N 0 0 328.796 2.704 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1scnc1Cl ZINC001617310551 1099232031 /nfs/dbraw/zinc/23/20/31/1099232031.db2.gz QZQVIMKJZBYXNR-UHFFFAOYSA-N 0 0 329.677 2.832 10 5 EFBERN Cc1cccc2nc(C(=O)Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cn21 ZINC001617310591 1099232500 /nfs/dbraw/zinc/23/25/00/1099232500.db2.gz RIKOUEHKCRDXGD-UHFFFAOYSA-N 0 0 342.267 2.678 10 5 EFBERN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C ZINC001617377977 1099236001 /nfs/dbraw/zinc/23/60/01/1099236001.db2.gz JZBTYXWPEBYAEQ-ZHSDAYTOSA-N 0 0 338.360 2.626 10 5 EFBERN CCNc1ccc(C(=O)NCc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC001617416519 1099238429 /nfs/dbraw/zinc/23/84/29/1099238429.db2.gz DZCOQVXDVPACBQ-UHFFFAOYSA-N 0 0 341.367 2.892 10 5 EFBERN Cc1cc(NC(=O)CN(C)C(=O)c2cccs2)cc([N+](=O)[O-])c1 ZINC001617445449 1099239724 /nfs/dbraw/zinc/23/97/24/1099239724.db2.gz FAXRXCOSORFWBD-UHFFFAOYSA-N 0 0 333.369 2.675 10 5 EFBERN CCOC(=O)N1CCC[C@@H](C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001617445433 1099239741 /nfs/dbraw/zinc/23/97/41/1099239741.db2.gz DMODRYRVUQNCRR-GFCCVEGCSA-N 0 0 335.360 2.710 10 5 EFBERN Cc1cc(NC(=O)c2c(C(F)(F)F)cnn2C)cc([N+](=O)[O-])c1 ZINC001617453638 1099240785 /nfs/dbraw/zinc/24/07/85/1099240785.db2.gz SRXJQLNYKUEYPY-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001617597200 1099247626 /nfs/dbraw/zinc/24/76/26/1099247626.db2.gz FJLRSJMSQQQORT-GDBMZVCRSA-N 0 0 349.343 2.534 10 5 EFBERN CCc1nnc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000785267484 1099249388 /nfs/dbraw/zinc/24/93/88/1099249388.db2.gz SDFGMDUTBIKNFU-UHFFFAOYSA-N 0 0 332.341 2.847 10 5 EFBERN NC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC001617644507 1099250117 /nfs/dbraw/zinc/25/01/17/1099250117.db2.gz FOSUXIQYIBZLBW-CHWSQXEVSA-N 0 0 331.372 2.849 10 5 EFBERN CCCc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001617646285 1099250135 /nfs/dbraw/zinc/25/01/35/1099250135.db2.gz WRFHLTHXVMWBNT-UHFFFAOYSA-N 0 0 327.340 2.899 10 5 EFBERN Cc1cc(C)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(C)c1 ZINC001617636096 1099250198 /nfs/dbraw/zinc/25/01/98/1099250198.db2.gz IWJBKQLPHYJZPE-UHFFFAOYSA-N 0 0 327.340 2.871 10 5 EFBERN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001617741950 1099257188 /nfs/dbraw/zinc/25/71/88/1099257188.db2.gz MRRIPPGZNZTSDZ-BBATYDOGSA-N 0 0 341.367 2.628 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CCCC2=O ZINC001617816116 1099261407 /nfs/dbraw/zinc/26/14/07/1099261407.db2.gz DTVMUCVWXIKZKP-UHFFFAOYSA-N 0 0 331.353 2.752 10 5 EFBERN Cn1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c(C(F)F)n1 ZINC001617835417 1099262299 /nfs/dbraw/zinc/26/22/99/1099262299.db2.gz GYYFCPDHZFYWRV-UHFFFAOYSA-N 0 0 332.213 2.796 10 5 EFBERN O=C(NCc1nccn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1F ZINC001617988400 1099270581 /nfs/dbraw/zinc/27/05/81/1099270581.db2.gz SWWHOOYGQBKWEK-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cn2ccccc2n1 ZINC001618094313 1099279181 /nfs/dbraw/zinc/27/91/81/1099279181.db2.gz ZJOGMTIYJAMERT-UHFFFAOYSA-N 0 0 344.758 2.755 10 5 EFBERN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(OC)c1 ZINC001618147245 1099280028 /nfs/dbraw/zinc/28/00/28/1099280028.db2.gz ONXOYLMQJOUOTO-NSHDSACASA-N 0 0 345.355 2.806 10 5 EFBERN Cc1cc(C)cc(CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001618133097 1099280381 /nfs/dbraw/zinc/28/03/81/1099280381.db2.gz PJJCAKSMTPBMIO-UHFFFAOYSA-N 0 0 338.367 2.947 10 5 EFBERN COc1ccccc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001618155371 1099281621 /nfs/dbraw/zinc/28/16/21/1099281621.db2.gz BFOZIQAPAHCQPE-UHFFFAOYSA-N 0 0 342.351 2.883 10 5 EFBERN O=C(Nc1ccc(F)nn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001618216385 1099284880 /nfs/dbraw/zinc/28/48/80/1099284880.db2.gz FXZOMPVRSVOGML-UHFFFAOYSA-N 0 0 330.197 2.795 10 5 EFBERN O=C(Nc1ccc(F)nn1)c1cccc([N+](=O)[O-])c1Br ZINC001618217224 1099285354 /nfs/dbraw/zinc/28/53/54/1099285354.db2.gz QDEFFAFVRYOZMN-UHFFFAOYSA-N 0 0 341.096 2.539 10 5 EFBERN CSc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ncn1 ZINC001618249693 1099287658 /nfs/dbraw/zinc/28/76/58/1099287658.db2.gz LJAJNCYCDIGPCW-UHFFFAOYSA-N 0 0 343.368 2.769 10 5 EFBERN O=C(Nc1cc(-c2ccccc2)nc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC001618279681 1099288291 /nfs/dbraw/zinc/28/82/91/1099288291.db2.gz OQPCLWXKKGJBOQ-RDTXWAMCSA-N 0 0 333.347 2.927 10 5 EFBERN Nc1ncc(C(=O)N2CCCCCc3ccccc32)cc1[N+](=O)[O-] ZINC001618282707 1099288361 /nfs/dbraw/zinc/28/83/61/1099288361.db2.gz OCIQPCMZRWQEOK-UHFFFAOYSA-N 0 0 326.356 2.945 10 5 EFBERN COc1ccc(C=O)cc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001618295657 1099288869 /nfs/dbraw/zinc/28/88/69/1099288869.db2.gz HZEROPPWRQZNGL-UHFFFAOYSA-N 0 0 326.308 2.619 10 5 EFBERN O=C(Cc1cnn2ccccc12)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001618314545 1099290696 /nfs/dbraw/zinc/29/06/96/1099290696.db2.gz NAEHLXILKPWVQG-UHFFFAOYSA-N 0 0 347.334 2.972 10 5 EFBERN COc1ccc2c(c1)[nH]nc2NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001618373780 1099294600 /nfs/dbraw/zinc/29/46/00/1099294600.db2.gz XPNLSVOMTBOABX-UHFFFAOYSA-N 0 0 344.302 2.800 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCCCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001618490980 1099301037 /nfs/dbraw/zinc/30/10/37/1099301037.db2.gz AXVGJYILJLLLAN-UHFFFAOYSA-N 0 0 349.774 2.899 10 5 EFBERN CN(C)Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1Cl ZINC001618538140 1099303472 /nfs/dbraw/zinc/30/34/72/1099303472.db2.gz QOVUFABQZDNDIY-UHFFFAOYSA-N 0 0 349.778 2.539 10 5 EFBERN O=C(NCc1ccc2nonc2c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001618604781 1099306504 /nfs/dbraw/zinc/30/65/04/1099306504.db2.gz WUNYAOFMRXUPTE-KBPBESRZSA-N 0 0 338.323 2.551 10 5 EFBERN Cc1cccnc1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001618653217 1099309372 /nfs/dbraw/zinc/30/93/72/1099309372.db2.gz XVTAPFAJMQMMCU-MRXNPFEDSA-N 0 0 345.403 2.788 10 5 EFBERN CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001618747408 1099315882 /nfs/dbraw/zinc/31/58/82/1099315882.db2.gz XYNGUPQLQGIMSJ-UHFFFAOYSA-N 0 0 346.314 2.664 10 5 EFBERN COCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H]1C ZINC001619864720 1099338998 /nfs/dbraw/zinc/33/89/98/1099338998.db2.gz YXWXFIGYHIMCPO-OCCSQVGLSA-N 0 0 345.403 2.592 10 5 EFBERN O=C(CCN1Cc2ccc(O)cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001620435360 1099354735 /nfs/dbraw/zinc/35/47/35/1099354735.db2.gz VOZBVGDPPDGWDN-UHFFFAOYSA-N 0 0 345.330 2.784 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(c2ncco2)CC1 ZINC001620483096 1099356210 /nfs/dbraw/zinc/35/62/10/1099356210.db2.gz CVBUZIOZALEHFZ-UHFFFAOYSA-N 0 0 344.371 2.709 10 5 EFBERN C[C@@]1(CO)CN(CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC001620476168 1099356246 /nfs/dbraw/zinc/35/62/46/1099356246.db2.gz YCQOBFQBZLBSFP-SFHVURJKSA-N 0 0 344.367 2.624 10 5 EFBERN COc1cnc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)[nH]c1=O ZINC001620647671 1099366213 /nfs/dbraw/zinc/36/62/13/1099366213.db2.gz AGCHNZHUIBZFTN-ZDUSSCGKSA-N 0 0 348.334 2.575 10 5 EFBERN Cc1cccnc1[C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001620664263 1099369443 /nfs/dbraw/zinc/36/94/43/1099369443.db2.gz BNBMMNISUBDVGQ-CZUORRHYSA-N 0 0 340.383 2.754 10 5 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341.795 2.556 10 5 EFBERN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)c2cccnc21 ZINC001628991141 1100156630 /nfs/dbraw/zinc/15/66/30/1100156630.db2.gz CDNIIEHHTNVZAI-UHFFFAOYSA-N 0 0 332.747 2.740 10 5 EFBERN CCO[C@@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1(CC)CC ZINC001629004037 1100158118 /nfs/dbraw/zinc/15/81/18/1100158118.db2.gz WGZLZZMLTDFIEG-DTWKUNHWSA-N 0 0 344.799 2.685 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001629034610 1100162744 /nfs/dbraw/zinc/16/27/44/1100162744.db2.gz AMJNCFQAGZDEHR-VHSXEESVSA-N 0 0 330.718 2.904 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001629034611 1100163437 /nfs/dbraw/zinc/16/34/37/1100163437.db2.gz AMJNCFQAGZDEHR-ZJUUUORDSA-N 0 0 330.718 2.904 10 5 EFBERN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001629065441 1100166126 /nfs/dbraw/zinc/16/61/26/1100166126.db2.gz WDIWCBKRSRWBIE-BXUZGUMPSA-N 0 0 326.356 2.590 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)cc1[N+](=O)[O-] ZINC001629062701 1100166269 /nfs/dbraw/zinc/16/62/69/1100166269.db2.gz KVKKCAMMGBSJSY-ZDUSSCGKSA-N 0 0 343.314 2.792 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cncc2ncn(C)c21 ZINC001629073245 1100167364 /nfs/dbraw/zinc/16/73/64/1100167364.db2.gz RHJRJXIDLSVRAT-UHFFFAOYSA-N 0 0 325.328 2.746 10 5 EFBERN Nc1c(C(=O)N2CC(Cc3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC001629069372 1100167616 /nfs/dbraw/zinc/16/76/16/1100167616.db2.gz QVZGAJOVEUSMTR-UHFFFAOYSA-N 0 0 347.321 2.770 10 5 EFBERN CN(Cc1c[nH]cn1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001629184372 1100178307 /nfs/dbraw/zinc/17/83/07/1100178307.db2.gz YUYCCJHOJAAVNJ-UHFFFAOYSA-N 0 0 343.368 2.714 10 5 EFBERN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001629193934 1100179517 /nfs/dbraw/zinc/17/95/17/1100179517.db2.gz WSNLGJIPHYIQDB-CQSZACIVSA-N 0 0 348.403 2.543 10 5 EFBERN O=C(Nc1ccc(O)cc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001629191959 1100180002 /nfs/dbraw/zinc/18/00/02/1100180002.db2.gz KHDYKXRTICWGMR-UHFFFAOYSA-N 0 0 336.687 2.935 10 5 EFBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001629484159 1100215893 /nfs/dbraw/zinc/21/58/93/1100215893.db2.gz OMRYTFFTDLGXLT-LLVKDONJSA-N 0 0 329.356 2.985 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1[N+](=O)[O-] ZINC001629501789 1100217501 /nfs/dbraw/zinc/21/75/01/1100217501.db2.gz SMROOIXDRLVMJV-UHFFFAOYSA-N 0 0 340.339 2.803 10 5 EFBERN COc1ccc(C[C@H]2CCN2C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001629635636 1100231028 /nfs/dbraw/zinc/23/10/28/1100231028.db2.gz SQPNHAIZIMRHBJ-CYBMUJFWSA-N 0 0 341.367 2.643 10 5 EFBERN Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c(-c2ccco2)n1 ZINC001629708781 1100239482 /nfs/dbraw/zinc/23/94/82/1100239482.db2.gz XUFYZEKAEDOYCU-UHFFFAOYSA-N 0 0 330.275 2.980 10 5 EFBERN Cc1nc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)oc1C ZINC001629747761 1100243421 /nfs/dbraw/zinc/24/34/21/1100243421.db2.gz IWSSEUQRZBIABS-UHFFFAOYSA-N 0 0 342.311 2.765 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1nc2ccccc2n1C ZINC001629845483 1100251809 /nfs/dbraw/zinc/25/18/09/1100251809.db2.gz GYNAEOHSOGJDDE-SNVBAGLBSA-N 0 0 339.355 2.555 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](CO)c1ccc(F)cc1 ZINC001629941765 1100261270 /nfs/dbraw/zinc/26/12/70/1100261270.db2.gz BJVLUXDDQWHGOG-CYBMUJFWSA-N 0 0 332.331 2.548 10 5 EFBERN Cc1c(C(=O)NC[C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001629936628 1100261885 /nfs/dbraw/zinc/26/18/85/1100261885.db2.gz IMYGLTOYAREKQV-ZDUSSCGKSA-N 0 0 332.331 2.548 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)CCC(C)C ZINC001629986109 1100266054 /nfs/dbraw/zinc/26/60/54/1100266054.db2.gz AAUUYORNXJLBMI-KRWDZBQOSA-N 0 0 338.404 2.911 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1C=CCCC1 ZINC001630037413 1100270962 /nfs/dbraw/zinc/27/09/62/1100270962.db2.gz DJTZTHKKUMSBHR-LBPRGKRZSA-N 0 0 327.340 2.747 10 5 EFBERN C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1F ZINC001630208462 1100285390 /nfs/dbraw/zinc/28/53/90/1100285390.db2.gz KUGFRQDNNRBRJA-UHFFFAOYSA-N 0 0 333.319 2.753 10 5 EFBERN CSc1cncc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC001630325135 1100295437 /nfs/dbraw/zinc/29/54/37/1100295437.db2.gz KFZKMFBJNITLAP-UHFFFAOYSA-N 0 0 347.352 2.542 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001630362708 1100298860 /nfs/dbraw/zinc/29/88/60/1100298860.db2.gz AASXHTGQRLOVTL-UHFFFAOYSA-N 0 0 345.286 2.727 10 5 EFBERN CN(C[C@](C)(O)c1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001630487479 1100309652 /nfs/dbraw/zinc/30/96/52/1100309652.db2.gz XFEJLPCOEZGHJG-QHSLDKKCSA-N 0 0 340.379 2.974 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CCCO)c2ccccc2)n1 ZINC001630513610 1100313045 /nfs/dbraw/zinc/31/30/45/1100313045.db2.gz BUMAPWSKXPGHKJ-HNNXBMFYSA-N 0 0 329.356 2.542 10 5 EFBERN C[C@H](Cc1ccsc1)N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630571715 1100319617 /nfs/dbraw/zinc/31/96/17/1100319617.db2.gz ITZNNDLHHVOMDR-IAQYHMDHSA-N 0 0 334.397 2.779 10 5 EFBERN O=C(NCCCc1c[nH][nH]c1=O)c1cc2ccccc2c2cccnc12 ZINC001630632493 1100323661 /nfs/dbraw/zinc/32/36/61/1100323661.db2.gz URCZJYVTPVYMMO-CQSZACIVSA-N 0 0 346.390 2.630 10 5 EFBERN CO[C@@H]1CCCC[C@@H]1OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044734990 1100324554 /nfs/dbraw/zinc/32/45/54/1100324554.db2.gz STNCGOOEDJCSFW-CVEARBPZSA-N 0 0 345.355 2.895 10 5 EFBERN C[C@@H](c1ccccc1F)[C@H](O)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001630713321 1100332162 /nfs/dbraw/zinc/33/21/62/1100332162.db2.gz GOSDPWCYGDBWLY-ZBEGNZNMSA-N 0 0 332.331 2.515 10 5 EFBERN Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]nc1C(F)(F)F ZINC001630713700 1100332682 /nfs/dbraw/zinc/33/26/82/1100332682.db2.gz RIEJNFKMRQXPAH-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN COc1ccc(CNC(=O)CCc2cccc(O)c2)cc1[N+](=O)[O-] ZINC001630722407 1100334263 /nfs/dbraw/zinc/33/42/63/1100334263.db2.gz MDVMROUMIUPDLK-UHFFFAOYSA-N 0 0 330.340 2.558 10 5 EFBERN CCOC(=O)c1sc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1C ZINC001630769838 1100337481 /nfs/dbraw/zinc/33/74/81/1100337481.db2.gz SJEYDDRSOGYBPC-UHFFFAOYSA-N 0 0 349.368 2.976 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CCCC2=O ZINC001630839227 1100344689 /nfs/dbraw/zinc/34/46/89/1100344689.db2.gz HTCGOPXHMKHMTA-UHFFFAOYSA-N 0 0 325.324 2.948 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C(C)=O)c1 ZINC001630886462 1100349930 /nfs/dbraw/zinc/34/99/30/1100349930.db2.gz NVXXGJZNSPSURH-UHFFFAOYSA-N 0 0 343.339 2.857 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001630887328 1100350116 /nfs/dbraw/zinc/35/01/16/1100350116.db2.gz XZDTXKLJKBHAMY-LBPRGKRZSA-N 0 0 340.339 2.701 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCO)c1ccccc1F ZINC001630895887 1100351011 /nfs/dbraw/zinc/35/10/11/1100351011.db2.gz ZAHQIJZEZUQXNS-HNNXBMFYSA-N 0 0 348.330 2.596 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCO)c1ccccc1F ZINC001630895888 1100351281 /nfs/dbraw/zinc/35/12/81/1100351281.db2.gz ZAHQIJZEZUQXNS-OAHLLOKOSA-N 0 0 348.330 2.596 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(F)(F)F)nn1C ZINC001630891127 1100351550 /nfs/dbraw/zinc/35/15/50/1100351550.db2.gz SOHPUSZVTDRXFY-UHFFFAOYSA-N 0 0 343.265 2.641 10 5 EFBERN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001631033135 1100362872 /nfs/dbraw/zinc/36/28/72/1100362872.db2.gz ARPVNHVHAHEFNN-XHDPSFHLSA-N 0 0 332.331 2.976 10 5 EFBERN COc1ccc([C@@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000045241066 1100368095 /nfs/dbraw/zinc/36/80/95/1100368095.db2.gz YXABMZXBTKEXES-SNVBAGLBSA-N 0 0 345.355 2.685 10 5 EFBERN C/C(=C/c1ccccn1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001631093977 1100369485 /nfs/dbraw/zinc/36/94/85/1100369485.db2.gz GPINZMQAUHXPQK-POHAHGRESA-N 0 0 333.294 2.988 10 5 EFBERN O=C(c1cnc2c[nH]nc2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001631132402 1100372833 /nfs/dbraw/zinc/37/28/33/1100372833.db2.gz HJRNMTLCUOYNKS-UHFFFAOYSA-N 0 0 337.339 2.671 10 5 EFBERN CC(C)(C)Oc1ccncc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001631151878 1100374439 /nfs/dbraw/zinc/37/44/39/1100374439.db2.gz GENFWNRZUMCFEY-UHFFFAOYSA-N 0 0 339.739 2.796 10 5 EFBERN COc1ccc(N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])c(OC)c1 ZINC001631138991 1100374798 /nfs/dbraw/zinc/37/47/98/1100374798.db2.gz ZCPPUYFMUYEHFV-UHFFFAOYSA-N 0 0 348.330 2.957 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(CO)cc1 ZINC001631217692 1100381614 /nfs/dbraw/zinc/38/16/14/1100381614.db2.gz XONAKCPULCHKBQ-UHFFFAOYSA-N 0 0 325.324 2.681 10 5 EFBERN COc1ccc(NC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001631347382 1100390700 /nfs/dbraw/zinc/39/07/00/1100390700.db2.gz SPMSYCFZUSALTN-VFZGTOFNSA-N 0 0 330.344 2.631 10 5 EFBERN COc1ccc(NC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001631347381 1100390748 /nfs/dbraw/zinc/39/07/48/1100390748.db2.gz SPMSYCFZUSALTN-RFAUZJTJSA-N 0 0 330.344 2.631 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(OCCO)cc1 ZINC001631425527 1100397741 /nfs/dbraw/zinc/39/77/41/1100397741.db2.gz IHFSITVDQSLMET-UHFFFAOYSA-N 0 0 330.340 2.835 10 5 EFBERN C[C@H]1Cc2cnccc2N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001631510019 1100406594 /nfs/dbraw/zinc/40/65/94/1100406594.db2.gz SZKYRRIEUXHPOS-LBPRGKRZSA-N 0 0 336.351 2.922 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC001631980365 1100443874 /nfs/dbraw/zinc/44/38/74/1100443874.db2.gz MQEJVOCABBRUNQ-LLVKDONJSA-N 0 0 338.791 2.961 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cccc(C)c1O ZINC001631969853 1100444402 /nfs/dbraw/zinc/44/44/02/1100444402.db2.gz RZHZSKXLHZRCJA-UHFFFAOYSA-N 0 0 347.302 2.959 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CCc2ccccc21 ZINC001632073397 1100451365 /nfs/dbraw/zinc/45/13/65/1100451365.db2.gz IBQVNQCWLCXKIH-LBPRGKRZSA-N 0 0 325.368 2.979 10 5 EFBERN COc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)CCC2 ZINC001632167784 1100457301 /nfs/dbraw/zinc/45/73/01/1100457301.db2.gz QAQHNTPRGPNSIH-KRWDZBQOSA-N 0 0 341.367 2.993 10 5 EFBERN CCC(CC)[C@H](CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)OC ZINC001632279996 1100463898 /nfs/dbraw/zinc/46/38/98/1100463898.db2.gz REOPSZAMEZOASG-VIFPVBQESA-N 0 0 332.788 2.542 10 5 EFBERN CCC1(CC)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC001632459782 1100476585 /nfs/dbraw/zinc/47/65/85/1100476585.db2.gz UOWQXYJVJZTACY-HUUCEWRRSA-N 0 0 335.404 2.717 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)C2(C)CCCC2)cc([N+](=O)[O-])c1F ZINC000785406981 1100483048 /nfs/dbraw/zinc/48/30/48/1100483048.db2.gz MMTYBZFHSQXRTK-UHFFFAOYSA-N 0 0 330.381 2.996 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(F)cc(C)c1N ZINC001632585421 1100485929 /nfs/dbraw/zinc/48/59/29/1100485929.db2.gz CGIKWPGEJXUHGF-UHFFFAOYSA-N 0 0 333.319 2.563 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnc(NC2CC2)s1 ZINC001632587117 1100486308 /nfs/dbraw/zinc/48/63/08/1100486308.db2.gz SGLVIZWLCQBKPF-UHFFFAOYSA-N 0 0 348.384 2.564 10 5 EFBERN CN(C)c1cccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)n1 ZINC001632651508 1100491239 /nfs/dbraw/zinc/49/12/39/1100491239.db2.gz KLFLEAAQSAJXFK-UHFFFAOYSA-N 0 0 335.751 2.544 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1noc2cc(F)ccc12 ZINC001632916056 1100508367 /nfs/dbraw/zinc/50/83/67/1100508367.db2.gz VBGLHJXXGHXULT-UHFFFAOYSA-N 0 0 348.265 2.526 10 5 EFBERN CCOc1ccc(C(=O)N2Cc3cncnc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC001633003579 1100515138 /nfs/dbraw/zinc/51/51/38/1100515138.db2.gz XTPYUHUKCCNSOQ-LLVKDONJSA-N 0 0 342.355 2.543 10 5 EFBERN CCC1(CC)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC001633021049 1100515881 /nfs/dbraw/zinc/51/58/81/1100515881.db2.gz PNBAMURKDKPNPI-VUCTXSBTSA-N 0 0 349.431 2.963 10 5 EFBERN Cc1ccccc1C[C@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633030636 1100517396 /nfs/dbraw/zinc/51/73/96/1100517396.db2.gz QXXNGPMDFKMIMR-CYBMUJFWSA-N 0 0 348.786 2.890 10 5 EFBERN CC[C@H](NC(=O)c1cnn2cc(C)cnc12)c1cccc([N+](=O)[O-])c1 ZINC001633058778 1100518805 /nfs/dbraw/zinc/51/88/05/1100518805.db2.gz BVXCYSJUJQNECA-HNNXBMFYSA-N 0 0 339.355 2.827 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccns1 ZINC001633069199 1100520466 /nfs/dbraw/zinc/52/04/66/1100520466.db2.gz VFZDQFVYTXGIFK-QMMMGPOBSA-N 0 0 341.776 2.788 10 5 EFBERN CC(C)n1c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)nc2ccccc21 ZINC001633082421 1100521482 /nfs/dbraw/zinc/52/14/82/1100521482.db2.gz UDSYUNQTDHYRHE-UHFFFAOYSA-N 0 0 341.327 2.878 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC001633226074 1100529650 /nfs/dbraw/zinc/52/96/50/1100529650.db2.gz QGFVRNZRFRRDBS-VIFPVBQESA-N 0 0 335.389 2.528 10 5 EFBERN CCOC(=O)c1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[nH]n1 ZINC001633245460 1100530670 /nfs/dbraw/zinc/53/06/70/1100530670.db2.gz QAYLJXOTVVIILZ-UHFFFAOYSA-N 0 0 346.343 2.672 10 5 EFBERN CC[C@@H](NC(=O)NC[C@@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC001633308696 1100535571 /nfs/dbraw/zinc/53/55/71/1100535571.db2.gz HOXOFFYEMFTPDG-DAXOMENPSA-N 0 0 335.404 2.896 10 5 EFBERN CC[C@@H](NC(=O)NC[C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC001633308695 1100535858 /nfs/dbraw/zinc/53/58/58/1100535858.db2.gz HOXOFFYEMFTPDG-APHBMKBZSA-N 0 0 335.404 2.896 10 5 EFBERN O=C(N[C@@H](C(F)F)C1CCCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001633315923 1100536026 /nfs/dbraw/zinc/53/60/26/1100536026.db2.gz CZRJFWSWUORNEA-MRVPVSSYSA-N 0 0 336.726 2.915 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC001633339499 1100537045 /nfs/dbraw/zinc/53/70/45/1100537045.db2.gz MDRICZULGYFTSX-OAHLLOKOSA-N 0 0 338.404 2.766 10 5 EFBERN CN(C)c1cc(F)c(C(=O)N2Cc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC001633328812 1100537327 /nfs/dbraw/zinc/53/73/27/1100537327.db2.gz GKNOSPVAUWHARY-UHFFFAOYSA-N 0 0 345.330 2.662 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(CC2CCOCC2)C1 ZINC001633362184 1100538089 /nfs/dbraw/zinc/53/80/89/1100538089.db2.gz SEEVJDYKJUYMFZ-UHFFFAOYSA-N 0 0 336.363 2.931 10 5 EFBERN Cc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c2nccn2c1 ZINC001633375030 1100539119 /nfs/dbraw/zinc/53/91/19/1100539119.db2.gz PCROSTVWJYSPEB-UHFFFAOYSA-N 0 0 336.311 2.680 10 5 EFBERN CCn1nc(C2CC2)cc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001633374906 1100539370 /nfs/dbraw/zinc/53/93/70/1100539370.db2.gz JZRUZRLRDPRECX-UHFFFAOYSA-N 0 0 340.343 2.817 10 5 EFBERN CC1(C)OC[C@H](/C=C\C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC001633401702 1100540457 /nfs/dbraw/zinc/54/04/57/1100540457.db2.gz NTENNKJRIIIHNN-CDNLZTBQSA-N 0 0 346.383 2.972 10 5 EFBERN Cc1cc(C(=O)NCc2nnc3ccc(Cl)cn32)cc([N+](=O)[O-])c1 ZINC001633502600 1100545299 /nfs/dbraw/zinc/54/52/99/1100545299.db2.gz ZDHPTJBKAOADMM-UHFFFAOYSA-N 0 0 345.746 2.529 10 5 EFBERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001633492119 1100545564 /nfs/dbraw/zinc/54/55/64/1100545564.db2.gz DJGAUXDUJJWJQB-MRXNPFEDSA-N 0 0 344.342 2.593 10 5 EFBERN CC(C)(NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001633568297 1100550908 /nfs/dbraw/zinc/55/09/08/1100550908.db2.gz NIJGCTUNPHTWGM-OAHLLOKOSA-N 0 0 332.331 2.819 10 5 EFBERN O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC001633630805 1100555600 /nfs/dbraw/zinc/55/56/00/1100555600.db2.gz VYCPSKLFOKSSFO-JTQLQIEISA-N 0 0 345.138 2.958 10 5 EFBERN CCc1ccc2c(c1)[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC001633639126 1100555916 /nfs/dbraw/zinc/55/59/16/1100555916.db2.gz RUWUDNWKCQNMNT-OAHLLOKOSA-N 0 0 341.367 2.993 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H](CO)CC1CCCC1 ZINC001633775255 1100564028 /nfs/dbraw/zinc/56/40/28/1100564028.db2.gz MTUYOJSVXWHWAG-OAHLLOKOSA-N 0 0 338.379 2.724 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H](CO)CC1CCCC1 ZINC001633775254 1100564469 /nfs/dbraw/zinc/56/44/69/1100564469.db2.gz MTUYOJSVXWHWAG-HNNXBMFYSA-N 0 0 338.379 2.724 10 5 EFBERN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001634008160 1100579292 /nfs/dbraw/zinc/57/92/92/1100579292.db2.gz NETWJTAASCYVHX-GFCCVEGCSA-N 0 0 328.372 2.584 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2Cc3cccc(O)c3C2)c1F ZINC001634062550 1100581990 /nfs/dbraw/zinc/58/19/90/1100581990.db2.gz YPLMKNKDAWQFGN-JTQLQIEISA-N 0 0 348.305 2.784 10 5 EFBERN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001634078440 1100582757 /nfs/dbraw/zinc/58/27/57/1100582757.db2.gz RWLJSLJGVOTNIP-DOTOQJQBSA-N 0 0 341.367 2.862 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnn([C@@H]2CCCCO2)c1 ZINC001634071567 1100582871 /nfs/dbraw/zinc/58/28/71/1100582871.db2.gz IRYYSIGCXYFCGJ-INIZCTEOSA-N 0 0 346.343 2.508 10 5 EFBERN CCC[C@@H](CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C)C(=O)OCC ZINC001634179070 1100589304 /nfs/dbraw/zinc/58/93/04/1100589304.db2.gz JDLLYJJSJFCPRZ-ZDUSSCGKSA-N 0 0 336.388 2.921 10 5 EFBERN C[C@H]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001634286526 1100595858 /nfs/dbraw/zinc/59/58/58/1100595858.db2.gz HGLFBGNSNBYULS-RYUDHWBXSA-N 0 0 329.356 2.779 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@@H](Cc2ccccc2)C1 ZINC001634355821 1100602407 /nfs/dbraw/zinc/60/24/07/1100602407.db2.gz OACKKBJQLKKDGX-NSHDSACASA-N 0 0 334.763 2.676 10 5 EFBERN C[C@@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001634395786 1100605831 /nfs/dbraw/zinc/60/58/31/1100605831.db2.gz DIOPFEXQFQREMR-GFCCVEGCSA-N 0 0 342.355 2.594 10 5 EFBERN COCCC1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCC1 ZINC001634472497 1100609989 /nfs/dbraw/zinc/60/99/89/1100609989.db2.gz QFISIFCWDVAVKG-UHFFFAOYSA-N 0 0 327.768 2.519 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@]12C[C@H]1CCC2 ZINC001634483424 1100610567 /nfs/dbraw/zinc/61/05/67/1100610567.db2.gz ZUTOGBKRWADJIK-PIGZYNQJSA-N 0 0 328.372 2.710 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@@H]1C1CC1 ZINC001634481461 1100610732 /nfs/dbraw/zinc/61/07/32/1100610732.db2.gz HCUUVXSHCBERBR-OLZOCXBDSA-N 0 0 328.372 2.566 10 5 EFBERN Nc1c(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)cc(F)cc1[N+](=O)[O-] ZINC001634545757 1100615223 /nfs/dbraw/zinc/61/52/23/1100615223.db2.gz VJIFRUYKNSESNX-ABAIWWIYSA-N 0 0 349.293 2.518 10 5 EFBERN CN(C(N)=O)c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001634555859 1100616155 /nfs/dbraw/zinc/61/61/55/1100616155.db2.gz FXKJCZYBUJDHBN-UHFFFAOYSA-N 0 0 332.291 2.501 10 5 EFBERN Cc1cc(C(=O)NCc2cccc3nsnc32)cc([N+](=O)[O-])c1 ZINC001634576235 1100616925 /nfs/dbraw/zinc/61/69/25/1100616925.db2.gz VIMNHCRCWAADTD-UHFFFAOYSA-N 0 0 328.353 2.838 10 5 EFBERN CC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)ccc1OC(C)C ZINC001634604640 1100618196 /nfs/dbraw/zinc/61/81/96/1100618196.db2.gz VKQFOJRPJJDORS-UHFFFAOYSA-N 0 0 332.316 2.560 10 5 EFBERN COc1ccc2[nH]c([C@@H](C)NC(=O)c3ccccc3[N+](=O)[O-])nc2c1 ZINC001634654666 1100622619 /nfs/dbraw/zinc/62/26/19/1100622619.db2.gz JWKZSBDRGRHPRF-SNVBAGLBSA-N 0 0 340.339 2.971 10 5 EFBERN Cn1c(=O)[nH]c2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc21 ZINC001634785963 1100630001 /nfs/dbraw/zinc/63/00/01/1100630001.db2.gz TXIOGPKZSOLVHF-UHFFFAOYSA-N 0 0 330.275 2.579 10 5 EFBERN O=C(C[C@@H]1CCCC[C@H]1O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001634862534 1100633038 /nfs/dbraw/zinc/63/30/38/1100633038.db2.gz BYSJCGUNBJFWPQ-DOTOQJQBSA-N 0 0 334.416 2.975 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c2nc[nH]c2ccc1F ZINC001634861369 1100633326 /nfs/dbraw/zinc/63/33/26/1100633326.db2.gz SESPGXKINPNUFK-UHFFFAOYSA-N 0 0 342.330 2.925 10 5 EFBERN C[C@@H](O)c1ncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC001634863949 1100633529 /nfs/dbraw/zinc/63/35/29/1100633529.db2.gz JWMKZNOTOGCWFT-LLVKDONJSA-N 0 0 349.412 2.857 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCc2c(O)cccc2C1 ZINC001635082426 1100642517 /nfs/dbraw/zinc/64/25/17/1100642517.db2.gz WYAYKMJALRYLTB-UHFFFAOYSA-N 0 0 337.335 2.980 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCSC12CCCCC2 ZINC001635084977 1100642550 /nfs/dbraw/zinc/64/25/50/1100642550.db2.gz YRWIRHJCERZASL-UHFFFAOYSA-N 0 0 330.797 2.821 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)CCC(C)(C)C ZINC001635088877 1100643459 /nfs/dbraw/zinc/64/34/59/1100643459.db2.gz PXUQERXJQZLOFU-NSHDSACASA-N 0 0 326.368 2.959 10 5 EFBERN Nc1nccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001635291670 1100653098 /nfs/dbraw/zinc/65/30/98/1100653098.db2.gz YLQJNELPAHYEEF-NWDGAFQWSA-N 0 0 332.747 2.511 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C(F)F)nc1 ZINC001635282332 1100653199 /nfs/dbraw/zinc/65/31/99/1100653199.db2.gz XOJVJTMMGABCTF-UHFFFAOYSA-N 0 0 347.281 2.734 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2ncon2)C1 ZINC001635320964 1100654353 /nfs/dbraw/zinc/65/43/53/1100654353.db2.gz OMPKRZXUHWSZGI-SECBINFHSA-N 0 0 336.735 2.651 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c(F)cccc1Cl ZINC001635362629 1100657316 /nfs/dbraw/zinc/65/73/16/1100657316.db2.gz APTJWCDIDRMTTM-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN CC(C)(C)c1nnc(C(=O)NCCc2ccccc2[N+](=O)[O-])s1 ZINC001635567904 1100667974 /nfs/dbraw/zinc/66/79/74/1100667974.db2.gz DEWRRXIHNFUGHD-UHFFFAOYSA-N 0 0 334.401 2.716 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1ocnc1C(F)(F)F ZINC001635568198 1100668049 /nfs/dbraw/zinc/66/80/49/1100668049.db2.gz MIVNVWMWPLJJFM-UHFFFAOYSA-N 0 0 329.234 2.574 10 5 EFBERN CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001635630941 1100671276 /nfs/dbraw/zinc/67/12/76/1100671276.db2.gz BVGWQTUPSUOLNF-YUMQZZPRSA-N 0 0 329.759 2.991 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001635841238 1100683206 /nfs/dbraw/zinc/68/32/06/1100683206.db2.gz LGVOKSVHWCHGOK-GFCCVEGCSA-N 0 0 340.335 2.667 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2CC[C@H]1O ZINC001635875655 1100685920 /nfs/dbraw/zinc/68/59/20/1100685920.db2.gz UUXKEHYYFLXUKL-SJORKVTESA-N 0 0 344.342 2.821 10 5 EFBERN Cc1ncsc1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001635902264 1100686577 /nfs/dbraw/zinc/68/65/77/1100686577.db2.gz SFYJFFWHWUDFSB-UHFFFAOYSA-N 0 0 330.369 2.814 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C(F)(F)F)n1 ZINC001635915548 1100687441 /nfs/dbraw/zinc/68/74/41/1100687441.db2.gz IVMJWYMLPNMEAZ-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(-c3ccco3)n[nH]2)cc1[N+](=O)[O-] ZINC001635925339 1100688046 /nfs/dbraw/zinc/68/80/46/1100688046.db2.gz DBRBGOIPGMPWIF-UHFFFAOYSA-N 0 0 326.312 2.816 10 5 EFBERN C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001635928315 1100688053 /nfs/dbraw/zinc/68/80/53/1100688053.db2.gz UNBPSSFXSGPFHR-JTQLQIEISA-N 0 0 326.780 2.722 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](CCO)C1CCCC1 ZINC001635950197 1100689447 /nfs/dbraw/zinc/68/94/47/1100689447.db2.gz DILLBDOJFPPSFF-KRWDZBQOSA-N 0 0 349.431 2.844 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cn(C)cn1 ZINC001635990864 1100690961 /nfs/dbraw/zinc/69/09/61/1100690961.db2.gz QQBNRFOOZUBMTF-QPJJXVBHSA-N 0 0 329.360 2.801 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cnc2n[nH]cc2c1 ZINC001635988065 1100691034 /nfs/dbraw/zinc/69/10/34/1100691034.db2.gz LNBKTBCPYVQEPL-UHFFFAOYSA-N 0 0 340.343 2.697 10 5 EFBERN Cc1cc([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001636065709 1100698163 /nfs/dbraw/zinc/69/81/63/1100698163.db2.gz ONFPVFKATCZSGK-MRXNPFEDSA-N 0 0 328.372 2.923 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc2c([nH]c1=O)CCCC2 ZINC001636074148 1100699150 /nfs/dbraw/zinc/69/91/50/1100699150.db2.gz RIBNXFZCZGXBOF-UHFFFAOYSA-N 0 0 341.367 2.813 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccccc1CO ZINC001636128677 1100701364 /nfs/dbraw/zinc/70/13/64/1100701364.db2.gz ZANDGVZISNYWQG-UHFFFAOYSA-N 0 0 334.759 2.599 10 5 EFBERN Cc1c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cnn1C ZINC001636155392 1100703211 /nfs/dbraw/zinc/70/32/11/1100703211.db2.gz CDBNMHFTSQBHPL-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccnc1Cl ZINC001636246006 1100709092 /nfs/dbraw/zinc/70/90/92/1100709092.db2.gz MVPVSXKMZFLNOH-UHFFFAOYSA-N 0 0 338.776 2.690 10 5 EFBERN CC(=O)NC1(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC001636284359 1100711049 /nfs/dbraw/zinc/71/10/49/1100711049.db2.gz MXWGALBLITVBSN-CYBMUJFWSA-N 0 0 347.415 2.654 10 5 EFBERN COc1ccccc1[C@@H](O)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001636289957 1100711252 /nfs/dbraw/zinc/71/12/52/1100711252.db2.gz WRKCAHKXEFUITP-SJKOYZFVSA-N 0 0 344.367 2.557 10 5 EFBERN Cc1n[nH]c(C)c1CCC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001636283966 1100711307 /nfs/dbraw/zinc/71/13/07/1100711307.db2.gz GQKQKVCQONOFFE-NSHDSACASA-N 0 0 330.388 2.787 10 5 EFBERN CC(C)NC(=O)CCCC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001636284145 1100711463 /nfs/dbraw/zinc/71/14/63/1100711463.db2.gz KIFZUYTZPLKEAZ-CYBMUJFWSA-N 0 0 335.404 2.509 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CSc2ccccc21 ZINC001636296350 1100711943 /nfs/dbraw/zinc/71/19/43/1100711943.db2.gz UAYZDLXGVIXVFZ-SNVBAGLBSA-N 0 0 329.381 2.796 10 5 EFBERN Cc1cc(C(=O)NCC[C@H]2CCC(C)(C)CO2)c(N)c([N+](=O)[O-])c1 ZINC001636296072 1100712118 /nfs/dbraw/zinc/71/21/18/1100712118.db2.gz OEJARSYXIBSVIY-GFCCVEGCSA-N 0 0 335.404 2.811 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2cc3ccccn3n2)cc1[N+](=O)[O-] ZINC001636341696 1100714620 /nfs/dbraw/zinc/71/46/20/1100714620.db2.gz NCHNUCZDFFPVGZ-UHFFFAOYSA-N 0 0 331.719 2.730 10 5 EFBERN Cc1c(Br)ccc(O)c1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001636490087 1100721777 /nfs/dbraw/zinc/72/17/77/1100721777.db2.gz RFNXFVCSLUDWJO-UHFFFAOYSA-N 0 0 340.133 2.952 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(O)c(F)c1F ZINC001636506457 1100722553 /nfs/dbraw/zinc/72/25/53/1100722553.db2.gz BUZQWWNNSWPHIP-UHFFFAOYSA-N 0 0 326.230 2.899 10 5 EFBERN CC(C)[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cnn(C)c1 ZINC001636619145 1100730191 /nfs/dbraw/zinc/73/01/91/1100730191.db2.gz PPSFNTDNPCGLCG-MRXNPFEDSA-N 0 0 341.371 2.937 10 5 EFBERN CC(C)[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cnn(C)c1 ZINC001636619143 1100730434 /nfs/dbraw/zinc/73/04/34/1100730434.db2.gz PPSFNTDNPCGLCG-INIZCTEOSA-N 0 0 341.371 2.937 10 5 EFBERN CC(=O)Nc1ccccc1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001636724170 1100734121 /nfs/dbraw/zinc/73/41/21/1100734121.db2.gz QJYFXOLPRSOESN-UHFFFAOYSA-N 0 0 342.355 2.625 10 5 EFBERN Cc1ccc(NC(=O)c2c[nH]nc2-c2ccncc2)c(N)c1[N+](=O)[O-] ZINC001636724097 1100734150 /nfs/dbraw/zinc/73/41/50/1100734150.db2.gz NZBXBYSCSOBTPO-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN Cc1ccc(NC(=O)C[C@@H]2COc3ccccc3O2)c(N)c1[N+](=O)[O-] ZINC001636724106 1100734165 /nfs/dbraw/zinc/73/41/65/1100734165.db2.gz OGZMJDIPZGQYHM-LLVKDONJSA-N 0 0 343.339 2.654 10 5 EFBERN COCc1nc(C)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)s1 ZINC001636723882 1100734239 /nfs/dbraw/zinc/73/42/39/1100734239.db2.gz FJNYLYNHBLMUBI-UHFFFAOYSA-N 0 0 336.373 2.649 10 5 EFBERN Cc1ccc(NC(=O)CCCOc2cccnc2)c(N)c1[N+](=O)[O-] ZINC001636723778 1100734440 /nfs/dbraw/zinc/73/44/40/1100734440.db2.gz ATAHYWCVVVWXKM-UHFFFAOYSA-N 0 0 330.344 2.678 10 5 EFBERN Cc1ccc2[nH]ncc2c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001636728862 1100735129 /nfs/dbraw/zinc/73/51/29/1100735129.db2.gz DSZBEVRWWDUZET-UHFFFAOYSA-N 0 0 325.328 2.922 10 5 EFBERN CC(C)[C@H]1N(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1(C)C ZINC001636764467 1100736489 /nfs/dbraw/zinc/73/64/89/1100736489.db2.gz XMGBLBXBVXMGBB-OAHLLOKOSA-N 0 0 343.387 2.682 10 5 EFBERN CON(Cc1ccccc1Cl)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001636925845 1100745583 /nfs/dbraw/zinc/74/55/83/1100745583.db2.gz HFHCUNMSLDYABO-UHFFFAOYSA-N 0 0 345.142 2.829 10 5 EFBERN Cc1ncsc1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001637015306 1100751338 /nfs/dbraw/zinc/75/13/38/1100751338.db2.gz XNENMSYRRLSNFM-UHFFFAOYSA-N 0 0 325.777 2.986 10 5 EFBERN O=C(c1ccc(CO)nc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001637022478 1100751976 /nfs/dbraw/zinc/75/19/76/1100751976.db2.gz IAGMBEZRDOBAFA-OAHLLOKOSA-N 0 0 341.367 2.502 10 5 EFBERN O=C(NCCCC1CCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001637048857 1100754620 /nfs/dbraw/zinc/75/46/20/1100754620.db2.gz XGIVJHNLZASVSI-UHFFFAOYSA-N 0 0 333.388 2.948 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccncn1 ZINC001637099877 1100756899 /nfs/dbraw/zinc/75/68/99/1100756899.db2.gz VOSLTBIZKQJZOR-ZZXKWVIFSA-N 0 0 327.344 2.857 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OCc1ccncc1 ZINC001637103728 1100757648 /nfs/dbraw/zinc/75/76/48/1100757648.db2.gz QPVWRCDSKCIHHM-GFCCVEGCSA-N 0 0 345.355 2.932 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(F)nccc1Cl ZINC001637126515 1100758879 /nfs/dbraw/zinc/75/88/79/1100758879.db2.gz BCVXOYBLOQJIGV-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN CS(C)(=O)=Nc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001637200190 1100764056 /nfs/dbraw/zinc/76/40/56/1100764056.db2.gz IODQVSVHLOXHOC-UHFFFAOYSA-N 0 0 348.384 2.788 10 5 EFBERN Nc1ccc(NC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC001637201173 1100764098 /nfs/dbraw/zinc/76/40/98/1100764098.db2.gz SJTLFQPLESQDAA-GZMMTYOYSA-N 0 0 333.266 2.616 10 5 EFBERN Nc1ccc(NC(=O)c2ncc3cc(Cl)ccn32)cc1[N+](=O)[O-] ZINC001637200965 1100764281 /nfs/dbraw/zinc/76/42/81/1100764281.db2.gz RUSMQEQBYXRXHY-UHFFFAOYSA-N 0 0 331.719 2.730 10 5 EFBERN COc1ccc(C(=O)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1Cl ZINC001637200113 1100764303 /nfs/dbraw/zinc/76/43/03/1100764303.db2.gz HZCJEOJROJAXCZ-UHFFFAOYSA-N 0 0 349.730 2.660 10 5 EFBERN COC(=O)c1ccc(CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001637196221 1100764467 /nfs/dbraw/zinc/76/44/67/1100764467.db2.gz RLYZWOGPKYIILD-UHFFFAOYSA-N 0 0 343.339 2.535 10 5 EFBERN C[C@@H](Cc1cccnc1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001637241785 1100767276 /nfs/dbraw/zinc/76/72/76/1100767276.db2.gz DAOJGDXFCOWFOY-VIFPVBQESA-N 0 0 334.763 2.586 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001637268742 1100768042 /nfs/dbraw/zinc/76/80/42/1100768042.db2.gz ZHTUDSQGYCGROK-ZDUSSCGKSA-N 0 0 329.356 2.866 10 5 EFBERN CC1(C)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@@H]1c1ccncc1 ZINC001637302691 1100771041 /nfs/dbraw/zinc/77/10/41/1100771041.db2.gz AUNWFYIBGAAXFE-LLVKDONJSA-N 0 0 335.751 2.590 10 5 EFBERN CC(C)n1ccnc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001637363539 1100776518 /nfs/dbraw/zinc/77/65/18/1100776518.db2.gz WJIGHXAYIJMCPX-UHFFFAOYSA-N 0 0 336.779 2.998 10 5 EFBERN CC(=O)OCCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001637423619 1100782405 /nfs/dbraw/zinc/78/24/05/1100782405.db2.gz IXZRJEUNHOVISF-UHFFFAOYSA-N 0 0 343.339 2.535 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC001637532542 1100788205 /nfs/dbraw/zinc/78/82/05/1100788205.db2.gz YOOKSNCOGMPPHO-UHFFFAOYSA-N 0 0 349.293 2.550 10 5 EFBERN CC1(C)[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001637597209 1100793636 /nfs/dbraw/zinc/79/36/36/1100793636.db2.gz IFYZNDSOGYLQOU-ZFWWWQNUSA-N 0 0 341.367 2.865 10 5 EFBERN COc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)CCC2 ZINC001637676834 1100798286 /nfs/dbraw/zinc/79/82/86/1100798286.db2.gz SONMTDITNMFPNY-QGZVFWFLSA-N 0 0 341.367 2.993 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2cc3c(cc2[nH]1)OCO3 ZINC001637706332 1100801333 /nfs/dbraw/zinc/80/13/33/1100801333.db2.gz NHUHJAKGGOWUAR-UHFFFAOYSA-N 0 0 340.295 2.761 10 5 EFBERN COc1ccc(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1O ZINC001637763171 1100804493 /nfs/dbraw/zinc/80/44/93/1100804493.db2.gz GOAJOSAWEPJSJW-UHFFFAOYSA-N 0 0 344.367 2.903 10 5 EFBERN O=Cc1c[nH]c2cc(C(=O)NCCc3cccc([N+](=O)[O-])c3)ccc12 ZINC001637785948 1100804951 /nfs/dbraw/zinc/80/49/51/1100804951.db2.gz UOLOTFXSFWCJOK-UHFFFAOYSA-N 0 0 337.335 2.861 10 5 EFBERN O=C(Nc1nc2cc[nH]cc-2n1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001637830176 1100809132 /nfs/dbraw/zinc/80/91/32/1100809132.db2.gz GHVBWYGQBPPEME-UHFFFAOYSA-N 0 0 335.682 2.911 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cc(F)ccc1N(C)C ZINC001637840744 1100809586 /nfs/dbraw/zinc/80/95/86/1100809586.db2.gz OKZMVVZSQQDMGR-SNVBAGLBSA-N 0 0 346.362 2.873 10 5 EFBERN C[C@@H](NC(=O)NCc1cnc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC001637898412 1100814948 /nfs/dbraw/zinc/81/49/48/1100814948.db2.gz BADIGJXQKCFQMI-SECBINFHSA-N 0 0 335.751 2.599 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637928271 1100818059 /nfs/dbraw/zinc/81/80/59/1100818059.db2.gz UJGIQEOPYWJDLR-JTQLQIEISA-N 0 0 344.795 2.695 10 5 EFBERN Cc1c(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cnn1-c1ccccc1Cl ZINC001638119336 1100835081 /nfs/dbraw/zinc/83/50/81/1100835081.db2.gz QYBWVVRFTCYFGN-UHFFFAOYSA-N 0 0 346.734 2.718 10 5 EFBERN CCc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)CCO2 ZINC001638178211 1100839396 /nfs/dbraw/zinc/83/93/96/1100839396.db2.gz NNLBJKQORJDBEW-AWEZNQCLSA-N 0 0 341.367 2.993 10 5 EFBERN Cc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])cc(NC2CC2)n1 ZINC001141778641 1100840064 /nfs/dbraw/zinc/84/00/64/1100840064.db2.gz GFRPDZIDDSUTKC-UHFFFAOYSA-N 0 0 326.356 2.803 10 5 EFBERN C/C=C\C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(=O)OCC ZINC001638285528 1100847284 /nfs/dbraw/zinc/84/72/84/1100847284.db2.gz WALIXIQJDHTOCZ-MFBWXBCUSA-N 0 0 345.355 2.704 10 5 EFBERN Cc1c2ccccc2c(=O)[nH]c1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001638381043 1100853714 /nfs/dbraw/zinc/85/37/14/1100853714.db2.gz ALSLHCGNVVQLGX-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001638381078 1100854317 /nfs/dbraw/zinc/85/43/17/1100854317.db2.gz BWQUNLDNDPFLOU-ZBEGNZNMSA-N 0 0 329.356 2.589 10 5 EFBERN C[C@](O)(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001638381515 1100854417 /nfs/dbraw/zinc/85/44/17/1100854417.db2.gz MSVKWLLNIAFHCZ-OAHLLOKOSA-N 0 0 335.747 2.677 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001638557523 1100869465 /nfs/dbraw/zinc/86/94/65/1100869465.db2.gz BJCAEFXLXBHXPS-MRVPVSSYSA-N 0 0 349.366 2.631 10 5 EFBERN CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c(C)c1 ZINC001638567643 1100870238 /nfs/dbraw/zinc/87/02/38/1100870238.db2.gz WQDKHEUNAHSQDL-UHFFFAOYSA-N 0 0 345.355 2.723 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@H](C)c2nc(CC)cs2)c1[N+](=O)[O-] ZINC001638681483 1100879011 /nfs/dbraw/zinc/87/90/11/1100879011.db2.gz ALKKOIKHQIIZFC-MRVPVSSYSA-N 0 0 337.405 2.780 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H](C)c2nc(CC)cs2)c1[N+](=O)[O-] ZINC001638681484 1100879324 /nfs/dbraw/zinc/87/93/24/1100879324.db2.gz ALKKOIKHQIIZFC-QMMMGPOBSA-N 0 0 337.405 2.780 10 5 EFBERN C[C@H](CNC(=O)NCC1(CO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001638706995 1100880003 /nfs/dbraw/zinc/88/00/03/1100880003.db2.gz AICLHUDIURHZKV-CQSZACIVSA-N 0 0 349.431 2.940 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1noc(C(F)F)n1 ZINC001638702471 1100880346 /nfs/dbraw/zinc/88/03/46/1100880346.db2.gz RQDQCLOGCYULPA-ZCFIWIBFSA-N 0 0 344.249 2.854 10 5 EFBERN Cc1cc(C(=O)NC[C@](C)(O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC001638721144 1100881430 /nfs/dbraw/zinc/88/14/30/1100881430.db2.gz IOZJDRZLFLYKHY-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cnn1-c1cccc(C)c1 ZINC001638722195 1100881614 /nfs/dbraw/zinc/88/16/14/1100881614.db2.gz JCSYNXPYYRUPJR-UHFFFAOYSA-N 0 0 325.328 2.978 10 5 EFBERN COc1ccc(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c(O)c1 ZINC001638751120 1100884721 /nfs/dbraw/zinc/88/47/21/1100884721.db2.gz CXNGWSUUAYCSKH-UHFFFAOYSA-N 0 0 336.275 2.709 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c[nH]1 ZINC001638851748 1100891063 /nfs/dbraw/zinc/89/10/63/1100891063.db2.gz MRWYXKFQMUDFOP-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN Cc1cc(C(=O)N[C@@H](CCO)c2ccccc2F)ccc1[N+](=O)[O-] ZINC001638879303 1100893582 /nfs/dbraw/zinc/89/35/82/1100893582.db2.gz SOYMXJGLTRZQCA-HNNXBMFYSA-N 0 0 332.331 2.896 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(OC)c(C)c1 ZINC001638893265 1100896004 /nfs/dbraw/zinc/89/60/04/1100896004.db2.gz VOEGFBABPBUQJO-UHFFFAOYSA-N 0 0 345.355 2.971 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC001638892210 1100896502 /nfs/dbraw/zinc/89/65/02/1100896502.db2.gz GSQMSNLYERIHKA-OAHLLOKOSA-N 0 0 333.319 2.838 10 5 EFBERN Cc1nc(CC2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)no1 ZINC001638942976 1100900234 /nfs/dbraw/zinc/90/02/34/1100900234.db2.gz MGUCDMIDEAMXAA-UHFFFAOYSA-N 0 0 344.371 2.690 10 5 EFBERN COc1cc(C(=O)Nc2cccc(CCO)c2)c([N+](=O)[O-])cc1F ZINC001639011693 1100904684 /nfs/dbraw/zinc/90/46/84/1100904684.db2.gz NRQBHZXDMQAJBS-UHFFFAOYSA-N 0 0 334.303 2.530 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC[C@@H]1CC1CC1 ZINC001639039088 1100907274 /nfs/dbraw/zinc/90/72/74/1100907274.db2.gz FSLWYXCNZWAHAA-ZDUSSCGKSA-N 0 0 338.791 2.818 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001639083381 1100911358 /nfs/dbraw/zinc/91/13/58/1100911358.db2.gz WTHJLJPYGHGRRA-UHFFFAOYSA-N 0 0 337.238 2.711 10 5 EFBERN COc1ccc(CC(=O)O[C@@H]2CCCC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000840223584 1100927388 /nfs/dbraw/zinc/92/73/88/1100927388.db2.gz WONDWZGPOJIPOX-CQSZACIVSA-N 0 0 335.356 2.837 10 5 EFBERN CN(C)C(=O)c1cccc(Oc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001639261098 1100931643 /nfs/dbraw/zinc/93/16/43/1100931643.db2.gz WGONEMAHIIVLFP-UHFFFAOYSA-N 0 0 334.303 2.720 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NN1CCCc2ccccc21 ZINC001639288630 1100933818 /nfs/dbraw/zinc/93/38/18/1100933818.db2.gz PWJRIFXPYSKNMF-UHFFFAOYSA-N 0 0 327.340 2.701 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1nnc(-c2ccco2)o1 ZINC001639313120 1100937212 /nfs/dbraw/zinc/93/72/12/1100937212.db2.gz VCCMBWZAPKUZCG-UHFFFAOYSA-N 0 0 342.311 2.553 10 5 EFBERN CNC(=O)Cn1cc(Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])cn1 ZINC001639315721 1100937347 /nfs/dbraw/zinc/93/73/47/1100937347.db2.gz YWAILDMAEVPRKM-UHFFFAOYSA-N 0 0 344.158 2.588 10 5 EFBERN COc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(C)c(OC)c1 ZINC001639313116 1100937768 /nfs/dbraw/zinc/93/77/68/1100937768.db2.gz VBRBMBRXTSJOBL-UHFFFAOYSA-N 0 0 340.723 2.549 10 5 EFBERN CN(Cc1cccc(C(N)=O)c1)c1nccc2c1cccc2[N+](=O)[O-] ZINC001639326034 1100938754 /nfs/dbraw/zinc/93/87/54/1100938754.db2.gz NXYNBECSDRFDRZ-UHFFFAOYSA-N 0 0 336.351 2.878 10 5 EFBERN Cc1noc(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 ZINC001639349338 1100940785 /nfs/dbraw/zinc/94/07/85/1100940785.db2.gz BBSHZGZIQXVCFU-UHFFFAOYSA-N 0 0 334.723 2.537 10 5 EFBERN CN(C[C@H]1CCCO[C@H]1c1ccccc1)c1nn(C)cc1[N+](=O)[O-] ZINC001639368744 1100941701 /nfs/dbraw/zinc/94/17/01/1100941701.db2.gz ZWZBUSJCHRZLPE-ZBFHGGJFSA-N 0 0 330.388 2.932 10 5 EFBERN COc1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1Br ZINC001639456980 1100951834 /nfs/dbraw/zinc/95/18/34/1100951834.db2.gz KXDNPNDKWZUBBB-UHFFFAOYSA-N 0 0 327.138 2.843 10 5 EFBERN Cn1c(CNc2c(Cl)cncc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC001639520394 1100957523 /nfs/dbraw/zinc/95/75/23/1100957523.db2.gz XWFXZLFCVVVJKM-UHFFFAOYSA-N 0 0 335.726 2.703 10 5 EFBERN COc1cccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001639530739 1100958110 /nfs/dbraw/zinc/95/81/10/1100958110.db2.gz MDVRXZFRLKHXIG-NSHDSACASA-N 0 0 345.355 2.582 10 5 EFBERN C[C@@H]1CN=C(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])S1 ZINC001639571608 1100961857 /nfs/dbraw/zinc/96/18/57/1100961857.db2.gz NBRWEIGPOAJLLR-SNVBAGLBSA-N 0 0 342.380 2.878 10 5 EFBERN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cnccn1 ZINC001639567687 1100961995 /nfs/dbraw/zinc/96/19/95/1100961995.db2.gz ZXPKYYLLHIWWOD-GFCCVEGCSA-N 0 0 344.374 2.962 10 5 EFBERN C[C@H]1CN=C(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])S1 ZINC001639571607 1100962284 /nfs/dbraw/zinc/96/22/84/1100962284.db2.gz NBRWEIGPOAJLLR-JTQLQIEISA-N 0 0 342.380 2.878 10 5 EFBERN C[C@H](C(=O)NCC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001639612493 1100966036 /nfs/dbraw/zinc/96/60/36/1100966036.db2.gz QZDUBYDWCFFORL-JTQLQIEISA-N 0 0 348.305 2.976 10 5 EFBERN C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001639620237 1100967401 /nfs/dbraw/zinc/96/74/01/1100967401.db2.gz GVIJIRDQGVWEKK-TZMCWYRMSA-N 0 0 336.391 2.524 10 5 EFBERN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)n[nH]1 ZINC001639645718 1100970306 /nfs/dbraw/zinc/97/03/06/1100970306.db2.gz BMFXIJRGHFRFLI-JTQLQIEISA-N 0 0 343.387 2.562 10 5 EFBERN Cn1c2ccccc2c(NCCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1=O ZINC001639699522 1100974742 /nfs/dbraw/zinc/97/47/42/1100974742.db2.gz KMSRDSBPPGAECG-UHFFFAOYSA-N 0 0 347.371 2.590 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC001639714898 1100977661 /nfs/dbraw/zinc/97/76/61/1100977661.db2.gz RQEUXKRNDUQXIY-DIFFPNOSSA-N 0 0 332.331 2.760 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC001639732592 1100978912 /nfs/dbraw/zinc/97/89/12/1100978912.db2.gz JPJBTYDJVZWLPS-ZSBIGDGJSA-N 0 0 331.372 2.941 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001639761663 1100980806 /nfs/dbraw/zinc/98/08/06/1100980806.db2.gz DNWFHWMOXYUTPY-SECBINFHSA-N 0 0 338.726 2.740 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@H](c2cccc(F)c2)C1 ZINC001639761664 1100981299 /nfs/dbraw/zinc/98/12/99/1100981299.db2.gz DNWFHWMOXYUTPY-VIFPVBQESA-N 0 0 338.726 2.740 10 5 EFBERN Cc1c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cnn1-c1ccc(F)cc1 ZINC001639763909 1100982043 /nfs/dbraw/zinc/98/20/43/1100982043.db2.gz XCDIXZMTKOKMSC-UHFFFAOYSA-N 0 0 329.291 2.808 10 5 EFBERN CCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC001639818655 1100985503 /nfs/dbraw/zinc/98/55/03/1100985503.db2.gz OALOYZKIVBTPAB-GFCCVEGCSA-N 0 0 326.780 2.818 10 5 EFBERN CCOC(=O)c1nccc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC001639812704 1100985658 /nfs/dbraw/zinc/98/56/58/1100985658.db2.gz GRVNTKSWDLWTHS-UHFFFAOYSA-N 0 0 340.295 2.902 10 5 EFBERN CC1(C)CC[C@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])O1 ZINC001639824667 1100987656 /nfs/dbraw/zinc/98/76/56/1100987656.db2.gz NQVOFLVBULKPQT-LLVKDONJSA-N 0 0 346.343 2.843 10 5 EFBERN COC(=O)c1ccc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])o1 ZINC001639865751 1100989766 /nfs/dbraw/zinc/98/97/66/1100989766.db2.gz NRCDMFHKELXHLE-UHFFFAOYSA-N 0 0 345.286 2.696 10 5 EFBERN O=[N+]([O-])c1ccn(C2CCN(c3ncnc4[nH]c(Cl)cc43)CC2)n1 ZINC001639871647 1100990772 /nfs/dbraw/zinc/99/07/72/1100990772.db2.gz RFXDJCABUVRBCZ-UHFFFAOYSA-N 0 0 347.766 2.509 10 5 EFBERN Cc1nc(-c2ccnc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)n[nH]1 ZINC001141848323 1100991128 /nfs/dbraw/zinc/99/11/28/1100991128.db2.gz SZQUGWMQKDSELY-UHFFFAOYSA-N 0 0 338.327 2.644 10 5 EFBERN O=Cc1cc(F)c(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1F ZINC001639889853 1100993684 /nfs/dbraw/zinc/99/36/84/1100993684.db2.gz GVBXGSGQBWHYRI-UHFFFAOYSA-N 0 0 334.278 2.658 10 5 EFBERN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc2c1CCCN2 ZINC001639929930 1100996084 /nfs/dbraw/zinc/99/60/84/1100996084.db2.gz GXCCNKZJMMJPCG-UHFFFAOYSA-N 0 0 326.356 2.812 10 5 EFBERN Cc1cc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])ccn1 ZINC001639941359 1100996861 /nfs/dbraw/zinc/99/68/61/1100996861.db2.gz SOMDGEHOVZYCJN-UHFFFAOYSA-N 0 0 339.311 2.789 10 5 EFBERN CCc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc2s1 ZINC001639942148 1100996983 /nfs/dbraw/zinc/99/69/83/1100996983.db2.gz DMQHACQIQCGKCD-UHFFFAOYSA-N 0 0 343.368 2.996 10 5 EFBERN CCN(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N)c1ccccc1 ZINC001639997202 1101000580 /nfs/dbraw/zinc/00/05/80/1101000580.db2.gz DQAPVNMYNIDFTI-UHFFFAOYSA-N 0 0 328.372 2.950 10 5 EFBERN Cc1ccc(NC(=O)c2cc(Cl)nc(N(C)C)c2)c(N)c1[N+](=O)[O-] ZINC001639997109 1101000639 /nfs/dbraw/zinc/00/06/39/1101000639.db2.gz AOLLOMNHNMIQLA-UHFFFAOYSA-N 0 0 349.778 2.852 10 5 EFBERN NC(=O)N1CCC[C@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001639990582 1101000841 /nfs/dbraw/zinc/00/08/41/1101000841.db2.gz DTFFEPWHMKAZSE-SECBINFHSA-N 0 0 346.309 2.816 10 5 EFBERN Cc1ccc(NC(=O)c2cccc(C3OCCO3)c2)c(N)c1[N+](=O)[O-] ZINC001639997380 1101001359 /nfs/dbraw/zinc/00/13/59/1101001359.db2.gz KSLXZDFWYAVBBL-UHFFFAOYSA-N 0 0 343.339 2.783 10 5 EFBERN COc1cccc([C@@H](OC)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001639997706 1101001585 /nfs/dbraw/zinc/00/15/85/1101001585.db2.gz ZXDMWMLKJVFEPC-MRXNPFEDSA-N 0 0 345.355 2.820 10 5 EFBERN COc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1SC ZINC001640016438 1101003562 /nfs/dbraw/zinc/00/35/62/1101003562.db2.gz VQJGUYLSMMYPFM-UHFFFAOYSA-N 0 0 334.357 2.563 10 5 EFBERN CCc1cc(NCc2cnc(C)o2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640015255 1101004064 /nfs/dbraw/zinc/00/40/64/1101004064.db2.gz IIMMVLTWVKDPME-UHFFFAOYSA-N 0 0 339.355 2.945 10 5 EFBERN O=C(N[C@@H]1CO[C@H]1c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001640022239 1101005448 /nfs/dbraw/zinc/00/54/48/1101005448.db2.gz WALWTSMHVCHFCG-PBHICJAKSA-N 0 0 337.335 2.946 10 5 EFBERN O=C1C[C@@H](Oc2cccc(Nc3c(F)cc([N+](=O)[O-])cc3F)c2)N1 ZINC001640025508 1101007523 /nfs/dbraw/zinc/00/75/23/1101007523.db2.gz RGPBBSXFHANIDQ-CQSZACIVSA-N 0 0 335.266 2.841 10 5 EFBERN Cc1ccc(OCC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC001640046428 1101008894 /nfs/dbraw/zinc/00/88/94/1101008894.db2.gz LBDBYNKWLMQAJQ-UHFFFAOYSA-N 0 0 336.294 2.877 10 5 EFBERN CNC(=O)c1ccc(N[C@H](CCO)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001640075681 1101011044 /nfs/dbraw/zinc/01/10/44/1101011044.db2.gz SVEYANFHPVIOEW-CQSZACIVSA-N 0 0 347.346 2.629 10 5 EFBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H](C)C(=O)Nc1ncccc1O ZINC001640085982 1101013041 /nfs/dbraw/zinc/01/30/41/1101013041.db2.gz BQSCEMRIJTZPEV-NXEZZACHSA-N 0 0 348.334 2.910 10 5 EFBERN Cc1cccc2nc(CCNc3cc(F)c([N+](=O)[O-])cc3CO)cn21 ZINC001640109794 1101014968 /nfs/dbraw/zinc/01/49/68/1101014968.db2.gz LUTHTCCGNYCPPB-UHFFFAOYSA-N 0 0 344.346 2.837 10 5 EFBERN O=C(N[C@@H]1CCCc2ccc(F)cc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001640111430 1101015900 /nfs/dbraw/zinc/01/59/00/1101015900.db2.gz DPVCIKHRGFOTHB-SNVBAGLBSA-N 0 0 338.726 2.918 10 5 EFBERN CCOC(=O)c1ccnc(Oc2ccc(C=O)c(F)c2)c1[N+](=O)[O-] ZINC001640119814 1101016181 /nfs/dbraw/zinc/01/61/81/1101016181.db2.gz IKJMKAZTHQLWES-UHFFFAOYSA-N 0 0 334.259 2.910 10 5 EFBERN O=[N+]([O-])c1c(N[C@@H]2COc3cc(F)ccc3C2)nc2sccn21 ZINC001640178340 1101019650 /nfs/dbraw/zinc/01/96/50/1101019650.db2.gz QEXOWKPEYRPVER-JTQLQIEISA-N 0 0 334.332 2.859 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1N[C@H](CO)[C@H](O)c1ccc(Cl)cc1 ZINC001640206242 1101022274 /nfs/dbraw/zinc/02/22/74/1101022274.db2.gz YJJZTKMFBLFRCQ-UKRRQHHQSA-N 0 0 340.738 2.894 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC001640221147 1101025685 /nfs/dbraw/zinc/02/56/85/1101025685.db2.gz MKQUTADOTDANGA-UONOGXRCSA-N 0 0 335.360 2.536 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C2CCC2)[C@H]2CCCO2)n1 ZINC001640221148 1101026232 /nfs/dbraw/zinc/02/62/32/1101026232.db2.gz MKQUTADOTDANGA-ZIAGYGMSSA-N 0 0 335.360 2.536 10 5 EFBERN CC[C@@H](C[C@@H](C)O)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640303927 1101033609 /nfs/dbraw/zinc/03/36/09/1101033609.db2.gz SPUMDLYWWGUQHX-OCCSQVGLSA-N 0 0 330.388 2.744 10 5 EFBERN CC[C@H](C[C@H](C)O)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640303925 1101033733 /nfs/dbraw/zinc/03/37/33/1101033733.db2.gz SPUMDLYWWGUQHX-GXTWGEPZSA-N 0 0 330.388 2.744 10 5 EFBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1c(F)cncc1F ZINC001640333054 1101036334 /nfs/dbraw/zinc/03/63/34/1101036334.db2.gz DOKWVHWTLQEQIT-SSDOTTSWSA-N 0 0 325.246 2.898 10 5 EFBERN CC(=O)c1c(C)cc(Oc2nccc(C(N)=O)c2[N+](=O)[O-])cc1C ZINC001640346844 1101036608 /nfs/dbraw/zinc/03/66/08/1101036608.db2.gz MLIQXQLGCGKEKM-UHFFFAOYSA-N 0 0 329.312 2.700 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nnc(-c2ccco2)o1 ZINC001640361956 1101039345 /nfs/dbraw/zinc/03/93/45/1101039345.db2.gz DLBAOXUSRSWXEO-UHFFFAOYSA-N 0 0 342.311 2.553 10 5 EFBERN O=C(NCc1cc2n(n1)CCCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001640383939 1101040823 /nfs/dbraw/zinc/04/08/23/1101040823.db2.gz ZVXCSJSNINNXFF-UHFFFAOYSA-N 0 0 339.355 2.539 10 5 EFBERN Cc1nn(C)c(NCCc2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC001640407776 1101043641 /nfs/dbraw/zinc/04/36/41/1101043641.db2.gz JQYDWYHYELYBFR-UHFFFAOYSA-N 0 0 326.360 2.681 10 5 EFBERN Cc1[nH+][n-]c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)c-2c1C ZINC001640407872 1101043774 /nfs/dbraw/zinc/04/37/74/1101043774.db2.gz MAFBAVWFIYVQSL-UHFFFAOYSA-N 0 0 346.734 2.784 10 5 EFBERN Cc1nc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[nH]c1C ZINC001640435373 1101045806 /nfs/dbraw/zinc/04/58/06/1101045806.db2.gz WTOBCUPPPROKCR-UHFFFAOYSA-N 0 0 338.371 2.734 10 5 EFBERN O=C(Nc1ccnn1C1CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001640430532 1101045918 /nfs/dbraw/zinc/04/59/18/1101045918.db2.gz DJUYUDFBOAYPED-UHFFFAOYSA-N 0 0 338.327 2.564 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001640441676 1101046874 /nfs/dbraw/zinc/04/68/74/1101046874.db2.gz DEEFTMRCFLFZSS-QLFBSQMISA-N 0 0 332.400 2.753 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@H](c3cnccn3)C2)cc1OC(F)F ZINC001640452790 1101048403 /nfs/dbraw/zinc/04/84/03/1101048403.db2.gz IONIPFGEFYUZKJ-SNVBAGLBSA-N 0 0 336.298 2.980 10 5 EFBERN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001640461723 1101048877 /nfs/dbraw/zinc/04/88/77/1101048877.db2.gz JYTAORUDQSNGPY-BYPYZUCNSA-N 0 0 336.661 2.953 10 5 EFBERN C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc(F)c1 ZINC001640466983 1101050579 /nfs/dbraw/zinc/05/05/79/1101050579.db2.gz MBAICFJUWWDVJE-QHCPKHFHSA-N 0 0 337.332 2.613 10 5 EFBERN CC(F)(F)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC001640465442 1101050599 /nfs/dbraw/zinc/05/05/99/1101050599.db2.gz WNSZKOFBCVHRCD-UHFFFAOYSA-N 0 0 336.342 2.920 10 5 EFBERN CC1(C)C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC001640481825 1101051676 /nfs/dbraw/zinc/05/16/76/1101051676.db2.gz 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CN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2cc(F)ccc21 ZINC001126562100 1101078271 /nfs/dbraw/zinc/07/82/71/1101078271.db2.gz KNJSQFBKPAHHIV-UHFFFAOYSA-N 0 0 347.321 2.899 10 5 EFBERN Cn1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(C(F)F)n1 ZINC001640906632 1101087169 /nfs/dbraw/zinc/08/71/69/1101087169.db2.gz FPIFGJWHIWYIFE-UHFFFAOYSA-N 0 0 328.250 2.586 10 5 EFBERN Cc1nn(CC(=O)c2ccc3c(c2)COC3)c2ncc([N+](=O)[O-])cc12 ZINC001640950128 1101090159 /nfs/dbraw/zinc/09/01/59/1101090159.db2.gz SOMSRXJNBCDQLG-UHFFFAOYSA-N 0 0 338.323 2.561 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001640943975 1101090313 /nfs/dbraw/zinc/09/03/13/1101090313.db2.gz BFOCLALBSZFFCP-UHFFFAOYSA-N 0 0 349.730 2.854 10 5 EFBERN CCn1c(SCc2cccnc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC001640978030 1101093086 /nfs/dbraw/zinc/09/30/86/1101093086.db2.gz QBKKJWXHULVTIG-UHFFFAOYSA-N 0 0 342.384 2.956 10 5 EFBERN C/C(=C\C(=O)N1CCCc2c(cnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000840492886 1101095911 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Cc1cc(OCC(=O)O[C@@H]2CCCC(C)(C)C2=O)ccc1[N+](=O)[O-] ZINC000840541737 1101125923 /nfs/dbraw/zinc/12/59/23/1101125923.db2.gz MPRLHZRSXIYFLG-CQSZACIVSA-N 0 0 335.356 2.973 10 5 EFBERN COC(=O)c1nn(Cc2ncc(-c3ccc(C)cc3)o2)cc1[N+](=O)[O-] ZINC001641374815 1101130976 /nfs/dbraw/zinc/13/09/76/1101130976.db2.gz SDNTYAVZADZLPJ-UHFFFAOYSA-N 0 0 342.311 2.590 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC001641391743 1101131675 /nfs/dbraw/zinc/13/16/75/1101131675.db2.gz UUASBLWJXGMMPM-LBPRGKRZSA-N 0 0 326.356 2.592 10 5 EFBERN O=c1cc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)nc(C2CC2)[nH]1 ZINC001641480948 1101141237 /nfs/dbraw/zinc/14/12/37/1101141237.db2.gz FSTODDGMUOYTEA-UHFFFAOYSA-N 0 0 337.339 2.880 10 5 EFBERN Cc1nocc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001641566166 1101146564 /nfs/dbraw/zinc/14/65/64/1101146564.db2.gz XITFYKSOCOEZGD-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN Cc1cc(OCC(=O)Nc2nccc3cc[nH]c32)ccc1[N+](=O)[O-] ZINC001641628091 1101151899 /nfs/dbraw/zinc/15/18/99/1101151899.db2.gz FVVXOAREHUWZCG-UHFFFAOYSA-N 0 0 326.312 2.797 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC001641726383 1101160379 /nfs/dbraw/zinc/16/03/79/1101160379.db2.gz MREJSZNRUDKTSD-ZDUSSCGKSA-N 0 0 347.758 2.953 10 5 EFBERN O=C(NCc1cc(F)cnc1Cl)c1cc(F)ccc1[N+](=O)[O-] ZINC001641733826 1101161396 /nfs/dbraw/zinc/16/13/96/1101161396.db2.gz LHMNUMYQUIBJGA-UHFFFAOYSA-N 0 0 327.674 2.851 10 5 EFBERN O=C(CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC001641972784 1101181255 /nfs/dbraw/zinc/18/12/55/1101181255.db2.gz PUWXIQMLIIEDMM-UHFFFAOYSA-N 0 0 326.280 2.547 10 5 EFBERN O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC001642008622 1101181731 /nfs/dbraw/zinc/18/17/31/1101181731.db2.gz KKQPLARMUGETGY-ARFHVFGLSA-N 0 0 330.290 2.941 10 5 EFBERN NC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC001642036828 1101183804 /nfs/dbraw/zinc/18/38/04/1101183804.db2.gz ZPKNVNWEUQHSJA-UHFFFAOYSA-N 0 0 340.261 2.720 10 5 EFBERN COC(=O)Cc1ccc(NCCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC001642032697 1101184205 /nfs/dbraw/zinc/18/42/05/1101184205.db2.gz KYBJERXCHQATGT-UHFFFAOYSA-N 0 0 348.330 2.940 10 5 EFBERN Nc1ccc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC001642046345 1101185985 /nfs/dbraw/zinc/18/59/85/1101185985.db2.gz YVSLYJMVVNOQPR-AWEZNQCLSA-N 0 0 343.339 2.597 10 5 EFBERN CCOCc1nc(C)cc(NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001642059801 1101187088 /nfs/dbraw/zinc/18/70/88/1101187088.db2.gz XYVIJDSLGDFGDN-UHFFFAOYSA-N 0 0 331.376 2.754 10 5 EFBERN CC(C)Cc1ccccc1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001642086316 1101189828 /nfs/dbraw/zinc/18/98/28/1101189828.db2.gz JSTRTNDSMXVBSO-UHFFFAOYSA-N 0 0 328.372 2.701 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCNc1cnccn1 ZINC001642143994 1101191697 /nfs/dbraw/zinc/19/16/97/1101191697.db2.gz XSFXGYCLDQJHDA-UHFFFAOYSA-N 0 0 344.762 2.532 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC001642161119 1101192962 /nfs/dbraw/zinc/19/29/62/1101192962.db2.gz NLAKZXZFKSMIQI-LLVKDONJSA-N 0 0 335.795 2.920 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001642169414 1101194039 /nfs/dbraw/zinc/19/40/39/1101194039.db2.gz MKAISOVFDQEZPY-UHFFFAOYSA-N 0 0 349.354 2.674 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1(Br)CC1 ZINC001642196521 1101196701 /nfs/dbraw/zinc/19/67/01/1101196701.db2.gz PDDPSEZLZISTRO-UHFFFAOYSA-N 0 0 347.596 2.834 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCC3CCOCC3)c2c1 ZINC001642275536 1101202431 /nfs/dbraw/zinc/20/24/31/1101202431.db2.gz UQIMYFVUTNUJCL-UHFFFAOYSA-N 0 0 346.343 2.702 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3ncc(C)s3)c2c1 ZINC001642282865 1101204087 /nfs/dbraw/zinc/20/40/87/1101204087.db2.gz YJVIFMXNEUSTAL-UHFFFAOYSA-N 0 0 330.369 2.951 10 5 EFBERN Cc1cc(N[C@H](CC(N)=O)c2ccccc2Cl)ncc1[N+](=O)[O-] ZINC001642362608 1101208276 /nfs/dbraw/zinc/20/82/76/1101208276.db2.gz LTDFAWYKOYBJBU-GFCCVEGCSA-N 0 0 334.763 2.980 10 5 EFBERN O=C(NCc1ccccc1-c1ncc[nH]1)c1ccc([N+](=O)[O-])s1 ZINC001642443351 1101214063 /nfs/dbraw/zinc/21/40/63/1101214063.db2.gz CBBOGCTYOWQVMK-UHFFFAOYSA-N 0 0 328.353 2.976 10 5 EFBERN COCc1cc(O)ccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001642478623 1101216473 /nfs/dbraw/zinc/21/64/73/1101216473.db2.gz WTWBBQJVTVXRFT-UHFFFAOYSA-N 0 0 342.311 2.575 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC001642508109 1101218640 /nfs/dbraw/zinc/21/86/40/1101218640.db2.gz UEBABLUHFWAIOJ-XJKSGUPXSA-N 0 0 330.315 2.682 10 5 EFBERN CO[C@H]1CCC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001642508968 1101218973 /nfs/dbraw/zinc/21/89/73/1101218973.db2.gz QSEUUAUJJZTNGB-BONVTDFDSA-N 0 0 346.343 2.700 10 5 EFBERN CC(C)(CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)n1cccn1 ZINC001642530330 1101220183 /nfs/dbraw/zinc/22/01/83/1101220183.db2.gz TYELFCVEMWXPFF-UHFFFAOYSA-N 0 0 345.403 2.535 10 5 EFBERN CNC(=O)[C@@H](Cc1ccccc1)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001642566051 1101224183 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Cc1coc(C)c1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001642855930 1101249024 /nfs/dbraw/zinc/24/90/24/1101249024.db2.gz GSINSBGNOZZKMD-UHFFFAOYSA-N 0 0 343.383 2.763 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC001642863304 1101250378 /nfs/dbraw/zinc/25/03/78/1101250378.db2.gz NJFNQVIHHAXNEX-UHFFFAOYSA-N 0 0 345.359 2.593 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)nc1 ZINC001642881995 1101253086 /nfs/dbraw/zinc/25/30/86/1101253086.db2.gz XQGSZKKZNLWHIG-BZUAXINKSA-N 0 0 326.356 2.884 10 5 EFBERN CCC[C@H](C)N1C[C@@H](C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC001642928635 1101257927 /nfs/dbraw/zinc/25/79/27/1101257927.db2.gz AHAWHQOIOWESBH-ZFWWWQNUSA-N 0 0 347.415 2.557 10 5 EFBERN CN(CCOCCNc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001642955181 1101259153 /nfs/dbraw/zinc/25/91/53/1101259153.db2.gz RKYVOHBNEFOWLC-UHFFFAOYSA-N 0 0 339.392 2.890 10 5 EFBERN C[C@]1(CNc2c(Cl)cncc2[N+](=O)[O-])COc2ccccc2O1 ZINC001642982261 1101261412 /nfs/dbraw/zinc/26/14/12/1101261412.db2.gz YEDCYNYUWHBBLX-HNNXBMFYSA-N 0 0 335.747 2.707 10 5 EFBERN O=c1[nH]ccc(NCCn2cncc2-c2ccccc2)c1[N+](=O)[O-] ZINC001643002264 1101262635 /nfs/dbraw/zinc/26/26/35/1101262635.db2.gz GBSMDGKQVUAIQH-UHFFFAOYSA-N 0 0 325.328 2.671 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccn(CCF)n1 ZINC001643018893 1101263788 /nfs/dbraw/zinc/26/37/88/1101263788.db2.gz VOSKVQDWIQOLKB-UHFFFAOYSA-N 0 0 335.339 2.592 10 5 EFBERN Cc1cncc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC001643057814 1101267227 /nfs/dbraw/zinc/26/72/27/1101267227.db2.gz NITGBGAUJLSBTP-AWEZNQCLSA-N 0 0 326.356 2.858 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC001643064205 1101267884 /nfs/dbraw/zinc/26/78/84/1101267884.db2.gz YCFVTDCEFUSQLV-MGCOHNPYSA-N 0 0 340.355 2.844 10 5 EFBERN C[C@@H](O)C1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001643078440 1101268465 /nfs/dbraw/zinc/26/84/65/1101268465.db2.gz QGYLUBXROPUEBH-SNVBAGLBSA-N 0 0 346.343 2.648 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@H]1C1CCOCC1 ZINC001643094819 1101269295 /nfs/dbraw/zinc/26/92/95/1101269295.db2.gz DPZTWFBHEQOTJS-SWLSCSKDSA-N 0 0 334.372 2.917 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001643102777 1101269565 /nfs/dbraw/zinc/26/95/65/1101269565.db2.gz WYZOJVAVMDLBRJ-LLVKDONJSA-N 0 0 339.396 2.530 10 5 EFBERN Cc1nn(C)c(Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c1[N+](=O)[O-] ZINC001643087918 1101269883 /nfs/dbraw/zinc/26/98/83/1101269883.db2.gz NKFIORCVKKYDCG-UHFFFAOYSA-N 0 0 345.359 2.737 10 5 EFBERN CC(=O)c1ccc(NC[C@H]2CCN(CC(F)F)C2)c([N+](=O)[O-])c1 ZINC001643105610 1101270652 /nfs/dbraw/zinc/27/06/52/1101270652.db2.gz KWFIVRSEHJUARM-LLVKDONJSA-N 0 0 327.331 2.796 10 5 EFBERN CNC(=O)N(C)c1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001643118899 1101271552 /nfs/dbraw/zinc/27/15/52/1101271552.db2.gz SUIZRXSQKDSMPE-UHFFFAOYSA-N 0 0 335.751 2.584 10 5 EFBERN CSc1cccc(C(=O)NCc2cc(C)[nH]c(=O)c2)c1[N+](=O)[O-] ZINC001643131838 1101272930 /nfs/dbraw/zinc/27/29/30/1101272930.db2.gz HLZSBODYCTWZDB-UHFFFAOYSA-N 0 0 333.369 2.656 10 5 EFBERN CC[C@H]1COCCN1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001643145102 1101274156 /nfs/dbraw/zinc/27/41/56/1101274156.db2.gz GUIDASGNNCYJRJ-ZDUSSCGKSA-N 0 0 330.388 2.666 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001643152264 1101275588 /nfs/dbraw/zinc/27/55/88/1101275588.db2.gz AVTKHRGMSJJVJM-QLJPJBMISA-N 0 0 333.344 2.541 10 5 EFBERN COC(=O)CC1CC(Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001643180218 1101276447 /nfs/dbraw/zinc/27/64/47/1101276447.db2.gz OMGHKFIYBLKNPO-UHFFFAOYSA-N 0 0 349.774 2.972 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCC3(C4(O)CCC4)CCC3)cc2N1 ZINC001643171894 1101277273 /nfs/dbraw/zinc/27/72/73/1101277273.db2.gz CMLYQQJWHSIWAK-UHFFFAOYSA-N 0 0 345.399 2.977 10 5 EFBERN CN(C)c1ccnc(CNc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC001643190339 1101278317 /nfs/dbraw/zinc/27/83/17/1101278317.db2.gz IWHRBHINPMDMSO-UHFFFAOYSA-N 0 0 330.373 2.673 10 5 EFBERN C[C@@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCO1 ZINC001643210072 1101280116 /nfs/dbraw/zinc/28/01/16/1101280116.db2.gz QNOPKXUZUVBUNJ-SNVBAGLBSA-N 0 0 332.316 2.666 10 5 EFBERN CCOC(=O)c1nc[nH]c1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001643234522 1101283628 /nfs/dbraw/zinc/28/36/28/1101283628.db2.gz KCSXYPSEUUYJGZ-UHFFFAOYSA-N 0 0 341.327 2.655 10 5 EFBERN CCOC(=O)c1nc[nH]c1CNc1ncc([N+](=O)[O-])c2ccccc12 ZINC001643234898 1101283812 /nfs/dbraw/zinc/28/38/12/1101283812.db2.gz ZDDKJMBFKXTRKF-UHFFFAOYSA-N 0 0 341.327 2.655 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2sncc2Br)c(F)c1 ZINC001643241487 1101284053 /nfs/dbraw/zinc/28/40/53/1101284053.db2.gz YOIGNWPZHDIRIY-UHFFFAOYSA-N 0 0 333.142 2.960 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H]2CCCC3(CCC3)O2)c1[N+](=O)[O-] ZINC001643255786 1101284604 /nfs/dbraw/zinc/28/46/04/1101284604.db2.gz CMTOOPYHEKCJLI-NSHDSACASA-N 0 0 335.360 2.680 10 5 EFBERN Cc1noc(Cc2ccc(Nc3ncc([N+](=O)[O-])c(C)n3)cc2)n1 ZINC001643256152 1101284820 /nfs/dbraw/zinc/28/48/20/1101284820.db2.gz JJHLAAUEAAMMGO-UHFFFAOYSA-N 0 0 326.316 2.719 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCn3nc(C4CC4)cc3C2)c([N+](=O)[O-])c1 ZINC001643261898 1101284916 /nfs/dbraw/zinc/28/49/16/1101284916.db2.gz FAZJFVCHBMGTEW-UHFFFAOYSA-N 0 0 329.316 2.597 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2CCCC3(CCC3)O2)c1[N+](=O)[O-] ZINC001643255785 1101284988 /nfs/dbraw/zinc/28/49/88/1101284988.db2.gz CMTOOPYHEKCJLI-LLVKDONJSA-N 0 0 335.360 2.680 10 5 EFBERN CCOc1ccc(CCNc2nccc(C(=O)OC)c2[N+](=O)[O-])cc1 ZINC001643270897 1101286467 /nfs/dbraw/zinc/28/64/67/1101286467.db2.gz SLUVUVDIAZSTBS-UHFFFAOYSA-N 0 0 345.355 2.830 10 5 EFBERN COc1cc(NCc2ccc3nonc3c2)c([N+](=O)[O-])cc1OC ZINC001643286850 1101286963 /nfs/dbraw/zinc/28/69/63/1101286963.db2.gz DDCDUJQLWVAMPX-UHFFFAOYSA-N 0 0 330.300 2.760 10 5 EFBERN C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cc2cnccc2o1 ZINC001643339215 1101291837 /nfs/dbraw/zinc/29/18/37/1101291837.db2.gz JVCNMIKFSHDAGU-SECBINFHSA-N 0 0 326.312 2.809 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)c1ccccc1 ZINC001643380269 1101293932 /nfs/dbraw/zinc/29/39/32/1101293932.db2.gz XWFSXOBSTXXRIY-OAHLLOKOSA-N 0 0 327.340 2.568 10 5 EFBERN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1noc(C(F)(F)F)n1 ZINC001643382034 1101294648 /nfs/dbraw/zinc/29/46/48/1101294648.db2.gz IEWRFHFAOUIKRR-SCSAIBSYSA-N 0 0 336.251 2.549 10 5 EFBERN CCc1csc([C@H](C)NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001643382733 1101295341 /nfs/dbraw/zinc/29/53/41/1101295341.db2.gz UUHYEPTZFFBJOZ-TVQRCGJNSA-N 0 0 335.385 2.525 10 5 EFBERN CCc1csc([C@H](C)NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001643382735 1101295519 /nfs/dbraw/zinc/29/55/19/1101295519.db2.gz UUHYEPTZFFBJOZ-ZANVPECISA-N 0 0 335.385 2.525 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC001643406861 1101296225 /nfs/dbraw/zinc/29/62/25/1101296225.db2.gz QTDXFMQNGWMLIQ-KRWDZBQOSA-N 0 0 349.350 2.501 10 5 EFBERN C[C@H](C(=O)N1Cc2cncnc2[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001643408205 1101296968 /nfs/dbraw/zinc/29/69/68/1101296968.db2.gz NAZRMPAEUAXWMJ-RYUDHWBXSA-N 0 0 326.356 2.634 10 5 EFBERN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccncc1 ZINC001643422923 1101297959 /nfs/dbraw/zinc/29/79/59/1101297959.db2.gz CSMOUPRTDVFUMI-UHFFFAOYSA-N 0 0 346.393 2.752 10 5 EFBERN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC001643493119 1101303279 /nfs/dbraw/zinc/30/32/79/1101303279.db2.gz DEHSLEORYFVLAB-XHDPSFHLSA-N 0 0 329.331 2.910 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cc(Cl)ccn1 ZINC001643512208 1101304914 /nfs/dbraw/zinc/30/49/14/1101304914.db2.gz XRCMKSZYKYFEIL-UHFFFAOYSA-N 0 0 326.761 2.926 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1O ZINC001651312561 1101307589 /nfs/dbraw/zinc/30/75/89/1101307589.db2.gz LAKQPMUBRLTDNL-UHFFFAOYSA-N 0 0 325.367 2.855 10 5 EFBERN CN(Cc1ccc(Br)cc1F)c1nn(C)cc1[N+](=O)[O-] ZINC001651307366 1101308842 /nfs/dbraw/zinc/30/88/42/1101308842.db2.gz BYYUOAAZARCCDV-UHFFFAOYSA-N 0 0 343.156 2.866 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@H](CO)Cc2ccco2)c2ccccc21 ZINC001651344385 1101313163 /nfs/dbraw/zinc/31/31/63/1101313163.db2.gz AXIJOVOGOOIXPT-GFCCVEGCSA-N 0 0 327.340 2.999 10 5 EFBERN CCC(=O)c1ccc(NCC[C@H]2CCCS2(=O)=O)c([N+](=O)[O-])c1 ZINC001651373014 1101317490 /nfs/dbraw/zinc/31/74/90/1101317490.db2.gz IXBZZGJGLKIVNT-GFCCVEGCSA-N 0 0 340.401 2.567 10 5 EFBERN Cc1cc(CN(C)c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])no1 ZINC001651365368 1101317844 /nfs/dbraw/zinc/31/78/44/1101317844.db2.gz KCCNPNONGLPCPP-UHFFFAOYSA-N 0 0 343.299 2.984 10 5 EFBERN Cc1nc(NCCN2c3ccccc3CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001651384882 1101320422 /nfs/dbraw/zinc/32/04/22/1101320422.db2.gz RNXSXHMYFDBJKL-GFCCVEGCSA-N 0 0 327.388 2.946 10 5 EFBERN COC(=O)c1ccnc(NCc2ccc3c(c2)C[C@@H](C)O3)c1[N+](=O)[O-] ZINC001651398506 1101321636 /nfs/dbraw/zinc/32/16/36/1101321636.db2.gz PIVBGPFPMNYCKJ-SNVBAGLBSA-N 0 0 343.339 2.712 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)Cc1ccc(F)cc1 ZINC001651420861 1101326496 /nfs/dbraw/zinc/32/64/96/1101326496.db2.gz GQAVVWHPPQYCBP-GFCCVEGCSA-N 0 0 325.727 2.798 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3nccn3C(F)F)c2c1 ZINC001651421615 1101327150 /nfs/dbraw/zinc/32/71/50/1101327150.db2.gz IQMRCXSVUSMFRQ-UHFFFAOYSA-N 0 0 349.297 2.777 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](c3ncccn3)C3CC3)cc2N1 ZINC001651440863 1101330270 /nfs/dbraw/zinc/33/02/70/1101330270.db2.gz NTOHSVRNFUHEGM-MRXNPFEDSA-N 0 0 339.355 2.833 10 5 EFBERN CC[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001651436133 1101330859 /nfs/dbraw/zinc/33/08/59/1101330859.db2.gz HHUFYUPUGATACX-VIFPVBQESA-N 0 0 329.784 2.845 10 5 EFBERN CC(C)(C)c1ccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)s1 ZINC001651472318 1101335019 /nfs/dbraw/zinc/33/50/19/1101335019.db2.gz VFNLIPCZQGVWKM-UHFFFAOYSA-N 0 0 335.385 2.984 10 5 EFBERN C[C@]1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1(Cl)Cl ZINC000828798497 1101335361 /nfs/dbraw/zinc/33/53/61/1101335361.db2.gz LADRGWIHSAGEBZ-GFCCVEGCSA-N 0 0 346.170 2.922 10 5 EFBERN COC(=O)CC1(CNc2c(Cl)cncc2[N+](=O)[O-])CCCC1 ZINC001651487727 1101336978 /nfs/dbraw/zinc/33/69/78/1101336978.db2.gz SILIYZGSIGHRFT-UHFFFAOYSA-N 0 0 327.768 2.601 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001651499161 1101338528 /nfs/dbraw/zinc/33/85/28/1101338528.db2.gz SWCPCDQDXJDOEC-KOLCDFICSA-N 0 0 341.795 2.987 10 5 EFBERN CCOCc1nc(C)cc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)n1 ZINC001651511815 1101341581 /nfs/dbraw/zinc/34/15/81/1101341581.db2.gz ZODYPLQWYNMXAT-UHFFFAOYSA-N 0 0 347.327 2.809 10 5 EFBERN CCC1(O)CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001651569288 1101348831 /nfs/dbraw/zinc/34/88/31/1101348831.db2.gz ANOBYIVIEUZGBF-UHFFFAOYSA-N 0 0 346.343 2.793 10 5 EFBERN CC(C)OC(=O)[C@@H](C)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001651582718 1101351103 /nfs/dbraw/zinc/35/11/03/1101351103.db2.gz HRNSVYBLJZDOLH-JTQLQIEISA-N 0 0 335.335 2.704 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N[C@@H](CO)Cc3ccc(O)cc3)sc2c1 ZINC001651581020 1101352751 /nfs/dbraw/zinc/35/27/51/1101352751.db2.gz WPIDUYPJJWVPSD-LLVKDONJSA-N 0 0 345.380 2.926 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@@H]1CCc2c[nH]nc2C1 ZINC001651647741 1101361842 /nfs/dbraw/zinc/36/18/42/1101361842.db2.gz RXEAKNXBJJGPCT-LLVKDONJSA-N 0 0 343.774 2.911 10 5 EFBERN CC[C@@H](Nc1nc(N)nc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC001651654438 1101361872 /nfs/dbraw/zinc/36/18/72/1101361872.db2.gz FHVVZZNLIGMUEW-SECBINFHSA-N 0 0 342.281 2.944 10 5 EFBERN Nc1nc(Cl)c(N)c(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001651690462 1101369785 /nfs/dbraw/zinc/36/97/85/1101369785.db2.gz UAWRKLJGEVCKMM-UHFFFAOYSA-N 0 0 343.174 2.511 10 5 EFBERN CNC(=O)[C@@H](Cc1ccccc1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001651744214 1101375087 /nfs/dbraw/zinc/37/50/87/1101375087.db2.gz JENUVYQBTWJBOD-CQSZACIVSA-N 0 0 335.310 2.642 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001651751500 1101376624 /nfs/dbraw/zinc/37/66/24/1101376624.db2.gz PRLMPTKLIKMJHL-SECBINFHSA-N 0 0 332.335 2.600 10 5 EFBERN CC1(C)CC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651755098 1101378183 /nfs/dbraw/zinc/37/81/83/1101378183.db2.gz FHAUVSUOXPGYDD-LBPRGKRZSA-N 0 0 330.388 2.956 10 5 EFBERN O=[N+]([O-])c1cccc(OCCOc2nccc(C(F)(F)F)n2)c1 ZINC001651774864 1101381509 /nfs/dbraw/zinc/38/15/09/1101381509.db2.gz ORMIHQXHIRQDPM-UHFFFAOYSA-N 0 0 329.234 2.861 10 5 EFBERN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccsc1 ZINC001651787413 1101382108 /nfs/dbraw/zinc/38/21/08/1101382108.db2.gz YHVJUEIGNAVRPH-UHFFFAOYSA-N 0 0 341.348 2.763 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1Cn1nnnc1CCc1ccccc1 ZINC001651808056 1101388183 /nfs/dbraw/zinc/38/81/83/1101388183.db2.gz XXCGQNKNYOSADG-UHFFFAOYSA-N 0 0 327.319 2.554 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc2nsnc21 ZINC001651816629 1101389771 /nfs/dbraw/zinc/38/97/71/1101389771.db2.gz XVOXGUCZRMKNHR-UHFFFAOYSA-N 0 0 344.352 2.538 10 5 EFBERN Cc1nn(Cc2nccn2-c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC001651837846 1101391692 /nfs/dbraw/zinc/39/16/92/1101391692.db2.gz SIIPTEVVQUPMDM-UHFFFAOYSA-N 0 0 334.339 2.882 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1csc(-c2ccccc2F)n1 ZINC001651834934 1101391826 /nfs/dbraw/zinc/39/18/26/1101391826.db2.gz KITYQZZZXXCQCY-UHFFFAOYSA-N 0 0 333.304 2.833 10 5 EFBERN O=C(NCc1ccccc1-n1cccn1)c1c(F)cccc1[N+](=O)[O-] ZINC001266289475 1101394146 /nfs/dbraw/zinc/39/41/46/1101394146.db2.gz QSEOKBBEQCMOFK-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2nc(-c3ccccn3)n[nH]2)c2ccccc21 ZINC001651849368 1101396026 /nfs/dbraw/zinc/39/60/26/1101396026.db2.gz WJUITYLGHWEEHX-UHFFFAOYSA-N 0 0 347.338 2.935 10 5 EFBERN CCOC(=O)COCCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001651861033 1101397436 /nfs/dbraw/zinc/39/74/36/1101397436.db2.gz SWXIORAIYSLCJJ-UHFFFAOYSA-N 0 0 337.159 2.893 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CCc2ccc3c(c2)OC(F)(F)O3)c1=O ZINC001651879012 1101398751 /nfs/dbraw/zinc/39/87/51/1101398751.db2.gz HVKXXGSUVBFEOS-UHFFFAOYSA-N 0 0 338.266 2.629 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@H]1CCCC2(CCC2)O1 ZINC001651879542 1101400197 /nfs/dbraw/zinc/40/01/97/1101400197.db2.gz ZSSULNCQYOPXEP-CQSZACIVSA-N 0 0 345.355 2.903 10 5 EFBERN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC001651893031 1101401643 /nfs/dbraw/zinc/40/16/43/1101401643.db2.gz RTXDBLOOIXOQCE-HNNXBMFYSA-N 0 0 328.372 2.841 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC2(CCC2)O1 ZINC001651939290 1101406913 /nfs/dbraw/zinc/40/69/13/1101406913.db2.gz NEYJCKMYSLGOMO-ZDUSSCGKSA-N 0 0 331.328 2.513 10 5 EFBERN COC(=O)Cc1ccc(NCc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC001651932625 1101407080 /nfs/dbraw/zinc/40/70/80/1101407080.db2.gz FCVPNGDTIQMMKP-UHFFFAOYSA-N 0 0 335.747 2.971 10 5 EFBERN COC(=O)c1cnc(Sc2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC001651936084 1101407574 /nfs/dbraw/zinc/40/75/74/1101407574.db2.gz DDJKWMCKBDDOSE-UHFFFAOYSA-N 0 0 330.325 2.804 10 5 EFBERN Cc1cccnc1NC(=O)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001651928335 1101407592 /nfs/dbraw/zinc/40/75/92/1101407592.db2.gz WVTCVGQKFDMRKC-UHFFFAOYSA-N 0 0 335.751 2.787 10 5 EFBERN CCC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C1CCC1 ZINC001651933242 1101407836 /nfs/dbraw/zinc/40/78/36/1101407836.db2.gz ROVFPOXVRWPHRD-CYBMUJFWSA-N 0 0 341.433 2.884 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H](CO)c3cccnc3)c2c1 ZINC001651959319 1101410752 /nfs/dbraw/zinc/41/07/52/1101410752.db2.gz QFWFKAGTKAAREJ-ZDUSSCGKSA-N 0 0 345.746 2.732 10 5 EFBERN Cc1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001651963739 1101411810 /nfs/dbraw/zinc/41/18/10/1101411810.db2.gz KROKIKAMFSXIGT-UHFFFAOYSA-N 0 0 336.325 2.785 10 5 EFBERN COc1ccccc1CN(C)C(=O)COc1ccsc1[N+](=O)[O-] ZINC001651989571 1101415209 /nfs/dbraw/zinc/41/52/09/1101415209.db2.gz WWKLHQVCMWXOQP-UHFFFAOYSA-N 0 0 336.369 2.702 10 5 EFBERN CC[C@H](C(=O)N(C)c1ccc(C)cc1)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001652004743 1101416472 /nfs/dbraw/zinc/41/64/72/1101416472.db2.gz CCUOICQEHWRQMS-GFCCVEGCSA-N 0 0 347.331 2.622 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NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001652204432 1101451306 /nfs/dbraw/zinc/45/13/06/1101451306.db2.gz LEADQPFXJFPOIB-CHWSQXEVSA-N 0 0 348.309 2.550 10 5 EFBERN C[C@H](Sc1nc(CO)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001652230538 1101456383 /nfs/dbraw/zinc/45/63/83/1101456383.db2.gz AHQLAQZDLQOAOJ-QMMMGPOBSA-N 0 0 339.398 2.663 10 5 EFBERN CO[C@@H](Cn1nnc(-c2ccccc2[N+](=O)[O-])n1)c1ccc(F)cc1 ZINC001652240260 1101459079 /nfs/dbraw/zinc/45/90/79/1101459079.db2.gz MLQJHHPWAUHGGP-HNNXBMFYSA-N 0 0 343.318 2.775 10 5 EFBERN CC(=O)Nc1cccc(COc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001652250314 1101461109 /nfs/dbraw/zinc/46/11/09/1101461109.db2.gz XSWZKMDOFXSADH-UHFFFAOYSA-N 0 0 344.323 2.903 10 5 EFBERN Cc1cc(N2CC(=O)NC[C@H]2c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001652258901 1101461214 /nfs/dbraw/zinc/46/12/14/1101461214.db2.gz WLYXXIYGCKIRSC-INIZCTEOSA-N 0 0 329.331 2.720 10 5 EFBERN COc1cc(CN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)sn1 ZINC001652269744 1101464392 /nfs/dbraw/zinc/46/43/92/1101464392.db2.gz FCHJQMDQSLLEEP-UHFFFAOYSA-N 0 0 334.401 2.970 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc3c([nH]2)CCCC3)c1 ZINC001652267207 1101464886 /nfs/dbraw/zinc/46/48/86/1101464886.db2.gz JJNSSMYEHZUGLJ-UHFFFAOYSA-N 0 0 330.344 2.595 10 5 EFBERN CCOC(=O)c1nc[nH]c1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001652272910 1101466482 /nfs/dbraw/zinc/46/64/82/1101466482.db2.gz KWGPNNIVIDMVCH-UHFFFAOYSA-N 0 0 341.327 2.655 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001652282138 1101468936 /nfs/dbraw/zinc/46/89/36/1101468936.db2.gz KYSNMQVAAUVBPW-AEISUSGSSA-N 0 0 342.321 2.996 10 5 EFBERN Cc1noc(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001652280593 1101469480 /nfs/dbraw/zinc/46/94/80/1101469480.db2.gz WGFNGAUCGSXLAZ-NSHDSACASA-N 0 0 347.331 2.654 10 5 EFBERN Cc1noc(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001652280592 1101469770 /nfs/dbraw/zinc/46/97/70/1101469770.db2.gz WGFNGAUCGSXLAZ-LLVKDONJSA-N 0 0 347.331 2.654 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2CSC[C@@]2(C)C1 ZINC001652306122 1101472918 /nfs/dbraw/zinc/47/29/18/1101472918.db2.gz YAARYVIAIGBUAP-WRWORJQWSA-N 0 0 336.339 2.536 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC001652308189 1101473391 /nfs/dbraw/zinc/47/33/91/1101473391.db2.gz XTDPJNYFRJYUKO-PWSUYJOCSA-N 0 0 347.371 2.623 10 5 EFBERN Cc1ncccc1CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001652307334 1101473962 /nfs/dbraw/zinc/47/39/62/1101473962.db2.gz DAATXQNUYJHVCJ-UHFFFAOYSA-N 0 0 338.367 2.805 10 5 EFBERN CCC(=O)c1ccc(N2CCn3c(C)nnc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001652339086 1101478469 /nfs/dbraw/zinc/47/84/69/1101478469.db2.gz AUKORIGRTQOBEY-JTQLQIEISA-N 0 0 329.360 2.669 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c(NCCN2CCNC2=S)c(Cl)c1 ZINC001652341855 1101481773 /nfs/dbraw/zinc/48/17/73/1101481773.db2.gz AGHATHLJHNHQEW-UHFFFAOYSA-N 0 0 335.216 2.504 10 5 EFBERN COc1cccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C ZINC001652365610 1101483474 /nfs/dbraw/zinc/48/34/74/1101483474.db2.gz CROLFHUTTBRKJJ-UHFFFAOYSA-N 0 0 326.308 2.708 10 5 EFBERN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)O1 ZINC001652441807 1101490166 /nfs/dbraw/zinc/49/01/66/1101490166.db2.gz WYEHYSJIBSWUNH-SNVBAGLBSA-N 0 0 342.779 2.653 10 5 EFBERN CCc1nc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c[nH]1 ZINC001652463514 1101491351 /nfs/dbraw/zinc/49/13/51/1101491351.db2.gz BSLVQZGPFXZQMO-UHFFFAOYSA-N 0 0 346.390 2.897 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CSc2nc[nH]n2)o1 ZINC001652480086 1101495471 /nfs/dbraw/zinc/49/54/71/1101495471.db2.gz STUPQFZMGSMTIW-UHFFFAOYSA-N 0 0 338.736 2.709 10 5 EFBERN Cn1c(N)nnc1SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001652486197 1101498160 /nfs/dbraw/zinc/49/81/60/1101498160.db2.gz ZQPRGXZHYHEXKH-UHFFFAOYSA-N 0 0 334.188 2.905 10 5 EFBERN CO[C@@H](Cc1ccccc1)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC001652572671 1101513751 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Cc1cc([N+](=O)[O-])cn(Cc2cnc(N(C)C)c3ccccc23)c1=O ZINC001652730275 1101537542 /nfs/dbraw/zinc/53/75/42/1101537542.db2.gz NPTCSYWYOZVOPP-UHFFFAOYSA-N 0 0 338.367 2.727 10 5 EFBERN Cn1cc(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc21 ZINC001167086287 1101539214 /nfs/dbraw/zinc/53/92/14/1101539214.db2.gz ZYIAPFYVBFONAJ-UHFFFAOYSA-N 0 0 338.367 2.641 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001652743963 1101539768 /nfs/dbraw/zinc/53/97/68/1101539768.db2.gz DYXXXWWUUZCDBK-UHFFFAOYSA-N 0 0 349.274 2.916 10 5 EFBERN Cc1c(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)cccc1[N+](=O)[O-] ZINC001652795441 1101545758 /nfs/dbraw/zinc/54/57/58/1101545758.db2.gz VBOGFJJEJUGBKL-SSDOTTSWSA-N 0 0 343.265 2.531 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1F ZINC001652790065 1101546111 /nfs/dbraw/zinc/54/61/11/1101546111.db2.gz RDLIIEPYXJLPRG-UHFFFAOYSA-N 0 0 329.287 2.793 10 5 EFBERN Cc1cc(OCc2ccc(S(C)(=O)=O)o2)c(F)cc1[N+](=O)[O-] ZINC001652788112 1101546182 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EFBERN COc1ccc(NC(=O)[C@H](Cc2ccccc2)OC)cc1[N+](=O)[O-] ZINC001127473398 1112214123 /nfs/dbraw/zinc/21/41/23/1112214123.db2.gz HWIXJAJASMVWED-INIZCTEOSA-N 0 0 330.340 2.800 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC001649035166 1112214147 /nfs/dbraw/zinc/21/41/47/1112214147.db2.gz PYUGORUTTMBZNW-QGZVFWFLSA-N 0 0 344.346 2.673 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\COc1ccccc1 ZINC001127487551 1112231017 /nfs/dbraw/zinc/23/10/17/1112231017.db2.gz QXRCGLGUZWFZLM-YVMONPNESA-N 0 0 342.351 2.855 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2c3ccccc3OC[C@H]2C)n1 ZINC001127494229 1112240566 /nfs/dbraw/zinc/24/05/66/1112240566.db2.gz SAFBMGYDAUWYSO-MEBBXXQBSA-N 0 0 331.328 2.738 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000920754383 1112347757 /nfs/dbraw/zinc/34/77/57/1112347757.db2.gz FWPKPBYFVHTFKG-PBHICJAKSA-N 0 0 344.392 2.557 10 5 EFBERN Cc1cc(NC(=O)c2cc(-c3ccn(C)n3)on2)ccc1[N+](=O)[O-] ZINC001127549790 1112357470 /nfs/dbraw/zinc/35/74/70/1112357470.db2.gz SEUMSYXXYXOWCO-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN CC[C@H](NC(=O)Cn1ncc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC001127590845 1112928978 /nfs/dbraw/zinc/92/89/78/1112928978.db2.gz PUZPJSDAPJMZOU-HNNXBMFYSA-N 0 0 339.355 2.607 10 5 EFBERN CCc1cc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001127667904 1118359779 /nfs/dbraw/zinc/35/97/79/1118359779.db2.gz ZFFVIJXXUVHXCN-MISXGVKJSA-N 0 0 343.383 2.879 10 5 EFBERN CCCc1noc(CCCC(=O)Oc2cc([N+](=O)[O-])ccc2OC)n1 ZINC000069934393 1118366187 /nfs/dbraw/zinc/36/61/87/1118366187.db2.gz UBKICHQLBQGUBP-UHFFFAOYSA-N 0 0 349.343 2.867 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000829313483 1118442504 /nfs/dbraw/zinc/44/25/04/1118442504.db2.gz MHJSTDLGDHXBFS-NOZJJQNGSA-N 0 0 332.278 2.547 10 5 EFBERN Cc1nc(C2(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)CCCCC2)no1 ZINC001124657337 1118778296 /nfs/dbraw/zinc/77/82/96/1118778296.db2.gz SIFZELKGAQKCFT-UHFFFAOYSA-N 0 0 345.359 2.579 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)C(F)(F)F)co2)cc1 ZINC000780559785 1119105801 /nfs/dbraw/zinc/10/58/01/1119105801.db2.gz AHZDAVJNUJYEHF-UHFFFAOYSA-N 0 0 336.247 2.684 10 5 EFBERN CO[C@@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001124996955 1119905283 /nfs/dbraw/zinc/90/52/83/1119905283.db2.gz WOWQDQWYSRPAPB-GWCFXTLKSA-N 0 0 339.344 2.556 10 5 EFBERN CCC(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000073091756 1120556149 /nfs/dbraw/zinc/55/61/49/1120556149.db2.gz SSBLOJGTZVHKQA-WFASDCNBSA-N 0 0 334.372 2.990 10 5 EFBERN COC(=O)[C@H](C)c1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC001299250916 1120748552 /nfs/dbraw/zinc/74/85/52/1120748552.db2.gz SINFHMOGWVLGDA-SNVBAGLBSA-N 0 0 343.339 2.706 10 5 EFBERN CCCC(C)(C)NC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000050497454 214058299 /nfs/dbraw/zinc/05/82/99/214058299.db2.gz CYMRIEMHNUQNJP-UHFFFAOYSA-N 0 0 331.376 2.792 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(C)o1 ZINC000052782639 214144492 /nfs/dbraw/zinc/14/44/92/214144492.db2.gz NHYNNGATBVETEM-JTQLQIEISA-N 0 0 340.357 2.544 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(C)o1 ZINC000052782638 214144069 /nfs/dbraw/zinc/14/40/69/214144069.db2.gz NHYNNGATBVETEM-SNVBAGLBSA-N 0 0 340.357 2.544 10 5 EFBERN C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000368546236 290622022 /nfs/dbraw/zinc/62/20/22/290622022.db2.gz RGZZYFNVMBGLSU-JSGCOSHPSA-N 0 0 328.372 2.942 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000054624892 214246252 /nfs/dbraw/zinc/24/62/52/214246252.db2.gz ZUNSBNISENSJCH-UHFFFAOYSA-N 0 0 331.284 2.829 10 5 EFBERN O=C(C1=COCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173637401 230990248 /nfs/dbraw/zinc/99/02/48/230990248.db2.gz UPXIOLYKEMABQH-UHFFFAOYSA-N 0 0 332.356 2.659 10 5 EFBERN C[C@H](Sc1nnc([C@@H]2CCCCO2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000173769804 231028588 /nfs/dbraw/zinc/02/85/88/231028588.db2.gz KXQLPCNJDFXKQK-GWCFXTLKSA-N 0 0 349.416 2.995 10 5 EFBERN C[C@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccnc1 ZINC000174027965 231103013 /nfs/dbraw/zinc/10/30/13/231103013.db2.gz VPGYPUWGWMTEHG-NSHDSACASA-N 0 0 343.339 2.893 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000055800163 214342514 /nfs/dbraw/zinc/34/25/14/214342514.db2.gz LFQZNPOUAZQNHB-KRWDZBQOSA-N 0 0 341.367 2.811 10 5 EFBERN O=C(NCc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])o1 ZINC000056317199 214369679 /nfs/dbraw/zinc/36/96/79/214369679.db2.gz UZEBTJABHVPHKW-UHFFFAOYSA-N 0 0 343.339 2.635 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000173538099 282167584 /nfs/dbraw/zinc/16/75/84/282167584.db2.gz UTLNOGYOJJKJBX-VIFPVBQESA-N 0 0 331.303 2.865 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000173538110 282167654 /nfs/dbraw/zinc/16/76/54/282167654.db2.gz UTLNOGYOJJKJBX-SECBINFHSA-N 0 0 331.303 2.865 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000171008348 282168147 /nfs/dbraw/zinc/16/81/47/282168147.db2.gz HJFATEDLVWTLTE-SJKOYZFVSA-N 0 0 341.367 2.900 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000174433394 231206570 /nfs/dbraw/zinc/20/65/70/231206570.db2.gz VLUAOWRZKLDRCD-YGRLFVJLSA-N 0 0 346.362 2.999 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)c1[N+](=O)[O-] ZINC000186457392 529468708 /nfs/dbraw/zinc/46/87/08/529468708.db2.gz CBZYZACHCBFOEP-SECBINFHSA-N 0 0 348.407 2.631 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000191780369 529466295 /nfs/dbraw/zinc/46/62/95/529466295.db2.gz MMRVBFLXHSGUQX-VIFPVBQESA-N 0 0 348.325 2.931 10 5 EFBERN CC[C@H](NC(=O)N(CC(C)(C)O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000187442166 529486894 /nfs/dbraw/zinc/48/68/94/529486894.db2.gz CZDGPSMQRVQSGB-HNNXBMFYSA-N 0 0 335.404 2.991 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@]12CCOC2=O)c1cccc([N+](=O)[O-])c1 ZINC000187442841 529490982 /nfs/dbraw/zinc/49/09/82/529490982.db2.gz MFUWNGLUIPQVFT-WMLDXEAASA-N 0 0 347.371 2.537 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](O)c1ccccc1OC ZINC000175010331 231365814 /nfs/dbraw/zinc/36/58/14/231365814.db2.gz FNJDCTGLWKRWSR-MRXNPFEDSA-N 0 0 332.356 2.895 10 5 EFBERN CC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177787888 529547997 /nfs/dbraw/zinc/54/79/97/529547997.db2.gz TXSOMUMZKMVZQY-RCBQFDQVSA-N 0 0 336.388 2.746 10 5 EFBERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000175146886 231392992 /nfs/dbraw/zinc/39/29/92/231392992.db2.gz LUHMZJCHECKPPW-OAHLLOKOSA-N 0 0 329.360 2.796 10 5 EFBERN CCc1ccc(C(=O)N2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000174272183 529595444 /nfs/dbraw/zinc/59/54/44/529595444.db2.gz LNBNEHTURWLQPY-UHFFFAOYSA-N 0 0 342.399 2.911 10 5 EFBERN CC[C@@H](NC(=O)CSc1nncs1)c1cccc([N+](=O)[O-])c1 ZINC000177782684 529599854 /nfs/dbraw/zinc/59/98/54/529599854.db2.gz SRTZOWCZBJOWOF-LLVKDONJSA-N 0 0 338.414 2.806 10 5 EFBERN CC[C@@H](NC(=O)NCCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000191602367 529625242 /nfs/dbraw/zinc/62/52/42/529625242.db2.gz LHFXVVHWSNMQHO-GFCCVEGCSA-N 0 0 331.319 2.627 10 5 EFBERN CCc1nc(C2(NC(=O)Cc3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000175122996 529731026 /nfs/dbraw/zinc/73/10/26/529731026.db2.gz VMFNUKQREJXVEY-UHFFFAOYSA-N 0 0 344.371 2.668 10 5 EFBERN O=C(OC[C@@H]1O[C@H]1COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004521208 210213304 /nfs/dbraw/zinc/21/33/04/210213304.db2.gz XBAOYRZETQXAAE-IRXDYDNUSA-N 0 0 343.335 2.736 10 5 EFBERN O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1cc2c(c(Cl)c1)OCO2 ZINC000064307199 214781506 /nfs/dbraw/zinc/78/15/06/214781506.db2.gz QKVVEEWRTBMTIR-UHFFFAOYSA-N 0 0 348.698 2.933 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000100861900 219109666 /nfs/dbraw/zinc/10/96/66/219109666.db2.gz RCSVHPRPOZQPEE-GJZGRUSLSA-N 0 0 344.367 2.833 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(Br)cc1 ZINC000047852443 213869820 /nfs/dbraw/zinc/86/98/20/213869820.db2.gz BGZYEBRUODHYNW-UHFFFAOYSA-N 0 0 338.117 2.644 10 5 EFBERN O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000047171303 213834742 /nfs/dbraw/zinc/83/47/42/213834742.db2.gz SPTZLAUSCBXDNK-INIZCTEOSA-N 0 0 343.364 2.550 10 5 EFBERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000101735367 219159716 /nfs/dbraw/zinc/15/97/16/219159716.db2.gz IOIKPIQGHHUIRN-CYBMUJFWSA-N 0 0 334.376 2.507 10 5 EFBERN COc1cccc([C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCO2)c1 ZINC000178543275 232243068 /nfs/dbraw/zinc/24/30/68/232243068.db2.gz ACIOKNHBWOOVNN-CQSZACIVSA-N 0 0 348.380 2.879 10 5 EFBERN COC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000178665982 232356583 /nfs/dbraw/zinc/35/65/83/232356583.db2.gz GZKKLSGARWSGKU-MRXNPFEDSA-N 0 0 328.368 2.950 10 5 EFBERN Cc1oncc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000342278401 282473709 /nfs/dbraw/zinc/47/37/09/282473709.db2.gz FDWYTHZMYPYEGP-UHFFFAOYSA-N 0 0 346.343 2.766 10 5 EFBERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000102216884 219191385 /nfs/dbraw/zinc/19/13/85/219191385.db2.gz JGWBPOYEDZPYLK-CZUORRHYSA-N 0 0 347.415 2.669 10 5 EFBERN COC(=O)C1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1 ZINC000102636691 219216242 /nfs/dbraw/zinc/21/62/42/219216242.db2.gz UIRILQPJMUREFL-UHFFFAOYSA-N 0 0 345.355 2.682 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N(C[C@H]1CCOC1)C1CC1 ZINC000102637770 219216580 /nfs/dbraw/zinc/21/65/80/219216580.db2.gz OXFSZECVIVUWLN-LLVKDONJSA-N 0 0 329.356 2.717 10 5 EFBERN Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1C(F)(F)F ZINC000003445312 210042028 /nfs/dbraw/zinc/04/20/28/210042028.db2.gz NFNMRHJCTANIMX-UHFFFAOYSA-N 0 0 346.290 2.717 10 5 EFBERN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc[n+]([O-])cc1 ZINC000003420634 210035000 /nfs/dbraw/zinc/03/50/00/210035000.db2.gz OCAJOXCOHONZIG-UHFFFAOYSA-N 0 0 347.326 2.937 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)NC1CCCCC1 ZINC000003390466 210024788 /nfs/dbraw/zinc/02/47/88/210024788.db2.gz HHUGMSPJGWWOHG-DHZHZOJOSA-N 0 0 332.356 2.600 10 5 EFBERN O=[N+]([O-])c1ccc(-c2c([N+](=O)[O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000043947540 213603699 /nfs/dbraw/zinc/60/36/99/213603699.db2.gz SUGAJDLLCZMTPY-UHFFFAOYSA-N 0 0 334.200 2.986 10 5 EFBERN C[C@H](NC(=O)NCCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000341109184 299151260 /nfs/dbraw/zinc/15/12/60/299151260.db2.gz SNICLVHDAUZTMK-NSHDSACASA-N 0 0 337.376 2.687 10 5 EFBERN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCCOC1 ZINC000179422483 233018240 /nfs/dbraw/zinc/01/82/40/233018240.db2.gz JKWLTCZMVGARNN-VIFPVBQESA-N 0 0 344.165 2.658 10 5 EFBERN Cc1nc([N+](=O)[O-])c(NCC2(c3ccc(F)cc3)CCOCC2)n1C ZINC000103278292 219281431 /nfs/dbraw/zinc/28/14/31/219281431.db2.gz DUQMFMQNCBDHOH-UHFFFAOYSA-N 0 0 348.378 2.936 10 5 EFBERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000103326480 219291667 /nfs/dbraw/zinc/29/16/67/219291667.db2.gz ZXYACXFOERMDRD-LSDHHAIUSA-N 0 0 333.388 2.864 10 5 EFBERN COCCN(CC(F)(F)F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000068338206 215301276 /nfs/dbraw/zinc/30/12/76/215301276.db2.gz XXYHZHGQUHRDBS-UHFFFAOYSA-N 0 0 340.685 2.899 10 5 EFBERN CC(C)(CNc1ncc(Cl)cc1[N+](=O)[O-])C1(O)CCOCC1 ZINC000419016995 535156517 /nfs/dbraw/zinc/15/65/17/535156517.db2.gz NNNMSNPZEXZBFM-UHFFFAOYSA-N 0 0 329.784 2.623 10 5 EFBERN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@H]1CC1[N+](=O)[O-] ZINC000044280213 304020692 /nfs/dbraw/zinc/02/06/92/304020692.db2.gz XCIUQRLURVOIAU-HERVYFSGSA-N 0 0 348.428 2.610 10 5 EFBERN Cc1cc(C)n(-c2ncnc(NCCc3cccs3)c2[N+](=O)[O-])n1 ZINC000040661662 213365804 /nfs/dbraw/zinc/36/58/04/213365804.db2.gz XGECVWUCEMULKM-UHFFFAOYSA-N 0 0 344.400 2.903 10 5 EFBERN Cn1cncc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000357603994 282788302 /nfs/dbraw/zinc/78/83/02/282788302.db2.gz RLZOOTCEYSYARC-UHFFFAOYSA-N 0 0 327.319 2.563 10 5 EFBERN COc1ccc(OC)c(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])c1 ZINC000040619486 213360107 /nfs/dbraw/zinc/36/01/07/213360107.db2.gz DQKYUPQJJXYDQG-UHFFFAOYSA-N 0 0 334.332 2.933 10 5 EFBERN COCCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000040621613 213358941 /nfs/dbraw/zinc/35/89/41/213358941.db2.gz HGKUIWHFBVFFAS-UHFFFAOYSA-N 0 0 347.419 2.824 10 5 EFBERN CC(C)(C)Nc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000040581473 213353984 /nfs/dbraw/zinc/35/39/84/213353984.db2.gz WRXGTKSNJLVYEM-UHFFFAOYSA-N 0 0 345.359 2.936 10 5 EFBERN CN(C)c1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000040608561 213358201 /nfs/dbraw/zinc/35/82/01/213358201.db2.gz DEHWZOHXOMUNCY-UHFFFAOYSA-N 0 0 338.165 2.957 10 5 EFBERN Cc1cc(N2CCC(N(C)c3ncccc3[N+](=O)[O-])CC2)nc(C)n1 ZINC000069328173 215378838 /nfs/dbraw/zinc/37/88/38/215378838.db2.gz GKPLXAPNPXYDQA-UHFFFAOYSA-N 0 0 342.403 2.502 10 5 EFBERN O=c1[nH]cnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000040607367 213357383 /nfs/dbraw/zinc/35/73/83/213357383.db2.gz IFWSNGVTYLSSIY-UHFFFAOYSA-N 0 0 336.351 2.885 10 5 EFBERN CC(C)[C@@H](c1cccnc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000069351635 215386334 /nfs/dbraw/zinc/38/63/34/215386334.db2.gz 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O=C(NC[C@H](CO)c1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412170555 243183277 /nfs/dbraw/zinc/18/32/77/243183277.db2.gz DDCKSNWSZRXXQS-BPQIPLTHSA-N 0 0 340.379 2.591 10 5 EFBERN Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000412363395 243288171 /nfs/dbraw/zinc/28/81/71/243288171.db2.gz WAUJSFFQPYXQJP-UONOGXRCSA-N 0 0 326.356 2.948 10 5 EFBERN O=C(NCC1(CF)CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412376648 243295905 /nfs/dbraw/zinc/29/59/05/243295905.db2.gz IOCUGZGHOJNMLG-LSDHHAIUSA-N 0 0 336.363 2.581 10 5 EFBERN CCOC(=O)[C@H](CC)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000412378264 243297238 /nfs/dbraw/zinc/29/72/38/243297238.db2.gz LQOZHDKXUMYASN-GDBMZVCRSA-N 0 0 348.399 2.890 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H](O)C(F)F ZINC000412387119 243299333 /nfs/dbraw/zinc/29/93/33/243299333.db2.gz VVGNUYWBBYASLK-MFKMUULPSA-N 0 0 346.330 2.516 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C2CCC2)C1 ZINC000412453028 243322153 /nfs/dbraw/zinc/32/21/53/243322153.db2.gz CEYQUTJTQZTYJX-BBWFWOEESA-N 0 0 330.384 2.726 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C1=O ZINC000020531568 212143402 /nfs/dbraw/zinc/14/34/02/212143402.db2.gz CGMFVUWNJOLOCJ-LLVKDONJSA-N 0 0 325.324 2.578 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C1=O ZINC000020531569 212143439 /nfs/dbraw/zinc/14/34/39/212143439.db2.gz CGMFVUWNJOLOCJ-NSHDSACASA-N 0 0 325.324 2.578 10 5 EFBERN C[C@@H]1C[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)O1 ZINC000412652933 243368811 /nfs/dbraw/zinc/36/88/11/243368811.db2.gz MIFRGFVEPBIPPX-WCABBAIRSA-N 0 0 344.314 2.740 10 5 EFBERN Cc1nn(C)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413061417 243445864 /nfs/dbraw/zinc/44/58/64/243445864.db2.gz BOBOXIBEVXJOQI-UHFFFAOYSA-N 0 0 332.360 2.985 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@H](CO)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000413255748 243566649 /nfs/dbraw/zinc/56/66/49/243566649.db2.gz ADYNIBAPGOYBGP-SNVBAGLBSA-N 0 0 341.289 2.670 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[C@H](CO)C1 ZINC000414400751 244136024 /nfs/dbraw/zinc/13/60/24/244136024.db2.gz CTEYKMABLODMNH-VHSXEESVSA-N 0 0 327.768 2.921 10 5 EFBERN CN(C)C(=O)C1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000414485067 244191038 /nfs/dbraw/zinc/19/10/38/244191038.db2.gz KZEDNKUKWVCTHV-UHFFFAOYSA-N 0 0 329.356 2.565 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC(CO)(c3ccccc3)C2)c(Cl)c1 ZINC000414550832 244228264 /nfs/dbraw/zinc/22/82/64/244228264.db2.gz NTWYFCFVGUBKBS-UHFFFAOYSA-N 0 0 332.787 2.994 10 5 EFBERN COCC(C)(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000414754223 244326878 /nfs/dbraw/zinc/32/68/78/244326878.db2.gz NPUVSKFRYWRLDN-UHFFFAOYSA-N 0 0 338.360 2.757 10 5 EFBERN O=C(N[C@H]1CCCOC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171677968 284174123 /nfs/dbraw/zinc/17/41/23/284174123.db2.gz VVEBZRCPGOZSAZ-NSHDSACASA-N 0 0 333.369 2.627 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccn2)c(C)cc1[N+](=O)[O-] ZINC000416368526 244657675 /nfs/dbraw/zinc/65/76/75/244657675.db2.gz HETQPLUIRLQBQC-GFCCVEGCSA-N 0 0 335.385 2.646 10 5 EFBERN CSCC[C@H](C)N(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416405261 244674267 /nfs/dbraw/zinc/67/42/67/244674267.db2.gz ZCGCGYYDMGMXMP-LBPRGKRZSA-N 0 0 346.474 2.974 10 5 EFBERN COC(=O)[C@@H]1CSCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000413606229 291506987 /nfs/dbraw/zinc/50/69/87/291506987.db2.gz PNPVPSLFYFSFJK-VIFPVBQESA-N 0 0 330.793 2.591 10 5 EFBERN O=C(N[C@H]1COc2ccc(F)cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000365657180 284251537 /nfs/dbraw/zinc/25/15/37/284251537.db2.gz ZKYQZZWINVBZGM-LLVKDONJSA-N 0 0 334.278 2.607 10 5 EFBERN CCOC(=O)c1cc(N[C@H](C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000418897820 245308462 /nfs/dbraw/zinc/30/84/62/245308462.db2.gz ICFTVFDYGOYTMD-SNVBAGLBSA-N 0 0 338.360 2.914 10 5 EFBERN C[C@@]12C(=O)N(Cc3c(F)cccc3[N+](=O)[O-])C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000419115943 245344015 /nfs/dbraw/zinc/34/40/15/245344015.db2.gz YOKXJTYLGLJSCI-WYOIRBSXSA-N 0 0 332.331 2.655 10 5 EFBERN COc1cc(CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)ccc1[N+](=O)[O-] ZINC000419081091 245336893 /nfs/dbraw/zinc/33/68/93/245336893.db2.gz YBTZCKLSQCPQFY-IPTNHLRFSA-N 0 0 344.367 2.525 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000079762287 217252799 /nfs/dbraw/zinc/25/27/99/217252799.db2.gz OGMLAGIVICZBJG-IUCAKERBSA-N 0 0 343.177 2.607 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000048648015 284352721 /nfs/dbraw/zinc/35/27/21/284352721.db2.gz GCIMLRDQFDHIOT-MRXNPFEDSA-N 0 0 339.351 2.727 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(C)=O)c1 ZINC000015271488 211812122 /nfs/dbraw/zinc/81/21/22/211812122.db2.gz QTAIIUPHQOJLKA-UHFFFAOYSA-N 0 0 329.312 2.814 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)c1ccco1 ZINC000015179083 211806832 /nfs/dbraw/zinc/80/68/32/211806832.db2.gz LQIYMQCRQDWCNZ-LBPRGKRZSA-N 0 0 345.355 2.527 10 5 EFBERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000111426452 220153686 /nfs/dbraw/zinc/15/36/86/220153686.db2.gz NNAPXRQEVOUMRC-HNNXBMFYSA-N 0 0 329.360 2.969 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111650375 220175238 /nfs/dbraw/zinc/17/52/38/220175238.db2.gz HQSUBLQTKVYVPZ-LLVKDONJSA-N 0 0 347.758 2.979 10 5 EFBERN Cc1ccc(NC(=O)N2CCO[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000111700439 220182306 /nfs/dbraw/zinc/18/23/06/220182306.db2.gz VQZKSKHJDXBJRW-ZDUSSCGKSA-N 0 0 348.384 2.965 10 5 EFBERN COC(=O)[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000127108460 284407085 /nfs/dbraw/zinc/40/70/85/284407085.db2.gz NCDWQOLQBCMDNG-RDDDGLTNSA-N 0 0 349.170 2.668 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CC12CCSCC2 ZINC000421595187 246027285 /nfs/dbraw/zinc/02/72/85/246027285.db2.gz XFPSKVCZYNHVAD-GFCCVEGCSA-N 0 0 336.413 2.623 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)n1 ZINC000421620688 246040111 /nfs/dbraw/zinc/04/01/11/246040111.db2.gz QFILMKNJSPPSPW-QGZVFWFLSA-N 0 0 346.362 2.705 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC12CCSCC2 ZINC000421587407 246026261 /nfs/dbraw/zinc/02/62/61/246026261.db2.gz HTWYCSJQJPMWCV-NSHDSACASA-N 0 0 336.413 2.867 10 5 EFBERN CC[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000421674030 246058166 /nfs/dbraw/zinc/05/81/66/246058166.db2.gz ZGYFSUOMHYECIE-GXSJLCMTSA-N 0 0 344.314 2.884 10 5 EFBERN CC[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000421673383 246059127 /nfs/dbraw/zinc/05/91/27/246059127.db2.gz XOUJYQZSCCDTPY-HIFRSBDPSA-N 0 0 331.372 2.623 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000421674032 246059200 /nfs/dbraw/zinc/05/92/00/246059200.db2.gz ZGYFSUOMHYECIE-MWLCHTKSSA-N 0 0 344.314 2.884 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000151082256 223778302 /nfs/dbraw/zinc/77/83/02/223778302.db2.gz JUFIHMHLMVKWCD-MRVPVSSYSA-N 0 0 344.314 2.675 10 5 EFBERN CC[C@@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421976401 246193476 /nfs/dbraw/zinc/19/34/76/246193476.db2.gz FLGGTNULJOFQPY-UKRRQHHQSA-N 0 0 334.372 2.632 10 5 EFBERN CC[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](CC)O1 ZINC000421984826 246201354 /nfs/dbraw/zinc/20/13/54/246201354.db2.gz RNLNQMICCBNOGQ-TXEJJXNPSA-N 0 0 342.342 2.832 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](O)CC12CCC2 ZINC000422015017 246216770 /nfs/dbraw/zinc/21/67/70/246216770.db2.gz FCURHUWYDDJXLL-CYBMUJFWSA-N 0 0 336.413 2.593 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](O)CC12CCC2 ZINC000422027332 246227527 /nfs/dbraw/zinc/22/75/27/246227527.db2.gz VDSRYXYTRKDLGL-ZDUSSCGKSA-N 0 0 338.791 2.697 10 5 EFBERN CC[C@@H](NC(=O)CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000084559879 217615267 /nfs/dbraw/zinc/61/52/67/217615267.db2.gz QHYSLGDEROKLSH-MRXNPFEDSA-N 0 0 336.388 2.748 10 5 EFBERN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)OC(C)(C)C ZINC000424947873 246909822 /nfs/dbraw/zinc/90/98/22/246909822.db2.gz FJCBVDQDEXYXKH-LLVKDONJSA-N 0 0 339.392 2.657 10 5 EFBERN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C(=O)OC(C)(C)C ZINC000425045176 246949135 /nfs/dbraw/zinc/94/91/35/246949135.db2.gz SIHPPVFFEIFMEX-GWCFXTLKSA-N 0 0 338.360 2.770 10 5 EFBERN COC(=O)c1cnc(N[C@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425277164 247027095 /nfs/dbraw/zinc/02/70/95/247027095.db2.gz XBXIXZYCWNZFBW-XJKSGUPXSA-N 0 0 331.303 2.826 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421869029 291627309 /nfs/dbraw/zinc/62/73/09/291627309.db2.gz IMCYWUKVXCKWNU-IOASZLSFSA-N 0 0 346.383 2.625 10 5 EFBERN COc1ccc(CNC(=O)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000425982974 247221063 /nfs/dbraw/zinc/22/10/63/247221063.db2.gz AVNANAQEPPDEEC-NSHDSACASA-N 0 0 343.330 2.981 10 5 EFBERN Cc1csc(C2(NC(=O)CNc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000265209504 247300508 /nfs/dbraw/zinc/30/05/08/247300508.db2.gz AQPZEUFNLIWONG-UHFFFAOYSA-N 0 0 346.412 2.967 10 5 EFBERN O=C(NC1(C(=O)Nc2ccccc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000426407041 247276948 /nfs/dbraw/zinc/27/69/48/247276948.db2.gz XSJXARBTRWHEFW-UHFFFAOYSA-N 0 0 343.314 2.635 10 5 EFBERN CC(C)[C@@](C)(CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427367656 247342872 /nfs/dbraw/zinc/34/28/72/247342872.db2.gz UILNYCIUHHFDDL-CYBMUJFWSA-N 0 0 334.294 2.750 10 5 EFBERN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H]2CCCC[C@H]2C1 ZINC000427341704 247339681 /nfs/dbraw/zinc/33/96/81/247339681.db2.gz HBUSAYPPYRYLSU-STQMWFEESA-N 0 0 346.383 2.557 10 5 EFBERN CC(C)[C@](C)(CO)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000427372663 247343284 /nfs/dbraw/zinc/34/32/84/247343284.db2.gz POIMPRKHVBZYMB-INIZCTEOSA-N 0 0 349.412 2.855 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000427379944 247345198 /nfs/dbraw/zinc/34/51/98/247345198.db2.gz PJJIYGLCLJCDBB-ZJUUUORDSA-N 0 0 348.325 2.910 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(n3c(C)ccc3C)CC2)n1 ZINC000427445756 247352543 /nfs/dbraw/zinc/35/25/43/247352543.db2.gz FOHRVSCRGPEHIX-UHFFFAOYSA-N 0 0 345.403 2.707 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(Cc3ccccc3Cl)C2)n1 ZINC000427617035 247371977 /nfs/dbraw/zinc/37/19/77/247371977.db2.gz CBHNWJXYWDNJMZ-UHFFFAOYSA-N 0 0 348.790 2.779 10 5 EFBERN Cn1nc(-c2ccsc2)cc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000428065270 247433254 /nfs/dbraw/zinc/43/32/54/247433254.db2.gz UPPUDCHPIBJKCK-UHFFFAOYSA-N 0 0 343.368 2.891 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1csc2nccn12 ZINC000429250070 247603244 /nfs/dbraw/zinc/60/32/44/247603244.db2.gz FJRZZHAKRFTOPF-SNVBAGLBSA-N 0 0 342.380 2.824 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@H]2C)n1 ZINC000343053081 284572371 /nfs/dbraw/zinc/57/23/71/284572371.db2.gz LFWATDJZLIGXMS-HTQZYQBOSA-N 0 0 333.266 2.554 10 5 EFBERN Cc1cc(OCC(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000430402217 247779540 /nfs/dbraw/zinc/77/95/40/247779540.db2.gz NFXRKHITHPMMJM-JKSUJKDBSA-N 0 0 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EFBERN CCOC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000266239104 248196084 /nfs/dbraw/zinc/19/60/84/248196084.db2.gz PJBAFKBMCDFFBG-LBPRGKRZSA-N 0 0 348.380 2.733 10 5 EFBERN O=C1C[C@@H](c2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)CN1 ZINC000434949704 248199977 /nfs/dbraw/zinc/19/99/77/248199977.db2.gz FJQCRXDXVVWPSB-SNVBAGLBSA-N 0 0 332.747 2.990 10 5 EFBERN COC[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266652756 248399410 /nfs/dbraw/zinc/39/94/10/248399410.db2.gz ZUYOUHXLTPZFIU-INIZCTEOSA-N 0 0 343.383 2.824 10 5 EFBERN C[C@@H]1CC(=O)N(c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1=O ZINC000169694771 296269259 /nfs/dbraw/zinc/26/92/59/296269259.db2.gz DBBIDVAXDNJIDZ-JHJVBQTASA-N 0 0 345.399 2.977 10 5 EFBERN C[C@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000439053919 249796953 /nfs/dbraw/zinc/79/69/53/249796953.db2.gz HUJGJTKZJRGTSJ-RXMQYKEDSA-N 0 0 329.072 2.717 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439273401 249812865 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/nfs/dbraw/zinc/39/76/14/151397614.db2.gz JEMLPGBBHPINPV-AWEZNQCLSA-N 0 0 341.367 2.703 10 5 EFBERN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])no1 ZINC000374775734 151411435 /nfs/dbraw/zinc/41/14/35/151411435.db2.gz DFVOZFQNCYKWGA-JTQLQIEISA-N 0 0 348.363 2.582 10 5 EFBERN COc1cc2c(cc1OC)CCN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC000361270482 286258403 /nfs/dbraw/zinc/25/84/03/286258403.db2.gz DYELZSWGFVMNMU-UHFFFAOYSA-N 0 0 343.383 2.921 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@H](c3nc(C4CC4)no3)C2)c(Cl)c1 ZINC000375255651 151499608 /nfs/dbraw/zinc/49/96/08/151499608.db2.gz ZEDWTZHDYBFBGT-VIFPVBQESA-N 0 0 335.751 2.898 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000375262344 151501148 /nfs/dbraw/zinc/50/11/48/151501148.db2.gz SOFUYVVJQVDXJF-QGZVFWFLSA-N 0 0 344.415 2.827 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000375331586 151513909 /nfs/dbraw/zinc/51/39/09/151513909.db2.gz LBXYZWWHKUSNIN-BLLLJJGKSA-N 0 0 333.388 2.785 10 5 EFBERN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000375854193 151610091 /nfs/dbraw/zinc/61/00/91/151610091.db2.gz YQVFKWZGGDINOI-INIZCTEOSA-N 0 0 328.372 2.922 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000376482853 151722306 /nfs/dbraw/zinc/72/23/06/151722306.db2.gz BCOVXWUYMXBASR-GOSISDBHSA-N 0 0 347.415 2.740 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2CC3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000376719517 151760287 /nfs/dbraw/zinc/76/02/87/151760287.db2.gz WWLSJCXFAZHDLG-ZDUSSCGKSA-N 0 0 333.388 2.786 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000377121485 151824567 /nfs/dbraw/zinc/82/45/67/151824567.db2.gz VEDGMMMFVWYYAW-ZDUSSCGKSA-N 0 0 343.387 2.612 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000377292448 151850371 /nfs/dbraw/zinc/85/03/71/151850371.db2.gz QXLULUALDKGZIF-AWEZNQCLSA-N 0 0 341.367 2.703 10 5 EFBERN Cc1cc(C(=O)N2CCC(c3ccccn3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000378257835 152042684 /nfs/dbraw/zinc/04/26/84/152042684.db2.gz DUDDGXSSFCXQMN-UHFFFAOYSA-N 0 0 340.383 2.900 10 5 EFBERN Cc1nc2c(s1)[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])CCC2 ZINC000378589741 152121602 /nfs/dbraw/zinc/12/16/02/152121602.db2.gz MYAMYBUKDLFKTL-ZDUSSCGKSA-N 0 0 346.412 2.965 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000378646584 152136318 /nfs/dbraw/zinc/13/63/18/152136318.db2.gz PFWAVAQOXVNUFY-INIZCTEOSA-N 0 0 342.399 2.814 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@@H]2COCC[C@H]21 ZINC000408024659 152145073 /nfs/dbraw/zinc/14/50/73/152145073.db2.gz FOXARSRORNSXKC-BXUZGUMPSA-N 0 0 329.356 2.717 10 5 EFBERN C[C@@H]1CC[C@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000408171871 152159844 /nfs/dbraw/zinc/15/98/44/152159844.db2.gz ORYCSHPAVJDXLF-CJNGLKHVSA-N 0 0 338.429 2.937 10 5 EFBERN C[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000408213399 152164209 /nfs/dbraw/zinc/16/42/09/152164209.db2.gz AXAAATGGWSIHFN-LBPRGKRZSA-N 0 0 348.399 2.803 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCCCO2)cc1[N+](=O)[O-] ZINC000408285863 152172528 /nfs/dbraw/zinc/17/25/28/152172528.db2.gz IFCAAFFKXNNORL-UHFFFAOYSA-N 0 0 334.781 2.663 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000408302907 152174040 /nfs/dbraw/zinc/17/40/40/152174040.db2.gz KJFLHUVDPZGGTK-WOPDTQHZSA-N 0 0 342.417 2.659 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C)N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000408302847 152174052 /nfs/dbraw/zinc/17/40/52/152174052.db2.gz JNZYYVRUABLNHK-FRRDWIJNSA-N 0 0 326.418 2.791 10 5 EFBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CCC[C@@H]21 ZINC000408375721 152183346 /nfs/dbraw/zinc/18/33/46/152183346.db2.gz PMSJKGCPYCARLB-BONVTDFDSA-N 0 0 327.340 2.863 10 5 EFBERN COc1ccc2c(c1)C(=O)N(c1cc([N+](=O)[O-])c(C)cc1C)C(=O)C2 ZINC000003065993 286386362 /nfs/dbraw/zinc/38/63/62/286386362.db2.gz HGVZZLDYPUEHQV-UHFFFAOYSA-N 0 0 340.335 2.950 10 5 EFBERN COc1cccc(N2CCC[C@@H](Cc3noc(C)n3)C2)c1[N+](=O)[O-] ZINC000185350826 286456437 /nfs/dbraw/zinc/45/64/37/286456437.db2.gz QJXDFIFWPJXBQG-LBPRGKRZSA-N 0 0 332.360 2.754 10 5 EFBERN COCCOc1ncccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000358612281 164654748 /nfs/dbraw/zinc/65/47/48/164654748.db2.gz YXJWTDLIJUHUFT-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN C[C@H]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000159772042 225274739 /nfs/dbraw/zinc/27/47/39/225274739.db2.gz OGCXWQBGHFLDHC-LRDDRELGSA-N 0 0 328.372 2.936 10 5 EFBERN C[C@](O)(CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1Cl ZINC000160191974 225359167 /nfs/dbraw/zinc/35/91/67/225359167.db2.gz LRDMBIBJBJPHQO-HNNXBMFYSA-N 0 0 347.762 2.611 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccsc2)C1 ZINC000121343278 221819692 /nfs/dbraw/zinc/81/96/92/221819692.db2.gz KQQHKTSQDWIIBR-HNNXBMFYSA-N 0 0 332.381 2.799 10 5 EFBERN CCOCCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1CC ZINC000122844225 222170404 /nfs/dbraw/zinc/17/04/04/222170404.db2.gz KXRYJMZFVQVFQE-LBPRGKRZSA-N 0 0 342.827 2.580 10 5 EFBERN Cc1sc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000123868600 222344928 /nfs/dbraw/zinc/34/49/28/222344928.db2.gz DLFXTLRBGCLMIK-HZMBPMFUSA-N 0 0 342.442 2.749 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000123614283 222305182 /nfs/dbraw/zinc/30/51/82/222305182.db2.gz VZXDFONFDDPWAX-RKDXNWHRSA-N 0 0 332.278 2.863 10 5 EFBERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124654299 222459891 /nfs/dbraw/zinc/45/98/91/222459891.db2.gz IFNOMHWUQUNJDP-ZANVPECISA-N 0 0 327.768 2.921 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CC3)c3ccccc32)c(F)c1 ZINC000172488058 227723326 /nfs/dbraw/zinc/72/33/26/227723326.db2.gz JYONCPMCNCKNGP-UHFFFAOYSA-N 0 0 348.355 2.974 10 5 EFBERN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CC3[N+](=O)[O-])cc2)n1 ZINC000044405377 544444439 /nfs/dbraw/zinc/44/44/39/544444439.db2.gz QPRQKQOLHKLKBV-KBPBESRZSA-N 0 0 344.396 2.848 10 5 EFBERN Cc1ccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000092040229 544539640 /nfs/dbraw/zinc/53/96/40/544539640.db2.gz DGOGCSMANGYTAY-WBVHZDCISA-N 0 0 346.383 2.821 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(C2CCOCC2)CC1 ZINC000162310305 544824360 /nfs/dbraw/zinc/82/43/60/544824360.db2.gz FTLDNPYALUWDOI-UHFFFAOYSA-N 0 0 348.399 2.639 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN(C)c1ccccc1 ZINC000053210700 292644805 /nfs/dbraw/zinc/64/48/05/292644805.db2.gz GNKFATGNFLINHU-UHFFFAOYSA-N 0 0 342.399 2.945 10 5 EFBERN Cc1cc(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000053671561 292646488 /nfs/dbraw/zinc/64/64/88/292646488.db2.gz BYLORZRPVYIATL-UHFFFAOYSA-N 0 0 340.426 2.794 10 5 EFBERN CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000043269096 272970451 /nfs/dbraw/zinc/97/04/51/272970451.db2.gz ROOIIYGZZIGCRK-CYBMUJFWSA-N 0 0 330.388 2.867 10 5 EFBERN Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000046868905 272979476 /nfs/dbraw/zinc/97/94/76/272979476.db2.gz WEGCJXOUTBIWIS-UHFFFAOYSA-N 0 0 327.340 2.580 10 5 EFBERN CC[C@@H](NC(=O)CNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177797195 264885865 /nfs/dbraw/zinc/88/58/65/264885865.db2.gz RNEGMKVWSMLYOG-MRXNPFEDSA-N 0 0 341.367 2.592 10 5 EFBERN CC[C@H](NC(=O)CCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177795661 264886099 /nfs/dbraw/zinc/88/60/99/264886099.db2.gz FUSIZDCRTJUXRV-CVEARBPZSA-N 0 0 336.388 2.748 10 5 EFBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)C12CCCC2 ZINC000184437188 265018006 /nfs/dbraw/zinc/01/80/06/265018006.db2.gz NLIWDWLKLXZZHY-JKSUJKDBSA-N 0 0 347.415 2.987 10 5 EFBERN O=C(Nc1nnc(C2CCC2)[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000184613768 265023607 /nfs/dbraw/zinc/02/36/07/265023607.db2.gz MPZVCWDFGQLETL-UHFFFAOYSA-N 0 0 326.316 2.714 10 5 EFBERN CC(C)S(=O)(=O)CCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184984012 265031042 /nfs/dbraw/zinc/03/10/42/265031042.db2.gz KGWZSGRWHQEMDN-UHFFFAOYSA-N 0 0 338.385 2.735 10 5 EFBERN COC(=O)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cc(C)cc(C)c1 ZINC000187035927 265086000 /nfs/dbraw/zinc/08/60/00/265086000.db2.gz GPWQSUPYFUVKQU-INIZCTEOSA-N 0 0 342.351 2.856 10 5 EFBERN CO[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000187573957 265110637 /nfs/dbraw/zinc/11/06/37/265110637.db2.gz DGZAFWWEQHRSPF-PBHICJAKSA-N 0 0 349.431 2.984 10 5 EFBERN C[C@H]1C(=O)NCCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189081188 265170865 /nfs/dbraw/zinc/17/08/65/265170865.db2.gz NNUDIKIZZSNIIM-LBPRGKRZSA-N 0 0 329.356 2.565 10 5 EFBERN C[C@@H]1C(=O)NCCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189081166 265171418 /nfs/dbraw/zinc/17/14/18/265171418.db2.gz NNUDIKIZZSNIIM-GFCCVEGCSA-N 0 0 329.356 2.565 10 5 EFBERN CCOC(=O)[C@@H](CC)N(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000189225590 265177743 /nfs/dbraw/zinc/17/77/43/265177743.db2.gz WSOQEJKYKQOQEI-OAHLLOKOSA-N 0 0 334.372 2.850 10 5 EFBERN COC(=O)c1cc(NCc2cccc(CO)c2)cc(C)c1[N+](=O)[O-] ZINC000189828146 265201136 /nfs/dbraw/zinc/20/11/36/265201136.db2.gz QNHWFVSCUCVZFK-UHFFFAOYSA-N 0 0 330.340 2.794 10 5 EFBERN Cc1ccc(C[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000191037256 265249547 /nfs/dbraw/zinc/24/95/47/265249547.db2.gz BDLDUKXKFSDJPZ-OAHLLOKOSA-N 0 0 328.368 2.545 10 5 EFBERN CO[C@@H]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000191426425 265264581 /nfs/dbraw/zinc/26/45/81/265264581.db2.gz HCHBWROEGXUZQU-GDBMZVCRSA-N 0 0 335.404 2.784 10 5 EFBERN Cc1nnsc1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000191477330 265266053 /nfs/dbraw/zinc/26/60/53/265266053.db2.gz YWMKHZMDGZMHEY-UHFFFAOYSA-N 0 0 329.341 2.864 10 5 EFBERN Cc1cc(CCNC(=O)Nc2ccncc2[N+](=O)[O-])cc(C)c1O ZINC000191590276 265269721 /nfs/dbraw/zinc/26/97/21/265269721.db2.gz GYNVUPQTLHJXNP-UHFFFAOYSA-N 0 0 330.344 2.676 10 5 EFBERN CO[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000191749158 265274149 /nfs/dbraw/zinc/27/41/49/265274149.db2.gz WHHDDEFZZYJBJQ-PWSUYJOCSA-N 0 0 332.278 2.911 10 5 EFBERN CO[C@@H]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000191749013 265275039 /nfs/dbraw/zinc/27/50/39/265275039.db2.gz QGBVVCZKBGDPIR-ZYHUDNBSSA-N 0 0 343.177 2.655 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cn1 ZINC000191879184 265280847 /nfs/dbraw/zinc/28/08/47/265280847.db2.gz XDVHBSHKZPSGDP-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC(C)C)CC1 ZINC000192862313 265311048 /nfs/dbraw/zinc/31/10/48/265311048.db2.gz RPKNPDKFDQYKPR-UHFFFAOYSA-N 0 0 335.404 2.966 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000194788842 265388279 /nfs/dbraw/zinc/38/82/79/265388279.db2.gz GUPHRVCIJWBFIR-UHFFFAOYSA-N 0 0 349.368 2.527 10 5 EFBERN CCNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000195078927 265403318 /nfs/dbraw/zinc/40/33/18/265403318.db2.gz KSUBMQOOUBYWTG-UHFFFAOYSA-N 0 0 343.343 2.692 10 5 EFBERN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000270621065 265762365 /nfs/dbraw/zinc/76/23/65/265762365.db2.gz CHKLLQMCBKKEHZ-QMMMGPOBSA-N 0 0 338.717 2.716 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(COCC3CC3)c2)n1 ZINC000270747322 265794688 /nfs/dbraw/zinc/79/46/88/265794688.db2.gz BHIVBNZSVKHXPN-UHFFFAOYSA-N 0 0 330.344 2.507 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000270765795 265800793 /nfs/dbraw/zinc/80/07/93/265800793.db2.gz GQLGDGUTGHCQLN-UHFFFAOYSA-N 0 0 334.763 2.791 10 5 EFBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000270788157 265807332 /nfs/dbraw/zinc/80/73/32/265807332.db2.gz AHOXBFOGCBJPRD-LLVKDONJSA-N 0 0 332.360 2.560 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000270826159 265818822 /nfs/dbraw/zinc/81/88/22/265818822.db2.gz SFIZMUUHKBCPOT-HUUCEWRRSA-N 0 0 342.399 2.860 10 5 EFBERN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270860541 265828933 /nfs/dbraw/zinc/82/89/33/265828933.db2.gz ZTCHPFYNRYPRNQ-CHWSQXEVSA-N 0 0 328.372 2.655 10 5 EFBERN CCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000271069616 265894557 /nfs/dbraw/zinc/89/45/57/265894557.db2.gz XXBWLCHVDNCAQA-OAHLLOKOSA-N 0 0 342.399 2.738 10 5 EFBERN CCCC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000271427145 265974382 /nfs/dbraw/zinc/97/43/82/265974382.db2.gz RBMGTMZGLLWJTQ-CQSZACIVSA-N 0 0 346.387 2.998 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271611176 266021470 /nfs/dbraw/zinc/02/14/70/266021470.db2.gz CKXINLNVGFVYBN-UKRRQHHQSA-N 0 0 343.383 2.559 10 5 EFBERN C[C@H](NC(=O)NC[C@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271611171 266021644 /nfs/dbraw/zinc/02/16/44/266021644.db2.gz CKXINLNVGFVYBN-DZGCQCFKSA-N 0 0 343.383 2.559 10 5 EFBERN C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000271640202 266029641 /nfs/dbraw/zinc/02/96/41/266029641.db2.gz ARSLLEASHWJLAS-NSHDSACASA-N 0 0 337.376 2.639 10 5 EFBERN Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271668090 266037127 /nfs/dbraw/zinc/03/71/27/266037127.db2.gz MKKHFXVFEPCWTI-CXAGYDPISA-N 0 0 343.383 2.997 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000271683106 266040443 /nfs/dbraw/zinc/04/04/43/266040443.db2.gz KHKMNVUWDZTLPM-QMTHXVAHSA-N 0 0 335.385 2.750 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000271683108 266040963 /nfs/dbraw/zinc/04/09/63/266040963.db2.gz KHKMNVUWDZTLPM-YGRLFVJLSA-N 0 0 335.385 2.750 10 5 EFBERN C[C@H](NC(=O)NC[C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271728985 266051160 /nfs/dbraw/zinc/05/11/60/266051160.db2.gz NBGMMCUULVNPIX-DZGCQCFKSA-N 0 0 343.383 2.731 10 5 EFBERN CN(C)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000088360515 272995508 /nfs/dbraw/zinc/99/55/08/272995508.db2.gz BSOGOVFYNACZJK-UHFFFAOYSA-N 0 0 341.371 2.646 10 5 EFBERN C[C@@H](CCO)C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000271952503 266105899 /nfs/dbraw/zinc/10/58/99/266105899.db2.gz XZDNLZBTUSWPOO-LBPRGKRZSA-N 0 0 345.399 2.995 10 5 EFBERN CC[C@H](NC(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090090239 272996482 /nfs/dbraw/zinc/99/64/82/272996482.db2.gz JLMPUPBIHXBIBL-HNNXBMFYSA-N 0 0 342.355 2.967 10 5 EFBERN COCCOc1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000272170103 266174907 /nfs/dbraw/zinc/17/49/07/266174907.db2.gz DCTGJDQXQVFMCQ-LBPRGKRZSA-N 0 0 345.355 2.506 10 5 EFBERN COCCOc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000272170102 266175347 /nfs/dbraw/zinc/17/53/47/266175347.db2.gz DCTGJDQXQVFMCQ-GFCCVEGCSA-N 0 0 345.355 2.506 10 5 EFBERN COc1ccc(-c2noc([C@H](C)n3cc([N+](=O)[O-])c(C)n3)n2)cc1 ZINC000272353874 266240021 /nfs/dbraw/zinc/24/00/21/266240021.db2.gz LKKWHLMVGNBICW-JTQLQIEISA-N 0 0 329.316 2.768 10 5 EFBERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272382729 266249188 /nfs/dbraw/zinc/24/91/88/266249188.db2.gz BOZGNDQGEDOMRV-VIFPVBQESA-N 0 0 345.384 2.771 10 5 EFBERN Cc1c(Br)cc(C(=O)NC(C)(C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000272796509 266384439 /nfs/dbraw/zinc/38/44/39/266384439.db2.gz KGDHUHSYYCOVEE-QMMMGPOBSA-N 0 0 345.193 2.555 10 5 EFBERN COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000272848389 266397079 /nfs/dbraw/zinc/39/70/79/266397079.db2.gz PWXFOASJNMPZJI-AAEUAGOBSA-N 0 0 336.392 2.550 10 5 EFBERN COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000272848392 266397262 /nfs/dbraw/zinc/39/72/62/266397262.db2.gz PWXFOASJNMPZJI-YPMHNXCESA-N 0 0 336.392 2.550 10 5 EFBERN Cc1c(CC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000273666003 266532946 /nfs/dbraw/zinc/53/29/46/266532946.db2.gz XIDFJXSZGJSGFO-GDBMZVCRSA-N 0 0 334.416 2.701 10 5 EFBERN CC(C)Oc1cccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)c1 ZINC000273783299 266553772 /nfs/dbraw/zinc/55/37/72/266553772.db2.gz GKCSAEXSGQNTHR-UHFFFAOYSA-N 0 0 329.316 2.833 10 5 EFBERN CC1(C)SC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000276188874 266939070 /nfs/dbraw/zinc/93/90/70/266939070.db2.gz DMFQOLNJGGNOEQ-CQSZACIVSA-N 0 0 335.429 2.819 10 5 EFBERN Cc1ccnc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1[N+](=O)[O-] ZINC000276684306 267035289 /nfs/dbraw/zinc/03/52/89/267035289.db2.gz GIVJIRIRAUKXSB-CQSZACIVSA-N 0 0 344.346 2.650 10 5 EFBERN Cc1cc(NCC2(C)OCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000276759780 267044152 /nfs/dbraw/zinc/04/41/52/267044152.db2.gz AFCZOIRBUBJZNN-UHFFFAOYSA-N 0 0 344.371 2.925 10 5 EFBERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000276821530 267055714 /nfs/dbraw/zinc/05/57/14/267055714.db2.gz UFARHQNJFFGUQN-PRXAMGSTSA-N 0 0 341.367 2.921 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2CCS[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000276866268 267064167 /nfs/dbraw/zinc/06/41/67/267064167.db2.gz BYLHCBVTGMXDCH-SECBINFHSA-N 0 0 348.421 2.558 10 5 EFBERN C[C@@H](NS(=O)(=O)c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000276989127 267093297 /nfs/dbraw/zinc/09/32/97/267093297.db2.gz ZPMZYNGSMNNQRD-GFCCVEGCSA-N 0 0 349.412 2.700 10 5 EFBERN C[C@@H]1C[C@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000277035312 267103402 /nfs/dbraw/zinc/10/34/02/267103402.db2.gz FIGLKNBWROLKMP-ZJUUUORDSA-N 0 0 334.763 2.862 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H](CC(F)(F)F)C1 ZINC000277459620 267182994 /nfs/dbraw/zinc/18/29/94/267182994.db2.gz OWPQPUBUUKUBOZ-MRVPVSSYSA-N 0 0 346.261 2.738 10 5 EFBERN C[C@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000277558227 267197025 /nfs/dbraw/zinc/19/70/25/267197025.db2.gz RMISUKITKJBPIB-UFBFGSQYSA-N 0 0 343.177 2.512 10 5 EFBERN CCOC(=O)c1ccnc(N2CC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000277559785 267198078 /nfs/dbraw/zinc/19/80/78/267198078.db2.gz YPJPHRTUTRUFFG-VIFPVBQESA-N 0 0 347.293 2.945 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC2(CC2)CC1 ZINC000277565260 267199468 /nfs/dbraw/zinc/19/94/68/267199468.db2.gz SGONUFIAICUXQI-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000277627437 267216569 /nfs/dbraw/zinc/21/65/69/267216569.db2.gz RRCJVZIEQWOUHE-HNNXBMFYSA-N 0 0 348.380 2.879 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOC[C@H]1C ZINC000277742895 267250603 /nfs/dbraw/zinc/25/06/03/267250603.db2.gz RBBOGKFPKUCHRX-CJNGLKHVSA-N 0 0 335.404 2.940 10 5 EFBERN Cc1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277755618 267254502 /nfs/dbraw/zinc/25/45/02/267254502.db2.gz CKEIAYRZYFEOCT-YPMHNXCESA-N 0 0 346.305 2.679 10 5 EFBERN Cc1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000277755612 267254522 /nfs/dbraw/zinc/25/45/22/267254522.db2.gz CKEIAYRZYFEOCT-AAEUAGOBSA-N 0 0 346.305 2.679 10 5 EFBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000277788560 267262702 /nfs/dbraw/zinc/26/27/02/267262702.db2.gz UZCQXGPVZQFZSN-LLVKDONJSA-N 0 0 347.758 2.979 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277839419 267276761 /nfs/dbraw/zinc/27/67/61/267276761.db2.gz SCDQSDZZFVFJHS-SWLSCSKDSA-N 0 0 326.418 2.555 10 5 EFBERN CCCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000277934554 267301894 /nfs/dbraw/zinc/30/18/94/267301894.db2.gz NIPVYLMFJVAWRM-UHFFFAOYSA-N 0 0 332.360 2.802 10 5 EFBERN CCC1(O)CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000278027107 267324758 /nfs/dbraw/zinc/32/47/58/267324758.db2.gz QRZNNAVRIAGQKU-UHFFFAOYSA-N 0 0 326.780 2.934 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000278218942 267372299 /nfs/dbraw/zinc/37/22/99/267372299.db2.gz LEHXFKORNCSLAJ-UHFFFAOYSA-N 0 0 331.332 2.606 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C)(CO)CC1 ZINC000278479594 267454716 /nfs/dbraw/zinc/45/47/16/267454716.db2.gz JDDWJIVNFMVHJD-UHFFFAOYSA-N 0 0 326.780 2.791 10 5 EFBERN CCc1nnc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000278492762 267458559 /nfs/dbraw/zinc/45/85/59/267458559.db2.gz KBUSXTRIPTXTOM-QMMMGPOBSA-N 0 0 337.767 2.728 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCCOC1 ZINC000278504741 267463112 /nfs/dbraw/zinc/46/31/12/267463112.db2.gz VZZMXLCCLONMCR-LLVKDONJSA-N 0 0 347.293 2.592 10 5 EFBERN COc1cc(NCC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000278881704 267594012 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C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[C@@H]3C)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000293951702 295085942 /nfs/dbraw/zinc/08/59/42/295085942.db2.gz FSDRXYGXXMAHPO-MPZDIEGVSA-N 0 0 345.399 2.556 10 5 EFBERN COC[C@@H]1CCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000294022327 295099551 /nfs/dbraw/zinc/09/95/51/295099551.db2.gz WTTGKXAUTKMAFZ-HNNXBMFYSA-N 0 0 347.415 2.692 10 5 EFBERN CC1(C)CCC[C@@]1(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294043069 295102612 /nfs/dbraw/zinc/10/26/12/295102612.db2.gz FKLNVSAVTIAAGZ-QGZVFWFLSA-N 0 0 331.372 2.747 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000294092989 295109443 /nfs/dbraw/zinc/10/94/43/295109443.db2.gz XQWHYRMSVNZJKH-PHIMTYICSA-N 0 0 325.796 2.721 10 5 EFBERN CCc1noc(C)c1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294102306 295111220 /nfs/dbraw/zinc/11/12/20/295111220.db2.gz UFNXWQHRMLTQCP-UHFFFAOYSA-N 0 0 342.355 2.794 10 5 EFBERN COc1cc(C(=O)N2C[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000294109355 295112400 /nfs/dbraw/zinc/11/24/00/295112400.db2.gz MYKBCBFCZSOLOS-JGVFFNPUSA-N 0 0 330.287 2.685 10 5 EFBERN CCc1noc(C)c1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000294117152 295113749 /nfs/dbraw/zinc/11/37/49/295113749.db2.gz VGIDDQKLWDCKRI-UHFFFAOYSA-N 0 0 342.355 2.725 10 5 EFBERN CCc1noc(C)c1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000294122620 295114657 /nfs/dbraw/zinc/11/46/57/295114657.db2.gz VOJXNIKHWPJISE-UHFFFAOYSA-N 0 0 333.344 2.539 10 5 EFBERN O=C(c1ccnn1CC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000294273513 295139186 /nfs/dbraw/zinc/13/91/86/295139186.db2.gz DKAZTVIPPJMGNB-UHFFFAOYSA-N 0 0 340.261 2.557 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000294324165 295147111 /nfs/dbraw/zinc/14/71/11/295147111.db2.gz PNIIZADACMDEDW-UHFFFAOYSA-N 0 0 348.384 2.901 10 5 EFBERN Cc1ccc2c(c1)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C2 ZINC000294439454 295167564 /nfs/dbraw/zinc/16/75/64/295167564.db2.gz ZFXPFKFZFBGPFM-UHFFFAOYSA-N 0 0 328.372 2.614 10 5 EFBERN COC[C@@H]1CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000294531786 295181557 /nfs/dbraw/zinc/18/15/57/295181557.db2.gz ZXZVDGFTMYHKCT-ZDUSSCGKSA-N 0 0 327.340 2.518 10 5 EFBERN CN(C[C@@H]1CCCO1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294720626 295214580 /nfs/dbraw/zinc/21/45/80/295214580.db2.gz ZNNIARVMZRVNOY-JTQLQIEISA-N 0 0 332.278 2.865 10 5 EFBERN CC[C@H](N[C@@H](C)c1nc(N)nc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000294900979 295243110 /nfs/dbraw/zinc/24/31/10/295243110.db2.gz DSWZQZLNNWARKY-KWQFWETISA-N 0 0 336.783 2.817 10 5 EFBERN CC[C@@H](N[C@H](C)c1nc(N)nc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000294900984 295243170 /nfs/dbraw/zinc/24/31/70/295243170.db2.gz DSWZQZLNNWARKY-LDYMZIIASA-N 0 0 336.783 2.817 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000374959243 295253005 /nfs/dbraw/zinc/25/30/05/295253005.db2.gz CSFVDRYVOASDEY-LBPRGKRZSA-N 0 0 334.372 2.635 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)C[C@H]1CCCC1(F)F ZINC000295080528 295265817 /nfs/dbraw/zinc/26/58/17/295265817.db2.gz DZFXDNRGVZXMCV-MRVPVSSYSA-N 0 0 339.291 2.878 10 5 EFBERN COc1cccc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000341994962 295284116 /nfs/dbraw/zinc/28/41/16/295284116.db2.gz MWSBPDTWRLZBTN-AWEZNQCLSA-N 0 0 344.371 2.704 10 5 EFBERN CO[C@H]1COCC[C@H]1CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000295237763 295286247 /nfs/dbraw/zinc/28/62/47/295286247.db2.gz ZWBWTABBDOHIAQ-WFASDCNBSA-N 0 0 345.355 2.523 10 5 EFBERN CO[C@H]1COCC[C@@H]1CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000295237754 295286307 /nfs/dbraw/zinc/28/63/07/295286307.db2.gz ZWBWTABBDOHIAQ-DOMZBBRYSA-N 0 0 345.355 2.523 10 5 EFBERN COc1cccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000444341884 295288540 /nfs/dbraw/zinc/28/85/40/295288540.db2.gz SQHAWBMJQRKXFO-GFCCVEGCSA-N 0 0 342.351 2.534 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CCC(O)CC2)CC1 ZINC000295301761 295296615 /nfs/dbraw/zinc/29/66/15/295296615.db2.gz FDDVPPILZFDIDC-UHFFFAOYSA-N 0 0 332.400 2.681 10 5 EFBERN CC(F)(F)CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295565604 295341866 /nfs/dbraw/zinc/34/18/66/295341866.db2.gz LVWQTOQSEJMCFC-UHFFFAOYSA-N 0 0 338.314 2.946 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)c1[N+](=O)[O-] ZINC000295583478 295344737 /nfs/dbraw/zinc/34/47/37/295344737.db2.gz NLDCWNZQLHQEFM-LBPRGKRZSA-N 0 0 336.298 2.712 10 5 EFBERN CCOC(=O)c1ccnc(NCCc2ncccc2C)c1[N+](=O)[O-] ZINC000295701917 295363043 /nfs/dbraw/zinc/36/30/43/295363043.db2.gz JFHYYNBBIYPLTH-UHFFFAOYSA-N 0 0 330.344 2.525 10 5 EFBERN COc1cccc(N2CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)c1 ZINC000295711527 295364513 /nfs/dbraw/zinc/36/45/13/295364513.db2.gz CUVZHELSTQGZPA-CQSZACIVSA-N 0 0 349.431 2.616 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295733551 295367969 /nfs/dbraw/zinc/36/79/69/295367969.db2.gz WDTRYEBWGDVMFF-JTQLQIEISA-N 0 0 346.355 2.723 10 5 EFBERN Nc1nccc([C@@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000192757310 295372287 /nfs/dbraw/zinc/37/22/87/295372287.db2.gz CHAQXQJYNVEKCV-SECBINFHSA-N 0 0 335.314 2.629 10 5 EFBERN O=C1CC[C@H](COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000296168967 295435214 /nfs/dbraw/zinc/43/52/14/295435214.db2.gz ZGERIAVDRIOMSE-VIFPVBQESA-N 0 0 332.278 2.909 10 5 EFBERN C[C@@H]1C[C@@]2(CCO1)CN(c1c3c(ccc1[N+](=O)[O-])NCC3)C[C@@H](C)O2 ZINC000373772329 297317650 /nfs/dbraw/zinc/31/76/50/297317650.db2.gz PQICAXLXVMABAK-VFVRVIDISA-N 0 0 347.415 2.726 10 5 EFBERN C[C@@H]1C[C@]2(CCO1)CN(c1c3c(ccc1[N+](=O)[O-])NCC3)C[C@@H](C)O2 ZINC000373772326 297495409 /nfs/dbraw/zinc/49/54/09/297495409.db2.gz PQICAXLXVMABAK-SNUQEOBHSA-N 0 0 347.415 2.726 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000352723448 301195745 /nfs/dbraw/zinc/19/57/45/301195745.db2.gz BRLMLVRZCKGIEF-LLVKDONJSA-N 0 0 338.307 2.537 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000069351911 301670215 /nfs/dbraw/zinc/67/02/15/301670215.db2.gz IGYCUDAFJFJDDD-AWEZNQCLSA-N 0 0 347.396 2.824 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@]3(CCOC3)C2)c1 ZINC000456710555 301856855 /nfs/dbraw/zinc/85/68/55/301856855.db2.gz HWYMZKKCWQZZFB-GOSISDBHSA-N 0 0 348.399 2.701 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000189126086 301918810 /nfs/dbraw/zinc/91/88/10/301918810.db2.gz KGDYAPYZUWWBHF-UHFFFAOYSA-N 0 0 333.731 2.991 10 5 EFBERN Cc1nc([C@H]2CCCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000371594702 302636473 /nfs/dbraw/zinc/63/64/73/302636473.db2.gz XJTUXNDOOIGHMP-OAHLLOKOSA-N 0 0 344.371 2.973 10 5 EFBERN Cn1cccc1[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080770136 302981529 /nfs/dbraw/zinc/98/15/29/302981529.db2.gz ZNRXIDHGCAMBNI-CQSZACIVSA-N 0 0 349.412 2.849 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000089780806 303655996 /nfs/dbraw/zinc/65/59/96/303655996.db2.gz VJBGJCNQHKLUQH-ZBFHGGJFSA-N 0 0 344.367 2.845 10 5 EFBERN COC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000159230003 310684449 /nfs/dbraw/zinc/68/44/49/310684449.db2.gz SQBQMXWFLTYNMV-UHFFFAOYSA-N 0 0 334.353 2.681 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1ccccc1Cl ZINC000159365373 310686281 /nfs/dbraw/zinc/68/62/81/310686281.db2.gz GYGTYHLRJGEDGT-UHFFFAOYSA-N 0 0 335.747 2.760 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000160566114 310700509 /nfs/dbraw/zinc/70/05/09/310700509.db2.gz SKQFEVMMDWUKGQ-IRXDYDNUSA-N 0 0 325.368 2.993 10 5 EFBERN COc1ccc(N(C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)C2CC2)cc1 ZINC000165669891 310732824 /nfs/dbraw/zinc/73/28/24/310732824.db2.gz VWXCTEWDPZJYTO-LLVKDONJSA-N 0 0 344.371 2.782 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c(c1)OCO2 ZINC000171447303 310747969 /nfs/dbraw/zinc/74/79/69/310747969.db2.gz ZVSWWWLKRBHGPZ-SNVBAGLBSA-N 0 0 326.308 2.915 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccc(F)cc1 ZINC000172073805 310756964 /nfs/dbraw/zinc/75/69/64/310756964.db2.gz ZCGSLCBTLBRAOW-UHFFFAOYSA-N 0 0 333.319 2.588 10 5 EFBERN CN(Cc1cnccn1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172154203 310757486 /nfs/dbraw/zinc/75/74/86/310757486.db2.gz TYVIYDMXNODKBO-UHFFFAOYSA-N 0 0 328.353 2.872 10 5 EFBERN COc1ccccc1NC(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC000178950107 310780323 /nfs/dbraw/zinc/78/03/23/310780323.db2.gz YEKOVMKWRRMTJQ-UHFFFAOYSA-N 0 0 327.340 2.605 10 5 EFBERN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC000179219272 310783232 /nfs/dbraw/zinc/78/32/32/310783232.db2.gz DAQWWFLIWLCMHC-SNVBAGLBSA-N 0 0 343.368 2.728 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCC(C)(F)F ZINC000296429785 310818864 /nfs/dbraw/zinc/81/88/64/310818864.db2.gz ZYTKVQOGHLKERJ-UHFFFAOYSA-N 0 0 343.330 2.702 10 5 EFBERN COC(=O)[C@H]1CCCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C1 ZINC000297327370 310881579 /nfs/dbraw/zinc/88/15/79/310881579.db2.gz ZXSKZLYYTAQVNA-NSHDSACASA-N 0 0 345.355 2.541 10 5 EFBERN CCc1cc(NC(=O)c2cnn(CC)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000297786108 310929918 /nfs/dbraw/zinc/92/99/18/310929918.db2.gz LJXPPVKDFJLBJQ-UHFFFAOYSA-N 0 0 340.343 2.569 10 5 EFBERN CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000297815415 310932187 /nfs/dbraw/zinc/93/21/87/310932187.db2.gz FVAKEFLNHOGTAX-XHVZSJERSA-N 0 0 345.346 2.668 10 5 EFBERN CO[C@@H]1COCC[C@@H]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297979159 310945342 /nfs/dbraw/zinc/94/53/42/310945342.db2.gz YHKUUUITPIYFMA-NOZJJQNGSA-N 0 0 328.752 2.628 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000298086465 310955610 /nfs/dbraw/zinc/95/56/10/310955610.db2.gz LGKVHHRNLGSGIY-OAHLLOKOSA-N 0 0 333.388 2.836 10 5 EFBERN CC(C)(C(=O)N[C@@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000298238185 310970531 /nfs/dbraw/zinc/97/05/31/310970531.db2.gz IUCZPJARSGGSAG-NWDGAFQWSA-N 0 0 338.379 2.679 10 5 EFBERN CC(C)(C(=O)N[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000298238183 310970604 /nfs/dbraw/zinc/97/06/04/310970604.db2.gz IUCZPJARSGGSAG-NEPJUHHUSA-N 0 0 338.379 2.679 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000298259454 310972720 /nfs/dbraw/zinc/97/27/20/310972720.db2.gz KRSXEUROLKIRKU-YNEHKIRRSA-N 0 0 338.429 2.743 10 5 EFBERN Cc1sc(C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000298291789 310975474 /nfs/dbraw/zinc/97/54/74/310975474.db2.gz FNIFYWAZJYNBII-NSHDSACASA-N 0 0 348.380 2.877 10 5 EFBERN CCCN(C(=O)C[C@@H]1CCOC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000298643743 311010514 /nfs/dbraw/zinc/01/05/14/311010514.db2.gz NVANYNQQXZADTB-XJKSGUPXSA-N 0 0 336.388 2.779 10 5 EFBERN CCCN(C(=O)C[C@@H]1CCOC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000298643734 311010589 /nfs/dbraw/zinc/01/05/89/311010589.db2.gz NVANYNQQXZADTB-BBRMVZONSA-N 0 0 336.388 2.779 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(N2CCCC2)c(F)c1 ZINC000298766997 311021567 /nfs/dbraw/zinc/02/15/67/311021567.db2.gz ZHNVHYJCEUBOQD-UHFFFAOYSA-N 0 0 345.334 2.572 10 5 EFBERN Cc1c(OC(=O)[C@@H]2CCCCN2C(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000298838937 311027628 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2.984 10 5 EFBERN COC(=O)c1cc(-c2nc(-c3cncs3)no2)cc([N+](=O)[O-])c1 ZINC000350911820 311833555 /nfs/dbraw/zinc/83/35/55/311833555.db2.gz SRSHJQCLIPFRLT-UHFFFAOYSA-N 0 0 332.297 2.555 10 5 EFBERN C[C@@H]1CC[C@H](c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000350975376 311839460 /nfs/dbraw/zinc/83/94/60/311839460.db2.gz CBERVRDFZMUSKE-YPMHNXCESA-N 0 0 344.371 2.740 10 5 EFBERN Cc1c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)nn2c1OCCC2 ZINC000351059433 311847503 /nfs/dbraw/zinc/84/75/03/311847503.db2.gz BMTYXLIJABVTTK-UHFFFAOYSA-N 0 0 341.327 2.523 10 5 EFBERN Cc1c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn2c1OCCC2 ZINC000351065880 311848110 /nfs/dbraw/zinc/84/81/10/311848110.db2.gz BPTIWZWHMAEYFB-UHFFFAOYSA-N 0 0 327.300 2.599 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc4c3O[C@@H](C)C4)n2)n1C ZINC000351105188 311853323 /nfs/dbraw/zinc/85/33/23/311853323.db2.gz NLIHQZXKQMZSGT-QMMMGPOBSA-N 0 0 341.327 2.677 10 5 EFBERN Cc1ocnc1-c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000351148051 311858540 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2.727 10 5 EFBERN CC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000412709237 312003570 /nfs/dbraw/zinc/00/35/70/312003570.db2.gz BYAHEPODINLZCT-GWCFXTLKSA-N 0 0 346.330 2.722 10 5 EFBERN C[C@H]1CC(C)(C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000412785057 312012885 /nfs/dbraw/zinc/01/28/85/312012885.db2.gz ROFRGZSDEWPJJP-NSHDSACASA-N 0 0 334.372 2.556 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC(c3ccccc3)(C(C)C)C2)c1[N+](=O)[O-] ZINC000412799705 312015366 /nfs/dbraw/zinc/01/53/66/312015366.db2.gz YEYINJIZVAGYTA-UHFFFAOYSA-N 0 0 342.399 2.687 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000412940228 312039649 /nfs/dbraw/zinc/03/96/49/312039649.db2.gz DNXBMURPHLYUKX-OAHLLOKOSA-N 0 0 343.358 2.672 10 5 EFBERN O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000412952848 312042028 /nfs/dbraw/zinc/04/20/28/312042028.db2.gz YEYDHDLKNJKPQR-NSHDSACASA-N 0 0 335.360 2.804 10 5 EFBERN CO[C@H](CC(C)C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000415441511 312139745 /nfs/dbraw/zinc/13/97/45/312139745.db2.gz FCKMOVQTLINDMN-MRXNPFEDSA-N 0 0 331.372 2.873 10 5 EFBERN CCn1nncc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418032905 312312969 /nfs/dbraw/zinc/31/29/69/312312969.db2.gz MQSGULXLEZHSJR-UHFFFAOYSA-N 0 0 329.282 2.515 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@]23CCOC3)nc1OCc1ccccc1 ZINC000420635004 312377492 /nfs/dbraw/zinc/37/74/92/312377492.db2.gz DUBXNKHUGPOWRB-GOSISDBHSA-N 0 0 341.367 2.938 10 5 EFBERN CC[C@H]1C[C@@H](Nc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CCO1 ZINC000420640641 312377692 /nfs/dbraw/zinc/37/76/92/312377692.db2.gz QYNBJZCWDYJIGP-RYUDHWBXSA-N 0 0 331.372 2.943 10 5 EFBERN CC[C@@H]1C[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000420640670 312377908 /nfs/dbraw/zinc/37/79/08/312377908.db2.gz RDHFMMAYJMTCOV-JKSUJKDBSA-N 0 0 349.431 2.797 10 5 EFBERN CCc1cc(N2CC[C@]23CCOC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420642994 312378180 /nfs/dbraw/zinc/37/81/80/312378180.db2.gz PSCMXUJGWPJPGL-GOSISDBHSA-N 0 0 340.383 2.983 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC23CCSCC3)n1 ZINC000420651605 312379194 /nfs/dbraw/zinc/37/91/94/312379194.db2.gz KJZNYUOOMVWSOQ-JTQLQIEISA-N 0 0 337.401 2.722 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC12CCSCC2 ZINC000420787600 312390529 /nfs/dbraw/zinc/39/05/29/312390529.db2.gz WHSIHEOAGXQPBK-CYBMUJFWSA-N 0 0 335.429 2.927 10 5 EFBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCN1c1cccc(Cl)c1 ZINC000426417031 312517986 /nfs/dbraw/zinc/51/79/86/312517986.db2.gz OHQNCFWACNGEPC-CYBMUJFWSA-N 0 0 332.747 2.861 10 5 EFBERN COc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426951800 312536173 /nfs/dbraw/zinc/53/61/73/312536173.db2.gz RLBZBJJYEYNBGJ-UHFFFAOYSA-N 0 0 328.324 2.815 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CCOC)[C@@H](C)c2ccccc2)n1 ZINC000427194197 312537299 /nfs/dbraw/zinc/53/72/99/312537299.db2.gz RUTJHBPRNAQFSM-ZDUSSCGKSA-N 0 0 346.387 2.661 10 5 EFBERN C[C@@H]1C[C@H]1N1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC1=O ZINC000432314022 312555706 /nfs/dbraw/zinc/55/57/06/312555706.db2.gz MRKUEWBGWGKLCX-UEKVPHQBSA-N 0 0 326.356 2.564 10 5 EFBERN COc1cnccc1[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000438602405 312622094 /nfs/dbraw/zinc/62/20/94/312622094.db2.gz YCTOLFGGVWEDNJ-SNVBAGLBSA-N 0 0 340.339 2.971 10 5 EFBERN CCOC(=O)C1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000438963310 312627853 /nfs/dbraw/zinc/62/78/53/312627853.db2.gz NSQIMIIQGFZJMP-UHFFFAOYSA-N 0 0 340.763 2.630 10 5 EFBERN CCCN(CC(=O)OCC)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439110472 312633873 /nfs/dbraw/zinc/63/38/73/312633873.db2.gz JJBATXHTUVOEKD-UHFFFAOYSA-N 0 0 342.779 2.972 10 5 EFBERN CN(C(=O)c1cccc(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000439131777 312636260 /nfs/dbraw/zinc/63/62/60/312636260.db2.gz IPMVETWYDLOKIO-UHFFFAOYSA-N 0 0 339.351 2.764 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CC12CCCC2 ZINC000446909220 312659476 /nfs/dbraw/zinc/65/94/76/312659476.db2.gz WLMHYNDNIHHYAU-CYBMUJFWSA-N 0 0 329.360 2.603 10 5 EFBERN C[C@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000447172375 312671601 /nfs/dbraw/zinc/67/16/01/312671601.db2.gz QTMQLGGTSIZFTF-KRWDZBQOSA-N 0 0 346.408 2.947 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CCOCC4)[C@H]3C3CC3)nc2c1 ZINC000450545508 312703882 /nfs/dbraw/zinc/70/38/82/312703882.db2.gz YFFYIMOBYQMNRL-OAHLLOKOSA-N 0 0 328.372 2.867 10 5 EFBERN COc1cc(NC[C@H]2CS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000450571583 312711186 /nfs/dbraw/zinc/71/11/86/312711186.db2.gz ZQTWYOVMHLLRNY-NSHDSACASA-N 0 0 348.380 2.586 10 5 EFBERN COC[C@@](C)(O)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000450591255 312716617 /nfs/dbraw/zinc/71/66/17/312716617.db2.gz JOLGUMJOSLXSGG-LBPRGKRZSA-N 0 0 333.182 2.557 10 5 EFBERN O=C(c1ccc(C(F)(F)F)[nH]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450631627 312725457 /nfs/dbraw/zinc/72/54/57/312725457.db2.gz GCZKDSCPADZVTG-UHFFFAOYSA-N 0 0 340.261 2.535 10 5 EFBERN CC[C@H]1[C@H](CO)CCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450653010 312730887 /nfs/dbraw/zinc/73/08/87/312730887.db2.gz GFJZDTVFSFSSCH-HOCLYGCPSA-N 0 0 342.399 2.957 10 5 EFBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1CCCCCC1 ZINC000450725785 312733659 /nfs/dbraw/zinc/73/36/59/312733659.db2.gz DNJKYGJZGKASFL-UHFFFAOYSA-N 0 0 327.406 2.625 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCC3(CF)CCOCC3)cc2N1 ZINC000450733740 312735011 /nfs/dbraw/zinc/73/50/11/312735011.db2.gz RUISDCYXSYTXJO-UHFFFAOYSA-N 0 0 337.351 2.658 10 5 EFBERN CS(=O)(=O)c1ccc(N2C[C@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000450800189 312749588 /nfs/dbraw/zinc/74/95/88/312749588.db2.gz UQNKSSZSTOJSKU-CJNGLKHVSA-N 0 0 336.413 2.623 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C3CC3)[C@H]2C2CC2)s1 ZINC000450802596 312750196 /nfs/dbraw/zinc/75/01/96/312750196.db2.gz ZHHFLPHHFVVVPU-GXFFZTMASA-N 0 0 342.442 2.685 10 5 EFBERN CCc1ncc(CNc2ncc(Br)cc2[N+](=O)[O-])o1 ZINC000450849508 312758216 /nfs/dbraw/zinc/75/82/16/312758216.db2.gz VHSIXGRMEXWZAQ-UHFFFAOYSA-N 0 0 327.138 2.915 10 5 EFBERN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)nc1 ZINC000450933135 312777657 /nfs/dbraw/zinc/77/76/57/312777657.db2.gz BVVABKZWWFUIST-UHFFFAOYSA-N 0 0 328.372 2.633 10 5 EFBERN CCOc1cc(CN[C@@](C)(CO)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000451044041 312804752 /nfs/dbraw/zinc/80/47/52/312804752.db2.gz UOMJLPHCRJJKIJ-SFHVURJKSA-N 0 0 346.383 2.696 10 5 EFBERN Cn1nc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c2c1CCCC2 ZINC000453052261 312851366 /nfs/dbraw/zinc/85/13/66/312851366.db2.gz CLGNVEXIKHDJBZ-UHFFFAOYSA-N 0 0 339.355 2.848 10 5 EFBERN Cc1cc(Cc2noc(-c3cn(CC4CC4)nn3)n2)ccc1[N+](=O)[O-] ZINC000453157130 312872443 /nfs/dbraw/zinc/87/24/43/312872443.db2.gz YJALXSGHFXMFHH-UHFFFAOYSA-N 0 0 340.343 2.546 10 5 EFBERN CC[C@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000453421323 312902221 /nfs/dbraw/zinc/90/22/21/312902221.db2.gz WMWPHNKLQMXGGX-DLBZAZTESA-N 0 0 327.384 2.798 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000456115917 313030557 /nfs/dbraw/zinc/03/05/57/313030557.db2.gz RKLVWYMNRIQGBI-ZACQAIPSSA-N 0 0 332.400 2.679 10 5 EFBERN C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1cncnc1 ZINC000456135116 313035231 /nfs/dbraw/zinc/03/52/31/313035231.db2.gz HLLQNAJMIYAWPM-HIFRSBDPSA-N 0 0 340.383 2.895 10 5 EFBERN CCOc1ccc(C(=O)NCc2ccc(C)c(C)n2)cc1[N+](=O)[O-] ZINC000457984572 313048712 /nfs/dbraw/zinc/04/87/12/313048712.db2.gz MTWJLTUVWOVCCP-UHFFFAOYSA-N 0 0 329.356 2.935 10 5 EFBERN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000458048570 313062048 /nfs/dbraw/zinc/06/20/48/313062048.db2.gz RWQRLJFWAYOMJO-OCCSQVGLSA-N 0 0 348.380 2.659 10 5 EFBERN COc1cc(OCC(=O)NC2(C3CCC3)CCC2)ccc1[N+](=O)[O-] ZINC000458244334 313092893 /nfs/dbraw/zinc/09/28/93/313092893.db2.gz WGKBVOUTJZYWIW-UHFFFAOYSA-N 0 0 334.372 2.821 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H](C)Cc1cccc(F)c1 ZINC000458266240 313098812 /nfs/dbraw/zinc/09/88/12/313098812.db2.gz GSUPZZYGOYFFRY-GFCCVEGCSA-N 0 0 348.378 2.719 10 5 EFBERN CC(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462493036 313115069 /nfs/dbraw/zinc/11/50/69/313115069.db2.gz SFLILFVIAPRRAV-HNNXBMFYSA-N 0 0 345.399 2.810 10 5 EFBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CC(F)F)CC1 ZINC000470184909 313130433 /nfs/dbraw/zinc/13/04/33/313130433.db2.gz IUTJCGCWCMAXDH-LCYFTJDESA-N 0 0 325.359 2.881 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000470360143 313131164 /nfs/dbraw/zinc/13/11/64/313131164.db2.gz YAXGKGDYJOLHBU-JKSUJKDBSA-N 0 0 347.415 2.595 10 5 EFBERN COc1cc(OC)cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000479489914 313269402 /nfs/dbraw/zinc/26/94/02/313269402.db2.gz MFJBLYDMOVHOEU-ZDUSSCGKSA-N 0 0 344.371 2.698 10 5 EFBERN COc1cc(OC)cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000479489912 313269439 /nfs/dbraw/zinc/26/94/39/313269439.db2.gz MFJBLYDMOVHOEU-CYBMUJFWSA-N 0 0 344.371 2.698 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000480065136 313278622 /nfs/dbraw/zinc/27/86/22/313278622.db2.gz ZIKMNIVBPIHJKM-HOCLYGCPSA-N 0 0 349.431 2.842 10 5 EFBERN Cc1cc(S(=O)(=O)NC/C=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000480050501 313278960 /nfs/dbraw/zinc/27/89/60/313278960.db2.gz YFQUJZHMYRNDTG-YVMONPNESA-N 0 0 332.381 2.895 10 5 EFBERN CC(C)[C@@H](CCc1ccccc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000481573347 313294726 /nfs/dbraw/zinc/29/47/26/313294726.db2.gz TYRIMVHJOSXMDR-QGZVFWFLSA-N 0 0 344.415 2.813 10 5 EFBERN COc1c(F)cc(S(=O)(=O)N(C)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000486955098 313351299 /nfs/dbraw/zinc/35/12/99/313351299.db2.gz KBHMWIIVIVANOL-UHFFFAOYSA-N 0 0 346.380 2.696 10 5 EFBERN CCOc1cc(N2CC(=O)N(C(C)C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000486958994 313352435 /nfs/dbraw/zinc/35/24/35/313352435.db2.gz UJVKQASUNLJXFD-UHFFFAOYSA-N 0 0 335.404 2.829 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(O)cc1F ZINC000487149566 313370703 /nfs/dbraw/zinc/37/07/03/313370703.db2.gz AXDBMTATXJFWOY-UHFFFAOYSA-N 0 0 326.230 2.899 10 5 EFBERN Cc1c(CNC(=O)C[C@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000487312408 313385320 /nfs/dbraw/zinc/38/53/20/313385320.db2.gz RNMZQACKYBOLRD-MRXNPFEDSA-N 0 0 328.368 2.513 10 5 EFBERN COc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(O)c1 ZINC000487375535 313388377 /nfs/dbraw/zinc/38/83/77/313388377.db2.gz LGCZEBYJHZNXGE-UHFFFAOYSA-N 0 0 338.266 2.768 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)Cc2ccccc2C)n1 ZINC000487433028 313392932 /nfs/dbraw/zinc/39/29/32/313392932.db2.gz UPQXKCQIDCDVEU-ZDUSSCGKSA-N 0 0 330.388 2.823 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCCCO[C@@H]1CCCCO1 ZINC000487729849 313422198 /nfs/dbraw/zinc/42/21/98/313422198.db2.gz ZNLKKTVHABMCQS-MRXNPFEDSA-N 0 0 331.372 2.910 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487743462 313424548 /nfs/dbraw/zinc/42/45/48/313424548.db2.gz VVZCWEZTCHEGJZ-NEPJUHHUSA-N 0 0 329.356 2.709 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000487865491 313434439 /nfs/dbraw/zinc/43/44/39/313434439.db2.gz AFPWRRGFSBTKQV-GFCCVEGCSA-N 0 0 329.356 2.750 10 5 EFBERN CC[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000487896739 313436047 /nfs/dbraw/zinc/43/60/47/313436047.db2.gz KZLZWWAZJKQRMZ-ZFWWWQNUSA-N 0 0 347.415 2.809 10 5 EFBERN CNC(=O)c1cccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c1 ZINC000487916727 313437985 /nfs/dbraw/zinc/43/79/85/313437985.db2.gz WRPMCMLLOUKFRT-UHFFFAOYSA-N 0 0 336.351 2.537 10 5 EFBERN CCOC(=O)c1cc(Nc2c3ccccc3ncc2[N+](=O)[O-])cn1C ZINC000488077379 313455914 /nfs/dbraw/zinc/45/59/14/313455914.db2.gz PCWJKRVFUIXNJF-UHFFFAOYSA-N 0 0 340.339 2.824 10 5 EFBERN Cc1cc(F)ccc1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000488134716 313461386 /nfs/dbraw/zinc/46/13/86/313461386.db2.gz FFFHVOWPODVKIQ-UHFFFAOYSA-N 0 0 345.330 2.639 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000488426780 313483098 /nfs/dbraw/zinc/48/30/98/313483098.db2.gz FFCBVUZGEUFBBZ-GXTWGEPZSA-N 0 0 326.299 2.863 10 5 EFBERN CC1(C)CC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000489512901 313584115 /nfs/dbraw/zinc/58/41/15/313584115.db2.gz FVCMUCLOOBPOOX-OAHLLOKOSA-N 0 0 333.388 2.620 10 5 EFBERN O=C1NCCC[C@@H]1Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000489627216 313595124 /nfs/dbraw/zinc/59/51/24/313595124.db2.gz SHXQGQVCSYVPBT-JTQLQIEISA-N 0 0 331.191 2.728 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000491720949 313776560 /nfs/dbraw/zinc/77/65/60/313776560.db2.gz PORLUMAZIXYOGK-SNVBAGLBSA-N 0 0 341.314 2.536 10 5 EFBERN CCOC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492256620 313926322 /nfs/dbraw/zinc/92/63/22/313926322.db2.gz HOBHFOSCOIZQNY-UWVGGRQHSA-N 0 0 330.768 2.557 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2N)cc1[N+](=O)[O-] ZINC000493889349 314513292 /nfs/dbraw/zinc/51/32/92/314513292.db2.gz USLFCNKFLCZECZ-UHFFFAOYSA-N 0 0 349.412 2.615 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[C@@H](C(F)(F)F)C3)nn21 ZINC000502325528 315433624 /nfs/dbraw/zinc/43/36/24/315433624.db2.gz KGJJNHYDACIYKX-VHSXEESVSA-N 0 0 343.309 2.840 10 5 EFBERN Cn1c(C(=O)NCC2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000505699856 315462663 /nfs/dbraw/zinc/46/26/63/315462663.db2.gz KUBPWEDUCZBOOW-UHFFFAOYSA-N 0 0 342.399 2.580 10 5 EFBERN CC(C)(C(=O)Nc1n[nH]c2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000506051040 315469370 /nfs/dbraw/zinc/46/93/70/315469370.db2.gz IIQQAXCSFQECDS-UHFFFAOYSA-N 0 0 342.330 2.948 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@]3(CCSC3)C2)c1 ZINC000514601022 315543812 /nfs/dbraw/zinc/54/38/12/315543812.db2.gz WEVKQGMXNHVHLJ-MRXNPFEDSA-N 0 0 331.397 2.855 10 5 EFBERN CC(C)c1n[nH]cc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000514897028 315573352 /nfs/dbraw/zinc/57/33/52/315573352.db2.gz QAJDOEXYSQETIG-UHFFFAOYSA-N 0 0 341.371 2.895 10 5 EFBERN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000514903290 315573659 /nfs/dbraw/zinc/57/36/59/315573659.db2.gz ASTDUBNQHXSCDH-SCLBCKFNSA-N 0 0 343.383 2.917 10 5 EFBERN NS(=O)(=O)c1c(NCC2(C3CCC3)CCC2)cccc1[N+](=O)[O-] ZINC000515137467 315595398 /nfs/dbraw/zinc/59/53/98/315595398.db2.gz DKIFBOAYTMAFNC-UHFFFAOYSA-N 0 0 339.417 2.625 10 5 EFBERN CNc1nccc(C(=O)N(C)[C@@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000516661068 315695490 /nfs/dbraw/zinc/69/54/90/315695490.db2.gz KGDVQGCOBLZXPT-LBPRGKRZSA-N 0 0 328.372 2.595 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2=O)CC1 ZINC000516663149 315696413 /nfs/dbraw/zinc/69/64/13/315696413.db2.gz FONJPHGPSJXGJN-ZDUSSCGKSA-N 0 0 333.388 2.585 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCC2=O)cc1 ZINC000516706005 315698460 /nfs/dbraw/zinc/69/84/60/315698460.db2.gz RORMPVYGKFGKDY-UHFFFAOYSA-N 0 0 340.339 2.653 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cn(CC3CC3)nn2)n1 ZINC000516718760 315699428 /nfs/dbraw/zinc/69/94/28/315699428.db2.gz NJYDGYGGLHLFQM-UHFFFAOYSA-N 0 0 326.316 2.622 10 5 EFBERN C[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)n1cccc1 ZINC000517806843 315783135 /nfs/dbraw/zinc/78/31/35/315783135.db2.gz IVIKYODJNBETFH-OAHLLOKOSA-N 0 0 342.399 2.696 10 5 EFBERN CNc1ccc(C(=O)N2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000518270249 315803727 /nfs/dbraw/zinc/80/37/27/315803727.db2.gz YXRFSTSJZNBBEC-HNNXBMFYSA-N 0 0 343.387 2.737 10 5 EFBERN CC(C)OCc1ccccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000518985864 315838348 /nfs/dbraw/zinc/83/83/48/315838348.db2.gz HEXFFVSZIUVPBE-UHFFFAOYSA-N 0 0 344.371 2.626 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000519646920 315890310 /nfs/dbraw/zinc/89/03/10/315890310.db2.gz FLZXOCDOBRLLQO-UHFFFAOYSA-N 0 0 348.399 2.718 10 5 EFBERN CCc1nn(C)c(NC[C@H]2CSc3ccccc3O2)c1[N+](=O)[O-] ZINC000521230876 316010172 /nfs/dbraw/zinc/01/01/72/316010172.db2.gz VGJCSWKFGPEENL-JTQLQIEISA-N 0 0 334.401 2.856 10 5 EFBERN Cc1sc(C(=O)NCc2ccc3cnn(C)c3c2)cc1[N+](=O)[O-] ZINC000521380409 316018930 /nfs/dbraw/zinc/01/89/30/316018930.db2.gz RTQJJDJLUDQDFH-UHFFFAOYSA-N 0 0 330.369 2.781 10 5 EFBERN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)c1nc2ccccc2s1 ZINC000521542907 316029894 /nfs/dbraw/zinc/02/98/94/316029894.db2.gz PFPJCMCYOLVYPN-UHFFFAOYSA-N 0 0 345.384 2.763 10 5 EFBERN CNc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000522259046 316083999 /nfs/dbraw/zinc/08/39/99/316083999.db2.gz DSIQOZYHXRUIRQ-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN C[C@@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000522341889 316089741 /nfs/dbraw/zinc/08/97/41/316089741.db2.gz ZROBLHROIPYDEZ-ZDUSSCGKSA-N 0 0 329.356 2.679 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2ccccc2F)CC1 ZINC000524052017 316145919 /nfs/dbraw/zinc/14/59/19/316145919.db2.gz JUYJCEJHIMPKPS-UHFFFAOYSA-N 0 0 344.346 2.612 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000524188439 316149757 /nfs/dbraw/zinc/14/97/57/316149757.db2.gz XVUMUAZJLZHLPT-CYBMUJFWSA-N 0 0 343.339 2.639 10 5 EFBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000525688735 316226912 /nfs/dbraw/zinc/22/69/12/316226912.db2.gz MJAGRJVHHJZLSX-HNNXBMFYSA-N 0 0 337.401 2.501 10 5 EFBERN CCOc1c(F)cccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000525723681 316230155 /nfs/dbraw/zinc/23/01/55/316230155.db2.gz CEVXBCRAFXAQPE-UHFFFAOYSA-N 0 0 348.330 2.941 10 5 EFBERN CNc1ccc(C(=O)N[C@@H](C)c2ccncc2OC)cc1[N+](=O)[O-] ZINC000526121653 316297049 /nfs/dbraw/zinc/29/70/49/316297049.db2.gz OMVFESKJMIIQBK-JTQLQIEISA-N 0 0 330.344 2.531 10 5 EFBERN COc1cc(C(=O)N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000527472870 316382538 /nfs/dbraw/zinc/38/25/38/316382538.db2.gz JXBBAUQILLQMJM-OCAPTIKFSA-N 0 0 330.287 2.828 10 5 EFBERN COc1ccc(CC(=O)Nc2n[nH]c3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000530458134 317131110 /nfs/dbraw/zinc/13/11/10/317131110.db2.gz CRCRUXQCWDRLQE-UHFFFAOYSA-N 0 0 344.302 2.800 10 5 EFBERN C[C@@H]1C[C@H](C)N1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000530532214 317143029 /nfs/dbraw/zinc/14/30/29/317143029.db2.gz AEAOYKBSLOWOKX-OCAPTIKFSA-N 0 0 349.206 2.529 10 5 EFBERN CCOc1cc(N2C[C@H](CC)O[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000530536883 317143859 /nfs/dbraw/zinc/14/38/59/317143859.db2.gz UEEMIWIVPFICCO-WMLDXEAASA-N 0 0 336.388 2.768 10 5 EFBERN CCc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530595085 317152271 /nfs/dbraw/zinc/15/22/71/317152271.db2.gz LLMIIHAFXXUIPL-LBPRGKRZSA-N 0 0 345.321 2.524 10 5 EFBERN COC(=O)CC1(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000530613189 317154712 /nfs/dbraw/zinc/15/47/12/317154712.db2.gz NAMADRQAMHNWNU-UHFFFAOYSA-N 0 0 340.401 2.961 10 5 EFBERN COC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000530727046 317171867 /nfs/dbraw/zinc/17/18/67/317171867.db2.gz BYYQTDKTLDVHJZ-MRXNPFEDSA-N 0 0 347.346 2.921 10 5 EFBERN CNc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000530847943 317186243 /nfs/dbraw/zinc/18/62/43/317186243.db2.gz NJWLSEAWYAOFMZ-UHFFFAOYSA-N 0 0 335.310 2.887 10 5 EFBERN CNc1ccc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000530985247 317205171 /nfs/dbraw/zinc/20/51/71/317205171.db2.gz NWQWVJAZIWWDQG-OAHLLOKOSA-N 0 0 345.403 2.887 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@H]2CCCC[C@@H]2C1 ZINC000531169919 317229977 /nfs/dbraw/zinc/22/99/77/317229977.db2.gz QGZROXZBUNHFPC-VXGBXAGGSA-N 0 0 332.356 2.628 10 5 EFBERN CNc1ccc(C(=O)N2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000531326586 317251300 /nfs/dbraw/zinc/25/13/00/317251300.db2.gz MBWVMUBWUWZSOV-KRWDZBQOSA-N 0 0 333.388 2.669 10 5 EFBERN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531633861 317293978 /nfs/dbraw/zinc/29/39/78/317293978.db2.gz IFNIYCZJGFALFP-UHFFFAOYSA-N 0 0 341.245 2.818 10 5 EFBERN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531633313 317294069 /nfs/dbraw/zinc/29/40/69/317294069.db2.gz BUSJUHSQDZLERS-UHFFFAOYSA-N 0 0 326.312 2.591 10 5 EFBERN CN(CCOc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633599 317294126 /nfs/dbraw/zinc/29/41/26/317294126.db2.gz GLYOOBGVROOABH-UHFFFAOYSA-N 0 0 335.747 2.794 10 5 EFBERN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531878134 317325945 /nfs/dbraw/zinc/32/59/45/317325945.db2.gz GWADAOISORPTGP-UHFFFAOYSA-N 0 0 342.355 2.770 10 5 EFBERN COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1OC ZINC000531883794 317327516 /nfs/dbraw/zinc/32/75/16/317327516.db2.gz DBPPGACGKFTGTO-UHFFFAOYSA-N 0 0 342.311 2.648 10 5 EFBERN O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc([N+](=O)[O-])cn1 ZINC000531884737 317327829 /nfs/dbraw/zinc/32/78/29/317327829.db2.gz IZSBNCZJBCIZFI-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000531889317 317328878 /nfs/dbraw/zinc/32/88/78/317328878.db2.gz OQTJWRARCMKWCM-CABCVRRESA-N 0 0 333.388 2.848 10 5 EFBERN CN(CCCOc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532137367 317360327 /nfs/dbraw/zinc/36/03/27/317360327.db2.gz MDVYNVAEOGARFG-UHFFFAOYSA-N 0 0 333.319 2.670 10 5 EFBERN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cn1 ZINC000532272023 317377980 /nfs/dbraw/zinc/37/79/80/317377980.db2.gz LMTJBJIVYKONEY-UHFFFAOYSA-N 0 0 343.730 2.503 10 5 EFBERN COC(=O)c1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc2o1 ZINC000532388054 317393743 /nfs/dbraw/zinc/39/37/43/317393743.db2.gz UZXKVOCIHQOMMU-UHFFFAOYSA-N 0 0 341.279 2.775 10 5 EFBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1nc2ccccc2[nH]1 ZINC000532388505 317394253 /nfs/dbraw/zinc/39/42/53/317394253.db2.gz RKXFGSXXUXSKID-OAHLLOKOSA-N 0 0 339.355 2.993 10 5 EFBERN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532388417 317394332 /nfs/dbraw/zinc/39/43/32/317394332.db2.gz OXZFZUMQULMPDN-UHFFFAOYSA-N 0 0 340.339 2.759 10 5 EFBERN CC(C)COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000532390896 317394483 /nfs/dbraw/zinc/39/44/83/317394483.db2.gz PIXHSGKFCFBYMF-CQSZACIVSA-N 0 0 333.344 2.727 10 5 EFBERN Cc1ccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532392268 317395279 /nfs/dbraw/zinc/39/52/79/317395279.db2.gz XVFJVAAWWBNSIY-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN 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CO[C@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000569718375 319407991 /nfs/dbraw/zinc/40/79/91/319407991.db2.gz LQWZZROAHDLXBL-DTORHVGOSA-N 0 0 332.278 2.863 10 5 EFBERN CC1(C)CN(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000570104519 319444859 /nfs/dbraw/zinc/44/48/59/319444859.db2.gz MKRMPZNJQNWJFX-UHFFFAOYSA-N 0 0 345.321 2.572 10 5 EFBERN COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cn3)n2)c(F)c1 ZINC000570153176 319448758 /nfs/dbraw/zinc/44/87/58/319448758.db2.gz YMWQGJXHEKJHDW-UHFFFAOYSA-N 0 0 330.275 2.778 10 5 EFBERN Cc1sc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)cc1[N+](=O)[O-] ZINC000570287428 319462552 /nfs/dbraw/zinc/46/25/52/319462552.db2.gz VJIAYIFFRARTEG-RTHLEPHNSA-N 0 0 338.360 2.956 10 5 EFBERN COCC1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCOCC1 ZINC000570393170 319472524 /nfs/dbraw/zinc/47/25/24/319472524.db2.gz QHVLBXYFXINTJE-UHFFFAOYSA-N 0 0 335.404 2.724 10 5 EFBERN CC(C)N1C(=O)CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000570744395 319508696 /nfs/dbraw/zinc/50/86/96/319508696.db2.gz GWLMFPVRCAFEOH-ZDUSSCGKSA-N 0 0 347.415 2.556 10 5 EFBERN Cc1ccnc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)c1 ZINC000571894776 319617274 /nfs/dbraw/zinc/61/72/74/319617274.db2.gz MSNDIHGDTOSXFU-ZDUSSCGKSA-N 0 0 326.356 2.631 10 5 EFBERN CCc1ccc(S(=O)(=O)NCCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000572635850 319690370 /nfs/dbraw/zinc/69/03/70/319690370.db2.gz IZFCPOGGILQTPW-UHFFFAOYSA-N 0 0 336.360 2.871 10 5 EFBERN CC(C)(C)N1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1=O ZINC000573202076 319743318 /nfs/dbraw/zinc/74/33/18/319743318.db2.gz LLKOLLJNULJLEG-CQSZACIVSA-N 0 0 328.372 2.954 10 5 EFBERN CCOC(=O)C1CCC(CC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000573446079 319767078 /nfs/dbraw/zinc/76/70/78/319767078.db2.gz MNNXTMSLAKIJMZ-UHFFFAOYSA-N 0 0 349.387 2.996 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000573972605 319817120 /nfs/dbraw/zinc/81/71/20/319817120.db2.gz BXHIFMJZDKKPRG-IUODEOHRSA-N 0 0 337.420 2.942 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)n1 ZINC000574326206 319852128 /nfs/dbraw/zinc/85/21/28/319852128.db2.gz JRKFMJNBLIDRFN-QGZVFWFLSA-N 0 0 346.362 2.705 10 5 EFBERN CC(C)[C@@H]1C[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574378404 319856272 /nfs/dbraw/zinc/85/62/72/319856272.db2.gz QSHVKLARRMWNBS-XJKSGUPXSA-N 0 0 330.388 2.962 10 5 EFBERN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1c(F)cccc1F ZINC000574825224 319898533 /nfs/dbraw/zinc/89/85/33/319898533.db2.gz DFUYBGVJMSJYFJ-UHFFFAOYSA-N 0 0 347.321 2.870 10 5 EFBERN CC(C)(C)Oc1cc(N2CCO[C@H](C(=O)C3CC3)C2)ccc1[N+](=O)[O-] ZINC000574973623 319913003 /nfs/dbraw/zinc/91/30/03/319913003.db2.gz FXJGJRKKEXDPLG-INIZCTEOSA-N 0 0 348.399 2.956 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000574990668 319915051 /nfs/dbraw/zinc/91/50/51/319915051.db2.gz GVKZTEHNZPRGAM-HUBLWGQQSA-N 0 0 336.388 2.792 10 5 EFBERN C[C@@H](C(=O)N[C@@H]1COc2ccc(F)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000575034924 319918333 /nfs/dbraw/zinc/91/83/33/319918333.db2.gz INQXXVJMBYXFEP-ABAIWWIYSA-N 0 0 344.342 2.957 10 5 EFBERN CC(C)OCc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1O ZINC000575909158 319964602 /nfs/dbraw/zinc/96/46/02/319964602.db2.gz FUSMDDUUWAYFNG-UHFFFAOYSA-N 0 0 331.328 2.873 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000577178715 320084922 /nfs/dbraw/zinc/08/49/22/320084922.db2.gz NGUJCOFRDWRPFC-BXUZGUMPSA-N 0 0 336.388 2.540 10 5 EFBERN Cc1ccsc1[C@@H](CO)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577333691 320099222 /nfs/dbraw/zinc/09/92/22/320099222.db2.gz VCVLYIPKPONOGT-SMDDNHRTSA-N 0 0 334.397 2.918 10 5 EFBERN CN(C)S(=O)(=O)c1ccc(N[C@@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC000577339345 320099967 /nfs/dbraw/zinc/09/99/67/320099967.db2.gz OEZVWVVNFRBRQL-CQSZACIVSA-N 0 0 339.417 2.590 10 5 EFBERN O=C([C@@H]1CCc2ccccc2C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000577379194 320105276 /nfs/dbraw/zinc/10/52/76/320105276.db2.gz KLIMAYQAUDDVAP-OAHLLOKOSA-N 0 0 337.379 2.680 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000577879654 320154243 /nfs/dbraw/zinc/15/42/43/320154243.db2.gz JZHNOAMPKJRKEW-SMDDNHRTSA-N 0 0 326.418 2.600 10 5 EFBERN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CC2)c2ccccc21 ZINC000182183928 323267296 /nfs/dbraw/zinc/26/72/96/323267296.db2.gz HXJKUDNLOMIPCW-CQSZACIVSA-N 0 0 340.379 2.886 10 5 EFBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CC2)c2ccccc21 ZINC000182183909 323267542 /nfs/dbraw/zinc/26/75/42/323267542.db2.gz HXJKUDNLOMIPCW-AWEZNQCLSA-N 0 0 340.379 2.886 10 5 EFBERN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000182467459 323284380 /nfs/dbraw/zinc/28/43/80/323284380.db2.gz IQBQZTNSYAJAIU-SNVBAGLBSA-N 0 0 343.314 2.823 10 5 EFBERN Cc1nn(C)c(C)c1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182640888 323292952 /nfs/dbraw/zinc/29/29/52/323292952.db2.gz NQRVDZYSXNIFNT-JTQLQIEISA-N 0 0 348.378 2.547 10 5 EFBERN CCOc1cccc(NCCNC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000183140579 323318978 /nfs/dbraw/zinc/31/89/78/323318978.db2.gz MAKLRGQZUYRWCO-UHFFFAOYSA-N 0 0 329.356 2.835 10 5 EFBERN Cn1c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000184005226 323353046 /nfs/dbraw/zinc/35/30/46/323353046.db2.gz BPCNWPFFBSVFCM-UHFFFAOYSA-N 0 0 349.778 2.574 10 5 EFBERN Cc1csc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000184201302 323358953 /nfs/dbraw/zinc/35/89/53/323358953.db2.gz NGKCKJIFCATZTR-NSHDSACASA-N 0 0 334.401 2.957 10 5 EFBERN Cn1nnc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc21 ZINC000184762947 323374108 /nfs/dbraw/zinc/37/41/08/323374108.db2.gz MGUKWZRXQMCHBX-UHFFFAOYSA-N 0 0 348.322 2.677 10 5 EFBERN COc1ccc(C(=O)Nc2ncn(C3CCCCC3)n2)cc1[N+](=O)[O-] ZINC000184910443 323377431 /nfs/dbraw/zinc/37/74/31/323377431.db2.gz MVMQAZPKYMHHRL-UHFFFAOYSA-N 0 0 345.359 2.952 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000187401702 323421588 /nfs/dbraw/zinc/42/15/88/323421588.db2.gz IXEBLZZRVFNDQP-ZDUSSCGKSA-N 0 0 336.388 2.746 10 5 EFBERN Cc1cc(NC(=O)NC2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000193649019 323493193 /nfs/dbraw/zinc/49/31/93/323493193.db2.gz SDCHBSMOOQKUAE-UHFFFAOYSA-N 0 0 348.403 2.672 10 5 EFBERN CC(C)Cc1nsc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000302322879 323718403 /nfs/dbraw/zinc/71/84/03/323718403.db2.gz XCLDIYYXLNALBR-LLVKDONJSA-N 0 0 348.432 2.731 10 5 EFBERN CCn1nccc1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579758508 324025169 /nfs/dbraw/zinc/02/51/69/324025169.db2.gz GKPNWQFZMVDOAP-UHFFFAOYSA-N 0 0 342.359 2.657 10 5 EFBERN CCOc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)ncn1 ZINC000579756461 324025211 /nfs/dbraw/zinc/02/52/11/324025211.db2.gz QLHVXWMZLXGVTK-UHFFFAOYSA-N 0 0 327.344 2.919 10 5 EFBERN O=C([O-])c1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000580717530 324220152 /nfs/dbraw/zinc/22/01/52/324220152.db2.gz YPCWWHCEVMBDNB-AWEZNQCLSA-N 0 0 333.388 2.748 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)OC ZINC000580717273 324220171 /nfs/dbraw/zinc/22/01/71/324220171.db2.gz WAOLNALONMPMIF-BMIGLBTASA-N 0 0 347.371 2.784 10 5 EFBERN CCC1(CC)CN(c2cccc(C)c2[N+](=O)[O-])CCS1(=O)=O ZINC000580948601 324273131 /nfs/dbraw/zinc/27/31/31/324273131.db2.gz VWZRQIJRDHHTPX-UHFFFAOYSA-N 0 0 326.418 2.697 10 5 EFBERN Cc1ccnc([C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)c1 ZINC000582251281 324555113 /nfs/dbraw/zinc/55/51/13/324555113.db2.gz PVKXBACLDREJBA-GFCCVEGCSA-N 0 0 326.356 2.510 10 5 EFBERN C[C@@]1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCOC1 ZINC000583288433 324779448 /nfs/dbraw/zinc/77/94/48/324779448.db2.gz YQQLQYOHXJIVBG-QGZVFWFLSA-N 0 0 331.372 2.552 10 5 EFBERN CO[C@H](CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000583297251 324780399 /nfs/dbraw/zinc/78/03/99/324780399.db2.gz GPTKOKRRASZQFK-JOYOIKCWSA-N 0 0 334.294 2.782 10 5 EFBERN CCC[C@H](C)[C@H](CO)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000583758625 324866992 /nfs/dbraw/zinc/86/69/92/324866992.db2.gz QDTSXUJUUKONGZ-JQWIXIFHSA-N 0 0 326.418 2.844 10 5 EFBERN CO[C@H](C)c1noc(CN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC000583809333 324875699 /nfs/dbraw/zinc/87/56/99/324875699.db2.gz MNCKIOCBKLPPBO-SNVBAGLBSA-N 0 0 347.375 2.595 10 5 EFBERN CC(C)(C)n1cnc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000541507891 448677356 /nfs/dbraw/zinc/67/73/56/448677356.db2.gz JLOGPCUEGDOIJB-UHFFFAOYSA-N 0 0 344.375 2.532 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCN3CCCc4ccccc43)nn21 ZINC000611240128 449233477 /nfs/dbraw/zinc/23/34/77/449233477.db2.gz QINKXTIIZIBNMW-UHFFFAOYSA-N 0 0 338.371 2.502 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1ccn(CC(F)F)n1 ZINC000601125970 449704964 /nfs/dbraw/zinc/70/49/64/449704964.db2.gz TUCICSVZBGKEGF-UHFFFAOYSA-N 0 0 340.212 2.552 10 5 EFBERN Cc1ccn2c(c1)nnc2NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000088253759 462620123 /nfs/dbraw/zinc/62/01/23/462620123.db2.gz HYEWCDFCDBGVHI-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000064661494 462716442 /nfs/dbraw/zinc/71/64/42/462716442.db2.gz KHOKCKHUMUZJHZ-UHFFFAOYSA-N 0 0 347.331 2.916 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000111358621 473209928 /nfs/dbraw/zinc/20/99/28/473209928.db2.gz GTXPUOYLZBCVKU-CZUORRHYSA-N 0 0 332.381 2.677 10 5 EFBERN CCn1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)cn1 ZINC000124158077 473215732 /nfs/dbraw/zinc/21/57/32/473215732.db2.gz WONBQAHPFUNIBB-UHFFFAOYSA-N 0 0 343.387 2.534 10 5 EFBERN CCOC[C@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000138277868 473217122 /nfs/dbraw/zinc/21/71/22/473217122.db2.gz QNWOBUFAWRYFRP-KBPBESRZSA-N 0 0 349.431 2.986 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161265612 473222074 /nfs/dbraw/zinc/22/20/74/473222074.db2.gz XMAWROROTGTIOZ-AWEZNQCLSA-N 0 0 348.380 2.879 10 5 EFBERN O=[N+]([O-])c1ccc(Sc2ccc(N(CCO)CCO)cc2)cc1 ZINC000139040176 473226443 /nfs/dbraw/zinc/22/64/43/473226443.db2.gz DGKYJKBTKXACDT-UHFFFAOYSA-N 0 0 334.397 2.537 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000095954278 473229414 /nfs/dbraw/zinc/22/94/14/473229414.db2.gz RHJFYIZNTYTXSR-JKSUJKDBSA-N 0 0 329.356 2.860 10 5 EFBERN NC(=O)c1ccc(CN2CC[C@@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000081626755 473233905 /nfs/dbraw/zinc/23/39/05/473233905.db2.gz TXHSHCIBYRCRCG-OAHLLOKOSA-N 0 0 329.331 2.780 10 5 EFBERN Cc1nc(Nc2cccc(N3C(=O)NC[C@H]3C)c2)ccc1[N+](=O)[O-] ZINC000095966038 473232515 /nfs/dbraw/zinc/23/25/15/473232515.db2.gz WMXLGILJZNOFID-SNVBAGLBSA-N 0 0 327.344 2.960 10 5 EFBERN CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000095972778 473235987 /nfs/dbraw/zinc/23/59/87/473235987.db2.gz TZUFONNTJJDBDB-QGZVFWFLSA-N 0 0 326.352 2.867 10 5 EFBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111936470 473237296 /nfs/dbraw/zinc/23/72/96/473237296.db2.gz YQXZWYAJBFZLHD-BZNIZROVSA-N 0 0 339.351 2.583 10 5 EFBERN CCC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000161470832 473237920 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O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000028695029 472233186 /nfs/dbraw/zinc/23/31/86/472233186.db2.gz GFOILTWFLZRYKT-UHFFFAOYSA-N 0 0 342.380 2.831 10 5 EFBERN Cc1ccccc1CC1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000085478329 472254067 /nfs/dbraw/zinc/25/40/67/472254067.db2.gz HWICCCHVZDWRKN-UHFFFAOYSA-N 0 0 325.368 2.800 10 5 EFBERN Cc1ccccc1CC1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000085479576 472254456 /nfs/dbraw/zinc/25/44/56/472254456.db2.gz LIFRIJNSJPFGFR-UHFFFAOYSA-N 0 0 342.399 2.536 10 5 EFBERN Cc1ccc(OCCN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000029152077 472254666 /nfs/dbraw/zinc/25/46/66/472254666.db2.gz DEGNGYUQJQITJD-UHFFFAOYSA-N 0 0 343.383 2.853 10 5 EFBERN CCc1nsc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000076062530 472257565 /nfs/dbraw/zinc/25/75/65/472257565.db2.gz UQNRJJGMDFYBFZ-LBPRGKRZSA-N 0 0 347.444 2.892 10 5 EFBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000055972152 472265962 /nfs/dbraw/zinc/26/59/62/472265962.db2.gz MOWHAWAQXAXXIQ-QMMMGPOBSA-N 0 0 330.362 2.835 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCc1cccc(F)c1 ZINC000068938996 472268527 /nfs/dbraw/zinc/26/85/27/472268527.db2.gz FUVKPKJUGLTGLN-UHFFFAOYSA-N 0 0 338.360 2.645 10 5 EFBERN Cn1nc(C(=O)NCc2ccco2)cc1Oc1ccccc1[N+](=O)[O-] ZINC000086012737 472272462 /nfs/dbraw/zinc/27/24/62/472272462.db2.gz OVUAQPVFIGKSJT-UHFFFAOYSA-N 0 0 342.311 2.644 10 5 EFBERN COc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1OC(F)F ZINC000029623801 472285934 /nfs/dbraw/zinc/28/59/34/472285934.db2.gz NLLVXKFIGRPXGS-UHFFFAOYSA-N 0 0 328.275 2.550 10 5 EFBERN Cc1sc(C(=O)NC[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000086530006 472288531 /nfs/dbraw/zinc/28/85/31/472288531.db2.gz BOPDVWQUKVFXIG-ZDUSSCGKSA-N 0 0 334.397 2.861 10 5 EFBERN COCCOc1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000076157751 472288764 /nfs/dbraw/zinc/28/87/64/472288764.db2.gz UDKLMSCFWMGMMN-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN CN(CCc1ccc(F)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000056228120 472296164 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O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1nc2ccccc2o1 ZINC000069491480 472355850 /nfs/dbraw/zinc/35/58/50/472355850.db2.gz SNLDVWAHVXPJMJ-UHFFFAOYSA-N 0 0 338.279 2.601 10 5 EFBERN CCNC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000069528597 472364427 /nfs/dbraw/zinc/36/44/27/472364427.db2.gz RMIRAVMPGYJVTD-UHFFFAOYSA-N 0 0 349.431 2.730 10 5 EFBERN COc1ccc(-n2cc(CNc3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC000088740604 472381974 /nfs/dbraw/zinc/38/19/74/472381974.db2.gz YHHVMOXMRJQYQH-UHFFFAOYSA-N 0 0 325.328 2.796 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nnc3ccccn32)CC1 ZINC000076664724 472382939 /nfs/dbraw/zinc/38/29/39/472382939.db2.gz GWJQWEXLHBKTJC-UHFFFAOYSA-N 0 0 338.371 2.725 10 5 EFBERN O=c1ccccn1Cc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000057140981 472384737 /nfs/dbraw/zinc/38/47/37/472384737.db2.gz MCAFFWFESGZQIM-UHFFFAOYSA-N 0 0 336.351 2.812 10 5 EFBERN Cc1ccc2c(c1)nc(CCNC(=O)c1ccc([N+](=O)[O-])cc1)n2C ZINC000069629220 472385698 /nfs/dbraw/zinc/38/56/98/472385698.db2.gz GSOPBXSVILWZHM-UHFFFAOYSA-N 0 0 338.367 2.762 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000076710155 472388739 /nfs/dbraw/zinc/38/87/39/472388739.db2.gz FLMXRCOSQRPQBS-GJZGRUSLSA-N 0 0 344.371 2.788 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c(F)c1 ZINC000116354820 472394337 /nfs/dbraw/zinc/39/43/37/472394337.db2.gz CIICIAKTQDDAEY-GFCCVEGCSA-N 0 0 340.332 2.853 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000116354139 472394621 /nfs/dbraw/zinc/39/46/21/472394621.db2.gz CDSHCDYKLFTLBM-LLVKDONJSA-N 0 0 340.332 2.853 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)c(F)c1 ZINC000116354816 472394848 /nfs/dbraw/zinc/39/48/48/472394848.db2.gz CIICIAKTQDDAEY-LBPRGKRZSA-N 0 0 340.332 2.853 10 5 EFBERN CCn1nc(C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000154177929 472397887 /nfs/dbraw/zinc/39/78/87/472397887.db2.gz LXJYGKROSFGICK-UHFFFAOYSA-N 0 0 340.286 2.973 10 5 EFBERN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000154282404 472410446 /nfs/dbraw/zinc/41/04/46/472410446.db2.gz OVIKMBWXELGQCL-HNNXBMFYSA-N 0 0 343.387 2.624 10 5 EFBERN CCCn1ccnc1-c1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000097031986 472412507 /nfs/dbraw/zinc/41/25/07/472412507.db2.gz AVXHQEMFLDQGDC-UHFFFAOYSA-N 0 0 340.343 2.844 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000069738240 472412854 /nfs/dbraw/zinc/41/28/54/472412854.db2.gz HIHKLMVSADXLTP-ZDUSSCGKSA-N 0 0 346.387 2.892 10 5 EFBERN CCN(Cc1ccc(OC)cc1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000045495467 472415417 /nfs/dbraw/zinc/41/54/17/472415417.db2.gz SGBDGXAIXYEGEL-UHFFFAOYSA-N 0 0 329.356 2.969 10 5 EFBERN CS(=O)(=O)c1ccc(CCNc2sccc2[N+](=O)[O-])cc1 ZINC000097033916 472416581 /nfs/dbraw/zinc/41/65/81/472416581.db2.gz BUYVWAKYCPTRJK-UHFFFAOYSA-N 0 0 326.399 2.714 10 5 EFBERN Cc1nnc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)[nH]1 ZINC000069744592 472417738 /nfs/dbraw/zinc/41/77/38/472417738.db2.gz GJCYOLLGZVFUIE-CYBMUJFWSA-N 0 0 343.368 2.602 10 5 EFBERN C[C@H](OCCCNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000128219172 472419864 /nfs/dbraw/zinc/41/98/64/472419864.db2.gz HPFKLJZJQNDHCG-LBPRGKRZSA-N 0 0 344.371 2.669 10 5 EFBERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000128224968 472420925 /nfs/dbraw/zinc/42/09/25/472420925.db2.gz VCOBCNMPUTUCOO-CYBMUJFWSA-N 0 0 332.381 2.895 10 5 EFBERN CN(C(=O)c1ccc(-n2cncn2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000089365326 472421402 /nfs/dbraw/zinc/42/14/02/472421402.db2.gz AQFMOTDIPLLRBX-UHFFFAOYSA-N 0 0 341.302 2.591 10 5 EFBERN CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000032361026 472426005 /nfs/dbraw/zinc/42/60/05/472426005.db2.gz NLSMTXCXWDMYLA-UHFFFAOYSA-N 0 0 333.369 2.853 10 5 EFBERN CN(C(=O)c1csc(-c2ncccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000128279141 472429171 /nfs/dbraw/zinc/42/91/71/472429171.db2.gz ULBYFPXXTKOYEU-UHFFFAOYSA-N 0 0 341.352 2.785 10 5 EFBERN CN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000076967381 472435522 /nfs/dbraw/zinc/43/55/22/472435522.db2.gz SCAQSGDHEAQVNB-OAHLLOKOSA-N 0 0 347.415 2.836 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080927 472435599 /nfs/dbraw/zinc/43/55/99/472435599.db2.gz CVNJRWUYKCGYKA-UHFFFAOYSA-N 0 0 347.400 2.989 10 5 EFBERN Cn1cc(CCCNC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000097084146 472439432 /nfs/dbraw/zinc/43/94/32/472439432.db2.gz QMDVACKQACKQHJ-UHFFFAOYSA-N 0 0 337.767 2.736 10 5 EFBERN Cc1cc(NC(=O)NCc2ccc(F)c(CO)c2)ccc1[N+](=O)[O-] ZINC000097096010 472443183 /nfs/dbraw/zinc/44/31/83/472443183.db2.gz LWTGXZCKSOEHEM-UHFFFAOYSA-N 0 0 333.319 2.856 10 5 EFBERN COc1cccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000128421456 472447982 /nfs/dbraw/zinc/44/79/82/472447982.db2.gz HYPHRKAWOQJBGB-UHFFFAOYSA-N 0 0 344.371 2.507 10 5 EFBERN Cc1cc(NCCc2cncn2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000097108367 472449658 /nfs/dbraw/zinc/44/96/58/472449658.db2.gz PJUGYUMSTQQDQF-UHFFFAOYSA-N 0 0 338.371 2.748 10 5 EFBERN Cc1nc(C(=O)Nc2n[nH]c(-c3cccc(C)c3[N+](=O)[O-])n2)cs1 ZINC000069848433 472451813 /nfs/dbraw/zinc/45/18/13/472451813.db2.gz MBBICQNJRHIKFU-UHFFFAOYSA-N 0 0 344.356 2.706 10 5 EFBERN CSc1ccc(C(=O)NCc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000032685620 472454830 /nfs/dbraw/zinc/45/48/30/472454830.db2.gz PPIXDBXYDNEGHM-UHFFFAOYSA-N 0 0 346.412 2.708 10 5 EFBERN COCc1csc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000089587372 472462172 /nfs/dbraw/zinc/46/21/72/472462172.db2.gz OKUHOTRGCQUNGZ-UHFFFAOYSA-N 0 0 325.321 2.898 10 5 EFBERN COc1cc(N2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000089602005 472468051 /nfs/dbraw/zinc/46/80/51/472468051.db2.gz TVUUAXZALYGQKA-KRWDZBQOSA-N 0 0 330.340 2.887 10 5 EFBERN Cc1nnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)C)[nH]1 ZINC000097162511 472469267 /nfs/dbraw/zinc/46/92/67/472469267.db2.gz FVMCKUBHKNWIPB-LBPRGKRZSA-N 0 0 337.767 2.802 10 5 EFBERN NC(=O)CN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000097166109 472470836 /nfs/dbraw/zinc/47/08/36/472470836.db2.gz QILUIERYFWYGGH-UHFFFAOYSA-N 0 0 337.685 2.721 10 5 EFBERN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000069970547 472476227 /nfs/dbraw/zinc/47/62/27/472476227.db2.gz JNSNBDCBIMJTNH-OAHLLOKOSA-N 0 0 339.351 2.520 10 5 EFBERN O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000032902291 472478739 /nfs/dbraw/zinc/47/87/39/472478739.db2.gz RHZXSTCFDQZLRP-UHFFFAOYSA-N 0 0 330.731 2.826 10 5 EFBERN NC(=O)c1[nH]nc2ccc(Nc3ccc([N+](=O)[O-])c4cnccc34)cc21 ZINC000089651922 472479545 /nfs/dbraw/zinc/47/95/45/472479545.db2.gz HPUJGYZOEVFYPW-UHFFFAOYSA-N 0 0 348.322 2.862 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154872245 472480796 /nfs/dbraw/zinc/48/07/96/472480796.db2.gz KENQOBVRCPAZRS-LLVKDONJSA-N 0 0 345.355 2.605 10 5 EFBERN O=C1NCCCC[C@@H]1Oc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000057839149 472481881 /nfs/dbraw/zinc/48/18/81/472481881.db2.gz MFBGOUZUSKZRQM-HNNXBMFYSA-N 0 0 343.339 2.830 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000045997597 472494826 /nfs/dbraw/zinc/49/48/26/472494826.db2.gz VMSGVZLRKGEDIA-CYBMUJFWSA-N 0 0 326.308 2.935 10 5 EFBERN COc1ccc(CNC(=O)CNc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000155031801 472499778 /nfs/dbraw/zinc/49/97/78/472499778.db2.gz NUPHWNYCFJAKTC-UHFFFAOYSA-N 0 0 343.383 2.949 10 5 EFBERN CSCCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000128863508 472504239 /nfs/dbraw/zinc/50/42/39/472504239.db2.gz GGXOYMVRHFITSJ-UHFFFAOYSA-N 0 0 332.447 2.633 10 5 EFBERN O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc([N+](=O)[O-])cn1 ZINC000089792806 472508365 /nfs/dbraw/zinc/50/83/65/472508365.db2.gz VDIAQFGJMPJCGP-UHFFFAOYSA-N 0 0 337.295 2.824 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000089804583 472511054 /nfs/dbraw/zinc/51/10/54/472511054.db2.gz UAJIACQHMKYSNB-SECBINFHSA-N 0 0 328.752 2.710 10 5 EFBERN COc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000128918887 472511152 /nfs/dbraw/zinc/51/11/52/472511152.db2.gz YXPKVEBBROXGDZ-UHFFFAOYSA-N 0 0 336.735 2.974 10 5 EFBERN Cc1c2ccccc2[nH]c(=O)c1-n1cc(Br)c([N+](=O)[O-])n1 ZINC000058172685 472513374 /nfs/dbraw/zinc/51/33/74/472513374.db2.gz QUIYPTUOJUNAFS-UHFFFAOYSA-N 0 0 349.144 2.693 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000118954010 472515219 /nfs/dbraw/zinc/51/52/19/472515219.db2.gz POIVYFPPPZSUFZ-LLVKDONJSA-N 0 0 327.340 2.690 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000058198045 472517012 /nfs/dbraw/zinc/51/70/12/472517012.db2.gz DAJZLCYSJTVSHL-QWHCGFSZSA-N 0 0 336.413 2.722 10 5 EFBERN Cc1nn(C)c(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000098100126 472517966 /nfs/dbraw/zinc/51/79/66/472517966.db2.gz QHJDMVKRKIEJQW-AWEZNQCLSA-N 0 0 346.362 2.623 10 5 EFBERN CCOC(=O)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000089880437 472531871 /nfs/dbraw/zinc/53/18/71/472531871.db2.gz USSAUBHDOYSHPP-VIFPVBQESA-N 0 0 328.752 2.710 10 5 EFBERN CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000155347972 472535115 /nfs/dbraw/zinc/53/51/15/472535115.db2.gz QWAKQSCQWYHQOR-UHFFFAOYSA-N 0 0 328.294 2.979 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2ncon2)c1 ZINC000101526411 472535266 /nfs/dbraw/zinc/53/52/66/472535266.db2.gz MJXMCQGMYNLCFF-UHFFFAOYSA-N 0 0 340.295 2.662 10 5 EFBERN COCCOc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000046367284 472549584 /nfs/dbraw/zinc/54/95/84/472549584.db2.gz PDEPOTOFPKOVPC-UHFFFAOYSA-N 0 0 330.340 2.550 10 5 EFBERN Cc1nn(C)c(C)c1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000071799852 472568599 /nfs/dbraw/zinc/56/85/99/472568599.db2.gz QWFDIMYFGCAXQL-NSHDSACASA-N 0 0 342.399 2.856 10 5 EFBERN Cc1sc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000102293744 472570168 /nfs/dbraw/zinc/57/01/68/472570168.db2.gz JACVTYQVUWFNHJ-UHFFFAOYSA-N 0 0 333.325 2.662 10 5 EFBERN Cc1nc([N+](=O)[O-])c(Br)n1CCCCCn1cccn1 ZINC000071803665 472570143 /nfs/dbraw/zinc/57/01/43/472570143.db2.gz WPSPGBRTDGDWDW-UHFFFAOYSA-N 0 0 342.197 2.929 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000155592388 472576168 /nfs/dbraw/zinc/57/61/68/472576168.db2.gz WBLREBQIWVDABO-MEBBXXQBSA-N 0 0 347.396 2.962 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CCO)c1ccccc1 ZINC000077658303 472577135 /nfs/dbraw/zinc/57/71/35/472577135.db2.gz CVQTYBXXHLNHCJ-CQSZACIVSA-N 0 0 345.355 2.849 10 5 EFBERN CCOc1ncccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130010423 472578062 /nfs/dbraw/zinc/57/80/62/472578062.db2.gz SJAPGVRSKQNZFU-UHFFFAOYSA-N 0 0 340.339 2.800 10 5 EFBERN COc1cc(OC)c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000046691983 472585117 /nfs/dbraw/zinc/58/51/17/472585117.db2.gz TYXBQUMFQBPWAP-UHFFFAOYSA-N 0 0 346.339 2.551 10 5 EFBERN CC(C)(C)C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000130191937 472589347 /nfs/dbraw/zinc/58/93/47/472589347.db2.gz GDODPGQHSIIBNK-HNNXBMFYSA-N 0 0 347.415 2.752 10 5 EFBERN Cc1cccc(NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000102715296 472589531 /nfs/dbraw/zinc/58/95/31/472589531.db2.gz PQUGJKDCSFJEMF-UHFFFAOYSA-N 0 0 337.339 2.800 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000071867506 472590420 /nfs/dbraw/zinc/59/04/20/472590420.db2.gz PCOCOTGFEGSJLR-UHFFFAOYSA-N 0 0 329.360 2.758 10 5 EFBERN CCOCCOc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000130253381 472593521 /nfs/dbraw/zinc/59/35/21/472593521.db2.gz PUJLSKXHUQYJKP-UHFFFAOYSA-N 0 0 344.367 2.940 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000058744488 472597354 /nfs/dbraw/zinc/59/73/54/472597354.db2.gz GREFUHHQNRCCNK-GJZGRUSLSA-N 0 0 336.413 2.722 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000090139682 472599837 /nfs/dbraw/zinc/59/98/37/472599837.db2.gz GNHJTLMDPVGGOL-UKRRQHHQSA-N 0 0 329.400 2.883 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCN(c3ncccc3F)CC2)c(Cl)c1 ZINC000090144132 472600943 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EFBERN O=c1ccc([N+](=O)[O-])cn1CCN1CC=C(c2ccccc2F)CC1 ZINC000127803707 473652166 /nfs/dbraw/zinc/65/21/66/473652166.db2.gz XEKFTJKHEWJFBF-UHFFFAOYSA-N 0 0 343.358 2.685 10 5 EFBERN CCc1n[nH]c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1[N+](=O)[O-] ZINC000186432017 473673286 /nfs/dbraw/zinc/67/32/86/473673286.db2.gz NMQULPZISQHBND-UHFFFAOYSA-N 0 0 326.356 2.568 10 5 EFBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC2(COC2)C1 ZINC000620289498 480054038 /nfs/dbraw/zinc/05/40/38/480054038.db2.gz TUOJBPFMSAMOOQ-UHFFFAOYSA-N 0 0 334.375 2.544 10 5 EFBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000172727034 473676179 /nfs/dbraw/zinc/67/61/79/473676179.db2.gz DZJZNYZJWPIMDR-NSHDSACASA-N 0 0 328.324 2.743 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000172748067 473679309 /nfs/dbraw/zinc/67/93/09/473679309.db2.gz CITVWZBWOMFDEB-JTQLQIEISA-N 0 0 333.319 2.635 10 5 EFBERN COc1cccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000172828367 473689486 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CC(C)c1nnc2n1CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]2C ZINC000188703293 474171421 /nfs/dbraw/zinc/17/14/21/474171421.db2.gz FLYUIJKHHJHDAZ-SECBINFHSA-N 0 0 335.389 2.588 10 5 EFBERN CC(C)c1nnc2n1CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]2C ZINC000188711298 474173805 /nfs/dbraw/zinc/17/38/05/474173805.db2.gz SPBNSMAJDUDKEG-SECBINFHSA-N 0 0 335.389 2.588 10 5 EFBERN CC(C)c1nnc2n1CCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]2C ZINC000188737848 474180535 /nfs/dbraw/zinc/18/05/35/474180535.db2.gz IDEWZJYUJIIILU-SNVBAGLBSA-N 0 0 347.350 2.666 10 5 EFBERN CCc1ccc(C(=O)NC[C@H](O)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000175306955 474185747 /nfs/dbraw/zinc/18/57/47/474185747.db2.gz UXGMREJXCKOSJD-INIZCTEOSA-N 0 0 344.367 2.629 10 5 EFBERN CCc1ccc(C(=O)NCc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000175323815 474189442 /nfs/dbraw/zinc/18/94/42/474189442.db2.gz MYVKATVKWJYHGL-UHFFFAOYSA-N 0 0 332.331 2.719 10 5 EFBERN COc1ccc(CNC(=O)Cc2ccc(Cl)nc2C)cc1[N+](=O)[O-] ZINC000270631401 474197736 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ZINC000183682317 474411304 /nfs/dbraw/zinc/41/13/04/474411304.db2.gz QOAYMODDKVFFGY-UHFFFAOYSA-N 0 0 343.339 2.733 10 5 EFBERN Cc1c(C(=O)Nc2cc3c(cc2F)nc[nH]c3=O)cccc1[N+](=O)[O-] ZINC000183834648 474435375 /nfs/dbraw/zinc/43/53/75/474435375.db2.gz SZTWNGWRPDDORD-UHFFFAOYSA-N 0 0 342.286 2.531 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000266692340 474450463 /nfs/dbraw/zinc/45/04/63/474450463.db2.gz DVTPSNDLLJZZEX-KBPBESRZSA-N 0 0 335.404 2.731 10 5 EFBERN CCc1n[nH]c(C(=O)NCC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000283620500 474451655 /nfs/dbraw/zinc/45/16/55/474451655.db2.gz HCPOXEMZXUFURB-UHFFFAOYSA-N 0 0 328.372 2.804 10 5 EFBERN CC1(C)CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000189640440 474453596 /nfs/dbraw/zinc/45/35/96/474453596.db2.gz UJAMUQXMINKOSV-SNVBAGLBSA-N 0 0 344.314 2.884 10 5 EFBERN Cn1cc(-c2cc(CN3CCc4cc([N+](=O)[O-])ccc43)on2)cn1 ZINC000183985722 474454448 /nfs/dbraw/zinc/45/44/48/474454448.db2.gz UPYMXPNFEMBVEU-UHFFFAOYSA-N 0 0 325.328 2.546 10 5 EFBERN O=c1[nH]ccnc1N1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000276222369 474457498 /nfs/dbraw/zinc/45/74/98/474457498.db2.gz MCTQQSONEBNXBK-LLVKDONJSA-N 0 0 349.778 2.825 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000189664690 474460306 /nfs/dbraw/zinc/46/03/06/474460306.db2.gz WYFCQRAHCQXRBT-LBPRGKRZSA-N 0 0 344.371 2.678 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000189692863 474465138 /nfs/dbraw/zinc/46/51/38/474465138.db2.gz MKWPCCDQXKCIFU-NSHDSACASA-N 0 0 330.344 2.559 10 5 EFBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176413739 474466185 /nfs/dbraw/zinc/46/61/85/474466185.db2.gz SWQIFFXIAMKIBK-LRDDRELGSA-N 0 0 341.367 2.779 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1CCCC1 ZINC000289879621 474467813 /nfs/dbraw/zinc/46/78/13/474467813.db2.gz ALEVJUJUILDBQW-LLVKDONJSA-N 0 0 333.388 2.791 10 5 EFBERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000608966209 480106269 /nfs/dbraw/zinc/10/62/69/480106269.db2.gz HKRMHABLIJBYDH-LRDDRELGSA-N 0 0 329.356 2.536 10 5 EFBERN Nc1c(C(=O)N2CCC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000176450742 474478468 /nfs/dbraw/zinc/47/84/68/474478468.db2.gz CUHVHSBLUVHPTR-JTQLQIEISA-N 0 0 332.385 2.653 10 5 EFBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000608966210 480106719 /nfs/dbraw/zinc/10/67/19/480106719.db2.gz HKRMHABLIJBYDH-MLGOLLRUSA-N 0 0 329.356 2.536 10 5 EFBERN CCc1nn(C)c(N[C@H](C)Cc2ccc(OC)c(OC)c2)c1[N+](=O)[O-] ZINC000271299815 474482530 /nfs/dbraw/zinc/48/25/30/474482530.db2.gz QPNWNFAGDJMDGK-LLVKDONJSA-N 0 0 348.403 2.951 10 5 EFBERN COc1cc(CN2CC[C@H](Oc3cccnc3)C2)c([N+](=O)[O-])cc1F ZINC000184238906 474488799 /nfs/dbraw/zinc/48/87/99/474488799.db2.gz BZLVCMAHDKWXCL-AWEZNQCLSA-N 0 0 347.346 2.791 10 5 EFBERN CCC1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184235502 474490130 /nfs/dbraw/zinc/49/01/30/474490130.db2.gz CRJWZQMXOVRYBN-UHFFFAOYSA-N 0 0 326.418 2.983 10 5 EFBERN O=[N+]([O-])c1cnccc1N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000608974022 480107652 /nfs/dbraw/zinc/10/76/52/480107652.db2.gz UIMPNKNBGSABMI-HNNXBMFYSA-N 0 0 347.378 2.838 10 5 EFBERN Nc1c(C(=O)NCc2ncc(-c3ccccc3)cn2)cccc1[N+](=O)[O-] ZINC000184321123 474500528 /nfs/dbraw/zinc/50/05/28/474500528.db2.gz QOYMCUZBYYMSLG-UHFFFAOYSA-N 0 0 349.350 2.564 10 5 EFBERN CC[C@H](NC(=O)Nc1nc2ccccn2n1)c1cccc([N+](=O)[O-])c1 ZINC000184365254 474505239 /nfs/dbraw/zinc/50/52/39/474505239.db2.gz RQNAIVJHHDRMSE-ZDUSSCGKSA-N 0 0 340.343 2.910 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000184366112 474505309 /nfs/dbraw/zinc/50/53/09/474505309.db2.gz WTMQMXUTXYIHHO-AWEZNQCLSA-N 0 0 342.392 2.996 10 5 EFBERN CCOc1cc(N2C[C@@H](OC)C[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000249036160 474507207 /nfs/dbraw/zinc/50/72/07/474507207.db2.gz XODHNPVFJKOFTQ-JSGCOSHPSA-N 0 0 348.359 2.651 10 5 EFBERN Cc1cc(N2CCN(c3nc4ccccc4o3)CC2)ncc1[N+](=O)[O-] ZINC000266865692 474508286 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/nfs/dbraw/zinc/83/08/24/474830824.db2.gz MWTWPGBKRUXPSD-UHFFFAOYSA-N 0 0 339.342 2.725 10 5 EFBERN C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000310965259 474832263 /nfs/dbraw/zinc/83/22/63/474832263.db2.gz CFASTSDFDKIOOP-ZDUSSCGKSA-N 0 0 343.383 2.551 10 5 EFBERN COc1cc(N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000268155935 474833026 /nfs/dbraw/zinc/83/30/26/474833026.db2.gz GBRRHEOXWGKLEI-MNOVXSKESA-N 0 0 339.367 2.801 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000345044343 474841659 /nfs/dbraw/zinc/84/16/59/474841659.db2.gz OJTDHPQSDIPKQM-PSVSLLHZSA-N 0 0 341.367 2.860 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(-c3ncc[nH]3)no2)c1 ZINC000284975979 474847791 /nfs/dbraw/zinc/84/77/91/474847791.db2.gz DHGOSBLGRRSJGQ-UHFFFAOYSA-N 0 0 326.316 2.635 10 5 EFBERN CCN(CC)C(=O)[C@@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255405212 474851016 /nfs/dbraw/zinc/85/10/16/474851016.db2.gz OCVXZRZJHSWPPI-JEZWAEDTSA-N 0 0 331.416 2.941 10 5 EFBERN COc1ncc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000341005983 474872212 /nfs/dbraw/zinc/87/22/12/474872212.db2.gz GJWHQYPOECHLBJ-UHFFFAOYSA-N 0 0 333.731 2.855 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1C[C@H](O)c1ccc(Br)cc1 ZINC000273406397 474881602 /nfs/dbraw/zinc/88/16/02/474881602.db2.gz LXTRYGGWPPKLHR-NSHDSACASA-N 0 0 326.150 2.596 10 5 EFBERN COC[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000341019488 474885226 /nfs/dbraw/zinc/88/52/26/474885226.db2.gz NAAARVZZMCCSSG-INIZCTEOSA-N 0 0 347.346 2.921 10 5 EFBERN CCNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000285092270 474888955 /nfs/dbraw/zinc/88/89/55/474888955.db2.gz XMBJJRGKJKYGRX-HNNXBMFYSA-N 0 0 347.415 2.678 10 5 EFBERN Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000345105940 474895346 /nfs/dbraw/zinc/89/53/46/474895346.db2.gz RXOUFKYUEXFWQQ-NSODJVPESA-N 0 0 340.383 2.873 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cn1 ZINC000341032614 474898226 /nfs/dbraw/zinc/89/82/26/474898226.db2.gz HABIEXQCUAWFML-QGZVFWFLSA-N 0 0 331.347 2.560 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285169603 474914473 /nfs/dbraw/zinc/91/44/73/474914473.db2.gz BBFMSOWTKURRFO-HNNXBMFYSA-N 0 0 326.780 2.630 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000292229450 474914386 /nfs/dbraw/zinc/91/43/86/474914386.db2.gz CXZGVIOXWPWZHI-ZJUUUORDSA-N 0 0 329.784 2.513 10 5 EFBERN CC(=O)N1C[C@@H]2CCC[C@@H](Nc3nc(C)cc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000341049766 474915878 /nfs/dbraw/zinc/91/58/78/474915878.db2.gz UGXQNPVZGAIZIZ-RRFJBIMHSA-N 0 0 332.404 2.666 10 5 EFBERN C[C@]1(C(N)=O)CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339088550 474918063 /nfs/dbraw/zinc/91/80/63/474918063.db2.gz FGAGLHWXVNTUFW-CQSZACIVSA-N 0 0 345.321 2.844 10 5 EFBERN COc1ccc(CNC(=O)c2oc(C3CC3)nc2C)cc1[N+](=O)[O-] ZINC000273480811 474921111 /nfs/dbraw/zinc/92/11/11/474921111.db2.gz KJBZOKQOSQQDGS-UHFFFAOYSA-N 0 0 331.328 2.707 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)c2ccsc2)CC1 ZINC000273482940 474921308 /nfs/dbraw/zinc/92/13/08/474921308.db2.gz UYVGKWKZVNWXSJ-UHFFFAOYSA-N 0 0 345.424 2.923 10 5 EFBERN C[C@@H]1c2ccccc2CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000341056829 474924045 /nfs/dbraw/zinc/92/40/45/474924045.db2.gz ZDTIGYHGOJZPQC-GFCCVEGCSA-N 0 0 349.350 2.893 10 5 EFBERN CC(C)c1noc(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000339100905 474927237 /nfs/dbraw/zinc/92/72/37/474927237.db2.gz YBUSFRTZSHNIFT-UHFFFAOYSA-N 0 0 333.348 2.856 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC1(C)C ZINC000339110140 474938323 /nfs/dbraw/zinc/93/83/23/474938323.db2.gz QVBWVDWEIHBTKT-LLVKDONJSA-N 0 0 342.417 2.708 10 5 EFBERN Cc1c(Br)c(N2CC[C@@H](CO)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000341069202 474939099 /nfs/dbraw/zinc/93/90/99/474939099.db2.gz LQWBFCXDHSCABU-PSASIEDQSA-N 0 0 344.209 2.658 10 5 EFBERN CCc1noc(C)c1NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000339115364 474941955 /nfs/dbraw/zinc/94/19/55/474941955.db2.gz DSJXLTDCZXQHJC-UHFFFAOYSA-N 0 0 334.332 2.784 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(C(=O)OC)n1C)c1cccc([N+](=O)[O-])c1 ZINC000293362502 474947060 /nfs/dbraw/zinc/94/70/60/474947060.db2.gz LUTHHKFINVEURO-CYBMUJFWSA-N 0 0 345.355 2.601 10 5 EFBERN Cc1cn2cc(NC(=O)CCNc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000339123032 474948100 /nfs/dbraw/zinc/94/81/00/474948100.db2.gz DUSVJNRDWMWGTM-UHFFFAOYSA-N 0 0 339.355 2.992 10 5 EFBERN CC(C)(C)C1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273531826 474948584 /nfs/dbraw/zinc/94/85/84/474948584.db2.gz ZEVHCJIEKKKBNS-UHFFFAOYSA-N 0 0 341.433 2.505 10 5 EFBERN CCNC(=O)N1CC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000268383064 474950167 /nfs/dbraw/zinc/95/01/67/474950167.db2.gz KBSHNXZOJTXCHL-SNVBAGLBSA-N 0 0 346.309 2.829 10 5 EFBERN Cc1cn2cc(NC(=O)COc3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000339124182 474950842 /nfs/dbraw/zinc/95/08/42/474950842.db2.gz LLMJARRQGGJCBI-UHFFFAOYSA-N 0 0 326.312 2.568 10 5 EFBERN O=[N+]([O-])c1cccc2c(N3CC[C@](O)(C(F)(F)F)C3)ccnc21 ZINC000323866932 474956486 /nfs/dbraw/zinc/95/64/86/474956486.db2.gz YNHMFPZHWSMORE-CYBMUJFWSA-N 0 0 327.262 2.647 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000617239793 480136831 /nfs/dbraw/zinc/13/68/31/480136831.db2.gz YBTKLPZFPVGOTR-ZDUSSCGKSA-N 0 0 349.412 2.689 10 5 EFBERN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000629125705 480136972 /nfs/dbraw/zinc/13/69/72/480136972.db2.gz KAVVJOGMZATWBG-SCLBCKFNSA-N 0 0 348.402 2.979 10 5 EFBERN COC[C@H]1CCCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000345180679 474968200 /nfs/dbraw/zinc/96/82/00/474968200.db2.gz SDKXPKZXDDFHOQ-LBPRGKRZSA-N 0 0 331.372 2.965 10 5 EFBERN CC(C)(C)OC(=O)c1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273572930 474970544 /nfs/dbraw/zinc/97/05/44/474970544.db2.gz DMOLERQUDITMEE-UHFFFAOYSA-N 0 0 330.344 2.952 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCO[C@]3(CCCOC3)C2)ccc1Cl ZINC000285324479 474972218 /nfs/dbraw/zinc/97/22/18/474972218.db2.gz NJJGNUNSEHPMIU-OAHLLOKOSA-N 0 0 326.780 2.630 10 5 EFBERN Cc1nc(NCCCN2C(=O)COc3ccccc32)ccc1[N+](=O)[O-] ZINC000268425854 474972383 /nfs/dbraw/zinc/97/23/83/474972383.db2.gz AGJVJUVYWYBLCI-UHFFFAOYSA-N 0 0 342.355 2.526 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCO[C@@]3(CCCOC3)C2)ccc1Cl ZINC000285324476 474972625 /nfs/dbraw/zinc/97/26/25/474972625.db2.gz NJJGNUNSEHPMIU-HNNXBMFYSA-N 0 0 326.780 2.630 10 5 EFBERN CO[C@@H](C)c1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000339145410 474974726 /nfs/dbraw/zinc/97/47/26/474974726.db2.gz XBHQNJRQLXSTMA-NSHDSACASA-N 0 0 332.360 2.873 10 5 EFBERN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000629125704 480137535 /nfs/dbraw/zinc/13/75/35/480137535.db2.gz KAVVJOGMZATWBG-FZKQIMNGSA-N 0 0 348.402 2.979 10 5 EFBERN CC1(C)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H]1O ZINC000279440496 474976582 /nfs/dbraw/zinc/97/65/82/474976582.db2.gz UZUBNCHQCRKXLC-MRXNPFEDSA-N 0 0 336.391 2.937 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1C(F)F ZINC000337408546 474986902 /nfs/dbraw/zinc/98/69/02/474986902.db2.gz NWOGQDFWUSYQOR-GFCCVEGCSA-N 0 0 327.331 2.961 10 5 EFBERN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000325982509 474997112 /nfs/dbraw/zinc/99/71/12/474997112.db2.gz IUOQWMGCMHRCPM-NSHDSACASA-N 0 0 325.324 2.684 10 5 EFBERN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000325982508 474997466 /nfs/dbraw/zinc/99/74/66/474997466.db2.gz IUOQWMGCMHRCPM-LLVKDONJSA-N 0 0 325.324 2.684 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341130197 475005513 /nfs/dbraw/zinc/00/55/13/475005513.db2.gz RHYQKRNWUAYHFZ-CHWSQXEVSA-N 0 0 334.420 2.629 10 5 EFBERN CNc1c(C(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000326894226 475012471 /nfs/dbraw/zinc/01/24/71/475012471.db2.gz GYPPYTRZVZLBTR-UHFFFAOYSA-N 0 0 340.383 2.599 10 5 EFBERN Cn1cc(C(N)=O)c([C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)n1 ZINC000328606508 475034624 /nfs/dbraw/zinc/03/46/24/475034624.db2.gz RVZMXXFAQJVZAX-LLVKDONJSA-N 0 0 329.360 2.596 10 5 EFBERN CC(=O)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000268791899 475041218 /nfs/dbraw/zinc/04/12/18/475041218.db2.gz XAVQTFRYBCVRPT-SNVBAGLBSA-N 0 0 347.396 2.502 10 5 EFBERN Cc1nc(C2CC2)oc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000273836570 475073241 /nfs/dbraw/zinc/07/32/41/475073241.db2.gz LVGJBXXMEIFAQV-UHFFFAOYSA-N 0 0 327.300 2.897 10 5 EFBERN O=c1[nH]c(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc2ccc([N+](=O)[O-])cc21 ZINC000281116127 475079365 /nfs/dbraw/zinc/07/93/65/475079365.db2.gz GYOJRHKAGMTJRF-MPKXVKKWSA-N 0 0 330.344 2.613 10 5 EFBERN COc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000337510431 475081966 /nfs/dbraw/zinc/08/19/66/475081966.db2.gz LGGYUEJCQHFFCY-UHFFFAOYSA-N 0 0 345.355 2.971 10 5 EFBERN O=C(N[C@@H]1CCCc2c[nH]nc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268962115 475097367 /nfs/dbraw/zinc/09/73/67/475097367.db2.gz JUXQDRJEIQWMOW-CQSZACIVSA-N 0 0 325.328 2.607 10 5 EFBERN Cc1cn2cc(NC(=O)CNc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000339276032 475110221 /nfs/dbraw/zinc/11/02/21/475110221.db2.gz ZCVGYAFVQNOKRS-UHFFFAOYSA-N 0 0 325.328 2.602 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc(C)nc1C1CC1 ZINC000341526104 475114792 /nfs/dbraw/zinc/11/47/92/475114792.db2.gz HFUHKGKQKWNYSP-UHFFFAOYSA-N 0 0 328.328 2.832 10 5 EFBERN CCS[C@@H]1CCCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000613922200 480146692 /nfs/dbraw/zinc/14/66/92/480146692.db2.gz RSAMXPSPLURWAQ-CYBMUJFWSA-N 0 0 325.434 2.781 10 5 EFBERN Cc1cc(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000273923150 475119830 /nfs/dbraw/zinc/11/98/30/475119830.db2.gz GIPPLYSRBLSERG-UHFFFAOYSA-N 0 0 335.335 2.967 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000287382834 475122257 /nfs/dbraw/zinc/12/22/57/475122257.db2.gz RQSZYSVSQIXYCY-KRWDZBQOSA-N 0 0 349.387 2.625 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)CO[C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000345371431 475134337 /nfs/dbraw/zinc/13/43/37/475134337.db2.gz NINMVEMBALZGDA-CHWSQXEVSA-N 0 0 346.387 2.592 10 5 EFBERN C[C@@H]1Oc2ccc(C(=O)COc3ccc([N+](=O)[O-])cc3)cc2NC1=O ZINC000341551354 475135383 /nfs/dbraw/zinc/13/53/83/475135383.db2.gz PFJDNBKFBCIOSY-JTQLQIEISA-N 0 0 342.307 2.576 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)CC(C)(C)OC)c1[N+](=O)[O-] ZINC000287437339 475146694 /nfs/dbraw/zinc/14/66/94/475146694.db2.gz UZMBCVARQCKVDN-SNVBAGLBSA-N 0 0 325.365 2.700 10 5 EFBERN CO[C@@H](C)c1noc(CN(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000269052326 475148818 /nfs/dbraw/zinc/14/88/18/475148818.db2.gz SUKMZVHPZUUQQU-VIFPVBQESA-N 0 0 340.767 2.971 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[nH]n1 ZINC000269060472 475154613 /nfs/dbraw/zinc/15/46/13/475154613.db2.gz PWGZMFGBRZBCQS-VIFPVBQESA-N 0 0 328.328 2.734 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000269088922 475167508 /nfs/dbraw/zinc/16/75/08/475167508.db2.gz KMNQHDJTVRLUDI-NSHDSACASA-N 0 0 330.388 2.651 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000269088920 475168654 /nfs/dbraw/zinc/16/86/54/475168654.db2.gz KMNQHDJTVRLUDI-LLVKDONJSA-N 0 0 330.388 2.651 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](C)c1nnc(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000287491094 475171170 /nfs/dbraw/zinc/17/11/70/475171170.db2.gz GBQOVJZPDSSHOZ-NOZJJQNGSA-N 0 0 332.364 2.533 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC=C(c2ccnn2C)CC1 ZINC000287493007 475171630 /nfs/dbraw/zinc/17/16/30/475171630.db2.gz IVONNDXCHKIGPJ-UHFFFAOYSA-N 0 0 341.371 2.958 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000617285192 480151403 /nfs/dbraw/zinc/15/14/03/480151403.db2.gz UFTJKVZSZOAXCP-OAHLLOKOSA-N 0 0 336.388 2.929 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(S(C)(=O)=O)s1 ZINC000345468649 475208084 /nfs/dbraw/zinc/20/80/84/475208084.db2.gz SLXNBKSHEFXZKT-UHFFFAOYSA-N 0 0 340.426 2.658 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000337663360 475220716 /nfs/dbraw/zinc/22/07/16/475220716.db2.gz NJFLERXJBXEMHZ-UHFFFAOYSA-N 0 0 327.344 2.546 10 5 EFBERN COCC(C)(C)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000345507245 475225888 /nfs/dbraw/zinc/22/58/88/475225888.db2.gz XVKQVVYOOUYJBK-UHFFFAOYSA-N 0 0 332.303 2.693 10 5 EFBERN Cc1cc(C(=O)NCCc2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000339460817 475229488 /nfs/dbraw/zinc/22/94/88/475229488.db2.gz CAVUOSSWDRQYEM-UHFFFAOYSA-N 0 0 326.356 2.543 10 5 EFBERN O=C(NCC[C@H]1COc2ccccc2O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361163898 475235738 /nfs/dbraw/zinc/23/57/38/475235738.db2.gz CLOGFTCYNXFAIG-AWEZNQCLSA-N 0 0 346.314 2.694 10 5 EFBERN O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])s1 ZINC000361164399 475237272 /nfs/dbraw/zinc/23/72/72/475237272.db2.gz QMEBUAMTAVMVTL-SNVBAGLBSA-N 0 0 334.353 2.616 10 5 EFBERN CC[C@@H](NC(=O)NCCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000352384315 475238911 /nfs/dbraw/zinc/23/89/11/475238911.db2.gz WPOBNGBVPOZBHE-LLVKDONJSA-N 0 0 335.282 2.882 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(Oc3ccccc3)nn2)c1=O ZINC000345522465 475239511 /nfs/dbraw/zinc/23/95/11/475239511.db2.gz PJSVIUKBEWVWDN-UHFFFAOYSA-N 0 0 338.323 2.696 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)Cn2ccccc2=O)cc1[N+](=O)[O-] ZINC000341709561 475240038 /nfs/dbraw/zinc/24/00/38/475240038.db2.gz CIXGPVZXSCDTDD-UHFFFAOYSA-N 0 0 329.356 2.693 10 5 EFBERN C[C@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC000341709080 475240350 /nfs/dbraw/zinc/24/03/50/475240350.db2.gz BLYSGALJXDUABJ-JGVFFNPUSA-N 0 0 329.150 2.721 10 5 EFBERN CC1(C)[C@@H](O)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361172457 475242462 /nfs/dbraw/zinc/24/24/62/475242462.db2.gz SUGBGXXPNFNUOJ-ZDUSSCGKSA-N 0 0 347.396 2.704 10 5 EFBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000357906130 475249395 /nfs/dbraw/zinc/24/93/95/475249395.db2.gz GEOQYMAHZNBRAX-SSDOTTSWSA-N 0 0 326.715 2.612 10 5 EFBERN COc1cc2nc(C)sc2cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357909025 475253055 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COc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3OC)n2)cn1 ZINC000345803657 475464342 /nfs/dbraw/zinc/46/43/42/475464342.db2.gz TXRCLZAZCJQIOI-UHFFFAOYSA-N 0 0 328.284 2.724 10 5 EFBERN COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc([N+](=O)[O-])c1C ZINC000358179481 475464539 /nfs/dbraw/zinc/46/45/39/475464539.db2.gz FWUGXKXRNKPQBH-UONOGXRCSA-N 0 0 348.399 2.801 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000337963920 475465542 /nfs/dbraw/zinc/46/55/42/475465542.db2.gz LCGMIJSKZWSCFM-HOTGVXAUSA-N 0 0 341.367 2.959 10 5 EFBERN CCc1noc(C)c1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000354859638 475468685 /nfs/dbraw/zinc/46/86/85/475468685.db2.gz OZBVITYXOXQPGE-UHFFFAOYSA-N 0 0 339.298 2.591 10 5 EFBERN CC(C)(NC(=O)COc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000345807959 475469190 /nfs/dbraw/zinc/46/91/90/475469190.db2.gz QGCMYJIWLCTYJO-UHFFFAOYSA-N 0 0 330.340 2.731 10 5 EFBERN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000341979881 475469973 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C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000342012073 475502990 /nfs/dbraw/zinc/50/29/90/475502990.db2.gz HAIIEXPFENLWRZ-SNVBAGLBSA-N 0 0 333.388 2.746 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000358226647 475507526 /nfs/dbraw/zinc/50/75/26/475507526.db2.gz RACAASGRIQHTGE-UHFFFAOYSA-N 0 0 338.747 2.784 10 5 EFBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000296864215 475512050 /nfs/dbraw/zinc/51/20/50/475512050.db2.gz JLOQQHLTAWONJB-DTWKUNHWSA-N 0 0 331.294 2.980 10 5 EFBERN C[C@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO[C@H]1C1CC1 ZINC000345860482 475516153 /nfs/dbraw/zinc/51/61/53/475516153.db2.gz ZAFGPVIESOZVRM-RDJZCZTQSA-N 0 0 329.356 2.764 10 5 EFBERN COc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000338024712 475517973 /nfs/dbraw/zinc/51/79/73/475517973.db2.gz VSVBZNGFRHZXDM-SNVBAGLBSA-N 0 0 344.323 2.823 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000338030516 475523503 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C[C@@H](NC(=O)N[C@H](CO)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000338062737 475556845 /nfs/dbraw/zinc/55/68/45/475556845.db2.gz NWBFYBUQTMOMKU-OCCSQVGLSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000338082197 475572535 /nfs/dbraw/zinc/57/25/35/475572535.db2.gz SGUIVTBBNVKCFT-UHFFFAOYSA-N 0 0 348.380 2.700 10 5 EFBERN CSc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000358303900 475574424 /nfs/dbraw/zinc/57/44/24/475574424.db2.gz BPULOUYKGMREJV-SNVBAGLBSA-N 0 0 334.401 2.850 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000338096102 475585285 /nfs/dbraw/zinc/58/52/85/475585285.db2.gz QVFPRPCXYIJYJA-UHFFFAOYSA-N 0 0 348.380 2.700 10 5 EFBERN Cc1nc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cs1 ZINC000338134541 475615160 /nfs/dbraw/zinc/61/51/60/475615160.db2.gz FKITZZJCNBATEA-UHFFFAOYSA-N 0 0 330.325 2.866 10 5 EFBERN COc1nnccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000346517611 475626837 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C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H]1C ZINC000297170726 475638517 /nfs/dbraw/zinc/63/85/17/475638517.db2.gz SIHUIEXDCWUNNR-RNFRBKRXSA-N 0 0 339.200 2.931 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000348397301 475640096 /nfs/dbraw/zinc/64/00/96/475640096.db2.gz GYCJBWXZGOVCRH-UHFFFAOYSA-N 0 0 333.348 2.592 10 5 EFBERN COc1c(C)cc(CN(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1C ZINC000338164128 475642211 /nfs/dbraw/zinc/64/22/11/475642211.db2.gz CZQSZJQDHWZFKP-UHFFFAOYSA-N 0 0 332.360 2.524 10 5 EFBERN CC1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000338184257 475658472 /nfs/dbraw/zinc/65/84/72/475658472.db2.gz AXMWLBZJNATGAF-UHFFFAOYSA-N 0 0 331.294 2.894 10 5 EFBERN CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000361683368 475661250 /nfs/dbraw/zinc/66/12/50/475661250.db2.gz AZTFHRPNDQSZGT-SJORKVTESA-N 0 0 343.358 2.909 10 5 EFBERN CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H](O)C(F)F ZINC000297241928 475673051 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COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)s2)cc1 ZINC000343015749 475700393 /nfs/dbraw/zinc/70/03/93/475700393.db2.gz PSACXRHFNNTMPN-UHFFFAOYSA-N 0 0 345.340 2.702 10 5 EFBERN CC[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000348508677 475708315 /nfs/dbraw/zinc/70/83/15/475708315.db2.gz GJSGMNGGFATEGV-INIZCTEOSA-N 0 0 341.367 2.592 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(Cl)cn1 ZINC000343032886 475710392 /nfs/dbraw/zinc/71/03/92/475710392.db2.gz IERNKKCCCOLDFT-UHFFFAOYSA-N 0 0 344.758 2.914 10 5 EFBERN COc1cc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)ccc1OC(C)C ZINC000361761383 475729444 /nfs/dbraw/zinc/72/94/44/475729444.db2.gz YDSNYTXYBLSILW-UHFFFAOYSA-N 0 0 346.343 2.628 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc3c[nH]nc3c2)c1 ZINC000343062315 475732730 /nfs/dbraw/zinc/73/27/30/475732730.db2.gz MWRXBCIHRLTJMX-UHFFFAOYSA-N 0 0 340.339 2.912 10 5 EFBERN COc1cccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000358511695 475737515 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EFBERN Cc1ccc(NC(=O)C(=O)NC2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000343095385 475764878 /nfs/dbraw/zinc/76/48/78/475764878.db2.gz JLGDCUYDXVKZJL-UHFFFAOYSA-N 0 0 333.388 2.783 10 5 EFBERN Cc1c(CN2C(=O)N[C@H](CCOC(C)(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000348583923 475771454 /nfs/dbraw/zinc/77/14/54/475771454.db2.gz HCZVPIJQIIJBCP-CYBMUJFWSA-N 0 0 349.387 2.529 10 5 EFBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000340130886 475782291 /nfs/dbraw/zinc/78/22/91/475782291.db2.gz LHMJYPHMEXJSGN-IUODEOHRSA-N 0 0 329.356 2.536 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cc(C)no1 ZINC000343119568 475785523 /nfs/dbraw/zinc/78/55/23/475785523.db2.gz RHGHEKGJQWZIOQ-CQSZACIVSA-N 0 0 331.372 2.819 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](c1cccnc1)C1CC1 ZINC000340137660 475788691 /nfs/dbraw/zinc/78/86/91/475788691.db2.gz OFAHPNUWWZBIFF-KRWDZBQOSA-N 0 0 340.383 2.983 10 5 EFBERN COc1ccc(CN2CCCC[C@H]2c2nnc(C)[nH]2)cc1[N+](=O)[O-] ZINC000338327165 475789409 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CCc1ncnc(CC)c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000410497140 477011750 /nfs/dbraw/zinc/01/17/50/477011750.db2.gz CWYFKYCWQQSKLP-UHFFFAOYSA-N 0 0 326.356 2.713 10 5 EFBERN Cc1cc(OCC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000452598770 477013363 /nfs/dbraw/zinc/01/33/63/477013363.db2.gz RZLDPSXWFQOZGS-DZASIIFFSA-N 0 0 342.395 2.953 10 5 EFBERN COc1cccc2c1[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000431359188 477016612 /nfs/dbraw/zinc/01/66/12/477016612.db2.gz QEJKGNFZUSCAJL-HNNXBMFYSA-N 0 0 326.352 2.950 10 5 EFBERN Cc1c(CN2CCCC[C@@H]2CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000366451226 477017121 /nfs/dbraw/zinc/01/71/21/477017121.db2.gz XYWPACKQVSUOTF-OAHLLOKOSA-N 0 0 340.445 2.692 10 5 EFBERN CC(C)(C)CC[C@@H]1NC(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000431395644 477021090 /nfs/dbraw/zinc/02/10/90/477021090.db2.gz FQBRFOYUIURASD-AWEZNQCLSA-N 0 0 333.388 2.884 10 5 EFBERN CCCCNC(=O)[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447672139 477033266 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O=[N+]([O-])c1ccc2[nH]c(NCc3cccc4c3OCCCO4)nc2c1 ZINC000447695524 477037617 /nfs/dbraw/zinc/03/76/17/477037617.db2.gz MQLINKCVGBYUGF-UHFFFAOYSA-N 0 0 340.339 2.666 10 5 EFBERN Cn1cc(-c2ccccc2CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000447695800 477037847 /nfs/dbraw/zinc/03/78/47/477037847.db2.gz YKXFXDUZCBWDSL-UHFFFAOYSA-N 0 0 348.366 2.906 10 5 EFBERN CC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366496349 477040187 /nfs/dbraw/zinc/04/01/87/477040187.db2.gz WTMJRDVWOFKUTR-FZKQIMNGSA-N 0 0 343.383 2.917 10 5 EFBERN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000447715448 477040729 /nfs/dbraw/zinc/04/07/29/477040729.db2.gz POLSWSHYDLGKRG-LLVKDONJSA-N 0 0 331.225 2.937 10 5 EFBERN COc1cc(N(C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000431501545 477041271 /nfs/dbraw/zinc/04/12/71/477041271.db2.gz YADIWFMOCXEXGS-CYBMUJFWSA-N 0 0 334.347 2.782 10 5 EFBERN Cc1ccccc1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000375848267 477043925 /nfs/dbraw/zinc/04/39/25/477043925.db2.gz NNBZZKCEVXNINH-UHFFFAOYSA-N 0 0 328.372 2.657 10 5 EFBERN CCOC1(C)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452696209 477048936 /nfs/dbraw/zinc/04/89/36/477048936.db2.gz HMFCXKFRJOCDDT-UHFFFAOYSA-N 0 0 342.779 2.655 10 5 EFBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2COC)C[C@]2(CCOC2)O1 ZINC000366534128 477055864 /nfs/dbraw/zinc/05/58/64/477055864.db2.gz KBOIPCJBAMSZNR-WBVHZDCISA-N 0 0 336.388 2.516 10 5 EFBERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000370957434 477056368 /nfs/dbraw/zinc/05/63/68/477056368.db2.gz VGZVFXLIZPTVNV-NSHDSACASA-N 0 0 334.401 2.721 10 5 EFBERN COc1ccc(S(=O)(=O)NC(C)(C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000431592973 477057947 /nfs/dbraw/zinc/05/79/47/477057947.db2.gz UTNNDWOVFQEPAM-UHFFFAOYSA-N 0 0 330.406 2.706 10 5 EFBERN COC(=O)c1cc(N2CCO[C@H](C(C)(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000447806613 477061877 /nfs/dbraw/zinc/06/18/77/477061877.db2.gz OAIYPHUZVBRICY-AWEZNQCLSA-N 0 0 336.388 2.941 10 5 EFBERN CCOC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCCC1 ZINC000447858664 477077625 /nfs/dbraw/zinc/07/76/25/477077625.db2.gz NFWVOONNTZDWHF-UHFFFAOYSA-N 0 0 334.372 2.899 10 5 EFBERN Cc1cccnc1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000452797009 477086771 /nfs/dbraw/zinc/08/67/71/477086771.db2.gz OFNHTPYCQOMCAI-LBPRGKRZSA-N 0 0 331.347 2.900 10 5 EFBERN CO[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000452818903 477095692 /nfs/dbraw/zinc/09/56/92/477095692.db2.gz BJXNQGWGGGCCHN-JOYOIKCWSA-N 0 0 344.314 2.693 10 5 EFBERN C[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833878 477100811 /nfs/dbraw/zinc/10/08/11/477100811.db2.gz BITJRGMUSYJYLE-UNEWFSDZSA-N 0 0 332.400 2.973 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCOCC12CCCCC2 ZINC000411071447 477105094 /nfs/dbraw/zinc/10/50/94/477105094.db2.gz RIZIDWGZISHBTG-UHFFFAOYSA-N 0 0 334.372 2.779 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000452850277 477106858 /nfs/dbraw/zinc/10/68/58/477106858.db2.gz UARDIMJHVVGMCX-PBHICJAKSA-N 0 0 349.431 2.598 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000452855323 477108437 /nfs/dbraw/zinc/10/84/37/477108437.db2.gz WECDYSZULLIVAG-IUODEOHRSA-N 0 0 336.388 2.784 10 5 EFBERN CC[C@H](NC(=O)[C@@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000457616924 477110219 /nfs/dbraw/zinc/11/02/19/477110219.db2.gz AYOYBLFIOCBCBG-LRDDRELGSA-N 0 0 330.388 2.774 10 5 EFBERN CC(C)n1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000452860108 477110420 /nfs/dbraw/zinc/11/04/20/477110420.db2.gz STJNGQTWEPBEDF-AWEZNQCLSA-N 0 0 343.387 2.787 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000375975252 477112665 /nfs/dbraw/zinc/11/26/65/477112665.db2.gz QGDAATUXUZCTPP-UHFFFAOYSA-N 0 0 333.731 2.547 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000452885345 477117979 /nfs/dbraw/zinc/11/79/79/477117979.db2.gz LQSMLLOUOZLBLC-WBMJQRKESA-N 0 0 336.388 2.784 10 5 EFBERN COc1ccc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452900975 477123969 /nfs/dbraw/zinc/12/39/69/477123969.db2.gz TXXJIDAQFDOZKN-LRDDRELGSA-N 0 0 336.388 2.784 10 5 EFBERN COc1ccc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452900974 477124079 /nfs/dbraw/zinc/12/40/79/477124079.db2.gz TXXJIDAQFDOZKN-BLLLJJGKSA-N 0 0 336.388 2.784 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000452900272 477124160 /nfs/dbraw/zinc/12/41/60/477124160.db2.gz SXUMTTYQFMCMOP-MLGOLLRUSA-N 0 0 336.388 2.784 10 5 EFBERN COc1cc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452902678 477125677 /nfs/dbraw/zinc/12/56/77/477125677.db2.gz UNXDHYVGWTZDRH-SWLSCSKDSA-N 0 0 336.388 2.784 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccncc2)c(C)cc1[N+](=O)[O-] ZINC000416380115 477152408 /nfs/dbraw/zinc/15/24/08/477152408.db2.gz COAWFGLCYMKZJY-ZDUSSCGKSA-N 0 0 349.412 2.988 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)[C@H](C)c2ccccn2)c(C)cc1[N+](=O)[O-] ZINC000416395851 477157434 /nfs/dbraw/zinc/15/74/34/477157434.db2.gz XYQRFQNVGVNOAK-CYBMUJFWSA-N 0 0 349.412 2.988 10 5 EFBERN CN(C)c1ncc(CN(C)c2ccnc3c2cccc3[N+](=O)[O-])cn1 ZINC000432140495 477166305 /nfs/dbraw/zinc/16/63/05/477166305.db2.gz QXUQUTWREVPQTF-UHFFFAOYSA-N 0 0 338.371 2.635 10 5 EFBERN Cc1c(C(=O)N2CCCC23CCC3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000366752806 477169679 /nfs/dbraw/zinc/16/96/79/477169679.db2.gz VSCFMFXHRZJCML-UHFFFAOYSA-N 0 0 341.371 2.643 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](c3ccncn3)C2)s1 ZINC000376105784 477176952 /nfs/dbraw/zinc/17/69/52/477176952.db2.gz BQSYSJJISLGKCL-JTQLQIEISA-N 0 0 342.384 2.774 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)CCCOC(C)C)c(C)cc1[N+](=O)[O-] ZINC000416458974 477179324 /nfs/dbraw/zinc/17/93/24/477179324.db2.gz JTIOWMOTQFFUGT-UHFFFAOYSA-N 0 0 344.433 2.647 10 5 EFBERN CCOC(=O)CC1(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CCCC1 ZINC000448513571 477182669 /nfs/dbraw/zinc/18/26/69/477182669.db2.gz RHRMSDQOHHFZGP-UHFFFAOYSA-N 0 0 334.372 2.899 10 5 EFBERN Cc1ccc(NCCCNC(=O)[C@@H]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000376115610 477182958 /nfs/dbraw/zinc/18/29/58/477182958.db2.gz ORZLWSDLNBHONP-CQSZACIVSA-N 0 0 335.404 2.638 10 5 EFBERN Cc1cc(S(=O)(=O)NCCC2CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000416500567 477189031 /nfs/dbraw/zinc/18/90/31/477189031.db2.gz HJDYKHMVEJHKSI-UHFFFAOYSA-N 0 0 334.344 2.617 10 5 EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2(C3CCC3)CCC2)cc1 ZINC000416502597 477190430 /nfs/dbraw/zinc/19/04/30/477190430.db2.gz MMBCCNBZBZLOEJ-UHFFFAOYSA-N 0 0 338.429 2.985 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000376136556 477192197 /nfs/dbraw/zinc/19/21/97/477192197.db2.gz WBSLGWHPVXCLER-QGZVFWFLSA-N 0 0 346.362 2.580 10 5 EFBERN Cc1cc(Cc2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)n[nH]1 ZINC000453235347 477195050 /nfs/dbraw/zinc/19/50/50/477195050.db2.gz JYEHTFZDXUPTNJ-UHFFFAOYSA-N 0 0 340.343 2.625 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H]2CCC(F)(F)C2)c(C)cc1[N+](=O)[O-] ZINC000416526847 477203174 /nfs/dbraw/zinc/20/31/74/477203174.db2.gz OTGVFRLSDJFQBD-NSHDSACASA-N 0 0 348.371 2.925 10 5 EFBERN C[C@@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000432461689 477220604 /nfs/dbraw/zinc/22/06/04/477220604.db2.gz FZXHPNWRGBBWEI-PELKAZGASA-N 0 0 332.278 2.768 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371303091 477229196 /nfs/dbraw/zinc/22/91/96/477229196.db2.gz BZPDETZECACYPO-ADYCGDDGSA-N 0 0 332.356 2.760 10 5 EFBERN Nc1c(C(=O)N2CCC(c3ccccn3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000371322455 477241073 /nfs/dbraw/zinc/24/10/73/477241073.db2.gz FTYUGYKGBGPGIQ-UHFFFAOYSA-N 0 0 344.346 2.731 10 5 EFBERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000411467183 477245409 /nfs/dbraw/zinc/24/54/09/477245409.db2.gz WBRZUGBGUIAPSM-CQSZACIVSA-N 0 0 331.372 2.681 10 5 EFBERN C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000376267689 477259146 /nfs/dbraw/zinc/25/91/46/477259146.db2.gz TUWGMNVZQFDSTR-QGZVFWFLSA-N 0 0 326.356 2.607 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C2CC2)C1 ZINC000411523101 477263759 /nfs/dbraw/zinc/26/37/59/477263759.db2.gz DGKRKHKSMGHJHK-CQSZACIVSA-N 0 0 345.399 2.799 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(OC)(c3ccccc3)C2)c1 ZINC000376294504 477273348 /nfs/dbraw/zinc/27/33/48/477273348.db2.gz SVLUHHPQJZWWDD-UHFFFAOYSA-N 0 0 342.351 2.601 10 5 EFBERN Cc1cc(NC(=O)C(=O)NCC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000411580089 477283500 /nfs/dbraw/zinc/28/35/00/477283500.db2.gz CVKMEGMWNPLBIT-UHFFFAOYSA-N 0 0 333.388 2.928 10 5 EFBERN Cc1ccc(NC(=O)N2CC(CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000416741233 477291077 /nfs/dbraw/zinc/29/10/77/477291077.db2.gz XOIHVUPFJDSCHG-UHFFFAOYSA-N 0 0 341.367 2.681 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC(C(C)(C)C)C1 ZINC000411608479 477293390 /nfs/dbraw/zinc/29/33/90/477293390.db2.gz UMUQJBMEFUULPP-UHFFFAOYSA-N 0 0 333.388 2.655 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H]2COc3ccc(C)cc32)c1[N+](=O)[O-] ZINC000376405724 477318394 /nfs/dbraw/zinc/31/83/94/477318394.db2.gz GMHNAAGXPFDYOM-CYBMUJFWSA-N 0 0 343.339 2.939 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000371450628 477325390 /nfs/dbraw/zinc/32/53/90/477325390.db2.gz MQPXVQXBHIVFMC-GFCCVEGCSA-N 0 0 328.372 2.530 10 5 EFBERN CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(C)=O)C[C@@]2(CCOC2)O1 ZINC000376431095 477330575 /nfs/dbraw/zinc/33/05/75/477330575.db2.gz YRELCMDLCPWXBL-WMLDXEAASA-N 0 0 334.372 2.572 10 5 EFBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(C)=O)C[C@@]2(CCOC2)O1 ZINC000376431094 477331272 /nfs/dbraw/zinc/33/12/72/477331272.db2.gz YRELCMDLCPWXBL-RHSMWYFYSA-N 0 0 334.372 2.572 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1(C2CCC2)CCC1 ZINC000411700301 477335102 /nfs/dbraw/zinc/33/51/02/477335102.db2.gz XVAHXNDTLKMOQT-UHFFFAOYSA-N 0 0 345.399 2.989 10 5 EFBERN O=C(NCCCC1CCOCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000454728126 477349097 /nfs/dbraw/zinc/34/90/97/477349097.db2.gz PPSZGNMXCQJWRR-UHFFFAOYSA-N 0 0 335.404 2.643 10 5 EFBERN C[C@@H]1CC[C@@H](C(N)=O)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000448946876 477353232 /nfs/dbraw/zinc/35/32/32/477353232.db2.gz RTXFMNQBFKIJGF-ZYHUDNBSSA-N 0 0 346.412 2.809 10 5 EFBERN COC(=O)c1cc(N2CC[C@@]3(C2)CCCOC3)cc(C)c1[N+](=O)[O-] ZINC000376488607 477358563 /nfs/dbraw/zinc/35/85/63/477358563.db2.gz RIXIOMIHYLWEQH-QGZVFWFLSA-N 0 0 334.372 2.697 10 5 EFBERN COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC000411766753 477360592 /nfs/dbraw/zinc/36/05/92/477360592.db2.gz CZGKRRALRFKIHO-UHFFFAOYSA-N 0 0 345.355 2.716 10 5 EFBERN C[C@@H](NC(=O)NCc1nn(C)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000454754579 477362224 /nfs/dbraw/zinc/36/22/24/477362224.db2.gz GIRHUTLMZRBDPU-SECBINFHSA-N 0 0 337.767 2.542 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000371512249 477363900 /nfs/dbraw/zinc/36/39/00/477363900.db2.gz UWAURPHMPIFEBR-AWEZNQCLSA-N 0 0 330.344 2.531 10 5 EFBERN Cc1cc(OCC(=O)NC[C@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000435757957 477365791 /nfs/dbraw/zinc/36/57/91/477365791.db2.gz DIHHBHPZLCEAMA-QGZVFWFLSA-N 0 0 338.404 2.585 10 5 EFBERN COc1cccnc1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000454775929 477372615 /nfs/dbraw/zinc/37/26/15/477372615.db2.gz YDDPXPUNTJOWMY-LLVKDONJSA-N 0 0 330.344 2.559 10 5 EFBERN CCOc1ccc(C(=O)N2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC000367168955 477373655 /nfs/dbraw/zinc/37/36/55/477373655.db2.gz YWTCVSPWAHOICZ-UHFFFAOYSA-N 0 0 334.372 2.779 10 5 EFBERN C[C@@H]1[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000435802806 477374138 /nfs/dbraw/zinc/37/41/38/477374138.db2.gz ZIZFOBMODVKKGY-JQAFLVLXSA-N 0 0 336.351 2.881 10 5 EFBERN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000435802804 477374536 /nfs/dbraw/zinc/37/45/36/477374536.db2.gz ZIZFOBMODVKKGY-HNHYXYPQSA-N 0 0 336.351 2.881 10 5 EFBERN COc1cccc(C[C@@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1 ZINC000435871097 477383854 /nfs/dbraw/zinc/38/38/54/477383854.db2.gz QTZZLVSQWSHMKK-GFCCVEGCSA-N 0 0 344.367 2.973 10 5 EFBERN Cn1nccc1CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000435869786 477384298 /nfs/dbraw/zinc/38/42/98/477384298.db2.gz LHOQDBOFAVCRDL-UHFFFAOYSA-N 0 0 328.372 2.847 10 5 EFBERN Cc1cc(C(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000371562303 477387045 /nfs/dbraw/zinc/38/70/45/477387045.db2.gz LCZXNWORAXEXMG-OAHLLOKOSA-N 0 0 337.339 2.541 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N2CCO[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000411836948 477387768 /nfs/dbraw/zinc/38/77/68/477387768.db2.gz APXGNNFVFXJNFS-GUYCJALGSA-N 0 0 347.415 2.731 10 5 EFBERN CO[C@@H](CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000454833642 477394541 /nfs/dbraw/zinc/39/45/41/477394541.db2.gz ULRXIBKFEHYXCV-CABZTGNLSA-N 0 0 349.309 2.922 10 5 EFBERN Cc1c(CNC(=O)N2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000454852104 477404226 /nfs/dbraw/zinc/40/42/26/477404226.db2.gz IQRBCFXOYWAZDU-QGZVFWFLSA-N 0 0 333.388 2.615 10 5 EFBERN COC(=O)c1cccc(F)c1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000436007616 477405518 /nfs/dbraw/zinc/40/55/18/477405518.db2.gz OFISJGMRXLWQSI-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN CC1=C[C@@H](C)CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000436012890 477406928 /nfs/dbraw/zinc/40/69/28/477406928.db2.gz ARRHISDSJWIKLN-GFCCVEGCSA-N 0 0 326.356 2.819 10 5 EFBERN C[C@@H]1C[C@]2(CCO1)CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000376586420 477417257 /nfs/dbraw/zinc/41/72/57/477417257.db2.gz LIHXYGKGUYLVJY-IIYDPXPESA-N 0 0 349.387 2.785 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000371639663 477422126 /nfs/dbraw/zinc/42/21/26/477422126.db2.gz SUMHSDTZMSLQSR-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN Cc1nc2c(s1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CCC2 ZINC000376616109 477431409 /nfs/dbraw/zinc/43/14/09/477431409.db2.gz UWCGOWFFWLFEFJ-LLVKDONJSA-N 0 0 333.369 2.873 10 5 EFBERN Cc1cc(NCCc2nnc3n2CCC3)c2cccc([N+](=O)[O-])c2n1 ZINC000436189738 477437509 /nfs/dbraw/zinc/43/75/09/477437509.db2.gz XZIKVEXTUAFYRD-UHFFFAOYSA-N 0 0 338.371 2.644 10 5 EFBERN COc1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc1 ZINC000436203771 477440435 /nfs/dbraw/zinc/44/04/35/477440435.db2.gz KAMZVRIPZSMTDH-UHFFFAOYSA-N 0 0 339.145 2.576 10 5 EFBERN O=C([C@@H]1CCC[C@@H](F)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000424592446 477444782 /nfs/dbraw/zinc/44/47/82/477444782.db2.gz OXMHYARPPBJCCG-ZIAGYGMSSA-N 0 0 335.379 2.772 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367312309 477446918 /nfs/dbraw/zinc/44/69/18/477446918.db2.gz MDHPAJQFFYAGJB-LJQANCHMSA-N 0 0 340.379 2.761 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@@H](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458496567 477451186 /nfs/dbraw/zinc/45/11/86/477451186.db2.gz IFBMMYLXOFSRRM-CJNGLKHVSA-N 0 0 335.404 2.850 10 5 EFBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nnc2ccccn21 ZINC000436276092 477455221 /nfs/dbraw/zinc/45/52/21/477455221.db2.gz RTAIFLCSJXZGGI-UHFFFAOYSA-N 0 0 338.249 2.663 10 5 EFBERN Nc1ccc(N[C@H]2CCN(c3ncccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000367338496 477460949 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Cc1ccc(NCCCNC(=O)NCC[C@@H](C)F)c([N+](=O)[O-])c1 ZINC000455047423 477479907 /nfs/dbraw/zinc/47/99/07/477479907.db2.gz KUPGVCWCBLRPFF-GFCCVEGCSA-N 0 0 326.372 2.753 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCc2[nH]cnc2C1 ZINC000376752606 477488111 /nfs/dbraw/zinc/48/81/11/477488111.db2.gz TZVCXHLWJVAIKE-MRVPVSSYSA-N 0 0 335.751 2.650 10 5 EFBERN O=C(NCc1ccc2c(=O)cc[nH]c2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000436485682 477492211 /nfs/dbraw/zinc/49/22/11/477492211.db2.gz HAJMZJNEXRHJDA-UHFFFAOYSA-N 0 0 338.323 2.758 10 5 EFBERN COc1ccc(NC(=O)NCCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000455094965 477496830 /nfs/dbraw/zinc/49/68/30/477496830.db2.gz DZQRBDLBDDYZDV-UHFFFAOYSA-N 0 0 337.376 2.932 10 5 EFBERN COC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000455104821 477501347 /nfs/dbraw/zinc/50/13/47/477501347.db2.gz QMAHSGLCGZETTE-GFCCVEGCSA-N 0 0 337.376 2.884 10 5 EFBERN O=C(CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)NC1CCCCC1 ZINC000413091967 477511915 /nfs/dbraw/zinc/51/19/15/477511915.db2.gz JUXGLGSRJBJCSE-UHFFFAOYSA-N 0 0 346.309 2.869 10 5 EFBERN O=[N+]([O-])c1cccc([C@@H](O)CN2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000371828622 477515497 /nfs/dbraw/zinc/51/54/97/477515497.db2.gz KMJKFXIRWOVIGG-ZWKOTPCHSA-N 0 0 334.416 2.909 10 5 EFBERN C[C@H](C(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371829900 477516492 /nfs/dbraw/zinc/51/64/92/477516492.db2.gz WPPDPPSIKFFWDQ-NSHDSACASA-N 0 0 346.362 2.967 10 5 EFBERN O=[N+]([O-])c1ccc(OCCSCc2cn(CC3CC3)nn2)cc1 ZINC000419564268 477535004 /nfs/dbraw/zinc/53/50/04/477535004.db2.gz CCQMBBORRNWKCU-UHFFFAOYSA-N 0 0 334.401 2.909 10 5 EFBERN CO[C@@H](C)c1noc(CN(C)c2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC000413166515 477549874 /nfs/dbraw/zinc/54/98/74/477549874.db2.gz GQNFGACRWSBMNI-JTQLQIEISA-N 0 0 343.343 2.870 10 5 EFBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000424888382 477555350 /nfs/dbraw/zinc/55/53/50/477555350.db2.gz NPJLCVUUSFYIGT-UHFFFAOYSA-N 0 0 326.299 2.719 10 5 EFBERN CC[C@@H](NC(=O)C(=O)c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000436707239 477564408 /nfs/dbraw/zinc/56/44/08/477564408.db2.gz XGAYDPWYACPJST-OAHLLOKOSA-N 0 0 328.324 2.751 10 5 EFBERN COC(=O)c1cc(NC(=O)NCC[C@@H](C)F)c(C)c([N+](=O)[O-])c1 ZINC000455266466 477567152 /nfs/dbraw/zinc/56/71/52/477567152.db2.gz GRYIQIUHQSVYCR-MRVPVSSYSA-N 0 0 327.312 2.559 10 5 EFBERN O=C(NCCn1cc([N+](=O)[O-])cn1)C1=C(c2ccccc2)CCCC1 ZINC000450228087 477583794 /nfs/dbraw/zinc/58/37/94/477583794.db2.gz AFCPJUVGOPYHLS-UHFFFAOYSA-N 0 0 340.383 2.935 10 5 EFBERN Cc1nn(CCC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000424998722 477591110 /nfs/dbraw/zinc/59/11/10/477591110.db2.gz KPOUFQVWRRBCBA-RHSMWYFYSA-N 0 0 346.362 2.552 10 5 EFBERN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N1CCCCC1=O ZINC000413257241 477594141 /nfs/dbraw/zinc/59/41/41/477594141.db2.gz NHCTWHILNTTWPQ-SECBINFHSA-N 0 0 346.309 2.822 10 5 EFBERN C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)N1CCCCC1=O ZINC000413259480 477594152 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2.850 10 5 EFBERN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1C(=O)OC(C)(C)C ZINC000425035896 477611754 /nfs/dbraw/zinc/61/17/54/477611754.db2.gz IFYYVCFPXRPJGS-MFKMUULPSA-N 0 0 337.376 2.505 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2cc(C)on2)c1[N+](=O)[O-] ZINC000367645954 477617152 /nfs/dbraw/zinc/61/71/52/477617152.db2.gz SOJCAOFHJHRQFB-CYBMUJFWSA-N 0 0 346.343 2.723 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](F)C1 ZINC000455408991 477622202 /nfs/dbraw/zinc/62/22/02/477622202.db2.gz ZVKMQIPFAURUFD-QMMMGPOBSA-N 0 0 332.129 2.933 10 5 EFBERN COc1cc(CN2CCOCC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000367663904 477625240 /nfs/dbraw/zinc/62/52/40/477625240.db2.gz RZOLCTFETBSILN-SNVBAGLBSA-N 0 0 346.330 2.816 10 5 EFBERN Cn1nc2c(c1CNc1nccc3cc([N+](=O)[O-])ccc31)CCCC2 ZINC000450539581 477625698 /nfs/dbraw/zinc/62/56/98/477625698.db2.gz LOMOGRVIBKSUSH-UHFFFAOYSA-N 0 0 337.383 2.789 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 ZINC000413322093 477627177 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CC[C@H](NC(=O)N[C@H](C)c1csnn1)c1cccc([N+](=O)[O-])c1 ZINC000413348778 477640943 /nfs/dbraw/zinc/64/09/43/477640943.db2.gz DZDIUOZEAHDEKK-SKDRFNHKSA-N 0 0 335.389 2.958 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@H](CO)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000413350778 477642133 /nfs/dbraw/zinc/64/21/33/477642133.db2.gz KLMVXGXKIKXVEL-BJJXKVORSA-N 0 0 335.404 2.848 10 5 EFBERN C[C@H]1CCOCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367719948 477654526 /nfs/dbraw/zinc/65/45/26/477654526.db2.gz JAKUDDMDLIOFMR-NSHDSACASA-N 0 0 347.396 2.969 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455497833 477661264 /nfs/dbraw/zinc/66/12/64/477661264.db2.gz UTSHPDIPFHUVCK-GOEBONIOSA-N 0 0 347.415 2.909 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000377144256 477663790 /nfs/dbraw/zinc/66/37/90/477663790.db2.gz ZTIKTLVVNIFMTK-FHSNZYRGSA-N 0 0 348.399 2.960 10 5 EFBERN Cc1cc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)ncc1[N+](=O)[O-] ZINC000450660056 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ZINC000377292449 477726646 /nfs/dbraw/zinc/72/66/46/477726646.db2.gz QXLULUALDKGZIF-CQSZACIVSA-N 0 0 341.367 2.703 10 5 EFBERN CC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(=O)[O-] ZINC000426657102 477734587 /nfs/dbraw/zinc/73/45/87/477734587.db2.gz LNKZKAUHJYFPQP-VIFPVBQESA-N 0 0 332.303 2.787 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nnc(C3CC3)s2)c1 ZINC000413589443 477741002 /nfs/dbraw/zinc/74/10/02/477741002.db2.gz XGXODJDIDAQDSM-UHFFFAOYSA-N 0 0 334.357 2.722 10 5 EFBERN Cc1ccc(NC(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000437693635 477741515 /nfs/dbraw/zinc/74/15/15/477741515.db2.gz FHVYEFMXCDDMEQ-UHFFFAOYSA-N 0 0 348.403 2.766 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(F)(F)F)C[C@@H](C)C2)n1 ZINC000450866405 477742634 /nfs/dbraw/zinc/74/26/34/477742634.db2.gz FZBKCEGXIKLEQC-SNVBAGLBSA-N 0 0 346.353 2.927 10 5 EFBERN CCOC(=O)c1cc(N2CCC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000450878440 477747625 /nfs/dbraw/zinc/74/76/25/477747625.db2.gz ILZYJPKRPSYIBR-QGZVFWFLSA-N 0 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EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC12CCC(CC1)CC2 ZINC000451086664 477816162 /nfs/dbraw/zinc/81/61/62/477816162.db2.gz NOBOSULUDSAIPT-UHFFFAOYSA-N 0 0 338.429 2.780 10 5 EFBERN O=C(NC[C@H](O)[C@@H]1CCCO1)c1cc2ccccc2c2cccnc12 ZINC000529766115 477821597 /nfs/dbraw/zinc/82/15/97/477821597.db2.gz LORTWOGMBWZKLJ-ROUUACIJSA-N 0 0 336.391 2.658 10 5 EFBERN COc1ccc(CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000428135988 477826105 /nfs/dbraw/zinc/82/61/05/477826105.db2.gz ALCXXDPHKMXEPN-KBPBESRZSA-N 0 0 333.388 2.935 10 5 EFBERN COc1ccc(NC(=O)[C@H](C)N2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000451110086 477828191 /nfs/dbraw/zinc/82/81/91/477828191.db2.gz BZHLXSZIENHUPL-ZBEGNZNMSA-N 0 0 339.367 2.754 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000438410829 477838704 /nfs/dbraw/zinc/83/87/04/477838704.db2.gz MERNUFRZPXPMHJ-MCIONIFRSA-N 0 0 347.415 2.833 10 5 EFBERN CCn1ccnc1[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456349039 477876821 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O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC2)nc1OCc1ccccc1 ZINC000462694372 477914556 /nfs/dbraw/zinc/91/45/56/477914556.db2.gz CJEDZEHNRKBFTI-OAHLLOKOSA-N 0 0 343.383 2.829 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC(=O)OC(C)C ZINC000439128872 477932308 /nfs/dbraw/zinc/93/23/08/477932308.db2.gz HXPHGBFHSUSAHP-UHFFFAOYSA-N 0 0 328.752 2.628 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](CO)C2CCCCC2)c1 ZINC000558967124 477947609 /nfs/dbraw/zinc/94/76/09/477947609.db2.gz XBUZPFPPZXGDKZ-CQSZACIVSA-N 0 0 336.388 2.982 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000428667528 477954156 /nfs/dbraw/zinc/95/41/56/477954156.db2.gz NGIBGGNSOKYJLV-GFCCVEGCSA-N 0 0 328.324 2.666 10 5 EFBERN CCCc1ncc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)o1 ZINC000456499657 477956483 /nfs/dbraw/zinc/95/64/83/477956483.db2.gz ITXZUVYSCBJTRJ-UHFFFAOYSA-N 0 0 342.355 2.806 10 5 EFBERN Cc1ccncc1S(=O)(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000451342862 477964903 /nfs/dbraw/zinc/96/49/03/477964903.db2.gz OPEBUKDZXBXLCF-UHFFFAOYSA-N 0 0 347.396 2.652 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428717729 477966969 /nfs/dbraw/zinc/96/69/69/477966969.db2.gz DBMWBMXGDFIHHQ-SWLSCSKDSA-N 0 0 339.342 2.819 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428717725 477967397 /nfs/dbraw/zinc/96/73/97/477967397.db2.gz DBMWBMXGDFIHHQ-DOMZBBRYSA-N 0 0 339.342 2.819 10 5 EFBERN Cc1ncc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000439413252 477972035 /nfs/dbraw/zinc/97/20/35/477972035.db2.gz WMXOEVPCLKPCGE-UHFFFAOYSA-N 0 0 341.371 2.935 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1COCC1(C)C ZINC000456538097 477972786 /nfs/dbraw/zinc/97/27/86/477972786.db2.gz KGHWQOACNZVPED-TVQRCGJNSA-N 0 0 342.779 2.557 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456548147 477977112 /nfs/dbraw/zinc/97/71/12/477977112.db2.gz QZTBKIPVFZZEOJ-CYBMUJFWSA-N 0 0 347.396 2.873 10 5 EFBERN CC1(C)COC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456549194 477977450 /nfs/dbraw/zinc/97/74/50/477977450.db2.gz RZSWIWQDEYHIDU-NSHDSACASA-N 0 0 332.278 2.768 10 5 EFBERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)NCc1cccc([N+](=O)[O-])c1 ZINC000532734732 477981991 /nfs/dbraw/zinc/98/19/91/477981991.db2.gz YAGIBUAEDZBLGA-HOCLYGCPSA-N 0 0 335.404 2.725 10 5 EFBERN CNc1ccc(C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000532753035 477983651 /nfs/dbraw/zinc/98/36/51/477983651.db2.gz HADRZOKZASZLDG-BLLLJJGKSA-N 0 0 335.404 2.698 10 5 EFBERN CCc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1OC ZINC000456590316 477995621 /nfs/dbraw/zinc/99/56/21/477995621.db2.gz FITLEDXWLGFNHM-UHFFFAOYSA-N 0 0 332.360 2.736 10 5 EFBERN COc1ccc(-c2ccc(CN3CC(C)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459619953 478013704 /nfs/dbraw/zinc/01/37/04/478013704.db2.gz JWJBQVBOWPENQP-UHFFFAOYSA-N 0 0 332.356 2.678 10 5 EFBERN CC(C)c1ccc(C(=O)NCc2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000439753711 478024770 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COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000560370169 478058758 /nfs/dbraw/zinc/05/87/58/478058758.db2.gz MHOVDRYPLPUWRW-CQSZACIVSA-N 0 0 342.351 2.655 10 5 EFBERN CC[C@@H](NC(=O)CNC(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000487853511 478080244 /nfs/dbraw/zinc/08/02/44/478080244.db2.gz BRRKWTQQTCHKMX-MRXNPFEDSA-N 0 0 347.415 2.859 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000487870896 478081007 /nfs/dbraw/zinc/08/10/07/478081007.db2.gz HVQSJDMDLQGJGV-OAHLLOKOSA-N 0 0 342.355 2.967 10 5 EFBERN O=c1c2ccccc2n(Cc2nc(C3CCCC3)no2)cc1[N+](=O)[O-] ZINC000487897586 478083180 /nfs/dbraw/zinc/08/31/80/478083180.db2.gz NAKPOWDIBHHYHF-UHFFFAOYSA-N 0 0 340.339 2.999 10 5 EFBERN O=[N+]([O-])c1cc(CN2CC3CC2(C(F)(F)F)C3)c2c(c1)COCO2 ZINC000459776153 478084890 /nfs/dbraw/zinc/08/48/90/478084890.db2.gz RBUNGYFMOMNSLU-UHFFFAOYSA-N 0 0 344.289 2.988 10 5 EFBERN COC(=O)c1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])oc1C ZINC000487910638 478085373 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C[C@@H](CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCO1 ZINC000597364097 478313290 /nfs/dbraw/zinc/31/32/90/478313290.db2.gz JWGRUKBFGWHEIO-XHDPSFHLSA-N 0 0 329.356 2.709 10 5 EFBERN CCC(C)(C)OC1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000600268918 478316118 /nfs/dbraw/zinc/31/61/18/478316118.db2.gz JYPMGEJAPWBMQS-UHFFFAOYSA-N 0 0 342.342 2.832 10 5 EFBERN CCC(C)(C)OC1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000600268617 478316520 /nfs/dbraw/zinc/31/65/20/478316520.db2.gz XJYFLYXBIWVZJK-UHFFFAOYSA-N 0 0 336.388 2.780 10 5 EFBERN COC(=O)[C@]1(NC(=O)c2cc([N+](=O)[O-])cnc2C)CCCC(C)(C)C1 ZINC000600276431 478318901 /nfs/dbraw/zinc/31/89/01/478318901.db2.gz CHDNBKHIHQHJRJ-KRWDZBQOSA-N 0 0 349.387 2.540 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600279468 478320780 /nfs/dbraw/zinc/32/07/80/478320780.db2.gz QZFOMGNQJAGSKU-MNOVXSKESA-N 0 0 332.385 2.581 10 5 EFBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1OC ZINC000570267266 478322370 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Cc1ccnc([C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000594369855 478346095 /nfs/dbraw/zinc/34/60/95/478346095.db2.gz WVIOGYSLYGVUFC-AWEZNQCLSA-N 0 0 343.358 2.996 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(C)C)C1(CO)CC=CC1 ZINC000594374743 478348515 /nfs/dbraw/zinc/34/85/15/478348515.db2.gz AVGQKRAXNBZXNS-MRXNPFEDSA-N 0 0 332.400 2.986 10 5 EFBERN CC(C)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000594375644 478349904 /nfs/dbraw/zinc/34/99/04/478349904.db2.gz FZOAODQDGIHRAR-QGZVFWFLSA-N 0 0 332.400 2.607 10 5 EFBERN COc1ccc(C(=O)N[C@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000594376823 478350286 /nfs/dbraw/zinc/35/02/86/478350286.db2.gz ONCRPNYSCXYPSG-MRXNPFEDSA-N 0 0 348.399 2.687 10 5 EFBERN Cc1c(CC(=O)N[C@H](C(C)C)C2(CO)CC=CC2)cccc1[N+](=O)[O-] ZINC000594377673 478351586 /nfs/dbraw/zinc/35/15/86/478351586.db2.gz ZKLFWABNQGNQNS-GOSISDBHSA-N 0 0 346.427 2.915 10 5 EFBERN COc1c(C(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)cccc1[N+](=O)[O-] ZINC000594377734 478351731 /nfs/dbraw/zinc/35/17/31/478351731.db2.gz RBZATIXARZLLAU-INIZCTEOSA-N 0 0 348.399 2.687 10 5 EFBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC2(CC2(F)F)C1 ZINC000594379358 478352152 /nfs/dbraw/zinc/35/21/52/478352152.db2.gz DJPUUHJZTQKKQR-UHFFFAOYSA-N 0 0 337.326 2.676 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC3(CC3(F)F)C2)cc1SC ZINC000594380366 478352236 /nfs/dbraw/zinc/35/22/36/478352236.db2.gz RAWHMLSEIIVBFJ-UHFFFAOYSA-N 0 0 344.339 2.807 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CC2(F)F)C1 ZINC000594380978 478352379 /nfs/dbraw/zinc/35/23/79/478352379.db2.gz XQRKHYOYTHODSU-VIFPVBQESA-N 0 0 328.340 2.943 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(CC2(F)F)C1 ZINC000594380977 478352643 /nfs/dbraw/zinc/35/26/43/478352643.db2.gz XQRKHYOYTHODSU-SECBINFHSA-N 0 0 328.340 2.943 10 5 EFBERN CC1(C)CCC[C@@](CO)(NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000600362079 478352742 /nfs/dbraw/zinc/35/27/42/478352742.db2.gz KJZRUTBXQUPURX-GOSISDBHSA-N 0 0 334.416 2.975 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC(Cc2ccco2)C1 ZINC000600370692 478357327 /nfs/dbraw/zinc/35/73/27/478357327.db2.gz UNWCRFQCTZOAER-DLBZAZTESA-N 0 0 326.352 2.992 10 5 EFBERN CCO[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600368555 478357674 /nfs/dbraw/zinc/35/76/74/478357674.db2.gz VNBODFPGPOVLPY-YPMHNXCESA-N 0 0 332.278 2.911 10 5 EFBERN COc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000600369198 478357775 /nfs/dbraw/zinc/35/77/75/478357775.db2.gz MFEFNRGHRUFVAV-UHFFFAOYSA-N 0 0 333.319 2.803 10 5 EFBERN Cn1ncc(C2CCC2)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000597449343 478358258 /nfs/dbraw/zinc/35/82/58/478358258.db2.gz HXJGZRSROMTIRL-UHFFFAOYSA-N 0 0 328.372 2.568 10 5 EFBERN CCC(F)(F)CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000600379391 478358647 /nfs/dbraw/zinc/35/86/47/478358647.db2.gz JMHACZMUXFUGCT-UHFFFAOYSA-N 0 0 348.371 2.998 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)NCC(F)(F)CC)cc1OC ZINC000600380122 478358929 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CCOC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCCC1 ZINC000594410588 478370026 /nfs/dbraw/zinc/37/00/26/478370026.db2.gz JRIDTFRARIHBKR-CQSZACIVSA-N 0 0 337.376 2.555 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000490681691 478370268 /nfs/dbraw/zinc/37/02/68/478370268.db2.gz MTIWWVUBUVVIQF-GFCCVEGCSA-N 0 0 332.335 2.580 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2(C)C)n1 ZINC000600425753 478372214 /nfs/dbraw/zinc/37/22/14/478372214.db2.gz JKFURFRMPOCXAP-ZDUSSCGKSA-N 0 0 346.362 2.876 10 5 EFBERN CNc1ccc(C(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594414457 478372352 /nfs/dbraw/zinc/37/23/52/478372352.db2.gz KWQKIJOEXHSUPC-ZDUSSCGKSA-N 0 0 333.388 2.858 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC2(C1)CCOCC2 ZINC000597483540 478372607 /nfs/dbraw/zinc/37/26/07/478372607.db2.gz DWESNHYCSYEKDC-UHFFFAOYSA-N 0 0 344.289 2.866 10 5 EFBERN CC(C)C[C@H](C)OCCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000538683536 478372754 /nfs/dbraw/zinc/37/27/54/478372754.db2.gz RQFXBIHBGQJEDX-ZDUSSCGKSA-N 0 0 335.404 2.716 10 5 EFBERN C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594422558 478376925 /nfs/dbraw/zinc/37/69/25/478376925.db2.gz RVBCDHWGALVWRU-QMMMGPOBSA-N 0 0 329.303 2.639 10 5 EFBERN COc1ccc(NC(=O)C2(C(F)(F)F)CCOCC2)cc1[N+](=O)[O-] ZINC000597492665 478377197 /nfs/dbraw/zinc/37/71/97/478377197.db2.gz UNHVWYMSEACJHU-UHFFFAOYSA-N 0 0 348.277 2.901 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600443295 478377820 /nfs/dbraw/zinc/37/78/20/478377820.db2.gz HRFDJIFKQYCTIZ-JRATXPSKSA-N 0 0 347.415 2.737 10 5 EFBERN CC(=O)[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(C)C ZINC000570514304 478378453 /nfs/dbraw/zinc/37/84/53/478378453.db2.gz ILWVCVXXSAXLAR-CYBMUJFWSA-N 0 0 335.385 2.547 10 5 EFBERN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ncon1 ZINC000522059115 478382087 /nfs/dbraw/zinc/38/20/87/478382087.db2.gz ACLZSCTXZMNTAE-SNVBAGLBSA-N 0 0 334.335 2.555 10 5 EFBERN COc1ccc(C(=O)NC2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590883784 478383507 /nfs/dbraw/zinc/38/35/07/478383507.db2.gz ARAHRCZTYGYUNO-UHFFFAOYSA-N 0 0 344.314 2.884 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000600476437 478386019 /nfs/dbraw/zinc/38/60/19/478386019.db2.gz OAYDFEQVZMJQRO-CYBMUJFWSA-N 0 0 346.362 2.876 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cccc(F)c3)C2(C)C)n1 ZINC000600476376 478386310 /nfs/dbraw/zinc/38/63/10/478386310.db2.gz NOXLRSXDZSVOPQ-ZDUSSCGKSA-N 0 0 346.362 2.876 10 5 EFBERN Cc1cc(OCC(=O)NCC(=O)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000600486421 478389603 /nfs/dbraw/zinc/38/96/03/478389603.db2.gz MEHSXXXGFZRNRM-UHFFFAOYSA-N 0 0 334.372 2.548 10 5 EFBERN COc1cc(C(=O)NCC(=O)C2(C)CCCC2)cc([N+](=O)[O-])c1C ZINC000600486558 478390020 /nfs/dbraw/zinc/39/00/20/478390020.db2.gz NJUOIDBZEBOIBM-UHFFFAOYSA-N 0 0 334.372 2.791 10 5 EFBERN C/C=C\CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC ZINC000600494109 478392578 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2.679 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000600523639 478401860 /nfs/dbraw/zinc/40/18/60/478401860.db2.gz YIYSRBVVAAXSDO-ZFWWWQNUSA-N 0 0 334.372 2.679 10 5 EFBERN COC(=O)[C@](C)(NC(=O)CCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000600529941 478402832 /nfs/dbraw/zinc/40/28/32/478402832.db2.gz QXHYUEUZGGIIKK-OAHLLOKOSA-N 0 0 344.314 2.535 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)C[C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600532519 478403875 /nfs/dbraw/zinc/40/38/75/478403875.db2.gz CHLOZYGTUJHCIR-ACJLOTCBSA-N 0 0 346.383 2.846 10 5 EFBERN O=[N+]([O-])c1cc2cnn(CCOC3CCOCC3)c2c(Cl)c1 ZINC000600534352 478404093 /nfs/dbraw/zinc/40/40/93/478404093.db2.gz OXRZFOYOWICZFO-UHFFFAOYSA-N 0 0 325.752 2.794 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000594480170 478404701 /nfs/dbraw/zinc/40/47/01/478404701.db2.gz LMNAPELAYBFXMT-HAQNSBGRSA-N 0 0 342.417 2.528 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594479630 478404806 /nfs/dbraw/zinc/40/48/06/478404806.db2.gz DUOINNYDLBMVNQ-AULYBMBSSA-N 0 0 342.417 2.528 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594480438 478404986 /nfs/dbraw/zinc/40/49/86/478404986.db2.gz QUILKXSRUKHRHQ-HAQNSBGRSA-N 0 0 342.417 2.528 10 5 EFBERN Cc1sc(S(=O)(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594480268 478405040 /nfs/dbraw/zinc/40/50/40/478405040.db2.gz OZCNGXAHVBCPFD-MGCOHNPYSA-N 0 0 348.446 2.589 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)[C@@H]1C[C@H]1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000600538655 478405285 /nfs/dbraw/zinc/40/52/85/478405285.db2.gz UVVPNOBEVBBSTO-DWQUBVKVSA-N 0 0 348.399 2.781 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)C1=CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600537928 478405567 /nfs/dbraw/zinc/40/55/67/478405567.db2.gz QQBNQXAKXKPBCI-SFHVURJKSA-N 0 0 346.383 2.990 10 5 EFBERN COC(=O)[C@](C)(NC(=O)[C@H]1C[C@]1(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000600539133 478405589 /nfs/dbraw/zinc/40/55/89/478405589.db2.gz YJXXMQSNVJBTAL-ZTFGCOKTSA-N 0 0 348.399 2.781 10 5 EFBERN CCCC[C@@H](C)C(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600537474 478405855 /nfs/dbraw/zinc/40/58/55/478405855.db2.gz NKLAFVXIBJVTFT-SJKOYZFVSA-N 0 0 336.388 2.926 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)CC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600540438 478406455 /nfs/dbraw/zinc/40/64/55/478406455.db2.gz HYAVZDYINYYTKR-SFHVURJKSA-N 0 0 346.383 2.990 10 5 EFBERN COC(=O)[C@](C)(NC(=O)[C@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000600542191 478406531 /nfs/dbraw/zinc/40/65/31/478406531.db2.gz ZFYYNTSFQKWKOG-RHSMWYFYSA-N 0 0 346.383 2.680 10 5 EFBERN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCCCO1 ZINC000594487165 478406789 /nfs/dbraw/zinc/40/67/89/478406789.db2.gz LECLAMMZMQAOEV-CMPLNLGQSA-N 0 0 348.446 2.591 10 5 EFBERN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594485666 478407503 /nfs/dbraw/zinc/40/75/03/478407503.db2.gz BJKFNMLUQRLOMG-JSGCOSHPSA-N 0 0 342.417 2.529 10 5 EFBERN CCCN(CC(F)(F)F)C(=O)CNc1cc([N+](=O)[O-])ccc1OC ZINC000600544503 478409642 /nfs/dbraw/zinc/40/96/42/478409642.db2.gz JEHKWQGNZDBNAP-UHFFFAOYSA-N 0 0 349.309 2.816 10 5 EFBERN CC1(C)C[C@H](SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CO1 ZINC000600572324 478424450 /nfs/dbraw/zinc/42/44/50/478424450.db2.gz MDFHTLLHDUZMIG-ZDUSSCGKSA-N 0 0 336.413 2.785 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(CCCc3c(F)cccc3F)no2)n1 ZINC000594531527 478427710 /nfs/dbraw/zinc/42/77/10/478427710.db2.gz SQVYNZJRWJHGMJ-UHFFFAOYSA-N 0 0 349.297 2.832 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3OCc4ccccc43)n2)n1C ZINC000594540780 478431092 /nfs/dbraw/zinc/43/10/92/478431092.db2.gz TYACFDWGLOLTIK-LBPRGKRZSA-N 0 0 341.327 2.501 10 5 EFBERN CCOc1ccc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000597616196 478434805 /nfs/dbraw/zinc/43/48/05/478434805.db2.gz GZYSVAOMQRUPMC-GJZGRUSLSA-N 0 0 341.367 2.922 10 5 EFBERN COc1c(C)ncnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594554412 478435285 /nfs/dbraw/zinc/43/52/85/478435285.db2.gz IQNHUCKCUSLYDY-UHFFFAOYSA-N 0 0 344.371 2.750 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC000597639341 478443850 /nfs/dbraw/zinc/44/38/50/478443850.db2.gz KRZADTDVNYUBMY-GOSISDBHSA-N 0 0 334.416 2.927 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000594575803 478444502 /nfs/dbraw/zinc/44/45/02/478444502.db2.gz TZTBCIUBMVZZJQ-SFHVURJKSA-N 0 0 339.351 2.704 10 5 EFBERN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1F ZINC000594577600 478446131 /nfs/dbraw/zinc/44/61/31/478446131.db2.gz TWHZNMMWFOVBLB-RYUDHWBXSA-N 0 0 341.358 2.755 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000581835040 478448739 /nfs/dbraw/zinc/44/87/39/478448739.db2.gz KNUNHMQKXATTRE-MELADBBJSA-N 0 0 333.388 2.662 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)[C@@H]1SC ZINC000594585802 478449060 /nfs/dbraw/zinc/44/90/60/478449060.db2.gz HOZJUDODAFGWQB-QKCSRTOESA-N 0 0 341.433 2.520 10 5 EFBERN CCO[C@@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000600634795 478449813 /nfs/dbraw/zinc/44/98/13/478449813.db2.gz HFIKZLHVRXDWAL-HNNXBMFYSA-N 0 0 342.417 2.768 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000594589079 478450168 /nfs/dbraw/zinc/45/01/68/478450168.db2.gz BPKOABBHZFMNBU-KBPBESRZSA-N 0 0 335.360 2.536 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCc3ccccc3NC2=O)n1 ZINC000594589013 478450436 /nfs/dbraw/zinc/45/04/36/478450436.db2.gz BDUNWKGQKNNHLT-AWEZNQCLSA-N 0 0 326.356 2.972 10 5 EFBERN CC1(C)OC[C@@H]2C[C@@]21C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597657181 478450535 /nfs/dbraw/zinc/45/05/35/478450535.db2.gz BVJNDZUDPDBGIX-SGTLLEGYSA-N 0 0 343.383 2.550 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000594589082 478450854 /nfs/dbraw/zinc/45/08/54/478450854.db2.gz BPKOABBHZFMNBU-UONOGXRCSA-N 0 0 335.360 2.536 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)nc1 ZINC000581863542 478452126 /nfs/dbraw/zinc/45/21/26/478452126.db2.gz KGJIBXPELZMGLJ-UHFFFAOYSA-N 0 0 335.226 2.703 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594590095 478452398 /nfs/dbraw/zinc/45/23/98/478452398.db2.gz SNMNJQYOFKYBSJ-AWEZNQCLSA-N 0 0 340.343 2.725 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000594593408 478453748 /nfs/dbraw/zinc/45/37/48/478453748.db2.gz BECCDRCKDWBHKD-KYZUINATSA-N 0 0 348.446 2.818 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594593847 478453989 /nfs/dbraw/zinc/45/39/89/478453989.db2.gz DZJPFQMMMSNFHS-CQSZACIVSA-N 0 0 334.372 2.919 10 5 EFBERN COC[C@@H](CC(C)(C)C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000594598315 478457284 /nfs/dbraw/zinc/45/72/84/478457284.db2.gz HWOCPHBNQPAXBQ-LLVKDONJSA-N 0 0 339.392 2.948 10 5 EFBERN NC(=O)c1ccc(N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000594599187 478457415 /nfs/dbraw/zinc/45/74/15/478457415.db2.gz DRKPKKUMKVIIRR-CABZTGNLSA-N 0 0 347.293 2.606 10 5 EFBERN COC(=O)c1cnc(NC[C@@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])c1 ZINC000594599844 478458642 /nfs/dbraw/zinc/45/86/42/478458642.db2.gz NVPSNTJJKQZEOG-LBPRGKRZSA-N 0 0 335.360 2.680 10 5 EFBERN CC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594599969 478458664 /nfs/dbraw/zinc/45/86/64/478458664.db2.gz KVRCFTFZQOGRFG-MWLCHTKSSA-N 0 0 348.446 2.819 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)OC3(CCCCC3)C2)n1 ZINC000594600405 478458722 /nfs/dbraw/zinc/45/87/22/478458722.db2.gz QKPSTPWIKXGAKV-GFCCVEGCSA-N 0 0 349.387 2.704 10 5 EFBERN C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594599934 478459702 /nfs/dbraw/zinc/45/97/02/478459702.db2.gz KPMUQLNQGGUBIN-MRVPVSSYSA-N 0 0 328.319 2.715 10 5 EFBERN CC(C)N(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc2c1=O)C(C)C ZINC000563135273 478459919 /nfs/dbraw/zinc/45/99/19/478459919.db2.gz KJMPNWBNVSQGPN-UHFFFAOYSA-N 0 0 331.372 2.555 10 5 EFBERN COc1cc(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000597687632 478463249 /nfs/dbraw/zinc/46/32/49/478463249.db2.gz GRQWCUFWQRFKTR-UHFFFAOYSA-N 0 0 329.356 2.592 10 5 EFBERN CCc1ccc(C2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000600681984 478466972 /nfs/dbraw/zinc/46/69/72/478466972.db2.gz LKMLHEQXKKKUEO-UHFFFAOYSA-N 0 0 342.399 2.911 10 5 EFBERN C[C@@H]1CCCC[C@H]1N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600681391 478467230 /nfs/dbraw/zinc/46/72/30/478467230.db2.gz IQVYJJOMXBXLEW-JDSLSITLSA-N 0 0 331.372 2.941 10 5 EFBERN C[C@@H]1CCCC[C@H]1N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600681395 478467730 /nfs/dbraw/zinc/46/77/30/478467730.db2.gz IQVYJJOMXBXLEW-ZLENFMNRSA-N 0 0 331.372 2.941 10 5 EFBERN Cn1c(C(=O)NCc2csc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000600683780 478467795 /nfs/dbraw/zinc/46/77/95/478467795.db2.gz SRXQDICGBYFXJT-UHFFFAOYSA-N 0 0 333.291 2.944 10 5 EFBERN Cc1ccc(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000600687673 478468622 /nfs/dbraw/zinc/46/86/22/478468622.db2.gz WBPDBMQHZMCTJA-MRXNPFEDSA-N 0 0 345.380 2.932 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@@H]2CC=CCC2)C1=O ZINC000600687302 478469380 /nfs/dbraw/zinc/46/93/80/478469380.db2.gz LAFXNPXQOSRGOC-SJKOYZFVSA-N 0 0 329.356 2.718 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3sc(Cl)cc3C2)n1 ZINC000563176170 478470178 /nfs/dbraw/zinc/47/01/78/478470178.db2.gz RWTYQHUWNXVPQA-UHFFFAOYSA-N 0 0 340.792 2.725 10 5 EFBERN C[C@H](C1CCCC1)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600693225 478472172 /nfs/dbraw/zinc/47/21/72/478472172.db2.gz FLWZFYSQDYRVGO-PIGZYNQJSA-N 0 0 331.372 2.941 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2(C3CC3)CCC2)C1=O ZINC000600693615 478472556 /nfs/dbraw/zinc/47/25/56/478472556.db2.gz GJNOHGVYBTVUGL-KRWDZBQOSA-N 0 0 343.383 2.942 10 5 EFBERN C[C@@H](CCC1CC1)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600698160 478474193 /nfs/dbraw/zinc/47/41/93/478474193.db2.gz VFNSXHXDUXOXAW-GTNSWQLSSA-N 0 0 331.372 2.941 10 5 EFBERN C[C@H](CC(F)F)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600704365 478475283 /nfs/dbraw/zinc/47/52/83/478475283.db2.gz NSXJLNBIDOMVLZ-PSLIRLAXSA-N 0 0 341.314 2.653 10 5 EFBERN CCC[C@H](CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)OCC ZINC000600703891 478475550 /nfs/dbraw/zinc/47/55/50/478475550.db2.gz UOWOGMGQMYRHAK-RHSMWYFYSA-N 0 0 349.387 2.567 10 5 EFBERN C[C@@H]1CCC[C@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600706783 478476992 /nfs/dbraw/zinc/47/69/92/478476992.db2.gz UDMTVFVHXRLTMN-PEBVRCNWSA-N 0 0 331.372 2.798 10 5 EFBERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc21 ZINC000600711368 478478967 /nfs/dbraw/zinc/47/89/67/478478967.db2.gz SMEOGBWEPWVQTR-JTQLQIEISA-N 0 0 342.355 2.656 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCC[C@@H]3C[C@@H]32)C1=O ZINC000600709407 478479599 /nfs/dbraw/zinc/47/95/99/478479599.db2.gz XVTLHLLWBXJVDS-GRHWWUNPSA-N 0 0 329.356 2.550 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCCC2(F)F)C1=O ZINC000600713009 478479954 /nfs/dbraw/zinc/47/99/54/478479954.db2.gz LMLYTMUFUVQDHH-FZMZJTMJSA-N 0 0 339.298 2.550 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCCC2(F)F)C1=O ZINC000600713011 478480291 /nfs/dbraw/zinc/48/02/91/478480291.db2.gz LMLYTMUFUVQDHH-SMDDNHRTSA-N 0 0 339.298 2.550 10 5 EFBERN O=C(Cc1ccc(=O)[nH]c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597722360 478480319 /nfs/dbraw/zinc/48/03/19/478480319.db2.gz DEKZTZQVTMQSDT-HNNXBMFYSA-N 0 0 341.367 2.644 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC2(F)CCC2)C1=O ZINC000600713397 478480353 /nfs/dbraw/zinc/48/03/53/478480353.db2.gz OGBHVXNQQOBQNL-HNNXBMFYSA-N 0 0 335.335 2.644 10 5 EFBERN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc21 ZINC000600712752 478481131 /nfs/dbraw/zinc/48/11/31/478481131.db2.gz XSSGPEDNWQTQPG-VIFPVBQESA-N 0 0 328.328 2.645 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cn[nH]c1 ZINC000597725831 478481463 /nfs/dbraw/zinc/48/14/63/478481463.db2.gz BMGULAPVDQSQGP-HNNXBMFYSA-N 0 0 341.371 2.870 10 5 EFBERN Cc1cc(NC(=O)C(=O)NCC(C)(C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000563207205 478482265 /nfs/dbraw/zinc/48/22/65/478482265.db2.gz MTRFHYHCHNOKFY-UHFFFAOYSA-N 0 0 347.293 2.546 10 5 EFBERN C[C@H](C(=O)N1CCC[C@@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1F ZINC000597729519 478484005 /nfs/dbraw/zinc/48/40/05/478484005.db2.gz KMYAARRKJWJTAA-ZUZCIYMTSA-N 0 0 332.335 2.924 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729776 478484063 /nfs/dbraw/zinc/48/40/63/478484063.db2.gz OWHSOQLPEVQZBA-AWEZNQCLSA-N 0 0 336.298 2.502 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1cn[nH]c1 ZINC000597729754 478484736 /nfs/dbraw/zinc/48/47/36/478484736.db2.gz OLYRKWANCQJZGO-INIZCTEOSA-N 0 0 339.355 2.636 10 5 EFBERN CN1CCO[C@H](CSc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000582000598 478486958 /nfs/dbraw/zinc/48/69/58/478486958.db2.gz SOWZOFIMBNPEQJ-VIFPVBQESA-N 0 0 334.344 2.619 10 5 EFBERN CC(C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000597758798 478494068 /nfs/dbraw/zinc/49/40/68/478494068.db2.gz WFXSIQDONLLINW-UHFFFAOYSA-N 0 0 343.261 2.919 10 5 EFBERN CC(C)C1(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000591243891 478498070 /nfs/dbraw/zinc/49/80/70/478498070.db2.gz LMOCWEYHVYTWFN-INIZCTEOSA-N 0 0 331.372 2.798 10 5 EFBERN CN1CCc2cc(NCCc3ccc([N+](=O)[O-])cc3)ccc2C1=O ZINC000594708190 478505697 /nfs/dbraw/zinc/50/56/97/478505697.db2.gz UBFCVYSKPNEOJD-UHFFFAOYSA-N 0 0 325.368 2.878 10 5 EFBERN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cscn1 ZINC000594710369 478507663 /nfs/dbraw/zinc/50/76/63/478507663.db2.gz IDIQRXSWDHWNBT-GWCFXTLKSA-N 0 0 332.385 2.507 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000600762008 478508522 /nfs/dbraw/zinc/50/85/22/478508522.db2.gz UGOKKTKQOYFJFV-UHFFFAOYSA-N 0 0 334.401 2.818 10 5 EFBERN COc1cc(C(=O)N2CC(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000600762125 478508906 /nfs/dbraw/zinc/50/89/06/478508906.db2.gz DGGPEFFKVADSCQ-UHFFFAOYSA-N 0 0 332.381 2.980 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600772298 478513882 /nfs/dbraw/zinc/51/38/82/478513882.db2.gz IKNJPWMCOJFQJL-OAHLLOKOSA-N 0 0 326.352 2.859 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600774350 478513901 /nfs/dbraw/zinc/51/39/01/478513901.db2.gz PJPMNTSVCUTXNS-HNNXBMFYSA-N 0 0 326.352 2.859 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600774351 478514252 /nfs/dbraw/zinc/51/42/52/478514252.db2.gz PJPMNTSVCUTXNS-OAHLLOKOSA-N 0 0 326.352 2.859 10 5 EFBERN Cc1cc(C2(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CCOCC2)on1 ZINC000600775706 478514768 /nfs/dbraw/zinc/51/47/68/478514768.db2.gz FSFCXMVQJYJLOK-UHFFFAOYSA-N 0 0 345.355 2.635 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H](CCc1ccccc1)C(F)F ZINC000600795254 478525330 /nfs/dbraw/zinc/52/53/30/478525330.db2.gz WSSCRTZKCPRMBJ-LBPRGKRZSA-N 0 0 338.314 2.656 10 5 EFBERN CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744406 478526210 /nfs/dbraw/zinc/52/62/10/478526210.db2.gz JOJTXXXVKYFRDB-CQSZACIVSA-N 0 0 347.396 2.688 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600799234 478526593 /nfs/dbraw/zinc/52/65/93/478526593.db2.gz YDOUAHHBJWAQMB-JGZJWPJOSA-N 0 0 344.820 2.882 10 5 EFBERN CCCN(Cc1ccc(C)cc1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594746087 478527134 /nfs/dbraw/zinc/52/71/34/478527134.db2.gz YLSVYUQKCPPLRQ-UHFFFAOYSA-N 0 0 349.412 2.899 10 5 EFBERN COC[C@]1(C)CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600805644 478527678 /nfs/dbraw/zinc/52/76/78/478527678.db2.gz CAABRJQJCQPFDF-KRWDZBQOSA-N 0 0 336.388 2.596 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000541005209 478528167 /nfs/dbraw/zinc/52/81/67/478528167.db2.gz KKRIHCJMDXDRSM-GJZGRUSLSA-N 0 0 334.420 2.662 10 5 EFBERN COc1cc(OCC(=O)NC[C@H]2CCCC23CC3)ccc1[N+](=O)[O-] ZINC000600805682 478528296 /nfs/dbraw/zinc/52/82/96/478528296.db2.gz SPNHDCVMIATYMV-GFCCVEGCSA-N 0 0 334.372 2.679 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000541005212 478528606 /nfs/dbraw/zinc/52/86/06/478528606.db2.gz KKRIHCJMDXDRSM-LSDHHAIUSA-N 0 0 334.420 2.662 10 5 EFBERN Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594751394 478530298 /nfs/dbraw/zinc/53/02/98/478530298.db2.gz VZEYCOSNQQTPMM-LBPRGKRZSA-N 0 0 335.385 2.680 10 5 EFBERN Cc1n[nH]c(C(=O)NC2(c3c(F)cccc3F)CCC2)c1[N+](=O)[O-] ZINC000600813132 478531067 /nfs/dbraw/zinc/53/10/67/478531067.db2.gz LOTSYHCHMNFKCJ-UHFFFAOYSA-N 0 0 336.298 2.714 10 5 EFBERN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594755603 478531562 /nfs/dbraw/zinc/53/15/62/478531562.db2.gz OZUWSJVFBHLBKC-AWEZNQCLSA-N 0 0 347.396 2.824 10 5 EFBERN Cc1cccc([C@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])c1C ZINC000594754108 478531615 /nfs/dbraw/zinc/53/16/15/478531615.db2.gz PJKKUECXSMGKMI-LBPRGKRZSA-N 0 0 335.385 2.646 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H]1C1CCCCC1 ZINC000594755321 478531667 /nfs/dbraw/zinc/53/16/67/478531667.db2.gz LSAOPSOTNJYTHO-ZDUSSCGKSA-N 0 0 339.417 2.723 10 5 EFBERN CN(CCC1CCCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753903 478531777 /nfs/dbraw/zinc/53/17/77/478531777.db2.gz WHCBHJLBYJKUAU-UHFFFAOYSA-N 0 0 327.406 2.581 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCCC2(CCCCC2)C1 ZINC000594755900 478532062 /nfs/dbraw/zinc/53/20/62/478532062.db2.gz WWHOENGLAGGXCC-UHFFFAOYSA-N 0 0 339.417 2.725 10 5 EFBERN C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cncnc1 ZINC000600816653 478532071 /nfs/dbraw/zinc/53/20/71/478532071.db2.gz FVAHMJVBRBCIMG-CYBMUJFWSA-N 0 0 328.372 2.627 10 5 EFBERN CC(C)C[C@@H]1CCCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758256 478532745 /nfs/dbraw/zinc/53/27/45/478532745.db2.gz IXFIQMYKMROHGS-ZDUSSCGKSA-N 0 0 341.433 2.969 10 5 EFBERN CCCCC[C@@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763754 478534734 /nfs/dbraw/zinc/53/47/34/478534734.db2.gz ACEYGHRRHILITI-GFCCVEGCSA-N 0 0 327.406 2.723 10 5 EFBERN CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764328 478535286 /nfs/dbraw/zinc/53/52/86/478535286.db2.gz KHFRODVZFVUCEA-NWDGAFQWSA-N 0 0 327.406 2.579 10 5 EFBERN CC[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594767844 478535388 /nfs/dbraw/zinc/53/53/88/478535388.db2.gz RUTJQIHCRGGQSU-AWEZNQCLSA-N 0 0 347.396 2.515 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000541113155 478537181 /nfs/dbraw/zinc/53/71/81/478537181.db2.gz LSASNWYMHQXMRR-UHFFFAOYSA-N 0 0 343.339 2.954 10 5 EFBERN COC(=O)Cc1cccc(OC)c1OCCc1ccc([N+](=O)[O-])cc1 ZINC000571178713 478538409 /nfs/dbraw/zinc/53/84/09/478538409.db2.gz NDRCGTMYMKFNKI-UHFFFAOYSA-N 0 0 345.351 2.940 10 5 EFBERN C[C@H]1C[C@H](C(C)(C)C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779804 478538669 /nfs/dbraw/zinc/53/86/69/478538669.db2.gz SFHOHGRGXRJCQX-NWDGAFQWSA-N 0 0 341.433 2.825 10 5 EFBERN Cc1cccc2nc(Cn3c(=O)c([N+](=O)[O-])cc4c3CCCC4)cn21 ZINC000571207132 478543163 /nfs/dbraw/zinc/54/31/63/478543163.db2.gz OKPSYLQLSNCQRE-UHFFFAOYSA-N 0 0 338.367 2.640 10 5 EFBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCCC12CCCCC2 ZINC000594792433 478543543 /nfs/dbraw/zinc/54/35/43/478543543.db2.gz OGFUWGPDLLEPOR-ZDUSSCGKSA-N 0 0 339.417 2.771 10 5 EFBERN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nn1 ZINC000582234893 478545987 /nfs/dbraw/zinc/54/59/87/478545987.db2.gz NMMCSFZCYGBFKP-UHFFFAOYSA-N 0 0 340.261 2.609 10 5 EFBERN COC1CC(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597860852 478546616 /nfs/dbraw/zinc/54/66/16/478546616.db2.gz GYUXLXSRKFVHHC-UHFFFAOYSA-N 0 0 329.356 2.688 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCCC2(CCCC2)CC1 ZINC000594814617 478550300 /nfs/dbraw/zinc/55/03/00/478550300.db2.gz WFCASIIBVSHLDT-UHFFFAOYSA-N 0 0 339.417 2.725 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cncc2c1CCCC2 ZINC000597869393 478553008 /nfs/dbraw/zinc/55/30/08/478553008.db2.gz GHNDLMHCOJBVRV-UHFFFAOYSA-N 0 0 326.356 2.919 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2CCCC23CCCCC3)c1[N+](=O)[O-] ZINC000597875609 478556948 /nfs/dbraw/zinc/55/69/48/478556948.db2.gz ZDMBSQHTHUCUIR-CYBMUJFWSA-N 0 0 332.404 2.686 10 5 EFBERN Cc1cccc2[nH]c(CNc3ccc([N+](=O)[O-])c(OC(C)C)n3)nc21 ZINC000563428287 478558044 /nfs/dbraw/zinc/55/80/44/478558044.db2.gz VWEMWINVZMCABG-UHFFFAOYSA-N 0 0 341.371 2.996 10 5 EFBERN CCCN1C[C@@H](c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000591457084 478559002 /nfs/dbraw/zinc/55/90/02/478559002.db2.gz YHRJPIIDNAIUCP-AAEUAGOBSA-N 0 0 344.371 2.856 10 5 EFBERN Cc1ccc([C@H]2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)cc1 ZINC000591461444 478559642 /nfs/dbraw/zinc/55/96/42/478559642.db2.gz IKPRNRKSBYOGFL-AWEZNQCLSA-N 0 0 325.368 2.996 10 5 EFBERN COC[C@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)OC ZINC000597888054 478559780 /nfs/dbraw/zinc/55/97/80/478559780.db2.gz PEFNHLXPHVPUSX-LBPRGKRZSA-N 0 0 338.385 2.591 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)n1 ZINC000571286950 478561011 /nfs/dbraw/zinc/56/10/11/478561011.db2.gz OKRBIFAYKHOZJG-UHFFFAOYSA-N 0 0 346.343 2.536 10 5 EFBERN C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594853500 478561441 /nfs/dbraw/zinc/56/14/41/478561441.db2.gz YTPWTIANKPWSDT-SNVBAGLBSA-N 0 0 340.735 2.572 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@@]1(C)CC1(F)F ZINC000594856122 478562162 /nfs/dbraw/zinc/56/21/62/478562162.db2.gz FTVAWKCICWPFHA-ZDUSSCGKSA-N 0 0 348.371 2.925 10 5 EFBERN C[C@]1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000594853048 478562180 /nfs/dbraw/zinc/56/21/80/478562180.db2.gz WDGZVVSQRXGUPV-SNVBAGLBSA-N 0 0 340.735 2.572 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NCC[C@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000594857664 478563190 /nfs/dbraw/zinc/56/31/90/478563190.db2.gz NMPKVIMMZZEJKN-CYBMUJFWSA-N 0 0 348.371 2.925 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000594857434 478563309 /nfs/dbraw/zinc/56/33/09/478563309.db2.gz PTFWLPBTDIFTBK-ZDUSSCGKSA-N 0 0 344.408 2.972 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@]2(C)CC2(F)F)c1 ZINC000594858550 478563355 /nfs/dbraw/zinc/56/33/55/478563355.db2.gz SPNZKUONHGHVNM-LBPRGKRZSA-N 0 0 334.344 2.535 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](CCF)C2)cc1C ZINC000594857481 478563415 /nfs/dbraw/zinc/56/34/15/478563415.db2.gz PZOXXHBOUCPBMJ-CYBMUJFWSA-N 0 0 344.408 2.972 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CC2)n1C ZINC000597898695 478564515 /nfs/dbraw/zinc/56/45/15/478564515.db2.gz NVUODRFHLNXAFA-GFCCVEGCSA-N 0 0 343.387 2.808 10 5 EFBERN Cc1cnn(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597898934 478564633 /nfs/dbraw/zinc/56/46/33/478564633.db2.gz SIJPZPYUUTUOAL-VIFPVBQESA-N 0 0 338.751 2.696 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000597919605 478574135 /nfs/dbraw/zinc/57/41/35/478574135.db2.gz OUHUXMHAQVUUFI-JTQLQIEISA-N 0 0 334.351 2.689 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOc2ncccc2C1 ZINC000591533912 478575558 /nfs/dbraw/zinc/57/55/58/478575558.db2.gz JUECRQLSVYYPHG-UHFFFAOYSA-N 0 0 327.340 2.641 10 5 EFBERN CO[C@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CCCC1 ZINC000594893777 478575455 /nfs/dbraw/zinc/57/54/55/478575455.db2.gz JGGOAQHJWBDMJR-CQSZACIVSA-N 0 0 333.344 2.617 10 5 EFBERN CC[C@H](COCC1CC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597922661 478576435 /nfs/dbraw/zinc/57/64/35/478576435.db2.gz KJMJXQYUGXXKKA-LLVKDONJSA-N 0 0 342.342 2.737 10 5 EFBERN CO[C@@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000594900195 478578030 /nfs/dbraw/zinc/57/80/30/478578030.db2.gz YYBQOPFPZDARMK-AWEZNQCLSA-N 0 0 333.344 2.617 10 5 EFBERN C[C@@]1(C2CC2)CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000597924623 478578766 /nfs/dbraw/zinc/57/87/66/478578766.db2.gz RAULHHVVODIKJA-SFHVURJKSA-N 0 0 347.415 2.814 10 5 EFBERN O=C1CCCCN1c1cccnc1-c1cc([N+](=O)[O-])ccc1CCO ZINC000600944912 478579634 /nfs/dbraw/zinc/57/96/34/478579634.db2.gz CTNMJIZMYPBRPZ-UHFFFAOYSA-N 0 0 341.367 2.709 10 5 EFBERN C[C@@]1(C2CC2)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000597925967 478580439 /nfs/dbraw/zinc/58/04/39/478580439.db2.gz YRKYOZMKEJLXOQ-KRWDZBQOSA-N 0 0 329.356 2.717 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@](C)(C3CC3)C2)c1 ZINC000597926008 478581322 /nfs/dbraw/zinc/58/13/22/478581322.db2.gz ZZLMPQGUDLQMBY-INIZCTEOSA-N 0 0 336.413 2.958 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000597930563 478582115 /nfs/dbraw/zinc/58/21/15/478582115.db2.gz CWYMDMKIBYEOQM-SCZZXKLOSA-N 0 0 335.751 2.584 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ncnn21 ZINC000597937427 478586395 /nfs/dbraw/zinc/58/63/95/478586395.db2.gz SBKJFRJZBIUAES-ZWNOBZJWSA-N 0 0 343.387 2.920 10 5 EFBERN CCC(C)(C)[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000597951366 478593478 /nfs/dbraw/zinc/59/34/78/478593478.db2.gz ITFQLAIKYXPGSR-LLVKDONJSA-N 0 0 331.376 2.730 10 5 EFBERN C/C(=C/c1ccccc1)CN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000491612710 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O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1[nH]nc2ccccc21 ZINC000564136507 478698221 /nfs/dbraw/zinc/69/82/21/478698221.db2.gz VYELQAQYLMSRIZ-UHFFFAOYSA-N 0 0 349.350 2.925 10 5 EFBERN C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000598191894 478698514 /nfs/dbraw/zinc/69/85/14/478698514.db2.gz ZIRNHBXNHKFFPZ-IUCAKERBSA-N 0 0 346.305 2.703 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000598199234 478700541 /nfs/dbraw/zinc/70/05/41/478700541.db2.gz OXXQDQINGOPYCM-CTYIDZIISA-N 0 0 342.351 2.700 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000601166645 478700633 /nfs/dbraw/zinc/70/06/33/478700633.db2.gz QZLWTMJGKITTJZ-GOSISDBHSA-N 0 0 345.374 2.951 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000601165477 478701038 /nfs/dbraw/zinc/70/10/38/478701038.db2.gz AWRKKJUEDSXOKZ-KCJUWKMLSA-N 0 0 348.325 2.741 10 5 EFBERN COC[C@]1(CNc2ncc(F)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC000601167001 478701684 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Cc1cccnc1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601171294 478703449 /nfs/dbraw/zinc/70/34/49/478703449.db2.gz LDXJSXPQCWNHLX-UHFFFAOYSA-N 0 0 329.282 2.705 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000601171282 478703537 /nfs/dbraw/zinc/70/35/37/478703537.db2.gz KYSNMQVAAUVBPW-PUXPGTEJSA-N 0 0 342.321 2.996 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000601171916 478704386 /nfs/dbraw/zinc/70/43/86/478704386.db2.gz RMJSPWPYWIEFGF-YUTCNCBUSA-N 0 0 349.366 2.935 10 5 EFBERN C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c2nccn21 ZINC000601171434 478704824 /nfs/dbraw/zinc/70/48/24/478704824.db2.gz LMWOWRSHASXUFI-NKWVEPMBSA-N 0 0 330.270 2.662 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000601171618 478705158 /nfs/dbraw/zinc/70/51/58/478705158.db2.gz PCKHBMPIYVABTP-UWVGGRQHSA-N 0 0 348.325 2.556 10 5 EFBERN Cn1ncc(C2CC2)c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598209805 478705386 /nfs/dbraw/zinc/70/53/86/478705386.db2.gz ATOSHBXRXPSFGB-UHFFFAOYSA-N 0 0 339.355 2.617 10 5 EFBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000598208926 478705544 /nfs/dbraw/zinc/70/55/44/478705544.db2.gz QGJXSYGXFJAQPZ-RDBSUJKOSA-N 0 0 340.383 2.947 10 5 EFBERN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000598208542 478705678 /nfs/dbraw/zinc/70/56/78/478705678.db2.gz OGFOITZZSHMBLW-RDJZCZTQSA-N 0 0 326.352 2.897 10 5 EFBERN C[C@@H]1CCC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)O1 ZINC000598210711 478706242 /nfs/dbraw/zinc/70/62/42/478706242.db2.gz BXCMESNJKZEPCR-DOMZBBRYSA-N 0 0 331.372 2.623 10 5 EFBERN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598210934 478706510 /nfs/dbraw/zinc/70/65/10/478706510.db2.gz ZXMKGJPBYRPPLY-WWGRRREGSA-N 0 0 340.383 2.947 10 5 EFBERN COC(=O)c1cc(C(=O)NCC[C@]2(C)CC2(F)F)cc([N+](=O)[O-])c1 ZINC000598214417 478706840 /nfs/dbraw/zinc/70/68/40/478706840.db2.gz DPPDHWSATGJLGV-CQSZACIVSA-N 0 0 342.298 2.547 10 5 EFBERN CO[C@@](C)([C@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CC1 ZINC000601177339 478707279 /nfs/dbraw/zinc/70/72/79/478707279.db2.gz YAFZDDCEPKWSBX-MADCSZMMSA-N 0 0 336.314 2.963 10 5 EFBERN CO[C@](C)([C@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CC1 ZINC000601177335 478707384 /nfs/dbraw/zinc/70/73/84/478707384.db2.gz YAFZDDCEPKWSBX-JVXZTZIISA-N 0 0 336.314 2.963 10 5 EFBERN C[C@@]1(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000598214140 478707656 /nfs/dbraw/zinc/70/76/56/478707656.db2.gz CHXIHGGIFSROAN-CQSZACIVSA-N 0 0 327.331 2.948 10 5 EFBERN COc1ccnc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1F ZINC000598217527 478708023 /nfs/dbraw/zinc/70/80/23/478708023.db2.gz APWFGPFXEXPWCX-UHFFFAOYSA-N 0 0 347.346 2.732 10 5 EFBERN C[C@@]1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000598216550 478708824 /nfs/dbraw/zinc/70/88/24/478708824.db2.gz QEZSEUYAVXXEFI-AWEZNQCLSA-N 0 0 326.299 2.719 10 5 EFBERN COc1cc(OCC(=O)NCC[C@@]2(C)CC2(F)F)ccc1[N+](=O)[O-] ZINC000598215906 478708857 /nfs/dbraw/zinc/70/88/57/478708857.db2.gz MZVFWHDHWGNRAM-AWEZNQCLSA-N 0 0 344.314 2.534 10 5 EFBERN Cc1c(C(=O)N[C@H](C)C(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000571927423 478709129 /nfs/dbraw/zinc/70/91/29/478709129.db2.gz XGTPWPNBHCEAEJ-LLVKDONJSA-N 0 0 331.376 2.648 10 5 EFBERN C[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000601182850 478710386 /nfs/dbraw/zinc/71/03/86/478710386.db2.gz ZQEJPBYVMQFSKV-PWSUYJOCSA-N 0 0 339.367 2.933 10 5 EFBERN CC[C@@H]1COC(C)(C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601183986 478710805 /nfs/dbraw/zinc/71/08/05/478710805.db2.gz FDKWUAKDLMZYCW-MRVPVSSYSA-N 0 0 336.314 2.741 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@]2(C)CC2(F)F)c1 ZINC000598219966 478711159 /nfs/dbraw/zinc/71/11/59/478711159.db2.gz WVVYRDLFHKKRBF-AWEZNQCLSA-N 0 0 328.315 2.834 10 5 EFBERN COc1ccc(C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)nc1 ZINC000601185717 478711591 /nfs/dbraw/zinc/71/15/91/478711591.db2.gz ZPEJXXFHINMNQV-UHFFFAOYSA-N 0 0 332.335 2.917 10 5 EFBERN COC(=O)c1cc(C(=O)N2CCC[C@@H](CCF)C2)cc([N+](=O)[O-])c1 ZINC000598219701 478711854 /nfs/dbraw/zinc/71/18/54/478711854.db2.gz JAZKGLYGYZOKIV-NSHDSACASA-N 0 0 338.335 2.593 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ncco3)CC2)c1 ZINC000601184567 478712064 /nfs/dbraw/zinc/71/20/64/478712064.db2.gz NAHSMHXEBQEKGD-UHFFFAOYSA-N 0 0 331.328 2.753 10 5 EFBERN C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC2(CCCC2)O1 ZINC000601185782 478712073 /nfs/dbraw/zinc/71/20/73/478712073.db2.gz UKCHETJNYSMRKO-VIFPVBQESA-N 0 0 348.325 2.885 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000598222915 478714054 /nfs/dbraw/zinc/71/40/54/478714054.db2.gz DZVANMXJMDHFNW-RKVPGOIHSA-N 0 0 332.400 2.658 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000598222917 478714271 /nfs/dbraw/zinc/71/42/71/478714271.db2.gz DZVANMXJMDHFNW-VKJFTORMSA-N 0 0 332.400 2.658 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000598223528 478714343 /nfs/dbraw/zinc/71/43/43/478714343.db2.gz IFRIFGVDVLHXJJ-MEDUHNTESA-N 0 0 336.413 2.815 10 5 EFBERN COc1ccc2c(c1)CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C2 ZINC000601188889 478715040 /nfs/dbraw/zinc/71/50/40/478715040.db2.gz CKAYPNHEMGLJCN-UHFFFAOYSA-N 0 0 342.277 2.876 10 5 EFBERN C[C@]12COC[C@@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000598225271 478715502 /nfs/dbraw/zinc/71/55/02/478715502.db2.gz BMWXLYGGQPLFHO-ZBEGNZNMSA-N 0 0 332.381 2.918 10 5 EFBERN Cc1cc(OCC(=O)Nc2ccc3c(c2)CCOC3)ccc1[N+](=O)[O-] ZINC000598228617 478716591 /nfs/dbraw/zinc/71/65/91/478716591.db2.gz XVXYFCTZHRRYHW-UHFFFAOYSA-N 0 0 342.351 2.993 10 5 EFBERN CC(C)(C(=O)N1C[C@H]2COC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598228813 478716830 /nfs/dbraw/zinc/71/68/30/478716830.db2.gz QCPMWPDCVGVHMR-GTNSWQLSSA-N 0 0 336.363 2.506 10 5 EFBERN O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000595291741 478717355 /nfs/dbraw/zinc/71/73/55/478717355.db2.gz RBLKCSBWBKRPKW-UHFFFAOYSA-N 0 0 328.372 2.782 10 5 EFBERN CC(C)(C)C[C@@H](O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601193458 478717839 /nfs/dbraw/zinc/71/78/39/478717839.db2.gz IVPTVKMTRYRQDC-OAHLLOKOSA-N 0 0 334.416 2.930 10 5 EFBERN COc1cc2c(cc1OC)CCN(Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595293490 478717974 /nfs/dbraw/zinc/71/79/74/478717974.db2.gz AHVIUAWBFKMVAI-UHFFFAOYSA-N 0 0 347.371 2.509 10 5 EFBERN COC(=O)c1cc(NC(=O)C2(C(F)F)CCC2)cc([N+](=O)[O-])c1 ZINC000601196822 478718854 /nfs/dbraw/zinc/71/88/54/478718854.db2.gz WHNYQNUFGBZNKX-UHFFFAOYSA-N 0 0 328.271 2.755 10 5 EFBERN O=[N+]([O-])c1ccc2nccc(NCC3(O)CCC(F)(F)CC3)c2c1 ZINC000601196394 478719205 /nfs/dbraw/zinc/71/92/05/478719205.db2.gz JIHPFTGJVAXOJX-UHFFFAOYSA-N 0 0 337.326 2.917 10 5 EFBERN CO[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CCCC1 ZINC000601196601 478719221 /nfs/dbraw/zinc/71/92/21/478719221.db2.gz PFSHAQJRHZQIDP-SECBINFHSA-N 0 0 336.314 2.964 10 5 EFBERN CC(C)(CNc1ncc(Br)cc1[N+](=O)[O-])n1cccn1 ZINC000601198012 478719228 /nfs/dbraw/zinc/71/92/28/478719228.db2.gz LTVFBDRVBRMAAT-UHFFFAOYSA-N 0 0 340.181 2.796 10 5 EFBERN Cc1ccc(CC2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000598233856 478719527 /nfs/dbraw/zinc/71/95/27/478719527.db2.gz BIZSPAXEWASOEP-UHFFFAOYSA-N 0 0 342.399 2.536 10 5 EFBERN Cc1ccn(C)c1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582929581 478719526 /nfs/dbraw/zinc/71/95/26/478719526.db2.gz JQBSVQDLMIAKAV-UHFFFAOYSA-N 0 0 326.356 2.696 10 5 EFBERN COC(=O)c1ccc(F)c2c1CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC000601200620 478719728 /nfs/dbraw/zinc/71/97/28/478719728.db2.gz FARIKSNFYSIGDA-UHFFFAOYSA-N 0 0 349.293 2.617 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCc2c(O)cccc2C1 ZINC000601204099 478721195 /nfs/dbraw/zinc/72/11/95/478721195.db2.gz ZKZTVGAEUUGMCO-UHFFFAOYSA-N 0 0 342.277 2.615 10 5 EFBERN CC[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@]2(CCOC2)O1 ZINC000564323224 478721614 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O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@]12CCC[C@H]1OCC2 ZINC000601413685 478826004 /nfs/dbraw/zinc/82/60/04/478826004.db2.gz GDJYNKVQWDYVHJ-ZBFHGGJFSA-N 0 0 338.791 2.866 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601416138 478826080 /nfs/dbraw/zinc/82/60/80/478826080.db2.gz MGYKCSOYNKGVHK-GFCCVEGCSA-N 0 0 342.442 2.918 10 5 EFBERN CCOC(=O)C12CC(C1)CN2C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000598442008 478826512 /nfs/dbraw/zinc/82/65/12/478826512.db2.gz KXTYFQVIFLACSK-UHFFFAOYSA-N 0 0 346.383 2.886 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000598443247 478827318 /nfs/dbraw/zinc/82/73/18/478827318.db2.gz WFPOVDIWFTVCME-ZUZCIYMTSA-N 0 0 326.780 2.647 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000601424521 478828766 /nfs/dbraw/zinc/82/87/66/478828766.db2.gz LOSMXDRVWKFXCH-ZDUSSCGKSA-N 0 0 329.331 2.834 10 5 EFBERN Cc1cc(S(=O)(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601428829 478830188 /nfs/dbraw/zinc/83/01/88/478830188.db2.gz GEZFYROAXLSCIG-AAEUAGOBSA-N 0 0 342.442 2.774 10 5 EFBERN CC1(C)OCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000598453642 478832746 /nfs/dbraw/zinc/83/27/46/478832746.db2.gz HJIJNACORYKYMA-ZDUSSCGKSA-N 0 0 335.404 2.718 10 5 EFBERN CCOC(=O)[C@H](C)[C@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601435610 478833384 /nfs/dbraw/zinc/83/33/84/478833384.db2.gz RMAKBJYUALLUGN-OLZOCXBDSA-N 0 0 348.399 2.720 10 5 EFBERN CC1(C)OCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598454310 478833543 /nfs/dbraw/zinc/83/35/43/478833543.db2.gz MPKYTTKRGYPDKS-LBPRGKRZSA-N 0 0 331.372 2.550 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])s1 ZINC000601441433 478834567 /nfs/dbraw/zinc/83/45/67/478834567.db2.gz GHTYYKDOCGTNEA-NSHDSACASA-N 0 0 330.431 2.775 10 5 EFBERN COc1c(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cccc1[N+](=O)[O-] ZINC000598459518 478835248 /nfs/dbraw/zinc/83/52/48/478835248.db2.gz SBSFMHRFURKBPJ-NUEKZKHPSA-N 0 0 342.326 2.811 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000598468689 478838679 /nfs/dbraw/zinc/83/86/79/478838679.db2.gz GKMCHRQOWLUTBZ-OAHLLOKOSA-N 0 0 342.399 2.678 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCc2c(C)cccc21 ZINC000598472387 478841785 /nfs/dbraw/zinc/84/17/85/478841785.db2.gz FUOJUNXKYQPIQB-INIZCTEOSA-N 0 0 342.399 2.992 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCc2c(C)cccc21 ZINC000598472388 478842111 /nfs/dbraw/zinc/84/21/11/478842111.db2.gz FUOJUNXKYQPIQB-MRXNPFEDSA-N 0 0 342.399 2.992 10 5 EFBERN C[C@@H]1C(=O)N(C)CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000592257770 478844477 /nfs/dbraw/zinc/84/44/77/478844477.db2.gz IEOIHHIAMCLZPU-SNVBAGLBSA-N 0 0 334.376 2.544 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595544218 478845729 /nfs/dbraw/zinc/84/57/29/478845729.db2.gz NIEYVBJSDPPHGW-RYUDHWBXSA-N 0 0 331.376 2.758 10 5 EFBERN CCC(C)(C)OC1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601473998 478848312 /nfs/dbraw/zinc/84/83/12/478848312.db2.gz MNSSBLMOGHYGKF-UHFFFAOYSA-N 0 0 348.446 2.543 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCCC3(CC3)CC2)c([N+](=O)[O-])s1 ZINC000601475574 478848334 /nfs/dbraw/zinc/84/83/34/478848334.db2.gz GEBIVEGGUVFXNA-UHFFFAOYSA-N 0 0 330.431 2.920 10 5 EFBERN COCCO[C@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000564890397 478848769 /nfs/dbraw/zinc/84/87/69/478848769.db2.gz XRBRVCMXOOJWCD-AWEZNQCLSA-N 0 0 335.404 2.500 10 5 EFBERN Cc1noc(CN2CCC[C@@H]2COc2cccnc2C)c1[N+](=O)[O-] ZINC000595549383 478849349 /nfs/dbraw/zinc/84/93/49/478849349.db2.gz DOZVAWKCLLHARI-CYBMUJFWSA-N 0 0 332.360 2.638 10 5 EFBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccco1 ZINC000601481204 478850902 /nfs/dbraw/zinc/85/09/02/478850902.db2.gz DCNHRFUWYSVDMW-CQSZACIVSA-N 0 0 336.369 2.960 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(CCF)CC1 ZINC000601498145 478852096 /nfs/dbraw/zinc/85/20/96/478852096.db2.gz RAKLNVTYSNGOHS-UHFFFAOYSA-N 0 0 330.381 2.664 10 5 EFBERN Cc1scc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000601497818 478852882 /nfs/dbraw/zinc/85/28/82/478852882.db2.gz CLCKKTIKOAKJRV-UHFFFAOYSA-N 0 0 340.426 2.893 10 5 EFBERN Cc1scc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000601497977 478852984 /nfs/dbraw/zinc/85/29/84/478852984.db2.gz KMVBIQDNCLNHMC-UHFFFAOYSA-N 0 0 332.428 2.813 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CC[C@H]([C@H](O)C(F)(F)F)C1)CCCC2 ZINC000564903345 478853813 /nfs/dbraw/zinc/85/38/13/478853813.db2.gz NVHBZIXLQDBIRQ-GWCFXTLKSA-N 0 0 345.321 2.618 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000601498339 478853756 /nfs/dbraw/zinc/85/37/56/478853756.db2.gz YTNDMPSGZVWJRD-UHFFFAOYSA-N 0 0 330.381 2.664 10 5 EFBERN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])cn2)[nH]n1C1CCCCC1 ZINC000583473978 478858022 /nfs/dbraw/zinc/85/80/22/478858022.db2.gz KRPCFNHVHSMZCU-UHFFFAOYSA-N 0 0 329.360 2.674 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000598495007 478858951 /nfs/dbraw/zinc/85/89/51/478858951.db2.gz LTORFMLFPKJOSH-UHFFFAOYSA-N 0 0 349.387 2.540 10 5 EFBERN CC(C)(C)OC(=O)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000598496577 478860161 /nfs/dbraw/zinc/86/01/61/478860161.db2.gz PPXUGQXZPBNWMI-UHFFFAOYSA-N 0 0 334.372 2.837 10 5 EFBERN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC12CCCCC2 ZINC000595567507 478860969 /nfs/dbraw/zinc/86/09/69/478860969.db2.gz QXEUKHBEMVGUQX-CQSZACIVSA-N 0 0 335.408 2.594 10 5 EFBERN CN(c1nc(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cs1)C1CC1 ZINC000592348444 478864113 /nfs/dbraw/zinc/86/41/13/478864113.db2.gz GTIXRGCRWOVVLX-UHFFFAOYSA-N 0 0 346.368 2.606 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCC[C@@H]1CCOC1 ZINC000592345106 478864117 /nfs/dbraw/zinc/86/41/17/478864117.db2.gz OCESXEHBAPBDGI-CYBMUJFWSA-N 0 0 329.356 2.635 10 5 EFBERN CC1(C)CC(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000598503517 478866039 /nfs/dbraw/zinc/86/60/39/478866039.db2.gz YPVGDNGSYSXIPB-UHFFFAOYSA-N 0 0 347.371 2.588 10 5 EFBERN C[C@H](NC(=O)NCc1c(C2CC2)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000595578417 478866521 /nfs/dbraw/zinc/86/65/21/478866521.db2.gz CEJMPVZVLLWMPP-NSHDSACASA-N 0 0 343.387 2.766 10 5 EFBERN Cn1cc(C(=O)NC2CC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598505034 478867152 /nfs/dbraw/zinc/86/71/52/478867152.db2.gz PBOWYSHIRQJOJT-UHFFFAOYSA-N 0 0 328.372 2.914 10 5 EFBERN Cc1ccc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598506331 478867270 /nfs/dbraw/zinc/86/72/70/478867270.db2.gz DZTHAKUNCIWMDV-NSHDSACASA-N 0 0 332.278 2.697 10 5 EFBERN COc1ccnc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1F ZINC000595583746 478868667 /nfs/dbraw/zinc/86/86/67/478868667.db2.gz ZCNYUMVZTVACKI-JTQLQIEISA-N 0 0 348.334 2.698 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000598508462 478869613 /nfs/dbraw/zinc/86/96/13/478869613.db2.gz QPDQUGMFBCTORI-NXEZZACHSA-N 0 0 332.278 2.777 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598510963 478870953 /nfs/dbraw/zinc/87/09/53/478870953.db2.gz MWLRINDDUPZHGT-LLVKDONJSA-N 0 0 332.278 2.697 10 5 EFBERN Cc1cc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000598510811 478871058 /nfs/dbraw/zinc/87/10/58/478871058.db2.gz XOSAUFYBDVPDPA-LLVKDONJSA-N 0 0 332.278 2.697 10 5 EFBERN Cc1c(C(=O)N2CCO[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000598510863 478871113 /nfs/dbraw/zinc/87/11/13/478871113.db2.gz XSKGENFZASBBEL-SNVBAGLBSA-N 0 0 332.278 2.697 10 5 EFBERN Cc1cc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000598510812 478871256 /nfs/dbraw/zinc/87/12/56/478871256.db2.gz XOSAUFYBDVPDPA-NSHDSACASA-N 0 0 332.278 2.697 10 5 EFBERN COCC1(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000564965839 478871415 /nfs/dbraw/zinc/87/14/15/478871415.db2.gz KTUWLTYOOVGCRH-INIZCTEOSA-N 0 0 344.415 2.824 10 5 EFBERN C[C@@]1(C2CCCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000601539982 478871750 /nfs/dbraw/zinc/87/17/50/478871750.db2.gz NIXFUDZGDAMYBI-HNNXBMFYSA-N 0 0 339.417 2.723 10 5 EFBERN C[C@H](C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598512425 478872126 /nfs/dbraw/zinc/87/21/26/478872126.db2.gz SEYBQXSHIZTPCN-GXFFZTMASA-N 0 0 346.305 2.878 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598512484 478872956 /nfs/dbraw/zinc/87/29/56/478872956.db2.gz TYAKGZKBSRGBAA-CYBMUJFWSA-N 0 0 346.305 2.707 10 5 EFBERN Cc1cccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598513089 478873599 /nfs/dbraw/zinc/87/35/99/478873599.db2.gz XZRDLDMOJFJKSM-SNVBAGLBSA-N 0 0 332.278 2.697 10 5 EFBERN Cc1nnc(CN(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000598514279 478874678 /nfs/dbraw/zinc/87/46/78/478874678.db2.gz MCTTZLUINQMWMN-UHFFFAOYSA-N 0 0 340.792 2.989 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601567107 478883183 /nfs/dbraw/zinc/88/31/83/478883183.db2.gz QKWRMNVWVIUNHN-HZPDHXFCSA-N 0 0 333.388 2.742 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000598538479 478884445 /nfs/dbraw/zinc/88/44/45/478884445.db2.gz DVTQAUVEKVBQHI-PXAZEXFGSA-N 0 0 344.367 2.845 10 5 EFBERN Cc1cn(C)[nH]c1=NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000598537686 478884655 /nfs/dbraw/zinc/88/46/55/478884655.db2.gz MJZWUTXCASJHEX-UHFFFAOYSA-N 0 0 334.401 2.811 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1[nH]ncc1C(F)(F)F ZINC000601571435 478885535 /nfs/dbraw/zinc/88/55/35/478885535.db2.gz SEJQBTJZPPJWCU-UHFFFAOYSA-N 0 0 342.277 2.651 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598539438 478885728 /nfs/dbraw/zinc/88/57/28/478885728.db2.gz DXYXEFHGIJZULZ-HDICACEKSA-N 0 0 346.383 2.636 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598539922 478886598 /nfs/dbraw/zinc/88/65/98/478886598.db2.gz MMSLZIHUFQGXTQ-GDZNZVCISA-N 0 0 328.368 2.937 10 5 EFBERN CNc1ccc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000598540438 478886831 /nfs/dbraw/zinc/88/68/31/478886831.db2.gz JRWSPVXFBQWJRG-HDICACEKSA-N 0 0 345.399 2.669 10 5 EFBERN C[C@H](O)[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598539958 478886995 /nfs/dbraw/zinc/88/69/95/478886995.db2.gz NIMOJVIIQINDGH-UGSOOPFHSA-N 0 0 328.368 2.766 10 5 EFBERN Cc1cc(Cc2noc(-c3cn(C4CCC4)nn3)n2)ccc1[N+](=O)[O-] ZINC000592408920 478888189 /nfs/dbraw/zinc/88/81/89/478888189.db2.gz PIXQQFWDZNHSAP-UHFFFAOYSA-N 0 0 340.343 2.861 10 5 EFBERN COc1cc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000598544913 478888367 /nfs/dbraw/zinc/88/83/67/478888367.db2.gz QJWPRAAMAAGRKH-HDICACEKSA-N 0 0 346.383 2.636 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1-c1nc(Cc2nc(C3CC3)nn2C)no1 ZINC000592414233 478888530 /nfs/dbraw/zinc/88/85/30/478888530.db2.gz GOGAGTIMFOFYQU-UHFFFAOYSA-N 0 0 340.343 2.550 10 5 EFBERN Cc1cc(-c2noc(-c3cn(C4CCC4)nn3)n2)cc([N+](=O)[O-])c1 ZINC000592412750 478888585 /nfs/dbraw/zinc/88/85/85/478888585.db2.gz OHGGRRGPLUGMPR-UHFFFAOYSA-N 0 0 326.316 2.937 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598547680 478889675 /nfs/dbraw/zinc/88/96/75/478889675.db2.gz ZWWGKERGXOLITI-KDURUIRLSA-N 0 0 344.411 2.947 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000598551738 478890661 /nfs/dbraw/zinc/89/06/61/478890661.db2.gz VOTQILVBNFWTMG-QGZVFWFLSA-N 0 0 328.372 2.866 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601588457 478893706 /nfs/dbraw/zinc/89/37/06/478893706.db2.gz WOWLGBPMZRGJFD-IRXDYDNUSA-N 0 0 347.415 2.784 10 5 EFBERN Cc1sc(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598561795 478894880 /nfs/dbraw/zinc/89/48/80/478894880.db2.gz BAAUXWZNHPHYGG-CPFSXVBKSA-N 0 0 334.344 2.849 10 5 EFBERN CO[C@](C)(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC000601591445 478895174 /nfs/dbraw/zinc/89/51/74/478895174.db2.gz KVYDDYWTXLSYKM-QGZVFWFLSA-N 0 0 332.400 2.948 10 5 EFBERN C[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)O1 ZINC000601589791 478895343 /nfs/dbraw/zinc/89/53/43/478895343.db2.gz ADQVJPHTYBKLBI-GYSYKLTISA-N 0 0 331.372 2.548 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@](C)(C(F)F)O1 ZINC000598564588 478898494 /nfs/dbraw/zinc/89/84/94/478898494.db2.gz MYZGMFSJENYFGY-RTHLEPHNSA-N 0 0 332.278 2.619 10 5 EFBERN NC(=O)[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000545212944 478900179 /nfs/dbraw/zinc/90/01/79/478900179.db2.gz XKPZZDSDDHDNMX-HNNXBMFYSA-N 0 0 340.314 2.921 10 5 EFBERN CS(=O)(=O)c1cc(SCCC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000592456679 478900299 /nfs/dbraw/zinc/90/02/99/478900299.db2.gz BQKCEDSXQLNAMF-NSHDSACASA-N 0 0 345.442 2.907 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000598568688 478900543 /nfs/dbraw/zinc/90/05/43/478900543.db2.gz AZERBOHPRDKDSM-CYBMUJFWSA-N 0 0 334.706 2.744 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000598570653 478901736 /nfs/dbraw/zinc/90/17/36/478901736.db2.gz GAHFYGRQMMNVEB-HNNXBMFYSA-N 0 0 340.282 2.837 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592460979 478901905 /nfs/dbraw/zinc/90/19/05/478901905.db2.gz MPKYXKFRPBGLEH-KRWDZBQOSA-N 0 0 343.383 2.726 10 5 EFBERN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000583630767 478902347 /nfs/dbraw/zinc/90/23/47/478902347.db2.gz SDOSIVWICWAGMF-JKSUJKDBSA-N 0 0 326.352 2.895 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000598573233 478903341 /nfs/dbraw/zinc/90/33/41/478903341.db2.gz BADFBOWYUHOPEO-JTQLQIEISA-N 0 0 344.371 2.696 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]2C(F)F)cc1SC ZINC000601604531 478903350 /nfs/dbraw/zinc/90/33/50/478903350.db2.gz NCKWLAAFVNQBDD-QMMMGPOBSA-N 0 0 332.328 2.805 10 5 EFBERN Cc1c(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598576114 478905925 /nfs/dbraw/zinc/90/59/25/478905925.db2.gz ZAOGBNFGYHWACR-PSLIRLAXSA-N 0 0 328.315 2.788 10 5 EFBERN COC[C@]1(C)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601613911 478907225 /nfs/dbraw/zinc/90/72/25/478907225.db2.gz TWAGLRPKZFWZTG-QGZVFWFLSA-N 0 0 332.400 2.902 10 5 EFBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000598579194 478908353 /nfs/dbraw/zinc/90/83/53/478908353.db2.gz YFYAWRWXCIQMOQ-NSHDSACASA-N 0 0 341.367 2.993 10 5 EFBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000598579193 478908789 /nfs/dbraw/zinc/90/87/89/478908789.db2.gz YFYAWRWXCIQMOQ-LLVKDONJSA-N 0 0 341.367 2.993 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000565114816 478920593 /nfs/dbraw/zinc/92/05/93/478920593.db2.gz MCGGYLPXDJNORW-FIXISWKDSA-N 0 0 326.368 2.751 10 5 EFBERN COC(=O)CN(Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCCC1 ZINC000595667223 478924707 /nfs/dbraw/zinc/92/47/07/478924707.db2.gz DGJXFVKTQCEORO-UHFFFAOYSA-N 0 0 336.388 2.911 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@H]2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598612804 478926122 /nfs/dbraw/zinc/92/61/22/478926122.db2.gz DCZWLYDUXXEJIT-JTQLQIEISA-N 0 0 338.307 2.537 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2C[C@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000598613426 478927183 /nfs/dbraw/zinc/92/71/83/478927183.db2.gz GTMMLSPPHPKULD-NEPJUHHUSA-N 0 0 337.376 2.780 10 5 EFBERN COC(=O)c1ccnc(NCc2ccc(C)cc2OC)c1[N+](=O)[O-] ZINC000598613907 478927205 /nfs/dbraw/zinc/92/72/05/478927205.db2.gz ZIICFTBZJGINAC-UHFFFAOYSA-N 0 0 331.328 2.706 10 5 EFBERN Cc1ccc(S(=O)(=O)NC[C@@H](C)CC(F)F)c(C)c1[N+](=O)[O-] ZINC000598615711 478927861 /nfs/dbraw/zinc/92/78/61/478927861.db2.gz RXVUHURBAHAPAO-QMMMGPOBSA-N 0 0 336.360 2.781 10 5 EFBERN Cc1cc2c(cc1C)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000507637415 478930667 /nfs/dbraw/zinc/93/06/67/478930667.db2.gz QCFPOEKYWQSVFK-UHFFFAOYSA-N 0 0 332.381 2.963 10 5 EFBERN COC(=O)[C@H](c1cccc(OC)c1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000595680589 478931851 /nfs/dbraw/zinc/93/18/51/478931851.db2.gz OYPLGQOOJZXKME-KRWDZBQOSA-N 0 0 344.367 2.950 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000598625641 478931967 /nfs/dbraw/zinc/93/19/67/478931967.db2.gz RMIQWKBCHOCMST-APPZFPTMSA-N 0 0 333.266 2.554 10 5 EFBERN COC(=O)C12CC(C1)CN2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000595680221 478932441 /nfs/dbraw/zinc/93/24/41/478932441.db2.gz OCUXODVWUYJGHD-UHFFFAOYSA-N 0 0 344.289 2.751 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2cccnc2)C1 ZINC000601657584 478932821 /nfs/dbraw/zinc/93/28/21/478932821.db2.gz NOBDIGTVCDQSJM-HNNXBMFYSA-N 0 0 341.367 2.775 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000601658128 478933305 /nfs/dbraw/zinc/93/33/05/478933305.db2.gz KBYWQAKZAPXCSL-HNNXBMFYSA-N 0 0 340.383 2.808 10 5 EFBERN COc1ccc(OCCN2CC3(CCC3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000595682802 478933555 /nfs/dbraw/zinc/93/35/55/478933555.db2.gz RPVTUIMJXZYWQD-CYBMUJFWSA-N 0 0 336.388 2.626 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2C[C@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC000598631407 478933980 /nfs/dbraw/zinc/93/39/80/478933980.db2.gz TUQXMVPZHMPVDU-WBMJQRKESA-N 0 0 331.303 2.826 10 5 EFBERN COc1ccc(OCCN2CC3(CCC3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595682803 478933868 /nfs/dbraw/zinc/93/38/68/478933868.db2.gz RPVTUIMJXZYWQD-ZDUSSCGKSA-N 0 0 336.388 2.626 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2C[C@@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC000598631403 478934656 /nfs/dbraw/zinc/93/46/56/478934656.db2.gz TUQXMVPZHMPVDU-BLLLJJGKSA-N 0 0 331.303 2.826 10 5 EFBERN O=C(Cc1cccc(O)c1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572896012 478944857 /nfs/dbraw/zinc/94/48/57/478944857.db2.gz QOKXLOZMCDJRNL-UHFFFAOYSA-N 0 0 339.351 2.683 10 5 EFBERN Nc1c(NC(=O)NCC[C@H]2CC2(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000598656818 478950183 /nfs/dbraw/zinc/95/01/83/478950183.db2.gz KMNJRAKZPDFFNY-LURJTMIESA-N 0 0 334.710 2.997 10 5 EFBERN CC(C)(F)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000601687328 478953393 /nfs/dbraw/zinc/95/33/93/478953393.db2.gz ASPNQQGMHXKDOQ-UHFFFAOYSA-N 0 0 333.157 2.764 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccsc1C(F)(F)F ZINC000601687500 478953773 /nfs/dbraw/zinc/95/37/73/478953773.db2.gz FNJYDHYJFATLMB-UHFFFAOYSA-N 0 0 348.306 2.578 10 5 EFBERN Cc1cccc([C@@H]2C(=O)NCCN2Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000565231224 478958538 /nfs/dbraw/zinc/95/85/38/478958538.db2.gz ZFCCEYUZQJQQTO-GOSISDBHSA-N 0 0 339.395 2.885 10 5 EFBERN O=C(N[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000601703944 478961082 /nfs/dbraw/zinc/96/10/82/478961082.db2.gz HGVDPHWUEZEWDA-OAHLLOKOSA-N 0 0 326.356 2.843 10 5 EFBERN C[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595732301 478962221 /nfs/dbraw/zinc/96/22/21/478962221.db2.gz LOILRRTWCYDGSZ-UWVGGRQHSA-N 0 0 343.221 2.806 10 5 EFBERN C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@H]1CCCO1 ZINC000598683088 478968088 /nfs/dbraw/zinc/96/80/88/478968088.db2.gz VSZZFGKCPAAGPH-XHDPSFHLSA-N 0 0 344.371 2.551 10 5 EFBERN C[C@H](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCO1 ZINC000598681794 478969275 /nfs/dbraw/zinc/96/92/75/478969275.db2.gz QLRJKXNJWYVXRZ-MFKMUULPSA-N 0 0 345.359 2.524 10 5 EFBERN CSCCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000601719637 478970973 /nfs/dbraw/zinc/97/09/73/478970973.db2.gz UKTMDJMUTARNIM-UHFFFAOYSA-N 0 0 334.401 2.644 10 5 EFBERN C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000595749601 478973923 /nfs/dbraw/zinc/97/39/23/478973923.db2.gz ORIMKCRFGAGBFO-NSHDSACASA-N 0 0 334.401 2.996 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(Oc2ccccc2F)CC1 ZINC000601735359 478976214 /nfs/dbraw/zinc/97/62/14/478976214.db2.gz BEDZTUZEILMXOP-UHFFFAOYSA-N 0 0 333.319 2.746 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](CCF)C1 ZINC000595756638 478977376 /nfs/dbraw/zinc/97/73/76/478977376.db2.gz VESCRHGTWIVILV-LBPRGKRZSA-N 0 0 339.367 2.614 10 5 EFBERN COc1ccc(C(=O)CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000601741678 478980764 /nfs/dbraw/zinc/98/07/64/478980764.db2.gz XPHHHXLDONJKSC-ZIAGYGMSSA-N 0 0 346.383 2.729 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595771699 478988441 /nfs/dbraw/zinc/98/84/41/478988441.db2.gz CBJCRUFPVHFLDZ-KCQAQPDRSA-N 0 0 347.419 2.574 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)O1 ZINC000601762128 478989887 /nfs/dbraw/zinc/98/98/87/478989887.db2.gz PXUOSBZAZXRSPA-RWYTXXIDSA-N 0 0 343.177 2.653 10 5 EFBERN C[C@]1(CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000595776373 478990483 /nfs/dbraw/zinc/99/04/83/478990483.db2.gz AQOFOVVUIZWFKL-AWEZNQCLSA-N 0 0 342.346 2.741 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601766450 478990614 /nfs/dbraw/zinc/99/06/14/478990614.db2.gz JTDYUQDYQNJHTP-NQMVMOMDSA-N 0 0 343.177 2.653 10 5 EFBERN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)CC(F)F ZINC000592673218 478991238 /nfs/dbraw/zinc/99/12/38/478991238.db2.gz SSIUGBHRPLMMJH-JTQLQIEISA-N 0 0 338.314 2.802 10 5 EFBERN C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)CC(F)F ZINC000592673298 478991325 /nfs/dbraw/zinc/99/13/25/478991325.db2.gz UHRNNYUUNKHGPR-SNVBAGLBSA-N 0 0 338.314 2.802 10 5 EFBERN O=C1C[C@H]([C@@H]2CCCCN2c2ccc3ncccc3c2[N+](=O)[O-])CN1 ZINC000573099278 478991650 /nfs/dbraw/zinc/99/16/50/478991650.db2.gz CGFNLGULWUPDKY-WFASDCNBSA-N 0 0 340.383 2.638 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)nc2)CC2CC2)n1 ZINC000592681698 478994927 /nfs/dbraw/zinc/99/49/27/478994927.db2.gz PKVUJLMVOCSQLB-UHFFFAOYSA-N 0 0 343.387 2.567 10 5 EFBERN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595783070 478995744 /nfs/dbraw/zinc/99/57/44/478995744.db2.gz QAZDPUQRETZVPD-ZLKJLUDKSA-N 0 0 344.371 2.599 10 5 EFBERN C[C@](CO)(NC(=O)[C@H]1C[C@@H]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601775573 478996147 /nfs/dbraw/zinc/99/61/47/478996147.db2.gz FXUHZXPDDDKVRF-SOLBZPMBSA-N 0 0 332.400 2.745 10 5 EFBERN Cc1c(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccn1C(C)C ZINC000601775535 478996213 /nfs/dbraw/zinc/99/62/13/478996213.db2.gz FNXLWSPHBCHMEG-GOSISDBHSA-N 0 0 345.399 2.923 10 5 EFBERN C[C@@](CO)(NC(=O)[C@@H]1CCCC2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000601774753 478996232 /nfs/dbraw/zinc/99/62/32/478996232.db2.gz DKYJEZYGLQAPSH-DYVFJYSZSA-N 0 0 332.400 2.889 10 5 EFBERN C[C@](CO)(NC(=O)[C@H]1CCCC2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000601774756 478996446 /nfs/dbraw/zinc/99/64/46/478996446.db2.gz DKYJEZYGLQAPSH-SUMWQHHRSA-N 0 0 332.400 2.889 10 5 EFBERN C[C@@](CO)(NC(=O)c1cccc2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601775603 478996642 /nfs/dbraw/zinc/99/66/42/478996642.db2.gz GGXVFNBNMMBXEM-IBGZPJMESA-N 0 0 340.379 2.721 10 5 EFBERN C[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000601776296 478996874 /nfs/dbraw/zinc/99/68/74/478996874.db2.gz IMRJUBPJKBKVEQ-BZNIZROVSA-N 0 0 334.397 2.784 10 5 EFBERN COc1ccc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000598735664 478997045 /nfs/dbraw/zinc/99/70/45/478997045.db2.gz ZGGBJBATMKYQAI-NSHDSACASA-N 0 0 336.369 2.674 10 5 EFBERN CCOC(=O)c1cc(C(=O)N[C@@]23C[C@@H]2CCCC3)cc([N+](=O)[O-])c1 ZINC000601777542 478997093 /nfs/dbraw/zinc/99/70/93/478997093.db2.gz TVODSHKNVAAFGY-GUYCJALGSA-N 0 0 332.356 2.834 10 5 EFBERN CCc1cccc(CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601779356 478999540 /nfs/dbraw/zinc/99/95/40/478999540.db2.gz QALPDXLHOWFFGR-IBGZPJMESA-N 0 0 342.395 2.724 10 5 EFBERN CCc1ccc(CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601779434 478999834 /nfs/dbraw/zinc/99/98/34/478999834.db2.gz RRUYLCOSWHKWLS-IBGZPJMESA-N 0 0 342.395 2.724 10 5 EFBERN COCC(C)(C)CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584039607 478999825 /nfs/dbraw/zinc/99/98/25/478999825.db2.gz LQYFTRXVUZYIRH-UHFFFAOYSA-N 0 0 333.388 2.798 10 5 EFBERN Cc1cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000601780557 479000085 /nfs/dbraw/zinc/00/00/85/479000085.db2.gz SGOYTDUSIKHEAJ-GOSISDBHSA-N 0 0 346.358 2.988 10 5 EFBERN CC[C@H](CC(F)F)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601781488 479000669 /nfs/dbraw/zinc/00/06/69/479000669.db2.gz WWEVQMOFQHPBFT-MEBBXXQBSA-N 0 0 330.331 2.600 10 5 EFBERN CC[C@H](CC(F)F)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601781486 479000701 /nfs/dbraw/zinc/00/07/01/479000701.db2.gz WWEVQMOFQHPBFT-BMIGLBTASA-N 0 0 330.331 2.600 10 5 EFBERN COC(=O)[C@@H](CC(C)(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000592692130 479001093 /nfs/dbraw/zinc/00/10/93/479001093.db2.gz SBXCIIGQTZCTST-CYBMUJFWSA-N 0 0 336.388 2.540 10 5 EFBERN C[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000601782331 479001707 /nfs/dbraw/zinc/00/17/07/479001707.db2.gz YNYBMNQZYUWICR-FZKQIMNGSA-N 0 0 328.368 2.722 10 5 EFBERN C[C@](CO)(NC(=O)[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000601782193 479002223 /nfs/dbraw/zinc/00/22/23/479002223.db2.gz WXTCSBWLMGCOFA-XHDPSFHLSA-N 0 0 342.342 2.744 10 5 EFBERN CCCCS[C@H](C)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601782644 479002292 /nfs/dbraw/zinc/00/22/92/479002292.db2.gz YZCRZEDOSXWXDD-MLGOLLRUSA-N 0 0 340.445 2.840 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000592693901 479002615 /nfs/dbraw/zinc/00/26/15/479002615.db2.gz ATHBOERBJHCYJV-RHSMWYFYSA-N 0 0 341.367 2.948 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000592695533 479002644 /nfs/dbraw/zinc/00/26/44/479002644.db2.gz MPQRMCWLJJGANC-CHWSQXEVSA-N 0 0 334.420 2.925 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000592696309 479003137 /nfs/dbraw/zinc/00/31/37/479003137.db2.gz VNOQNFJTVSCPIE-KGLIPLIRSA-N 0 0 334.420 2.775 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1SC ZINC000592705100 479006101 /nfs/dbraw/zinc/00/61/01/479006101.db2.gz PZUPWDSPRVFMBC-XWIASGKRSA-N 0 0 344.820 2.887 10 5 EFBERN C[C@@](CO)(NC(=O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601790184 479006320 /nfs/dbraw/zinc/00/63/20/479006320.db2.gz ZSRQGDBVFOGDLG-SFHVURJKSA-N 0 0 328.368 2.551 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C(F)F)CC1 ZINC000601802681 479011136 /nfs/dbraw/zinc/01/11/36/479011136.db2.gz RRJSZNJJLXWRAZ-LBPRGKRZSA-N 0 0 346.355 2.570 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000601803896 479012467 /nfs/dbraw/zinc/01/24/67/479012467.db2.gz UGLUKNSVJWNMFN-JTQLQIEISA-N 0 0 334.706 2.744 10 5 EFBERN COC(=O)c1cc(C(=O)NCC2CCC(F)CC2)cc([N+](=O)[O-])c1 ZINC000592722539 479014299 /nfs/dbraw/zinc/01/42/99/479014299.db2.gz QMGFVFDHUAQCHN-UHFFFAOYSA-N 0 0 338.335 2.640 10 5 EFBERN CNc1ccc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000546214830 479014741 /nfs/dbraw/zinc/01/47/41/479014741.db2.gz NCPOQCORWHSWIW-KPZWWZAWSA-N 0 0 349.431 2.944 10 5 EFBERN CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000595819658 479014987 /nfs/dbraw/zinc/01/49/87/479014987.db2.gz UBMYZYUTIFXURJ-QGZVFWFLSA-N 0 0 346.431 2.861 10 5 EFBERN Cc1ccc(NC[C@H]2CS(=O)(=O)c3ccccc3O2)c([N+](=O)[O-])c1 ZINC000565478483 479016639 /nfs/dbraw/zinc/01/66/39/479016639.db2.gz ULJOYFOCBVLWFC-LBPRGKRZSA-N 0 0 348.380 2.550 10 5 EFBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000592733154 479017804 /nfs/dbraw/zinc/01/78/04/479017804.db2.gz SKYOBSMXBUKBTF-YRGRVCCFSA-N 0 0 326.356 2.699 10 5 EFBERN Cc1cc(C(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)ccc1F ZINC000584113086 479018201 /nfs/dbraw/zinc/01/82/01/479018201.db2.gz ZJYXXAHCKIHZHX-UHFFFAOYSA-N 0 0 344.342 2.966 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2ccon2)CC1 ZINC000595827058 479020783 /nfs/dbraw/zinc/02/07/83/479020783.db2.gz ADEJCCPEHGKNCD-UHFFFAOYSA-N 0 0 344.371 2.709 10 5 EFBERN CC(C)Oc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)ccn1 ZINC000546386957 479021048 /nfs/dbraw/zinc/02/10/48/479021048.db2.gz LFRCJFNKLVSXFJ-UHFFFAOYSA-N 0 0 327.300 2.889 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC1(F)F ZINC000598780538 479023181 /nfs/dbraw/zinc/02/31/81/479023181.db2.gz HDUXEODMPLIOBW-LLVKDONJSA-N 0 0 327.331 2.948 10 5 EFBERN O=C(NCC[C@H]1CC1(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598783561 479025169 /nfs/dbraw/zinc/02/51/69/479025169.db2.gz PHLXDAXMYXEJMZ-QMMMGPOBSA-N 0 0 337.282 2.624 10 5 EFBERN CCc1nccn1[C@@H](C)CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592751570 479025479 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CN(CC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596060762 479113162 /nfs/dbraw/zinc/11/31/62/479113162.db2.gz GXTOEXJZXQHLGZ-UHFFFAOYSA-N 0 0 333.310 2.965 10 5 EFBERN COc1cc(N2CCC(C(=O)N(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596060922 479113751 /nfs/dbraw/zinc/11/37/51/479113751.db2.gz YKRAMGYHYIQLEP-UHFFFAOYSA-N 0 0 341.795 2.561 10 5 EFBERN Cc1nn(C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000592999763 479119135 /nfs/dbraw/zinc/11/91/35/479119135.db2.gz DKVSZXFEYMZUHX-JTQLQIEISA-N 0 0 345.277 2.558 10 5 EFBERN Cc1nn(C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000592999779 479119394 /nfs/dbraw/zinc/11/93/94/479119394.db2.gz DKVSZXFEYMZUHX-SNVBAGLBSA-N 0 0 345.277 2.558 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599001879 479121503 /nfs/dbraw/zinc/12/15/03/479121503.db2.gz YCRZLHUGBLKWGZ-PJODQICGSA-N 0 0 333.388 2.831 10 5 EFBERN NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000599002459 479121950 /nfs/dbraw/zinc/12/19/50/479121950.db2.gz BIGKLYCUDVRHLF-MGCOHNPYSA-N 0 0 349.774 2.862 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599001878 479122180 /nfs/dbraw/zinc/12/21/80/479122180.db2.gz YCRZLHUGBLKWGZ-PEYYIBSZSA-N 0 0 333.388 2.831 10 5 EFBERN Cc1cccc([C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000599008011 479124334 /nfs/dbraw/zinc/12/43/34/479124334.db2.gz TVBXCRQLQFKYSR-MRXNPFEDSA-N 0 0 345.403 2.796 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)Cn2ccnc2)ccc1[N+](=O)[O-] ZINC000596077806 479125083 /nfs/dbraw/zinc/12/50/83/479125083.db2.gz BSOQEEUZSWBUFX-SECBINFHSA-N 0 0 338.751 2.732 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(CCCO)c2ccccc2)c1 ZINC000593014672 479126090 /nfs/dbraw/zinc/12/60/90/479126090.db2.gz CHPPFQQTUQVEFK-UHFFFAOYSA-N 0 0 344.367 2.770 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)c2nccs2)c1 ZINC000593018912 479127175 /nfs/dbraw/zinc/12/71/75/479127175.db2.gz MPYMRLVITHNKOQ-UHFFFAOYSA-N 0 0 335.385 2.863 10 5 EFBERN O=C(NC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1)C1CC1 ZINC000599019556 479127967 /nfs/dbraw/zinc/12/79/67/479127967.db2.gz HAWACTLHCDQVIA-UHFFFAOYSA-N 0 0 340.383 2.638 10 5 EFBERN COC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593019670 479129253 /nfs/dbraw/zinc/12/92/53/479129253.db2.gz IKUWVBCCUHNENI-MRXNPFEDSA-N 0 0 344.367 2.859 10 5 EFBERN O=c1[nH]ccc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000596083810 479129576 /nfs/dbraw/zinc/12/95/76/479129576.db2.gz UNLXQODFBPLUOB-ZDUSSCGKSA-N 0 0 335.747 2.927 10 5 EFBERN COc1cc(N2CCC(CNC(C)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596087165 479130362 /nfs/dbraw/zinc/13/03/62/479130362.db2.gz GRNUNXAZIKPNQZ-UHFFFAOYSA-N 0 0 341.795 2.609 10 5 EFBERN COc1cc(N[C@H](C)CN2CCCC2=O)c(Cl)cc1[N+](=O)[O-] ZINC000596088127 479130905 /nfs/dbraw/zinc/13/09/05/479130905.db2.gz XRZUJYDUMLUJMW-SECBINFHSA-N 0 0 327.768 2.680 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000593027972 479131709 /nfs/dbraw/zinc/13/17/09/479131709.db2.gz HYXSMFUZPDJVJB-INIZCTEOSA-N 0 0 344.371 2.832 10 5 EFBERN COC(=O)c1c(Cl)c(NCC2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000596089621 479132382 /nfs/dbraw/zinc/13/23/82/479132382.db2.gz QVGVJVSVSPYUBO-UHFFFAOYSA-N 0 0 328.752 2.752 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](OC(F)F)C1 ZINC000584450969 479137420 /nfs/dbraw/zinc/13/74/20/479137420.db2.gz JXQVCFOXACZDEP-JTQLQIEISA-N 0 0 339.298 2.970 10 5 EFBERN Cc1nn(CC2CC2)c(C)c1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000593039406 479138476 /nfs/dbraw/zinc/13/84/76/479138476.db2.gz PFUJWSQCLNNXNP-UHFFFAOYSA-N 0 0 342.399 2.677 10 5 EFBERN CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599048321 479138713 /nfs/dbraw/zinc/13/87/13/479138713.db2.gz KJVFUPGKALTAFY-STQMWFEESA-N 0 0 349.412 2.911 10 5 EFBERN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596102959 479139593 /nfs/dbraw/zinc/13/95/93/479139593.db2.gz FWYLCQQWMMJJDA-ZDUSSCGKSA-N 0 0 343.387 2.505 10 5 EFBERN CC(C)N1C(=O)CN(c2ccc3cnccc3c2[N+](=O)[O-])CC1(C)C ZINC000599054492 479141226 /nfs/dbraw/zinc/14/12/26/479141226.db2.gz YDOIZAOGMIDUFM-UHFFFAOYSA-N 0 0 342.399 2.979 10 5 EFBERN COc1cc(N[C@H]2CCc3nc(C)nn3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596106904 479142012 /nfs/dbraw/zinc/14/20/12/479142012.db2.gz WPHQBHNRYXGESL-VIFPVBQESA-N 0 0 337.767 2.584 10 5 EFBERN COc1c(C)cc(CN(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1C ZINC000596109071 479143303 /nfs/dbraw/zinc/14/33/03/479143303.db2.gz FBWNVLDGJZXBBR-UHFFFAOYSA-N 0 0 343.383 2.956 10 5 EFBERN COc1cc(NCCC(=O)NC(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596111136 479144700 /nfs/dbraw/zinc/14/47/00/479144700.db2.gz YTOFJSAASCXLBZ-UHFFFAOYSA-N 0 0 329.784 2.974 10 5 EFBERN COc1cc(NCC2CCN(C(C)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596113428 479146862 /nfs/dbraw/zinc/14/68/62/479146862.db2.gz BVHXNLBNPXWESN-UHFFFAOYSA-N 0 0 341.795 2.927 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](OC(C)C)C2)c1 ZINC000593054662 479147078 /nfs/dbraw/zinc/14/70/78/479147078.db2.gz YPXVMVCGSHVLSP-OAHLLOKOSA-N 0 0 336.388 2.771 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000515336818 479148910 /nfs/dbraw/zinc/14/89/10/479148910.db2.gz QBQPXGKPXCINBN-BZNIZROVSA-N 0 0 339.351 2.892 10 5 EFBERN O=C([C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1)N1CCCC1 ZINC000599073992 479150715 /nfs/dbraw/zinc/15/07/15/479150715.db2.gz PAHYKMBYGBITIG-AWEZNQCLSA-N 0 0 340.383 2.592 10 5 EFBERN CCC[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596124606 479150982 /nfs/dbraw/zinc/15/09/82/479150982.db2.gz XEGMXBKNBJVLRE-CQSZACIVSA-N 0 0 330.768 2.998 10 5 EFBERN O=C1N=NC([C@@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)O1 ZINC000599074399 479151406 /nfs/dbraw/zinc/15/14/06/479151406.db2.gz LPNTYAROADRAOO-LLVKDONJSA-N 0 0 341.327 2.616 10 5 EFBERN CC[C@@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596122423 479151490 /nfs/dbraw/zinc/15/14/90/479151490.db2.gz IWGYCUPTUKQPRU-LDYMZIIASA-N 0 0 330.768 2.854 10 5 EFBERN CC[C@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596122422 479151667 /nfs/dbraw/zinc/15/16/67/479151667.db2.gz IWGYCUPTUKQPRU-KWQFWETISA-N 0 0 330.768 2.854 10 5 EFBERN CS(=O)(=O)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCCC1 ZINC000599080637 479152173 /nfs/dbraw/zinc/15/21/73/479152173.db2.gz JDSXBIBRYMBYKH-UHFFFAOYSA-N 0 0 349.412 2.912 10 5 EFBERN CC(=O)N1CCC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599081894 479153573 /nfs/dbraw/zinc/15/35/73/479153573.db2.gz VYUOFROIEGHJIR-CYBMUJFWSA-N 0 0 328.372 2.813 10 5 EFBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCCSCC1 ZINC000599083541 479153733 /nfs/dbraw/zinc/15/37/33/479153733.db2.gz YYPPTORKXDIWKO-UHFFFAOYSA-N 0 0 345.218 2.936 10 5 EFBERN CC(=O)N1CCC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599081896 479153758 /nfs/dbraw/zinc/15/37/58/479153758.db2.gz VYUOFROIEGHJIR-ZDUSSCGKSA-N 0 0 328.372 2.813 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@]2(C)CCOC2)ccc1[N+](=O)[O-] ZINC000596126269 479153933 /nfs/dbraw/zinc/15/39/33/479153933.db2.gz LPPLBOUFSNTPNR-AWEZNQCLSA-N 0 0 328.752 2.873 10 5 EFBERN COC(=O)c1c(Cl)c(NCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000596127996 479155462 /nfs/dbraw/zinc/15/54/62/479155462.db2.gz FDIMWOLVJDKKSL-UHFFFAOYSA-N 0 0 344.751 2.788 10 5 EFBERN COc1cc(N[C@@H]2CCC[C@H](C(N)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596134148 479157078 /nfs/dbraw/zinc/15/70/78/479157078.db2.gz LVWUQYNFIGUIKN-DTWKUNHWSA-N 0 0 327.768 2.713 10 5 EFBERN COc1cc(NC2CC(N3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599092474 479158135 /nfs/dbraw/zinc/15/81/35/479158135.db2.gz IJGPUSWLLAEGOC-UHFFFAOYSA-N 0 0 341.795 2.532 10 5 EFBERN NC(=O)[C@H]1CCC[C@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596135059 479157994 /nfs/dbraw/zinc/15/79/94/479157994.db2.gz QEXPTSWXDAXUNJ-IUCAKERBSA-N 0 0 342.193 2.813 10 5 EFBERN COc1cc(N2CC[C@](O)(C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596136646 479158105 /nfs/dbraw/zinc/15/81/05/479158105.db2.gz VNYVLZTZEMTMIA-LLVKDONJSA-N 0 0 340.685 2.760 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCO[C@@]2(CCSC2)C1 ZINC000599094316 479159162 /nfs/dbraw/zinc/15/91/62/479159162.db2.gz GWSBZIWIGWGDAX-INIZCTEOSA-N 0 0 331.397 2.855 10 5 EFBERN CC[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000593076059 479159735 /nfs/dbraw/zinc/15/97/35/479159735.db2.gz GMLIZJBZLURRFS-AWEZNQCLSA-N 0 0 348.378 2.894 10 5 EFBERN C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000596140335 479160105 /nfs/dbraw/zinc/16/01/05/479160105.db2.gz GQJHKRMKNMERJM-YGRLFVJLSA-N 0 0 333.319 2.801 10 5 EFBERN O=[N+]([O-])c1ccc(OC2CCN(c3cc(CO)c(F)cn3)CC2)cc1 ZINC000596141246 479160931 /nfs/dbraw/zinc/16/09/31/479160931.db2.gz HMXATRZGOYXALJ-UHFFFAOYSA-N 0 0 347.346 2.669 10 5 EFBERN CS(=O)(=O)CC1(CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599098093 479161046 /nfs/dbraw/zinc/16/10/46/479161046.db2.gz BOPXGTSDSSRQFS-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)CC[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000596143087 479161958 /nfs/dbraw/zinc/16/19/58/479161958.db2.gz WRVQEPWAEIGLLE-QSIZCVBASA-N 0 0 348.808 2.604 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)n1 ZINC000599106310 479162583 /nfs/dbraw/zinc/16/25/83/479162583.db2.gz FCSZFAJNIZXIMQ-AWEZNQCLSA-N 0 0 329.404 2.970 10 5 EFBERN C[C@H]1CN(CCNc2ccc3cnccc3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000599105544 479162779 /nfs/dbraw/zinc/16/27/79/479162779.db2.gz YQDGGZRWJAVOCM-STQMWFEESA-N 0 0 330.388 2.664 10 5 EFBERN C[C@H]1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000599108961 479163687 /nfs/dbraw/zinc/16/36/87/479163687.db2.gz XECTXOBCDNQBOT-JQWIXIFHSA-N 0 0 335.385 2.521 10 5 EFBERN CC[C@H](O)CCCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596146789 479163806 /nfs/dbraw/zinc/16/38/06/479163806.db2.gz PXXYXOXLHHUHRJ-VIFPVBQESA-N 0 0 330.768 2.998 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C)[C@H]1C ZINC000596150208 479164963 /nfs/dbraw/zinc/16/49/63/479164963.db2.gz VUOBRQHGQXNLCX-NWDGAFQWSA-N 0 0 341.433 2.518 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599111070 479165093 /nfs/dbraw/zinc/16/50/93/479165093.db2.gz JUEKGSMTJPHUOK-CQSZACIVSA-N 0 0 342.399 2.884 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C)[C@H]1C ZINC000596150210 479165733 /nfs/dbraw/zinc/16/57/33/479165733.db2.gz VUOBRQHGQXNLCX-VXGBXAGGSA-N 0 0 341.433 2.518 10 5 EFBERN O=C(NC1CC1)c1ccc(NCC[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000599116459 479166626 /nfs/dbraw/zinc/16/66/26/479166626.db2.gz IVYXENQBTOISAU-LBPRGKRZSA-N 0 0 333.388 2.716 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[C@@H]1CCCOC1 ZINC000599117867 479166652 /nfs/dbraw/zinc/16/66/52/479166652.db2.gz ZLRBQHRHZWRBPJ-LBPRGKRZSA-N 0 0 331.372 2.802 10 5 EFBERN Cn1cc([C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C(C)(C)C)cn1 ZINC000596155415 479168470 /nfs/dbraw/zinc/16/84/70/479168470.db2.gz JUIBXNRJUSZUOH-AWEZNQCLSA-N 0 0 331.376 2.627 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2c(C(F)(F)F)cnn2C)n1 ZINC000599123287 479168881 /nfs/dbraw/zinc/16/88/81/479168881.db2.gz DXARFXRYBIHQQZ-UHFFFAOYSA-N 0 0 329.282 2.971 10 5 EFBERN CNC(=O)c1ccc(N[C@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000599122468 479168924 /nfs/dbraw/zinc/16/89/24/479168924.db2.gz GGIGYRSHBUPSIC-CYBMUJFWSA-N 0 0 341.367 2.678 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2COc3cccc(C)c3C2)c1[N+](=O)[O-] ZINC000599123343 479169450 /nfs/dbraw/zinc/16/94/50/479169450.db2.gz MEWXCVGIJHDZJO-LLVKDONJSA-N 0 0 343.339 2.500 10 5 EFBERN COC(=O)c1ccc(F)c2c1CN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC000599132921 479173217 /nfs/dbraw/zinc/17/32/17/479173217.db2.gz LEMJKRAYBYYCHA-UHFFFAOYSA-N 0 0 345.330 2.787 10 5 EFBERN C[C@@H](NC(=O)NCC(O)(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000596167420 479175490 /nfs/dbraw/zinc/17/54/90/479175490.db2.gz HKAJPTYZWWHRMA-LLVKDONJSA-N 0 0 333.388 2.506 10 5 EFBERN COC(=O)c1c(Cl)c(NCC[C@H](C)[S@](C)=O)ccc1[N+](=O)[O-] ZINC000596166938 479175505 /nfs/dbraw/zinc/17/55/05/479175505.db2.gz ZSLRRXDYODSPPA-ZCAPAMDOSA-N 0 0 348.808 2.604 10 5 EFBERN CCOC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)S3)c1[N+](=O)[O-] ZINC000599135751 479176028 /nfs/dbraw/zinc/17/60/28/479176028.db2.gz XRPLLRZLVGHVAG-MNOVXSKESA-N 0 0 337.401 2.641 10 5 EFBERN Cc1cnc(CCN(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000593103592 479176488 /nfs/dbraw/zinc/17/64/88/479176488.db2.gz SJNONRCHVBJSNC-UHFFFAOYSA-N 0 0 337.376 2.742 10 5 EFBERN C[C@H](NC(=O)N1CCC[C@@](O)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596168985 479177423 /nfs/dbraw/zinc/17/74/23/479177423.db2.gz UYPRVVLWOPGEBB-SJCJKPOMSA-N 0 0 333.388 2.602 10 5 EFBERN O=[N+]([O-])c1cccnc1NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000599138941 479177489 /nfs/dbraw/zinc/17/74/89/479177489.db2.gz LFLGJQQOWOBFKN-AWEZNQCLSA-N 0 0 348.790 2.961 10 5 EFBERN COc1cc(NCC2(OC)CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596170267 479178520 /nfs/dbraw/zinc/17/85/20/479178520.db2.gz POSDTJRKZKWIBF-UHFFFAOYSA-N 0 0 330.768 2.864 10 5 EFBERN CC1(C)OC[C@H]2C[C@]21Nc1ncc([N+](=O)[O-])cc1Br ZINC000599142677 479179041 /nfs/dbraw/zinc/17/90/41/479179041.db2.gz IFEZAAISERURPM-KRTXAFLBSA-N 0 0 328.166 2.732 10 5 EFBERN Cc1cc(N[C@@]23C[C@@H]2COC3(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599143439 479179223 /nfs/dbraw/zinc/17/92/23/479179223.db2.gz RBUHBKVGMIZLNJ-ACJLOTCBSA-N 0 0 340.383 2.762 10 5 EFBERN O=C(CN1CC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593115219 479181933 /nfs/dbraw/zinc/18/19/33/479181933.db2.gz ANRIQWJKBWTMHD-CYBMUJFWSA-N 0 0 345.733 2.918 10 5 EFBERN C[C@@H](c1cccc(F)c1)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596178320 479182717 /nfs/dbraw/zinc/18/27/17/479182717.db2.gz IIZGIRYTPCZNEU-LBPRGKRZSA-N 0 0 346.362 2.718 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596180038 479183831 /nfs/dbraw/zinc/18/38/31/479183831.db2.gz WSAPUXZSDLQIQH-UWVGGRQHSA-N 0 0 341.795 2.564 10 5 EFBERN CNS(=O)(=O)c1ccc(NCC[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000599156414 479185308 /nfs/dbraw/zinc/18/53/08/479185308.db2.gz YVMLLOVUJBMPDD-GFCCVEGCSA-N 0 0 339.417 2.661 10 5 EFBERN NC(=O)c1cc(N[C@@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596181923 479186272 /nfs/dbraw/zinc/18/62/72/479186272.db2.gz HQNRFJRFJHOGIP-GUYCJALGSA-N 0 0 341.367 2.883 10 5 EFBERN Nc1ccc(N[C@H]2CCCc3cn(C4CCCC4)nc32)nc1[N+](=O)[O-] ZINC000596186536 479186673 /nfs/dbraw/zinc/18/66/73/479186673.db2.gz LWYKZCDDBIIBBV-AWEZNQCLSA-N 0 0 342.403 2.795 10 5 EFBERN COC(=O)[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000610782772 479187118 /nfs/dbraw/zinc/18/71/18/479187118.db2.gz KWCBCCFRYRVTIA-VIFPVBQESA-N 0 0 346.181 2.752 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C(=O)OC)C1CCCCC1 ZINC000599160361 479188002 /nfs/dbraw/zinc/18/80/02/479188002.db2.gz ZUZJQCPDDWNIJA-ZDUSSCGKSA-N 0 0 338.408 2.901 10 5 EFBERN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000599162437 479188008 /nfs/dbraw/zinc/18/80/08/479188008.db2.gz GOJDKJDKPTYGBR-GXFFZTMASA-N 0 0 326.324 2.504 10 5 EFBERN C[C@H](O)[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596188251 479189089 /nfs/dbraw/zinc/18/90/89/479189089.db2.gz UTVKKTZOLQSAEL-GUYCJALGSA-N 0 0 343.383 2.559 10 5 EFBERN Cc1cn(Cc2nc(-c3ccc([N+](=O)[O-])o3)no2)nc1C(F)(F)F ZINC000599165321 479189470 /nfs/dbraw/zinc/18/94/70/479189470.db2.gz QDFNDGYIOCZBNN-UHFFFAOYSA-N 0 0 343.221 2.810 10 5 EFBERN O=c1[nH]ccc(NCc2nc3ccccc3n2C2CC2)c1[N+](=O)[O-] ZINC000596192014 479190570 /nfs/dbraw/zinc/19/05/70/479190570.db2.gz KQEOIVCGJGXBIC-UHFFFAOYSA-N 0 0 325.328 2.992 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599167376 479191428 /nfs/dbraw/zinc/19/14/28/479191428.db2.gz DXWTXNAKMIABAX-YCDSQXFLSA-N 0 0 331.397 2.633 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1c2ccccc2C(=O)N1C ZINC000599166170 479191725 /nfs/dbraw/zinc/19/17/25/479191725.db2.gz WROGPPKPUZDNKY-KRWDZBQOSA-N 0 0 341.367 2.980 10 5 EFBERN COc1cc(N2CCO[C@@H](COC(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198411 479192810 /nfs/dbraw/zinc/19/28/10/479192810.db2.gz YMOWBHHQRQBYKF-LLVKDONJSA-N 0 0 344.795 2.887 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1OC(F)F ZINC000599168260 479192805 /nfs/dbraw/zinc/19/28/05/479192805.db2.gz LRJHBSNDKYLYOS-GEDWGEIESA-N 0 0 346.355 2.686 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@@H](CCF)C1 ZINC000599169231 479193097 /nfs/dbraw/zinc/19/30/97/479193097.db2.gz SLMKMXYNPNQCPC-LBPRGKRZSA-N 0 0 335.335 2.716 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000593126963 479193504 /nfs/dbraw/zinc/19/35/04/479193504.db2.gz ZJHZGTOHYIXTSG-AWEZNQCLSA-N 0 0 343.358 2.763 10 5 EFBERN COc1cc(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c([N+](=O)[O-])cc1F ZINC000599172131 479193765 /nfs/dbraw/zinc/19/37/65/479193765.db2.gz CHQUKYAAFPIFCX-BZNIZROVSA-N 0 0 349.318 2.785 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc3oc(=O)n(C)c3c2)n1 ZINC000599172795 479194172 /nfs/dbraw/zinc/19/41/72/479194172.db2.gz UOXIZQZDJBBCSQ-UHFFFAOYSA-N 0 0 328.328 2.664 10 5 EFBERN Cc1cc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c([N+](=O)[O-])s1 ZINC000596200369 479194270 /nfs/dbraw/zinc/19/42/70/479194270.db2.gz KRTQCLDYLOSDMQ-UHFFFAOYSA-N 0 0 333.417 2.892 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593129940 479194811 /nfs/dbraw/zinc/19/48/11/479194811.db2.gz XMQGAKMRFASGJL-MRXNPFEDSA-N 0 0 349.387 2.930 10 5 EFBERN COc1cc(N2CCN(CC(C)C)C(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596199547 479194920 /nfs/dbraw/zinc/19/49/20/479194920.db2.gz CVKAQNSFIYGOBI-UHFFFAOYSA-N 0 0 341.795 2.561 10 5 EFBERN C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000596202360 479195862 /nfs/dbraw/zinc/19/58/62/479195862.db2.gz UEYQNYSHKQQWDC-VIFPVBQESA-N 0 0 348.325 2.770 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c2ccncc21 ZINC000599174330 479195901 /nfs/dbraw/zinc/19/59/01/479195901.db2.gz WGOAFPDDZIONID-YCDSQXFLSA-N 0 0 331.397 2.633 10 5 EFBERN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC2(CCCC2)O1 ZINC000596204017 479197700 /nfs/dbraw/zinc/19/77/00/479197700.db2.gz LSCQJKGDROTPKT-UHFFFAOYSA-N 0 0 333.388 2.622 10 5 EFBERN O=C(c1cc(N[C@@H]2CO[C@H](C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599180918 479198507 /nfs/dbraw/zinc/19/85/07/479198507.db2.gz ODSBAVUXYJBFNQ-YOEHRIQHSA-N 0 0 345.399 2.810 10 5 EFBERN Cc1cc(N[C@H]2CO[C@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599181912 479198539 /nfs/dbraw/zinc/19/85/39/479198539.db2.gz VCUVNZGVHYUEJW-ZBFHGGJFSA-N 0 0 340.383 2.762 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599183377 479199646 /nfs/dbraw/zinc/19/96/46/479199646.db2.gz LIUCMAOZLJUOJK-INIZCTEOSA-N 0 0 342.399 2.611 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000599184015 479200089 /nfs/dbraw/zinc/20/00/89/479200089.db2.gz VTIZEYIWMFAXSA-INIZCTEOSA-N 0 0 342.399 2.611 10 5 EFBERN O=[N+]([O-])c1cc(-c2nc(-c3coc(C4CC4)n3)no2)cc2c1OCO2 ZINC000599187529 479201389 /nfs/dbraw/zinc/20/13/89/479201389.db2.gz OYWMNGDKDBNKNB-UHFFFAOYSA-N 0 0 342.267 2.906 10 5 EFBERN CCOC1CC(O)(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596212959 479202862 /nfs/dbraw/zinc/20/28/62/479202862.db2.gz PGBDVWDBWVCELD-UHFFFAOYSA-N 0 0 330.768 2.599 10 5 EFBERN C[C@@H](c1noc(CCNc2ccccc2[N+](=O)[O-])n1)c1cnccn1 ZINC000599195171 479203775 /nfs/dbraw/zinc/20/37/75/479203775.db2.gz POCGXVHMJXUMJL-LLVKDONJSA-N 0 0 340.343 2.574 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccsc1 ZINC000599203057 479208015 /nfs/dbraw/zinc/20/80/15/479208015.db2.gz USPCSOOFYNZQIZ-GXTWGEPZSA-N 0 0 346.412 2.924 10 5 EFBERN CO[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000599207627 479209723 /nfs/dbraw/zinc/20/97/23/479209723.db2.gz XTERKJMSJBICKY-GASCZTMLSA-N 0 0 343.383 2.828 10 5 EFBERN O=c1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c2ccccc2[nH]1 ZINC000574079136 479211047 /nfs/dbraw/zinc/21/10/47/479211047.db2.gz FIRTUUVGWYMRJY-UHFFFAOYSA-N 0 0 335.279 2.961 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599218816 479212482 /nfs/dbraw/zinc/21/24/82/479212482.db2.gz CSAPVMCXGYIEQC-VNQPRFMTSA-N 0 0 333.388 2.913 10 5 EFBERN CC[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@@H](C)[S@]1=O ZINC000596233608 479214224 /nfs/dbraw/zinc/21/42/24/479214224.db2.gz YLSXFMNQVARYRO-VUHZHCFISA-N 0 0 346.836 2.993 10 5 EFBERN COc1cc(NC[C@@H]2CCN(C(C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596234563 479214414 /nfs/dbraw/zinc/21/44/14/479214414.db2.gz MUKOWVSJGCHMGK-JTQLQIEISA-N 0 0 327.768 2.537 10 5 EFBERN COc1cc(N2CCO[C@@]3(CCCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596234156 479215243 /nfs/dbraw/zinc/21/52/43/479215243.db2.gz OLYGZCYZGCFBEK-HNNXBMFYSA-N 0 0 342.779 2.643 10 5 EFBERN CC(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000596235572 479216418 /nfs/dbraw/zinc/21/64/18/479216418.db2.gz WTMUMZYMJJLZII-JTQLQIEISA-N 0 0 342.193 2.638 10 5 EFBERN CC[C@@H](C)N(CCO)c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596243377 479221722 /nfs/dbraw/zinc/22/17/22/479221722.db2.gz KSTTZGFFLPXHJW-SECBINFHSA-N 0 0 330.768 2.632 10 5 EFBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)C(C)(C)O ZINC000596247507 479222270 /nfs/dbraw/zinc/22/22/70/479222270.db2.gz PVFDMEBQDZAZEF-SNVBAGLBSA-N 0 0 330.768 2.996 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2O)c1[N+](=O)[O-] ZINC000569987347 479222425 /nfs/dbraw/zinc/22/24/25/479222425.db2.gz XKMSVVHKGNXKHB-UHFFFAOYSA-N 0 0 344.371 2.709 10 5 EFBERN CC[C@@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596248879 479222402 /nfs/dbraw/zinc/22/24/02/479222402.db2.gz MRHDNNBWMJAPPQ-NXEZZACHSA-N 0 0 342.779 2.632 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000596251447 479223602 /nfs/dbraw/zinc/22/36/02/479223602.db2.gz XJCYXHGCKOELDA-QMMMGPOBSA-N 0 0 330.793 2.977 10 5 EFBERN CCOc1ccc(C(=O)Nc2cc(C(N)=O)sc2C)cc1[N+](=O)[O-] ZINC000610886629 479223645 /nfs/dbraw/zinc/22/36/45/479223645.db2.gz QJJAOEYMRRIBEK-UHFFFAOYSA-N 0 0 349.368 2.715 10 5 EFBERN COC[C@]1(C)CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596248962 479224021 /nfs/dbraw/zinc/22/40/21/479224021.db2.gz AHHZOZPAYSNORB-OAHLLOKOSA-N 0 0 342.779 2.898 10 5 EFBERN Cc1ncc(CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000603060693 479225676 /nfs/dbraw/zinc/22/56/76/479225676.db2.gz IMOAHMKLQSCYRS-AWEZNQCLSA-N 0 0 329.356 2.840 10 5 EFBERN COc1cc(NC[C@H]2CCOC[C@@H]2OC)c(Cl)cc1[N+](=O)[O-] ZINC000596252315 479225967 /nfs/dbraw/zinc/22/59/67/479225967.db2.gz BVMJGFVOTRAANH-OTYXRUKQSA-N 0 0 330.768 2.720 10 5 EFBERN CC(=O)c1c[nH]c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000584743623 479226606 /nfs/dbraw/zinc/22/66/06/479226606.db2.gz NPILIKCGZKLOAK-UHFFFAOYSA-N 0 0 340.339 2.579 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H](OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596255631 479226609 /nfs/dbraw/zinc/22/66/09/479226609.db2.gz VJGBZYNMWAJAEE-JOYOIKCWSA-N 0 0 342.779 2.896 10 5 EFBERN O=[N+]([O-])c1cccc(N2CCN(Cc3cc(CO)ccc3F)CC2)c1 ZINC000599265461 479227123 /nfs/dbraw/zinc/22/71/23/479227123.db2.gz VNEHGUFTUOKISM-UHFFFAOYSA-N 0 0 345.374 2.548 10 5 EFBERN COC[C@@](C)(O)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596258730 479228803 /nfs/dbraw/zinc/22/88/03/479228803.db2.gz NNBBGUJFRFLMOA-LBPRGKRZSA-N 0 0 333.182 2.557 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000596269984 479232882 /nfs/dbraw/zinc/23/28/82/479232882.db2.gz JQGVEBHCDMMQLY-QMMMGPOBSA-N 0 0 338.751 2.941 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000596274056 479234315 /nfs/dbraw/zinc/23/43/15/479234315.db2.gz OUCCNRWWJJYFJO-HBNTYKKESA-N 0 0 341.205 2.955 10 5 EFBERN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610929467 479236200 /nfs/dbraw/zinc/23/62/00/479236200.db2.gz LRIRJSWDGBESON-RCOVLWMOSA-N 0 0 325.674 2.799 10 5 EFBERN Cc1ccc(CN(CC2CC2)c2ccc([N+](=O)[O-])c(C(N)=O)c2)cn1 ZINC000596287541 479240684 /nfs/dbraw/zinc/24/06/84/479240684.db2.gz WPBASMQGLXEECO-UHFFFAOYSA-N 0 0 340.383 2.814 10 5 EFBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCc2ccc(F)cc21 ZINC000596291703 479242009 /nfs/dbraw/zinc/24/20/09/479242009.db2.gz OCTKMKLHFSHCOE-NSHDSACASA-N 0 0 343.358 2.999 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593213671 479242963 /nfs/dbraw/zinc/24/29/63/479242963.db2.gz SJRYEOSCEYOVDD-UHFFFAOYSA-N 0 0 327.340 2.755 10 5 EFBERN CCCCNC(=O)[C@H]1CCCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000574219490 479244645 /nfs/dbraw/zinc/24/46/45/479244645.db2.gz UXIBFPVJYJLFCA-ZDUSSCGKSA-N 0 0 335.404 2.736 10 5 EFBERN C[C@@H](CSc1ccccc1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000593217936 479245339 /nfs/dbraw/zinc/24/53/39/479245339.db2.gz FEUDRQPAFCUQFR-NSHDSACASA-N 0 0 334.401 2.581 10 5 EFBERN CCOc1cccc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000610972139 479247931 /nfs/dbraw/zinc/24/79/31/479247931.db2.gz VJIXKRKIDHGPEO-UHFFFAOYSA-N 0 0 343.383 2.598 10 5 EFBERN CCOC(=O)CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610977295 479249327 /nfs/dbraw/zinc/24/93/27/479249327.db2.gz DGINZDOXADRDIU-UHFFFAOYSA-N 0 0 334.372 2.790 10 5 EFBERN COC[C@@H](CCNc1c(Br)cccc1[N+](=O)[O-])OC ZINC000596315075 479250810 /nfs/dbraw/zinc/25/08/10/479250810.db2.gz ATOALTPFDFTBER-SECBINFHSA-N 0 0 333.182 2.821 10 5 EFBERN CCOc1cccc(NCCC2(CS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000596317281 479251316 /nfs/dbraw/zinc/25/13/16/479251316.db2.gz RQCLCQQTMRNWJL-UHFFFAOYSA-N 0 0 342.417 2.620 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cc2c([nH]c1=O)CCCC2 ZINC000593230927 479251386 /nfs/dbraw/zinc/25/13/86/479251386.db2.gz BBNAAKJQQRYSDJ-UHFFFAOYSA-N 0 0 342.355 2.896 10 5 EFBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@@H]1C1CC1 ZINC000599320829 479252731 /nfs/dbraw/zinc/25/27/31/479252731.db2.gz HZKNZASGKQGMPS-OAHLLOKOSA-N 0 0 344.346 2.934 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2ncn(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000593232866 479252797 /nfs/dbraw/zinc/25/27/97/479252797.db2.gz RIWHRSXZNJOZEY-UHFFFAOYSA-N 0 0 333.348 2.807 10 5 EFBERN COC[C@@H](CCNc1ccc([N+](=O)[O-])cc1Br)OC ZINC000596327461 479254486 /nfs/dbraw/zinc/25/44/86/479254486.db2.gz GAXHJJFGPJATRO-SNVBAGLBSA-N 0 0 333.182 2.821 10 5 EFBERN CCc1cc(N[C@H](CO)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596325382 479255115 /nfs/dbraw/zinc/25/51/15/479255115.db2.gz QZFCQIUJOZQTCA-MRXNPFEDSA-N 0 0 342.399 2.609 10 5 EFBERN Cc1c(Br)c(N[C@H](CO)C2CCC2)ncc1[N+](=O)[O-] ZINC000596324039 479255214 /nfs/dbraw/zinc/25/52/14/479255214.db2.gz UIBAXDUZHLPFMD-SECBINFHSA-N 0 0 330.182 2.634 10 5 EFBERN COC[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1CCOCC1 ZINC000596329812 479256569 /nfs/dbraw/zinc/25/65/69/479256569.db2.gz NIUZTRXFBHEXBT-INIZCTEOSA-N 0 0 331.372 2.997 10 5 EFBERN CNC(=O)c1ccc(N2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000596332890 479257971 /nfs/dbraw/zinc/25/79/71/479257971.db2.gz BSTLCLGRWFWUFB-UHFFFAOYSA-N 0 0 329.356 2.931 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCc2ccc(F)cc21 ZINC000593247965 479260265 /nfs/dbraw/zinc/26/02/65/479260265.db2.gz FVIVRZJXJKLQBU-LLVKDONJSA-N 0 0 331.347 2.874 10 5 EFBERN CC[C@@H](NC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000602269280 479263682 /nfs/dbraw/zinc/26/36/82/479263682.db2.gz PPFGQMLRVPSLLZ-AEAUEXCSSA-N 0 0 333.388 2.601 10 5 EFBERN CC[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000602272130 479265401 /nfs/dbraw/zinc/26/54/01/479265401.db2.gz ZIVZANGDYKRDFF-YXJHDRRASA-N 0 0 347.415 2.850 10 5 EFBERN CC[C@H](NC(=O)N1CC(OCC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000602273365 479265769 /nfs/dbraw/zinc/26/57/69/479265769.db2.gz NAODYZXZIJXUKB-ZDUSSCGKSA-N 0 0 343.330 2.721 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2Cc3ccccc3N(C)C2=O)n1 ZINC000596359600 479265892 /nfs/dbraw/zinc/26/58/92/479265892.db2.gz BJAQPPAZQBPUAO-CYBMUJFWSA-N 0 0 326.356 2.606 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000596359265 479265967 /nfs/dbraw/zinc/26/59/67/479265967.db2.gz FRQZVSLWXBWAAO-LXZKKBNFSA-N 0 0 345.399 2.543 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000611033078 479267271 /nfs/dbraw/zinc/26/72/71/479267271.db2.gz ZMBLTQKVSPQZSV-MRXNPFEDSA-N 0 0 347.396 2.657 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1S[C@H]1CCc2ccccc2C1 ZINC000596366723 479268504 /nfs/dbraw/zinc/26/85/04/479268504.db2.gz ZHYLZAJZJFPGEG-ZDUSSCGKSA-N 0 0 329.381 2.738 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367048 479268602 /nfs/dbraw/zinc/26/86/02/479268602.db2.gz DYPOGAHOTHGFOS-KFNAQCHYSA-N 0 0 346.387 2.516 10 5 EFBERN CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596369084 479269491 /nfs/dbraw/zinc/26/94/91/479269491.db2.gz NFODYWOZCJQUHB-XWIASGKRSA-N 0 0 329.784 2.621 10 5 EFBERN COc1cc(C)cc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000611041935 479270646 /nfs/dbraw/zinc/27/06/46/479270646.db2.gz IFLPYNFQSZCMGE-UHFFFAOYSA-N 0 0 344.367 2.779 10 5 EFBERN C[S@](=O)[C@@H]1CCC[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000596370857 479270969 /nfs/dbraw/zinc/27/09/69/479270969.db2.gz GOVHRLVDQJLPBO-MNDBLIDSSA-N 0 0 333.413 2.667 10 5 EFBERN COc1cc(C(=O)N[C@@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593279161 479272901 /nfs/dbraw/zinc/27/29/01/479272901.db2.gz HYVLWRQUSJXHDL-INIZCTEOSA-N 0 0 334.372 2.538 10 5 EFBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC2(CC(F)C2)C1 ZINC000611077260 479277898 /nfs/dbraw/zinc/27/78/98/479277898.db2.gz CWJOJPHYOLVCFP-UHFFFAOYSA-N 0 0 343.152 2.931 10 5 EFBERN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC2(CC(F)C2)C1 ZINC000611076709 479278279 /nfs/dbraw/zinc/27/82/79/479278279.db2.gz DGPOPMSZUFBPHZ-UHFFFAOYSA-N 0 0 343.152 2.931 10 5 EFBERN COCc1ccnc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000593291992 479279199 /nfs/dbraw/zinc/27/91/99/479279199.db2.gz ZXLCFONTNDUAQB-UHFFFAOYSA-N 0 0 330.344 2.500 10 5 EFBERN CC[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599395654 479282821 /nfs/dbraw/zinc/28/28/21/479282821.db2.gz HASCDABBEFCUFA-AWEZNQCLSA-N 0 0 349.412 2.680 10 5 EFBERN CC(C)c1ccc2c(c1)CN(c1ncc([N+](=O)[O-])cc1C(N)=O)CC2 ZINC000596410394 479284199 /nfs/dbraw/zinc/28/41/99/479284199.db2.gz JAHHHVKDKUDONL-UHFFFAOYSA-N 0 0 340.383 2.775 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](c2ccccn2)C2CCC2)c1 ZINC000599411447 479287577 /nfs/dbraw/zinc/28/75/77/479287577.db2.gz IJLLYCQICINNMA-INIZCTEOSA-N 0 0 347.396 2.810 10 5 EFBERN C[C@@H]1CC(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H](C)C1 ZINC000596425056 479289314 /nfs/dbraw/zinc/28/93/14/479289314.db2.gz PGCSLYOUKOPPIV-QWRGUYRKSA-N 0 0 341.433 2.726 10 5 EFBERN C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C2(CCC2)CO1 ZINC000593318913 479292644 /nfs/dbraw/zinc/29/26/44/479292644.db2.gz HLGCKGMYRAOHKR-JTQLQIEISA-N 0 0 340.326 2.586 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CC[C@H](O)C(F)(F)C1 ZINC000596433174 479292938 /nfs/dbraw/zinc/29/29/38/479292938.db2.gz SQAWYHDOELORHY-VIFPVBQESA-N 0 0 337.120 2.564 10 5 EFBERN CC(C)(C)Oc1cc(N2CC[C@@H](O)C(F)(F)C2)ccc1[N+](=O)[O-] ZINC000596431549 479292945 /nfs/dbraw/zinc/29/29/45/479292945.db2.gz MALJYSBRSBHENT-CYBMUJFWSA-N 0 0 330.331 2.978 10 5 EFBERN C[C@@H]1CSC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574480149 479293700 /nfs/dbraw/zinc/29/37/00/479293700.db2.gz KTLWWEHVAMTIAH-BMIGLBTASA-N 0 0 348.428 2.669 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC000596444035 479296604 /nfs/dbraw/zinc/29/66/04/479296604.db2.gz TZUBPAITPYCAJX-CALCHBBNSA-N 0 0 334.372 2.553 10 5 EFBERN CCOc1ccc(C(=O)Nc2cnn(C)c2C(F)F)cc1[N+](=O)[O-] ZINC000611159218 479297344 /nfs/dbraw/zinc/29/73/44/479297344.db2.gz CIKINHFXYZJNSL-UHFFFAOYSA-N 0 0 340.286 2.917 10 5 EFBERN CC(C)NC(=O)c1ccc(NCCO[C@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000596447388 479297639 /nfs/dbraw/zinc/29/76/39/479297639.db2.gz KGCXHIWNFMHMKF-ZDUSSCGKSA-N 0 0 343.330 2.569 10 5 EFBERN COC(=O)c1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000599443043 479299051 /nfs/dbraw/zinc/29/90/51/479299051.db2.gz HOSWBJCRUTUSNP-UHFFFAOYSA-N 0 0 333.319 2.548 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1NCCO[C@H]1CC1(F)F ZINC000596448571 479299652 /nfs/dbraw/zinc/29/96/52/479299652.db2.gz VAGUKMSQSPKHAT-QMMMGPOBSA-N 0 0 338.108 2.588 10 5 EFBERN COC(=O)c1ccc(CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000599443305 479300034 /nfs/dbraw/zinc/30/00/34/479300034.db2.gz MGYZNKOERJZBTE-GFCCVEGCSA-N 0 0 329.356 2.969 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CC=CCC1 ZINC000599446876 479300240 /nfs/dbraw/zinc/30/02/40/479300240.db2.gz ZYRJJIIYUZRGQE-GFCCVEGCSA-N 0 0 340.401 2.628 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](OC(F)F)C1 ZINC000557686080 479302057 /nfs/dbraw/zinc/30/20/57/479302057.db2.gz LPLNYIVHRJGIJD-VIFPVBQESA-N 0 0 330.287 2.508 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CC(F)(F)C2 ZINC000611179373 479304380 /nfs/dbraw/zinc/30/43/80/479304380.db2.gz BYWZVMGPCNUHCB-JTQLQIEISA-N 0 0 325.315 2.653 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179952 479304456 /nfs/dbraw/zinc/30/44/56/479304456.db2.gz OICUMVFZVVNTBT-ZJUUUORDSA-N 0 0 343.330 2.517 10 5 EFBERN O=C(CN1CC[C@H](C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611179438 479304500 /nfs/dbraw/zinc/30/45/00/479304500.db2.gz CLKBSSKDWRPKNL-QMMMGPOBSA-N 0 0 333.722 2.774 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000599459272 479304812 /nfs/dbraw/zinc/30/48/12/479304812.db2.gz GESQLUPPTLFHET-QWHCGFSZSA-N 0 0 338.410 2.799 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000611180680 479304814 /nfs/dbraw/zinc/30/48/14/479304814.db2.gz OWDFSZOFTYYEFR-SNVBAGLBSA-N 0 0 325.315 2.653 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC2(C1)CC(F)(F)C2 ZINC000611180555 479305071 /nfs/dbraw/zinc/30/50/71/479305071.db2.gz KLOVDFUFIOWMGV-UHFFFAOYSA-N 0 0 325.315 2.573 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](C(F)F)C1 ZINC000611180303 479305186 /nfs/dbraw/zinc/30/51/86/479305186.db2.gz WQANRGBNHNOJGB-ZJUUUORDSA-N 0 0 343.330 2.517 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000596464667 479306453 /nfs/dbraw/zinc/30/64/53/479306453.db2.gz JMLGYMBLQIRWJP-HNNXBMFYSA-N 0 0 345.355 2.520 10 5 EFBERN C[C@H]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CS1(=O)=O ZINC000596466624 479307145 /nfs/dbraw/zinc/30/71/45/479307145.db2.gz SVIOEASABASECL-JQWIXIFHSA-N 0 0 335.385 2.521 10 5 EFBERN COc1cc(C(=O)N2CC[C@]3(CC3(F)F)C2)cc([N+](=O)[O-])c1C ZINC000593354473 479307972 /nfs/dbraw/zinc/30/79/72/479307972.db2.gz SJPNSNATGWGLKS-AWEZNQCLSA-N 0 0 326.299 2.783 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCC(C)(C)F ZINC000596469033 479308183 /nfs/dbraw/zinc/30/81/83/479308183.db2.gz TZOSZOZUGPCRRW-UHFFFAOYSA-N 0 0 347.412 2.833 10 5 EFBERN CC(C)c1ccc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000593354788 479308292 /nfs/dbraw/zinc/30/82/92/479308292.db2.gz CWCOAHDUJSFPLS-HZPDHXFCSA-N 0 0 348.399 2.737 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCOC[C@@H]1c1ccco1 ZINC000611196192 479308419 /nfs/dbraw/zinc/30/84/19/479308419.db2.gz GADKJQCIRHSGLI-CQSZACIVSA-N 0 0 341.323 2.883 10 5 EFBERN CCNc1ccc(C(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593356774 479309289 /nfs/dbraw/zinc/30/92/89/479309289.db2.gz QXAKCDRSQOLRLS-CQSZACIVSA-N 0 0 325.315 2.898 10 5 EFBERN C[C@H](Cn1ncc2ccccc2c1=O)Nc1ccsc1[N+](=O)[O-] ZINC000611204205 479309717 /nfs/dbraw/zinc/30/97/17/479309717.db2.gz UTZGYVCOWSQDLW-SNVBAGLBSA-N 0 0 330.369 2.867 10 5 EFBERN C[C@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(F)F ZINC000596475380 479310379 /nfs/dbraw/zinc/31/03/79/479310379.db2.gz AGCHYDBLFYERRM-SECBINFHSA-N 0 0 326.346 2.517 10 5 EFBERN C[C@H]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])O1 ZINC000596474796 479310632 /nfs/dbraw/zinc/31/06/32/479310632.db2.gz OLRXFMWBDNIFFL-DTWKUNHWSA-N 0 0 330.182 2.544 10 5 EFBERN C[C@@H]1CCC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000596475143 479310722 /nfs/dbraw/zinc/31/07/22/479310722.db2.gz RQDWJEGTNHMIPH-GDBMZVCRSA-N 0 0 349.431 2.797 10 5 EFBERN C[C@H]1CCC[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000596475145 479310841 /nfs/dbraw/zinc/31/08/41/479310841.db2.gz RQDWJEGTNHMIPH-HOCLYGCPSA-N 0 0 349.431 2.797 10 5 EFBERN Cn1c2cc(NC[C@@H]3CCC[C@@H]4C[C@@H]43)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596474935 479310914 /nfs/dbraw/zinc/31/09/14/479310914.db2.gz UCACLMQWRXWMOH-WOPDTQHZSA-N 0 0 330.388 2.633 10 5 EFBERN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@]2(CC2(F)F)C1 ZINC000593359854 479311051 /nfs/dbraw/zinc/31/10/51/479311051.db2.gz PXPAERGWUNVBAD-HNNXBMFYSA-N 0 0 348.309 2.652 10 5 EFBERN C[C@]1(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1(F)F ZINC000596479953 479311159 /nfs/dbraw/zinc/31/11/59/479311159.db2.gz XRZPQMCNUJQOAD-OAHLLOKOSA-N 0 0 341.358 2.884 10 5 EFBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593361449 479311340 /nfs/dbraw/zinc/31/13/40/479311340.db2.gz KPYCAYYYTXOSBC-CQSZACIVSA-N 0 0 336.388 2.716 10 5 EFBERN C[C@@]1(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1(F)F ZINC000596479951 479311689 /nfs/dbraw/zinc/31/16/89/479311689.db2.gz XRZPQMCNUJQOAD-HNNXBMFYSA-N 0 0 341.358 2.884 10 5 EFBERN C[C@@]12COC[C@@H]1CN(c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000596479771 479311780 /nfs/dbraw/zinc/31/17/80/479311780.db2.gz KMAALRXSGSNURW-TVQRCGJNSA-N 0 0 327.178 2.830 10 5 EFBERN COc1cccc([C@@]2(C)CCN(c3c([N+](=O)[O-])c(C)nn3C)C2)c1 ZINC000596481609 479312044 /nfs/dbraw/zinc/31/20/44/479312044.db2.gz DEOWYYHPRFZELT-KRWDZBQOSA-N 0 0 330.388 2.813 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](CCF)C2)s1 ZINC000596480607 479312126 /nfs/dbraw/zinc/31/21/26/479312126.db2.gz NOYPOHRMZZQKFZ-SECBINFHSA-N 0 0 336.410 2.636 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@H]3COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000596481626 479312242 /nfs/dbraw/zinc/31/22/42/479312242.db2.gz YUOJLRBUFUDARU-VFZGTOFNSA-N 0 0 340.763 2.508 10 5 EFBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000611215540 479312348 /nfs/dbraw/zinc/31/23/48/479312348.db2.gz JCGLVYYCBNKTKU-DKHPWKACSA-N 0 0 332.404 2.663 10 5 EFBERN COc1cccc([C@]2(C)CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596481863 479312611 /nfs/dbraw/zinc/31/26/11/479312611.db2.gz IBVCFIVALICMOM-QGZVFWFLSA-N 0 0 329.356 2.872 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@H]2Nc2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000596486140 479313304 /nfs/dbraw/zinc/31/33/04/479313304.db2.gz DXAZDZKANHRCEM-NWDGAFQWSA-N 0 0 346.416 2.861 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@@H]2Nc2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000596486142 479313751 /nfs/dbraw/zinc/31/37/51/479313751.db2.gz DXAZDZKANHRCEM-RYUDHWBXSA-N 0 0 346.416 2.861 10 5 EFBERN O=C(NCC1(O)CCC(F)(F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596487125 479314278 /nfs/dbraw/zinc/31/42/78/479314278.db2.gz WLIRWNWAIJGZEY-UHFFFAOYSA-N 0 0 329.303 2.657 10 5 EFBERN COCc1ccnc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000593368317 479314382 /nfs/dbraw/zinc/31/43/82/479314382.db2.gz COEDHHIGRMYPPZ-UHFFFAOYSA-N 0 0 331.328 2.544 10 5 EFBERN CCNc1ccc(C(=O)Nc2cc(COC)ccn2)cc1[N+](=O)[O-] ZINC000593369745 479315585 /nfs/dbraw/zinc/31/55/85/479315585.db2.gz ROFVMPJCTBEATN-UHFFFAOYSA-N 0 0 330.344 2.820 10 5 EFBERN C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccncc1 ZINC000611227669 479316227 /nfs/dbraw/zinc/31/62/27/479316227.db2.gz NJGLMDUYRKKEBI-VIFPVBQESA-N 0 0 337.177 2.785 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C12CCC2 ZINC000596495861 479317075 /nfs/dbraw/zinc/31/70/75/479317075.db2.gz XKZNVEPLXXAWTM-OLZOCXBDSA-N 0 0 348.403 2.627 10 5 EFBERN CCc1noc(CNc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000585728972 479318192 /nfs/dbraw/zinc/31/81/92/479318192.db2.gz DYRFXBIFGLMTSM-UHFFFAOYSA-N 0 0 327.138 2.915 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000611233976 479318298 /nfs/dbraw/zinc/31/82/98/479318298.db2.gz PYLHXNGAZQCMCA-ZIAGYGMSSA-N 0 0 328.372 2.785 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000596500448 479318828 /nfs/dbraw/zinc/31/88/28/479318828.db2.gz CVDZDRRIWWACDA-OAHLLOKOSA-N 0 0 326.356 2.696 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000596500402 479319098 /nfs/dbraw/zinc/31/90/98/479319098.db2.gz BCXHQCJFXWMDPS-OTYXRUKQSA-N 0 0 329.303 2.871 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCCO[C@H](c4ccccc4)C3)nn21 ZINC000611240731 479320378 /nfs/dbraw/zinc/32/03/78/479320378.db2.gz CGBNMECAOJLZPA-AWEZNQCLSA-N 0 0 339.355 2.606 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C(=O)NC2CC=CC2)cc1[N+](=O)[O-] ZINC000585759084 479322076 /nfs/dbraw/zinc/32/20/76/479322076.db2.gz UTUQGGPXLUWJJW-UHFFFAOYSA-N 0 0 331.372 2.666 10 5 EFBERN CC(C)(O)C1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593389687 479322173 /nfs/dbraw/zinc/32/21/73/479322173.db2.gz YLHRJJQGQLGVSZ-UHFFFAOYSA-N 0 0 349.431 2.700 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000596514347 479324237 /nfs/dbraw/zinc/32/42/37/479324237.db2.gz JSLXCEAUTGYPBR-UHFFFAOYSA-N 0 0 346.383 2.777 10 5 EFBERN COc1cccc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1[N+](=O)[O-] ZINC000596514367 479324720 /nfs/dbraw/zinc/32/47/20/479324720.db2.gz KQMQMVBONDCIPT-HZPDHXFCSA-N 0 0 347.415 2.659 10 5 EFBERN C[C@H](O)[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596517486 479324981 /nfs/dbraw/zinc/32/49/81/479324981.db2.gz KPKFTEQTAPKJPM-GUYCJALGSA-N 0 0 343.383 2.559 10 5 EFBERN COC(=O)[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000596516338 479325073 /nfs/dbraw/zinc/32/50/73/479325073.db2.gz UQFCRHDWCKLIBE-VHSXEESVSA-N 0 0 342.779 2.892 10 5 EFBERN CC(C)[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC000596516887 479325529 /nfs/dbraw/zinc/32/55/29/479325529.db2.gz IWRXVHXRKLMCIU-IAGOWNOFSA-N 0 0 343.383 2.864 10 5 EFBERN O=C(CN1CCC(c2cccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000611258540 479326786 /nfs/dbraw/zinc/32/67/86/479326786.db2.gz XDOPCBIJDPSXJV-UHFFFAOYSA-N 0 0 340.383 2.808 10 5 EFBERN CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000599547997 479327500 /nfs/dbraw/zinc/32/75/00/479327500.db2.gz IEMANRWFPCCRGC-INIZCTEOSA-N 0 0 348.330 2.989 10 5 EFBERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000599547954 479327647 /nfs/dbraw/zinc/32/76/47/479327647.db2.gz GXHZDZIPDGTYCL-MRXNPFEDSA-N 0 0 330.340 2.850 10 5 EFBERN O=C1CCCN1C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596525081 479327862 /nfs/dbraw/zinc/32/78/62/479327862.db2.gz JQUVNVWRSCMVHR-ZDUSSCGKSA-N 0 0 340.383 2.592 10 5 EFBERN Cn1c2cc([N+](=O)[O-])c(N3CCC[C@@H](C4CCC4)C3)cc2n(C)c1=O ZINC000596526991 479329008 /nfs/dbraw/zinc/32/90/08/479329008.db2.gz SFQZFZHCVRFLGH-CYBMUJFWSA-N 0 0 344.415 2.802 10 5 EFBERN Cc1cc(N2CC[C@H]3COC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596528165 479329289 /nfs/dbraw/zinc/32/92/89/479329289.db2.gz MESVWVSZIQTXTH-GJZGRUSLSA-N 0 0 340.383 2.833 10 5 EFBERN CCOC(=O)c1ccnc(N2CCC(c3ccon3)CC2)c1[N+](=O)[O-] ZINC000596530815 479329924 /nfs/dbraw/zinc/32/99/24/479329924.db2.gz WBNOCLIYHGRXAA-UHFFFAOYSA-N 0 0 346.343 2.539 10 5 EFBERN Cc1c(Br)c(N2CC[C@@H]3COC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000596530608 479330102 /nfs/dbraw/zinc/33/01/02/479330102.db2.gz UQPSNQHSFMVRIZ-NXEZZACHSA-N 0 0 342.193 2.533 10 5 EFBERN Cc1c(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000585800616 479331692 /nfs/dbraw/zinc/33/16/92/479331692.db2.gz BSVQNUUVBGPCNA-KBAYOESNSA-N 0 0 334.416 2.655 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000596536741 479332017 /nfs/dbraw/zinc/33/20/17/479332017.db2.gz TYZQQCQFPKNIDP-CQSZACIVSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000596535321 479332227 /nfs/dbraw/zinc/33/22/27/479332227.db2.gz APADPNMAWATDEC-CYBMUJFWSA-N 0 0 342.399 2.884 10 5 EFBERN CC(=O)c1cc(N2CCC[C@@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000596536827 479332867 /nfs/dbraw/zinc/33/28/67/479332867.db2.gz XWNVOPQHEYGMGF-CYBMUJFWSA-N 0 0 333.388 2.538 10 5 EFBERN COC(=O)C[C@@H](C)SCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593423862 479333815 /nfs/dbraw/zinc/33/38/15/479333815.db2.gz MSVHLKSDNPAEQA-SECBINFHSA-N 0 0 327.358 2.566 10 5 EFBERN COC(=O)c1cnc(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c([N+](=O)[O-])c1 ZINC000596540952 479334013 /nfs/dbraw/zinc/33/40/13/479334013.db2.gz VRDDNSYDLBBRQB-VHDGCEQUSA-N 0 0 343.314 2.666 10 5 EFBERN CCOC(=O)C[C@@H](C)SCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593422656 479334432 /nfs/dbraw/zinc/33/44/32/479334432.db2.gz MUNUNROUYFHJQJ-SNVBAGLBSA-N 0 0 341.385 2.956 10 5 EFBERN Cc1cccc2c1CCC[C@@H]2Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596541148 479334687 /nfs/dbraw/zinc/33/46/87/479334687.db2.gz BTHFRIKCUNAYIQ-AWEZNQCLSA-N 0 0 326.356 2.887 10 5 EFBERN COc1cc(NCC2(CC(N)=O)CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000596542735 479334760 /nfs/dbraw/zinc/33/47/60/479334760.db2.gz HKMVLKGHLARPML-UHFFFAOYSA-N 0 0 339.367 2.980 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596543636 479334811 /nfs/dbraw/zinc/33/48/11/479334811.db2.gz MQEYWFCMODYFBX-CYBMUJFWSA-N 0 0 327.384 2.836 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2nc(C(C)(C)C)no2)c1 ZINC000593424314 479335092 /nfs/dbraw/zinc/33/50/92/479335092.db2.gz YOHQPBHMEJFJKU-UHFFFAOYSA-N 0 0 335.316 2.641 10 5 EFBERN C[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000596544636 479335262 /nfs/dbraw/zinc/33/52/62/479335262.db2.gz WMGOEQORYIENDW-LLVKDONJSA-N 0 0 341.433 2.871 10 5 EFBERN CC(C)Oc1ccnc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000593424319 479335275 /nfs/dbraw/zinc/33/52/75/479335275.db2.gz YYQFLKQZBDDSOA-UHFFFAOYSA-N 0 0 341.165 2.784 10 5 EFBERN NC(=O)c1ccc(CN[C@@H](c2ccccn2)C2CCC2)c([N+](=O)[O-])c1 ZINC000599572770 479337685 /nfs/dbraw/zinc/33/76/85/479337685.db2.gz BLPVMFVEJCTWSD-QGZVFWFLSA-N 0 0 340.383 2.720 10 5 EFBERN COc1cc(N2CCO[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000596556926 479338235 /nfs/dbraw/zinc/33/82/35/479338235.db2.gz CZJCWGASFGQMSH-QMMMGPOBSA-N 0 0 338.257 2.900 10 5 EFBERN O=C([C@H]1CC12CCN(c1cccnc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611298775 479341478 /nfs/dbraw/zinc/34/14/78/479341478.db2.gz OEZDOGALFQMELM-CQSZACIVSA-N 0 0 344.415 2.609 10 5 EFBERN C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000596572540 479344196 /nfs/dbraw/zinc/34/41/96/479344196.db2.gz FLKNKONHDILQGH-SNVBAGLBSA-N 0 0 342.355 2.587 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@](C)(C(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000596572817 479344265 /nfs/dbraw/zinc/34/42/65/479344265.db2.gz GPGMZLJXPQPXEX-RTHLEPHNSA-N 0 0 334.294 2.991 10 5 EFBERN C[C@@]1(C(F)F)CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000596572967 479344428 /nfs/dbraw/zinc/34/44/28/479344428.db2.gz JBABSTQZYWUIHE-NSHDSACASA-N 0 0 341.236 2.869 10 5 EFBERN COc1cc(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000596572818 479344458 /nfs/dbraw/zinc/34/44/58/479344458.db2.gz GPGMZLJXPQPXEX-XLKFXECMSA-N 0 0 334.294 2.991 10 5 EFBERN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000596576103 479345035 /nfs/dbraw/zinc/34/50/35/479345035.db2.gz ZXZBUFSGGXVUEZ-RFAUZJTJSA-N 0 0 338.314 2.787 10 5 EFBERN COC(=O)c1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000586760135 479345373 /nfs/dbraw/zinc/34/53/73/479345373.db2.gz SILMQLJTQYHFDP-GFCCVEGCSA-N 0 0 329.356 2.969 10 5 EFBERN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@](C)(C(F)F)O1 ZINC000596573892 479345404 /nfs/dbraw/zinc/34/54/04/479345404.db2.gz ZMOMLBRKTXDKMD-CPFSXVBKSA-N 0 0 344.343 2.848 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000596578545 479345978 /nfs/dbraw/zinc/34/59/78/479345978.db2.gz GKNMBPSDGFTCSB-UHFFFAOYSA-N 0 0 347.415 2.861 10 5 EFBERN COc1ccc(NC(=O)CN2CCC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000599597092 479346706 /nfs/dbraw/zinc/34/67/06/479346706.db2.gz VRZHWLJFECQMMO-LBPRGKRZSA-N 0 0 347.293 2.569 10 5 EFBERN Cc1ccn([C@@H](C)Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)n1 ZINC000596579581 479346921 /nfs/dbraw/zinc/34/69/21/479346921.db2.gz HLUOQPUNDLFAMI-LBPRGKRZSA-N 0 0 327.344 2.877 10 5 EFBERN CO[C@H]1CC[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000596581267 479347095 /nfs/dbraw/zinc/34/70/95/479347095.db2.gz CCWVYEGBJRBIHG-NEPJUHHUSA-N 0 0 332.360 2.915 10 5 EFBERN Cn1cnnc1C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456713 479348724 /nfs/dbraw/zinc/34/87/24/479348724.db2.gz FUSRIWFHBSBIRX-UHFFFAOYSA-N 0 0 338.371 2.656 10 5 EFBERN CC(C)[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000596585859 479349038 /nfs/dbraw/zinc/34/90/38/479349038.db2.gz ADBFBLIQKCEDAV-OAHLLOKOSA-N 0 0 331.376 2.705 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(-c3ccnn3C3CCOCC3)n2)s1 ZINC000596590312 479349774 /nfs/dbraw/zinc/34/97/74/479349774.db2.gz AUBGOVULNNKTBT-UHFFFAOYSA-N 0 0 347.356 2.921 10 5 EFBERN COc1ccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000586777436 479350443 /nfs/dbraw/zinc/35/04/43/479350443.db2.gz OXSCYTDEIXSDBT-ZANVPECISA-N 0 0 334.294 2.755 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000586777712 479350468 /nfs/dbraw/zinc/35/04/68/479350468.db2.gz WAZBYODEEVLEGQ-GWCFXTLKSA-N 0 0 334.294 2.625 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000586777521 479350605 /nfs/dbraw/zinc/35/06/05/479350605.db2.gz QWQZGEONJZHDOY-GWCFXTLKSA-N 0 0 334.294 2.625 10 5 EFBERN CC1(C)CN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000593460468 479350689 /nfs/dbraw/zinc/35/06/89/479350689.db2.gz CKEFVRHQOXTDQK-UHFFFAOYSA-N 0 0 330.388 2.666 10 5 EFBERN O=C1CCCN1C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461486 479350750 /nfs/dbraw/zinc/35/07/50/479350750.db2.gz PQTATNVIRYSSRW-UHFFFAOYSA-N 0 0 340.383 2.734 10 5 EFBERN CCOC(=O)[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593460023 479350771 /nfs/dbraw/zinc/35/07/71/479350771.db2.gz ZPCFZFGMIZHWBU-LBPRGKRZSA-N 0 0 329.356 2.923 10 5 EFBERN CC(=O)N1CCC(CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461625 479350785 /nfs/dbraw/zinc/35/07/85/479350785.db2.gz SBLDPHBBFIZZIO-UHFFFAOYSA-N 0 0 328.372 2.813 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCO[C@@H](C(F)(F)F)C1 ZINC000593460261 479351079 /nfs/dbraw/zinc/35/10/79/479351079.db2.gz BEDGODRLJSFNJM-CYBMUJFWSA-N 0 0 327.262 2.911 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCCOC[C@@H]1CCOC1 ZINC000593460236 479351154 /nfs/dbraw/zinc/35/11/54/479351154.db2.gz APCFIORNAXFMBF-ZDUSSCGKSA-N 0 0 331.372 2.998 10 5 EFBERN Cn1cc(C[C@@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)cn1 ZINC000593463937 479351618 /nfs/dbraw/zinc/35/16/18/479351618.db2.gz CQZJUGVSVGBOFW-ZDUSSCGKSA-N 0 0 337.383 2.946 10 5 EFBERN C[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)[C@@H](C)N1CCOCC1 ZINC000593461958 479351630 /nfs/dbraw/zinc/35/16/30/479351630.db2.gz WMSCRHHYDLFLBO-CHWSQXEVSA-N 0 0 330.388 2.664 10 5 EFBERN O=C1CCCCN1CCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593462510 479351952 /nfs/dbraw/zinc/35/19/52/479351952.db2.gz CZUKVLXLMYABTG-UHFFFAOYSA-N 0 0 328.372 2.958 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000586777831 479351962 /nfs/dbraw/zinc/35/19/62/479351962.db2.gz YVZWHXCAYIBWDL-NOZJJQNGSA-N 0 0 334.294 2.755 10 5 EFBERN COc1cc(Cc2noc([C@@H]3CC[C@H](OC)C3)n2)ccc1[N+](=O)[O-] ZINC000596596208 479352371 /nfs/dbraw/zinc/35/23/71/479352371.db2.gz KOZZSVSHKLIBHU-NEPJUHHUSA-N 0 0 333.344 2.860 10 5 EFBERN COc1cc(Cc2noc(C[C@@H](C)[C@@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000596596365 479352455 /nfs/dbraw/zinc/35/24/55/479352455.db2.gz OKPRGFFXGRIGML-RISCZKNCSA-N 0 0 347.371 2.935 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCOCC2(CCOCC2)C1 ZINC000593466258 479352741 /nfs/dbraw/zinc/35/27/41/479352741.db2.gz CUQGTWJJMANHFA-UHFFFAOYSA-N 0 0 343.383 2.776 10 5 EFBERN CCOCCO[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593466081 479352828 /nfs/dbraw/zinc/35/28/28/479352828.db2.gz HIYUHGVBWRZLCK-AWEZNQCLSA-N 0 0 331.372 2.775 10 5 EFBERN COc1cc(Cc2noc(C[C@H](C)[C@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000596596366 479352800 /nfs/dbraw/zinc/35/28/00/479352800.db2.gz OKPRGFFXGRIGML-SMDDNHRTSA-N 0 0 347.371 2.935 10 5 EFBERN COc1cc(CN2Cc3cnn(C)c3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596597963 479353389 /nfs/dbraw/zinc/35/33/89/479353389.db2.gz HCJKRIJSUJKABU-UHFFFAOYSA-N 0 0 344.415 2.921 10 5 EFBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@]2(CCOC2)O1 ZINC000593468404 479355611 /nfs/dbraw/zinc/35/56/11/479355611.db2.gz HAULVZLBCFWCKD-PXAZEXFGSA-N 0 0 329.356 2.527 10 5 EFBERN O=[N+]([O-])c1cc(-c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)ccc1-n1cncn1 ZINC000596603738 479355991 /nfs/dbraw/zinc/35/59/91/479355991.db2.gz XKBSNUDWODDTHM-GDNZZTSVSA-N 0 0 338.327 2.739 10 5 EFBERN CC(=O)NCC[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593471992 479356111 /nfs/dbraw/zinc/35/61/11/479356111.db2.gz DCSAQYRRYUQILP-AWEZNQCLSA-N 0 0 342.399 2.886 10 5 EFBERN C[C@H](C(=O)NC(C)(C)C)N(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593469666 479356620 /nfs/dbraw/zinc/35/66/20/479356620.db2.gz GQXMXUVODFBJFZ-LLVKDONJSA-N 0 0 330.388 2.882 10 5 EFBERN O=C([C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1)N1CCCC1 ZINC000593474291 479357651 /nfs/dbraw/zinc/35/76/51/479357651.db2.gz BJSUMQYUSKEWDD-CYBMUJFWSA-N 0 0 340.383 2.592 10 5 EFBERN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCCOC2)O1 ZINC000593474249 479357700 /nfs/dbraw/zinc/35/77/00/479357700.db2.gz LZLZZXNXVXEWQH-FZKQIMNGSA-N 0 0 343.383 2.917 10 5 EFBERN COc1ccc(Cl)c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000593479592 479359918 /nfs/dbraw/zinc/35/99/18/479359918.db2.gz GVDOVYCJMJGDEO-UHFFFAOYSA-N 0 0 348.790 2.978 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000596618887 479360821 /nfs/dbraw/zinc/36/08/21/479360821.db2.gz DMQRGZWAURPNMV-RYUDHWBXSA-N 0 0 348.277 2.517 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000611372948 479361024 /nfs/dbraw/zinc/36/10/24/479361024.db2.gz WOQRUNCORSVNDK-GFCCVEGCSA-N 0 0 343.387 2.914 10 5 EFBERN O=C1[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]2CCCCN12 ZINC000593482428 479361386 /nfs/dbraw/zinc/36/13/86/479361386.db2.gz OWBOVCYLDGGWND-BDJLRTHQSA-N 0 0 326.356 2.708 10 5 EFBERN COc1cc(OCc2nc(-c3nc(C)c(C)[nH]3)no2)ccc1[N+](=O)[O-] ZINC000596622169 479361368 /nfs/dbraw/zinc/36/13/68/479361368.db2.gz ZJDNKXQAJQUKLK-UHFFFAOYSA-N 0 0 345.315 2.572 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CCn2cc(C)nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000599634907 479361825 /nfs/dbraw/zinc/36/18/25/479361825.db2.gz MPQGBKLMYOSLKO-GDBMZVCRSA-N 0 0 342.399 2.930 10 5 EFBERN CC[C@H](NC(=O)[C@@H]1CCn2cc(C)nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000599635089 479362246 /nfs/dbraw/zinc/36/22/46/479362246.db2.gz MPQGBKLMYOSLKO-ZBFHGGJFSA-N 0 0 342.399 2.930 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCCC[C@@H]1CCO ZINC000586835341 479362579 /nfs/dbraw/zinc/36/25/79/479362579.db2.gz XSIIWTGVXLNATG-CQSZACIVSA-N 0 0 336.388 2.517 10 5 EFBERN C[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1[N+](=O)[O-] ZINC000611385364 479362896 /nfs/dbraw/zinc/36/28/96/479362896.db2.gz UCVQIVPOUCAZCC-HWPZZCPQSA-N 0 0 330.315 2.915 10 5 EFBERN CC[C@H](OCCNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000593489929 479364466 /nfs/dbraw/zinc/36/44/66/479364466.db2.gz YVCPJMVDDYYYMS-HNNXBMFYSA-N 0 0 344.371 2.669 10 5 EFBERN CCc1nn(C)c(N2CCC3(CC2)C(F)(F)C3(F)F)c1[N+](=O)[O-] ZINC000593489134 479364857 /nfs/dbraw/zinc/36/48/57/479364857.db2.gz FGZXSPHEWFJEKW-UHFFFAOYSA-N 0 0 336.289 2.762 10 5 EFBERN COC(=O)[C@](C)(NCCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000599642318 479365144 /nfs/dbraw/zinc/36/51/44/479365144.db2.gz DVDRCSBLBLCPHD-MRXNPFEDSA-N 0 0 349.412 2.580 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C2CC2)C2CCOCC2)c1 ZINC000593493423 479365170 /nfs/dbraw/zinc/36/51/70/479365170.db2.gz VHDKHTJYMLFXEI-INIZCTEOSA-N 0 0 334.372 2.999 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000596635155 479366117 /nfs/dbraw/zinc/36/61/17/479366117.db2.gz HRJNARBLNAMKPE-LBPRGKRZSA-N 0 0 335.360 2.614 10 5 EFBERN COC(=O)[C@](C)(NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000599643738 479366363 /nfs/dbraw/zinc/36/63/63/479366363.db2.gz QKFACEVUKHNVBP-GOSISDBHSA-N 0 0 344.367 2.781 10 5 EFBERN CC(C)(C)OC(=O)CN(CC1CC1)c1ncc([N+](=O)[O-])cc1F ZINC000593497039 479366468 /nfs/dbraw/zinc/36/64/68/479366468.db2.gz KDZBZPYATLTGPL-UHFFFAOYSA-N 0 0 325.340 2.687 10 5 EFBERN Cc1ccc(-c2ccc(C(=O)NC3CCOCC3)nc2)cc1[N+](=O)[O-] ZINC000596639728 479367839 /nfs/dbraw/zinc/36/78/39/479367839.db2.gz TWWOHVAHXDXNIR-UHFFFAOYSA-N 0 0 341.367 2.874 10 5 EFBERN CCc1nc(C)c(CN[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)o1 ZINC000599650134 479368671 /nfs/dbraw/zinc/36/86/71/479368671.db2.gz FXHXEGINIZDNKD-QGZVFWFLSA-N 0 0 347.371 2.632 10 5 EFBERN CCN(CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000587036349 479369506 /nfs/dbraw/zinc/36/95/06/479369506.db2.gz WQGYOQXGJXNJEP-UHFFFAOYSA-N 0 0 344.415 2.998 10 5 EFBERN COC(=O)[C@@](C)(NC[C@@H](CC(C)C)OC)c1cccc([N+](=O)[O-])c1 ZINC000599650278 479370062 /nfs/dbraw/zinc/37/00/62/479370062.db2.gz HDBBVIBDFQOWOT-WBVHZDCISA-N 0 0 338.404 2.634 10 5 EFBERN CCc1cccc(CNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])c1 ZINC000593507670 479370420 /nfs/dbraw/zinc/37/04/20/479370420.db2.gz BRQKQBBSROUNKJ-UHFFFAOYSA-N 0 0 349.412 2.677 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCC1(CO)CCC1 ZINC000593511314 479371146 /nfs/dbraw/zinc/37/11/46/479371146.db2.gz KHKMXYRPCZCSNK-UHFFFAOYSA-N 0 0 331.372 2.538 10 5 EFBERN CCS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596647415 479371369 /nfs/dbraw/zinc/37/13/69/479371369.db2.gz JLRUNHCZEGFSEQ-UHFFFAOYSA-N 0 0 335.381 2.590 10 5 EFBERN O=C1NCCCN1c1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000596647112 479371436 /nfs/dbraw/zinc/37/14/36/479371436.db2.gz AWCBKTOYPOGDQG-UHFFFAOYSA-N 0 0 341.367 2.716 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000587404685 479371493 /nfs/dbraw/zinc/37/14/93/479371493.db2.gz FOKWXYNPOKHLGZ-CPCISQLKSA-N 0 0 336.241 2.526 10 5 EFBERN Cc1c(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000587426069 479371626 /nfs/dbraw/zinc/37/16/26/479371626.db2.gz ZQJOWPRCNPMIRC-PELKAZGASA-N 0 0 332.278 2.695 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000587405129 479371857 /nfs/dbraw/zinc/37/18/57/479371857.db2.gz MKHIPWNBQDHNPZ-WRWORJQWSA-N 0 0 336.241 2.526 10 5 EFBERN COc1ccc(CCCN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587415653 479371884 /nfs/dbraw/zinc/37/18/84/479371884.db2.gz AEVPZIVFBAYSOI-UHFFFAOYSA-N 0 0 345.399 2.747 10 5 EFBERN C[C@H](Cc1ccco1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596651504 479372211 /nfs/dbraw/zinc/37/22/11/479372211.db2.gz VAISIKSGZJNEQW-CQSZACIVSA-N 0 0 343.383 2.715 10 5 EFBERN CCc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000587434190 479372596 /nfs/dbraw/zinc/37/25/96/479372596.db2.gz OTMJXHGAYQUCEJ-ZANVPECISA-N 0 0 346.305 2.949 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000587434195 479372866 /nfs/dbraw/zinc/37/28/66/479372866.db2.gz PJBISJHKHPFOGM-ZWNOBZJWSA-N 0 0 346.305 2.706 10 5 EFBERN CCCCOc1ncccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587510648 479373034 /nfs/dbraw/zinc/37/30/34/479373034.db2.gz UHYRAYRLHINJPI-UHFFFAOYSA-N 0 0 346.387 2.855 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@H]21 ZINC000599657370 479374601 /nfs/dbraw/zinc/37/46/01/479374601.db2.gz JWYIXVWJJXJOJH-SQWLQELKSA-N 0 0 336.363 2.898 10 5 EFBERN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCc2ccc(F)cc21 ZINC000593519291 479375467 /nfs/dbraw/zinc/37/54/67/479375467.db2.gz ZBENOPJUDCHBKS-NSHDSACASA-N 0 0 345.374 2.975 10 5 EFBERN CC(=O)c1cc(N2CCC[C@H](NC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000587739849 479375728 /nfs/dbraw/zinc/37/57/28/479375728.db2.gz FSCRLEMFTKICGO-ZDUSSCGKSA-N 0 0 333.388 2.538 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@]2(CC2(F)F)C1 ZINC000593521217 479375936 /nfs/dbraw/zinc/37/59/36/479375936.db2.gz NJCHWWDDHJMDEG-JTQLQIEISA-N 0 0 334.120 2.988 10 5 EFBERN COC(=O)[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1C1CC1 ZINC000593522566 479376122 /nfs/dbraw/zinc/37/61/22/479376122.db2.gz QOHFTAAFDWDHMV-LSDHHAIUSA-N 0 0 341.367 2.778 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@]2(CC2(F)F)C1 ZINC000593523760 479377051 /nfs/dbraw/zinc/37/70/51/479377051.db2.gz ZFTCEIZGFUTZTK-AWEZNQCLSA-N 0 0 326.299 2.925 10 5 EFBERN O=C(NC1CC1)c1ccc(N2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593523791 479377067 /nfs/dbraw/zinc/37/70/67/479377067.db2.gz ZZYNRDIWDGTQGA-OAHLLOKOSA-N 0 0 337.326 2.723 10 5 EFBERN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H]2COC[C@H]2O1 ZINC000593522816 479377471 /nfs/dbraw/zinc/37/74/71/479377471.db2.gz UUISVTZHTYGDAV-CHWSQXEVSA-N 0 0 346.305 2.996 10 5 EFBERN CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587981475 479378705 /nfs/dbraw/zinc/37/87/05/479378705.db2.gz OSUNUASVAIHDCS-MEDUHNTESA-N 0 0 337.420 2.923 10 5 EFBERN Cc1ccccc1[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000587985117 479379012 /nfs/dbraw/zinc/37/90/12/479379012.db2.gz SWBJUYVEGASMAS-QGZVFWFLSA-N 0 0 343.383 2.556 10 5 EFBERN C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000596664743 479379345 /nfs/dbraw/zinc/37/93/45/479379345.db2.gz DJHZYTIDTHKERK-CQSZACIVSA-N 0 0 342.399 2.977 10 5 EFBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1cccc(F)c1 ZINC000587986893 479379817 /nfs/dbraw/zinc/37/98/17/479379817.db2.gz VKWCASCKWONYMF-SNVBAGLBSA-N 0 0 335.335 2.688 10 5 EFBERN Cc1cccc(O[C@@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587986351 479380275 /nfs/dbraw/zinc/38/02/75/479380275.db2.gz TUUIVIVAOYXNRD-LBPRGKRZSA-N 0 0 331.372 2.857 10 5 EFBERN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593535087 479380327 /nfs/dbraw/zinc/38/03/27/479380327.db2.gz UXJHFQSMOILSGC-OAHLLOKOSA-N 0 0 347.396 2.824 10 5 EFBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000593534530 479380390 /nfs/dbraw/zinc/38/03/90/479380390.db2.gz CMAIBUNBLWOUAI-HNNXBMFYSA-N 0 0 347.396 2.762 10 5 EFBERN CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593537049 479380949 /nfs/dbraw/zinc/38/09/49/479380949.db2.gz IMSRBTSAOXJKML-UHFFFAOYSA-N 0 0 341.414 2.651 10 5 EFBERN CC(C)(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593538193 479381044 /nfs/dbraw/zinc/38/10/44/479381044.db2.gz QYAJYMHSYAQJAV-UHFFFAOYSA-N 0 0 349.412 2.636 10 5 EFBERN C[C@]1(c2ccccc2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587995393 479381444 /nfs/dbraw/zinc/38/14/44/479381444.db2.gz BKPBVKJYBFNVIO-SFHVURJKSA-N 0 0 327.384 2.837 10 5 EFBERN Nc1cc(N2CCc3ccc(F)c(F)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000588002290 479382101 /nfs/dbraw/zinc/38/21/01/479382101.db2.gz KHUSLEPEXQHWKH-UHFFFAOYSA-N 0 0 335.310 2.510 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC2CC2)C2CCCCC2)nc1 ZINC000593540881 479382506 /nfs/dbraw/zinc/38/25/06/479382506.db2.gz JALMKIGAVXDUOT-UHFFFAOYSA-N 0 0 339.417 2.723 10 5 EFBERN CC(C)(C)Oc1cccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)n1 ZINC000588009612 479384078 /nfs/dbraw/zinc/38/40/78/479384078.db2.gz YHEIKBJSTLOQQO-UHFFFAOYSA-N 0 0 346.387 2.854 10 5 EFBERN CC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547306 479384357 /nfs/dbraw/zinc/38/43/57/479384357.db2.gz UTNIUHPGPFLJFP-OAHLLOKOSA-N 0 0 347.396 2.688 10 5 EFBERN O=C(CN1CCCC2(CC2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599673274 479384432 /nfs/dbraw/zinc/38/44/32/479384432.db2.gz NQFNXZQDCLJSNO-UHFFFAOYSA-N 0 0 347.371 2.528 10 5 EFBERN C[C@H]1C[C@@H](c2cccnc2)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588016716 479384708 /nfs/dbraw/zinc/38/47/08/479384708.db2.gz OPMUBJASUQJCNY-ZBEGNZNMSA-N 0 0 328.372 2.652 10 5 EFBERN Nc1cc(NC2CC(OCc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588018541 479384818 /nfs/dbraw/zinc/38/48/18/479384818.db2.gz HSXMODCDPJRFHR-UHFFFAOYSA-N 0 0 343.383 2.829 10 5 EFBERN Cc1cc(C)c2c(c1)CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000588022073 479384889 /nfs/dbraw/zinc/38/48/89/479384889.db2.gz APEXSKWYOZELNO-UHFFFAOYSA-N 0 0 327.384 2.849 10 5 EFBERN C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588016714 479384919 /nfs/dbraw/zinc/38/49/19/479384919.db2.gz OPMUBJASUQJCNY-BZNIZROVSA-N 0 0 328.372 2.652 10 5 EFBERN Cc1nc([C@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)cs1 ZINC000588021258 479384934 /nfs/dbraw/zinc/38/49/34/479384934.db2.gz LESMPVSHILVDGY-CQSZACIVSA-N 0 0 334.401 2.776 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(O)CCCC(C)(C)C2)n1 ZINC000588027464 479385370 /nfs/dbraw/zinc/38/53/70/479385370.db2.gz CUWORNCIUJYFNL-INIZCTEOSA-N 0 0 337.376 2.520 10 5 EFBERN CC[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593551808 479385730 /nfs/dbraw/zinc/38/57/30/479385730.db2.gz FJEKQWIKVGFUGV-CQSZACIVSA-N 0 0 349.412 2.632 10 5 EFBERN CCC[C@@H]1[C@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553425 479385998 /nfs/dbraw/zinc/38/59/98/479385998.db2.gz XHTMUFGTWDKOQP-DGCLKSJQSA-N 0 0 327.406 2.579 10 5 EFBERN Cc1cccc2c1OCC[C@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588030068 479385814 /nfs/dbraw/zinc/38/58/14/479385814.db2.gz HLVPGKFQVZFZPT-OAHLLOKOSA-N 0 0 329.356 2.913 10 5 EFBERN CCO[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000588034976 479386249 /nfs/dbraw/zinc/38/62/49/479386249.db2.gz AORRVKXKTJJNLE-MRXNPFEDSA-N 0 0 331.372 2.859 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(C2CCOCC2)C1 ZINC000588042264 479387755 /nfs/dbraw/zinc/38/77/55/479387755.db2.gz AKILOBMIDMYNIU-UHFFFAOYSA-N 0 0 334.372 2.553 10 5 EFBERN COc1ccc(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000611475583 479388705 /nfs/dbraw/zinc/38/87/05/479388705.db2.gz CGMPWUDLZVALKX-NSHDSACASA-N 0 0 330.344 2.828 10 5 EFBERN CC1(C)C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000593564851 479389590 /nfs/dbraw/zinc/38/95/90/479389590.db2.gz ADYKLJFQGKWDCV-AWEZNQCLSA-N 0 0 347.396 2.691 10 5 EFBERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H](C)C2 ZINC000593571645 479390794 /nfs/dbraw/zinc/39/07/94/479390794.db2.gz IKPBUINNAWNERW-BZNIZROVSA-N 0 0 347.396 2.510 10 5 EFBERN C[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H]1F ZINC000611494212 479395151 /nfs/dbraw/zinc/39/51/51/479395151.db2.gz HJMCTIDZAFYYGK-DGCLKSJQSA-N 0 0 346.362 2.744 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)[C@@H](F)C2)c1C ZINC000611497133 479396156 /nfs/dbraw/zinc/39/61/56/479396156.db2.gz QFCLBWIMZBVLGX-PWSUYJOCSA-N 0 0 330.381 2.580 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCCC1(F)F ZINC000588144668 479398477 /nfs/dbraw/zinc/39/84/77/479398477.db2.gz RBLRQABVCKBQSD-LLVKDONJSA-N 0 0 334.344 2.678 10 5 EFBERN CCc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000611503408 479398869 /nfs/dbraw/zinc/39/88/69/479398869.db2.gz PNRURAXVXQZGEW-UHFFFAOYSA-N 0 0 338.751 2.585 10 5 EFBERN CC(C)C[C@]1(C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593604025 479400159 /nfs/dbraw/zinc/40/01/59/479400159.db2.gz YRPQMUFNYZZEAU-AWEZNQCLSA-N 0 0 327.406 2.579 10 5 EFBERN Cc1ccc(CC(C)(C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593607339 479400910 /nfs/dbraw/zinc/40/09/10/479400910.db2.gz DRRPSVWNDLGROT-UHFFFAOYSA-N 0 0 349.412 2.598 10 5 EFBERN O=C(N[C@H]1CCCC1(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000588180258 479403295 /nfs/dbraw/zinc/40/32/95/479403295.db2.gz OPVFORNXNKLOTG-ZDUSSCGKSA-N 0 0 336.298 2.698 10 5 EFBERN CN(CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000611525219 479405009 /nfs/dbraw/zinc/40/50/09/479405009.db2.gz OGVILLULELIOCR-UHFFFAOYSA-N 0 0 330.388 2.608 10 5 EFBERN Nc1cc(NCCOc2ccc(Cl)cc2)cc(CO)c1[N+](=O)[O-] ZINC000611525119 479405095 /nfs/dbraw/zinc/40/50/95/479405095.db2.gz JFCVTCXGQQAQAV-UHFFFAOYSA-N 0 0 337.763 2.814 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1COc2cc(F)ccc2C1 ZINC000599718707 479405316 /nfs/dbraw/zinc/40/53/16/479405316.db2.gz USZMCZOSXVFEQA-AWEZNQCLSA-N 0 0 344.342 2.644 10 5 EFBERN Nc1cc(NCc2nc(-c3ccccc3)c[nH]2)cc(CO)c1[N+](=O)[O-] ZINC000611525652 479405392 /nfs/dbraw/zinc/40/53/92/479405392.db2.gz QPQIEOBGFLJFRG-UHFFFAOYSA-N 0 0 339.355 2.672 10 5 EFBERN COc1ccc(CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C2CC2)cc1 ZINC000611525395 479405482 /nfs/dbraw/zinc/40/54/82/479405482.db2.gz SLWUHJGRIYAQSL-UHFFFAOYSA-N 0 0 343.383 2.847 10 5 EFBERN COc1cccc(F)c1[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525999 479405591 /nfs/dbraw/zinc/40/55/91/479405591.db2.gz YFSAHSFMKOWABI-VIFPVBQESA-N 0 0 335.335 2.990 10 5 EFBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc2c(c1)OCO2 ZINC000611525595 479405767 /nfs/dbraw/zinc/40/57/67/479405767.db2.gz NETOWNFYQSPGDE-VIFPVBQESA-N 0 0 331.328 2.571 10 5 EFBERN CCOCc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000611525409 479406020 /nfs/dbraw/zinc/40/60/20/479406020.db2.gz UIKGCGLRPVRMDT-UHFFFAOYSA-N 0 0 331.372 2.818 10 5 EFBERN C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611541211 479410455 /nfs/dbraw/zinc/41/04/55/479410455.db2.gz HDGRIOANQZMGDX-BDAKNGLRSA-N 0 0 329.282 2.805 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593638978 479410723 /nfs/dbraw/zinc/41/07/23/479410723.db2.gz MFXXGVVCXHBCPE-JTQLQIEISA-N 0 0 333.319 2.557 10 5 EFBERN CSc1cccnc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000593642427 479411123 /nfs/dbraw/zinc/41/11/23/479411123.db2.gz JMVYSIFOGJJBOA-UHFFFAOYSA-N 0 0 345.380 2.615 10 5 EFBERN C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cscn1 ZINC000596743535 479411136 /nfs/dbraw/zinc/41/11/36/479411136.db2.gz JHXOPYVWYORLSZ-JTQLQIEISA-N 0 0 348.384 2.585 10 5 EFBERN CC[C@H](NC(=O)NCc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000611546548 479411694 /nfs/dbraw/zinc/41/16/94/479411694.db2.gz NTVPTRBEBDLCLE-LBPRGKRZSA-N 0 0 335.389 2.705 10 5 EFBERN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000593650343 479413421 /nfs/dbraw/zinc/41/34/21/479413421.db2.gz YKLYVYAFXXHPFL-ZDUSSCGKSA-N 0 0 346.408 2.945 10 5 EFBERN O=C(NCc1ccc(Cl)o1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000603616449 479414211 /nfs/dbraw/zinc/41/42/11/479414211.db2.gz KFWYJNRWQUGFGM-UHFFFAOYSA-N 0 0 346.730 2.957 10 5 EFBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCn2c(CC3CC3)nnc2C1 ZINC000593658120 479414591 /nfs/dbraw/zinc/41/45/91/479414591.db2.gz QZGIZXLDUYGUHV-HYXAFXHYSA-N 0 0 339.399 2.668 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@H]1C1CCCC1 ZINC000593656232 479414936 /nfs/dbraw/zinc/41/49/36/479414936.db2.gz DIHBISOGFFVQOB-QWHCGFSZSA-N 0 0 328.372 2.914 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H](CCF)C1 ZINC000599752436 479414937 /nfs/dbraw/zinc/41/49/37/479414937.db2.gz IVWHETMBCDIQPK-LBPRGKRZSA-N 0 0 325.340 2.804 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593666199 479416411 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COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000611592945 479427525 /nfs/dbraw/zinc/42/75/25/479427525.db2.gz APGMUOVHNZVFIR-SNVBAGLBSA-N 0 0 345.302 2.839 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000596787714 479427412 /nfs/dbraw/zinc/42/74/12/479427412.db2.gz KGGHVJPPYFMOOE-GXSJLCMTSA-N 0 0 330.348 2.631 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(O)(C1CC1)C1CC1 ZINC000596787073 479427519 /nfs/dbraw/zinc/42/75/19/479427519.db2.gz COLUJPUJYHIALV-UHFFFAOYSA-N 0 0 333.388 2.884 10 5 EFBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593697631 479427624 /nfs/dbraw/zinc/42/76/24/479427624.db2.gz NHUYGWCTBHOOLB-OJXGTIETSA-N 0 0 332.400 2.876 10 5 EFBERN CC(C)CC[C@@H](CO)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599799958 479429239 /nfs/dbraw/zinc/42/92/39/479429239.db2.gz CTQAXYNQUZLYRJ-JTQLQIEISA-N 0 0 344.799 2.749 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599801825 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EFBERN CC(C)(NC(=O)[C@H]1CCCn2ccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000079754159 519314697 /nfs/dbraw/zinc/31/46/97/519314697.db2.gz UPAJQNJMQMQMRK-AWEZNQCLSA-N 0 0 328.372 2.720 10 5 EFBERN CC(=O)N(C)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000073359623 519454994 /nfs/dbraw/zinc/45/49/94/519454994.db2.gz MSDMKJKQRFJLSV-UHFFFAOYSA-N 0 0 327.340 2.759 10 5 EFBERN CC(C)N(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000121457649 519551589 /nfs/dbraw/zinc/55/15/89/519551589.db2.gz AHIMRANXXUMMGM-UHFFFAOYSA-N 0 0 335.404 2.813 10 5 EFBERN CC(C)c1csc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000154087004 519854508 /nfs/dbraw/zinc/85/45/08/519854508.db2.gz DJHAHANZEBMOOH-UHFFFAOYSA-N 0 0 347.443 2.715 10 5 EFBERN CC(C)c1nc([C@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000246202691 519868329 /nfs/dbraw/zinc/86/83/29/519868329.db2.gz BHBRBUQZXZMAQN-HUUCEWRRSA-N 0 0 346.387 2.972 10 5 EFBERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153692589 520526769 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CCN(CCc1nccs1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121079960 521179787 /nfs/dbraw/zinc/17/97/87/521179787.db2.gz QHCUJDVFAWZZQK-GFCCVEGCSA-N 0 0 348.428 2.943 10 5 EFBERN CC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000120427477 522358148 /nfs/dbraw/zinc/35/81/48/522358148.db2.gz KJGFVJBZDMKXRY-JTQLQIEISA-N 0 0 348.384 2.566 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccs2)C1 ZINC000161303172 534631080 /nfs/dbraw/zinc/63/10/80/534631080.db2.gz NYDJHYCNMRZTPK-AWEZNQCLSA-N 0 0 348.380 2.635 10 5 EFBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(C)noc1C ZINC000119372034 522682758 /nfs/dbraw/zinc/68/27/58/522682758.db2.gz LUKYHYYJSGDMHT-VIFPVBQESA-N 0 0 345.402 2.691 10 5 EFBERN CCc1nnc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1C ZINC000194696829 522751685 /nfs/dbraw/zinc/75/16/85/522751685.db2.gz QJCUWJJWDDCOFG-UHFFFAOYSA-N 0 0 330.266 2.884 10 5 EFBERN CCc1noc(C)c1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121060683 522876889 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COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(OC)c3)n2)cn1 ZINC000109588903 523277445 /nfs/dbraw/zinc/27/74/45/523277445.db2.gz VHRWGFIWOZVWRN-UHFFFAOYSA-N 0 0 328.284 2.724 10 5 EFBERN COc1ccc(-c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)cn1 ZINC000174841367 523288457 /nfs/dbraw/zinc/28/84/57/523288457.db2.gz PEURHUDMHNUJAW-UHFFFAOYSA-N 0 0 341.327 2.685 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000147557610 523335823 /nfs/dbraw/zinc/33/58/23/523335823.db2.gz PDPXUYCRLKFQQS-INIZCTEOSA-N 0 0 342.351 2.937 10 5 EFBERN COC(=O)Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000080061363 523378725 /nfs/dbraw/zinc/37/87/25/523378725.db2.gz APALNGYINNZQCW-UHFFFAOYSA-N 0 0 328.324 2.871 10 5 EFBERN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000154798926 523773369 /nfs/dbraw/zinc/77/33/69/523773369.db2.gz QTKHVOLPUZNHMM-ZNFPLGDCSA-N 0 0 340.383 2.878 10 5 EFBERN CN(C(=O)CCCNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000073303951 523800386 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C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2cc[nH]n2)CC1 ZINC000195506365 524280176 /nfs/dbraw/zinc/28/01/76/524280176.db2.gz GHNVKPRYSGIVTR-LBPRGKRZSA-N 0 0 343.387 2.525 10 5 EFBERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175143639 534778024 /nfs/dbraw/zinc/77/80/24/534778024.db2.gz MSKFPPQMUZCDPR-HNNXBMFYSA-N 0 0 329.360 2.796 10 5 EFBERN COc1ccccc1CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104456345 524404563 /nfs/dbraw/zinc/40/45/63/524404563.db2.gz KIHLCXZYWUVDDB-UHFFFAOYSA-N 0 0 328.368 2.847 10 5 EFBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000120108777 524700525 /nfs/dbraw/zinc/70/05/25/524700525.db2.gz PBTLTOJWKGKNDB-CYBMUJFWSA-N 0 0 344.367 2.769 10 5 EFBERN COc1ccccc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000153204810 524756674 /nfs/dbraw/zinc/75/66/74/524756674.db2.gz SVCHISCZNSBBTE-CYBMUJFWSA-N 0 0 341.367 2.937 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000189655151 524934765 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C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cn(-c2ccccc2)nn1 ZINC000155850539 525333731 /nfs/dbraw/zinc/33/37/31/525333731.db2.gz HCIJIKSRVZMBSW-SNVBAGLBSA-N 0 0 343.368 2.728 10 5 EFBERN Cc1ccc(OC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000180869174 525374557 /nfs/dbraw/zinc/37/45/57/525374557.db2.gz OIBXYJBCFZECIH-UHFFFAOYSA-N 0 0 341.367 2.982 10 5 EFBERN Cc1ccc(OCCN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180610689 525416390 /nfs/dbraw/zinc/41/63/90/525416390.db2.gz DDNAOCIKRBHFIY-UHFFFAOYSA-N 0 0 329.356 2.636 10 5 EFBERN Cc1c(Br)c(N2CCC([C@H](C)O)CC2)ncc1[N+](=O)[O-] ZINC000230582340 525524298 /nfs/dbraw/zinc/52/42/98/525524298.db2.gz TUMXVUHIZKHNGE-VIFPVBQESA-N 0 0 344.209 2.658 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000177850088 525558611 /nfs/dbraw/zinc/55/86/11/525558611.db2.gz WVZSASFOEGBECR-AWEZNQCLSA-N 0 0 334.372 2.850 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000081655494 525559031 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Cc1c(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000136924559 525844269 /nfs/dbraw/zinc/84/42/69/525844269.db2.gz COQIQXIWDIEFDS-AWEZNQCLSA-N 0 0 342.355 2.983 10 5 EFBERN Cc1c(NC(=O)N[C@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000152438958 525850116 /nfs/dbraw/zinc/85/01/16/525850116.db2.gz RFJGAWULDAEIOA-LLVKDONJSA-N 0 0 344.375 2.714 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC2(CC2)c2ccccc21 ZINC000184557766 534886866 /nfs/dbraw/zinc/88/68/66/534886866.db2.gz KHKTUTBZXOYLLK-UHFFFAOYSA-N 0 0 344.392 2.976 10 5 EFBERN O=[N+]([O-])c1cnc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)s1 ZINC000192506166 534888705 /nfs/dbraw/zinc/88/87/05/534888705.db2.gz XIAQRLVMOXBTAM-KCJUWKMLSA-N 0 0 327.312 2.642 10 5 EFBERN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000071526503 525929142 /nfs/dbraw/zinc/92/91/42/525929142.db2.gz ZDIJOKXBORUMQA-UHFFFAOYSA-N 0 0 329.356 2.827 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067877545 526087055 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O=[N+]([O-])c1ccc(S(=O)(=O)NC/C=C\c2ccccc2)c(F)c1 ZINC000255112718 527375061 /nfs/dbraw/zinc/37/50/61/527375061.db2.gz FSVBQLGOEOMCGE-DAXSKMNVSA-N 0 0 336.344 2.726 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCc2cccc(F)c2)s1 ZINC000068939016 527375369 /nfs/dbraw/zinc/37/53/69/527375369.db2.gz BKOHCYDSPJOPJU-UHFFFAOYSA-N 0 0 344.389 2.707 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c(F)cccc3C2)s1 ZINC000119465566 527376124 /nfs/dbraw/zinc/37/61/24/527376124.db2.gz QKEBOLDRNSXAOE-UHFFFAOYSA-N 0 0 342.373 2.542 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)s1 ZINC000064240809 527377290 /nfs/dbraw/zinc/37/72/90/527377290.db2.gz XXGCNDFDFBXFNS-UHFFFAOYSA-N 0 0 332.790 2.788 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc4c(c3)OCCO4)n2)c1 ZINC000076107014 527383144 /nfs/dbraw/zinc/38/31/44/527383144.db2.gz ADOVNXQDUVGHOO-UHFFFAOYSA-N 0 0 338.323 2.673 10 5 EFBERN O=[N+]([O-])c1cccc(OCCN2CCO[C@H](c3nccs3)C2)c1 ZINC000195521777 527391746 /nfs/dbraw/zinc/39/17/46/527391746.db2.gz 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CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(Cl)c2)n1 ZINC000755591281 575604660 /nfs/dbraw/zinc/60/46/60/575604660.db2.gz KCZBIBWDWDTXIJ-UHFFFAOYSA-N 0 0 337.719 2.504 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCc2ncc(-c3cccs3)o2)n1 ZINC000755591817 575604799 /nfs/dbraw/zinc/60/47/99/575604799.db2.gz MPOVTSRJQJVTCE-UHFFFAOYSA-N 0 0 348.340 2.885 10 5 EFBERN CC[C@H](OC(=O)c1nn(CC)cc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000755594863 575605466 /nfs/dbraw/zinc/60/54/66/575605466.db2.gz YTXZICYHNXGSEB-ZDUSSCGKSA-N 0 0 331.328 2.630 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCc2cccc(F)c2Cl)n1 ZINC000755595157 575605548 /nfs/dbraw/zinc/60/55/48/575605548.db2.gz ZUEWAXYFHRCKHB-UHFFFAOYSA-N 0 0 327.699 2.961 10 5 EFBERN C[C@@H](OC(=O)[C@H](C)n1nnnc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000755629982 575610566 /nfs/dbraw/zinc/61/05/66/575610566.db2.gz PZBOCDHLPYPDNV-WDEREUQCSA-N 0 0 347.375 2.744 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(C2CC2)n1 ZINC000755665417 575615154 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Cc1cc(F)cc(C(=O)NCCc2cnc(C3CC3)nc2)c1[N+](=O)[O-] ZINC000756087572 575681879 /nfs/dbraw/zinc/68/18/79/575681879.db2.gz NKUDZZHTPYMUKI-UHFFFAOYSA-N 0 0 344.346 2.682 10 5 EFBERN CC[C@H](C)C(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000756336484 575719514 /nfs/dbraw/zinc/71/95/14/575719514.db2.gz KUDIXSDZRVGPMB-ZDUSSCGKSA-N 0 0 348.399 2.970 10 5 EFBERN CC[C@@H](C)C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000756345647 575720869 /nfs/dbraw/zinc/72/08/69/575720869.db2.gz ROVTWRPFONSXPP-GFCCVEGCSA-N 0 0 334.372 2.967 10 5 EFBERN CCOc1cc(C(=O)OCC(=O)[C@@H](C)CC)c([N+](=O)[O-])cc1OC ZINC000756347478 575721121 /nfs/dbraw/zinc/72/11/21/575721121.db2.gz BXMNXGOVLBQNSB-JTQLQIEISA-N 0 0 339.344 2.774 10 5 EFBERN CCOc1cc(C(=O)OCC(=O)[C@H](C)CC)c([N+](=O)[O-])cc1OC ZINC000756347480 575721178 /nfs/dbraw/zinc/72/11/78/575721178.db2.gz BXMNXGOVLBQNSB-SNVBAGLBSA-N 0 0 339.344 2.774 10 5 EFBERN CCOC(=O)c1cc(C(=O)OCC(=O)[C@@H](C)CC)cc([N+](=O)[O-])c1 ZINC000756349052 575721481 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O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001687456257 1258348741 /nfs/dbraw/zinc/34/87/41/1258348741.db2.gz XIEAMAGGKAYZML-AFAVFJNCSA-N 0 0 345.399 2.946 10 5 EFBERN CC(C)Cc1ccccc1COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000922547066 1266224596 /nfs/dbraw/zinc/22/45/96/1266224596.db2.gz LDDGDYYMOHKMJL-UHFFFAOYSA-N 0 0 344.367 2.698 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NC1([C@H]2CCCCO2)CC1 ZINC000921681372 1260506559 /nfs/dbraw/zinc/50/65/59/1260506559.db2.gz VERPNSBHVBCDFF-OAHLLOKOSA-N 0 0 333.388 2.538 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCS[C@@H](C)C2)c1C ZINC000921712957 1261252306 /nfs/dbraw/zinc/25/23/06/1261252306.db2.gz RVUXUHIZMMEEBO-JQWIXIFHSA-N 0 0 344.458 2.774 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@@H]2CCS[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000921716584 1261265645 /nfs/dbraw/zinc/26/56/45/1261265645.db2.gz XVLBNDWKLJOBBL-VXNVDRBHSA-N 0 0 336.460 2.527 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2nccnc2Cl)c(Br)c1 ZINC001163384122 1261439805 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EFBERN COC(=O)NCCCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000791444130 1278107321 /nfs/dbraw/zinc/10/73/21/1278107321.db2.gz UGDNADYXLZBSMF-UHFFFAOYSA-N 0 0 337.376 2.967 10 5 EFBERN CCn1nc(C(=O)OCCOc2ccccc2[N+](=O)[O-])cc1C1CC1 ZINC000923511444 1261816851 /nfs/dbraw/zinc/81/68/51/1261816851.db2.gz QMJJZIXWJHJENB-UHFFFAOYSA-N 0 0 345.355 2.924 10 5 EFBERN Cc1cc(N(C)CCNC(=O)C(C)(C)C(C)(F)F)ncc1[N+](=O)[O-] ZINC001487402444 1261844821 /nfs/dbraw/zinc/84/48/21/1261844821.db2.gz DPQBMRJFADLVNG-UHFFFAOYSA-N 0 0 344.362 2.532 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001272935962 1262416217 /nfs/dbraw/zinc/41/62/17/1262416217.db2.gz VBTBUKBWBRFCJO-MRXNPFEDSA-N 0 0 330.315 2.948 10 5 EFBERN Nc1c(C(=O)Nc2cnn3ccccc23)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001168683120 1262481314 /nfs/dbraw/zinc/48/13/14/1262481314.db2.gz MEFRHQBOOOHCEK-UHFFFAOYSA-N 0 0 349.709 2.870 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922647787 1266510683 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EFBERN O=C(OCCc1ccc([N+](=O)[O-])cc1)C(F)(F)C1CCOCC1 ZINC000791604216 1278211482 /nfs/dbraw/zinc/21/14/82/1278211482.db2.gz OTUAPYLYOSMVHP-UHFFFAOYSA-N 0 0 329.299 2.742 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001136915549 1278219891 /nfs/dbraw/zinc/21/98/91/1278219891.db2.gz HHCSJARRNHMTDN-DGCLKSJQSA-N 0 0 343.383 2.611 10 5 EFBERN CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000922082651 1264323568 /nfs/dbraw/zinc/32/35/68/1264323568.db2.gz HAZSVXOMSOTRJS-QGZVFWFLSA-N 0 0 346.358 2.859 10 5 EFBERN C[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000922096129 1264359291 /nfs/dbraw/zinc/35/92/91/1264359291.db2.gz FSPIVLLMEQQGSE-INIZCTEOSA-N 0 0 348.380 2.571 10 5 EFBERN CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000922108310 1264408054 /nfs/dbraw/zinc/40/80/54/1264408054.db2.gz GNCXRRPJEQIGFD-MRXNPFEDSA-N 0 0 344.367 2.556 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922141373 1264512276 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ZINC000824689657 1278248084 /nfs/dbraw/zinc/24/80/84/1278248084.db2.gz RGPMWBWHZCHNCE-UHFFFAOYSA-N 0 0 336.323 2.603 10 5 EFBERN COC(=O)/C=C/c1ccc(NC[C@H](OC)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000733303459 1265152098 /nfs/dbraw/zinc/15/20/98/1265152098.db2.gz QVTOBPWMVWVLMB-FUEXJSSKSA-N 0 0 348.277 2.770 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OC[C@@H]1CCC2(COC2)O1 ZINC000922610754 1266456327 /nfs/dbraw/zinc/45/63/27/1266456327.db2.gz DHTLHVVSDMPRMH-NSHDSACASA-N 0 0 341.747 2.661 10 5 EFBERN O=C(OCc1cc(Cl)ccc1OCC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128504635 1266479844 /nfs/dbraw/zinc/47/98/44/1266479844.db2.gz CHMCIEDSIBKFRT-CHWSQXEVSA-N 0 0 325.748 2.837 10 5 EFBERN Cc1cc(Cl)c(C(=O)OC[C@@H]2CCC3(COC3)O2)cc1[N+](=O)[O-] ZINC000922762378 1266751140 /nfs/dbraw/zinc/75/11/40/1266751140.db2.gz GXSQHXYQVVAKNT-JTQLQIEISA-N 0 0 341.747 2.661 10 5 EFBERN O=C(OCc1cc([N+](=O)[O-])ccc1Br)[C@H](O)C1CCC1 ZINC000922792171 1266814314 /nfs/dbraw/zinc/81/43/14/1266814314.db2.gz RGKWICPSMYJXEW-GFCCVEGCSA-N 0 0 344.161 2.562 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC3(COC3)O2)cc1Cl ZINC000922794051 1266825909 /nfs/dbraw/zinc/82/59/09/1266825909.db2.gz KQTFWWIMGSIJMV-JTQLQIEISA-N 0 0 341.747 2.661 10 5 EFBERN CCOc1cc(NC(=O)N2CC[C@](C)(COC)C2)ccc1[N+](=O)[O-] ZINC000824346802 1266873144 /nfs/dbraw/zinc/87/31/44/1266873144.db2.gz FLIQMYIYEGBIBR-INIZCTEOSA-N 0 0 337.376 2.884 10 5 EFBERN Cc1sc(=O)n(CCC(=O)OCc2csc([N+](=O)[O-])c2)c1C ZINC000734594694 1267029097 /nfs/dbraw/zinc/02/90/97/1267029097.db2.gz YSPDZZADJXIXQS-UHFFFAOYSA-N 0 0 342.398 2.630 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2cccc(F)n2)CC1 ZINC000824815481 1278300347 /nfs/dbraw/zinc/30/03/47/1278300347.db2.gz QMMXWCKLVJBJQO-UHFFFAOYSA-N 0 0 330.363 2.760 10 5 EFBERN Cn1ccc(C2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)n1 ZINC000825638584 1267122727 /nfs/dbraw/zinc/12/27/27/1267122727.db2.gz DQQSKQZOAOSLLI-UHFFFAOYSA-N 0 0 344.400 2.717 10 5 EFBERN O=[N+]([O-])c1cnccc1NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735668255 1267400140 /nfs/dbraw/zinc/40/01/40/1267400140.db2.gz CVCXZYKOSSCYRD-ZDUSSCGKSA-N 0 0 328.155 2.864 10 5 EFBERN Cc1ccn2ncc(C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)c2n1 ZINC000735903208 1267451814 /nfs/dbraw/zinc/45/18/14/1267451814.db2.gz HQEPDIWXHWQCAS-UHFFFAOYSA-N 0 0 346.730 2.956 10 5 EFBERN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC=CC12CCCC2 ZINC000827900792 1267515192 /nfs/dbraw/zinc/51/51/92/1267515192.db2.gz QGJXMQSQKKDJAY-UHFFFAOYSA-N 0 0 339.355 2.500 10 5 EFBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc(C(N)=O)c1 ZINC001273339459 1267616050 /nfs/dbraw/zinc/61/60/50/1267616050.db2.gz XLAKSPAFZRPPER-UHFFFAOYSA-N 0 0 331.303 2.702 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)n1 ZINC001128569829 1268280317 /nfs/dbraw/zinc/28/03/17/1268280317.db2.gz FRCSEVWQOFJACG-BXKDBHETSA-N 0 0 348.277 2.813 10 5 EFBERN COC(=O)CC1(NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000791880271 1278405743 /nfs/dbraw/zinc/40/57/43/1278405743.db2.gz 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2.941 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000791258629 1278005044 /nfs/dbraw/zinc/00/50/44/1278005044.db2.gz KTPHJDPJOQGZGC-TZMCWYRMSA-N 0 0 341.770 2.507 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C3OCCO3)c2)c1 ZINC000791260919 1278005375 /nfs/dbraw/zinc/00/53/75/1278005375.db2.gz ZUVUBVLUJHDMAT-UHFFFAOYSA-N 0 0 344.323 2.901 10 5 EFBERN Nc1c(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC001144042868 1279055242 /nfs/dbraw/zinc/05/52/42/1279055242.db2.gz FQAVQYXELCMUGX-MRXNPFEDSA-N 0 0 338.367 2.939 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC001144101604 1279121560 /nfs/dbraw/zinc/12/15/60/1279121560.db2.gz NUEAMZFMTXIMGD-UHFFFAOYSA-N 0 0 339.764 2.812 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnc(-n2cccn2)c1 ZINC001134891487 1287330487 /nfs/dbraw/zinc/33/04/87/1287330487.db2.gz TUXPKKKAPOPFQM-QPJJXVBHSA-N 0 0 335.323 2.827 10 5 EFBERN CCOC(=O)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000792870711 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YWMIIMSMIYGRRZ-KGLIPLIRSA-N 0 0 346.790 2.619 10 5 EFBERN C[C@@]1(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@]1(F)Cl ZINC000844817444 1279274389 /nfs/dbraw/zinc/27/43/89/1279274389.db2.gz XFWSSWSMFPEGKD-KGLIPLIRSA-N 0 0 348.733 2.934 10 5 EFBERN C[C@]1(CCNC(=O)COc2ccccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000844820024 1279275381 /nfs/dbraw/zinc/27/53/81/1279275381.db2.gz CJCUUVYAHBDEQF-KBPBESRZSA-N 0 0 330.743 2.795 10 5 EFBERN C[C@]1(CCNC(=O)COc2cccc([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000844821350 1279275783 /nfs/dbraw/zinc/27/57/83/1279275783.db2.gz PDDIYXNNZAFWBP-UONOGXRCSA-N 0 0 330.743 2.795 10 5 EFBERN C[C@]1(CCNC(=O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000844821348 1279275802 /nfs/dbraw/zinc/27/58/02/1279275802.db2.gz PDDIYXNNZAFWBP-KBPBESRZSA-N 0 0 330.743 2.795 10 5 EFBERN C[C@@]1(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000844822277 1279276717 /nfs/dbraw/zinc/27/67/17/1279276717.db2.gz VAMWCQQDWUOPBN-OLZOCXBDSA-N 0 0 345.714 2.938 10 5 EFBERN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000844838474 1279303662 /nfs/dbraw/zinc/30/36/62/1279303662.db2.gz OADUKLIOJXZQFC-SNVBAGLBSA-N 0 0 331.166 2.652 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000845011677 1279384941 /nfs/dbraw/zinc/38/49/41/1279384941.db2.gz BJVCKLVUKUIIPN-CQSZACIVSA-N 0 0 325.315 2.532 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844991785 1279392357 /nfs/dbraw/zinc/39/23/57/1279392357.db2.gz CMXOBITWNZMUAW-KPXOXKRLSA-N 0 0 328.340 2.799 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000795193128 1287344634 /nfs/dbraw/zinc/34/46/34/1287344634.db2.gz PTKFBUXCESRJDE-KWQFWETISA-N 0 0 331.294 2.732 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cc(OC(C)C)ccn1 ZINC000845087596 1279421788 /nfs/dbraw/zinc/42/17/88/1279421788.db2.gz WLNCCKIOUQUWFP-UHFFFAOYSA-N 0 0 331.328 2.837 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C(C)(Cl)Cl)c1 ZINC000845143956 1279459460 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EFBERN CCOC(=O)N1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000845474155 1279663337 /nfs/dbraw/zinc/66/33/37/1279663337.db2.gz GSADIYOMVGIBBN-UHFFFAOYSA-N 0 0 344.371 2.812 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(C2OCCO2)CC1 ZINC000845486576 1279675585 /nfs/dbraw/zinc/67/55/85/1279675585.db2.gz XJHWCRAABNLNAD-UHFFFAOYSA-N 0 0 329.356 2.732 10 5 EFBERN COC(=O)N1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000845481323 1279694298 /nfs/dbraw/zinc/69/42/98/1279694298.db2.gz ASONOEFMOLQKRD-LLVKDONJSA-N 0 0 330.344 2.786 10 5 EFBERN C[C@@H]1CC[C@@H](OC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000815178547 1287366865 /nfs/dbraw/zinc/36/68/65/1287366865.db2.gz FDEZEIYYHVSMAF-MWLCHTKSSA-N 0 0 340.763 2.710 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])OCc1conc1C(F)(F)F ZINC000805996172 1279714299 /nfs/dbraw/zinc/71/42/99/1279714299.db2.gz BZJRFDHAPYFSEL-UHFFFAOYSA-N 0 0 346.217 2.724 10 5 EFBERN O=C(N[C@@H](c1ccccc1)C1(CO)CC=CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001144492531 1279734833 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0 342.801 2.639 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846021520 1279983436 /nfs/dbraw/zinc/98/34/36/1279983436.db2.gz CAFZOBBYRXCSFC-CYBMUJFWSA-N 0 0 346.355 2.713 10 5 EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846023321 1279984192 /nfs/dbraw/zinc/98/41/92/1279984192.db2.gz NTRJTQOSTXJTGV-ZDUSSCGKSA-N 0 0 346.355 2.546 10 5 EFBERN Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000846026753 1279986402 /nfs/dbraw/zinc/98/64/02/1279986402.db2.gz HCWPAEFPEMIFOE-UHFFFAOYSA-N 0 0 340.742 2.701 10 5 EFBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC12CCCC2 ZINC000846034934 1279992995 /nfs/dbraw/zinc/99/29/95/1279992995.db2.gz JOURIGKITSTILB-UHFFFAOYSA-N 0 0 337.763 2.732 10 5 EFBERN CCOC(=O)[C@@H](C)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000747174435 1280005642 /nfs/dbraw/zinc/00/56/42/1280005642.db2.gz XLUJNTLSHQOXCS-WDEREUQCSA-N 0 0 341.385 2.818 10 5 EFBERN CCOC(=O)[C@H](C)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000747174432 1280006081 /nfs/dbraw/zinc/00/60/81/1280006081.db2.gz XLUJNTLSHQOXCS-MNOVXSKESA-N 0 0 341.385 2.818 10 5 EFBERN O=C(NCc1cnccn1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001134934272 1287392679 /nfs/dbraw/zinc/39/26/79/1287392679.db2.gz LIRWQOOAGUEGAO-UHFFFAOYSA-N 0 0 327.127 2.622 10 5 EFBERN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC12CCCC2 ZINC000846305184 1280109452 /nfs/dbraw/zinc/10/94/52/1280109452.db2.gz ZPVYNVUFBHBXHP-HNNXBMFYSA-N 0 0 329.356 2.633 10 5 EFBERN C/C(=C\C(=O)N1CCC(C2(O)CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000846329226 1280117035 /nfs/dbraw/zinc/11/70/35/1280117035.db2.gz ZHJFXNDNUXMHRI-OUKQBFOZSA-N 0 0 330.384 2.762 10 5 EFBERN Cc1cc(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC001144792552 1280137105 /nfs/dbraw/zinc/13/71/05/1280137105.db2.gz IMQJVRCRMKGQJP-BZNIZROVSA-N 0 0 332.331 2.894 10 5 EFBERN Cc1cc(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)c(N)c([N+](=O)[O-])c1 ZINC000846402316 1280145010 /nfs/dbraw/zinc/14/50/10/1280145010.db2.gz DAMOKVHZIUSVPB-ZIAGYGMSSA-N 0 0 329.759 2.920 10 5 EFBERN COc1c(C(=O)N[C@@H](C)[C@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000846405387 1280154316 /nfs/dbraw/zinc/15/43/16/1280154316.db2.gz OVIYOEBGGNQWMO-SGTLLEGYSA-N 0 0 344.367 2.629 10 5 EFBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@](C)(O)c1ccccc1 ZINC000846419935 1280160742 /nfs/dbraw/zinc/16/07/42/1280160742.db2.gz DSXNLKCOBGBMJU-SCLBCKFNSA-N 0 0 328.368 2.550 10 5 EFBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@](C)(O)c1ccccc1 ZINC000846419938 1280160952 /nfs/dbraw/zinc/16/09/52/1280160952.db2.gz DSXNLKCOBGBMJU-UGSOOPFHSA-N 0 0 328.368 2.550 10 5 EFBERN CNc1ccc(C(=O)N[C@H](C)[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846420579 1280161630 /nfs/dbraw/zinc/16/16/30/1280161630.db2.gz QXOMHMICGSDFQF-KZULUSFZSA-N 0 0 343.383 2.663 10 5 EFBERN CNc1ccc(C(=O)N[C@@H](C)[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000846420581 1280161733 /nfs/dbraw/zinc/16/17/33/1280161733.db2.gz QXOMHMICGSDFQF-SGTLLEGYSA-N 0 0 343.383 2.663 10 5 EFBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC000846425293 1280163426 /nfs/dbraw/zinc/16/34/26/1280163426.db2.gz WCZSMRLLOADOED-FZKQIMNGSA-N 0 0 328.368 2.550 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C(=O)N1CCCC1 ZINC000794403042 1280173720 /nfs/dbraw/zinc/17/37/20/1280173720.db2.gz UTFCXSUSXVXWIP-SEYXRHQNSA-N 0 0 345.399 2.515 10 5 EFBERN COC(=O)[C@H](CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000846457978 1280174844 /nfs/dbraw/zinc/17/48/44/1280174844.db2.gz OHRBPJFRHLUJKJ-LMRWQKIVSA-N 0 0 346.383 2.704 10 5 EFBERN COC(=O)[C@@H](CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000846457980 1280175082 /nfs/dbraw/zinc/17/50/82/1280175082.db2.gz OHRBPJFRHLUJKJ-SAAWKEMMSA-N 0 0 346.383 2.704 10 5 EFBERN C/C(=C\C(=O)N1CCC([C@H](C)CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000846469857 1280184955 /nfs/dbraw/zinc/18/49/55/1280184955.db2.gz CXDSOHRGHZDQHC-YPDDLIOESA-N 0 0 332.400 2.865 10 5 EFBERN C[C@H](NCCC(=O)Nc1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027108 1287404774 /nfs/dbraw/zinc/40/47/74/1287404774.db2.gz HLHCQSDTFCDOTL-NSHDSACASA-N 0 0 332.335 2.808 10 5 EFBERN O=C(NCCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC000804400477 1280200485 /nfs/dbraw/zinc/20/04/85/1280200485.db2.gz HSSNVIKRGDFUFY-UHFFFAOYSA-N 0 0 344.327 2.735 10 5 EFBERN CC[S@@](=O)CCNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804445247 1280224755 /nfs/dbraw/zinc/22/47/55/1280224755.db2.gz RVEGGINJOHSMHV-GOSISDBHSA-N 0 0 335.223 2.846 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804505786 1280247650 /nfs/dbraw/zinc/24/76/50/1280247650.db2.gz KDSZEDZDLLNDBI-VIFPVBQESA-N 0 0 333.348 2.896 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)c1 ZINC001129560482 1280260058 /nfs/dbraw/zinc/26/00/58/1280260058.db2.gz LDUYPDIBIZGHLH-UHFFFAOYSA-N 0 0 345.286 2.740 10 5 EFBERN Cc1ccc(NC[C@]2(O)CCSC2)c([N+](=O)[O-])c1Br ZINC000804530601 1280267341 /nfs/dbraw/zinc/26/73/41/1280267341.db2.gz ITNCVWDYJHGRFW-GFCCVEGCSA-N 0 0 347.234 2.946 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC000846570602 1280268594 /nfs/dbraw/zinc/26/85/94/1280268594.db2.gz NCSIPDDTXBBIFT-AWEZNQCLSA-N 0 0 326.299 2.865 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000804549409 1280272027 /nfs/dbraw/zinc/27/20/27/1280272027.db2.gz CTSQAIVRBORUPZ-ZYHUDNBSSA-N 0 0 349.343 2.602 10 5 EFBERN C[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000804547706 1280272645 /nfs/dbraw/zinc/27/26/45/1280272645.db2.gz ACDARCLNJKKXQA-RISCZKNCSA-N 0 0 331.332 2.787 10 5 EFBERN COCCOC1CN(c2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804539629 1280279309 /nfs/dbraw/zinc/27/93/09/1280279309.db2.gz LLCLAHCFUABNNO-UHFFFAOYSA-N 0 0 345.193 2.517 10 5 EFBERN COc1cccc(C(=O)NCc2nc(C(C)(C)C)co2)c1[N+](=O)[O-] ZINC001134949774 1287411451 /nfs/dbraw/zinc/41/14/51/1287411451.db2.gz XHTWKUVPSCAOEO-UHFFFAOYSA-N 0 0 333.344 2.819 10 5 EFBERN C[C@@H](C[C@H](O)c1cccs1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000804566532 1280287273 /nfs/dbraw/zinc/28/72/73/1280287273.db2.gz UBAMRLPKOLRRHB-ZANVPECISA-N 0 0 337.401 2.655 10 5 EFBERN O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001129639304 1280292322 /nfs/dbraw/zinc/29/23/22/1280292322.db2.gz YGYJNADUJBZZJU-UHFFFAOYSA-N 0 0 348.746 2.875 10 5 EFBERN Cc1ccc(NCC2(C)OCCO2)c([N+](=O)[O-])c1Br ZINC000804588608 1280294943 /nfs/dbraw/zinc/29/49/43/1280294943.db2.gz KVPSXYIDUXGUNW-UHFFFAOYSA-N 0 0 331.166 2.841 10 5 EFBERN CC[C@@H]1CN(c2ccc(C)c(Br)c2[N+](=O)[O-])C[C@H]1O ZINC000804579659 1280301620 /nfs/dbraw/zinc/30/16/20/1280301620.db2.gz XVQFQXFUBRUKEC-MWLCHTKSSA-N 0 0 329.194 2.873 10 5 EFBERN C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052502 1287413300 /nfs/dbraw/zinc/41/33/00/1287413300.db2.gz SNUBTJLOIBBWMU-RVSPLBMKSA-N 0 0 348.374 2.869 10 5 EFBERN CN(C[C@@H]1CC=CCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804611634 1280314197 /nfs/dbraw/zinc/31/41/97/1280314197.db2.gz ZCSARQICZDCWHI-GFCCVEGCSA-N 0 0 330.388 2.578 10 5 EFBERN Cc1ccnc(C2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)n1 ZINC000804612479 1280314474 /nfs/dbraw/zinc/31/44/74/1280314474.db2.gz BOAFMSQIHAJTTB-UHFFFAOYSA-N 0 0 343.343 2.985 10 5 EFBERN C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC000846623186 1280329707 /nfs/dbraw/zinc/32/97/07/1280329707.db2.gz YYBVJSKQCJWMTE-JIMPKYJGSA-N 0 0 332.400 2.959 10 5 EFBERN COc1ccc(C(=O)N[C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC001129852838 1280354847 /nfs/dbraw/zinc/35/48/47/1280354847.db2.gz ANBCXRRPKJCSNE-CQSZACIVSA-N 0 0 328.324 2.605 10 5 EFBERN CCn1nc2c(cc1=O)CN(c1cc(C)c([N+](=O)[O-])cc1Cl)CC2 ZINC000747224725 1280410629 /nfs/dbraw/zinc/41/06/29/1280410629.db2.gz YNTDWZVWZVHBCS-UHFFFAOYSA-N 0 0 348.790 2.696 10 5 EFBERN COc1ccc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])c(OC)n1 ZINC000872074136 1287420044 /nfs/dbraw/zinc/42/00/44/1287420044.db2.gz XKLGVRXHKUCDRI-SNVBAGLBSA-N 0 0 335.335 2.997 10 5 EFBERN O=[N+]([O-])c1cccc(OS(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000804932214 1280412277 /nfs/dbraw/zinc/41/22/77/1280412277.db2.gz BDSSPUGCTWENAM-UHFFFAOYSA-N 0 0 348.258 2.776 10 5 EFBERN CCN(C)C(=O)[C@@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872075314 1287420426 /nfs/dbraw/zinc/42/04/26/1287420426.db2.gz PQRFARZOWIYYHP-ABAIWWIYSA-N 0 0 325.384 2.887 10 5 EFBERN C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872074266 1287420445 /nfs/dbraw/zinc/42/04/45/1287420445.db2.gz ZTCAJOLVGNYGKP-MNRXQERYSA-N 0 0 332.331 2.879 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCc2ccccc2N1 ZINC000846693495 1280420331 /nfs/dbraw/zinc/42/03/31/1280420331.db2.gz HXNJNLVWXMIALE-ZDUSSCGKSA-N 0 0 340.383 2.724 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1COCc2ccccc21 ZINC001130043359 1280425584 /nfs/dbraw/zinc/42/55/84/1280425584.db2.gz OLXAYWNCQUIBBG-HNNXBMFYSA-N 0 0 346.314 2.500 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cn1 ZINC001130105883 1280469157 /nfs/dbraw/zinc/46/91/57/1280469157.db2.gz DLBRACDNPSFBCX-UHFFFAOYSA-N 0 0 328.328 2.533 10 5 EFBERN Cc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)cc([N+](=O)[O-])c1 ZINC001134962918 1287424329 /nfs/dbraw/zinc/42/43/29/1287424329.db2.gz NHBGXPFIDMVUJG-UHFFFAOYSA-N 0 0 327.340 2.857 10 5 EFBERN O=C(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)NCc1ccccc1 ZINC000825583100 1287425958 /nfs/dbraw/zinc/42/59/58/1287425958.db2.gz KZLMBIMKQQXDNW-UHFFFAOYSA-N 0 0 340.383 2.597 10 5 EFBERN C[C@@H](NC[C@@H](n1cncn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091824 1287426642 /nfs/dbraw/zinc/42/66/42/1287426642.db2.gz KJJVUCSFTYFUEG-LDYMZIIASA-N 0 0 347.272 2.780 10 5 EFBERN O=[N+]([O-])c1cc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000794501353 1280502851 /nfs/dbraw/zinc/50/28/51/1280502851.db2.gz FLRAPWHBUJHSFV-UHFFFAOYSA-N 0 0 328.327 2.538 10 5 EFBERN Cn1ccnc1[C@H](NC[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000872106475 1287430193 /nfs/dbraw/zinc/43/01/93/1287430193.db2.gz QVAWLKNQLIMUKR-HZPDHXFCSA-N 0 0 344.415 2.822 10 5 EFBERN CCN1C[C@H](CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)OC1=O ZINC000846819017 1280551263 /nfs/dbraw/zinc/55/12/63/1280551263.db2.gz ZAVVTUMHEWWMBT-LBPRGKRZSA-N 0 0 327.768 2.521 10 5 EFBERN COCC1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001144959315 1280559733 /nfs/dbraw/zinc/55/97/33/1280559733.db2.gz ZCGSQBCWWHDWNN-UHFFFAOYSA-N 0 0 326.780 2.676 10 5 EFBERN COc1cnc(F)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000846939135 1280627897 /nfs/dbraw/zinc/62/78/97/1280627897.db2.gz OQTMJZQBNDYRRK-UHFFFAOYSA-N 0 0 345.330 2.942 10 5 EFBERN COC(=O)c1c(C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)nc1C ZINC001134984598 1287436088 /nfs/dbraw/zinc/43/60/88/1287436088.db2.gz GPUPOESIODODBX-UHFFFAOYSA-N 0 0 343.339 2.954 10 5 EFBERN COc1cnc(F)c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000847055812 1280726363 /nfs/dbraw/zinc/72/63/63/1280726363.db2.gz DPFWZBSHCMXTRC-UHFFFAOYSA-N 0 0 333.319 2.803 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)OC ZINC001130359598 1280731219 /nfs/dbraw/zinc/73/12/19/1280731219.db2.gz NGYJNCIBLRDSIJ-RNCFNFMXSA-N 0 0 342.779 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O=C(C[C@H](O)Cc1ccccc1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000811405036 1284291009 /nfs/dbraw/zinc/29/10/09/1284291009.db2.gz RZGHAMXIADEMHI-MRXNPFEDSA-N 0 0 345.351 2.511 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1SCCS1 ZINC000811567382 1284395816 /nfs/dbraw/zinc/39/58/16/1284395816.db2.gz VHTPRIDKUGWKDG-UHFFFAOYSA-N 0 0 337.426 2.541 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC001132872268 1284406321 /nfs/dbraw/zinc/40/63/21/1284406321.db2.gz IVZWGDNYSCZQRS-GHMZBOCLSA-N 0 0 329.278 2.925 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)CCc1cccc(N(C)C)c1 ZINC001132963058 1284513800 /nfs/dbraw/zinc/51/38/00/1284513800.db2.gz QJMNJAKTHOKFRR-UHFFFAOYSA-N 0 0 344.371 2.636 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C1=Cc2cc(C)ccc2OC1 ZINC001132963072 1284514321 /nfs/dbraw/zinc/51/43/21/1284514321.db2.gz RGANQQWQIGROQT-UHFFFAOYSA-N 0 0 341.323 2.721 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])Cc1ncc(Br)cn1 ZINC001176167564 1287725417 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/nfs/dbraw/zinc/38/75/70/1285387570.db2.gz YJCHKWYXXICZFL-GFCCVEGCSA-N 0 0 341.367 2.788 10 5 EFBERN C[C@@H](NC(=O)c1c2c(ccc1F)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC001133424159 1285395175 /nfs/dbraw/zinc/39/51/75/1285395175.db2.gz HUFCBMJSXRJCDD-SECBINFHSA-N 0 0 332.287 2.954 10 5 EFBERN COc1cccc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1[N+](=O)[O-] ZINC001133479862 1285477700 /nfs/dbraw/zinc/47/77/00/1285477700.db2.gz JZFZRDZKDVQFOJ-WFASDCNBSA-N 0 0 346.314 2.805 10 5 EFBERN C[C@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC001133478965 1285478063 /nfs/dbraw/zinc/47/80/63/1285478063.db2.gz CMXGAGCNIDKLJY-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN CC(C)c1[nH]ccc1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001171461477 1285558053 /nfs/dbraw/zinc/55/80/53/1285558053.db2.gz KDALBOOXGCDDTK-QGZVFWFLSA-N 0 0 331.372 2.684 10 5 EFBERN O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000747833250 1285584805 /nfs/dbraw/zinc/58/48/05/1285584805.db2.gz VEOCGIKXNUINLZ-KGLIPLIRSA-N 0 0 330.388 2.651 10 5 EFBERN CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000813097863 1285648076 /nfs/dbraw/zinc/64/80/76/1285648076.db2.gz LSZTUBQUKZFSAR-GFCCVEGCSA-N 0 0 327.768 2.569 10 5 EFBERN C[C@H](COC(=O)c1cccnc1OCc1ccccc1F)[N+](=O)[O-] ZINC000813101635 1285652234 /nfs/dbraw/zinc/65/22/34/1285652234.db2.gz FZMWTEZUOWBHLY-LLVKDONJSA-N 0 0 334.303 2.622 10 5 EFBERN C[C@H](COC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813101907 1285652359 /nfs/dbraw/zinc/65/23/59/1285652359.db2.gz LFMNCEAHHNWJQY-HUUCEWRRSA-N 0 0 334.416 2.538 10 5 EFBERN CCCCc1ccc(N2C[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])CC2=O)cc1 ZINC000813102541 1285654274 /nfs/dbraw/zinc/65/42/74/1285654274.db2.gz RMEXHONTSJOGRE-UKRRQHHQSA-N 0 0 348.399 2.591 10 5 EFBERN COC[C@H](C)[C@H](C)C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000813077333 1285658088 /nfs/dbraw/zinc/65/80/88/1285658088.db2.gz VHTPBYHLNRYVLF-FQUUOJAGSA-N 0 0 339.392 2.737 10 5 EFBERN COC[C@@H](C)[C@@H](C)C(=O)OCCOc1ccc([N+](=O)[O-])cc1C ZINC000813083196 1285662962 /nfs/dbraw/zinc/66/29/62/1285662962.db2.gz KIVGAJYFPSJWKV-CHWSQXEVSA-N 0 0 325.361 2.744 10 5 EFBERN CC(=O)c1cc(COC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000813137706 1285670707 /nfs/dbraw/zinc/67/07/07/1285670707.db2.gz QLLOSJQGIXLRMM-JXMROGBWSA-N 0 0 330.296 2.932 10 5 EFBERN O=C(NCc1cc(Br)c2ccccc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001133621168 1285673314 /nfs/dbraw/zinc/67/33/14/1285673314.db2.gz RVVYDZGBDINQES-TZMCWYRMSA-N 0 0 349.184 2.884 10 5 EFBERN C[C@@H](COC(=O)CSCc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813106144 1285678350 /nfs/dbraw/zinc/67/83/50/1285678350.db2.gz ZILTXYPAVRKLGK-VIFPVBQESA-N 0 0 348.218 2.891 10 5 EFBERN COc1ccc(CCC(=O)OC[C@H](C)[N+](=O)[O-])cc1Br ZINC000813110434 1285683202 /nfs/dbraw/zinc/68/32/02/1285683202.db2.gz ANIMUHHJWSOXPQ-VIFPVBQESA-N 0 0 346.177 2.599 10 5 EFBERN Cc1ccc(/C=C/C(=O)OC[C@H](C)[N+](=O)[O-])c(Br)c1 ZINC000813113648 1285684062 /nfs/dbraw/zinc/68/40/62/1285684062.db2.gz SBOVTCGPUVLWKS-PORFMDCZSA-N 0 0 328.162 2.979 10 5 EFBERN C[C@@H](COC(=O)Cc1csc(Cc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813113408 1285684231 /nfs/dbraw/zinc/68/42/31/1285684231.db2.gz DGOLUHCMJQWSRG-JTQLQIEISA-N 0 0 338.360 2.624 10 5 EFBERN C[C@@H](COC(=O)CCSc1nc2ccccc2s1)[N+](=O)[O-] ZINC000813115564 1285685095 /nfs/dbraw/zinc/68/50/95/1285685095.db2.gz VKKKAIUQHXVBMN-VIFPVBQESA-N 0 0 326.399 2.987 10 5 EFBERN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813114782 1285685279 /nfs/dbraw/zinc/68/52/79/1285685279.db2.gz WNKRJCSDQXFQBP-BDAKNGLRSA-N 0 0 348.168 2.975 10 5 EFBERN O=C(CC1CCOCC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171360 1285703327 /nfs/dbraw/zinc/70/33/27/1285703327.db2.gz ISTHWLRWKVQJHB-KRWDZBQOSA-N 0 0 348.399 2.529 10 5 EFBERN CC(C)(C)OCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173330 1285705773 /nfs/dbraw/zinc/70/57/73/1285705773.db2.gz ZHFWZYWMIROSKW-HNNXBMFYSA-N 0 0 336.388 2.527 10 5 EFBERN C[C@@H](OCC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1nccn1C ZINC000813241683 1285756087 /nfs/dbraw/zinc/75/60/87/1285756087.db2.gz ACUROHOFPMKQSU-SECBINFHSA-N 0 0 338.751 2.698 10 5 EFBERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000813244350 1285759036 /nfs/dbraw/zinc/75/90/36/1285759036.db2.gz YCMNMOYOKSKAAO-LBPRGKRZSA-N 0 0 339.779 2.834 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001133685759 1285779234 /nfs/dbraw/zinc/77/92/34/1285779234.db2.gz CHRLGKQHGNQHII-XFXZXTDPSA-N 0 0 339.351 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c3c(nn2C)CCCC3)c1F ZINC000813313042 1285807820 /nfs/dbraw/zinc/80/78/20/1285807820.db2.gz MMFZCLVPBAQCME-UHFFFAOYSA-N 0 0 346.362 2.585 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001171891485 1285882018 /nfs/dbraw/zinc/88/20/18/1285882018.db2.gz UNPFZRKLFZHMLJ-UHFFFAOYSA-N 0 0 344.327 2.783 10 5 EFBERN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1C(N)=O ZINC001136600615 1289039680 /nfs/dbraw/zinc/03/96/80/1289039680.db2.gz ZLKJYQMOAJOLET-UHFFFAOYSA-N 0 0 333.731 2.908 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001171938482 1285935512 /nfs/dbraw/zinc/93/55/12/1285935512.db2.gz GOCJIJIFGVBQQO-KRWDZBQOSA-N 0 0 344.346 2.673 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)c1 ZINC001133817132 1285993108 /nfs/dbraw/zinc/99/31/08/1285993108.db2.gz BWQQPNIXWADCTJ-UHFFFAOYSA-N 0 0 347.277 2.780 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](O)c1cccc(F)c1 ZINC000813590131 1286004666 /nfs/dbraw/zinc/00/46/66/1286004666.db2.gz ZOQVGLZZWSIEIW-MRXNPFEDSA-N 0 0 327.315 2.850 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC001133824435 1286009529 /nfs/dbraw/zinc/00/95/29/1286009529.db2.gz NECJSKRHVNGLIG-FLIBITNWSA-N 0 0 339.351 2.631 10 5 EFBERN COC(=O)c1c(F)ccc(F)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001133824194 1286009544 /nfs/dbraw/zinc/00/95/44/1286009544.db2.gz BHVSTMBROCJJBE-UHFFFAOYSA-N 0 0 336.250 2.912 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000813627996 1286014704 /nfs/dbraw/zinc/01/47/04/1286014704.db2.gz OEJKUTMOHKKTEE-OLZOCXBDSA-N 0 0 348.403 2.826 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1COC2(CCCC2)O1 ZINC000813599663 1286016955 /nfs/dbraw/zinc/01/69/55/1286016955.db2.gz WEFDEVJELKKNOY-LBPRGKRZSA-N 0 0 329.356 2.663 10 5 EFBERN C[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000813605358 1286020123 /nfs/dbraw/zinc/02/01/23/1286020123.db2.gz KQZPACBFHGTONS-LLVKDONJSA-N 0 0 346.387 2.890 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC2(C1)CCOCC2 ZINC000813678138 1286061789 /nfs/dbraw/zinc/06/17/89/1286061789.db2.gz PAYRABJGKYCNBR-UHFFFAOYSA-N 0 0 339.779 2.570 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1Cl ZINC001133906951 1286089689 /nfs/dbraw/zinc/08/96/89/1286089689.db2.gz IKETVWLCPYQZCU-UHFFFAOYSA-N 0 0 349.656 2.946 10 5 EFBERN CCC/C=C/COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000813910737 1286182420 /nfs/dbraw/zinc/18/24/20/1286182420.db2.gz FGCPDXWIUKXMIB-SNAWJCMRSA-N 0 0 334.372 2.945 10 5 EFBERN COc1ccc(CC(=O)N=[S@@](C)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001133996744 1286216022 /nfs/dbraw/zinc/21/60/22/1286216022.db2.gz WIGSMLSQLAPESS-DEOSSOPVSA-N 0 0 348.380 2.829 10 5 EFBERN Cc1cc(C(=O)OCCSCC(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000814013539 1286237228 /nfs/dbraw/zinc/23/72/28/1286237228.db2.gz WGXNFJQVPKSLAS-UHFFFAOYSA-N 0 0 341.385 2.745 10 5 EFBERN Cc1ccc(C(=O)OCCSCC(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000814013321 1286237506 /nfs/dbraw/zinc/23/75/06/1286237506.db2.gz SQWOMEZEVIFFMA-UHFFFAOYSA-N 0 0 341.385 2.745 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000814035972 1286253572 /nfs/dbraw/zinc/25/35/72/1286253572.db2.gz DBAQSVZQYXRILJ-INIZCTEOSA-N 0 0 342.395 2.897 10 5 EFBERN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-])O[C@@H](C)C2 ZINC000814037428 1286269412 /nfs/dbraw/zinc/26/94/12/1286269412.db2.gz ADXJQQQTQWMPGC-UHXUCMFUSA-N 0 0 349.383 2.721 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1OCCOc1ccccc1 ZINC000814038119 1286270741 /nfs/dbraw/zinc/27/07/41/1286270741.db2.gz MJZZZIXFVDTVEJ-AWEZNQCLSA-N 0 0 345.351 2.966 10 5 EFBERN CCCCc1ccc(N2C[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])CC2=O)cc1 ZINC000814040955 1286271951 /nfs/dbraw/zinc/27/19/51/1286271951.db2.gz NHAAFHYCHFZCLP-UKRRQHHQSA-N 0 0 348.399 2.591 10 5 EFBERN CCCCc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])CC2=O)cc1 ZINC000814040958 1286271961 /nfs/dbraw/zinc/27/19/61/1286271961.db2.gz NHAAFHYCHFZCLP-ZFWWWQNUSA-N 0 0 348.399 2.591 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)CCc1cc(F)ccc1Br ZINC000814041639 1286273114 /nfs/dbraw/zinc/27/31/14/1286273114.db2.gz RHCMLOQZEDNABV-QMMMGPOBSA-N 0 0 334.141 2.729 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)CCCOc1ccccc1Br ZINC000814041608 1286273188 /nfs/dbraw/zinc/27/31/88/1286273188.db2.gz CDQLNVVAYDYXIM-JTQLQIEISA-N 0 0 346.177 2.817 10 5 EFBERN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])CC1=O ZINC000814042363 1286273208 /nfs/dbraw/zinc/27/32/08/1286273208.db2.gz IUYZEXONHDDCEI-MELADBBJSA-N 0 0 348.399 2.761 10 5 EFBERN CCCc1c(C(=O)O[C@H](C)C[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000814042083 1286273273 /nfs/dbraw/zinc/27/32/73/1286273273.db2.gz YLVZCTQKDOCCHB-CYBMUJFWSA-N 0 0 331.372 2.706 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)CN(Cc1ccccc1)c1ccccc1 ZINC000814047032 1286275516 /nfs/dbraw/zinc/27/55/16/1286275516.db2.gz KGSWBECDVZJGJV-HNNXBMFYSA-N 0 0 328.368 2.902 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)CCCc1ccccc1Br ZINC000814048811 1286276336 /nfs/dbraw/zinc/27/63/36/1286276336.db2.gz WXAVWGCZSIPEEZ-JTQLQIEISA-N 0 0 330.178 2.980 10 5 EFBERN CCc1nc(C)c(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000814071596 1286288487 /nfs/dbraw/zinc/28/84/87/1286288487.db2.gz KYWMQSWOWAMEAB-UHFFFAOYSA-N 0 0 334.284 2.539 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001134089465 1286327664 /nfs/dbraw/zinc/32/76/64/1286327664.db2.gz LPLZDCRUJKRISH-UHFFFAOYSA-N 0 0 341.295 2.546 10 5 EFBERN CC(=O)c1ccc(OC(=O)CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC001134170604 1286405906 /nfs/dbraw/zinc/40/59/06/1286405906.db2.gz OSMMVARKXYVSJC-UHFFFAOYSA-N 0 0 337.719 2.643 10 5 EFBERN O=Cc1ccc(Oc2ncnc3c2ncn3C2CC2)c([N+](=O)[O-])c1 ZINC000814255019 1286463739 /nfs/dbraw/zinc/46/37/39/1286463739.db2.gz SNOHRFRGCGLCNH-UHFFFAOYSA-N 0 0 325.284 2.674 10 5 EFBERN COC(=O)c1cccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001134273998 1286518494 /nfs/dbraw/zinc/51/84/94/1286518494.db2.gz HEOARSQNJZWBJP-GFCCVEGCSA-N 0 0 342.351 2.915 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@]23C[C@H]2COC32CCC2)c1 ZINC001134296693 1286526870 /nfs/dbraw/zinc/52/68/70/1286526870.db2.gz LLQPYMDRXVTEDI-MGPLVRAMSA-N 0 0 334.397 2.758 10 5 EFBERN Cn1nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F ZINC001134374615 1286610252 /nfs/dbraw/zinc/61/02/52/1286610252.db2.gz KYBOMDDZFAQKGW-QPJJXVBHSA-N 0 0 340.261 2.999 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C ZINC001134447327 1286727262 /nfs/dbraw/zinc/72/72/62/1286727262.db2.gz UCCRTXZBBVWNIV-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN COC(=O)c1ccc(OC)c(F)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001134432316 1286735442 /nfs/dbraw/zinc/73/54/42/1286735442.db2.gz OBCUOKYWURFCFT-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001134437808 1286740693 /nfs/dbraw/zinc/74/06/93/1286740693.db2.gz LPSQUYUNJXAKNF-UHFFFAOYSA-N 0 0 341.371 2.936 10 5 EFBERN C[C@H](CNC(=O)CN1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001134495179 1286815119 /nfs/dbraw/zinc/81/51/19/1286815119.db2.gz GHKQBYCPXGTLDQ-CQSZACIVSA-N 0 0 339.395 2.877 10 5 EFBERN O=C(NCc1ccc2nonc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001134658545 1287000319 /nfs/dbraw/zinc/00/03/19/1287000319.db2.gz INMBGSJWNCKFAH-UHFFFAOYSA-N 0 0 332.703 2.714 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000871417527 1287047405 /nfs/dbraw/zinc/04/74/05/1287047405.db2.gz DCDHCPWTLBZYDH-CYBMUJFWSA-N 0 0 344.396 2.676 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@](C)(C(F)(F)F)C2)c1 ZINC000871441304 1287072812 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EFBERN Nc1c(C(=O)Nc2cc(F)c(O)cc2Cl)cccc1[N+](=O)[O-] ZINC001179659508 1289209368 /nfs/dbraw/zinc/20/93/68/1289209368.db2.gz AEEMKXYLYTTWCT-UHFFFAOYSA-N 0 0 325.683 2.927 10 5 EFBERN C[C@@]12COC[C@@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C2 ZINC000823254542 1289250070 /nfs/dbraw/zinc/25/00/70/1289250070.db2.gz XYCNWXYEFRDTTC-LKFCYVNXSA-N 0 0 325.752 2.748 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2COC[C@H]2C1 ZINC000823252359 1289250272 /nfs/dbraw/zinc/25/02/72/1289250272.db2.gz AYJFXVZKLGFTSQ-VHSXEESVSA-N 0 0 325.752 2.748 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2COC[C@@H]2C1 ZINC000823252358 1289250510 /nfs/dbraw/zinc/25/05/10/1289250510.db2.gz AYJFXVZKLGFTSQ-UWVGGRQHSA-N 0 0 325.752 2.748 10 5 EFBERN Cc1ccc(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)c(N)c1[N+](=O)[O-] ZINC001179879383 1289303166 /nfs/dbraw/zinc/30/31/66/1289303166.db2.gz LQGSZCMABPPYQE-SECBINFHSA-N 0 0 329.360 2.517 10 5 EFBERN O=[N+]([O-])c1ccc([C@H](O)CN2c3ccccc3CC[C@H]2CCO)cc1 ZINC000823448704 1289303491 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EFBERN CC(C)c1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC001181643173 1289873805 /nfs/dbraw/zinc/87/38/05/1289873805.db2.gz PRRKSOHEXNYBQJ-UHFFFAOYSA-N 0 0 340.383 2.894 10 5 EFBERN CCOC1(COC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CCOCC1 ZINC000873547378 1289912132 /nfs/dbraw/zinc/91/21/32/1289912132.db2.gz APJCOBJYCFHZSM-UHFFFAOYSA-N 0 0 337.372 2.954 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000124572273 1289931620 /nfs/dbraw/zinc/93/16/20/1289931620.db2.gz CPIWRUFMPXNDCY-RISCZKNCSA-N 0 0 348.355 2.829 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000873569991 1289933646 /nfs/dbraw/zinc/93/36/46/1289933646.db2.gz IVNLBUFJUUEBQP-STQMWFEESA-N 0 0 339.392 2.627 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001181876443 1289987482 /nfs/dbraw/zinc/98/74/82/1289987482.db2.gz FKMCNOOJYWAUGR-VIFPVBQESA-N 0 0 330.768 2.766 10 5 EFBERN COC(=O)N1CCC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000825693009 1290041430 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O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCc2n[nH]cc2C1 ZINC001183837088 1290394953 /nfs/dbraw/zinc/39/49/53/1290394953.db2.gz UHFYDNRXJDCYRJ-SNVBAGLBSA-N 0 0 337.339 2.610 10 5 EFBERN COC(=O)[C@]12CCC[C@H]1N(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000874932534 1290423002 /nfs/dbraw/zinc/42/30/02/1290423002.db2.gz WILFXNYVJXJWRD-PNPHSEOMSA-N 0 0 346.383 2.643 10 5 EFBERN CC(C)(C)[S@@](=O)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000825760703 1290451480 /nfs/dbraw/zinc/45/14/80/1290451480.db2.gz BDPLRHPKNQNCII-QFIPXVFZSA-N 0 0 325.434 2.828 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000875077551 1290464289 /nfs/dbraw/zinc/46/42/89/1290464289.db2.gz CSCMFJDCJDRTGC-ZIAGYGMSSA-N 0 0 346.383 2.852 10 5 EFBERN Cc1nccc(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 ZINC000795591999 1290633458 /nfs/dbraw/zinc/63/34/58/1290633458.db2.gz VCFIAGXBHXFWQI-UHFFFAOYSA-N 0 0 325.683 2.843 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OC[C@@H]1CCC[C@@H](O)C1 ZINC000795603841 1290645597 /nfs/dbraw/zinc/64/55/97/1290645597.db2.gz HFFKWAIDBRZZJO-MWLCHTKSSA-N 0 0 329.299 2.510 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OC[C@@H]1CCC[C@H](O)C1 ZINC000795603840 1290645716 /nfs/dbraw/zinc/64/57/16/1290645716.db2.gz HFFKWAIDBRZZJO-KOLCDFICSA-N 0 0 329.299 2.510 10 5 EFBERN CCc1[nH]nc(C(=O)OCc2cc(F)cc3cccnc32)c1[N+](=O)[O-] ZINC000795610696 1290651829 /nfs/dbraw/zinc/65/18/29/1290651829.db2.gz BYPHEOPGIDELKN-UHFFFAOYSA-N 0 0 344.302 2.925 10 5 EFBERN COc1cc(Nc2ccc(OCCO)cc2)c([N+](=O)[O-])cc1OC ZINC001185378191 1290659536 /nfs/dbraw/zinc/65/95/36/1290659536.db2.gz SFCALMZBOGZTHS-UHFFFAOYSA-N 0 0 334.328 2.727 10 5 EFBERN CCc1[nH]nc(C(=O)OCC(=O)C(C)(C)c2ccccc2)c1[N+](=O)[O-] ZINC000795615501 1290664040 /nfs/dbraw/zinc/66/40/40/1290664040.db2.gz IIWIYVSKPSAEGM-UHFFFAOYSA-N 0 0 345.355 2.584 10 5 EFBERN COc1cc(NC[C@@](C)(O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC001185451042 1290684646 /nfs/dbraw/zinc/68/46/46/1290684646.db2.gz NVSRTHBYQQMKBF-OAHLLOKOSA-N 0 0 338.385 2.993 10 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O=C(COc1ccsn1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001137114083 1291088620 /nfs/dbraw/zinc/08/86/20/1291088620.db2.gz FNINAAUKUMENFX-UHFFFAOYSA-N 0 0 335.385 2.569 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccccc2O)s1 ZINC001187256391 1291142980 /nfs/dbraw/zinc/14/29/80/1291142980.db2.gz LRPZWWUEBOIIRQ-UHFFFAOYSA-N 0 0 331.396 2.917 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2CCC23CCOCC3)c1[N+](=O)[O-] ZINC001187351760 1291158405 /nfs/dbraw/zinc/15/84/05/1291158405.db2.gz JILJXYHHUSWCHT-LBPRGKRZSA-N 0 0 349.387 2.704 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795693441 1291205521 /nfs/dbraw/zinc/20/55/21/1291205521.db2.gz QILIAFUIYHTDKL-RNCFNFMXSA-N 0 0 344.293 2.554 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000126483048 1291216569 /nfs/dbraw/zinc/21/65/69/1291216569.db2.gz GTQZQIOWZPFZGC-NHYWBVRUSA-N 0 0 346.362 2.962 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@@H](c3ncccn3)C2)c(C(F)(F)F)c1 ZINC001187717918 1291219332 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Cc1nn(CC(=O)Nc2c(F)cccc2F)c2ncc([N+](=O)[O-])cc12 ZINC001188854002 1291497204 /nfs/dbraw/zinc/49/72/04/1291497204.db2.gz NXJOYMZLZCSJSN-UHFFFAOYSA-N 0 0 347.281 2.565 10 5 EFBERN Cc1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1F ZINC001188996771 1291541470 /nfs/dbraw/zinc/54/14/70/1291541470.db2.gz XNSZRIRQQDJBTA-UHFFFAOYSA-N 0 0 329.287 2.907 10 5 EFBERN CC[C@@H]1CCC[C@@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000878200971 1291552698 /nfs/dbraw/zinc/55/26/98/1291552698.db2.gz WDLOCAVBKYUICI-RDTXWAMCSA-N 0 0 346.431 2.855 10 5 EFBERN O=C(N[C@H]1CCn2ccnc21)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001273573541 1291561170 /nfs/dbraw/zinc/56/11/70/1291561170.db2.gz POXUVEFHEJZZLJ-JTQLQIEISA-N 0 0 341.154 2.973 10 5 EFBERN CC(=O)Nc1nc(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)cs1 ZINC001189627538 1291790276 /nfs/dbraw/zinc/79/02/76/1291790276.db2.gz YPOKSIBIGAEABO-UHFFFAOYSA-N 0 0 343.368 2.922 10 5 EFBERN CCN1CCOC[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803614876 1312884840 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C[C@@H](Sc1nc(CO)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001190185924 1292020641 /nfs/dbraw/zinc/02/06/41/1292020641.db2.gz PJHKINHECPVPRG-MRVPVSSYSA-N 0 0 339.398 2.663 10 5 EFBERN O=C(N[C@@H]1CCCC[C@H]1F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880287558 1292436848 /nfs/dbraw/zinc/43/68/48/1292436848.db2.gz JSUCEQORDGHHEE-VXGBXAGGSA-N 0 0 338.335 2.767 10 5 EFBERN CN(Cc1nccn1Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001191289844 1292511653 /nfs/dbraw/zinc/51/16/53/1292511653.db2.gz VTAOLRZEPOAMQT-UHFFFAOYSA-N 0 0 337.383 2.867 10 5 EFBERN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000881687965 1292972452 /nfs/dbraw/zinc/97/24/52/1292972452.db2.gz VZMDWTPMYOQVPY-LBPRGKRZSA-N 0 0 336.241 2.527 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000882039590 1293084135 /nfs/dbraw/zinc/08/41/35/1293084135.db2.gz CVPTZXLHVHNARA-PELKAZGASA-N 0 0 332.278 2.953 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(O[C@H]2CCOC2)CC1 ZINC000882054548 1293085557 /nfs/dbraw/zinc/08/55/57/1293085557.db2.gz XWKBVRPMIMXEKQ-AWEZNQCLSA-N 0 0 334.372 2.572 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2ncc(C)s2)CC1 ZINC000882058266 1293086920 /nfs/dbraw/zinc/08/69/20/1293086920.db2.gz MVSAUIZVOYLPQQ-UHFFFAOYSA-N 0 0 346.412 2.889 10 5 EFBERN Cn1c2cc(CN3CCc4c3cccc4[N+](=O)[O-])ccc2oc1=O ZINC001192964969 1293124106 /nfs/dbraw/zinc/12/41/06/1293124106.db2.gz NCEFTWWFVJBQSX-UHFFFAOYSA-N 0 0 325.324 2.602 10 5 EFBERN Cn1ncc(Br)c1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001193129900 1293180015 /nfs/dbraw/zinc/18/00/15/1293180015.db2.gz MEWFVMQEMMOYIU-UHFFFAOYSA-N 0 0 337.177 2.654 10 5 EFBERN CC(=O)c1c(N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cccc1[N+](=O)[O-] ZINC000882380304 1293183117 /nfs/dbraw/zinc/18/31/17/1293183117.db2.gz RQGGNCIIVHLQSN-RRFJBIMHSA-N 0 0 345.399 2.856 10 5 EFBERN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000882681313 1293284285 /nfs/dbraw/zinc/28/42/85/1293284285.db2.gz OORWQHPNGGOTGU-LQDVMPOASA-N 0 0 340.383 2.879 10 5 EFBERN COC(=O)[C@@H]1[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1(F)F ZINC000882876167 1293362400 /nfs/dbraw/zinc/36/24/00/1293362400.db2.gz LOZGZWXWOOVDDR-CABZTGNLSA-N 0 0 337.282 2.609 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[C@]12CCCO2 ZINC000882981243 1293414930 /nfs/dbraw/zinc/41/49/30/1293414930.db2.gz GAPUCCHPKMEOMM-PELKAZGASA-N 0 0 334.298 2.861 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)CC1 ZINC000132386463 1293656851 /nfs/dbraw/zinc/65/68/51/1293656851.db2.gz BMUFEAJRYUXEDP-SNVBAGLBSA-N 0 0 330.381 2.853 10 5 EFBERN COC(=O)/C(C)=C/COc1c(Br)cccc1[N+](=O)[O-] ZINC000133496349 1293887050 /nfs/dbraw/zinc/88/70/50/1293887050.db2.gz RGCBDUIVRRWDHH-SOFGYWHQSA-N 0 0 330.134 2.855 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCCCc2nnc3n2CCCC3)c1 ZINC000775682009 1294105671 /nfs/dbraw/zinc/10/56/71/1294105671.db2.gz FWXAIVSBZUOQBJ-UHFFFAOYSA-N 0 0 349.366 2.715 10 5 EFBERN Cc1cc(C)c(CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001626139576 1294112146 /nfs/dbraw/zinc/11/21/46/1294112146.db2.gz SJJNCQOCYCCZKJ-GFCCVEGCSA-N 0 0 329.356 2.732 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@](CO)(C(F)(F)F)C1 ZINC000884728381 1294234140 /nfs/dbraw/zinc/23/41/40/1294234140.db2.gz POESKZFUZICZBE-ZDUSSCGKSA-N 0 0 332.278 2.549 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000885200184 1294356877 /nfs/dbraw/zinc/35/68/77/1294356877.db2.gz LRDAYBHFOOETHI-ORGNMEJNSA-N 0 0 346.383 2.797 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccn(C3CC3)c1=O)CC2 ZINC000867210016 1294401370 /nfs/dbraw/zinc/40/13/70/1294401370.db2.gz FXJHXYXOEOWCAG-UHFFFAOYSA-N 0 0 339.351 2.603 10 5 EFBERN C/C(=C\C(=O)NCc1cc(C2CC2)n(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000885907948 1294552051 /nfs/dbraw/zinc/55/20/51/1294552051.db2.gz VRFIAZRBRQTBFS-FMIVXFBMSA-N 0 0 340.383 2.925 10 5 EFBERN COC1(c2nccn2C)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001197469588 1294558392 /nfs/dbraw/zinc/55/83/92/1294558392.db2.gz ZNACPBHSWUBTQO-UHFFFAOYSA-N 0 0 348.378 2.605 10 5 EFBERN CCC(=O)NC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001197787486 1294716418 /nfs/dbraw/zinc/71/64/18/1294716418.db2.gz WAHNFGSTWFFLAZ-UHFFFAOYSA-N 0 0 325.796 2.739 10 5 EFBERN COc1cc(CN2CCC(C(=O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000775857845 1295076727 /nfs/dbraw/zinc/07/67/27/1295076727.db2.gz FKBKGZOTBLPPSA-UHFFFAOYSA-N 0 0 346.305 2.947 10 5 EFBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2cc(O)ccc2C1 ZINC001198830836 1295256383 /nfs/dbraw/zinc/25/63/83/1295256383.db2.gz XSUMIANYNCBIEP-LBPRGKRZSA-N 0 0 341.367 2.686 10 5 EFBERN O=C(NC1([C@@H]2CCCCO2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000887086916 1295273446 /nfs/dbraw/zinc/27/34/46/1295273446.db2.gz GNZHXTBJVWGQJE-XHSDSOJGSA-N 0 0 330.384 2.916 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C2(O)CCC2)CC1 ZINC000887531737 1295422388 /nfs/dbraw/zinc/42/23/88/1295422388.db2.gz BOSJGUNJJRJMNO-ACCUITESSA-N 0 0 330.384 2.810 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@](C)(F)C2)c(F)cc1[N+](=O)[O-] ZINC000867318701 1295520587 /nfs/dbraw/zinc/52/05/87/1295520587.db2.gz FFQOJKGQJODFEC-CYBMUJFWSA-N 0 0 334.344 2.555 10 5 EFBERN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000097656215 1295775265 /nfs/dbraw/zinc/77/52/65/1295775265.db2.gz SZJZEECMJSAZOV-JMCXLMSJSA-N 0 0 346.383 2.656 10 5 EFBERN CCCCCN(C(=O)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000867343295 1295994450 /nfs/dbraw/zinc/99/44/50/1295994450.db2.gz NINUHXSEAWEHGM-UHFFFAOYSA-N 0 0 349.431 2.947 10 5 EFBERN O=C(COC(=O)c1cnc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000803827126 1313216811 /nfs/dbraw/zinc/21/68/11/1313216811.db2.gz OEQASDQWBYKBBZ-UHFFFAOYSA-N 0 0 338.678 2.822 10 5 EFBERN Cn1c(C(=O)OCc2csc([N+](=O)[O-])c2)cc2ccccc2c1=O ZINC000803869200 1313283929 /nfs/dbraw/zinc/28/39/29/1313283929.db2.gz XOWGQAKQZQEAKI-UHFFFAOYSA-N 0 0 344.348 2.865 10 5 EFBERN CC[C@@H]1OCC[C@H]1C(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000803889437 1313312297 /nfs/dbraw/zinc/31/22/97/1313312297.db2.gz ZVPNCKFSZIZXMC-MFKMUULPSA-N 0 0 327.308 2.601 10 5 EFBERN CNc1c(C(=O)N2CCS[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000928135556 1297080056 /nfs/dbraw/zinc/08/00/56/1297080056.db2.gz JGGDCDABCAZXTD-SNVBAGLBSA-N 0 0 349.334 2.756 10 5 EFBERN Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000928246813 1297086580 /nfs/dbraw/zinc/08/65/80/1297086580.db2.gz KLUUVYLKNQNTIH-TZMCWYRMSA-N 0 0 328.372 2.540 10 5 EFBERN C[C@@H](NC(=O)Cc1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000928247249 1297087317 /nfs/dbraw/zinc/08/73/17/1297087317.db2.gz SBRMRLCGAYCOIL-GFCCVEGCSA-N 0 0 328.372 2.548 10 5 EFBERN CCO[C@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000928246668 1297087766 /nfs/dbraw/zinc/08/77/66/1297087766.db2.gz IOLQRRGFEGPRBQ-WBMJQRKESA-N 0 0 336.388 2.604 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CCc1ccccc1 ZINC000928262531 1297089119 /nfs/dbraw/zinc/08/91/19/1297089119.db2.gz IKSACKAAYUJVJB-HNNXBMFYSA-N 0 0 328.368 2.627 10 5 EFBERN Cn1nccc1[C@@H]1CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000928370950 1297093851 /nfs/dbraw/zinc/09/38/51/1297093851.db2.gz ADZYEQYJPLDDEB-INIZCTEOSA-N 0 0 328.372 2.625 10 5 EFBERN Cc1cc(C(=O)NCc2c(C)cc(CO)cc2C)cc([N+](=O)[O-])c1 ZINC000928465316 1297103481 /nfs/dbraw/zinc/10/34/81/1297103481.db2.gz QLGNQZYOEHNNHH-UHFFFAOYSA-N 0 0 328.368 2.942 10 5 EFBERN Cc1ccc(NC(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000929117607 1297160285 /nfs/dbraw/zinc/16/02/85/1297160285.db2.gz AEZJSDOQVMGGCV-LSDHHAIUSA-N 0 0 349.387 2.705 10 5 EFBERN Cc1ccc(NC(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000929117599 1297160403 /nfs/dbraw/zinc/16/04/03/1297160403.db2.gz ADCIMGMUUVYDBE-ZFWWWQNUSA-N 0 0 349.387 2.563 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1COC[C@H]1C1CC1 ZINC000930159351 1297241727 /nfs/dbraw/zinc/24/17/27/1297241727.db2.gz GELQKNOHXMAPIE-CMPLNLGQSA-N 0 0 325.752 2.795 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000930921451 1297299299 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EFBERN CCc1cnccc1C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778786270 1297718972 /nfs/dbraw/zinc/71/89/72/1297718972.db2.gz HATVJAQHQDHUOW-MRXNPFEDSA-N 0 0 341.367 2.988 10 5 EFBERN COc1cc(COC(=O)[C@@](C)(O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000778810424 1297721886 /nfs/dbraw/zinc/72/18/86/1297721886.db2.gz TUIUDIAZQAGEHR-SFHVURJKSA-N 0 0 345.351 2.640 10 5 EFBERN CC(C)OCCC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000778808944 1297722589 /nfs/dbraw/zinc/72/25/89/1297722589.db2.gz FHPRKEJOAMQRGD-ZDUSSCGKSA-N 0 0 340.351 2.671 10 5 EFBERN COc1cc(COC(=O)c2sc(N)nc2C2CC2)ccc1[N+](=O)[O-] ZINC000778836345 1297725252 /nfs/dbraw/zinc/72/52/52/1297725252.db2.gz MYQIYOLXNXVFFX-UHFFFAOYSA-N 0 0 349.368 2.877 10 5 EFBERN O=C(Nc1ncc(-c2cnccn2)s1)c1ccc([N+](=O)[O-])cc1 ZINC001276489619 1313454894 /nfs/dbraw/zinc/45/48/94/1313454894.db2.gz WZBROPDJSATKKS-UHFFFAOYSA-N 0 0 327.325 2.761 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)(C(F)F)CC1 ZINC000779305181 1298190681 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CO[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000853759224 1300262885 /nfs/dbraw/zinc/26/28/85/1300262885.db2.gz UWLKDULVFHRSRB-RNCFNFMXSA-N 0 0 345.193 2.821 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H](O)c2ccccc21 ZINC000853791972 1300278881 /nfs/dbraw/zinc/27/88/81/1300278881.db2.gz LYYYMLHJXNCFFN-WBVHZDCISA-N 0 0 341.367 2.615 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000853791968 1300279794 /nfs/dbraw/zinc/27/97/94/1300279794.db2.gz LYYYMLHJXNCFFN-NVXWUHKLSA-N 0 0 341.367 2.615 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](O)C(F)(F)C2)c(C(F)(F)F)c1 ZINC000853804842 1300286005 /nfs/dbraw/zinc/28/60/05/1300286005.db2.gz WUHGPBFAQJPDAD-JTQLQIEISA-N 0 0 326.221 2.820 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1NCCS(=O)(=O)CC(F)(F)F ZINC000853817450 1300290858 /nfs/dbraw/zinc/29/08/58/1300290858.db2.gz GBLGNXQHQTWEDI-UHFFFAOYSA-N 0 0 346.714 2.637 10 5 EFBERN O=[N+]([O-])c1ccc(NCCS(=O)(=O)CC(F)(F)F)c(Cl)c1 ZINC000853817426 1300291345 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10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CC3CC2(CNC(=O)OC(C)(C)C)C3)n1 ZINC000853851920 1300309348 /nfs/dbraw/zinc/30/93/48/1300309348.db2.gz GOJZJGAZIAOHEG-UHFFFAOYSA-N 0 0 348.403 2.792 10 5 EFBERN COC(=O)C[C@H](CNc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000853868737 1300320136 /nfs/dbraw/zinc/32/01/36/1300320136.db2.gz WPBJSHYYMUPGPW-LLVKDONJSA-N 0 0 338.360 2.613 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H](O)C23CCC3)cc1Cl ZINC000853871057 1300321418 /nfs/dbraw/zinc/32/14/18/1300321418.db2.gz UVLXMQHOLQRLKI-OLZOCXBDSA-N 0 0 340.763 2.750 10 5 EFBERN CC(=O)c1ccc(N2CCO[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000853881741 1300325399 /nfs/dbraw/zinc/32/53/99/1300325399.db2.gz ZOPDWGKBOQEZQV-AMIZOPFISA-N 0 0 332.278 2.953 10 5 EFBERN Cc1noc(COC(=O)CCC(=O)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000853905617 1300331903 /nfs/dbraw/zinc/33/19/03/1300331903.db2.gz AWXRLKRHXIVLHG-UHFFFAOYSA-N 0 0 336.275 2.737 10 5 EFBERN Cc1noc(COC(=O)c2sc(CC3CC3)nc2C)c1[N+](=O)[O-] ZINC000853911576 1300336568 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EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(C3CC4(CC4(F)F)C3)n2)n1C ZINC000854053121 1300407763 /nfs/dbraw/zinc/40/77/63/1300407763.db2.gz IFHBWYHAMWFAIK-UHFFFAOYSA-N 0 0 325.275 2.590 10 5 EFBERN CC(C)(CCc1noc([C@H]2COC[C@@H]2c2ccccc2)n1)[N+](=O)[O-] ZINC000854061138 1300411994 /nfs/dbraw/zinc/41/19/94/1300411994.db2.gz XOWLGCMYUCJVBU-KGLIPLIRSA-N 0 0 331.372 2.955 10 5 EFBERN COc1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC001278130129 1313688885 /nfs/dbraw/zinc/68/88/85/1313688885.db2.gz GSWHOXVVWCDETR-UHFFFAOYSA-N 0 0 336.231 2.870 10 5 EFBERN O=C(NCCO[C@@H]1CC1(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854183956 1300464724 /nfs/dbraw/zinc/46/47/24/1300464724.db2.gz GXFPZLCUTYIYRH-SNVBAGLBSA-N 0 0 335.694 2.794 10 5 EFBERN Cc1ccncc1CN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000795260674 1300478344 /nfs/dbraw/zinc/47/83/44/1300478344.db2.gz IKARSIVNIOTMPW-UHFFFAOYSA-N 0 0 326.356 2.819 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1NC(=O)CC12CCCCC2 ZINC000854450575 1300573377 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EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H]4CSC[C@H]4C3)cc2N1 ZINC000866208316 1303564262 /nfs/dbraw/zinc/56/42/62/1303564262.db2.gz SPCWKGQGXSXDOD-VXGBXAGGSA-N 0 0 333.413 2.669 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](c2ccccc2OC)C1 ZINC000866233765 1303573325 /nfs/dbraw/zinc/57/33/25/1303573325.db2.gz OJTHJINJBIBXJZ-OAHLLOKOSA-N 0 0 346.387 2.706 10 5 EFBERN COc1ccccc1[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CCO1 ZINC000866232793 1303573693 /nfs/dbraw/zinc/57/36/93/1303573693.db2.gz PRXNTKHRHCMQBR-MRXNPFEDSA-N 0 0 329.356 2.885 10 5 EFBERN COc1ccccc1[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CCO1 ZINC000866234106 1303574384 /nfs/dbraw/zinc/57/43/84/1303574384.db2.gz QKLLKGFGQAOUGK-INIZCTEOSA-N 0 0 329.356 2.885 10 5 EFBERN COc1ccc([C@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CCO2)cc1 ZINC000866235528 1303575790 /nfs/dbraw/zinc/57/57/90/1303575790.db2.gz FUVCPGGFMRERKM-QGZVFWFLSA-N 0 0 329.356 2.764 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000866252432 1303580407 /nfs/dbraw/zinc/58/04/07/1303580407.db2.gz JJKVHAHPFAEJKU-AWEZNQCLSA-N 0 0 342.403 2.504 10 5 EFBERN Cc1cnc(N2Cc3cccnc3N3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000866253469 1303581616 /nfs/dbraw/zinc/58/16/16/1303581616.db2.gz JDGRLDXKDNFVOQ-AWEZNQCLSA-N 0 0 325.372 2.682 10 5 EFBERN CC[C@@H](C[C@@H](C)O)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000866300499 1303594008 /nfs/dbraw/zinc/59/40/08/1303594008.db2.gz AYEUVTZENDMBTJ-NEPJUHHUSA-N 0 0 341.383 2.532 10 5 EFBERN CC[C@@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000866300332 1303594260 /nfs/dbraw/zinc/59/42/60/1303594260.db2.gz VLBDBRVUSILHQE-STQMWFEESA-N 0 0 335.404 2.792 10 5 EFBERN Cc1c(CC(=O)OCc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000748470103 1313932851 /nfs/dbraw/zinc/93/28/51/1313932851.db2.gz HWROUAIAVXQXFI-UHFFFAOYSA-N 0 0 343.335 2.960 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCC[C@@H]1CCCC[C@@H]1O ZINC000866792094 1303795969 /nfs/dbraw/zinc/79/59/69/1303795969.db2.gz SZMQJADDHQPBBZ-WFASDCNBSA-N 0 0 338.379 2.724 10 5 EFBERN Cc1ccc(S(=O)(=O)NCC[C@H]2CCSC2)c(C)c1[N+](=O)[O-] ZINC000867573879 1303863677 /nfs/dbraw/zinc/86/36/77/1303863677.db2.gz PNODGEDXGXCPJE-LBPRGKRZSA-N 0 0 344.458 2.633 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867664590 1303898744 /nfs/dbraw/zinc/89/87/44/1303898744.db2.gz AMKVVCLERHHXSC-JTQLQIEISA-N 0 0 333.319 2.557 10 5 EFBERN Cc1ccc(CNS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000867785280 1303954355 /nfs/dbraw/zinc/95/43/55/1303954355.db2.gz MZKPVKZPDFOZEV-DOTOQJQBSA-N 0 0 346.408 2.879 10 5 EFBERN CC(C)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000867787860 1303957190 /nfs/dbraw/zinc/95/71/90/1303957190.db2.gz NPTYLPYQBOXSIQ-UHFFFAOYSA-N 0 0 336.360 2.696 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCCCc3cccnc32)cc1[N+](=O)[O-] ZINC000867853551 1303989478 /nfs/dbraw/zinc/98/94/78/1303989478.db2.gz ZRTXDUWLXIWAKM-UHFFFAOYSA-N 0 0 347.396 2.830 10 5 EFBERN Cc1cncc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000867895472 1304007567 /nfs/dbraw/zinc/00/75/67/1304007567.db2.gz QHRFPBHMKDVEFY-CQSZACIVSA-N 0 0 347.396 2.824 10 5 EFBERN C[C@@H]1CC[C@]2(CCN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000867979419 1304054847 /nfs/dbraw/zinc/05/48/47/1304054847.db2.gz ICJUQDJUGXXRKQ-BVGQSLNGSA-N 0 0 331.416 2.807 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[C@H]1c1cccnc1 ZINC000868029905 1304085722 /nfs/dbraw/zinc/08/57/22/1304085722.db2.gz DWYZRQBJGLODHE-KBPBESRZSA-N 0 0 329.331 2.591 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000868042686 1304091662 /nfs/dbraw/zinc/09/16/62/1304091662.db2.gz SLBPRNFARXFACA-HNNXBMFYSA-N 0 0 341.367 2.706 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000868075298 1304111251 /nfs/dbraw/zinc/11/12/51/1304111251.db2.gz YMQCNVGKAZDDLH-GDBMZVCRSA-N 0 0 333.388 2.599 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000868084041 1304115142 /nfs/dbraw/zinc/11/51/42/1304115142.db2.gz YIFJBNVLXBSUTQ-JTQLQIEISA-N 0 0 332.187 2.896 10 5 EFBERN CCOC1CC2(C[C@@H]2C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000868111846 1304132453 /nfs/dbraw/zinc/13/24/53/1304132453.db2.gz CBBWOKPGWKRIRE-UPTPFMHGSA-N 0 0 332.400 2.801 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cnc(CC2CC2)nc1 ZINC000868144494 1304152650 /nfs/dbraw/zinc/15/26/50/1304152650.db2.gz SIGWEECWPULWOX-UHFFFAOYSA-N 0 0 330.319 2.658 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC12CCOCC2 ZINC000868160240 1304162703 /nfs/dbraw/zinc/16/27/03/1304162703.db2.gz CPCWUZNYAFVNMC-CQSZACIVSA-N 0 0 333.388 2.601 10 5 EFBERN CCc1cnc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000868323365 1304243895 /nfs/dbraw/zinc/24/38/95/1304243895.db2.gz HUUQHFNYJJMNSY-UHFFFAOYSA-N 0 0 334.401 2.922 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000868339564 1304252396 /nfs/dbraw/zinc/25/23/96/1304252396.db2.gz CRZQNSUMWXOZJY-CYBMUJFWSA-N 0 0 328.372 2.901 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CSC[C@H]2C1 ZINC000868449126 1304300987 /nfs/dbraw/zinc/30/09/87/1304300987.db2.gz SUIRPZDSFXPMKD-UONOGXRCSA-N 0 0 335.429 2.532 10 5 EFBERN Cc1ccc(CNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000868494093 1304324064 /nfs/dbraw/zinc/32/40/64/1304324064.db2.gz KOWIDYFTGZPMID-UONOGXRCSA-N 0 0 335.404 2.908 10 5 EFBERN CCOC1CC(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000868531883 1304343405 /nfs/dbraw/zinc/34/34/05/1304343405.db2.gz CSYIBRYWCMVPJD-UHFFFAOYSA-N 0 0 335.404 2.908 10 5 EFBERN Cc1c(CNC(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000868535011 1304345220 /nfs/dbraw/zinc/34/52/20/1304345220.db2.gz OSWYAZDXBHCXLZ-NVXWUHKLSA-N 0 0 347.415 2.908 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868764156 1304462497 /nfs/dbraw/zinc/46/24/97/1304462497.db2.gz WZKQKWHEOAOPRR-HNNXBMFYSA-N 0 0 335.404 2.908 10 5 EFBERN Cc1ccc(CNC(=O)N2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000869053666 1304591830 /nfs/dbraw/zinc/59/18/30/1304591830.db2.gz QDZKJIYAZHOAPE-UHFFFAOYSA-N 0 0 333.388 2.615 10 5 EFBERN Cc1ccc(CNC(=O)N2CC[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000869054562 1304592544 /nfs/dbraw/zinc/59/25/44/1304592544.db2.gz MDUKYBFUJURHPE-KGLIPLIRSA-N 0 0 335.429 2.798 10 5 EFBERN Cc1ccc(CNC(=O)N2CC(F)(F)C(F)(F)C2)cc1[N+](=O)[O-] ZINC000869056235 1304593893 /nfs/dbraw/zinc/59/38/93/1304593893.db2.gz ZZYHFZODZCJIEB-UHFFFAOYSA-N 0 0 335.257 2.699 10 5 EFBERN CC(C)(CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000869067091 1304599740 /nfs/dbraw/zinc/59/97/40/1304599740.db2.gz SPYRDKHFQGSGLF-UHFFFAOYSA-N 0 0 344.362 2.987 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000869184712 1304647946 /nfs/dbraw/zinc/64/79/46/1304647946.db2.gz BPEKUXPNIDVHCL-HOCLYGCPSA-N 0 0 336.363 2.740 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1C=CCC1 ZINC000869243303 1304677355 /nfs/dbraw/zinc/67/73/55/1304677355.db2.gz PYNKYIKUZOJVOS-JTQLQIEISA-N 0 0 325.162 2.735 10 5 EFBERN O=C(O[C@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000869318915 1304716187 /nfs/dbraw/zinc/71/61/87/1304716187.db2.gz YASQMDDDGCXWMU-ZDUSSCGKSA-N 0 0 338.747 2.558 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cccc2c1CCOC2 ZINC000869336247 1304727523 /nfs/dbraw/zinc/72/75/23/1304727523.db2.gz XYUVTUMMJYJENY-UHFFFAOYSA-N 0 0 328.324 2.728 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CC2(CO1)CCOCC2 ZINC000869375775 1304748399 /nfs/dbraw/zinc/74/83/99/1304748399.db2.gz HASKDJROKNHFSN-CQSZACIVSA-N 0 0 335.356 2.646 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000869418324 1304769938 /nfs/dbraw/zinc/76/99/38/1304769938.db2.gz RIFGVOIAXPVKHH-ZDUSSCGKSA-N 0 0 335.356 2.646 10 5 EFBERN CN(CC(=O)OCc1coc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000869420197 1304771257 /nfs/dbraw/zinc/77/12/57/1304771257.db2.gz DBTNEELOVSVMAL-UHFFFAOYSA-N 0 0 331.328 2.640 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H]1CCN(C2CCC2)C1=O ZINC000869464653 1304794013 /nfs/dbraw/zinc/79/40/13/1304794013.db2.gz RBNGYWSAFQGYGS-CQSZACIVSA-N 0 0 346.383 2.830 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCN(C2CCC2)C1=O ZINC000869475836 1304800721 /nfs/dbraw/zinc/80/07/21/1304800721.db2.gz YZBYLHIUTXZQRE-YUQCYMQKSA-N 0 0 344.367 2.695 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000869493226 1304810147 /nfs/dbraw/zinc/81/01/47/1304810147.db2.gz DZTIXPSOACMETQ-CQSZACIVSA-N 0 0 344.342 2.998 10 5 EFBERN O=C(NCC[C@H]1CCSC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000869599421 1304870497 /nfs/dbraw/zinc/87/04/97/1304870497.db2.gz AJDTUHGGQKCXNO-JTQLQIEISA-N 0 0 330.356 2.946 10 5 EFBERN O=C(NCC[C@H]1CCSC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000869600967 1304871670 /nfs/dbraw/zinc/87/16/70/1304871670.db2.gz RELJMOLYQSICIG-LBPRGKRZSA-N 0 0 346.412 2.654 10 5 EFBERN COc1cc(COC(=O)[C@@H]2C[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1F ZINC000869653376 1304899543 /nfs/dbraw/zinc/89/95/43/1304899543.db2.gz CIIWEQJGRAMAHZ-ATZCPNFKSA-N 0 0 327.308 2.599 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000869705890 1304924695 /nfs/dbraw/zinc/92/46/95/1304924695.db2.gz HQOKBQNWWUIHJE-SJCJKPOMSA-N 0 0 332.356 2.965 10 5 EFBERN CC(C)C[C@@]1(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])CCNC1=O ZINC000869732996 1304940958 /nfs/dbraw/zinc/94/09/58/1304940958.db2.gz MIKKSIGICYMPJA-PXAZEXFGSA-N 0 0 334.372 2.751 10 5 EFBERN COc1cc(COC(=O)[C@@H]2C[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000869798318 1304973420 /nfs/dbraw/zinc/97/34/20/1304973420.db2.gz ZCXFCERGTCXKEM-UONOGXRCSA-N 0 0 335.356 2.709 10 5 EFBERN CC(C)(C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)c1ccccc1[N+](=O)[O-] ZINC000869821526 1304990773 /nfs/dbraw/zinc/99/07/73/1304990773.db2.gz LHSHZTFXFCSUDB-MAZHCROVSA-N 0 0 346.427 2.880 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000869891421 1305024697 /nfs/dbraw/zinc/02/46/97/1305024697.db2.gz KRLPCPDPVYGTTF-YXCITZCRSA-N 0 0 332.356 2.677 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000869893182 1305025660 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EFBERN O=[N+]([O-])c1cc(F)c(N2CCc3cc(Cl)nnc3C2)c(F)c1 ZINC001163591310 1312342427 /nfs/dbraw/zinc/34/24/27/1312342427.db2.gz SDUAWCDGBWNNBE-UHFFFAOYSA-N 0 0 326.690 2.879 10 5 EFBERN CC[C@H](CNc1c(Br)cccc1[N+](=O)[O-])C(=O)OC ZINC001163590996 1312342759 /nfs/dbraw/zinc/34/27/59/1312342759.db2.gz NRKHXZMCTOTSTE-MRVPVSSYSA-N 0 0 331.166 2.968 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001230791059 1312345655 /nfs/dbraw/zinc/34/56/55/1312345655.db2.gz CRMHXBDBKQUIKY-AZHAFVHUSA-N 0 0 333.388 2.695 10 5 EFBERN O=[N+]([O-])c1c(NCCCOc2ncccn2)ccc2cnccc21 ZINC001163629618 1312350806 /nfs/dbraw/zinc/35/08/06/1312350806.db2.gz LDHOTQBZRNQCSW-UHFFFAOYSA-N 0 0 325.328 2.814 10 5 EFBERN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)OC)c1 ZINC001163775249 1312382234 /nfs/dbraw/zinc/38/22/34/1312382234.db2.gz OIPSGXSYSWTARF-MRXNPFEDSA-N 0 0 345.355 2.502 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1ccc(OC)nc1 ZINC001163861746 1312397388 /nfs/dbraw/zinc/39/73/88/1312397388.db2.gz VMIDBZPGPPBJPJ-UHFFFAOYSA-N 0 0 345.355 2.748 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000803229492 1312400099 /nfs/dbraw/zinc/40/00/99/1312400099.db2.gz OTZLOBVVRWVTSC-JKSUJKDBSA-N 0 0 340.383 2.759 10 5 EFBERN NC(=O)Cc1cccc2c1CCN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001163900765 1312404839 /nfs/dbraw/zinc/40/48/39/1312404839.db2.gz FDSFVJSRUZTWFA-UHFFFAOYSA-N 0 0 345.786 2.839 10 5 EFBERN Cc1nc(N[C@@H](CO)c2cccc(C(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC001163913467 1312406983 /nfs/dbraw/zinc/40/69/83/1312406983.db2.gz BDMXZOPMHCTGEC-NSHDSACASA-N 0 0 342.277 2.858 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N[C@H]3COC4(CCC4)C3)c2c1 ZINC001163990109 1312421336 /nfs/dbraw/zinc/42/13/36/1312421336.db2.gz MZEKIPSLCFOAEJ-SNVBAGLBSA-N 0 0 344.327 2.597 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(NC[C@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC001164009443 1312426418 /nfs/dbraw/zinc/42/64/18/1312426418.db2.gz YOAXODXJJYBHPU-LBPRGKRZSA-N 0 0 326.356 2.937 10 5 EFBERN CN(CCn1cnnc1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164046480 1312436516 /nfs/dbraw/zinc/43/65/16/1312436516.db2.gz KCJDXRHHXIAVSH-UHFFFAOYSA-N 0 0 342.334 2.524 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@H](C)Nc2ncccc2[N+](=O)[O-])c1 ZINC001164086615 1312444366 /nfs/dbraw/zinc/44/43/66/1312444366.db2.gz ZSKAUQQDQQKLGE-ZUZCIYMTSA-N 0 0 333.344 2.541 10 5 EFBERN Cc1cc(=O)[nH]c(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC001164131196 1312453858 /nfs/dbraw/zinc/45/38/58/1312453858.db2.gz KLGQDDOBZGQACC-LLVKDONJSA-N 0 0 347.350 2.619 10 5 EFBERN COC(=O)CC(C)(C)CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001164152637 1312457692 /nfs/dbraw/zinc/45/76/92/1312457692.db2.gz SQNUCJMYWMQPRB-UHFFFAOYSA-N 0 0 335.335 2.705 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(NC[C@@H](O)Cc3ccccc3F)c21 ZINC001164151652 1312457696 /nfs/dbraw/zinc/45/76/96/1312457696.db2.gz FJYBTEPGWVWTEK-LBPRGKRZSA-N 0 0 342.330 2.693 10 5 EFBERN COC(=O)c1ccnc(NC[C@@]2(C)CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC001164169760 1312460752 /nfs/dbraw/zinc/46/07/52/1312460752.db2.gz FNJPAHOIZLWVEV-INIZCTEOSA-N 0 0 349.387 2.928 10 5 EFBERN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNc1nc3cc([N+](=O)[O-])ccc3[nH]1)O2 ZINC001164170678 1312460971 /nfs/dbraw/zinc/46/09/71/1312460971.db2.gz SDXMPYMLGOEGPG-WYFUGZQLSA-N 0 0 346.387 2.856 10 5 EFBERN O=C(OC[C@H]1Cc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000803284924 1312464488 /nfs/dbraw/zinc/46/44/88/1312464488.db2.gz IZULIPCRPLZBTB-GFCCVEGCSA-N 0 0 328.280 3.000 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@H]2CC[C@@H](C3CC3)O2)c1[N+](=O)[O-] ZINC001164261521 1312480887 /nfs/dbraw/zinc/48/08/87/1312480887.db2.gz TUICGRLTDILVSX-YPMHNXCESA-N 0 0 335.360 2.536 10 5 EFBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001164264894 1312481526 /nfs/dbraw/zinc/48/15/26/1312481526.db2.gz KRCDERVDADCSRH-HMDURAKOSA-N 0 0 342.355 2.538 10 5 EFBERN CS(=O)(=O)c1ccc(N[C@@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC001164276270 1312484031 /nfs/dbraw/zinc/48/40/31/1312484031.db2.gz IUDDBKJKHSTSNH-CQSZACIVSA-N 0 0 347.396 2.883 10 5 EFBERN CCOC(=O)c1ccnc(NC2CC3(C2)COC(C)(C)C3)c1[N+](=O)[O-] ZINC001164303003 1312487990 /nfs/dbraw/zinc/48/79/90/1312487990.db2.gz NBMUQBUPWWJQGT-UHFFFAOYSA-N 0 0 349.387 2.926 10 5 EFBERN CC[C@H](NC(=O)N(C)Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC001231411994 1312492272 /nfs/dbraw/zinc/49/22/72/1312492272.db2.gz KKGNDXMSPVALSK-HNNXBMFYSA-N 0 0 331.376 2.621 10 5 EFBERN NS(=O)(=O)c1cccc(NC[C@H]2CCC=CCCC2)c1[N+](=O)[O-] ZINC001164333136 1312494186 /nfs/dbraw/zinc/49/41/86/1312494186.db2.gz SZFGNHOTGVCHCR-LBPRGKRZSA-N 0 0 339.417 2.791 10 5 EFBERN Cc1cc(N2CCN(c3cnccn3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001164383021 1312505935 /nfs/dbraw/zinc/50/59/35/1312505935.db2.gz FOPMQLPHJJNJFF-GFCCVEGCSA-N 0 0 331.351 2.547 10 5 EFBERN CCNc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC001164393869 1312507330 /nfs/dbraw/zinc/50/73/30/1312507330.db2.gz MRBGVRJCBZDURW-UHFFFAOYSA-N 0 0 336.373 2.569 10 5 EFBERN CCNc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cn1 ZINC001164393107 1312507484 /nfs/dbraw/zinc/50/74/84/1312507484.db2.gz FQRKSCZRBVQDTC-UHFFFAOYSA-N 0 0 336.373 2.569 10 5 EFBERN Cn1ccnc1[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903259596 1312514464 /nfs/dbraw/zinc/51/44/64/1312514464.db2.gz IAFYJFQQVGEITG-IKGGRYGDSA-N 0 0 342.399 2.575 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001164674435 1312557094 /nfs/dbraw/zinc/55/70/94/1312557094.db2.gz VECGWTUZRZVKPK-ITGUQSILSA-N 0 0 327.402 2.881 10 5 EFBERN Cc1ncc(Cl)c(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000803368719 1312559215 /nfs/dbraw/zinc/55/92/15/1312559215.db2.gz DUCOBNRRTIEPLZ-UHFFFAOYSA-N 0 0 343.673 2.982 10 5 EFBERN CN(CC(=O)OC[C@@H]1Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000803373002 1312562370 /nfs/dbraw/zinc/56/23/70/1312562370.db2.gz QZKULVBHXRIMOG-AWEZNQCLSA-N 0 0 326.352 2.914 10 5 EFBERN C/C(=C\C(=O)N(C)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001277564372 1312564059 /nfs/dbraw/zinc/56/40/59/1312564059.db2.gz BZGWSGRNBNILOK-UKTHLTGXSA-N 0 0 329.400 2.594 10 5 EFBERN O=C(OCc1ccc2c(c1)OC(F)(F)O2)c1ccc([N+](=O)[O-])cn1 ZINC000803393508 1312581640 /nfs/dbraw/zinc/58/16/40/1312581640.db2.gz RGMOQAIDUFZMJO-UHFFFAOYSA-N 0 0 338.222 2.668 10 5 EFBERN Cc1ncc(COC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cn1 ZINC000803426164 1312613266 /nfs/dbraw/zinc/61/32/66/1312613266.db2.gz WNKNDXCGBRSNGT-UHFFFAOYSA-N 0 0 339.254 2.652 10 5 EFBERN COc1ccc(O)cc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803449633 1312639937 /nfs/dbraw/zinc/63/99/37/1312639937.db2.gz HEJBOPZRAJYQAM-UHFFFAOYSA-N 0 0 339.250 2.944 10 5 EFBERN O=C(NN1CCc2ccccc2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001165595100 1312650859 /nfs/dbraw/zinc/65/08/59/1312650859.db2.gz MMZIMKXPOHMYFU-UHFFFAOYSA-N 0 0 331.759 2.951 10 5 EFBERN C=C/C=C\CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001213570064 1314575621 /nfs/dbraw/zinc/57/56/21/1314575621.db2.gz GJPJUQQZFGCOBM-PLNGDYQASA-N 0 0 330.793 2.967 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CCCC2(CC2)C1 ZINC001246193399 1314595640 /nfs/dbraw/zinc/59/56/40/1314595640.db2.gz CLNLBAWMSBAJAF-NSHDSACASA-N 0 0 343.387 2.993 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001248431049 1314934763 /nfs/dbraw/zinc/93/47/63/1314934763.db2.gz XAPWBMRGKFDCQP-CMPLNLGQSA-N 0 0 329.360 2.815 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001248636528 1314950414 /nfs/dbraw/zinc/95/04/14/1314950414.db2.gz WTTGZCWAXSFTHP-BXUZGUMPSA-N 0 0 333.344 2.590 10 5 EFBERN C[C@@H](NC(=O)N1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001248635347 1314950583 /nfs/dbraw/zinc/95/05/83/1314950583.db2.gz DGXGNUYMTNEYIU-WQAKAFBOSA-N 0 0 325.315 2.952 10 5 EFBERN COc1ccc(CNC(=O)Cc2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC001318336730 1328557343 /nfs/dbraw/zinc/55/73/43/1328557343.db2.gz QLOVWZMSPTXJAH-UHFFFAOYSA-N 0 0 335.385 2.536 10 5 EFBERN O=C(Nc1cc(F)ccn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001278564984 1315204864 /nfs/dbraw/zinc/20/48/64/1315204864.db2.gz VBZWIWNJZYRSRL-UHFFFAOYSA-N 0 0 327.218 2.983 10 5 EFBERN C[C@@H](CNC(=O)NCC[C@@H](O)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001251305879 1315339548 /nfs/dbraw/zinc/33/95/48/1315339548.db2.gz YQRSPFIGPOGGCG-SUMWQHHRSA-N 0 0 349.431 2.939 10 5 EFBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1N1CCCC1=O ZINC001253002297 1315549673 /nfs/dbraw/zinc/54/96/73/1315549673.db2.gz ZFRRGRWBICUBQC-UHFFFAOYSA-N 0 0 340.339 2.677 10 5 EFBERN CO[C@H]1COCC[C@@H]1CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001278725033 1315609666 /nfs/dbraw/zinc/60/96/66/1315609666.db2.gz AQDJRMUHBPCSPE-DOMZBBRYSA-N 0 0 345.355 2.523 10 5 EFBERN CO[C@@H]1COCC[C@@H]1CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001278725034 1315609842 /nfs/dbraw/zinc/60/98/42/1315609842.db2.gz AQDJRMUHBPCSPE-IUODEOHRSA-N 0 0 345.355 2.523 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001254951950 1315764126 /nfs/dbraw/zinc/76/41/26/1315764126.db2.gz LWTJYCWEXALKOU-NSHDSACASA-N 0 0 330.344 2.564 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001254973493 1315767221 /nfs/dbraw/zinc/76/72/21/1315767221.db2.gz BKUKWDPWNJBJSW-GFCCVEGCSA-N 0 0 343.387 2.989 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001255459368 1315825894 /nfs/dbraw/zinc/82/58/94/1315825894.db2.gz DXPKACRVINSXDJ-BFHYXJOUSA-N 0 0 332.404 2.742 10 5 EFBERN CCC(CC)(CO)CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001255905124 1315878975 /nfs/dbraw/zinc/87/89/75/1315878975.db2.gz KDIXZSXBPBKWFJ-ZDUSSCGKSA-N 0 0 337.420 2.796 10 5 EFBERN C[C@H](CNC(=O)NCC1(CO)CCCC1)c1ccccc1[N+](=O)[O-] ZINC001255916406 1315880367 /nfs/dbraw/zinc/88/03/67/1315880367.db2.gz PETHGTXRWBURPY-CYBMUJFWSA-N 0 0 335.404 2.550 10 5 EFBERN Cc1nnc(CN(C)C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001255917332 1315880417 /nfs/dbraw/zinc/88/04/17/1315880417.db2.gz YDVFDVZJHUKVNP-JTQLQIEISA-N 0 0 349.416 2.700 10 5 EFBERN O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)CCCC2CCOCC2)c1 ZINC000827369621 1315979137 /nfs/dbraw/zinc/97/91/37/1315979137.db2.gz GOFVQYFMTKIWLH-UHFFFAOYSA-N 0 0 347.364 2.649 10 5 EFBERN Cc1cc([C@@H]([NH3+])CC(=O)NCc2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000827821309 1316020001 /nfs/dbraw/zinc/02/00/01/1316020001.db2.gz VMWNDKBGPBUKCR-AWEZNQCLSA-N 0 0 348.790 2.658 10 5 EFBERN Cc1coc(C)c1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001258291949 1316138069 /nfs/dbraw/zinc/13/80/69/1316138069.db2.gz LEQATHLJHBPVNZ-UHFFFAOYSA-N 0 0 343.383 2.763 10 5 EFBERN Cc1ccnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC001299600573 1316259749 /nfs/dbraw/zinc/25/97/49/1316259749.db2.gz VIDOXUJZYUIJEL-GFCCVEGCSA-N 0 0 344.371 2.971 10 5 EFBERN Nc1c(C(=O)N2CC[C@@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC001261276882 1316400870 /nfs/dbraw/zinc/40/08/70/1316400870.db2.gz WKDNTMGZILKQTI-SNVBAGLBSA-N 0 0 340.177 2.564 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC001261526208 1316416989 /nfs/dbraw/zinc/41/69/89/1316416989.db2.gz BQHBXUOHIORXIX-AWEZNQCLSA-N 0 0 325.315 2.898 10 5 EFBERN CO[C@@H]1CC[C@@H](C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC001261596899 1316420763 /nfs/dbraw/zinc/42/07/63/1316420763.db2.gz LMFMVQYVSNDAPG-DGCLKSJQSA-N 0 0 347.327 2.503 10 5 EFBERN O=C(NC1CC2(CC2(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261641809 1316422237 /nfs/dbraw/zinc/42/22/37/1316422237.db2.gz ODXPDZMSTUUBOL-UHFFFAOYSA-N 0 0 337.326 2.850 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCOCC4(CC4)C3)c2c1 ZINC001261654083 1316422970 /nfs/dbraw/zinc/42/29/70/1316422970.db2.gz HCHAFPCQGBOGGT-UHFFFAOYSA-N 0 0 334.763 2.808 10 5 EFBERN COc1cc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1C ZINC001261780177 1316430373 /nfs/dbraw/zinc/43/03/73/1316430373.db2.gz HSXPRLCYNZRMSQ-JGPRNRPPSA-N 0 0 326.299 2.685 10 5 EFBERN Cc1c([C@@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cnn1C ZINC001261847321 1316433495 /nfs/dbraw/zinc/43/34/95/1316433495.db2.gz RFXCOXVBVKTRMK-GFCCVEGCSA-N 0 0 342.399 2.936 10 5 EFBERN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261878126 1316435763 /nfs/dbraw/zinc/43/57/63/1316435763.db2.gz DEEYUGALZRCJCX-YOEHRIQHSA-N 0 0 345.399 2.825 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC001261887293 1316435992 /nfs/dbraw/zinc/43/59/92/1316435992.db2.gz DPGIELDPQVKPTG-LRDDRELGSA-N 0 0 333.388 2.572 10 5 EFBERN COc1cc(NCc2cn(C)nc2[N+](=O)[O-])ccc1C(F)(F)F ZINC001262157054 1316450123 /nfs/dbraw/zinc/45/01/23/1316450123.db2.gz OJYYKQSHIGGXDX-UHFFFAOYSA-N 0 0 330.266 2.968 10 5 EFBERN COC(=O)[C@H]1C[C@@H]2C[C@H](OC(=O)c3cc(C)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001263658975 1316554253 /nfs/dbraw/zinc/55/42/53/1316554253.db2.gz CADKBYHPPOFGEB-ZAZJYDDPSA-N 0 0 333.340 2.648 10 5 EFBERN CC(C)(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC001263786088 1316561312 /nfs/dbraw/zinc/56/13/12/1316561312.db2.gz BHIKFOKATSNGOS-UHFFFAOYSA-N 0 0 332.278 2.773 10 5 EFBERN CCOC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)[nH]c1C ZINC001264206864 1316601222 /nfs/dbraw/zinc/60/12/22/1316601222.db2.gz BEHJOXSBVNDQBV-UHFFFAOYSA-N 0 0 335.291 2.799 10 5 EFBERN CC(=O)N(CC(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001264216096 1316601790 /nfs/dbraw/zinc/60/17/90/1316601790.db2.gz PVMWWUZKHANIDS-UHFFFAOYSA-N 0 0 328.324 2.691 10 5 EFBERN COc1ccc(NC(=O)c2ccc(OC(F)F)nc2)c([N+](=O)[O-])c1 ZINC001264211754 1316601821 /nfs/dbraw/zinc/60/18/21/1316601821.db2.gz AMKWWGKYTAVXNA-UHFFFAOYSA-N 0 0 339.254 2.852 10 5 EFBERN Cc1cc(C)cc(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001264223130 1316601947 /nfs/dbraw/zinc/60/19/47/1316601947.db2.gz QHIHFWXRLQANKC-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN CC(C)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001264219204 1316602088 /nfs/dbraw/zinc/60/20/88/1316602088.db2.gz CQVWEQKGLRHATC-GFCCVEGCSA-N 0 0 346.391 2.515 10 5 EFBERN CCOc1cc(NC(=O)Cn2nccc2C)c([N+](=O)[O-])cc1OCC ZINC001264282293 1316602725 /nfs/dbraw/zinc/60/27/25/1316602725.db2.gz OSRZKTAGMDTFSA-UHFFFAOYSA-N 0 0 348.359 2.536 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1cn2ccccc2n1 ZINC001264324987 1316603733 /nfs/dbraw/zinc/60/37/33/1316603733.db2.gz GWBTWGROWGFBSR-UHFFFAOYSA-N 0 0 338.367 2.832 10 5 EFBERN NC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)ccc1F ZINC001264357609 1316604639 /nfs/dbraw/zinc/60/46/39/1316604639.db2.gz UKWCAKXPZMUPPT-QWHCGFSZSA-N 0 0 343.314 2.575 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1ccccc1 ZINC001264703065 1316658329 /nfs/dbraw/zinc/65/83/29/1316658329.db2.gz FTBQULXNTIEFDL-UHFFFAOYSA-N 0 0 327.340 2.580 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnn(Cc3ccccc3)c2)n1 ZINC001264749526 1316666573 /nfs/dbraw/zinc/66/65/73/1316666573.db2.gz ZGRHWLGERBRTQK-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN O=C(NCc1ccc(-n2ccnc2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001264845789 1316672097 /nfs/dbraw/zinc/67/20/97/1316672097.db2.gz IAVATIKBNOXQTI-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001264867002 1316672790 /nfs/dbraw/zinc/67/27/90/1316672790.db2.gz XOKGVXSCRVDHKI-TZMCWYRMSA-N 0 0 343.387 2.732 10 5 EFBERN Cc1cc(COCC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)no1 ZINC001264949647 1316674754 /nfs/dbraw/zinc/67/47/54/1316674754.db2.gz LBXBDMJUNUKKED-UHFFFAOYSA-N 0 0 325.708 2.700 10 5 EFBERN Cc1ccccc1C1=NO[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001265230253 1316760822 /nfs/dbraw/zinc/76/08/22/1316760822.db2.gz ZZUWYBBJVHMWSC-KRWDZBQOSA-N 0 0 339.351 2.713 10 5 EFBERN Cc1cccc(Oc2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccn2)c1C ZINC001265589840 1316831484 /nfs/dbraw/zinc/83/14/84/1316831484.db2.gz ABBLTUVRKDKMEY-HUUCEWRRSA-N 0 0 341.367 2.772 10 5 EFBERN Cc1nc([C@H]2CCOC2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001265687248 1316854057 /nfs/dbraw/zinc/85/40/57/1316854057.db2.gz QUAHWFCGBSCEOH-JTQLQIEISA-N 0 0 348.384 2.819 10 5 EFBERN COC[C@@H](Cc1ccccc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001265712647 1316865605 /nfs/dbraw/zinc/86/56/05/1316865605.db2.gz UBWDSNKFGFCXJF-CYBMUJFWSA-N 0 0 332.331 2.721 10 5 EFBERN CC[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1noc(C)n1 ZINC001265768016 1316874226 /nfs/dbraw/zinc/87/42/26/1316874226.db2.gz QNKNLQRMKIGHCA-SNVBAGLBSA-N 0 0 336.373 2.646 10 5 EFBERN CCCOc1cc(C)ccc1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001265859869 1316895483 /nfs/dbraw/zinc/89/54/83/1316895483.db2.gz VQNBTHLQAKXIMN-UHFFFAOYSA-N 0 0 346.387 2.513 10 5 EFBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)C12CCC2 ZINC001265916080 1316912357 /nfs/dbraw/zinc/91/23/57/1316912357.db2.gz NVUPCAHONAHKPC-HUUCEWRRSA-N 0 0 333.388 2.718 10 5 EFBERN CC1(C)CCCC[C@@H]1NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001265972097 1316933515 /nfs/dbraw/zinc/93/35/15/1316933515.db2.gz JUYSCGAITYMEPI-ZDUSSCGKSA-N 0 0 343.387 2.874 10 5 EFBERN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)NCCn1cc([N+](=O)[O-])cn1 ZINC001265980067 1316936799 /nfs/dbraw/zinc/93/67/99/1316936799.db2.gz BJBCDEUHBPJOBB-WDEREUQCSA-N 0 0 348.325 2.666 10 5 EFBERN O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)NCCn1cc([N+](=O)[O-])cn1 ZINC001265980065 1316936847 /nfs/dbraw/zinc/93/68/47/1316936847.db2.gz BJBCDEUHBPJOBB-QWRGUYRKSA-N 0 0 348.325 2.666 10 5 EFBERN Cc1cccc(C)c1OC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)(C)C ZINC001266209818 1317150597 /nfs/dbraw/zinc/15/05/97/1317150597.db2.gz UZQTZPLMVWJVMT-KFWWJZLASA-N 0 0 334.416 2.878 10 5 EFBERN Cc1ccc(N(C)CCNC(=O)c2ccn(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001316594595 1317220667 /nfs/dbraw/zinc/22/06/67/1317220667.db2.gz JUXUPWLAFVQUBV-UHFFFAOYSA-N 0 0 345.403 2.547 10 5 EFBERN O=C(C=C1CCC1)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001279528089 1317286287 /nfs/dbraw/zinc/28/62/87/1317286287.db2.gz PIMZHMXETRXKKY-UHFFFAOYSA-N 0 0 341.411 2.953 10 5 EFBERN O=C(Nc1ccc2c(c1)CCOC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001279549520 1317293276 /nfs/dbraw/zinc/29/32/76/1317293276.db2.gz IMXCQEZMWJYLPW-UHFFFAOYSA-N 0 0 342.307 2.649 10 5 EFBERN CC(C)(C)C(=O)NCC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001279674968 1317355551 /nfs/dbraw/zinc/35/55/51/1317355551.db2.gz ACNONCNRHUHTEG-UHFFFAOYSA-N 0 0 337.445 2.951 10 5 EFBERN COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)c1C ZINC001280182259 1317471454 /nfs/dbraw/zinc/47/14/54/1317471454.db2.gz HTPPFLSGJGUSFD-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN CCCC1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC001318880206 1328731233 /nfs/dbraw/zinc/73/12/33/1328731233.db2.gz DKFGOTSDZROFQD-UHFFFAOYSA-N 0 0 343.387 2.828 10 5 EFBERN C[C@@H]1CCc2ccccc2N1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001319343240 1328858321 /nfs/dbraw/zinc/85/83/21/1328858321.db2.gz BEJZRHRXCPQSRF-CYBMUJFWSA-N 0 0 340.383 2.561 10 5 EFBERN COC(=O)c1oc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C ZINC001287591603 1321496856 /nfs/dbraw/zinc/49/68/56/1321496856.db2.gz VOKWNUFOUNGDGA-UHFFFAOYSA-N 0 0 346.339 2.830 10 5 EFBERN COC(=O)c1cnc(Cl)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001287685396 1321515975 /nfs/dbraw/zinc/51/59/75/1321515975.db2.gz LHJGUEAPGJANPX-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN O=C(OCc1coc(C2CC2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001287722467 1321524390 /nfs/dbraw/zinc/52/43/90/1321524390.db2.gz BMEZCTXSWHRXLB-UHFFFAOYSA-N 0 0 332.268 2.546 10 5 EFBERN Cc1ccc(CNC(=O)c2coc3c2C(=O)CCC3)cc1[N+](=O)[O-] ZINC001287962173 1321562173 /nfs/dbraw/zinc/56/21/73/1321562173.db2.gz MNSZQQUREZRXTO-UHFFFAOYSA-N 0 0 328.324 2.945 10 5 EFBERN COc1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC001287961772 1321562240 /nfs/dbraw/zinc/56/22/40/1321562240.db2.gz CTNNTHQGTJISPZ-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN Cc1ccc(CNC(=O)c2cnc(-c3ccccn3)nc2)cc1[N+](=O)[O-] ZINC001287964654 1321563373 /nfs/dbraw/zinc/56/33/73/1321563373.db2.gz LBDYTCSTSBHLHZ-UHFFFAOYSA-N 0 0 349.350 2.685 10 5 EFBERN O=C(NCc1noc2ccc(F)cc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001287979917 1321568724 /nfs/dbraw/zinc/56/87/24/1321568724.db2.gz AAVWHGCMQHGGGH-UHFFFAOYSA-N 0 0 333.250 2.944 10 5 EFBERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC001288205806 1321614885 /nfs/dbraw/zinc/61/48/85/1321614885.db2.gz VXLFMQIRPSKKHC-LQDVMPOASA-N 0 0 342.355 2.837 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1c(F)ccc2ccncc21 ZINC001288215638 1321619103 /nfs/dbraw/zinc/61/91/03/1321619103.db2.gz BXUHBWDLZILTAK-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN C[C@H](OC(=O)[C@H]1CC(c2ccccn2)=NO1)c1ccccc1[N+](=O)[O-] ZINC001288220429 1321620439 /nfs/dbraw/zinc/62/04/39/1321620439.db2.gz YNBALZCEMGRTLO-MEDUHNTESA-N 0 0 341.323 2.787 10 5 EFBERN CCC[C@@H](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001288398721 1321659212 /nfs/dbraw/zinc/65/92/12/1321659212.db2.gz SVEQYATZTQNPLK-LLVKDONJSA-N 0 0 342.417 2.554 10 5 EFBERN CCOC(=O)c1cc(C(=O)NC[C@]2(C)CC2(C)C)cc([N+](=O)[O-])c1 ZINC001288405766 1321661460 /nfs/dbraw/zinc/66/14/60/1321661460.db2.gz VWLUCLAOTWGJDR-KRWDZBQOSA-N 0 0 334.372 2.938 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(Cl)s1 ZINC001288535330 1321705503 /nfs/dbraw/zinc/70/55/03/1321705503.db2.gz NLGPEQQQUIXFJB-UHFFFAOYSA-N 0 0 327.749 2.643 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(n1)CCCC2 ZINC001288548620 1321708328 /nfs/dbraw/zinc/70/83/28/1321708328.db2.gz IEWJOKCJORRBTD-UHFFFAOYSA-N 0 0 327.340 2.886 10 5 EFBERN O=C(NCCN1CCc2ccccc21)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001288672599 1321732109 /nfs/dbraw/zinc/73/21/09/1321732109.db2.gz YJBJLLBFAZYNIH-UHFFFAOYSA-N 0 0 347.321 2.666 10 5 EFBERN Cc1cnc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 ZINC001288709271 1321743178 /nfs/dbraw/zinc/74/31/78/1321743178.db2.gz YEULJNZKMNKVIB-UHFFFAOYSA-N 0 0 338.367 2.947 10 5 EFBERN COC(=O)/C=C\c1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001288790921 1321760162 /nfs/dbraw/zinc/76/01/62/1321760162.db2.gz GGJWFIUPGUNFIV-IEHMKBBKSA-N 0 0 344.323 2.865 10 5 EFBERN COC(=O)c1cccc(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001288796337 1321761301 /nfs/dbraw/zinc/76/13/01/1321761301.db2.gz XOXGRQIEKVPYSV-LBPRGKRZSA-N 0 0 342.351 2.801 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)no1 ZINC001288828617 1321771394 /nfs/dbraw/zinc/77/13/94/1321771394.db2.gz FJDHJRRLZWNEQV-JTQLQIEISA-N 0 0 336.735 2.569 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cncc(Cl)c1 ZINC001288863370 1321781144 /nfs/dbraw/zinc/78/11/44/1321781144.db2.gz PJCYNPXNIXKTPQ-UHFFFAOYSA-N 0 0 331.719 2.632 10 5 EFBERN C[S@@](=O)(=NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001289020504 1321798555 /nfs/dbraw/zinc/79/85/55/1321798555.db2.gz AAHXYZBGELFTHZ-QHCPKHFHSA-N 0 0 336.344 2.960 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001289054145 1321799481 /nfs/dbraw/zinc/79/94/81/1321799481.db2.gz CVBCWLSVZOKTTB-UHFFFAOYSA-N 0 0 327.340 2.539 10 5 EFBERN O=C(Nc1n[nH]c(-c2ccco2)n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001289106129 1321800174 /nfs/dbraw/zinc/80/01/74/1321800174.db2.gz GKTZBQZUILCWRF-NEPJUHHUSA-N 0 0 339.311 2.715 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2cccc3cccc1c32 ZINC001289111034 1321800711 /nfs/dbraw/zinc/80/07/11/1321800711.db2.gz RYUXRMLIFDOMQA-MRXNPFEDSA-N 0 0 336.351 2.748 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2cccc3cccc1c32 ZINC001289111032 1321801000 /nfs/dbraw/zinc/80/10/00/1321801000.db2.gz RYUXRMLIFDOMQA-INIZCTEOSA-N 0 0 336.351 2.748 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ccon3)c2)n1 ZINC001289211630 1321806925 /nfs/dbraw/zinc/80/69/25/1321806925.db2.gz QJMDNIWSPATLBL-UHFFFAOYSA-N 0 0 327.300 2.719 10 5 EFBERN CC(C)(CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC001289335197 1321812927 /nfs/dbraw/zinc/81/29/27/1321812927.db2.gz OUIKYMKTXZUYKX-OAHLLOKOSA-N 0 0 331.372 2.640 10 5 EFBERN COc1ccccc1C(=O)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001289346504 1321813382 /nfs/dbraw/zinc/81/33/82/1321813382.db2.gz CRQKYMGGSHQXDN-LBPRGKRZSA-N 0 0 342.351 2.706 10 5 EFBERN Cc1c(NC(=O)c2cncn2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001289435642 1321817113 /nfs/dbraw/zinc/81/71/13/1321817113.db2.gz CETLZZQGOVIXJK-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc3nonc3c2)c1F ZINC001289589344 1321821542 /nfs/dbraw/zinc/82/15/42/1321821542.db2.gz LALKHMKFGKSKOD-UHFFFAOYSA-N 0 0 330.275 2.509 10 5 EFBERN CSc1ccc(C(=O)NCc2ccc3nonc3c2)cc1[N+](=O)[O-] ZINC001289589591 1321821576 /nfs/dbraw/zinc/82/15/76/1321821576.db2.gz UKZKTFMFJPXKQP-UHFFFAOYSA-N 0 0 344.352 2.783 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cnc(F)c(F)c1 ZINC001289755490 1321824958 /nfs/dbraw/zinc/82/49/58/1321824958.db2.gz PNEYMIRRPLVGCI-UHFFFAOYSA-N 0 0 332.266 2.861 10 5 EFBERN Cc1cc(NC(=O)c2cnnn2-c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC001289786107 1321827194 /nfs/dbraw/zinc/82/71/94/1321827194.db2.gz ZGMBFYOYOIYZRF-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN CCC(CC)N1C[C@@H](C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1=O ZINC001289784371 1321827315 /nfs/dbraw/zinc/82/73/15/1321827315.db2.gz CUHUZXRFAVZRSV-LBPRGKRZSA-N 0 0 333.388 2.879 10 5 EFBERN Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c1 ZINC001289784412 1321827691 /nfs/dbraw/zinc/82/76/91/1321827691.db2.gz DNUREDVPMBYVOF-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001289875904 1321833062 /nfs/dbraw/zinc/83/30/62/1321833062.db2.gz UZILFELGKURIOP-ARLBYUKCSA-N 0 0 346.383 2.546 10 5 EFBERN Cc1nccnc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001289892432 1321834805 /nfs/dbraw/zinc/83/48/05/1321834805.db2.gz BSYFZUWHVODQKU-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN COC(=O)CCCCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001290027423 1321865276 /nfs/dbraw/zinc/86/52/76/1321865276.db2.gz VZWOGXUDMNSDTK-UHFFFAOYSA-N 0 0 342.779 2.640 10 5 EFBERN O=C(NCCc1cccc(Cl)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001290116197 1321879132 /nfs/dbraw/zinc/87/91/32/1321879132.db2.gz SENQHJZEFAMUTJ-UHFFFAOYSA-N 0 0 329.143 2.597 10 5 EFBERN CCCOc1ccnc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC001290161486 1321882048 /nfs/dbraw/zinc/88/20/48/1321882048.db2.gz WBMJVCUWCPVIHR-UHFFFAOYSA-N 0 0 330.344 2.663 10 5 EFBERN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1n[nH]cc1[N+](=O)[O-] ZINC001290288736 1321895361 /nfs/dbraw/zinc/89/53/61/1321895361.db2.gz FFGICMJGZUNKBT-UHFFFAOYSA-N 0 0 348.322 2.885 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ncc[nH]1 ZINC001306847684 1321909857 /nfs/dbraw/zinc/90/98/57/1321909857.db2.gz RXPSIFVZBFVNQP-ZETCQYMHSA-N 0 0 328.250 2.828 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001290405836 1321910625 /nfs/dbraw/zinc/91/06/25/1321910625.db2.gz YIINWFCWANXAQJ-UHFFFAOYSA-N 0 0 338.327 2.644 10 5 EFBERN COc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(N)c1F ZINC001290711712 1321944121 /nfs/dbraw/zinc/94/41/21/1321944121.db2.gz LHURNHSEUOBBHG-UHFFFAOYSA-N 0 0 333.319 2.597 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1c(C)noc1C ZINC001290844452 1321966402 /nfs/dbraw/zinc/96/64/02/1321966402.db2.gz FZEGHWKHGDBKLJ-UHFFFAOYSA-N 0 0 333.344 2.871 10 5 EFBERN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)N(C)c1ccccc1 ZINC001290904678 1321970165 /nfs/dbraw/zinc/97/01/65/1321970165.db2.gz CVGFYXURSUFKOQ-GFCCVEGCSA-N 0 0 331.347 2.989 10 5 EFBERN C[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C)C1 ZINC001291214950 1321978065 /nfs/dbraw/zinc/97/80/65/1321978065.db2.gz HAAOERRDJUAXFA-LALPHHSUSA-N 0 0 343.387 2.659 10 5 EFBERN Cc1nc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC001291711657 1321999908 /nfs/dbraw/zinc/99/99/08/1321999908.db2.gz RWBJYDRPVHWUJD-UHFFFAOYSA-N 0 0 325.777 2.872 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(Cl)nc1 ZINC001291732574 1322003371 /nfs/dbraw/zinc/00/33/71/1322003371.db2.gz LTWQGGCGRSQWAM-UHFFFAOYSA-N 0 0 347.758 2.923 10 5 EFBERN C[C@H](NC(=O)c1c[nH]nc1[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001291742659 1322004681 /nfs/dbraw/zinc/00/46/81/1322004681.db2.gz ROQFNUMIRXKUBZ-IINYFYTJSA-N 0 0 330.344 2.660 10 5 EFBERN Cc1cccc(OC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001291913333 1322021690 /nfs/dbraw/zinc/02/16/90/1322021690.db2.gz XVRGUSORFHIUSX-GFCCVEGCSA-N 0 0 329.356 2.683 10 5 EFBERN CCOc1ccccc1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001291928628 1322023682 /nfs/dbraw/zinc/02/36/82/1322023682.db2.gz OEKFMYBVYVNIEC-UHFFFAOYSA-N 0 0 332.331 2.992 10 5 EFBERN O=C(Nc1ccc[nH]c1=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001292374231 1322059225 /nfs/dbraw/zinc/05/92/25/1322059225.db2.gz AWAAQBGEZYTFQQ-UHFFFAOYSA-N 0 0 338.117 2.710 10 5 EFBERN CCC(=O)Nc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001292477432 1322078982 /nfs/dbraw/zinc/07/89/82/1322078982.db2.gz AANIHLMUELUPRR-UHFFFAOYSA-N 0 0 337.723 2.572 10 5 EFBERN Cc1ccccc1C(C)(C)CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001292591335 1322092578 /nfs/dbraw/zinc/09/25/78/1322092578.db2.gz SJSNHEMLTIDREA-UHFFFAOYSA-N 0 0 328.372 2.588 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)n1 ZINC001292715657 1322108734 /nfs/dbraw/zinc/10/87/34/1322108734.db2.gz LXPLOLNAQWNDEW-MRXNPFEDSA-N 0 0 345.330 2.651 10 5 EFBERN COc1ccccc1[C@@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001292882407 1322142233 /nfs/dbraw/zinc/14/22/33/1322142233.db2.gz NVGPSXCKKYKHGS-LBPRGKRZSA-N 0 0 330.344 2.694 10 5 EFBERN COc1ccccc1[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001292882406 1322142437 /nfs/dbraw/zinc/14/24/37/1322142437.db2.gz NVGPSXCKKYKHGS-GFCCVEGCSA-N 0 0 330.344 2.694 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC(O)(c3cccc4ccccc43)C2)c(F)c1 ZINC001307153895 1322150982 /nfs/dbraw/zinc/15/09/82/1322150982.db2.gz NLSMPQWIYAAOQH-UHFFFAOYSA-N 0 0 339.326 2.990 10 5 EFBERN CNc1c(C(=O)N(C)CC(F)(F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC001293200477 1322207182 /nfs/dbraw/zinc/20/71/82/1322207182.db2.gz BNYYMGQBSZWANB-UHFFFAOYSA-N 0 0 341.236 2.906 10 5 EFBERN Cc1cc(Cl)c(C(=O)N(C)C2CCS(=O)CC2)cc1[N+](=O)[O-] ZINC001293391907 1322242637 /nfs/dbraw/zinc/24/26/37/1322242637.db2.gz FXVNWXJMFJPFPL-UHFFFAOYSA-N 0 0 344.820 2.540 10 5 EFBERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293500892 1322270178 /nfs/dbraw/zinc/27/01/78/1322270178.db2.gz OMKWPJHNXLLBBA-LDYMZIIASA-N 0 0 344.799 2.542 10 5 EFBERN CC(C)(C)Oc1ccccc1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001294064290 1322402284 /nfs/dbraw/zinc/40/22/84/1322402284.db2.gz JPTLYYSBYROLBC-UHFFFAOYSA-N 0 0 344.371 2.679 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cnc([C@H](C)O)s2)cc1[N+](=O)[O-] ZINC001294093908 1322407467 /nfs/dbraw/zinc/40/74/67/1322407467.db2.gz FCCQNMJVPBRIQR-ZJUUUORDSA-N 0 0 335.385 2.904 10 5 EFBERN O=C(Nc1ccc(OCC(F)F)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001294317298 1322453416 /nfs/dbraw/zinc/45/34/16/1322453416.db2.gz LUUFSOWQYVERLS-UHFFFAOYSA-N 0 0 346.677 2.868 10 5 EFBERN CNc1nccc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001294431760 1322481441 /nfs/dbraw/zinc/48/14/41/1322481441.db2.gz OKJSWDIBJIYPJJ-JTQLQIEISA-N 0 0 334.401 2.796 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(C(C)(C)C)ccc3C2)n1 ZINC001319894985 1329029572 /nfs/dbraw/zinc/02/95/72/1329029572.db2.gz IZWWYIWSSPFDMS-UHFFFAOYSA-N 0 0 342.399 2.824 10 5 EFBERN Cc1c(N)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1F ZINC001294550382 1322511477 /nfs/dbraw/zinc/51/14/77/1322511477.db2.gz OCMPFMWGOOTADU-UHFFFAOYSA-N 0 0 329.331 2.823 10 5 EFBERN O=C(NCc1ccc(O)c(F)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001294866404 1322586040 /nfs/dbraw/zinc/58/60/40/1322586040.db2.gz BMNHWQGLDNKWRT-UONOGXRCSA-N 0 0 330.315 2.859 10 5 EFBERN CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2N)Cc2ccccc2C1 ZINC001295072330 1322629509 /nfs/dbraw/zinc/62/95/09/1322629509.db2.gz NSMRTBCHNXXEDO-UHFFFAOYSA-N 0 0 325.368 2.712 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2ccnc(-n3cncn3)c2)c(Cl)c1 ZINC001307184192 1322633399 /nfs/dbraw/zinc/63/33/99/1322633399.db2.gz IATDEDDPLZIESY-UHFFFAOYSA-N 0 0 330.735 2.836 10 5 EFBERN COC(=O)CC(C)(C)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001295443923 1322702077 /nfs/dbraw/zinc/70/20/77/1322702077.db2.gz GVEGZUSXECRMHT-UHFFFAOYSA-N 0 0 342.779 2.591 10 5 EFBERN CC(=O)Nc1ncccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001295467633 1322706490 /nfs/dbraw/zinc/70/64/90/1322706490.db2.gz GUVUZAMJAUWJNU-ZIAGYGMSSA-N 0 0 340.339 2.690 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC001295731736 1322762947 /nfs/dbraw/zinc/76/29/47/1322762947.db2.gz WVEVOJWGOCCOOX-HOCLYGCPSA-N 0 0 345.399 2.945 10 5 EFBERN CC(C)(C)[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC001295731728 1322762956 /nfs/dbraw/zinc/76/29/56/1322762956.db2.gz WVEVOJWGOCCOOX-GDBMZVCRSA-N 0 0 345.399 2.945 10 5 EFBERN O=C(N[C@H](CO)[C@@H]1CCOC1)c1cc2ccccc2c2cccnc12 ZINC001295800131 1322782465 /nfs/dbraw/zinc/78/24/65/1322782465.db2.gz RQMIOPAKEMYFGL-RDTXWAMCSA-N 0 0 336.391 2.515 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1c2nc[nH]c2ccc1F ZINC001295918685 1322805425 /nfs/dbraw/zinc/80/54/25/1322805425.db2.gz NKHOMSQNYQXQGG-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN CC(C)c1nnc([C@@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC001295997888 1322837203 /nfs/dbraw/zinc/83/72/03/1322837203.db2.gz ATXNFHJRJVEQHT-MRVPVSSYSA-N 0 0 337.767 2.981 10 5 EFBERN C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001296192691 1322864203 /nfs/dbraw/zinc/86/42/03/1322864203.db2.gz HZWHUVKWUBAQED-ZDUSSCGKSA-N 0 0 347.415 2.800 10 5 EFBERN Cc1cc(C(=O)N(C)CCN(C)Cc2ccccc2[N+](=O)[O-])co1 ZINC001319990700 1329050997 /nfs/dbraw/zinc/05/09/97/1329050997.db2.gz AMQAYXUKYQZAGC-UHFFFAOYSA-N 0 0 331.372 2.700 10 5 EFBERN Cc1ccc(C[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001296431112 1322912899 /nfs/dbraw/zinc/91/28/99/1322912899.db2.gz JTPHBUJDNFFZGG-AWEZNQCLSA-N 0 0 346.358 2.684 10 5 EFBERN CC[C@@]1(CO)CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001296636549 1322958905 /nfs/dbraw/zinc/95/89/05/1322958905.db2.gz XTIKGFCWUMTCLP-HNNXBMFYSA-N 0 0 326.780 2.554 10 5 EFBERN CC[C@]1(CO)CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001296636550 1322960010 /nfs/dbraw/zinc/96/00/10/1322960010.db2.gz XTIKGFCWUMTCLP-OAHLLOKOSA-N 0 0 326.780 2.554 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1noc2c1COCC2 ZINC001307215047 1322969652 /nfs/dbraw/zinc/96/96/52/1322969652.db2.gz DRPJPOFKSZQGNO-UHFFFAOYSA-N 0 0 326.312 2.816 10 5 EFBERN CCc1onc(C)c1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001307215643 1322980045 /nfs/dbraw/zinc/98/00/45/1322980045.db2.gz KHOHNFSIQSWUGF-UHFFFAOYSA-N 0 0 330.344 2.950 10 5 EFBERN CSc1ccccc1[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001297008510 1323070138 /nfs/dbraw/zinc/07/01/38/1323070138.db2.gz YJFWMLXABHXFRH-VIFPVBQESA-N 0 0 332.385 2.785 10 5 EFBERN CC(C)(C)OC(=O)NC1CC2(C1)CC(Nc1ncc([N+](=O)[O-])cn1)C2 ZINC001307233603 1323285725 /nfs/dbraw/zinc/28/57/25/1323285725.db2.gz FNFHVURXPSEXEM-UHFFFAOYSA-N 0 0 349.391 2.633 10 5 EFBERN Cc1noc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001297638360 1323306155 /nfs/dbraw/zinc/30/61/55/1323306155.db2.gz QDYUVGVFTOPKSW-ZNMIVQPWSA-N 0 0 342.355 2.753 10 5 EFBERN COc1cccc(O)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001297645582 1323307789 /nfs/dbraw/zinc/30/77/89/1323307789.db2.gz KEAVAZZDWZGFJQ-UHFFFAOYSA-N 0 0 330.340 2.624 10 5 EFBERN CSc1cccc(F)c1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001297669832 1323313678 /nfs/dbraw/zinc/31/36/78/1323313678.db2.gz BWPLMDATUVQEJD-UHFFFAOYSA-N 0 0 335.360 2.968 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nccc2ccccc21 ZINC001297844346 1323357485 /nfs/dbraw/zinc/35/74/85/1323357485.db2.gz CBYUYCCPPLGZCL-UHFFFAOYSA-N 0 0 325.328 2.677 10 5 EFBERN O=C(NC1CC(=O)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001298359021 1323502402 /nfs/dbraw/zinc/50/24/02/1323502402.db2.gz DDVKXVZFGGPNNH-UHFFFAOYSA-N 0 0 339.351 2.668 10 5 EFBERN C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001298565032 1323566240 /nfs/dbraw/zinc/56/62/40/1323566240.db2.gz MXGFSSMKBIKXBW-ADLMAVQZSA-N 0 0 343.383 2.611 10 5 EFBERN NC(=O)Nc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ccc1F ZINC001298635476 1323579616 /nfs/dbraw/zinc/57/96/16/1323579616.db2.gz NCVVYHDXDWHKJW-UHFFFAOYSA-N 0 0 336.254 2.616 10 5 EFBERN C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001298792360 1323609521 /nfs/dbraw/zinc/60/95/21/1323609521.db2.gz PKUNTTOLYSQJPA-SECBINFHSA-N 0 0 334.763 2.849 10 5 EFBERN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001298830992 1323617964 /nfs/dbraw/zinc/61/79/64/1323617964.db2.gz IPJVEWQGTJQTQD-QLJPJBMISA-N 0 0 330.315 2.915 10 5 EFBERN Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c(C(N)=O)c1 ZINC001299850085 1323709333 /nfs/dbraw/zinc/70/93/33/1323709333.db2.gz WAKUECVIIIVLBY-UHFFFAOYSA-N 0 0 338.323 2.736 10 5 EFBERN COc1ccc(C(=O)N[C@H](CCO)c2ccccc2F)cc1[N+](=O)[O-] ZINC001299854545 1323709469 /nfs/dbraw/zinc/70/94/69/1323709469.db2.gz DAEJYIADSRMPDC-CQSZACIVSA-N 0 0 348.330 2.596 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ncn2ccc(C)cc12 ZINC001299862242 1323710705 /nfs/dbraw/zinc/71/07/05/1323710705.db2.gz HRAYLOZCCGNSKY-UHFFFAOYSA-N 0 0 325.328 2.845 10 5 EFBERN Cc1nc2c(cccc2C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)[nH]1 ZINC001299933160 1323713549 /nfs/dbraw/zinc/71/35/49/1323713549.db2.gz KTPWBGHHMMCTFP-UHFFFAOYSA-N 0 0 346.293 2.988 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1c[nH]nc1Br ZINC001299955399 1323713850 /nfs/dbraw/zinc/71/38/50/1323713850.db2.gz FHIJCMQDBQYBHW-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)c1ccc(F)cc1F ZINC001301271697 1324532708 /nfs/dbraw/zinc/53/27/08/1324532708.db2.gz FVGOIUSOQBTFSQ-ZDUSSCGKSA-N 0 0 336.294 2.645 10 5 EFBERN COCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 ZINC001301629944 1324553091 /nfs/dbraw/zinc/55/30/91/1324553091.db2.gz WLZYLEDVGUBINF-UHFFFAOYSA-N 0 0 343.387 2.656 10 5 EFBERN COCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@H]1C[C@@H]1C ZINC001301683716 1324556106 /nfs/dbraw/zinc/55/61/06/1324556106.db2.gz FWEDPKWYRMLAHJ-FZMZJTMJSA-N 0 0 331.376 2.517 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(CC2CC2)[nH]n1 ZINC001302770194 1324586202 /nfs/dbraw/zinc/58/62/02/1324586202.db2.gz IZMAYSQHZDNTFI-UHFFFAOYSA-N 0 0 342.355 2.872 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(O)cc1O ZINC001303181789 1324596217 /nfs/dbraw/zinc/59/62/17/1324596217.db2.gz VAHJQWXHTRDSKY-UHFFFAOYSA-N 0 0 327.296 2.669 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001303288399 1324600682 /nfs/dbraw/zinc/60/06/82/1324600682.db2.gz WZOKDPTVYBIPDA-HUBLWGQQSA-N 0 0 338.791 2.865 10 5 EFBERN COc1ccc(CCNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1O ZINC001303289544 1324601030 /nfs/dbraw/zinc/60/10/30/1324601030.db2.gz CYQKLZUXEQIDOU-UHFFFAOYSA-N 0 0 348.330 2.729 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2ccc3c(n2)CCCC3)c1[N+](=O)[O-] ZINC001303331990 1324603402 /nfs/dbraw/zinc/60/34/02/1324603402.db2.gz PORGUMGGPFHGGR-UHFFFAOYSA-N 0 0 329.360 2.797 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(OCc2ccccc2)nc1 ZINC001303573810 1324613098 /nfs/dbraw/zinc/61/30/98/1324613098.db2.gz XSIDCAYECWIYKZ-UHFFFAOYSA-N 0 0 339.311 2.544 10 5 EFBERN Nc1c(C(=O)N=[S@@]2(=O)CCc3ccccc32)cc(F)cc1[N+](=O)[O-] ZINC001303913587 1324625795 /nfs/dbraw/zinc/62/57/95/1324625795.db2.gz OJZLFDWLQCJIEK-XMMPIXPASA-N 0 0 349.343 2.540 10 5 EFBERN CCc1nc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001303972796 1324629190 /nfs/dbraw/zinc/62/91/90/1324629190.db2.gz MAPKIHJTYNLWKX-JTQLQIEISA-N 0 0 334.401 2.677 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](c2ncccn2)C1 ZINC001304035379 1324633057 /nfs/dbraw/zinc/63/30/57/1324633057.db2.gz HPGMLLQZROZYLA-JTQLQIEISA-N 0 0 332.747 2.668 10 5 EFBERN Nc1ccc(C(=O)Nc2ccnc(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC001304176638 1324643888 /nfs/dbraw/zinc/64/38/88/1324643888.db2.gz QXIBKTSDMRWFCV-UHFFFAOYSA-N 0 0 341.371 2.815 10 5 EFBERN CC[C@](O)(CCC(F)(F)F)CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001304201436 1324644935 /nfs/dbraw/zinc/64/49/35/1324644935.db2.gz BYPMNSLJUCNTBD-ZDUSSCGKSA-N 0 0 349.309 2.512 10 5 EFBERN Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)c(N)c1[N+](=O)[O-] ZINC001304490566 1324651071 /nfs/dbraw/zinc/65/10/71/1324651071.db2.gz OVOPIIXANJOXLQ-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000845768398 1324652260 /nfs/dbraw/zinc/65/22/60/1324652260.db2.gz LYPMIBAHBOHKGM-CYBMUJFWSA-N 0 0 343.286 2.539 10 5 EFBERN Cc1ccc(NC(=O)c2ccc3c(c2)CCOC3)c(N)c1[N+](=O)[O-] ZINC001304499117 1324652317 /nfs/dbraw/zinc/65/23/17/1324652317.db2.gz VVYOLDZOGVAYSJ-UHFFFAOYSA-N 0 0 327.340 2.810 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC001304651072 1324657917 /nfs/dbraw/zinc/65/79/17/1324657917.db2.gz QLUPQSVZHXZROI-SUMWQHHRSA-N 0 0 349.456 2.998 10 5 EFBERN CSCC(C)(C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001304650576 1324658527 /nfs/dbraw/zinc/65/85/27/1324658527.db2.gz POGBBNGUJLZQPT-UHFFFAOYSA-N 0 0 334.401 2.856 10 5 EFBERN NC(=O)CC1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC001304852590 1324666650 /nfs/dbraw/zinc/66/66/50/1324666650.db2.gz IFNPGHFHSOOJOZ-UHFFFAOYSA-N 0 0 339.779 2.556 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001304958095 1324669477 /nfs/dbraw/zinc/66/94/77/1324669477.db2.gz XUPFHDZDODKFJY-GIPNMCIBSA-N 0 0 335.335 2.611 10 5 EFBERN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2c1 ZINC001305275885 1324679561 /nfs/dbraw/zinc/67/95/61/1324679561.db2.gz VCIQBJMCHXHUDP-UHFFFAOYSA-N 0 0 338.367 2.939 10 5 EFBERN Cc1cc(NC(=O)C[C@@H](NC(N)=O)c2cccs2)cc([N+](=O)[O-])c1 ZINC001305601390 1324687266 /nfs/dbraw/zinc/68/72/66/1324687266.db2.gz NMBKBZUBILRQKI-GFCCVEGCSA-N 0 0 348.384 2.703 10 5 EFBERN COC(=O)/C=C\[C@@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001305796484 1324690726 /nfs/dbraw/zinc/69/07/26/1324690726.db2.gz CPJRQNHVGCZQHK-DHHDDZJSSA-N 0 0 334.372 2.740 10 5 EFBERN Cc1cc(C(=O)N(C)C[C@]23CCC[C@H]2OCC3)c(N)c([N+](=O)[O-])c1 ZINC001305847724 1324691594 /nfs/dbraw/zinc/69/15/94/1324691594.db2.gz WKDVSLNRZWEDLG-RHSMWYFYSA-N 0 0 333.388 2.517 10 5 EFBERN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001306040279 1324697096 /nfs/dbraw/zinc/69/70/96/1324697096.db2.gz BPAQBCBMUGLPOB-NXEZZACHSA-N 0 0 343.305 2.990 10 5 EFBERN O=C(NCc1nccn1C(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001306434755 1324709336 /nfs/dbraw/zinc/70/93/36/1324709336.db2.gz HKIMGYIGSUWJNC-UHFFFAOYSA-N 0 0 330.678 2.770 10 5 EFBERN COC(=O)c1ccnc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001306585544 1324714775 /nfs/dbraw/zinc/71/47/75/1324714775.db2.gz LGVJRLQDSWMBOH-UONOGXRCSA-N 0 0 341.323 2.519 10 5 EFBERN O=C(NC[C@@H](CO)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001306673523 1324717699 /nfs/dbraw/zinc/71/76/99/1324717699.db2.gz WYDRFYXABDEQIK-ZDUSSCGKSA-N 0 0 334.759 2.754 10 5 EFBERN O=C(CCc1ccc(=O)[nH]c1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001306863210 1324726239 /nfs/dbraw/zinc/72/62/39/1324726239.db2.gz VQFMROSXDPSJGR-UHFFFAOYSA-N 0 0 338.323 2.815 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001306945701 1324734473 /nfs/dbraw/zinc/73/44/73/1324734473.db2.gz HSCXPARNDSMUDV-LLVKDONJSA-N 0 0 339.396 2.530 10 5 EFBERN CCCOC(=O)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001306961295 1324735489 /nfs/dbraw/zinc/73/54/89/1324735489.db2.gz XIVFJIHJSXGPHY-FNORWQNLSA-N 0 0 336.344 2.536 10 5 EFBERN C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001306992390 1324736952 /nfs/dbraw/zinc/73/69/52/1324736952.db2.gz ZQJFSKULMCSORT-MEDUHNTESA-N 0 0 329.356 2.618 10 5 EFBERN CCc1c[nH]c(Sc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])n1 ZINC001306998107 1324737376 /nfs/dbraw/zinc/73/73/76/1324737376.db2.gz IYQQCFNHFYPMDN-UHFFFAOYSA-N 0 0 330.369 2.883 10 5 EFBERN Cc1nc(NC[C@H](O)c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC001307085708 1324740273 /nfs/dbraw/zinc/74/02/73/1324740273.db2.gz GXIPFEPADCKEQF-LBPRGKRZSA-N 0 0 326.715 2.631 10 5 EFBERN CCC(O)(CC)CCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001307094298 1324740871 /nfs/dbraw/zinc/74/08/71/1324740871.db2.gz LZQDCYSHBLMWDU-UHFFFAOYSA-N 0 0 333.388 2.927 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N(C)Cc3ccc(N)nc3)c2c1 ZINC001307089238 1324741472 /nfs/dbraw/zinc/74/14/72/1324741472.db2.gz QETQBOHZZJAPCB-UHFFFAOYSA-N 0 0 339.355 2.765 10 5 EFBERN Cc1nccn1-c1ccccc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001307101018 1324741601 /nfs/dbraw/zinc/74/16/01/1324741601.db2.gz YXIJSCVNADVTIE-UHFFFAOYSA-N 0 0 325.328 2.802 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC([C@@H]4CCOC4)C3)c2c1 ZINC001307110850 1324742281 /nfs/dbraw/zinc/74/22/81/1324742281.db2.gz VIJDDYAIOUVKMS-SNVBAGLBSA-N 0 0 344.327 2.524 10 5 EFBERN O=c1cncc(Cl)n1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001307125417 1324743298 /nfs/dbraw/zinc/74/32/98/1324743298.db2.gz PZWNHEGWOADOGX-UHFFFAOYSA-N 0 0 346.705 2.995 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](O)Cc1cccc(F)c1 ZINC001307129266 1324744207 /nfs/dbraw/zinc/74/42/07/1324744207.db2.gz XUXVXTVBNNZQQL-AWEZNQCLSA-N 0 0 341.342 2.720 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)Cc1cccc(F)c1 ZINC001307128586 1324744328 /nfs/dbraw/zinc/74/43/28/1324744328.db2.gz LOAGEJKNLRHVAO-GFCCVEGCSA-N 0 0 325.727 2.798 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3ccc(C)cn3)c2c1 ZINC001307134998 1324744337 /nfs/dbraw/zinc/74/43/37/1324744337.db2.gz HSFPSYFYJKRBMS-UHFFFAOYSA-N 0 0 338.367 2.932 10 5 EFBERN COc1cc(NCCCNc2ccc([N+](=O)[O-])cc2Cl)ncn1 ZINC001307148786 1324744561 /nfs/dbraw/zinc/74/45/61/1324744561.db2.gz LELIASJBADRWKV-UHFFFAOYSA-N 0 0 337.767 2.961 10 5 EFBERN CO[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])CC(C)C ZINC001307146338 1324744662 /nfs/dbraw/zinc/74/46/62/1324744662.db2.gz QJLQUVVDDYDXMI-GFCCVEGCSA-N 0 0 348.359 2.946 10 5 EFBERN O=[N+]([O-])c1c(NCCOc2cncc(Cl)c2)nc2sccn21 ZINC001307149003 1324744860 /nfs/dbraw/zinc/74/48/60/1324744860.db2.gz SYYFSOWJHQUGSD-UHFFFAOYSA-N 0 0 339.764 2.843 10 5 EFBERN CC[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC001307151309 1324745622 /nfs/dbraw/zinc/74/56/22/1324745622.db2.gz SNVACRWWVLDXIO-MRVPVSSYSA-N 0 0 331.166 2.968 10 5 EFBERN CC[C@H]1c2ccc(OC)c(OC)c2CCN1c1c([N+](=O)[O-])ncn1C ZINC001307157901 1324745916 /nfs/dbraw/zinc/74/59/16/1324745916.db2.gz IPDYLFNWLKYSPH-ZDUSSCGKSA-N 0 0 346.387 2.859 10 5 EFBERN CCc1cc(NCc2conc2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307183219 1324747669 /nfs/dbraw/zinc/74/76/69/1324747669.db2.gz XRSNJBZEYYQOEA-UHFFFAOYSA-N 0 0 339.355 2.945 10 5 EFBERN Cc1c(Cl)cccc1Oc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001307183532 1324747820 /nfs/dbraw/zinc/74/78/20/1324747820.db2.gz VQRKENWFTINXHF-UHFFFAOYSA-N 0 0 342.760 2.996 10 5 EFBERN CN1C(=O)c2ccccc2[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC001307186637 1324748589 /nfs/dbraw/zinc/74/85/89/1324748589.db2.gz YEGOBOPPXLZXSQ-INIZCTEOSA-N 0 0 348.362 2.804 10 5 EFBERN COc1cncc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC001307187737 1324748657 /nfs/dbraw/zinc/74/86/57/1324748657.db2.gz OPQLGCLKVUCZOO-UHFFFAOYSA-N 0 0 348.790 2.978 10 5 EFBERN Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001307213762 1324751070 /nfs/dbraw/zinc/75/10/70/1324751070.db2.gz LFBFDBCHPAZXKS-ZYHUDNBSSA-N 0 0 336.392 2.966 10 5 EFBERN C[C@@H]1C[C@@]2(CC[C@H](CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])O2)CO1 ZINC001307212482 1324751131 /nfs/dbraw/zinc/75/11/31/1324751131.db2.gz XEDDLPBMWDOBCU-HCKVZZMMSA-N 0 0 337.332 2.642 10 5 EFBERN NC(=O)c1cc(NC[C@@]2(c3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC001307217358 1324751573 /nfs/dbraw/zinc/75/15/73/1324751573.db2.gz ZZXWGLDYHOECID-GOSISDBHSA-N 0 0 341.367 2.812 10 5 EFBERN COC1(C(F)(F)F)CN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001307217394 1324751628 /nfs/dbraw/zinc/75/16/28/1324751628.db2.gz KECQOFMEGKZZRX-UHFFFAOYSA-N 0 0 327.262 2.911 10 5 EFBERN CC(C)Oc1nc(N2CC[C@@H](c3ncccn3)C2)ccc1[N+](=O)[O-] ZINC001307216464 1324751656 /nfs/dbraw/zinc/75/16/56/1324751656.db2.gz UVJSEIWXPASEGV-GFCCVEGCSA-N 0 0 329.360 2.561 10 5 EFBERN O=C1CN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)CN1 ZINC001307218024 1324752007 /nfs/dbraw/zinc/75/20/07/1324752007.db2.gz OQGVEKZIECHQDG-AWEZNQCLSA-N 0 0 333.294 2.551 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[C@@H](NC1CC1)C(F)(F)F ZINC001307228506 1324752751 /nfs/dbraw/zinc/75/27/51/1324752751.db2.gz HUBXXHRRGLIDRQ-LLVKDONJSA-N 0 0 348.281 2.988 10 5 EFBERN O=[N+]([O-])c1cc(F)c(NCC2(OCCO)CCCCC2)c(F)c1 ZINC001307223946 1324752756 /nfs/dbraw/zinc/75/27/56/1324752756.db2.gz BKSIVUMRCGOMLY-UHFFFAOYSA-N 0 0 330.331 2.997 10 5 EFBERN Cn1cc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC001307292361 1324757346 /nfs/dbraw/zinc/75/73/46/1324757346.db2.gz HNVAVTNFXSRQID-UHFFFAOYSA-N 0 0 346.221 2.834 10 5 EFBERN O=[N+]([O-])c1nn(Cc2cnc(Cl)c(F)c2)cc1Br ZINC001307295598 1324757549 /nfs/dbraw/zinc/75/75/49/1324757549.db2.gz RPURSPUDYIRZCX-UHFFFAOYSA-N 0 0 335.520 2.790 10 5 EFBERN COc1ccc(Cn2cccc([N+](=O)[O-])c2=O)c(Br)c1 ZINC001307299013 1324757438 /nfs/dbraw/zinc/75/74/38/1324757438.db2.gz PVRVYYILSRFVDJ-UHFFFAOYSA-N 0 0 339.145 2.576 10 5 EFBERN COC(=O)c1cc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)ccc1C ZINC001307310491 1324757947 /nfs/dbraw/zinc/75/79/47/1324757947.db2.gz UCYHRRXRYCOOJT-UHFFFAOYSA-N 0 0 340.339 2.791 10 5 EFBERN Cc1nn(CC(=O)Nc2ccc(C)cc2C)c2ncc([N+](=O)[O-])cc12 ZINC001307309380 1324758513 /nfs/dbraw/zinc/75/85/13/1324758513.db2.gz CYUMTPICDSWYAU-UHFFFAOYSA-N 0 0 339.355 2.903 10 5 EFBERN Cc1nn(C[C@H]2CCC[C@]3(CCOC3)O2)c2ccc([N+](=O)[O-])cc12 ZINC001307318294 1324758891 /nfs/dbraw/zinc/75/88/91/1324758891.db2.gz CBHFJSLDZGSYDT-RHSMWYFYSA-N 0 0 331.372 2.981 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1COc1cccc[n+]1[O-] ZINC001307319696 1324759245 /nfs/dbraw/zinc/75/92/45/1324759245.db2.gz LNZAFAHWOQLYEN-UHFFFAOYSA-N 0 0 325.118 2.570 10 5 EFBERN CS(=O)(=O)c1ccccc1OCc1ccc(F)cc1[N+](=O)[O-] ZINC001307342640 1324761175 /nfs/dbraw/zinc/76/11/75/1324761175.db2.gz YOPCNWMZWRLCET-UHFFFAOYSA-N 0 0 325.317 2.716 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1Cn1ccnc1[C@@H](O)c1cccs1 ZINC001307355166 1324761975 /nfs/dbraw/zinc/76/19/75/1324761975.db2.gz WVRBVZYZMFSTNB-HNNXBMFYSA-N 0 0 345.380 2.991 10 5 EFBERN O=C(COc1cc([N+](=O)[O-])c(F)cc1F)NCc1ccc(F)cc1 ZINC001307354787 1324762217 /nfs/dbraw/zinc/76/22/17/1324762217.db2.gz NPSVIFWPCWKILC-UHFFFAOYSA-N 0 0 340.257 2.707 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2nnc(-c3ccco3)n2)c1 ZINC001307350741 1324762326 /nfs/dbraw/zinc/76/23/26/1324762326.db2.gz VXFLCQGPUQHSDK-UHFFFAOYSA-N 0 0 339.233 2.908 10 5 EFBERN O=[N+]([O-])c1cc(Cn2cnc3nccnc32)ccc1Br ZINC001307385059 1324765985 /nfs/dbraw/zinc/76/59/85/1324765985.db2.gz HELWARGDBNYWLH-UHFFFAOYSA-N 0 0 334.133 2.545 10 5 EFBERN CCc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC001307391449 1324766650 /nfs/dbraw/zinc/76/66/50/1324766650.db2.gz UMWCLOXLHVUSPN-ZETCQYMHSA-N 0 0 340.336 2.799 10 5 EFBERN CC(C)(C)n1cc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)nn1 ZINC001307409120 1324767813 /nfs/dbraw/zinc/76/78/13/1324767813.db2.gz YFYHZXKUZFARDG-UHFFFAOYSA-N 0 0 326.360 2.853 10 5 EFBERN CC(C)(C)OC(=O)N1CCN(CC[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001307825574 1324781513 /nfs/dbraw/zinc/78/15/13/1324781513.db2.gz MPBLQOQZBLBHQM-OAHLLOKOSA-N 0 0 335.404 2.557 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ncccn2)c([N+](=O)[O-])c1 ZINC001307948385 1324786160 /nfs/dbraw/zinc/78/61/60/1324786160.db2.gz ZIBSWJKDKWTOJH-ZDUSSCGKSA-N 0 0 329.316 2.630 10 5 EFBERN CCOC(=O)[C@@H](Cc1ccccc1)NCc1c(F)cccc1[N+](=O)[O-] ZINC001307983723 1324787778 /nfs/dbraw/zinc/78/77/78/1324787778.db2.gz VABPRAUAPVPTDL-MRXNPFEDSA-N 0 0 346.358 2.998 10 5 EFBERN C[C@@](CO)(NCc1cc(F)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001308000233 1324788569 /nfs/dbraw/zinc/78/85/69/1324788569.db2.gz SDCNCJBTRZOVPN-INIZCTEOSA-N 0 0 349.318 2.639 10 5 EFBERN COc1cnc([C@@H]2CCCN2Cc2ccc(C)c([N+](=O)[O-])c2)[nH]c1=O ZINC001308140387 1324796047 /nfs/dbraw/zinc/79/60/47/1324796047.db2.gz KMCMDNSSJITHQA-ZDUSSCGKSA-N 0 0 344.371 2.745 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC(F)(F)CC[C@@H]1C ZINC001308153981 1324797112 /nfs/dbraw/zinc/79/71/12/1324797112.db2.gz LXMAPNHUXQWVPH-NSHDSACASA-N 0 0 327.331 2.961 10 5 EFBERN C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1cnccn1 ZINC001308175403 1324798383 /nfs/dbraw/zinc/79/83/83/1324798383.db2.gz ZACIHKHAWDYHCT-GFCCVEGCSA-N 0 0 347.806 2.749 10 5 EFBERN CCOC(=O)[C@H]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001312433109 1324986094 /nfs/dbraw/zinc/98/60/94/1324986094.db2.gz MIGWEHBHAMVWCM-ZFWWWQNUSA-N 0 0 349.387 2.641 10 5 EFBERN CCCc1ncc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001312691147 1324992088 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CCCC1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC001323450807 1329544465 /nfs/dbraw/zinc/54/44/65/1329544465.db2.gz GNEFWYOIURYFOL-UHFFFAOYSA-N 0 0 334.372 2.825 10 5 EFBERN O=C(NCC1(NCc2csc([N+](=O)[O-])c2)CC1)C(C1CC1)C1CC1 ZINC001323592808 1329553469 /nfs/dbraw/zinc/55/34/69/1329553469.db2.gz WMESMACRJGAOQT-UHFFFAOYSA-N 0 0 349.456 2.831 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1-c1nnc(Cc2ccccn2)o1 ZINC001324191701 1329606883 /nfs/dbraw/zinc/60/68/83/1329606883.db2.gz FOZQTPIKNDKEOF-UHFFFAOYSA-N 0 0 325.328 2.697 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCc1nnc(CCCc2cccs2)o1 ZINC001324203861 1329607798 /nfs/dbraw/zinc/60/77/98/1329607798.db2.gz FGOSAYJHDIAMHX-UHFFFAOYSA-N 0 0 347.400 2.962 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC001324625420 1329645974 /nfs/dbraw/zinc/64/59/74/1329645974.db2.gz JEIDVJWTWBFAAF-LRDDRELGSA-N 0 0 335.404 2.818 10 5 EFBERN CO[C@@H]1CC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001324918422 1329659403 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2.951 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1CCC[C@H](F)C1 ZINC001326184413 1329736804 /nfs/dbraw/zinc/73/68/04/1329736804.db2.gz OYKAOZZFJMKVFV-RYUDHWBXSA-N 0 0 338.335 2.913 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001326184411 1329736982 /nfs/dbraw/zinc/73/69/82/1329736982.db2.gz OYKAOZZFJMKVFV-NEPJUHHUSA-N 0 0 338.335 2.913 10 5 EFBERN CN(Cc1ccc(C(N)=O)cc1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001326269539 1329743067 /nfs/dbraw/zinc/74/30/67/1329743067.db2.gz HRHVVNNOBVDYJM-UHFFFAOYSA-N 0 0 340.383 2.604 10 5 EFBERN O=C([C@@H]1CCC[C@H](F)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001326615588 1330328380 /nfs/dbraw/zinc/32/83/80/1330328380.db2.gz QHWITNTXBRJLBN-KGLIPLIRSA-N 0 0 335.379 2.772 10 5 EFBERN O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1(CCF)CC1 ZINC001326859381 1330375061 /nfs/dbraw/zinc/37/50/61/1330375061.db2.gz JWSNXRRIFJACMS-UHFFFAOYSA-N 0 0 349.406 2.863 10 5 EFBERN 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347.258 2.842 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C ZINC001354399686 1334276699 /nfs/dbraw/zinc/27/66/99/1334276699.db2.gz DCRAOWQDYMLQDS-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1F ZINC001354445632 1334306134 /nfs/dbraw/zinc/30/61/34/1334306134.db2.gz JKCSVEDTBOGVAS-UHFFFAOYSA-N 0 0 349.343 2.807 10 5 EFBERN C/C(=C/C(=O)N1CCC[C@H]1c1ncon1)c1ccc([N+](=O)[O-])cc1 ZINC000848113241 1334313779 /nfs/dbraw/zinc/31/37/79/1334313779.db2.gz HHTDVAWHCJKYMU-FPAJZGIOSA-N 0 0 328.328 2.745 10 5 EFBERN Cc1ncccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001354478316 1334323118 /nfs/dbraw/zinc/32/31/18/1334323118.db2.gz SUZRTRCQLOGXIN-UHFFFAOYSA-N 0 0 329.312 2.712 10 5 EFBERN CC(=O)Nc1ccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC001354615849 1334415134 /nfs/dbraw/zinc/41/51/34/1334415134.db2.gz QZYMXLQTYYPDFC-SNVBAGLBSA-N 0 0 329.312 2.866 10 5 EFBERN COC(=O)/C=C\c1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001354623397 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336.351 2.897 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2C(N)=O)c1C ZINC001354762215 1334498233 /nfs/dbraw/zinc/49/82/33/1334498233.db2.gz QRSFSOBWIWSJKY-UHFFFAOYSA-N 0 0 327.340 2.871 10 5 EFBERN CNC(=O)c1ccc(N[C@@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC001472835830 1334501296 /nfs/dbraw/zinc/50/12/96/1334501296.db2.gz MRNTWFGOZMVFNI-ZDUSSCGKSA-N 0 0 345.330 2.509 10 5 EFBERN C/C(=C/C(=O)N[C@@H](C1CC1)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000848246929 1334507214 /nfs/dbraw/zinc/50/72/14/1334507214.db2.gz CKEPPJPRJYWMRP-LUJNMSEFSA-N 0 0 332.400 2.911 10 5 EFBERN CNC(=O)Nc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)c1 ZINC001354884515 1334572691 /nfs/dbraw/zinc/57/26/91/1334572691.db2.gz WYFDNQQHVGECSH-UHFFFAOYSA-N 0 0 329.312 2.874 10 5 EFBERN CCOC(=O)c1nc[nH]c1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001472887926 1334599274 /nfs/dbraw/zinc/59/92/74/1334599274.db2.gz UDQXYJQUFJRCIQ-UHFFFAOYSA-N 0 0 341.327 2.655 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC001472901158 1334612610 /nfs/dbraw/zinc/61/26/10/1334612610.db2.gz AJKPPYBHJUZFLZ-ZDUSSCGKSA-N 0 0 339.254 2.927 10 5 EFBERN Cc1nn(C)c(C)c1[C@H](O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001472901504 1334615520 /nfs/dbraw/zinc/61/55/20/1334615520.db2.gz OMTIKPUWRVJJBQ-OAHLLOKOSA-N 0 0 341.371 2.639 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001355020554 1334657423 /nfs/dbraw/zinc/65/74/23/1334657423.db2.gz CBPFETHPCIVRMV-JKSUJKDBSA-N 0 0 341.323 2.923 10 5 EFBERN Cc1nn(C)c(Cl)c1CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001472940809 1334678677 /nfs/dbraw/zinc/67/86/77/1334678677.db2.gz KJDYCDATTPYLTA-UHFFFAOYSA-N 0 0 343.792 2.572 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCCOC(F)(F)F ZINC001472940747 1334678979 /nfs/dbraw/zinc/67/89/79/1334678979.db2.gz JHKXTKQCHIKMME-UHFFFAOYSA-N 0 0 327.280 2.603 10 5 EFBERN C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000848346672 1334679506 /nfs/dbraw/zinc/67/95/06/1334679506.db2.gz HASVOYPCWCQPQY-IINYFYTJSA-N 0 0 342.342 2.958 10 5 EFBERN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001355055516 1334681779 /nfs/dbraw/zinc/68/17/79/1334681779.db2.gz RIZDXVICXUNTND-TXEJJXNPSA-N 0 0 329.360 2.579 10 5 EFBERN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001355119756 1334701490 /nfs/dbraw/zinc/70/14/90/1334701490.db2.gz KTBQGQHLTWCVBU-KBXCAEBGSA-N 0 0 338.319 2.548 10 5 EFBERN CC(C)(CCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O)C1CC1 ZINC000848438845 1334721052 /nfs/dbraw/zinc/72/10/52/1334721052.db2.gz YGKDZMQKSRDQCI-UHFFFAOYSA-N 0 0 338.385 2.566 10 5 EFBERN CCc1ccc(S(=O)(=O)Oc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000848463332 1334729123 /nfs/dbraw/zinc/72/91/23/1334729123.db2.gz SHPQFMCGCYJCNR-UHFFFAOYSA-N 0 0 339.373 2.702 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cnn(C(C)C)c2)cc1C ZINC000848464352 1334729473 /nfs/dbraw/zinc/72/94/73/1334729473.db2.gz ZZUZOXHLUQOODE-UHFFFAOYSA-N 0 0 339.373 2.757 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1scnc1C(F)F ZINC001355316861 1334737972 /nfs/dbraw/zinc/73/79/72/1334737972.db2.gz XNIDRUHWGDKPDI-UHFFFAOYSA-N 0 0 327.312 2.961 10 5 EFBERN C[C@@H]1CN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H](C)S1 ZINC000848480867 1334738662 /nfs/dbraw/zinc/73/86/62/1334738662.db2.gz TUUPPBDNVIMQOO-DVOMOZLQSA-N 0 0 349.456 2.694 10 5 EFBERN CO[C@@H]1CN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC[C@@H]1C ZINC000848485813 1334742068 /nfs/dbraw/zinc/74/20/68/1334742068.db2.gz XOUWCBMRGHJRSY-SUMWQHHRSA-N 0 0 330.388 2.773 10 5 EFBERN C[C@@H]1CN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)[C@@H](C)[C@H](C)O1 ZINC000848485438 1334742305 /nfs/dbraw/zinc/74/23/05/1334742305.db2.gz NJGWMJPABDTWKM-RDBSUJKOSA-N 0 0 330.388 2.914 10 5 EFBERN CNC(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)cc1 ZINC001355328581 1334742395 /nfs/dbraw/zinc/74/23/95/1334742395.db2.gz DQKWDIQDIXCQFW-UHFFFAOYSA-N 0 0 329.312 2.874 10 5 EFBERN CC1=C(C)CN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848486688 1334743602 /nfs/dbraw/zinc/74/36/02/1334743602.db2.gz JINUKUURWZCCHY-KRWDZBQOSA-N 0 0 329.400 2.910 10 5 EFBERN CCc1cnc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)o1 ZINC001355421023 1334777359 /nfs/dbraw/zinc/77/73/59/1334777359.db2.gz UKLJWYGFBSLCIZ-UHFFFAOYSA-N 0 0 345.290 2.722 10 5 EFBERN CC(=O)N(CC(=O)Oc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC001355474168 1334792910 /nfs/dbraw/zinc/79/29/10/1334792910.db2.gz XCIZREMMFUDRKN-UHFFFAOYSA-N 0 0 328.324 2.862 10 5 EFBERN Cc1cccc2c1N(C(=O)c1ccnc(-n3ccc([N+](=O)[O-])n3)c1)CC2 ZINC001355481251 1334794981 /nfs/dbraw/zinc/79/49/81/1334794981.db2.gz REJLDDUPHCFUFX-UHFFFAOYSA-N 0 0 349.350 2.687 10 5 EFBERN CC1(C)CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000848583352 1334806601 /nfs/dbraw/zinc/80/66/01/1334806601.db2.gz BVNPWENPIRRYMP-UHFFFAOYSA-N 0 0 344.314 2.594 10 5 EFBERN COCCC(C)(C)CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848588571 1334808569 /nfs/dbraw/zinc/80/85/69/1334808569.db2.gz VZQFIJVMFUSUBJ-UHFFFAOYSA-N 0 0 346.330 2.745 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)OCc2c(OC)cccc2OC)c1 ZINC001355532078 1334810248 /nfs/dbraw/zinc/81/02/48/1334810248.db2.gz NRVNCEYFTRTEAB-UHFFFAOYSA-N 0 0 347.323 2.978 10 5 EFBERN COC(=O)c1ccc(OC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001355589143 1334823301 /nfs/dbraw/zinc/82/33/01/1334823301.db2.gz JXNJVMJTNYLKBV-UHFFFAOYSA-N 0 0 333.271 2.669 10 5 EFBERN COc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000848645205 1334823685 /nfs/dbraw/zinc/82/36/85/1334823685.db2.gz CHWGODUBHWACGJ-AWEZNQCLSA-N 0 0 347.371 2.931 10 5 EFBERN Cc1ccn2cnc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2c1 ZINC001355592193 1334824420 /nfs/dbraw/zinc/82/44/20/1334824420.db2.gz YZUPHUYBNHIYMS-UHFFFAOYSA-N 0 0 336.351 2.749 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)OCC(C)C)CC1 ZINC000848660415 1334829051 /nfs/dbraw/zinc/82/90/51/1334829051.db2.gz CCORQRAJHJIMRQ-UHFFFAOYSA-N 0 0 337.376 2.518 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000848690364 1334842775 /nfs/dbraw/zinc/84/27/75/1334842775.db2.gz VPFRPMRAKKCWHR-JTQLQIEISA-N 0 0 325.365 2.929 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)CCNC(=O)OC(C)(C)C ZINC000848719669 1334858937 /nfs/dbraw/zinc/85/89/37/1334858937.db2.gz BWNCTGUQUMGRCB-UHFFFAOYSA-N 0 0 325.365 2.564 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848754999 1334877129 /nfs/dbraw/zinc/87/71/29/1334877129.db2.gz WATFSEBFAGSSDZ-UPJWGTAASA-N 0 0 335.404 2.707 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnn2Cc2ccsc2)n1 ZINC001355878217 1334895930 /nfs/dbraw/zinc/89/59/30/1334895930.db2.gz BFXIMVFJYAGOGW-UHFFFAOYSA-N 0 0 343.368 2.857 10 5 EFBERN CNc1nccc(C(=O)O[C@H](C)c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000848789536 1334898976 /nfs/dbraw/zinc/89/89/76/1334898976.db2.gz BGHRSUYACFCSEZ-SNVBAGLBSA-N 0 0 331.328 2.958 10 5 EFBERN CNc1nccc(C(=O)OCc2cc(OC(C)C)ccn2)c1[N+](=O)[O-] ZINC000848790442 1334899444 /nfs/dbraw/zinc/89/94/44/1334899444.db2.gz NPTQXBGYAJGCGH-UHFFFAOYSA-N 0 0 346.343 2.571 10 5 EFBERN CNc1nccc(C(=O)OCc2ccc(COC)cc2)c1[N+](=O)[O-] ZINC000848790432 1334899507 /nfs/dbraw/zinc/89/95/07/1334899507.db2.gz NCMIXMJGTCAYAI-UHFFFAOYSA-N 0 0 331.328 2.535 10 5 EFBERN O=C1O[C@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)CN1C1CC1 ZINC000848794088 1334902564 /nfs/dbraw/zinc/90/25/64/1334902564.db2.gz QSZYPFGIAZHDIK-SNVBAGLBSA-N 0 0 334.357 2.600 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccn(C(C)(C)C)n1 ZINC000848809873 1334914457 /nfs/dbraw/zinc/91/44/57/1334914457.db2.gz QSBZTMVFTHEBIT-UHFFFAOYSA-N 0 0 333.344 2.912 10 5 EFBERN CC(C)(C)n1ccc(C(=O)OCCOc2ccccc2[N+](=O)[O-])n1 ZINC000848810534 1334914579 /nfs/dbraw/zinc/91/45/79/1334914579.db2.gz WUYKVWWUHNSRTJ-UHFFFAOYSA-N 0 0 333.344 2.782 10 5 EFBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccnn1CC(F)(F)F ZINC001355983333 1334924386 /nfs/dbraw/zinc/92/43/86/1334924386.db2.gz AWJKTQBSAMAPEI-UHFFFAOYSA-N 0 0 329.234 2.711 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCOc1ccc(F)cc1 ZINC001356052772 1334942123 /nfs/dbraw/zinc/94/21/23/1334942123.db2.gz MDQIADRBKKFJHV-UHFFFAOYSA-N 0 0 336.294 2.990 10 5 EFBERN CC(=O)c1csc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001356076791 1334948200 /nfs/dbraw/zinc/94/82/00/1334948200.db2.gz VJYFJOABUUJECQ-VXGBXAGGSA-N 0 0 331.353 2.996 10 5 EFBERN Cc1c(OC(=O)c2cc(-n3ccnn3)ccc2F)cccc1[N+](=O)[O-] ZINC001356262009 1335003304 /nfs/dbraw/zinc/00/33/04/1335003304.db2.gz WEPGWHUYRMZGPB-UHFFFAOYSA-N 0 0 342.286 2.842 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccn2)nc1 ZINC001356388992 1335029946 /nfs/dbraw/zinc/02/99/46/1335029946.db2.gz PFUDEPSFDIEMRB-UHFFFAOYSA-N 0 0 334.335 2.982 10 5 EFBERN Cn1cc(-c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)cn1 ZINC001356389466 1335029956 /nfs/dbraw/zinc/02/99/56/1335029956.db2.gz VBUFZHIVGHSDTH-UHFFFAOYSA-N 0 0 336.351 2.925 10 5 EFBERN COc1ccc(CNC(=O)c2cccnc2C(F)F)cc1[N+](=O)[O-] ZINC001356409330 1335032132 /nfs/dbraw/zinc/03/21/32/1335032132.db2.gz VOKKTGFGHOWHNC-UHFFFAOYSA-N 0 0 337.282 2.866 10 5 EFBERN COC(=O)c1coc(/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC001356457249 1335038841 /nfs/dbraw/zinc/03/88/41/1335038841.db2.gz ARQKUXFPZTZPQJ-AATRIKPKSA-N 0 0 331.280 2.731 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CCCOc2ccccc21 ZINC001356459012 1335039557 /nfs/dbraw/zinc/03/95/57/1335039557.db2.gz YDVDZVFSWWJBIP-OAHLLOKOSA-N 0 0 345.355 2.947 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001356527429 1335048761 /nfs/dbraw/zinc/04/87/61/1335048761.db2.gz MTBXWWVNYNUCRE-UHFFFAOYSA-N 0 0 349.274 2.927 10 5 EFBERN O=C(Nc1ccc(-n2nccn2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001357110056 1335282363 /nfs/dbraw/zinc/28/23/63/1335282363.db2.gz IKZUWTPLVMGTMZ-IAGOWNOFSA-N 0 0 349.350 2.918 10 5 EFBERN Cc1nc([C@@H](C)NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])no1 ZINC001357169600 1335288231 /nfs/dbraw/zinc/28/82/31/1335288231.db2.gz YNAJIDNYVCEJBP-MRVPVSSYSA-N 0 0 338.751 2.750 10 5 EFBERN Cn1cc(-c2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC001357200272 1335290967 /nfs/dbraw/zinc/29/09/67/1335290967.db2.gz SEDADUIRASNUDO-UHFFFAOYSA-N 0 0 340.339 2.561 10 5 EFBERN CC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)nc1 ZINC001357531380 1335313292 /nfs/dbraw/zinc/31/32/92/1335313292.db2.gz GIJSZBPKISBYFI-UHFFFAOYSA-N 0 0 329.312 2.614 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1c(F)cccc1F ZINC001357702556 1335326776 /nfs/dbraw/zinc/32/67/76/1335326776.db2.gz XXHNHYRUSFUOPL-UHFFFAOYSA-N 0 0 338.285 2.914 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccnc2ccnn21 ZINC001357722407 1335328793 /nfs/dbraw/zinc/32/87/93/1335328793.db2.gz DPDGYHIMEMGQNF-UHFFFAOYSA-N 0 0 345.746 2.862 10 5 EFBERN CCc1cc(NC(=O)C2(C(C)C)COC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001357969722 1335350172 /nfs/dbraw/zinc/35/01/72/1335350172.db2.gz LQHZTRYTVYKJFA-UHFFFAOYSA-N 0 0 343.383 2.738 10 5 EFBERN COc1ccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c(OC)n1 ZINC001357975955 1335351093 /nfs/dbraw/zinc/35/10/93/1335351093.db2.gz SYIMLBUDPTVEQN-UHFFFAOYSA-N 0 0 331.328 2.876 10 5 EFBERN C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCCO1 ZINC001358048737 1335357871 /nfs/dbraw/zinc/35/78/71/1335357871.db2.gz JYSLEBFJTDALEV-ZDUSSCGKSA-N 0 0 341.367 2.908 10 5 EFBERN COC(=O)c1ccnc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001358084060 1335359961 /nfs/dbraw/zinc/35/99/61/1335359961.db2.gz LBHZGWAAUZRODO-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC001358203373 1335366317 /nfs/dbraw/zinc/36/63/17/1335366317.db2.gz OSJJUCGTIQMNGL-UHFFFAOYSA-N 0 0 346.240 2.896 10 5 EFBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cnn(C(F)F)c1 ZINC001358330157 1335372521 /nfs/dbraw/zinc/37/25/21/1335372521.db2.gz UTUKPCIPTUUVGF-UHFFFAOYSA-N 0 0 348.269 2.624 10 5 EFBERN CCn1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC001358328987 1335372523 /nfs/dbraw/zinc/37/25/23/1335372523.db2.gz AKUIRHJCHWLLEN-UHFFFAOYSA-N 0 0 331.328 2.520 10 5 EFBERN C[C@H](CC(F)(F)F)CS(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000849368004 1335600124 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CC(C)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000849675710 1335692895 /nfs/dbraw/zinc/69/28/95/1335692895.db2.gz QIZTXEPSUCOZCP-WDEREUQCSA-N 0 0 338.335 2.675 10 5 EFBERN CO[C@@H](COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000849688222 1335699171 /nfs/dbraw/zinc/69/91/71/1335699171.db2.gz ASLFAGCJFVGNFO-INIZCTEOSA-N 0 0 345.355 2.752 10 5 EFBERN CCc1nnc([C@H](C)OC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[nH]1 ZINC000849688796 1335699934 /nfs/dbraw/zinc/69/99/34/1335699934.db2.gz WSOBEGFPVOUISS-NSHDSACASA-N 0 0 348.359 2.657 10 5 EFBERN CO[C@H](COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000849694791 1335702923 /nfs/dbraw/zinc/70/29/23/1335702923.db2.gz MBPKUTXQSDKIKA-CQSZACIVSA-N 0 0 338.316 2.783 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCO[C@H]1CC1(F)F ZINC000849717865 1335715449 /nfs/dbraw/zinc/71/54/49/1335715449.db2.gz GENHWZAPTCFXNZ-ZDUSSCGKSA-N 0 0 340.282 2.517 10 5 EFBERN CCc1nnc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1 ZINC000849755870 1335737446 /nfs/dbraw/zinc/73/74/46/1335737446.db2.gz CUUXWPXMZPDLFX-ZCFIWIBFSA-N 0 0 342.714 2.986 10 5 EFBERN CCc1nnc([C@@H](C)OC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000849756074 1335737485 /nfs/dbraw/zinc/73/74/85/1335737485.db2.gz FKCDFUQAJDNBEX-PBQZMEPESA-N 0 0 330.344 2.983 10 5 EFBERN CCc1nnc([C@H](C)OC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000849756073 1335737614 /nfs/dbraw/zinc/73/76/14/1335737614.db2.gz FKCDFUQAJDNBEX-JUDLJHIGSA-N 0 0 330.344 2.983 10 5 EFBERN CC(C)(C(=O)OCCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000849757026 1335738253 /nfs/dbraw/zinc/73/82/53/1335738253.db2.gz MUFRYCWOBVXKKL-LBPRGKRZSA-N 0 0 347.289 2.979 10 5 EFBERN CN(C)c1cc(F)c(C(=O)O[C@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000849781087 1335753509 /nfs/dbraw/zinc/75/35/09/1335753509.db2.gz DENHKLXAJOGJIY-SECBINFHSA-N 0 0 326.324 2.524 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCCO[C@@H]1CC1(F)F ZINC000849789230 1335757217 /nfs/dbraw/zinc/75/72/17/1335757217.db2.gz LQCRFBBWCWWSMT-CYBMUJFWSA-N 0 0 343.282 2.525 10 5 EFBERN CC1(C)C[C@@H](OC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CO1 ZINC000849792097 1335758677 /nfs/dbraw/zinc/75/86/77/1335758677.db2.gz QZDUZWLRDCZBLU-GFCCVEGCSA-N 0 0 331.328 2.709 10 5 EFBERN CO[C@H](COC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000849800585 1335760418 /nfs/dbraw/zinc/76/04/18/1335760418.db2.gz FTPQDAIFOIMCJX-IINYFYTJSA-N 0 0 343.763 2.765 10 5 EFBERN CO[C@@H](COC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849800587 1335760580 /nfs/dbraw/zinc/76/05/80/1335760580.db2.gz FTPQDAIFOIMCJX-YGRLFVJLSA-N 0 0 343.763 2.765 10 5 EFBERN O=C(OCc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(n1)CCCN2 ZINC000849821793 1335769011 /nfs/dbraw/zinc/76/90/11/1335769011.db2.gz VEJZHHZTKUKUMR-UHFFFAOYSA-N 0 0 331.303 2.844 10 5 EFBERN CC1(C)OC[C@H](COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)O1 ZINC000849931038 1335811251 /nfs/dbraw/zinc/81/12/51/1335811251.db2.gz QRJIMZNLXMJMRU-YFKPBYRVSA-N 0 0 325.214 2.682 10 5 EFBERN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OCCC1(O)CC1 ZINC000849952856 1335819623 /nfs/dbraw/zinc/81/96/23/1335819623.db2.gz BEVICAZYXWEQDB-UHFFFAOYSA-N 0 0 347.121 2.559 10 5 EFBERN CCn1cc(Cl)cc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001359862249 1335928755 /nfs/dbraw/zinc/92/87/55/1335928755.db2.gz RSRPZIZLHVBJMU-UHFFFAOYSA-N 0 0 337.763 2.878 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001359934374 1335931201 /nfs/dbraw/zinc/93/12/01/1335931201.db2.gz FXNJBLGIRZRERW-LSDHHAIUSA-N 0 0 332.356 2.680 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC001360060760 1335933932 /nfs/dbraw/zinc/93/39/32/1335933932.db2.gz QCALZGFUBOHNGX-ZDUSSCGKSA-N 0 0 341.367 2.969 10 5 EFBERN CC1(C)OC(=O)c2c1cccc2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001360348435 1335938901 /nfs/dbraw/zinc/93/89/01/1335938901.db2.gz GLBAJDPDPBONRC-UHFFFAOYSA-N 0 0 340.335 2.930 10 5 EFBERN COC(=O)c1cc(NC(=O)C[C@@H]2CC(C)(C)CO2)cc([N+](=O)[O-])c1 ZINC001360572749 1335943169 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CCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nc(C)c2cccnc21 ZINC001436599313 1387270213 /nfs/dbraw/zinc/27/02/13/1387270213.db2.gz ZGPYOWFYUVRQIY-UHFFFAOYSA-N 0 0 339.355 2.849 10 5 EFBERN C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001436606092 1387270229 /nfs/dbraw/zinc/27/02/29/1387270229.db2.gz HDMHRTTVWDJDJL-PXAZEXFGSA-N 0 0 343.387 2.874 10 5 EFBERN CN(CCNC(=O)Cc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC001492839839 1358623571 /nfs/dbraw/zinc/62/35/71/1358623571.db2.gz LDHFKHQCTSHCMG-UHFFFAOYSA-N 0 0 345.374 2.525 10 5 EFBERN COc1cncc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001437037169 1387380890 /nfs/dbraw/zinc/38/08/90/1387380890.db2.gz ILTSVIOPXIBAND-UHFFFAOYSA-N 0 0 336.735 2.618 10 5 EFBERN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)c1ccc([N+](=O)[O-])o1 ZINC001437173006 1387440645 /nfs/dbraw/zinc/44/06/45/1387440645.db2.gz LEZHMPDDAPOUNZ-UHFFFAOYSA-N 0 0 340.238 2.782 10 5 EFBERN CCNC(=O)Oc1cccc(OC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC001437177432 1387444318 /nfs/dbraw/zinc/44/43/18/1387444318.db2.gz FPNPIEPDSPCVMQ-UHFFFAOYSA-N 0 0 344.323 2.851 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C)c1OC ZINC001437185741 1387449129 /nfs/dbraw/zinc/44/91/29/1387449129.db2.gz MDXDMBWSDZSKGO-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cnc2ccccn12 ZINC001437443755 1387650223 /nfs/dbraw/zinc/65/02/23/1387650223.db2.gz HZSGDNMOSHSUFK-UHFFFAOYSA-N 0 0 328.353 2.973 10 5 EFBERN C[C@H](Oc1ccccn1)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001437522516 1387728718 /nfs/dbraw/zinc/72/87/18/1387728718.db2.gz GRKGXAMNIAGIKP-NSHDSACASA-N 0 0 338.323 2.944 10 5 EFBERN COCc1ncsc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001437524962 1387730292 /nfs/dbraw/zinc/73/02/92/1387730292.db2.gz GSBUEEUOFTZUAN-UHFFFAOYSA-N 0 0 344.352 2.998 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)nn1 ZINC001437526170 1387731844 /nfs/dbraw/zinc/73/18/44/1387731844.db2.gz OFMDXNBRLDIBMC-UHFFFAOYSA-N 0 0 329.703 2.839 10 5 EFBERN CSc1ccc(C(=O)Nc2cnc3ccnn3c2)cc1[N+](=O)[O-] ZINC001437642300 1387878076 /nfs/dbraw/zinc/87/80/76/1387878076.db2.gz TZHQBYGJOQZGIR-UHFFFAOYSA-N 0 0 329.341 2.612 10 5 EFBERN CCOc1ccc(C(=O)Nc2nccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC001437772317 1388048239 /nfs/dbraw/zinc/04/82/39/1388048239.db2.gz TXLZNURKLIETPB-UHFFFAOYSA-N 0 0 328.328 2.913 10 5 EFBERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001545697555 1370219006 /nfs/dbraw/zinc/21/90/06/1370219006.db2.gz QDICYOHOBVMAAY-NSHDSACASA-N 0 0 329.356 2.586 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001437792371 1388076203 /nfs/dbraw/zinc/07/62/03/1388076203.db2.gz QXBSABMYHWTLMI-UHFFFAOYSA-N 0 0 341.367 2.816 10 5 EFBERN CC(=O)Nc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001437818263 1388113961 /nfs/dbraw/zinc/11/39/61/1388113961.db2.gz SJGZFXUKQYYSTG-UHFFFAOYSA-N 0 0 343.295 2.534 10 5 EFBERN COCc1cncc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c1 ZINC001437871879 1388159227 /nfs/dbraw/zinc/15/92/27/1388159227.db2.gz NFBIDZUUTHXNPV-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN O=C(NCc1cccc(CO)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001545715944 1372067175 /nfs/dbraw/zinc/06/71/75/1372067175.db2.gz BNGDIFDLINDCSG-UHFFFAOYSA-N 0 0 338.722 2.810 10 5 EFBERN CCOC(=O)c1cc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC001437967347 1388279474 /nfs/dbraw/zinc/27/94/74/1388279474.db2.gz AWMVWGUPKZHCPU-UPJWGTAASA-N 0 0 346.383 2.938 10 5 EFBERN CSc1cccc(C(=O)Nc2cnc3nccn3c2)c1[N+](=O)[O-] ZINC001438029307 1388328698 /nfs/dbraw/zinc/32/86/98/1388328698.db2.gz RDXLDXMWTYXLKU-UHFFFAOYSA-N 0 0 329.341 2.612 10 5 EFBERN COC(=O)c1coc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001438119883 1388364326 /nfs/dbraw/zinc/36/43/26/1388364326.db2.gz LKGGSIJORADLNP-UHFFFAOYSA-N 0 0 346.339 2.568 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)n1 ZINC001438395123 1388558977 /nfs/dbraw/zinc/55/89/77/1388558977.db2.gz DVJGWIPHFSDROI-KFWWJZLASA-N 0 0 340.383 2.687 10 5 EFBERN Cc1ccc(CNC(=O)c2coc(C3CCOCC3)n2)cc1[N+](=O)[O-] ZINC001438577136 1388678217 /nfs/dbraw/zinc/67/82/17/1388678217.db2.gz RCVUROIAURUOCU-UHFFFAOYSA-N 0 0 345.355 2.715 10 5 EFBERN CN1Cc2ccccc2[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001438578959 1388679169 /nfs/dbraw/zinc/67/91/69/1388679169.db2.gz WSMJWGKSCBVPEJ-HNNXBMFYSA-N 0 0 329.331 2.650 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001438600144 1388690364 /nfs/dbraw/zinc/69/03/64/1388690364.db2.gz MXPMLPLRAATZRL-TXEJJXNPSA-N 0 0 334.372 2.753 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(F)c(OC)cc2F)c1[N+](=O)[O-] ZINC001545772178 1381280970 /nfs/dbraw/zinc/28/09/70/1381280970.db2.gz PJOFRFKPBJECQJ-UHFFFAOYSA-N 0 0 338.270 2.571 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1ccccc1[N+](=O)[O-] ZINC001438796689 1388820786 /nfs/dbraw/zinc/82/07/86/1388820786.db2.gz FOTXXZDYNKAPEH-ZBEGNZNMSA-N 0 0 341.323 2.787 10 5 EFBERN C[C@H](OC(=O)[C@H]1CC(c2cccnc2)=NO1)c1ccccc1[N+](=O)[O-] ZINC001438796686 1388821043 /nfs/dbraw/zinc/82/10/43/1388821043.db2.gz FOTXXZDYNKAPEH-MEDUHNTESA-N 0 0 341.323 2.787 10 5 EFBERN COc1cccc2c1[C@@H](C(=O)Nc1ncc([N+](=O)[O-])cc1OC)CC2 ZINC001438800693 1388824091 /nfs/dbraw/zinc/82/40/91/1388824091.db2.gz PQXPBCUDLZEMNC-LBPRGKRZSA-N 0 0 343.339 2.676 10 5 EFBERN C[C@@H](OC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1ccccc1[N+](=O)[O-] ZINC001438800277 1388824097 /nfs/dbraw/zinc/82/40/97/1388824097.db2.gz FOTXXZDYNKAPEH-BZNIZROVSA-N 0 0 341.323 2.787 10 5 EFBERN CSc1ccc(C(=O)Nc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC001438859487 1388868746 /nfs/dbraw/zinc/86/87/46/1388868746.db2.gz ZBKXLSLFOSAMEU-UHFFFAOYSA-N 0 0 326.765 2.956 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001438877050 1388885031 /nfs/dbraw/zinc/88/50/31/1388885031.db2.gz MDJBMMFOJANVRC-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001438893394 1388894697 /nfs/dbraw/zinc/89/46/97/1388894697.db2.gz GHXVXDPGQWITPX-CYBMUJFWSA-N 0 0 336.388 2.929 10 5 EFBERN O=C(Nc1ccc2c(n1)CCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001439065517 1388974680 /nfs/dbraw/zinc/97/46/80/1388974680.db2.gz KXJFAYCGZNAZQU-UHFFFAOYSA-N 0 0 341.323 2.850 10 5 EFBERN CCN(C(=O)CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC001439274711 1389089519 /nfs/dbraw/zinc/08/95/19/1389089519.db2.gz WAZHCZSPRLKDHO-UHFFFAOYSA-N 0 0 341.367 2.686 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2cncc(Cl)c2)cc([N+](=O)[O-])c1 ZINC001439279436 1389092963 /nfs/dbraw/zinc/09/29/63/1389092963.db2.gz JGHIOGHHWCKJIT-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC001439332210 1389152946 /nfs/dbraw/zinc/15/29/46/1389152946.db2.gz PPGRZSDDXSJJEB-LBPRGKRZSA-N 0 0 349.343 2.500 10 5 EFBERN COC(=O)c1c(C)cc(NC(=O)Cc2ccccc2[N+](=O)[O-])nc1C ZINC001440026472 1389382457 /nfs/dbraw/zinc/38/24/57/1389382457.db2.gz AKOZOPKFHFBZFJ-UHFFFAOYSA-N 0 0 343.339 2.574 10 5 EFBERN COCc1ccnc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001440071852 1389385174 /nfs/dbraw/zinc/38/51/74/1389385174.db2.gz ZOCXEPMIUAYIKH-UHFFFAOYSA-N 0 0 342.355 2.592 10 5 EFBERN COc1cc(C(=O)Nc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1F ZINC001440074037 1389385494 /nfs/dbraw/zinc/38/54/94/1389385494.db2.gz LEJPYTDHGWDCDR-UHFFFAOYSA-N 0 0 344.302 2.882 10 5 EFBERN NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001440659847 1389805999 /nfs/dbraw/zinc/80/59/99/1389805999.db2.gz VBZYUQOSLSNJHH-UHFFFAOYSA-N 0 0 333.731 2.528 10 5 EFBERN Nc1c(Br)cc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC001440666241 1389807544 /nfs/dbraw/zinc/80/75/44/1389807544.db2.gz ZYBZHOBFGPOUNX-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001440713952 1389832309 /nfs/dbraw/zinc/83/23/09/1389832309.db2.gz KKVVTBGFMXWTDP-UHFFFAOYSA-N 0 0 346.633 2.545 10 5 EFBERN Cc1csc(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001440947596 1390036821 /nfs/dbraw/zinc/03/68/21/1390036821.db2.gz ODVQLWNGPLWQHA-UHFFFAOYSA-N 0 0 343.368 2.680 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc2c[nH]nc2c1 ZINC001441024871 1391042375 /nfs/dbraw/zinc/04/23/75/1391042375.db2.gz FTQSWQXUVWYJHR-UHFFFAOYSA-N 0 0 345.746 2.792 10 5 EFBERN CO[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001442089145 1391443312 /nfs/dbraw/zinc/44/33/12/1391443312.db2.gz GTAVLPBWYBQPLX-INIZCTEOSA-N 0 0 332.331 2.780 10 5 EFBERN Cc1ccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c(N(C)C)n1 ZINC001446629980 1391564868 /nfs/dbraw/zinc/56/48/68/1391564868.db2.gz NNQOHEDSVORZMH-UHFFFAOYSA-N 0 0 349.778 2.852 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC001446947218 1391644015 /nfs/dbraw/zinc/64/40/15/1391644015.db2.gz NKTKMZTUFPIFFL-GFCCVEGCSA-N 0 0 343.261 2.781 10 5 EFBERN COc1ccc([C@@H](CO)N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001446952315 1391645322 /nfs/dbraw/zinc/64/53/22/1391645322.db2.gz UUFLWSDEDNFNKA-MRXNPFEDSA-N 0 0 348.330 2.548 10 5 EFBERN CC(C)Oc1cc(O)ccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001447639816 1391721704 /nfs/dbraw/zinc/72/17/04/1391721704.db2.gz MBNQDLVGRQHYFP-UHFFFAOYSA-N 0 0 340.723 2.716 10 5 EFBERN CC(C)N(C)c1ccccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001448186831 1392002572 /nfs/dbraw/zinc/00/25/72/1392002572.db2.gz MNAHPQGBIADMRH-UHFFFAOYSA-N 0 0 329.360 2.669 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC001448254707 1392052400 /nfs/dbraw/zinc/05/24/00/1392052400.db2.gz WKGUWIQOLDDHDS-NSHDSACASA-N 0 0 341.795 2.501 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(Cl)ccnc1F ZINC001448552319 1392088354 /nfs/dbraw/zinc/08/83/54/1392088354.db2.gz PNBLWZADZPWJAE-UHFFFAOYSA-N 0 0 349.709 2.589 10 5 EFBERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001449995424 1392485122 /nfs/dbraw/zinc/48/51/22/1392485122.db2.gz AXLLTYYXWYPQAM-NTSWFWBYSA-N 0 0 340.689 2.774 10 5 EFBERN CC(C)(C)C1CC(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001450361306 1392584512 /nfs/dbraw/zinc/58/45/12/1392584512.db2.gz VLJXNLBPLIZVEZ-UHFFFAOYSA-N 0 0 343.387 2.730 10 5 EFBERN CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001450610903 1392662470 /nfs/dbraw/zinc/66/24/70/1392662470.db2.gz RDFPXRBVRMQQJQ-ZDUSSCGKSA-N 0 0 344.371 2.804 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CNC(=O)c1ccc(F)cc1 ZINC001450689498 1392699272 /nfs/dbraw/zinc/69/92/72/1392699272.db2.gz SYODKHAKFOQEPW-UHFFFAOYSA-N 0 0 345.330 2.719 10 5 EFBERN C[C@]1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC(c2ccccc2)=NO1 ZINC001450773740 1392744376 /nfs/dbraw/zinc/74/43/76/1392744376.db2.gz WQTFKSYRXHSBJE-QGZVFWFLSA-N 0 0 340.339 2.699 10 5 EFBERN CSc1ncc(Cl)c(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001450779666 1392748359 /nfs/dbraw/zinc/74/83/59/1392748359.db2.gz YDMVMAJWANNCPI-UHFFFAOYSA-N 0 0 339.764 2.595 10 5 EFBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc(OC)c1Cl ZINC001451142751 1392806083 /nfs/dbraw/zinc/80/60/83/1392806083.db2.gz HYGDRNZONGVYKE-UHFFFAOYSA-N 0 0 325.708 2.846 10 5 EFBERN O=C(Nc1ccccc1OC(F)F)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001451170305 1392810778 /nfs/dbraw/zinc/81/07/78/1392810778.db2.gz RACAOOIIXNAPMB-ZDUSSCGKSA-N 0 0 338.266 2.868 10 5 EFBERN CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC001454977548 1394492800 /nfs/dbraw/zinc/49/28/00/1394492800.db2.gz DAKPMGCCHQVPFY-UHFFFAOYSA-N 0 0 348.315 2.884 10 5 EFBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H](O)c1ccccc1 ZINC001455530825 1394604516 /nfs/dbraw/zinc/60/45/16/1394604516.db2.gz CWUSZODCTCNLMJ-WMLDXEAASA-N 0 0 344.367 2.845 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001455587306 1394617197 /nfs/dbraw/zinc/61/71/97/1394617197.db2.gz GLSHBBLFVVAXOQ-UHFFFAOYSA-N 0 0 336.307 2.823 10 5 EFBERN CC(C)c1nc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC001456341123 1394671160 /nfs/dbraw/zinc/67/11/60/1394671160.db2.gz KUOGXFFSCJSDSO-HUUCEWRRSA-N 0 0 328.372 2.861 10 5 EFBERN CN(C)c1ncc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC001456454083 1394696198 /nfs/dbraw/zinc/69/61/98/1394696198.db2.gz HYZOTYFZQVTLIJ-UHFFFAOYSA-N 0 0 334.763 2.639 10 5 EFBERN Cc1ccc([S@](C)(=O)=NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001456478614 1394699913 /nfs/dbraw/zinc/69/99/13/1394699913.db2.gz WCUBLZWYSBSSHO-QFIPXVFZSA-N 0 0 342.764 2.577 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)n1 ZINC001456543107 1394710905 /nfs/dbraw/zinc/71/09/05/1394710905.db2.gz KJCURACQEQSCOQ-OAHLLOKOSA-N 0 0 342.355 2.519 10 5 EFBERN COc1ccc(F)cc1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001456751730 1394790214 /nfs/dbraw/zinc/79/02/14/1394790214.db2.gz SDXUOODPIHXDPO-UHFFFAOYSA-N 0 0 333.319 2.814 10 5 EFBERN Cc1ccc(COCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001456752097 1394790634 /nfs/dbraw/zinc/79/06/34/1394790634.db2.gz UDCSEGFXRBOZIC-UHFFFAOYSA-N 0 0 329.356 2.949 10 5 EFBERN Cc1ccc(NC(=O)[C@@](C)(O)c2ccc(Cl)cc2)c(N)c1[N+](=O)[O-] ZINC001456751066 1394790957 /nfs/dbraw/zinc/79/09/57/1394790957.db2.gz QIBCXJVHUFQCQK-INIZCTEOSA-N 0 0 349.774 2.985 10 5 EFBERN Cc1c(CC(=O)N[C@@H]2CO[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001456775473 1394801262 /nfs/dbraw/zinc/80/12/62/1394801262.db2.gz LVUBKCYUMLBVED-QAPCUYQASA-N 0 0 326.352 2.702 10 5 EFBERN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001456870970 1394844528 /nfs/dbraw/zinc/84/45/28/1394844528.db2.gz UARVPMLHUYWENH-CHWSQXEVSA-N 0 0 345.403 2.789 10 5 EFBERN COc1cccc(O[C@H](C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001456879404 1394849196 /nfs/dbraw/zinc/84/91/96/1394849196.db2.gz DKHGWYJVLUHRNR-LLVKDONJSA-N 0 0 348.330 2.940 10 5 EFBERN CO[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(C)C ZINC001456938468 1394876221 /nfs/dbraw/zinc/87/62/21/1394876221.db2.gz MTNIQBFYGXTTQV-AWEZNQCLSA-N 0 0 331.372 2.731 10 5 EFBERN Cc1cc(COCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC001457015342 1394923447 /nfs/dbraw/zinc/92/34/47/1394923447.db2.gz BLLHRVKFJGTZBQ-GFCCVEGCSA-N 0 0 333.344 2.594 10 5 EFBERN Nc1ncc(C(=O)NCCC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC001457018698 1394925202 /nfs/dbraw/zinc/92/52/02/1394925202.db2.gz WTEMZRUYQRPAEU-UHFFFAOYSA-N 0 0 328.319 2.517 10 5 EFBERN C[S@@](=O)(=NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC001457088168 1394964148 /nfs/dbraw/zinc/96/41/48/1394964148.db2.gz BQPQACGEUASVLJ-QHCPKHFHSA-N 0 0 337.332 2.613 10 5 EFBERN Cc1cc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001457202874 1395029070 /nfs/dbraw/zinc/02/90/70/1395029070.db2.gz BLVMSLDSEAUDEN-LBPRGKRZSA-N 0 0 327.340 2.660 10 5 EFBERN Cc1cc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001457202872 1395029130 /nfs/dbraw/zinc/02/91/30/1395029130.db2.gz BLVMSLDSEAUDEN-GFCCVEGCSA-N 0 0 327.340 2.660 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)ccn(C)c1=O ZINC001457277154 1395053276 /nfs/dbraw/zinc/05/32/76/1395053276.db2.gz HCVWIIFSGIBGSF-UHFFFAOYSA-N 0 0 333.369 2.576 10 5 EFBERN CC(=O)N[C@](C)(C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC001457549317 1395207405 /nfs/dbraw/zinc/20/74/05/1395207405.db2.gz QCTWEFNWFGWSHT-KRWDZBQOSA-N 0 0 344.371 2.632 10 5 EFBERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])CO2 ZINC001457678393 1395280941 /nfs/dbraw/zinc/28/09/41/1395280941.db2.gz UMIZDKWMRMYFHJ-AWEZNQCLSA-N 0 0 330.315 2.835 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2COC)n1 ZINC001457710700 1395301090 /nfs/dbraw/zinc/30/10/90/1395301090.db2.gz HGUPVDZORFKEKO-UHFFFAOYSA-N 0 0 338.751 2.863 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1OC ZINC001457984090 1395393298 /nfs/dbraw/zinc/39/32/98/1395393298.db2.gz RQKBSYGRCJDHNO-CYBMUJFWSA-N 0 0 331.328 2.585 10 5 EFBERN CC[C@@H](NC(=O)c1csc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC001458045184 1395399593 /nfs/dbraw/zinc/39/95/93/1395399593.db2.gz RNUGGEFCPXCYFE-LLVKDONJSA-N 0 0 349.368 2.719 10 5 EFBERN Cc1ccc(NC(=O)CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001458090247 1395406641 /nfs/dbraw/zinc/40/66/41/1395406641.db2.gz WSWRVQBWUAQCDM-UHFFFAOYSA-N 0 0 339.355 2.854 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCOc2cccc(Br)c2)n1 ZINC001458124115 1395408721 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COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C)cc(Cl)n1 ZINC001458234779 1395427766 /nfs/dbraw/zinc/42/77/66/1395427766.db2.gz XUCSXECQMXMLHG-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN Cc1cc(N2CCN(c3cccc(F)c3)C(=O)C2)c([N+](=O)[O-])s1 ZINC001458306909 1395442743 /nfs/dbraw/zinc/44/27/43/1395442743.db2.gz PGHIHMJOMGNADR-UHFFFAOYSA-N 0 0 335.360 2.957 10 5 EFBERN COc1cc(C)nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001458322821 1395445947 /nfs/dbraw/zinc/44/59/47/1395445947.db2.gz LIACOAXHAVZWCV-UHFFFAOYSA-N 0 0 336.735 2.536 10 5 EFBERN CSC1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001458344473 1395451083 /nfs/dbraw/zinc/45/10/83/1395451083.db2.gz BEKJYBZTDMCKFY-UHFFFAOYSA-N 0 0 334.357 2.781 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@H]1CCn2ccnc21 ZINC001458394849 1395459325 /nfs/dbraw/zinc/45/93/25/1395459325.db2.gz XQRZQFBYEPJFAQ-LBPRGKRZSA-N 0 0 329.747 2.972 10 5 EFBERN CC(=O)c1ccc(NC[C@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001458400988 1395459747 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EFBERN CC[C@H](OC(=O)/C=C/c1ccc(C(N)=O)o1)c1cccc([N+](=O)[O-])c1 ZINC001458460101 1395473577 /nfs/dbraw/zinc/47/35/77/1395473577.db2.gz GZIYYZMAPMGFET-KGXGESDWSA-N 0 0 344.323 2.994 10 5 EFBERN CCC(=O)N1CC[C@@H](C(=O)O[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001458460976 1395474478 /nfs/dbraw/zinc/47/44/78/1395474478.db2.gz OLPAOCWYJPEINO-HIFRSBDPSA-N 0 0 334.372 2.848 10 5 EFBERN COC(=O)c1nc(CNc2ccc([N+](=O)[O-])c(C)n2)ccc1Cl ZINC001458473757 1395476544 /nfs/dbraw/zinc/47/65/44/1395476544.db2.gz CKWBTXUCJCNNRL-UHFFFAOYSA-N 0 0 336.735 2.745 10 5 EFBERN NC(=O)c1ccnc(Oc2cccc(-c3ccccn3)c2)c1[N+](=O)[O-] ZINC001458509013 1395485965 /nfs/dbraw/zinc/48/59/65/1395485965.db2.gz BEBLJGWLWKOFBD-UHFFFAOYSA-N 0 0 336.307 2.943 10 5 EFBERN CCc1nn(C)c(NCc2cccc3c2OC(F)(F)O3)c1[N+](=O)[O-] ZINC001458513842 1395486199 /nfs/dbraw/zinc/48/61/99/1395486199.db2.gz HCDAFQBQSHTBQY-UHFFFAOYSA-N 0 0 340.286 2.824 10 5 EFBERN C[C@H]1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)CN1C(=O)OC(C)(C)C ZINC001458525152 1395489103 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Cn1ccnc1C(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001458997863 1395670360 /nfs/dbraw/zinc/67/03/60/1395670360.db2.gz OIIBNEBLMJQXKB-UHFFFAOYSA-N 0 0 329.234 2.609 10 5 EFBERN CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c3ccccc23)CCO1 ZINC001459001057 1395671120 /nfs/dbraw/zinc/67/11/20/1395671120.db2.gz STTVPAWXLBUVJW-UHFFFAOYSA-N 0 0 344.367 2.764 10 5 EFBERN CCOC(C)(C)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001459029136 1395683882 /nfs/dbraw/zinc/68/38/82/1395683882.db2.gz FFVORPUZYODRIT-UHFFFAOYSA-N 0 0 331.372 2.875 10 5 EFBERN CCOc1ccc(C(=O)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC001459056277 1395693273 /nfs/dbraw/zinc/69/32/73/1395693273.db2.gz IKGCFPXUFUREEL-UHFFFAOYSA-N 0 0 342.307 2.784 10 5 EFBERN C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1cc(F)ccc1F ZINC001459096833 1395710412 /nfs/dbraw/zinc/71/04/12/1395710412.db2.gz LFEVCRFBLUSFTD-ZCFIWIBFSA-N 0 0 340.311 2.609 10 5 EFBERN Cn1cc(COc2ccc([N+](=O)[O-])c(F)c2F)c(Br)n1 ZINC001459099246 1395711026 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CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C)nn2c1 ZINC001459454989 1395877223 /nfs/dbraw/zinc/87/72/23/1395877223.db2.gz QLBJSEDSMRHOOA-UHFFFAOYSA-N 0 0 343.368 2.920 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)[C@H](C)c1ccccc1 ZINC001546109722 1395919558 /nfs/dbraw/zinc/91/95/58/1395919558.db2.gz JBDDNJNCXZQTIF-WBMJQRKESA-N 0 0 346.358 2.937 10 5 EFBERN COC(=O)c1coc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001459812779 1395984648 /nfs/dbraw/zinc/98/46/48/1395984648.db2.gz RFNYAKNWAIQMKF-SECBINFHSA-N 0 0 334.284 2.596 10 5 EFBERN CCO[C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C(C)C ZINC001459847410 1395986594 /nfs/dbraw/zinc/98/65/94/1395986594.db2.gz QRUJJJOSBVQFOC-CQSZACIVSA-N 0 0 338.360 2.689 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[C@H]1CCC[C@@]3(CCOC3)O1)CC2 ZINC001459862093 1395987473 /nfs/dbraw/zinc/98/74/73/1395987473.db2.gz KXNPOMJUZCLVQP-QAPCUYQASA-N 0 0 332.400 2.994 10 5 EFBERN O=C(Nc1cccc2c1CNC2=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001459865775 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CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001460219610 1396014097 /nfs/dbraw/zinc/01/40/97/1396014097.db2.gz UNAUQYNXLJRKPV-QGZVFWFLSA-N 0 0 337.383 2.977 10 5 EFBERN Cc1ncc(C)c(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)n1 ZINC001460352771 1396029831 /nfs/dbraw/zinc/02/98/31/1396029831.db2.gz WKZGDOWELPNOSP-UHFFFAOYSA-N 0 0 337.339 2.989 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccc(O)cc2C1 ZINC001460466259 1396122219 /nfs/dbraw/zinc/12/22/19/1396122219.db2.gz KMGSUTWPHJAQMP-UHFFFAOYSA-N 0 0 327.340 2.563 10 5 EFBERN Cc1c(Cl)cncc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001460531472 1396196556 /nfs/dbraw/zinc/19/65/56/1396196556.db2.gz MLEGPLOMSBEOFB-UHFFFAOYSA-N 0 0 349.730 2.975 10 5 EFBERN COc1cc(C(=O)Nc2cccc3c2COC3=O)c([N+](=O)[O-])cc1F ZINC001460643836 1396239914 /nfs/dbraw/zinc/23/99/14/1396239914.db2.gz YXAVVOOCPJTRJZ-UHFFFAOYSA-N 0 0 346.270 2.665 10 5 EFBERN CC(C)(C)[C@@H]1CSCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460685182 1396242760 /nfs/dbraw/zinc/24/27/60/1396242760.db2.gz AQVVXJFJWFICTO-AWEZNQCLSA-N 0 0 337.445 2.997 10 5 EFBERN C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC001460799429 1396258096 /nfs/dbraw/zinc/25/80/96/1396258096.db2.gz FJMVVDZNUVINMP-JTQLQIEISA-N 0 0 344.302 2.783 10 5 EFBERN CC(C)CN(Cc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001460830275 1396260835 /nfs/dbraw/zinc/26/08/35/1396260835.db2.gz NXQHDWLDELWLNE-UHFFFAOYSA-N 0 0 342.399 2.747 10 5 EFBERN Cc1cccnc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460929973 1396269838 /nfs/dbraw/zinc/26/98/38/1396269838.db2.gz DJEOHNQEUDEXSX-OLZOCXBDSA-N 0 0 328.372 2.976 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC001461041366 1396284617 /nfs/dbraw/zinc/28/46/17/1396284617.db2.gz KSGSICVZVCZUFJ-UHFFFAOYSA-N 0 0 348.746 2.878 10 5 EFBERN CCc1cc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)nn1C ZINC001461036955 1396284954 /nfs/dbraw/zinc/28/49/54/1396284954.db2.gz LHHVAHCKNQIWSF-UHFFFAOYSA-N 0 0 339.355 2.878 10 5 EFBERN CCc1cc(C(=O)OC)c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)s1 ZINC001461067344 1396286964 /nfs/dbraw/zinc/28/69/64/1396286964.db2.gz UQYXWILNIUFBTN-UHFFFAOYSA-N 0 0 349.368 2.961 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cn2c(cccc2C)n1 ZINC001461366359 1396373172 /nfs/dbraw/zinc/37/31/72/1396373172.db2.gz XOPGATXHAPSPMT-UHFFFAOYSA-N 0 0 338.367 2.832 10 5 EFBERN O=C(COCc1cccnc1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001461447731 1396380608 /nfs/dbraw/zinc/38/06/08/1396380608.db2.gz AOZNUFRFUMJCGD-UHFFFAOYSA-N 0 0 338.323 2.693 10 5 EFBERN C[C@H](Oc1cccnc1)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001461450503 1396381666 /nfs/dbraw/zinc/38/16/66/1396381666.db2.gz JMMQDDPLRFRCST-NSHDSACASA-N 0 0 338.323 2.944 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cc(Cl)cc(Cl)c1 ZINC001461521772 1396385894 /nfs/dbraw/zinc/38/58/94/1396385894.db2.gz DOTMRMUIXXWVKN-UHFFFAOYSA-N 0 0 343.170 2.723 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)n1 ZINC001461619739 1396395066 /nfs/dbraw/zinc/39/50/66/1396395066.db2.gz GBIINPJBIBKULI-ZDUSSCGKSA-N 0 0 340.383 2.779 10 5 EFBERN O=C(Nc1ccc(Br)c2ncccc12)[C@@H]1CC1[N+](=O)[O-] ZINC001461626374 1396395988 /nfs/dbraw/zinc/39/59/88/1396395988.db2.gz PBFDNSYMIINTLT-LDYMZIIASA-N 0 0 336.145 2.601 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001461642569 1396396682 /nfs/dbraw/zinc/39/66/82/1396396682.db2.gz SQUNPRIYMABDAV-UHFFFAOYSA-N 0 0 345.330 2.647 10 5 EFBERN CN1CCc2c(NC(=O)c3ccc([N+](=O)[O-])s3)cccc2C1=O ZINC001461639754 1396397223 /nfs/dbraw/zinc/39/72/23/1396397223.db2.gz MHOBQFLHZCXAEK-UHFFFAOYSA-N 0 0 331.353 2.537 10 5 EFBERN CC[C@](C)(NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)C1CC1 ZINC001461653202 1396397947 /nfs/dbraw/zinc/39/79/47/1396397947.db2.gz SFMUJFYDBVZPQX-KRWDZBQOSA-N 0 0 343.387 2.543 10 5 EFBERN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)[C@@H]1CC1[N+](=O)[O-] ZINC001461681951 1396399484 /nfs/dbraw/zinc/39/94/84/1396399484.db2.gz AKMDUBJTRNDBCG-CHWSQXEVSA-N 0 0 340.314 2.744 10 5 EFBERN COC(=O)C[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001461707378 1396400515 /nfs/dbraw/zinc/40/05/15/1396400515.db2.gz VYBATLTYRFLMOK-JTQLQIEISA-N 0 0 331.328 2.671 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2([C@@H]3CCCCO3)CCC2)n1 ZINC001461907233 1396411851 /nfs/dbraw/zinc/41/18/51/1396411851.db2.gz XZHARYIKYDPGPB-HNNXBMFYSA-N 0 0 333.388 2.767 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C(C)(C)C)o1 ZINC001462212499 1396426996 /nfs/dbraw/zinc/42/69/96/1396426996.db2.gz SLGLWFFMXZHNRJ-UHFFFAOYSA-N 0 0 334.376 2.697 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001462221926 1396427836 /nfs/dbraw/zinc/42/78/36/1396427836.db2.gz LORKERHZKRELHB-ZDUSSCGKSA-N 0 0 340.335 2.667 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)cc1[N+](=O)[O-] ZINC001462250355 1396429539 /nfs/dbraw/zinc/42/95/39/1396429539.db2.gz CSNZINKSYQSWHK-INIZCTEOSA-N 0 0 330.315 2.662 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC001462250435 1396430204 /nfs/dbraw/zinc/43/02/04/1396430204.db2.gz DLZSPQBZSWCDIM-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001462406479 1396434405 /nfs/dbraw/zinc/43/44/05/1396434405.db2.gz WOIFXGKVTCYHSJ-UHFFFAOYSA-N 0 0 340.339 2.969 10 5 EFBERN C[C@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1ccccc1[N+](=O)[O-] ZINC001462580720 1396443691 /nfs/dbraw/zinc/44/36/91/1396443691.db2.gz QVSJZZZBPHCBEY-LBPRGKRZSA-N 0 0 349.350 2.938 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)NC(=O)C2 ZINC001462712590 1396448652 /nfs/dbraw/zinc/44/86/52/1396448652.db2.gz YWCLBVCQPJTKKQ-UHFFFAOYSA-N 0 0 343.364 2.820 10 5 EFBERN C[C@@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001462729234 1396450263 /nfs/dbraw/zinc/45/02/63/1396450263.db2.gz FJCALNQKKOVSGF-GFCCVEGCSA-N 0 0 349.350 2.938 10 5 EFBERN C[C@H](NC(=O)c1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001462748199 1396451359 /nfs/dbraw/zinc/45/13/59/1396451359.db2.gz UIHMWEVLKZALQG-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN Cc1nc2ccnn2c(C)c1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001462748113 1396451657 /nfs/dbraw/zinc/45/16/57/1396451657.db2.gz SOCHBXSVEUGHBI-JTQLQIEISA-N 0 0 339.355 2.745 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1c2ccccc2OC[C@H]1F ZINC001462747327 1396451776 /nfs/dbraw/zinc/45/17/76/1396451776.db2.gz QPZXRCAAMCLJJF-CXAGYDPISA-N 0 0 348.305 2.864 10 5 EFBERN COC(=O)Cc1cccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001462745961 1396451858 /nfs/dbraw/zinc/45/18/58/1396451858.db2.gz LTKYRRZBYFLLMR-LBPRGKRZSA-N 0 0 342.351 2.801 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N=[S@@](C)(=O)c2ccc(F)cc2)n1 ZINC001462873740 1396456974 /nfs/dbraw/zinc/45/69/74/1396456974.db2.gz KYKWSWOCRCLLSA-QHCPKHFHSA-N 0 0 337.332 2.734 10 5 EFBERN NC(=O)c1cc(NC(=O)c2ccccc2C(F)F)ccc1[N+](=O)[O-] ZINC001463025753 1396467607 /nfs/dbraw/zinc/46/76/07/1396467607.db2.gz LSPAONSPFJZEQV-UHFFFAOYSA-N 0 0 335.266 2.884 10 5 EFBERN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001463086639 1396472029 /nfs/dbraw/zinc/47/20/29/1396472029.db2.gz HUXMSMBYGGZRML-LBPRGKRZSA-N 0 0 343.339 2.965 10 5 EFBERN CC(C)c1nnc(CCC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001463090399 1396472474 /nfs/dbraw/zinc/47/24/74/1396472474.db2.gz PCOQQDYQQLHRNH-LBPRGKRZSA-N 0 0 346.387 2.954 10 5 EFBERN Cc1cc(NC(=O)Cn2cc(Br)cn2)cc([N+](=O)[O-])c1 ZINC001463411081 1396490957 /nfs/dbraw/zinc/49/09/57/1396490957.db2.gz WZSULUAGJKFGBL-UHFFFAOYSA-N 0 0 339.149 2.501 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1cnn2c1OCCC2 ZINC001463450305 1396493830 /nfs/dbraw/zinc/49/38/30/1396493830.db2.gz HENXUUQECYFFLD-UHFFFAOYSA-N 0 0 338.323 2.979 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2occc(=O)c2c1 ZINC001463475504 1396494575 /nfs/dbraw/zinc/49/45/75/1396494575.db2.gz UNORLOMMXBRWDN-UHFFFAOYSA-N 0 0 340.291 2.719 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2n[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC001463527880 1396499371 /nfs/dbraw/zinc/49/93/71/1396499371.db2.gz JUPSFTBIUUJLLQ-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cnc1C ZINC001463525471 1396499511 /nfs/dbraw/zinc/49/95/11/1396499511.db2.gz XBIBDTZACQUGOA-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN Cc1c(NC(=O)c2cnn(-c3ccccc3)c2N)cccc1[N+](=O)[O-] ZINC001463569283 1396503670 /nfs/dbraw/zinc/50/36/70/1396503670.db2.gz ZRXDJQQIAIAIPR-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN O=C(Nc1cccc(O)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001463606124 1396506382 /nfs/dbraw/zinc/50/63/82/1396506382.db2.gz HQECGYMKBOEYDV-UHFFFAOYSA-N 0 0 334.353 2.637 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cccnc1 ZINC001463616623 1396507861 /nfs/dbraw/zinc/50/78/61/1396507861.db2.gz NIKLCCOLDNLMJH-UHFFFAOYSA-N 0 0 334.719 2.854 10 5 EFBERN C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001463632905 1396509162 /nfs/dbraw/zinc/50/91/62/1396509162.db2.gz KATOHOGTMZYWGC-GFCCVEGCSA-N 0 0 342.355 2.594 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001463666019 1396511655 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CCOC(=O)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001464346230 1396566892 /nfs/dbraw/zinc/56/68/92/1396566892.db2.gz BFZFYZIDKTVVBT-MRXNPFEDSA-N 0 0 342.351 2.558 10 5 EFBERN CC(C)N(Cc1cccc(F)c1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001464454661 1396577315 /nfs/dbraw/zinc/57/73/15/1396577315.db2.gz OBTICYJSSNZEIX-UHFFFAOYSA-N 0 0 332.335 2.762 10 5 EFBERN C[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1cccnc1 ZINC001465094323 1396648982 /nfs/dbraw/zinc/64/89/82/1396648982.db2.gz ARZBNOQQQQZHGD-NSHDSACASA-N 0 0 337.339 2.871 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(=O)[nH]c2c1CCCC2 ZINC001465191946 1396657741 /nfs/dbraw/zinc/65/77/41/1396657741.db2.gz SVXMYDILWAXLHI-UHFFFAOYSA-N 0 0 327.340 2.504 10 5 EFBERN COC(=O)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(C)C ZINC001465248465 1396663257 /nfs/dbraw/zinc/66/32/57/1396663257.db2.gz RSQKPUSXESKGAF-SNVBAGLBSA-N 0 0 342.779 2.813 10 5 EFBERN CC1(C)[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC001465322340 1396669701 /nfs/dbraw/zinc/66/97/01/1396669701.db2.gz CNCFYJRHICRIOJ-VQISRLSMSA-N 0 0 338.791 2.720 10 5 EFBERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001465344145 1396671139 /nfs/dbraw/zinc/67/11/39/1396671139.db2.gz VAIAPPSXXHTPDS-ZDUSSCGKSA-N 0 0 340.763 2.804 10 5 EFBERN O=C(NCCCNc1ccccn1)c1cccc([N+](=O)[O-])c1Cl ZINC001465394948 1396676594 /nfs/dbraw/zinc/67/65/94/1396676594.db2.gz IGWQMROKSNOURS-UHFFFAOYSA-N 0 0 334.763 2.875 10 5 EFBERN Nc1nccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC001465542626 1396689036 /nfs/dbraw/zinc/68/90/36/1396689036.db2.gz DULLBUHLWNCGTG-UHFFFAOYSA-N 0 0 340.261 2.929 10 5 EFBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1F ZINC001465625730 1396698561 /nfs/dbraw/zinc/69/85/61/1396698561.db2.gz FUQIWVSKMBOUDT-SECBINFHSA-N 0 0 333.319 2.816 10 5 EFBERN CN(Cc1cc2ccccc2[nH]1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001465636876 1396699131 /nfs/dbraw/zinc/69/91/31/1396699131.db2.gz OSUHOQFCJYGPNZ-UHFFFAOYSA-N 0 0 333.735 2.725 10 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/nfs/dbraw/zinc/73/25/28/1396732528.db2.gz HTRILFFMUFLBEA-HNNXBMFYSA-N 0 0 332.331 2.896 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC001466078008 1396735907 /nfs/dbraw/zinc/73/59/07/1396735907.db2.gz OJUMBLAVMIUGFU-SNVBAGLBSA-N 0 0 330.344 2.585 10 5 EFBERN CCOc1ccccc1N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001466111673 1396738853 /nfs/dbraw/zinc/73/88/53/1396738853.db2.gz NHJWBBXNXGWPRY-INIZCTEOSA-N 0 0 330.340 2.690 10 5 EFBERN CCOc1ccccc1N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001466111674 1396738891 /nfs/dbraw/zinc/73/88/91/1396738891.db2.gz NHJWBBXNXGWPRY-MRXNPFEDSA-N 0 0 330.340 2.690 10 5 EFBERN COc1ccc(NC(=O)c2cccc3nc[nH]c(=O)c32)cc1[N+](=O)[O-] ZINC001466329509 1396749092 /nfs/dbraw/zinc/74/90/92/1396749092.db2.gz RORFMURRIJTBPH-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)[C@H]1OC ZINC001466517858 1396759426 /nfs/dbraw/zinc/75/94/26/1396759426.db2.gz MTBBWBQAYIGDQU-VCTAVGKDSA-N 0 0 335.404 2.747 10 5 EFBERN CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)[C@@H]1OC ZINC001466517857 1396759472 /nfs/dbraw/zinc/75/94/72/1396759472.db2.gz MTBBWBQAYIGDQU-KMUNFCNLSA-N 0 0 335.404 2.747 10 5 EFBERN COC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1C ZINC001466562569 1396762192 /nfs/dbraw/zinc/76/21/92/1396762192.db2.gz OYZPTCJKIWVDPD-UHFFFAOYSA-N 0 0 335.341 2.586 10 5 EFBERN O=Cc1cncc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC001466565421 1396762945 /nfs/dbraw/zinc/76/29/45/1396762945.db2.gz CUTGOBRZMKEWHB-UHFFFAOYSA-N 0 0 325.324 2.607 10 5 EFBERN Cc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC001466629202 1396767019 /nfs/dbraw/zinc/76/70/19/1396767019.db2.gz AJWXLAKCZPWXRI-UHFFFAOYSA-N 0 0 348.380 2.946 10 5 EFBERN CC(C)C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)n1ccnc1 ZINC001466635487 1396767982 /nfs/dbraw/zinc/76/79/82/1396767982.db2.gz JAAMWKQCXHYFLT-AWEZNQCLSA-N 0 0 342.359 2.894 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOc2ncccc2C1 ZINC001466695189 1396773795 /nfs/dbraw/zinc/77/37/95/1396773795.db2.gz QOJPHBRPTNOYPA-UHFFFAOYSA-N 0 0 333.731 2.678 10 5 EFBERN Cc1ccccc1C1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001466757687 1396780503 /nfs/dbraw/zinc/78/05/03/1396780503.db2.gz ZEESJCCBMFRBFD-UHFFFAOYSA-N 0 0 340.383 2.900 10 5 EFBERN CC(=O)Nc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc1 ZINC001466814049 1396787463 /nfs/dbraw/zinc/78/74/63/1396787463.db2.gz HSRZEBKAGFCWFT-UHFFFAOYSA-N 0 0 328.328 2.817 10 5 EFBERN COc1cccc(Cl)c1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001466886823 1396794286 /nfs/dbraw/zinc/79/42/86/1396794286.db2.gz YFHJXRNCMTZMAQ-UHFFFAOYSA-N 0 0 345.142 2.563 10 5 EFBERN Cc1c(F)ccc(N)c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001466903271 1396795060 /nfs/dbraw/zinc/79/50/60/1396795060.db2.gz NKTOHMFHUNXHLJ-UHFFFAOYSA-N 0 0 345.330 2.528 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CC1CCCC1 ZINC001467417844 1396852964 /nfs/dbraw/zinc/85/29/64/1396852964.db2.gz JMPOZHMENXUFSK-CYBMUJFWSA-N 0 0 336.388 2.665 10 5 EFBERN CC(C)(C)CC[C@@H](CO)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001467489800 1396861232 /nfs/dbraw/zinc/86/12/32/1396861232.db2.gz XEMYUGRYMPKSJZ-AWEZNQCLSA-N 0 0 340.395 2.970 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001467560905 1396871093 /nfs/dbraw/zinc/87/10/93/1396871093.db2.gz NLOZBPZZICQJCF-WCFLWFBJSA-N 0 0 328.372 2.914 10 5 EFBERN Cc1c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cnn1C1CCCC1 ZINC001467585810 1396873952 /nfs/dbraw/zinc/87/39/52/1396873952.db2.gz DSQQOBTXMSNMTO-UHFFFAOYSA-N 0 0 338.755 2.844 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC001467682905 1396884887 /nfs/dbraw/zinc/88/48/87/1396884887.db2.gz HIQHCOFAMLLSCO-LLVKDONJSA-N 0 0 348.334 2.532 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(-c2ccccn2)s1 ZINC001467915363 1396909137 /nfs/dbraw/zinc/90/91/37/1396909137.db2.gz NMYMGBIFEIUPIY-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN COc1cccc([C@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)c1 ZINC001468073267 1396924680 /nfs/dbraw/zinc/92/46/80/1396924680.db2.gz IVJCEQCGLSSGGY-HDJSIYSDSA-N 0 0 341.367 2.983 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001468236535 1396936435 /nfs/dbraw/zinc/93/64/35/1396936435.db2.gz ZHFIGCNEQHIUOG-VXGBXAGGSA-N 0 0 329.360 2.880 10 5 EFBERN CCc1noc(C)c1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001468313577 1396944256 /nfs/dbraw/zinc/94/42/56/1396944256.db2.gz LWFOHCYDMBZPST-UHFFFAOYSA-N 0 0 337.763 2.966 10 5 EFBERN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2F)cnn1C1CCOCC1 ZINC001468397539 1396952975 /nfs/dbraw/zinc/95/29/75/1396952975.db2.gz HQAPOLBJPAFGPI-UHFFFAOYSA-N 0 0 348.334 2.843 10 5 EFBERN O=C(Nc1ccc2oc(CO)cc2c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001468449355 1396959288 /nfs/dbraw/zinc/95/92/88/1396959288.db2.gz HLHQGIHXRGMPSA-INIZCTEOSA-N 0 0 342.307 2.505 10 5 EFBERN CC(C)(NC(=O)c1cccc2[nH]c(=O)[nH]c21)c1ccccc1[N+](=O)[O-] ZINC001468485633 1396961282 /nfs/dbraw/zinc/96/12/82/1396961282.db2.gz UXGLLBNCEWSJBE-UHFFFAOYSA-N 0 0 340.339 2.842 10 5 EFBERN COc1c(C(=O)Nc2cccc(C(C)=O)c2O)cccc1[N+](=O)[O-] ZINC001468602421 1396971115 /nfs/dbraw/zinc/97/11/15/1396971115.db2.gz YJZFCCNGSHEUSN-UHFFFAOYSA-N 0 0 330.296 2.764 10 5 EFBERN Nc1ccc(NC(=O)C(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC001468691995 1396980338 /nfs/dbraw/zinc/98/03/38/1396980338.db2.gz MEEPJFHBESCOHL-UHFFFAOYSA-N 0 0 325.733 2.713 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001469264949 1397016838 /nfs/dbraw/zinc/01/68/38/1397016838.db2.gz PBYZBKUOQKEBFN-DOTOQJQBSA-N 0 0 348.305 2.866 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2c1cccc2OC ZINC001469379687 1397027743 /nfs/dbraw/zinc/02/77/43/1397027743.db2.gz RWRXKYSFJATLFJ-UHFFFAOYSA-N 0 0 341.327 2.545 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)c1cc(C)cc([N+](=O)[O-])c1N)C2 ZINC001469462234 1397032569 /nfs/dbraw/zinc/03/25/69/1397032569.db2.gz YSEDENHXXPAGBG-UHFFFAOYSA-N 0 0 327.340 2.650 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H]1C(F)(F)F ZINC001469551729 1397037102 /nfs/dbraw/zinc/03/71/02/1397037102.db2.gz TVTMYSOZOYSDDV-LLVKDONJSA-N 0 0 338.669 2.538 10 5 EFBERN CCC1(O)CCC(NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001469588703 1397040895 /nfs/dbraw/zinc/04/08/95/1397040895.db2.gz GYIJJDBZFBVKKO-UHFFFAOYSA-N 0 0 335.404 2.786 10 5 EFBERN O=C(NCc1ccc(Cl)c(Cl)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001470186693 1397079770 /nfs/dbraw/zinc/07/97/70/1397079770.db2.gz CRJWNYQZQYFHDR-UHFFFAOYSA-N 0 0 342.138 2.932 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3ccc(O)cc32)c1 ZINC001470247655 1397081316 /nfs/dbraw/zinc/08/13/16/1397081316.db2.gz ANPDRWQMWKSOEX-HNNXBMFYSA-N 0 0 328.324 2.726 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1nc(C)c(C)o1 ZINC001470257126 1397082576 /nfs/dbraw/zinc/08/25/76/1397082576.db2.gz QTZNOBRYSDBIRZ-UHFFFAOYSA-N 0 0 336.279 2.549 10 5 EFBERN O=C(N1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)C1(O)CCC1 ZINC001470301363 1397084416 /nfs/dbraw/zinc/08/44/16/1397084416.db2.gz IKSGOMOALODYKB-UHFFFAOYSA-N 0 0 340.326 2.814 10 5 EFBERN O=C(NCC1=CCCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001470363148 1397088233 /nfs/dbraw/zinc/08/82/33/1397088233.db2.gz XXBPEUBEOGOEQD-UHFFFAOYSA-N 0 0 344.415 2.927 10 5 EFBERN COc1cncc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC001470552647 1397098129 /nfs/dbraw/zinc/09/81/29/1397098129.db2.gz UVLLIMCHGPEHQK-UHFFFAOYSA-N 0 0 333.369 2.650 10 5 EFBERN COc1cncc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC001470552255 1397098347 /nfs/dbraw/zinc/09/83/47/1397098347.db2.gz RYJCJPCIKABHOU-UHFFFAOYSA-N 0 0 333.369 2.650 10 5 EFBERN Cc1c[nH]c(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001470658548 1397107137 /nfs/dbraw/zinc/10/71/37/1397107137.db2.gz PEOOIGGLLHSXKE-UHFFFAOYSA-N 0 0 329.143 2.863 10 5 EFBERN COCc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC001470778937 1397120327 /nfs/dbraw/zinc/12/03/27/1397120327.db2.gz IFVVKTFQQAHDLV-UHFFFAOYSA-N 0 0 331.328 2.584 10 5 EFBERN CCc1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC001470812083 1397124522 /nfs/dbraw/zinc/12/45/22/1397124522.db2.gz PZNRCQCDSIJSOT-UHFFFAOYSA-N 0 0 326.715 2.603 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001471014017 1397134129 /nfs/dbraw/zinc/13/41/29/1397134129.db2.gz YJOLZPFTSJWZKN-AWEZNQCLSA-N 0 0 345.742 2.541 10 5 EFBERN CC(C)Oc1cc(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001471071388 1397138195 /nfs/dbraw/zinc/13/81/95/1397138195.db2.gz CUTXEMCFHHGCCF-NSHDSACASA-N 0 0 344.371 2.865 10 5 EFBERN C/C(=C\c1ccco1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001471122092 1397142682 /nfs/dbraw/zinc/14/26/82/1397142682.db2.gz BRBVECDSSFSJLT-XLNAKTSKSA-N 0 0 330.340 2.615 10 5 EFBERN Cc1ccc(O)cc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001471127261 1397143005 /nfs/dbraw/zinc/14/30/05/1397143005.db2.gz MUPHGUAJFBNTBD-MRXNPFEDSA-N 0 0 341.323 2.741 10 5 EFBERN Cc1ccc(O)cc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001471127259 1397143799 /nfs/dbraw/zinc/14/37/99/1397143799.db2.gz MUPHGUAJFBNTBD-INIZCTEOSA-N 0 0 341.323 2.741 10 5 EFBERN O=C(Nc1cccc(F)c1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001471166160 1397147127 /nfs/dbraw/zinc/14/71/27/1397147127.db2.gz ASEKHKPGVFIQDS-UHFFFAOYSA-N 0 0 342.286 2.878 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC001471237780 1397152621 /nfs/dbraw/zinc/15/26/21/1397152621.db2.gz NKEZSLQMJVBNBW-MKPLZMMCSA-N 0 0 349.309 2.657 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001471321073 1397159608 /nfs/dbraw/zinc/15/96/08/1397159608.db2.gz JMGCLKRWSCJBIE-MLGOLLRUSA-N 0 0 329.356 2.689 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC001471322094 1397160082 /nfs/dbraw/zinc/16/00/82/1397160082.db2.gz PNNWUHDUXKULSA-GGZOMVNGSA-N 0 0 349.309 2.657 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NCC[C@@H]1C[C@H]1C1CC1 ZINC001471342983 1397163137 /nfs/dbraw/zinc/16/31/37/1397163137.db2.gz FLHWQKFWSLXRGA-KGLIPLIRSA-N 0 0 332.404 2.742 10 5 EFBERN O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cc2ccccc2s1 ZINC001471376088 1397166650 /nfs/dbraw/zinc/16/66/50/1397166650.db2.gz SPNASIPIZUKYOE-UHFFFAOYSA-N 0 0 329.337 2.750 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NC2([C@@H]3CCCCO3)CCC2)c1[N+](=O)[O-] ZINC001471429876 1397171259 /nfs/dbraw/zinc/17/12/59/1397171259.db2.gz FMODVMGSJKPNJA-NSHDSACASA-N 0 0 336.392 2.663 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001471458169 1397173478 /nfs/dbraw/zinc/17/34/78/1397173478.db2.gz ADCSTMYBSUVAEI-UHFFFAOYSA-N 0 0 346.314 2.664 10 5 EFBERN C[C@@H](CNC(=O)N(C)Cc1cccc(=O)[nH]1)c1ccccc1[N+](=O)[O-] ZINC001471466092 1397174193 /nfs/dbraw/zinc/17/41/93/1397174193.db2.gz RSPGQQPDRJODIV-LBPRGKRZSA-N 0 0 344.371 2.641 10 5 EFBERN C[C@@H](CNC(=O)N[C@@H](C1CC1)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC001471464873 1397174539 /nfs/dbraw/zinc/17/45/39/1397174539.db2.gz MADHDLRVVCGEBL-LRDDRELGSA-N 0 0 349.431 2.795 10 5 EFBERN C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)Cc2cncnc21 ZINC001471466757 1397174741 /nfs/dbraw/zinc/17/47/41/1397174741.db2.gz AWTXTKBYLMDGNP-LLVKDONJSA-N 0 0 344.396 2.623 10 5 EFBERN O=C(NC[C@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001471492083 1397176960 /nfs/dbraw/zinc/17/69/60/1397176960.db2.gz WSPAJFRUPYIHMD-SECBINFHSA-N 0 0 347.749 2.565 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1O ZINC001471637264 1397190287 /nfs/dbraw/zinc/19/02/87/1397190287.db2.gz WWCGSBVYHDFLAN-UHFFFAOYSA-N 0 0 331.328 2.837 10 5 EFBERN COc1c(C(=O)N2CCCC[C@@H]2c2ncccn2)cccc1[N+](=O)[O-] ZINC001471668342 1397196363 /nfs/dbraw/zinc/19/63/63/1397196363.db2.gz QERKJQIGIVYLQS-CQSZACIVSA-N 0 0 342.355 2.761 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](O)c1ccccc1 ZINC001471741260 1397203119 /nfs/dbraw/zinc/20/31/19/1397203119.db2.gz KFTZEENWMCGFBF-ZBFHGGJFSA-N 0 0 347.346 2.558 10 5 EFBERN C[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC001471801120 1397208647 /nfs/dbraw/zinc/20/86/47/1397208647.db2.gz WIDKMJVGBOEDOC-LLVKDONJSA-N 0 0 337.339 2.871 10 5 EFBERN O=C(Cc1cccs1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471819212 1397211319 /nfs/dbraw/zinc/21/13/19/1397211319.db2.gz QTLBNCLQLFECQL-UHFFFAOYSA-N 0 0 344.396 2.824 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)c1[N+](=O)[O-] ZINC001471831216 1397213113 /nfs/dbraw/zinc/21/31/13/1397213113.db2.gz VOWIPSHBJPXLMJ-ZWNOBZJWSA-N 0 0 348.334 2.643 10 5 EFBERN COc1cc(C(=O)Nc2c[nH]nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001471838886 1397214604 /nfs/dbraw/zinc/21/46/04/1397214604.db2.gz VRHWLYRVICXFED-UHFFFAOYSA-N 0 0 330.222 2.598 10 5 EFBERN Cc1nc([C@H]2CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])[nH]c1C ZINC001471859552 1397215909 /nfs/dbraw/zinc/21/59/09/1397215909.db2.gz BOJUCWHLOGRXKJ-CQSZACIVSA-N 0 0 346.362 2.980 10 5 EFBERN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[nH]c1C ZINC001471859566 1397216223 /nfs/dbraw/zinc/21/62/23/1397216223.db2.gz BTIVNPYBXQCYFQ-AWEZNQCLSA-N 0 0 346.362 2.980 10 5 EFBERN Cc1ccnc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1C1CC1 ZINC001471886711 1397219324 /nfs/dbraw/zinc/21/93/24/1397219324.db2.gz IZDIHGOFWBZROQ-OAHLLOKOSA-N 0 0 327.340 2.848 10 5 EFBERN Cc1ccnc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C1CC1 ZINC001471886710 1397219399 /nfs/dbraw/zinc/21/93/99/1397219399.db2.gz IZDIHGOFWBZROQ-HNNXBMFYSA-N 0 0 327.340 2.848 10 5 EFBERN CCN(C(=O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC001471890220 1397219672 /nfs/dbraw/zinc/21/96/72/1397219672.db2.gz ASADAAPFOCFNNJ-UHFFFAOYSA-N 0 0 345.330 2.517 10 5 EFBERN C[S@](=O)(=NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001471988029 1397231565 /nfs/dbraw/zinc/23/15/65/1397231565.db2.gz FXHHNDHJKUYQCW-LFVRLGFBSA-N 0 0 340.401 2.585 10 5 EFBERN CC(C)[S@](C)(=O)=NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001471987683 1397231572 /nfs/dbraw/zinc/23/15/72/1397231572.db2.gz ADUJYSMAGYNWRN-QHCPKHFHSA-N 0 0 336.373 2.631 10 5 EFBERN Cc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)ccc1[N+](=O)[O-] ZINC001472109211 1397249419 /nfs/dbraw/zinc/24/94/19/1397249419.db2.gz JNPHBYNYCPLLQY-SSDOTTSWSA-N 0 0 343.265 2.531 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C)C(OCC)OCC)cc1[N+](=O)[O-] ZINC001472450743 1397260784 /nfs/dbraw/zinc/26/07/84/1397260784.db2.gz NAXFVJKFXNCZPP-LLVKDONJSA-N 0 0 340.376 2.511 10 5 EFBERN COC(=O)Cc1ccc(NCc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC001472639238 1397264861 /nfs/dbraw/zinc/26/48/61/1397264861.db2.gz MXYHHTGBHNSZNZ-UHFFFAOYSA-N 0 0 340.339 2.570 10 5 EFBERN CCn1c2ccccc2nc(N(C)Cc2ccccc2[N+](=O)[O-])c1=O ZINC001472653139 1397266557 /nfs/dbraw/zinc/26/65/57/1397266557.db2.gz JNZWZFZHIFJIGA-UHFFFAOYSA-N 0 0 338.367 2.961 10 5 EFBERN COc1cccc([C@@H](C)Sc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC001472726002 1397268254 /nfs/dbraw/zinc/26/82/54/1397268254.db2.gz VEQDPNUYJGBNGV-SECBINFHSA-N 0 0 333.369 2.951 10 5 EFBERN Cc1cc(C)c(C(=O)N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)o1 ZINC001472946689 1397270693 /nfs/dbraw/zinc/27/06/93/1397270693.db2.gz QLNXIVDGALLPLL-UHFFFAOYSA-N 0 0 349.412 2.824 10 5 EFBERN Cc1cc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC001472950402 1397271067 /nfs/dbraw/zinc/27/10/67/1397271067.db2.gz WNBTXFMGSZAXBW-UHFFFAOYSA-N 0 0 343.383 2.763 10 5 EFBERN C[C@@]1(c2ccsc2)NC(=O)N(Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC001472984678 1397276708 /nfs/dbraw/zinc/27/67/08/1397276708.db2.gz NZCBVTYNBPXMSL-HNNXBMFYSA-N 0 0 349.343 2.763 10 5 EFBERN Cc1cc(=O)n(Cc2cnc(N(C)C)c3ccccc23)cc1[N+](=O)[O-] ZINC001473005249 1397277234 /nfs/dbraw/zinc/27/72/34/1397277234.db2.gz JPFYECXQULOWHL-UHFFFAOYSA-N 0 0 338.367 2.727 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(Cl)cn1 ZINC001473020242 1397277931 /nfs/dbraw/zinc/27/79/31/1397277931.db2.gz KZOSGDZQLOPKHX-UHFFFAOYSA-N 0 0 332.703 2.508 10 5 EFBERN CC(=O)c1ccc(OCc2ccc3oc(=O)n(C)c3c2)c([N+](=O)[O-])c1 ZINC001473009418 1397277950 /nfs/dbraw/zinc/27/79/50/1397277950.db2.gz GPBRTROMMBZIHX-UHFFFAOYSA-N 0 0 342.307 2.821 10 5 EFBERN Cc1cc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)sn1 ZINC001473009719 1397277998 /nfs/dbraw/zinc/27/79/98/1397277998.db2.gz USYHMCKAYFNMFM-UHFFFAOYSA-N 0 0 344.190 2.641 10 5 EFBERN COc1ccc(OCCn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC001473026908 1397278692 /nfs/dbraw/zinc/27/86/92/1397278692.db2.gz OICKGMWSXMCOBG-UHFFFAOYSA-N 0 0 330.296 2.590 10 5 EFBERN Nc1ccn(Cc2cc3ccccc3nc2Cl)c(=O)c1[N+](=O)[O-] ZINC001473057882 1397279806 /nfs/dbraw/zinc/27/98/06/1397279806.db2.gz KQTWMUUIMBXCIU-UHFFFAOYSA-N 0 0 330.731 2.589 10 5 EFBERN O=[N+]([O-])c1cccc(CN(CC[S@](=O)C(F)(F)F)C2CC2)c1 ZINC001473233614 1397291247 /nfs/dbraw/zinc/29/12/47/1397291247.db2.gz RXAXJMRGZAJPRY-QFIPXVFZSA-N 0 0 336.335 2.828 10 5 EFBERN CCOC(=O)[C@@H](CC)N(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001473399565 1397300278 /nfs/dbraw/zinc/30/02/78/1397300278.db2.gz VMIWDOHSAYJXHY-MRXNPFEDSA-N 0 0 336.388 2.780 10 5 EFBERN CC(C)CN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1=O ZINC001473411253 1397300981 /nfs/dbraw/zinc/30/09/81/1397300981.db2.gz UUXVHORJMFMQDF-GFCCVEGCSA-N 0 0 339.823 2.937 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CO)c3cc(F)ccc3F)nc2c1 ZINC001473884274 1397343851 /nfs/dbraw/zinc/34/38/51/1397343851.db2.gz FORRNMNAIAOQAW-OAHLLOKOSA-N 0 0 348.309 2.573 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCc3cc(O)ccc3C2)c([N+](=O)[O-])c1 ZINC001473902534 1397348695 /nfs/dbraw/zinc/34/86/95/1397348695.db2.gz SMBXGDSKYJEWQS-UHFFFAOYSA-N 0 0 329.312 2.767 10 5 EFBERN CC(=O)c1ccc(OS(=O)(=O)c2cc(C)cs2)c([N+](=O)[O-])c1 ZINC001475124916 1397405245 /nfs/dbraw/zinc/40/52/45/1397405245.db2.gz HWURWDXTQDNSGR-UHFFFAOYSA-N 0 0 341.366 2.935 10 5 EFBERN CC(=O)c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC001475642572 1397443690 /nfs/dbraw/zinc/44/36/90/1397443690.db2.gz MRQAAPZCEIOCCF-UHFFFAOYSA-N 0 0 339.300 2.704 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC(Oc2ccccc2)C1 ZINC001478359955 1397577229 /nfs/dbraw/zinc/57/72/29/1397577229.db2.gz CMAMDRDQTYLHAN-UHFFFAOYSA-N 0 0 341.367 2.610 10 5 EFBERN COc1cccnc1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001478830291 1397591669 /nfs/dbraw/zinc/59/16/69/1397591669.db2.gz SDMJJVIWWDYCHP-LLVKDONJSA-N 0 0 330.344 2.559 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001479027216 1397603013 /nfs/dbraw/zinc/60/30/13/1397603013.db2.gz ZYSYRLOSRYEMAT-HZSPNIEDSA-N 0 0 332.404 2.742 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC001479122738 1397610470 /nfs/dbraw/zinc/61/04/70/1397610470.db2.gz TWVFPGYFFGMMPV-HNNXBMFYSA-N 0 0 335.404 2.644 10 5 EFBERN C[C@@H](NC(=O)NC[C@@]1(C)CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC001479212880 1397620281 /nfs/dbraw/zinc/62/02/81/1397620281.db2.gz KDIVHYDWRZJHMO-ISTRZQFTSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001479297442 1397670569 /nfs/dbraw/zinc/67/05/69/1397670569.db2.gz SIOMRTLDVGPSGH-BZNIZROVSA-N 0 0 347.346 2.828 10 5 EFBERN CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001479445760 1397726960 /nfs/dbraw/zinc/72/69/60/1397726960.db2.gz ITHFXQFPOXGNKT-GZBFAFLISA-N 0 0 337.420 2.795 10 5 EFBERN CC(C)C(C)(C)C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001480361668 1398177417 /nfs/dbraw/zinc/17/74/17/1398177417.db2.gz TTWUOAJGNOMGRQ-UHFFFAOYSA-N 0 0 333.432 2.921 10 5 EFBERN CCCN(CCNC(=O)c1cc(F)c[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001493308184 1398603225 /nfs/dbraw/zinc/60/32/25/1398603225.db2.gz TZPWJJORPJWQOS-UHFFFAOYSA-N 0 0 348.378 2.704 10 5 EFBERN C[C@H](c1ccccc1)N(CCO)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001546238313 1399162644 /nfs/dbraw/zinc/16/26/44/1399162644.db2.gz INYFDTJVZHPWHY-CQSZACIVSA-N 0 0 344.367 2.556 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2csc(N(C)C)n2)c1C ZINC001546251090 1400504928 /nfs/dbraw/zinc/50/49/28/1400504928.db2.gz DKFWGVNVAXLFAZ-UHFFFAOYSA-N 0 0 348.428 2.707 10 5 EFBERN CC(C)N(CCN(C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccon1 ZINC001507767043 1407149587 /nfs/dbraw/zinc/14/95/87/1407149587.db2.gz NEYLFTZCNMGSED-UHFFFAOYSA-N 0 0 346.387 2.565 10 5 EFBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)OC ZINC001501859260 1403834002 /nfs/dbraw/zinc/83/40/02/1403834002.db2.gz ZRKVUFGEAAIGFO-GFCCVEGCSA-N 0 0 333.392 2.734 10 5 EFBERN CS[C@H](C)Cn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001505159985 1404531433 /nfs/dbraw/zinc/53/14/33/1404531433.db2.gz IDWHDTQRDMMBEF-LLVKDONJSA-N 0 0 347.444 2.809 10 5 EFBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1nc2ccccc2[nH]1 ZINC001546292540 1404531817 /nfs/dbraw/zinc/53/18/17/1404531817.db2.gz MFNBDBKKUDERCM-ZDUSSCGKSA-N 0 0 339.355 2.934 10 5 EFBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001555761668 1415042754 /nfs/dbraw/zinc/04/27/54/1415042754.db2.gz YKAGKSKMJFVBEL-DGCLKSJQSA-N 0 0 349.366 2.989 10 5 EFBERN CS[C@H](C)Cn1c(C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001555831378 1415045647 /nfs/dbraw/zinc/04/56/47/1415045647.db2.gz DPUMZTSRVQLEAO-GFCCVEGCSA-N 0 0 349.460 2.925 10 5 EFBERN CCc1[nH]c(=O)c(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1C ZINC001556205191 1415058845 /nfs/dbraw/zinc/05/88/45/1415058845.db2.gz STYPAXLQBZBRQE-UHFFFAOYSA-N 0 0 329.356 2.805 10 5 EFBERN C/C=C/C[C@@H](CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001556302249 1415062932 /nfs/dbraw/zinc/06/29/32/1415062932.db2.gz JARBMPHWFTZPST-HSWBROFVSA-N 0 0 341.367 2.714 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NN1CCCc2ccccc21 ZINC001556321015 1415064384 /nfs/dbraw/zinc/06/43/84/1415064384.db2.gz JHKSCGOTMJJQTR-UHFFFAOYSA-N 0 0 345.330 2.597 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CCO)Cc1ccccc1 ZINC001556341425 1415064660 /nfs/dbraw/zinc/06/46/60/1415064660.db2.gz HLWBHPZXFXALCY-CQSZACIVSA-N 0 0 346.358 2.766 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C)=C(Br)C2)n1 ZINC001556389801 1415067133 /nfs/dbraw/zinc/06/71/33/1415067133.db2.gz GLKNRLWJKTWTHC-UHFFFAOYSA-N 0 0 340.177 2.813 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCc2nc(N)sc2C1 ZINC001556569229 1415076194 /nfs/dbraw/zinc/07/61/94/1415076194.db2.gz RXODXIWJGBFSAL-JTQLQIEISA-N 0 0 346.412 2.538 10 5 EFBERN CCn1cc([C@H](C)NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cn1 ZINC001556594833 1415077874 /nfs/dbraw/zinc/07/78/74/1415077874.db2.gz JJXNUASIBSYBNI-QMMMGPOBSA-N 0 0 337.767 2.538 10 5 EFBERN CCC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001556610962 1415079282 /nfs/dbraw/zinc/07/92/82/1415079282.db2.gz XUHYSGLYFFEOTK-HNNXBMFYSA-N 0 0 342.355 2.569 10 5 EFBERN Nc1c(C(=O)NCCC[C@@H]2CCOC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001556628842 1415079710 /nfs/dbraw/zinc/07/97/10/1415079710.db2.gz GYIFLSMXOBOOMJ-MRVPVSSYSA-N 0 0 345.758 2.516 10 5 EFBERN CC[C@@H]1C[C@H]1CNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001556677544 1415081705 /nfs/dbraw/zinc/08/17/05/1415081705.db2.gz JGYCTUJTHBTWAH-APPZFPTMSA-N 0 0 342.193 2.715 10 5 EFBERN O=C(COc1ccsn1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001556677402 1415081715 /nfs/dbraw/zinc/08/17/15/1415081715.db2.gz GQMJDAXKAZHKPL-CYBMUJFWSA-N 0 0 347.396 2.836 10 5 EFBERN Cc1ccncc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001556713025 1415083621 /nfs/dbraw/zinc/08/36/21/1415083621.db2.gz COZRUKYCUSUTOP-UHFFFAOYSA-N 0 0 327.340 2.578 10 5 EFBERN Cc1c(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cccc1-c1ncco1 ZINC001556826200 1415090284 /nfs/dbraw/zinc/09/02/84/1415090284.db2.gz DNPDGHRURNLODZ-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN Cc1cc(C(=O)NCc2cc(F)cnc2Cl)c(N)c([N+](=O)[O-])c1 ZINC001556830577 1415090915 /nfs/dbraw/zinc/09/09/15/1415090915.db2.gz JWOMNVVRMMXESA-UHFFFAOYSA-N 0 0 338.726 2.603 10 5 EFBERN O=C(Nc1ccc(Cl)cc1OCC(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC001556837721 1415091117 /nfs/dbraw/zinc/09/11/17/1415091117.db2.gz IXTSONCXXSMNNN-UHFFFAOYSA-N 0 0 346.677 2.868 10 5 EFBERN Nc1ccc(NC(=O)c2nscc2Br)cc1[N+](=O)[O-] ZINC001556894420 1415094016 /nfs/dbraw/zinc/09/40/16/1415094016.db2.gz GUMCMTLTHXAKAD-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN Cc1csc(NCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001556945668 1415097357 /nfs/dbraw/zinc/09/73/57/1415097357.db2.gz PQNXPYQUKYPBJG-UHFFFAOYSA-N 0 0 338.364 2.649 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC001556985620 1415100050 /nfs/dbraw/zinc/10/00/50/1415100050.db2.gz XEUXZVKIILTREP-XMMPIXPASA-N 0 0 348.384 2.924 10 5 EFBERN Nc1c(C(=O)N2CC[C@@H](CCCO)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001557007194 1415101278 /nfs/dbraw/zinc/10/12/78/1415101278.db2.gz OXDRWPOIJGPQOT-GFCCVEGCSA-N 0 0 343.383 2.565 10 5 EFBERN Cc1cc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc(C)n1 ZINC001557078583 1415103667 /nfs/dbraw/zinc/10/36/67/1415103667.db2.gz DTOFJGUPMZLVJP-UHFFFAOYSA-N 0 0 334.763 2.772 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001557129142 1415106822 /nfs/dbraw/zinc/10/68/22/1415106822.db2.gz UFHSREPRARZVQQ-DOTOQJQBSA-N 0 0 329.331 2.760 10 5 EFBERN O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001557129223 1415106836 /nfs/dbraw/zinc/10/68/36/1415106836.db2.gz VBHJLQUOIIEQRT-YOEHRIQHSA-N 0 0 340.314 2.838 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001557128993 1415106875 /nfs/dbraw/zinc/10/68/75/1415106875.db2.gz REGZPICSYVFDLB-DOTOQJQBSA-N 0 0 330.315 2.727 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001557126355 1415106903 /nfs/dbraw/zinc/10/69/03/1415106903.db2.gz CWVDDGHRSRCQDF-RDJZCZTQSA-N 0 0 330.315 2.971 10 5 EFBERN COc1cc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC001557128240 1415107124 /nfs/dbraw/zinc/10/71/24/1415107124.db2.gz NLDYNQHQPSUXRZ-DOTOQJQBSA-N 0 0 330.315 2.971 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC001557173320 1415109967 /nfs/dbraw/zinc/10/99/67/1415109967.db2.gz SZOGEETYLKZNNE-UHFFFAOYSA-N 0 0 328.284 2.736 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1OCCc2ccccc21 ZINC001557173094 1415110305 /nfs/dbraw/zinc/11/03/05/1415110305.db2.gz RIFOZIJIEBIVLH-MRXNPFEDSA-N 0 0 327.340 2.889 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1OCCc2ccccc21 ZINC001557172783 1415110342 /nfs/dbraw/zinc/11/03/42/1415110342.db2.gz RIFOZIJIEBIVLH-INIZCTEOSA-N 0 0 327.340 2.889 10 5 EFBERN COC(=O)c1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001557176032 1415110835 /nfs/dbraw/zinc/11/08/35/1415110835.db2.gz VEPVQTGAKDQBPM-UHFFFAOYSA-N 0 0 340.335 2.580 10 5 EFBERN O=C(CCc1ccc(O)cc1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001557208616 1415112804 /nfs/dbraw/zinc/11/28/04/1415112804.db2.gz UJMSOKLLVISRPP-UHFFFAOYSA-N 0 0 336.294 2.828 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC001557209109 1415113078 /nfs/dbraw/zinc/11/30/78/1415113078.db2.gz TZSRWMKYIINVDI-ZDUSSCGKSA-N 0 0 326.356 2.592 10 5 EFBERN Cn1ccnc1-c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC001557215858 1415113895 /nfs/dbraw/zinc/11/38/95/1415113895.db2.gz ZBUZRWUQUSJRQW-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cc2n(n1)CCCC2 ZINC001557277131 1415117207 /nfs/dbraw/zinc/11/72/07/1415117207.db2.gz KHTNRQPTCOPSHB-UHFFFAOYSA-N 0 0 332.335 2.505 10 5 EFBERN C[C@@](CO)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001557284711 1415117370 /nfs/dbraw/zinc/11/73/70/1415117370.db2.gz ZRDCERBTAUOXOB-KRWDZBQOSA-N 0 0 348.786 2.815 10 5 EFBERN CC(C)(C)OC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1N)C1CCC1 ZINC001557292287 1415118278 /nfs/dbraw/zinc/11/82/78/1415118278.db2.gz DKTZZFAQYASFOB-UHFFFAOYSA-N 0 0 349.387 2.513 10 5 EFBERN CC(C)c1ccc(C(=O)NCc2cn(C3CCC3)nn2)cc1[N+](=O)[O-] ZINC001557302725 1415118779 /nfs/dbraw/zinc/11/87/79/1415118779.db2.gz SOKSILRVOLFVCI-UHFFFAOYSA-N 0 0 343.387 2.965 10 5 EFBERN COc1ccc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)nc1 ZINC001557424437 1415125002 /nfs/dbraw/zinc/12/50/02/1415125002.db2.gz OCIUXICGGGUUJB-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN Nc1c(C(=O)Nc2cnn(CCF)c2)cc2ccccc2c1[N+](=O)[O-] ZINC001557511911 1415129079 /nfs/dbraw/zinc/12/90/79/1415129079.db2.gz DNSMRBGEHSDBBT-UHFFFAOYSA-N 0 0 343.318 2.749 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)c2ccc(F)cc2F)c1 ZINC001557617346 1415134070 /nfs/dbraw/zinc/13/40/70/1415134070.db2.gz PBDATGOVLMLKMH-CQSZACIVSA-N 0 0 336.294 2.645 10 5 EFBERN COc1cncc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001557690266 1415137928 /nfs/dbraw/zinc/13/79/28/1415137928.db2.gz ZGWDCCJXDZWQFG-UHFFFAOYSA-N 0 0 335.747 2.511 10 5 EFBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cnn(C(F)F)c1 ZINC001557800392 1415146276 /nfs/dbraw/zinc/14/62/76/1415146276.db2.gz ICARENLZYBGKJY-UHFFFAOYSA-N 0 0 348.668 2.909 10 5 EFBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC001557800588 1415146522 /nfs/dbraw/zinc/14/65/22/1415146522.db2.gz QKUOPYRUOSDJBJ-UHFFFAOYSA-N 0 0 327.674 2.851 10 5 EFBERN Cc1ccc(CNC(=O)[C@](C)(O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001557985668 1415153718 /nfs/dbraw/zinc/15/37/18/1415153718.db2.gz QUCGTVVMQSJQQK-QGZVFWFLSA-N 0 0 332.331 2.566 10 5 EFBERN CCOc1n[nH]c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC001558011130 1415155218 /nfs/dbraw/zinc/15/52/18/1415155218.db2.gz DHGHGWIZQWEXEQ-UHFFFAOYSA-N 0 0 333.348 2.661 10 5 EFBERN CCC[C@@H](C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001558141975 1415161876 /nfs/dbraw/zinc/16/18/76/1415161876.db2.gz KEVZCRMVGRBPKR-GFCCVEGCSA-N 0 0 336.392 2.659 10 5 EFBERN CC(=O)c1c(C)cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1C ZINC001558149057 1415162514 /nfs/dbraw/zinc/16/25/14/1415162514.db2.gz VMKGVJBOVFGTRI-UHFFFAOYSA-N 0 0 329.312 2.767 10 5 EFBERN O=C(N[C@@]1(c2ccccc2)C[C@@H](O)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001558235308 1415167455 /nfs/dbraw/zinc/16/74/55/1415167455.db2.gz YBGBZQQDWGITPX-XFHMXUHZSA-N 0 0 330.315 2.514 10 5 EFBERN Cc1cc(F)ccc1[C@@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001558264111 1415168808 /nfs/dbraw/zinc/16/88/08/1415168808.db2.gz ZVVSRMQABRGNNC-SSDOTTSWSA-N 0 0 326.715 2.910 10 5 EFBERN CCc1nccn1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001558291710 1415170551 /nfs/dbraw/zinc/17/05/51/1415170551.db2.gz QEAVHPNCKYXAHN-UHFFFAOYSA-N 0 0 336.779 2.746 10 5 EFBERN CC(C)CO[C@@H](C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001558316743 1415171896 /nfs/dbraw/zinc/17/18/96/1415171896.db2.gz ZHRHTSHXPMBBBW-LBPRGKRZSA-N 0 0 348.403 2.581 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001558327558 1415173722 /nfs/dbraw/zinc/17/37/22/1415173722.db2.gz YBKHALLCHYZABF-XHDPSFHLSA-N 0 0 349.293 2.518 10 5 EFBERN COc1ccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])n[nH]3)cs2)cc1 ZINC001558335551 1415174450 /nfs/dbraw/zinc/17/44/50/1415174450.db2.gz HRJGLOZGYYCZIT-UHFFFAOYSA-N 0 0 345.340 2.702 10 5 EFBERN CCc1cc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)ccc1Br ZINC001558336947 1415174800 /nfs/dbraw/zinc/17/48/00/1415174800.db2.gz SYTDRGJRPPULJO-UHFFFAOYSA-N 0 0 339.149 2.895 10 5 EFBERN CNc1ccc(C(=O)NCc2c(C)cc(CO)cc2C)cc1[N+](=O)[O-] ZINC001558431355 1415178604 /nfs/dbraw/zinc/17/86/04/1415178604.db2.gz LGUJUAMPSOGDED-UHFFFAOYSA-N 0 0 343.383 2.676 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ncon2)C1 ZINC001558449047 1415179810 /nfs/dbraw/zinc/17/98/10/1415179810.db2.gz DKRNOYIOMAJDKU-GFCCVEGCSA-N 0 0 330.344 2.614 10 5 EFBERN Cc1ccc(C(=O)NCC(=O)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC001558519830 1415184753 /nfs/dbraw/zinc/18/47/53/1415184753.db2.gz DFONVVWPKRKNOD-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN Cc1cc(C(=O)NCC(=O)c2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC001558519756 1415185006 /nfs/dbraw/zinc/18/50/06/1415185006.db2.gz AXQDYWYWCSWGPT-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)C1 ZINC001558545302 1415187871 /nfs/dbraw/zinc/18/78/71/1415187871.db2.gz IUHQKUSCIZFYMH-MRVPVSSYSA-N 0 0 333.222 2.527 10 5 EFBERN COc1nscc1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001558565930 1415189811 /nfs/dbraw/zinc/18/98/11/1415189811.db2.gz QOCIBSHUNSTQMI-VMPITWQZSA-N 0 0 333.369 2.732 10 5 EFBERN COc1nscc1CN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001558565931 1415189974 /nfs/dbraw/zinc/18/99/74/1415189974.db2.gz QOCIBSHUNSTQMI-YVMONPNESA-N 0 0 333.369 2.732 10 5 EFBERN CC(C)(C)c1ccc(C(=O)NC2(c3ncon3)CC2)cc1[N+](=O)[O-] ZINC001558568874 1415190736 /nfs/dbraw/zinc/19/07/36/1415190736.db2.gz MVSLWTNBUUBWEA-UHFFFAOYSA-N 0 0 330.344 2.694 10 5 EFBERN CC(F)(F)CN1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001558585506 1415191262 /nfs/dbraw/zinc/19/12/62/1415191262.db2.gz CJPCXRAXMDCAPS-UHFFFAOYSA-N 0 0 347.749 2.661 10 5 EFBERN COc1ccc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c(N)c1F ZINC001558603461 1415191958 /nfs/dbraw/zinc/19/19/58/1415191958.db2.gz RLDBDLYMOUIPJC-JTQLQIEISA-N 0 0 347.346 2.858 10 5 EFBERN Cc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)c(N)c1[N+](=O)[O-] ZINC001558676151 1415194079 /nfs/dbraw/zinc/19/40/79/1415194079.db2.gz OFAFRJXDNJUTRC-UHFFFAOYSA-N 0 0 342.355 2.717 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(C3CC3)[nH]c2=O)c(N)c1[N+](=O)[O-] ZINC001558676782 1415194722 /nfs/dbraw/zinc/19/47/22/1415194722.db2.gz PLNVBBLGYZAGLF-UHFFFAOYSA-N 0 0 328.328 2.716 10 5 EFBERN C[C@@H](O)C(C)(C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001558686033 1415195616 /nfs/dbraw/zinc/19/56/16/1415195616.db2.gz IMHBXUYLSJLPQK-NXEZZACHSA-N 0 0 344.795 2.539 10 5 EFBERN Nc1c(C(=O)NCCCOc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001558717401 1415196976 /nfs/dbraw/zinc/19/69/76/1415196976.db2.gz MMKODBLBEPGYMI-UHFFFAOYSA-N 0 0 333.319 2.515 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Cl)cc2c[nH]nc21 ZINC001558756339 1415199374 /nfs/dbraw/zinc/19/93/74/1415199374.db2.gz WKZGAIKNXCSANE-UHFFFAOYSA-N 0 0 348.750 2.658 10 5 EFBERN Cc1ccc(C(=O)NCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)s1 ZINC001558807377 1415203588 /nfs/dbraw/zinc/20/35/88/1415203588.db2.gz AQPAEUGKDKGOIA-UHFFFAOYSA-N 0 0 333.369 2.642 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NN2C[C@@H]3CCC[C@H]3C2)c1F ZINC001558872821 1415207748 /nfs/dbraw/zinc/20/77/48/1415207748.db2.gz PYTBEXFGPWBYKK-UWVGGRQHSA-N 0 0 325.315 2.558 10 5 EFBERN COc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC001558902986 1415210425 /nfs/dbraw/zinc/21/04/25/1415210425.db2.gz JUYVWMDGUGHTBN-UHFFFAOYSA-N 0 0 344.323 2.911 10 5 EFBERN Cc1nc(N[C@H](c2nccn2C)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001559058080 1415222356 /nfs/dbraw/zinc/22/23/56/1415222356.db2.gz YKDLLPBGGFVAFX-AWEZNQCLSA-N 0 0 342.334 2.767 10 5 EFBERN COc1ccc(OC)c(CCNc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001559080697 1415223473 /nfs/dbraw/zinc/22/34/73/1415223473.db2.gz RBQOPKODQNXKFV-UHFFFAOYSA-N 0 0 337.763 2.737 10 5 EFBERN O=C(CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])NC1CCCCC1 ZINC001559083528 1415223612 /nfs/dbraw/zinc/22/36/12/1415223612.db2.gz KWRKCFMLDOWLLZ-UHFFFAOYSA-N 0 0 346.362 2.565 10 5 EFBERN COC(=O)Cc1ccc(NCc2ccc(OC)c(O)c2)c([N+](=O)[O-])c1 ZINC001559088846 1415223634 /nfs/dbraw/zinc/22/36/34/1415223634.db2.gz PWXDNKIBZAQMGV-UHFFFAOYSA-N 0 0 346.339 2.637 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2nc(-c3cccc(Cl)c3)no2)n1 ZINC001559110271 1415224370 /nfs/dbraw/zinc/22/43/70/1415224370.db2.gz WCCHUTRKDYWIBZ-UHFFFAOYSA-N 0 0 334.723 2.644 10 5 EFBERN COC(=O)c1ccnc(Nc2ccc3c(c2)nc(C)n3C)c1[N+](=O)[O-] ZINC001559118135 1415225208 /nfs/dbraw/zinc/22/52/08/1415225208.db2.gz WQSOZRQBMJFVPH-UHFFFAOYSA-N 0 0 341.327 2.715 10 5 EFBERN Cc1ccc(CNc2nn(C)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC001559136417 1415225548 /nfs/dbraw/zinc/22/55/48/1415225548.db2.gz RTORPDXSMSMYLO-AWEZNQCLSA-N 0 0 346.387 2.807 10 5 EFBERN COC(=O)C1(CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCC1 ZINC001559130862 1415225598 /nfs/dbraw/zinc/22/55/98/1415225598.db2.gz YQLHTCPLIZURRG-UHFFFAOYSA-N 0 0 338.360 2.757 10 5 EFBERN NC(=O)C[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC001559125182 1415225713 /nfs/dbraw/zinc/22/57/13/1415225713.db2.gz GBCFFRKXMDMYNY-LBPRGKRZSA-N 0 0 338.726 2.811 10 5 EFBERN C[C@H](C[C@@H](O)c1ccco1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001559136777 1415225810 /nfs/dbraw/zinc/22/58/10/1415225810.db2.gz CVZBUCYYCPRANZ-HTQZYQBOSA-N 0 0 348.281 2.864 10 5 EFBERN CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1c([N+](=O)[O-])cnn1C ZINC001559136653 1415225987 /nfs/dbraw/zinc/22/59/87/1415225987.db2.gz ZJGHVHBEZHSFPK-LLVKDONJSA-N 0 0 341.412 2.824 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCCc2c[nH]nc21 ZINC001559133922 1415226013 /nfs/dbraw/zinc/22/60/13/1415226013.db2.gz YZCSWUMVMQHCHF-ZETCQYMHSA-N 0 0 330.270 2.560 10 5 EFBERN NC(=O)c1ccnc(S[C@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC001559135065 1415226084 /nfs/dbraw/zinc/22/60/84/1415226084.db2.gz VMIDDAPEHGPEMG-LBPRGKRZSA-N 0 0 331.353 2.705 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCSCc2ccnc(Cl)c2)n1 ZINC001559143007 1415226295 /nfs/dbraw/zinc/22/62/95/1415226295.db2.gz GEQTYCGXJKUZPT-UHFFFAOYSA-N 0 0 327.797 2.722 10 5 EFBERN COCCC(C)(C)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559163018 1415227617 /nfs/dbraw/zinc/22/76/17/1415227617.db2.gz GDFNPRMSGYBHLT-UHFFFAOYSA-N 0 0 348.359 2.948 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1nnc(C2CC2)o1 ZINC001559168999 1415228049 /nfs/dbraw/zinc/22/80/49/1415228049.db2.gz GGWCOPIKTUHEEA-UHFFFAOYSA-N 0 0 329.291 2.577 10 5 EFBERN COCC[C@@H](COC)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559205603 1415229570 /nfs/dbraw/zinc/22/95/70/1415229570.db2.gz YKBNNTSPDLLKJD-NSHDSACASA-N 0 0 339.779 2.682 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2cccnc2)c2ncccc12 ZINC001559207188 1415230395 /nfs/dbraw/zinc/23/03/95/1415230395.db2.gz DFCQWZCFBBLSQU-AWEZNQCLSA-N 0 0 338.367 2.801 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2ccnc(Cl)c2)c1[N+](=O)[O-] ZINC001559209904 1415230397 /nfs/dbraw/zinc/23/03/97/1415230397.db2.gz UEJGCYCMSJWOCZ-UHFFFAOYSA-N 0 0 336.735 2.745 10 5 EFBERN C[C@@H](O)[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1F ZINC001559227744 1415231968 /nfs/dbraw/zinc/23/19/68/1415231968.db2.gz BSDYTXUINIYKFX-QMTHXVAHSA-N 0 0 330.319 2.916 10 5 EFBERN COc1ncc(Br)cc1CNc1ccc([N+](=O)[O-])nc1 ZINC001559238453 1415232598 /nfs/dbraw/zinc/23/25/98/1415232598.db2.gz KDVMTJHBVWKSSU-UHFFFAOYSA-N 0 0 339.149 2.768 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H](O)C12CCC2 ZINC001559237395 1415232639 /nfs/dbraw/zinc/23/26/39/1415232639.db2.gz NLLXCXXUBMTBNF-RYUDHWBXSA-N 0 0 340.763 2.750 10 5 EFBERN COC(=O)c1ccnc(Nc2ccc3c(c2)COC(=O)N3)c1[N+](=O)[O-] ZINC001559237065 1415232733 /nfs/dbraw/zinc/23/27/33/1415232733.db2.gz BBPSTVPBSAQTRS-UHFFFAOYSA-N 0 0 344.283 2.582 10 5 EFBERN COc1ccc(CCNc2ncnc3cccc([N+](=O)[O-])c32)cn1 ZINC001559251866 1415233417 /nfs/dbraw/zinc/23/34/17/1415233417.db2.gz LEURWVQDNJMFDE-UHFFFAOYSA-N 0 0 325.328 2.596 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1C[C@H]1C1CCOCC1 ZINC001559264751 1415234889 /nfs/dbraw/zinc/23/48/89/1415234889.db2.gz SJMTUFMHWAVDKH-SWLSCSKDSA-N 0 0 331.347 2.931 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCCn3nncc3C2)nc1-c1ccccc1 ZINC001559281655 1415236308 /nfs/dbraw/zinc/23/63/08/1415236308.db2.gz FUMZRIPRDXRLDG-UHFFFAOYSA-N 0 0 336.355 2.659 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(NCc2cncc(F)c2)c2ccccc21 ZINC001559279770 1415236406 /nfs/dbraw/zinc/23/64/06/1415236406.db2.gz DDZZVUXEBCXCSN-UHFFFAOYSA-N 0 0 328.303 2.593 10 5 EFBERN C[C@@H](CNc1ccc(S(C)(=O)=O)cn1)c1ccccc1[N+](=O)[O-] ZINC001559291995 1415237003 /nfs/dbraw/zinc/23/70/03/1415237003.db2.gz XDBSNYSVZUHJKY-NSHDSACASA-N 0 0 335.385 2.609 10 5 EFBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ncnc4cccc([N+](=O)[O-])c43)[C@@H]2C1 ZINC001559292351 1415237070 /nfs/dbraw/zinc/23/70/70/1415237070.db2.gz NEYAUTYRTSKSBM-XZUYRWCXSA-N 0 0 342.355 2.538 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1(C2(O)CCC2)CC1 ZINC001559291327 1415237395 /nfs/dbraw/zinc/23/73/95/1415237395.db2.gz DWBAEUIHQHDONN-UHFFFAOYSA-N 0 0 334.372 2.797 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCNc1cccc(C)n1 ZINC001559286931 1415237417 /nfs/dbraw/zinc/23/74/17/1415237417.db2.gz WIJOKLODYSENEC-UHFFFAOYSA-N 0 0 344.371 2.917 10 5 EFBERN CN(C)c1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cc(C(F)(F)F)c1 ZINC001559286620 1415237507 /nfs/dbraw/zinc/23/75/07/1415237507.db2.gz ICMMZPTYZSNKHQ-UHFFFAOYSA-N 0 0 342.281 2.795 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(N)n1 ZINC001559288453 1415237523 /nfs/dbraw/zinc/23/75/23/1415237523.db2.gz DBJRVXYOOBNONP-UHFFFAOYSA-N 0 0 336.735 2.624 10 5 EFBERN C[C@@H](CC(N)=O)c1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001559289747 1415237560 /nfs/dbraw/zinc/23/75/60/1415237560.db2.gz JGZFPHPNXIEDKR-JTQLQIEISA-N 0 0 347.346 2.949 10 5 EFBERN CCOC(=O)c1ccc(NCCNc2ccc([N+](=O)[O-])cc2F)nc1 ZINC001559295591 1415237944 /nfs/dbraw/zinc/23/79/44/1415237944.db2.gz CPZHOJOUGAIBQE-UHFFFAOYSA-N 0 0 348.334 2.830 10 5 EFBERN NC(=O)c1ccc(Oc2ncnc3cccc([N+](=O)[O-])c32)c(F)c1 ZINC001559302564 1415237956 /nfs/dbraw/zinc/23/79/56/1415237956.db2.gz NBXORMPDNZSDCE-UHFFFAOYSA-N 0 0 328.259 2.568 10 5 EFBERN O=[N+]([O-])c1cc2c(cc1Oc1cc(C(F)F)ncn1)OCCO2 ZINC001559300825 1415238022 /nfs/dbraw/zinc/23/80/22/1415238022.db2.gz FONNQZFKWKHOFE-UHFFFAOYSA-N 0 0 325.227 2.886 10 5 EFBERN Cc1ccc(-c2nnc(SCc3cn(C)nc3[N+](=O)[O-])o2)cc1 ZINC001559324762 1415239465 /nfs/dbraw/zinc/23/94/65/1415239465.db2.gz GOLGKPSVXMNSMT-UHFFFAOYSA-N 0 0 331.357 2.979 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCOCC1CCCC1 ZINC001559337607 1415239674 /nfs/dbraw/zinc/23/96/74/1415239674.db2.gz QWTLABKSKVBMFX-UHFFFAOYSA-N 0 0 327.402 2.884 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCOc1cccc(F)c1 ZINC001559337524 1415239687 /nfs/dbraw/zinc/23/96/87/1415239687.db2.gz NBNHWMUDKCIRKV-UHFFFAOYSA-N 0 0 339.344 2.895 10 5 EFBERN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccnn1 ZINC001559322835 1415239806 /nfs/dbraw/zinc/23/98/06/1415239806.db2.gz AMRGOOVQUXFIGF-UHFFFAOYSA-N 0 0 347.381 2.725 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CC(=O)[C@@H]1Cc2ccccc21 ZINC001559337555 1415239842 /nfs/dbraw/zinc/23/98/42/1415239842.db2.gz OFHJIUDGZNCNRF-OAHLLOKOSA-N 0 0 345.376 2.586 10 5 EFBERN Nn1c(SCc2ccc([N+](=O)[O-])c(F)c2)nnc1-c1ccccc1 ZINC001559330433 1415239851 /nfs/dbraw/zinc/23/98/51/1415239851.db2.gz AABYZQCLLRBJRQ-UHFFFAOYSA-N 0 0 345.359 2.999 10 5 EFBERN CC(=O)c1c(C)nc(C)nc1SCCn1c(C)ncc1[N+](=O)[O-] ZINC001559357683 1415241153 /nfs/dbraw/zinc/24/11/53/1415241153.db2.gz HXBXXUIKTGSZTO-UHFFFAOYSA-N 0 0 335.389 2.501 10 5 EFBERN Cc1csc(=O)n1Cc1cc([N+](=O)[O-])ccc1Br ZINC001559368531 1415241343 /nfs/dbraw/zinc/24/13/43/1415241343.db2.gz SEFFJJLDUHFSMR-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN Cc1cc2c(ncn(CC(=O)c3ccc([N+](=O)[O-])cc3F)c2=O)s1 ZINC001559393857 1415242391 /nfs/dbraw/zinc/24/23/91/1415242391.db2.gz FQUADZKAYZJQCF-UHFFFAOYSA-N 0 0 347.327 2.697 10 5 EFBERN Cc1cc(=O)n(Cc2ccn(CCc3ccccc3)n2)cc1[N+](=O)[O-] ZINC001559386691 1415242553 /nfs/dbraw/zinc/24/25/53/1415242553.db2.gz AAFZVHIKRKAOBZ-UHFFFAOYSA-N 0 0 338.367 2.552 10 5 EFBERN Cn1c(SCc2cccc(N)c2)nc2cc([N+](=O)[O-])ccc2c1=O ZINC001559396261 1415242818 /nfs/dbraw/zinc/24/28/18/1415242818.db2.gz DRWJKUABERXMCX-UHFFFAOYSA-N 0 0 342.380 2.716 10 5 EFBERN COC(=O)c1ccc(C(=O)COc2cc(C)c([N+](=O)[O-])cc2F)o1 ZINC001559400691 1415243520 /nfs/dbraw/zinc/24/35/20/1415243520.db2.gz AUMXKVMQAVFIKB-UHFFFAOYSA-N 0 0 337.259 2.684 10 5 EFBERN CC1(C)CCC[C@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)O1 ZINC001559402553 1415243620 /nfs/dbraw/zinc/24/36/20/1415243620.db2.gz XZKCOMQXKVBVJX-CYBMUJFWSA-N 0 0 333.344 2.759 10 5 EFBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2ccc(Br)s2)n1 ZINC001559417449 1415244177 /nfs/dbraw/zinc/24/41/77/1415244177.db2.gz SOVZRPIISOKHCK-UHFFFAOYSA-N 0 0 333.123 2.572 10 5 EFBERN O=c1c2ccnc(Cl)c2ncn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001559423093 1415244507 /nfs/dbraw/zinc/24/45/07/1415244507.db2.gz FGLZDPXACSCZPA-UHFFFAOYSA-N 0 0 334.694 2.541 10 5 EFBERN Nn1c(Cc2ccccc2)nnc1S/C=C\c1ccc([N+](=O)[O-])o1 ZINC001559443934 1415246704 /nfs/dbraw/zinc/24/67/04/1415246704.db2.gz XREMPNWYGODNBK-HJWRWDBZSA-N 0 0 343.368 2.847 10 5 EFBERN CCOC(=O)[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001559684800 1415252731 /nfs/dbraw/zinc/25/27/31/1415252731.db2.gz MFESTPBKGHLGKI-MRXNPFEDSA-N 0 0 348.330 2.834 10 5 EFBERN O=[N+]([O-])c1ccc(CN(CC[S@](=O)C(F)(F)F)C2CC2)cc1 ZINC001559712961 1415253713 /nfs/dbraw/zinc/25/37/13/1415253713.db2.gz BOZCLJNYLCKMCL-QFIPXVFZSA-N 0 0 336.335 2.828 10 5 EFBERN C[C@H](NCc1cccnc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC001559730641 1415253932 /nfs/dbraw/zinc/25/39/32/1415253932.db2.gz LWCSFDQDBOGFIJ-LBPRGKRZSA-N 0 0 339.355 2.814 10 5 EFBERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001559729449 1415254009 /nfs/dbraw/zinc/25/40/09/1415254009.db2.gz YELOARMFEJFCBO-CJNGLKHVSA-N 0 0 331.416 2.994 10 5 EFBERN CC1(C)Cc2c(cnn2-c2ccccc2F)CN(CC[N+](=O)[O-])C1 ZINC001560036170 1415260893 /nfs/dbraw/zinc/26/08/93/1415260893.db2.gz UFNDETHNLHYYAI-UHFFFAOYSA-N 0 0 332.379 2.672 10 5 EFBERN Cc1nccnc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001560124250 1415264303 /nfs/dbraw/zinc/26/43/03/1415264303.db2.gz RFTLONQUAZZTBW-CHWSQXEVSA-N 0 0 343.387 2.679 10 5 EFBERN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001560230989 1415269228 /nfs/dbraw/zinc/26/92/28/1415269228.db2.gz KNNDNXFBVMDOBH-GFCCVEGCSA-N 0 0 349.460 2.895 10 5 EFBERN O=C(CN1CCc2cc(F)cc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC001560239172 1415269503 /nfs/dbraw/zinc/26/95/03/1415269503.db2.gz BJAYBLUUQZHYRX-UHFFFAOYSA-N 0 0 347.321 2.870 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@H]1CCC1(F)F ZINC001561441285 1415316121 /nfs/dbraw/zinc/31/61/21/1415316121.db2.gz VFCNUXXJBLQYNS-SECBINFHSA-N 0 0 349.311 2.551 10 5 EFBERN CC[C@@H](NC(=O)NCCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC001564376841 1415376313 /nfs/dbraw/zinc/37/63/13/1415376313.db2.gz UPKWNDXOYJVWDI-IUODEOHRSA-N 0 0 349.387 2.688 10 5 EFBERN CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC001564432043 1415377810 /nfs/dbraw/zinc/37/78/10/1415377810.db2.gz SACUWLKHENJRRC-BYCMXARLSA-N 0 0 335.404 2.762 10 5 EFBERN CC[C@H](NC(=O)N[C@@H](C)c1noc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC001564497479 1415378767 /nfs/dbraw/zinc/37/87/67/1415378767.db2.gz RWFQUHQQHCYBFI-ZANVPECISA-N 0 0 333.348 2.798 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC001564754904 1415382112 /nfs/dbraw/zinc/38/21/12/1415382112.db2.gz RBJNEBONOPJBEO-DGCLKSJQSA-N 0 0 329.360 2.605 10 5 EFBERN O=C(N[C@H](C1CC1)C1CCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001564885058 1415384924 /nfs/dbraw/zinc/38/49/24/1415384924.db2.gz YIHIVSJRIGVZFA-KRWDZBQOSA-N 0 0 345.399 2.946 10 5 EFBERN C[C@@H](NC(=O)NC[C@]1(O)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001565338391 1415393494 /nfs/dbraw/zinc/39/34/94/1415393494.db2.gz AFMBGTYNZIGNAP-SJKOYZFVSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001565412114 1415395164 /nfs/dbraw/zinc/39/51/64/1415395164.db2.gz RLFGTAOMECHOGI-LBPRGKRZSA-N 0 0 344.371 2.607 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2cncc(Cl)c2)ccc1[N+](=O)[O-] ZINC001565598920 1415406062 /nfs/dbraw/zinc/40/60/62/1415406062.db2.gz YJVYPQAZKWKKJH-UHFFFAOYSA-N 0 0 348.790 2.818 10 5 EFBERN Cc1cccnc1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001565672278 1415409949 /nfs/dbraw/zinc/40/99/49/1415409949.db2.gz TZEGUWLFHFIYDR-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN C[C@H](CC(N)=O)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001565717181 1415412682 /nfs/dbraw/zinc/41/26/82/1415412682.db2.gz QJUYIRYEXYBLRA-LLVKDONJSA-N 0 0 343.339 2.837 10 5 EFBERN C[C@](O)(CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001565790951 1415416148 /nfs/dbraw/zinc/41/61/48/1415416148.db2.gz NMNUQUZVGDXVCS-KRWDZBQOSA-N 0 0 348.786 2.815 10 5 EFBERN CC(C)[C@@H](O)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001565785463 1415416159 /nfs/dbraw/zinc/41/61/59/1415416159.db2.gz IPEYWLGEMBTNET-AWEZNQCLSA-N 0 0 328.796 2.704 10 5 EFBERN C[C@@](O)(CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001565790952 1415416160 /nfs/dbraw/zinc/41/61/60/1415416160.db2.gz NMNUQUZVGDXVCS-QGZVFWFLSA-N 0 0 348.786 2.815 10 5 EFBERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001566073350 1415504679 /nfs/dbraw/zinc/50/46/79/1415504679.db2.gz LDCLCMKBSNJUSY-QMTHXVAHSA-N 0 0 344.346 2.934 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cnn3c2NC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC001566126302 1415525121 /nfs/dbraw/zinc/52/51/21/1415525121.db2.gz MBFYRUZRFICVDC-ZYHUDNBSSA-N 0 0 343.387 2.652 10 5 EFBERN Nc1ncc(C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC001566145734 1415531783 /nfs/dbraw/zinc/53/17/83/1415531783.db2.gz ABXMYFUFJZWZMG-AWEZNQCLSA-N 0 0 348.309 2.731 10 5 EFBERN CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C12CCCC2 ZINC001566168258 1415533291 /nfs/dbraw/zinc/53/32/91/1415533291.db2.gz YYWNYMXEAJAJJH-CABCVRRESA-N 0 0 333.388 2.645 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)n1 ZINC001566208860 1415535433 /nfs/dbraw/zinc/53/54/33/1415535433.db2.gz PHCGLYMZSQQNEG-UKRRQHHQSA-N 0 0 331.372 2.662 10 5 EFBERN COc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC001566293146 1415538899 /nfs/dbraw/zinc/53/88/99/1415538899.db2.gz URDOJQWNRGLBGH-UHFFFAOYSA-N 0 0 332.331 2.910 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)n1 ZINC001566304493 1415539421 /nfs/dbraw/zinc/53/94/21/1415539421.db2.gz IXCOTXWWADBTLF-INIZCTEOSA-N 0 0 327.340 2.981 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC001566304494 1415539556 /nfs/dbraw/zinc/53/95/56/1415539556.db2.gz IXCOTXWWADBTLF-MRXNPFEDSA-N 0 0 327.340 2.981 10 5 EFBERN Cc1c2cccc(Cl)c2[nH]c1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001566321258 1415540368 /nfs/dbraw/zinc/54/03/68/1415540368.db2.gz PPLFNBILLCMSJY-UHFFFAOYSA-N 0 0 347.762 2.664 10 5 EFBERN C[C@@H]1CC[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001566345171 1415541784 /nfs/dbraw/zinc/54/17/84/1415541784.db2.gz SLUGCORHHGLRMS-VXGBXAGGSA-N 0 0 329.356 2.921 10 5 EFBERN O=C(N[C@H]1COc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001566424804 1415546191 /nfs/dbraw/zinc/54/61/91/1415546191.db2.gz CEKTWJWXEDCLJP-ZDUSSCGKSA-N 0 0 346.726 2.622 10 5 EFBERN CC[C@@H](NC(=O)c1c[nH]c(=O)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC001566438362 1415546575 /nfs/dbraw/zinc/54/65/75/1415546575.db2.gz VHBIFNNMFZAWFA-CYBMUJFWSA-N 0 0 331.328 2.585 10 5 EFBERN Cc1[nH]nc(C(F)F)c1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001566428767 1415547000 /nfs/dbraw/zinc/54/70/00/1415547000.db2.gz IUCMFJBZGMMMEL-UHFFFAOYSA-N 0 0 328.250 2.884 10 5 EFBERN CCc1nnc(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[nH]1 ZINC001566667263 1415721428 /nfs/dbraw/zinc/72/14/28/1415721428.db2.gz CWSFPJOXQWWLOJ-UHFFFAOYSA-N 0 0 348.121 2.974 10 5 EFBERN COc1ccc(NC(=O)c2cnc3cccc(C)n32)cc1[N+](=O)[O-] ZINC001566754933 1415763630 /nfs/dbraw/zinc/76/36/30/1415763630.db2.gz VKDYHCHGXZYURA-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NN1CCc2ccccc2C1=O ZINC001566764253 1415767661 /nfs/dbraw/zinc/76/76/61/1415767661.db2.gz UPDDMJXMXCYXLX-UHFFFAOYSA-N 0 0 339.351 2.555 10 5 EFBERN CO[C@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001566942115 1415860664 /nfs/dbraw/zinc/86/06/64/1415860664.db2.gz OCULHQCCOGFROY-XCBNKYQSSA-N 0 0 345.758 2.514 10 5 EFBERN CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CCO1 ZINC001566996200 1415893511 /nfs/dbraw/zinc/89/35/11/1415893511.db2.gz IMQXQAVTQRPDND-BLLLJJGKSA-N 0 0 335.404 2.891 10 5 EFBERN O=C(CC(F)(F)C(F)(F)F)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001567246076 1416012913 /nfs/dbraw/zinc/01/29/13/1416012913.db2.gz TVWUNSKYPCJRKT-UHFFFAOYSA-N 0 0 338.192 2.997 10 5 EFBERN Cc1ccc2[nH]ncc2c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001567245740 1416013124 /nfs/dbraw/zinc/01/31/24/1416013124.db2.gz KKRWJQSDEYLMAD-UHFFFAOYSA-N 0 0 336.311 2.908 10 5 EFBERN O=C(Cc1nc(C2CC2)cs1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001567245812 1416013312 /nfs/dbraw/zinc/01/33/12/1416013312.db2.gz NJOYOVDPIUATBW-UHFFFAOYSA-N 0 0 343.368 2.986 10 5 EFBERN Cc1cc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)oc1C ZINC001567277269 1416052934 /nfs/dbraw/zinc/05/29/34/1416052934.db2.gz UQLVGBWUHZFOMP-UHFFFAOYSA-N 0 0 331.372 2.666 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC001567503175 1416163623 /nfs/dbraw/zinc/16/36/23/1416163623.db2.gz OBTGFCIEECKMIU-UHFFFAOYSA-N 0 0 335.703 2.811 10 5 EFBERN CCC(O)(CC)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001567622188 1416213864 /nfs/dbraw/zinc/21/38/64/1416213864.db2.gz SLVOCVLWKMYPFY-UHFFFAOYSA-N 0 0 329.784 2.501 10 5 EFBERN Nc1ncc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001567768604 1416278009 /nfs/dbraw/zinc/27/80/09/1416278009.db2.gz WLHMHHZMNADOSJ-ZFWWWQNUSA-N 0 0 340.383 2.713 10 5 EFBERN CC(C)(C(=O)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1)C(C)(F)F ZINC001567815730 1416289868 /nfs/dbraw/zinc/28/98/68/1416289868.db2.gz WMASIIUJNWLTMN-UHFFFAOYSA-N 0 0 341.358 2.577 10 5 EFBERN COCC1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCC1 ZINC001568142870 1416424240 /nfs/dbraw/zinc/42/42/40/1416424240.db2.gz XNFTVIGPPZJLAF-UHFFFAOYSA-N 0 0 345.758 2.516 10 5 EFBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)cc1 ZINC001568275663 1416463101 /nfs/dbraw/zinc/46/31/01/1416463101.db2.gz LHYLPBLFPUPDLB-HNNXBMFYSA-N 0 0 349.774 2.948 10 5 EFBERN O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001568330422 1416478959 /nfs/dbraw/zinc/47/89/59/1416478959.db2.gz WUJVLBCLNWXNSG-GFCCVEGCSA-N 0 0 330.315 2.727 10 5 EFBERN C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC001645846149 1416571689 /nfs/dbraw/zinc/57/16/89/1416571689.db2.gz ZITXFNRMZRSLQW-MRXNPFEDSA-N 0 0 336.294 2.511 10 5 EFBERN CC(C)c1ccc(C(=O)NCC(=O)c2cncs2)cc1[N+](=O)[O-] ZINC001645894992 1416581387 /nfs/dbraw/zinc/58/13/87/1416581387.db2.gz AQGXOOUWIPYILN-UHFFFAOYSA-N 0 0 333.369 2.787 10 5 EFBERN Cc1cc(=O)[nH]c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc12 ZINC001645945880 1416590018 /nfs/dbraw/zinc/59/00/18/1416590018.db2.gz ALCRLHDVUAIMAY-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ncon2)CC1 ZINC001645968463 1416594420 /nfs/dbraw/zinc/59/44/20/1416594420.db2.gz LJDKJHFLJAAABO-UHFFFAOYSA-N 0 0 348.384 2.720 10 5 EFBERN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001646004698 1416598801 /nfs/dbraw/zinc/59/88/01/1416598801.db2.gz GGDOVLAPGLWQGW-RFAUZJTJSA-N 0 0 336.294 2.784 10 5 EFBERN CN(Cc1csc([N+](=O)[O-])c1)[C@H](c1nc[nH]n1)c1ccccc1 ZINC001646080434 1416610670 /nfs/dbraw/zinc/61/06/70/1416610670.db2.gz KVJSUBHTAGEMOJ-AWEZNQCLSA-N 0 0 329.385 2.996 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC001646123717 1416616161 /nfs/dbraw/zinc/61/61/61/1416616161.db2.gz MKEFWVCPJQMQEA-AWEZNQCLSA-N 0 0 332.278 2.539 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(c2ccccc2)CCCO1 ZINC001646194259 1416629886 /nfs/dbraw/zinc/62/98/86/1416629886.db2.gz QFIJHHPCXMYDRD-SFHVURJKSA-N 0 0 341.367 2.613 10 5 EFBERN Nc1c(C(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc(F)cc1[N+](=O)[O-] ZINC001646217615 1416634165 /nfs/dbraw/zinc/63/41/65/1416634165.db2.gz STGOXJFNSVVGAT-SGIREYDYSA-N 0 0 345.305 2.523 10 5 EFBERN Cc1nc2cc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])ccc2s1 ZINC001646229746 1416636347 /nfs/dbraw/zinc/63/63/47/1416636347.db2.gz XLKDJTDAJSZNSX-UHFFFAOYSA-N 0 0 329.341 2.742 10 5 EFBERN Cc1cc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC001646257309 1416639193 /nfs/dbraw/zinc/63/91/93/1416639193.db2.gz FFJNLMUAEAGPKS-HNNXBMFYSA-N 0 0 336.294 2.645 10 5 EFBERN CNc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc(Cl)n1 ZINC001646258368 1416639213 /nfs/dbraw/zinc/63/92/13/1416639213.db2.gz BMJDYAIAOZRGCT-UHFFFAOYSA-N 0 0 335.751 2.828 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)c(N)c1[N+](=O)[O-] ZINC001646259834 1416639642 /nfs/dbraw/zinc/63/96/42/1416639642.db2.gz RVPPWILBYWYEMJ-ISVAXAHUSA-N 0 0 329.360 2.513 10 5 EFBERN Cc1ccc(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001646260031 1416639710 /nfs/dbraw/zinc/63/97/10/1416639710.db2.gz VNNTXGUTJNOJQN-KPZWWZAWSA-N 0 0 343.383 2.979 10 5 EFBERN Cc1cccc2c1O[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N)C2 ZINC001646259088 1416639828 /nfs/dbraw/zinc/63/98/28/1416639828.db2.gz KBGZMDPUBMBBQW-ZDUSSCGKSA-N 0 0 327.340 2.736 10 5 EFBERN Cc1cccc2c1C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)CO2 ZINC001646268520 1416640688 /nfs/dbraw/zinc/64/06/88/1416640688.db2.gz URVARECZAFHMRD-LLVKDONJSA-N 0 0 330.315 2.776 10 5 EFBERN C[C@H](NC(=O)N[C@@H]1CC(C)(C)CC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001683830701 1416686148 /nfs/dbraw/zinc/68/61/48/1416686148.db2.gz YTGALWAFVROJMF-NJZAAPMLSA-N 0 0 335.404 2.895 10 5 EFBERN C[C@@H](NC(=O)NC1(c2ncccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001684042815 1416691849 /nfs/dbraw/zinc/69/18/49/1416691849.db2.gz KJTOECZAYXRFFG-GFCCVEGCSA-N 0 0 341.371 2.824 10 5 EFBERN C[C@H](CNC(=O)NCCC1(CO)CCC1)c1ccccc1[N+](=O)[O-] ZINC001684397020 1416720885 /nfs/dbraw/zinc/72/08/85/1416720885.db2.gz PRZSDXHQSFOBRI-CYBMUJFWSA-N 0 0 335.404 2.550 10 5 EFBERN Cc1ccc(CNC(=O)NCC[C@H](O)C2CCCC2)cc1[N+](=O)[O-] ZINC001684706381 1416728569 /nfs/dbraw/zinc/72/85/69/1416728569.db2.gz JAYMLICAMSZWHT-INIZCTEOSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC001684832195 1416732249 /nfs/dbraw/zinc/73/22/49/1416732249.db2.gz XJMOCGJPLDTGQO-JTQLQIEISA-N 0 0 345.359 2.721 10 5 EFBERN O=C(N[C@@H](c1ncccn1)C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001685412643 1416758660 /nfs/dbraw/zinc/75/86/60/1416758660.db2.gz KXMFKFWGLPMCJE-OAHLLOKOSA-N 0 0 339.355 2.561 10 5 EFBERN C[C@H](CNC(=O)NC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001685528969 1416766383 /nfs/dbraw/zinc/76/63/83/1416766383.db2.gz YWPPACOWVKTHRE-DYVFJYSZSA-N 0 0 343.383 2.731 10 5 EFBERN CC[C@H](C)[C@](C)(O)CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001685527994 1416766459 /nfs/dbraw/zinc/76/64/59/1416766459.db2.gz NVIPMJRUDSSVEG-GDZNZVCISA-N 0 0 337.420 2.795 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1([C@H]2CCCO2)CCC1 ZINC001685861205 1416774952 /nfs/dbraw/zinc/77/49/52/1416774952.db2.gz IMHOKQXBVIAUCU-OAHLLOKOSA-N 0 0 349.387 2.504 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001687733862 1416868826 /nfs/dbraw/zinc/86/88/26/1416868826.db2.gz WDBGTZPIDOUARP-CJNGLKHVSA-N 0 0 343.383 2.731 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001687871204 1416889568 /nfs/dbraw/zinc/88/95/68/1416889568.db2.gz NGUCQACXHBYGRZ-SECBINFHSA-N 0 0 333.348 2.582 10 5 EFBERN CC1(C)CC(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001688694654 1416995966 /nfs/dbraw/zinc/99/59/66/1416995966.db2.gz QLENJJIQKCMCBX-UHFFFAOYSA-N 0 0 331.416 2.675 10 5 EFBERN Cc1cc(F)ccc1C(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1C ZINC001689819231 1417080988 /nfs/dbraw/zinc/08/09/88/1417080988.db2.gz ICGAGVUQMKGVNS-UHFFFAOYSA-N 0 0 346.362 2.612 10 5 EFBERN CC(F)(F)CCC(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001692315191 1417275278 /nfs/dbraw/zinc/27/52/78/1417275278.db2.gz MIKOHXDKBSREJM-UHFFFAOYSA-N 0 0 341.358 2.578 10 5 EFBERN CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001693909381 1417289141 /nfs/dbraw/zinc/28/91/41/1417289141.db2.gz DFFXMBJCYZKPTB-KRWDZBQOSA-N 0 0 345.403 2.615 10 5 EFBERN CN(CCNC(=O)c1cccc(F)c1F)Cc1ccccc1[N+](=O)[O-] ZINC001713464882 1418546472 /nfs/dbraw/zinc/54/64/72/1418546472.db2.gz VTVOWPOKBBQXCT-UHFFFAOYSA-N 0 0 349.337 2.735 10 5 EFBERN CCCC(C)(C)C(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001714971525 1418643373 /nfs/dbraw/zinc/64/33/73/1418643373.db2.gz HFHPVQOOOBWQKR-UHFFFAOYSA-N 0 0 333.432 2.969 10 5 EFBERN CCC(=O)NC1(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001718000809 1419650449 /nfs/dbraw/zinc/65/04/49/1419650449.db2.gz DUHBIZYYGYXQIQ-UHFFFAOYSA-N 0 0 337.445 2.927 10 5 EFBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC(C)(C)OC ZINC001727508133 1426301570 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10 5 EFBERN CN(CCOC(=O)CCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000120897263 713512854 /nfs/dbraw/zinc/51/28/54/713512854.db2.gz CFRVGYNRMNFRAW-UHFFFAOYSA-N 0 0 329.356 2.602 10 5 EFBERN Cc1ccc(O[C@@H](C)C(=O)OC[C@H](C)[N+](=O)[O-])c(Br)c1 ZINC000813103268 713520626 /nfs/dbraw/zinc/52/06/26/713520626.db2.gz BKXWEHYZPXPBSR-UWVGGRQHSA-N 0 0 346.177 2.733 10 5 EFBERN C/C(=C\c1ccc(F)cc1)C(=O)OCCn1c(C)ncc1[N+](=O)[O-] ZINC000255140299 713884370 /nfs/dbraw/zinc/88/43/70/713884370.db2.gz VCPNPFPYDDAERL-PKNBQFBNSA-N 0 0 333.319 2.886 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000891297286 714274521 /nfs/dbraw/zinc/27/45/21/714274521.db2.gz SSPHZOBTRVDIMA-OLZOCXBDSA-N 0 0 334.372 2.673 10 5 EFBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc([N+](=O)[O-])c1 ZINC000177783669 714288063 /nfs/dbraw/zinc/28/80/63/714288063.db2.gz KPJIRXDVHXRYLY-CYBMUJFWSA-N 0 0 344.327 2.966 10 5 EFBERN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000311327113 714289095 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Cc1cn(C)nc1COc1cc([N+](=O)[O-])ccc1Br ZINC000723939820 715016440 /nfs/dbraw/zinc/01/64/40/715016440.db2.gz XIUFJAUOHKMFME-UHFFFAOYSA-N 0 0 326.150 2.978 10 5 EFBERN COc1ccc([C@@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000024311782 718024332 /nfs/dbraw/zinc/02/43/32/718024332.db2.gz FKKIPNBHJLNWLF-SECBINFHSA-N 0 0 333.319 2.816 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176245938 715191246 /nfs/dbraw/zinc/19/12/46/715191246.db2.gz MIYNEQWCCGMKGN-SNVBAGLBSA-N 0 0 348.378 2.754 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1CCc1nc(-c2cnn(CCF)c2)no1 ZINC000924401365 715222313 /nfs/dbraw/zinc/22/23/13/715222313.db2.gz LEXHYFMXZCEJCA-UHFFFAOYSA-N 0 0 349.297 2.735 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H]1CCCN(C2CC2)C1=O ZINC000924058687 715252277 /nfs/dbraw/zinc/25/22/77/715252277.db2.gz QALXWANUJIEODK-WFASDCNBSA-N 0 0 346.383 2.908 10 5 EFBERN COc1c(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)nn1C ZINC000084851916 715289420 /nfs/dbraw/zinc/28/94/20/715289420.db2.gz AEXJTVQTESFQAA-NSHDSACASA-N 0 0 333.344 2.872 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)c2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000084851891 715289472 /nfs/dbraw/zinc/28/94/72/715289472.db2.gz LEUVUQZJDCWBBF-NSHDSACASA-N 0 0 328.324 2.920 10 5 EFBERN Cc1cc(OCC(=O)OC[C@@H](F)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000800224097 715305138 /nfs/dbraw/zinc/30/51/38/715305138.db2.gz BHIABXGTXRQQBQ-SNVBAGLBSA-N 0 0 325.214 2.726 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCSC3)C2)c1C ZINC000892218784 715361248 /nfs/dbraw/zinc/36/12/48/715361248.db2.gz MOFBJEUAXUCWGX-MRXNPFEDSA-N 0 0 336.413 2.560 10 5 EFBERN CNC(=O)c1cccc(CCC(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000124694891 715473251 /nfs/dbraw/zinc/47/32/51/715473251.db2.gz YYCGGYPAEUUEHM-UHFFFAOYSA-N 0 0 342.351 2.630 10 5 EFBERN CC[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000928688069 724407363 /nfs/dbraw/zinc/40/73/63/724407363.db2.gz VCDPURXOJWDLGP-SNVBAGLBSA-N 0 0 340.351 2.832 10 5 EFBERN CC[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccc(C)cc1 ZINC000176693219 715633256 /nfs/dbraw/zinc/63/32/56/715633256.db2.gz SSBXBTXQKMATIS-ZDUSSCGKSA-N 0 0 332.360 2.622 10 5 EFBERN O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000128093778 715716340 /nfs/dbraw/zinc/71/63/40/715716340.db2.gz YNLMPEDZPHBIPF-UHFFFAOYSA-N 0 0 341.298 2.688 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724595005 715727690 /nfs/dbraw/zinc/72/76/90/715727690.db2.gz QYNOOBQVMPFMAM-JQEORGNBSA-N 0 0 343.177 2.573 10 5 EFBERN COc1cc(C(=O)OCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000121932955 715816835 /nfs/dbraw/zinc/81/68/35/715816835.db2.gz XGZGZEZLFYVRIK-UHFFFAOYSA-N 0 0 345.176 2.924 10 5 EFBERN CNC(=O)Cc1nc(COc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000178677700 715835987 /nfs/dbraw/zinc/83/59/87/715835987.db2.gz AYMOAJHPEMJJSI-UHFFFAOYSA-N 0 0 341.776 2.572 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2cc(F)ccc2F)c1 ZINC000178684398 715855501 /nfs/dbraw/zinc/85/55/01/715855501.db2.gz JWGRSOABILARCJ-UHFFFAOYSA-N 0 0 329.280 2.782 10 5 EFBERN COC(=O)/C=C\c1ccc(NC[C@H](C)Cn2ccnc2)c([N+](=O)[O-])c1 ZINC000255564202 715954806 /nfs/dbraw/zinc/95/48/06/715954806.db2.gz LTVWPSRAPQUTBT-AGLBCWCQSA-N 0 0 344.371 2.726 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894730813 722830369 /nfs/dbraw/zinc/83/03/69/722830369.db2.gz DTXXDFXNMYPCFX-SWLSCSKDSA-N 0 0 336.413 2.714 10 5 EFBERN CO[C@@]1(C(F)(F)F)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000893508543 716305639 /nfs/dbraw/zinc/30/56/39/716305639.db2.gz UWBBAPIOAAHSDA-GBXSZLQWSA-N 0 0 344.289 2.788 10 5 EFBERN Cc1cnc2n1CC[C@@H]2OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000893516607 716452654 /nfs/dbraw/zinc/45/26/54/716452654.db2.gz MJFMNAZRKKCCLC-ZDUSSCGKSA-N 0 0 333.369 2.880 10 5 EFBERN CCOc1ccc(C(=O)O[C@@H]2CCn3c(C)cnc32)cc1[N+](=O)[O-] ZINC000893516845 716472879 /nfs/dbraw/zinc/47/28/79/716472879.db2.gz BZZJHQJOFDESIU-CQSZACIVSA-N 0 0 331.328 2.800 10 5 EFBERN CCCC(=O)N1CCC[C@@H](C(=O)Oc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000125702178 716733519 /nfs/dbraw/zinc/73/35/19/716733519.db2.gz VRUHUQGQFQYPDV-CYBMUJFWSA-N 0 0 334.372 2.847 10 5 EFBERN O=C(/C=C\c1ccnc2ccccc12)OCCn1cc([N+](=O)[O-])cn1 ZINC000255590257 716761929 /nfs/dbraw/zinc/76/19/29/716761929.db2.gz ZMGYLRNGKFNLFX-WAYWQWQTSA-N 0 0 338.323 2.596 10 5 EFBERN O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)NC1CCCCC1 ZINC000135622650 716964578 /nfs/dbraw/zinc/96/45/78/716964578.db2.gz SMGROCJHIFIBRM-UHFFFAOYSA-N 0 0 340.763 2.854 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000895341698 724049243 /nfs/dbraw/zinc/04/92/43/724049243.db2.gz CKSRUKKWECLECG-UHFFFAOYSA-N 0 0 340.339 2.758 10 5 EFBERN CC(=O)c1c(NCc2nc(CN(C)C)cs2)cccc1[N+](=O)[O-] ZINC000895478898 724154730 /nfs/dbraw/zinc/15/47/30/724154730.db2.gz HEMLJWRIFYRXIJ-UHFFFAOYSA-N 0 0 334.401 2.928 10 5 EFBERN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H](C)O1 ZINC000235371414 717341708 /nfs/dbraw/zinc/34/17/08/717341708.db2.gz HXPQDPYCDUZDBT-NXEZZACHSA-N 0 0 329.194 2.967 10 5 EFBERN COc1cc(Br)n(CCOc2ccccc2[N+](=O)[O-])n1 ZINC000782344117 717371975 /nfs/dbraw/zinc/37/19/75/717371975.db2.gz WMJBJYZFHONAOZ-UHFFFAOYSA-N 0 0 342.149 2.641 10 5 EFBERN COC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000310278263 717462923 /nfs/dbraw/zinc/46/29/23/717462923.db2.gz YKKOLONPKFFUTL-UHFFFAOYSA-N 0 0 346.314 2.549 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1c(F)cccc1F ZINC000178026324 718239618 /nfs/dbraw/zinc/23/96/18/718239618.db2.gz DUQPYVUVMNWUTC-UHFFFAOYSA-N 0 0 345.279 2.649 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000892640760 718365042 /nfs/dbraw/zinc/36/50/42/718365042.db2.gz YGMCZRALZNXSNU-CORIIIEPSA-N 0 0 327.340 2.897 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](N(C)C)C(F)(F)F ZINC000926807642 718524086 /nfs/dbraw/zinc/52/40/86/718524086.db2.gz OLNNDFFNGJQKKM-LBPRGKRZSA-N 0 0 348.325 2.907 10 5 EFBERN COc1ccc(COC(=O)[C@]23CCO[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000924219160 718602538 /nfs/dbraw/zinc/60/25/38/718602538.db2.gz HDDBJOOENDQJFW-NVXWUHKLSA-N 0 0 335.356 2.996 10 5 EFBERN CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000311369800 718660848 /nfs/dbraw/zinc/66/08/48/718660848.db2.gz FQHNDNCDRWXLDQ-UHFFFAOYSA-N 0 0 328.166 2.624 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N(C)Cc1ccco1 ZINC000178266333 718829164 /nfs/dbraw/zinc/82/91/64/718829164.db2.gz KLPHGPVGQHXFRS-GFCCVEGCSA-N 0 0 329.356 2.597 10 5 EFBERN COCC1CC(OC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000893638663 718962454 /nfs/dbraw/zinc/96/24/54/718962454.db2.gz BFVAKGPWLVCVAD-UHFFFAOYSA-N 0 0 331.271 2.778 10 5 EFBERN CC[C@](C)(CO)C(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840581509 719232626 /nfs/dbraw/zinc/23/26/26/719232626.db2.gz OHNXRRNEDCURMC-CYBMUJFWSA-N 0 0 346.177 2.809 10 5 EFBERN CC[C@@](C)(CO)C(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840581511 719232656 /nfs/dbraw/zinc/23/26/56/719232656.db2.gz 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O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccc(F)cc2F)c(F)c1 ZINC001647837294 1089892419 /nfs/dbraw/zinc/89/24/19/1089892419.db2.gz ICLUECHEGOEYMM-HNNXBMFYSA-N 0 0 326.274 2.835 10 5 EFBERN CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001647877408 1089901178 /nfs/dbraw/zinc/90/11/78/1089901178.db2.gz QORWJLUEBGRVEP-XJKSGUPXSA-N 0 0 347.415 2.635 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(CC(C)(F)F)CC1 ZINC001647925339 1089910409 /nfs/dbraw/zinc/91/04/09/1089910409.db2.gz FBDYZLHKKXDKBU-UHFFFAOYSA-N 0 0 341.358 2.625 10 5 EFBERN C[C@@H](CNC(=O)Cc1n[nH]c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001647995819 1089925285 /nfs/dbraw/zinc/92/52/85/1089925285.db2.gz YDSFKMKWEBUWRK-LBPRGKRZSA-N 0 0 338.367 2.934 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1Cc2ccccc2CO1 ZINC001648098439 1089943093 /nfs/dbraw/zinc/94/30/93/1089943093.db2.gz AVJCACKNMHXMHW-LBPRGKRZSA-N 0 0 327.340 2.869 10 5 EFBERN Cc1csc(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000063134668 1089948874 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EFBERN Cc1ccc(NC(=O)c2c(C3CCC3)cnn2C)c(N)c1[N+](=O)[O-] ZINC001648298471 1089975655 /nfs/dbraw/zinc/97/56/55/1089975655.db2.gz IOIQJLIAMPUKEV-UHFFFAOYSA-N 0 0 329.360 2.739 10 5 EFBERN Cc1cn2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)cc2n1 ZINC001648298846 1089976400 /nfs/dbraw/zinc/97/64/00/1089976400.db2.gz LECVFVOCBNYNOQ-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN CC(C)Cn1cc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cn1 ZINC001620601038 1090910798 /nfs/dbraw/zinc/91/07/98/1090910798.db2.gz QDSHBYJVBSBTCY-UHFFFAOYSA-N 0 0 337.767 2.935 10 5 EFBERN CC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC001583105087 1091899970 /nfs/dbraw/zinc/89/99/70/1091899970.db2.gz VYFLOCDUIJPAKZ-YPMHNXCESA-N 0 0 341.795 2.908 10 5 EFBERN COC[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC001583128539 1091906488 /nfs/dbraw/zinc/90/64/88/1091906488.db2.gz KCPZHDQOLJVIED-HNNXBMFYSA-N 0 0 341.367 2.812 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1 ZINC001583153706 1091913978 /nfs/dbraw/zinc/91/39/78/1091913978.db2.gz FCEGZIPOIDYKNH-CXAGYDPISA-N 0 0 341.367 2.900 10 5 EFBERN CC[C@H](Oc1ccccc1F)C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001583230833 1091939004 /nfs/dbraw/zinc/93/90/04/1091939004.db2.gz CVNJBNQBUDZCOM-LBPRGKRZSA-N 0 0 349.318 2.934 10 5 EFBERN Cc1ccc(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1 ZINC001583267020 1091947304 /nfs/dbraw/zinc/94/73/04/1091947304.db2.gz HRZISCFBVQOYOM-UHFFFAOYSA-N 0 0 338.367 2.681 10 5 EFBERN CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583282897 1091951602 /nfs/dbraw/zinc/95/16/02/1091951602.db2.gz CGMWZGJSQMXKIN-TZMCWYRMSA-N 0 0 343.387 2.732 10 5 EFBERN CC[C@H]1CCC[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583282891 1091951683 /nfs/dbraw/zinc/95/16/83/1091951683.db2.gz CGMWZGJSQMXKIN-GXTWGEPZSA-N 0 0 343.387 2.732 10 5 EFBERN COc1ccc(NC(=O)[C@]2(C)COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001583289100 1091953536 /nfs/dbraw/zinc/95/35/36/1091953536.db2.gz GTDSONAQURSGJH-KRWDZBQOSA-N 0 0 344.323 2.772 10 5 EFBERN CCOc1cc(C(=O)[N-]c2nc(C3CC3)no2)c([N+](=O)[O-])cc1OC ZINC001583299800 1091956835 /nfs/dbraw/zinc/95/68/35/1091956835.db2.gz MZTNJNJXNMKZBS-UHFFFAOYSA-N 0 0 348.315 2.515 10 5 EFBERN COc1ccnc(OC)c1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001583446401 1092002397 /nfs/dbraw/zinc/00/23/97/1092002397.db2.gz QUCOOYPVLSYBMS-CHWSQXEVSA-N 0 0 343.339 2.749 10 5 EFBERN Cc1ccc(COC(=O)c2cccc(-n3ccnn3)c2)cc1[N+](=O)[O-] ZINC001583447319 1092002705 /nfs/dbraw/zinc/00/27/05/1092002705.db2.gz GESCWDCDFKKCJK-UHFFFAOYSA-N 0 0 338.323 2.841 10 5 EFBERN Cc1ccc(COC(=O)c2cccnc2-n2cccn2)cc1[N+](=O)[O-] ZINC001583447952 1092003838 /nfs/dbraw/zinc/00/38/38/1092003838.db2.gz SFJVKVTXLVIYBQ-UHFFFAOYSA-N 0 0 338.323 2.841 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccns1 ZINC001583481139 1092013001 /nfs/dbraw/zinc/01/30/01/1092013001.db2.gz FIBFJQXWUZGQFB-UHFFFAOYSA-N 0 0 325.777 2.606 10 5 EFBERN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1cscn1 ZINC001583509317 1092022339 /nfs/dbraw/zinc/02/23/39/1092022339.db2.gz GUAWFUPUPJMMEV-UHFFFAOYSA-N 0 0 342.174 2.744 10 5 EFBERN COc1ccncc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001583586716 1092045780 /nfs/dbraw/zinc/04/57/80/1092045780.db2.gz LGGWPEKACQXBQQ-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN CCC[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC001583616601 1092049477 /nfs/dbraw/zinc/04/94/77/1092049477.db2.gz YZAWDHMUSVGUIS-NSHDSACASA-N 0 0 342.417 2.554 10 5 EFBERN CC(C)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC001583625219 1092050261 /nfs/dbraw/zinc/05/02/61/1092050261.db2.gz UWSHRNVEWWFAMH-UHFFFAOYSA-N 0 0 326.303 2.882 10 5 EFBERN CN(C)c1cc(F)c(C(=O)OCc2cncs2)cc1[N+](=O)[O-] ZINC001583700319 1092058760 /nfs/dbraw/zinc/05/87/60/1092058760.db2.gz CETNCYDMLMCUBO-UHFFFAOYSA-N 0 0 325.321 2.613 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001583744869 1092063580 /nfs/dbraw/zinc/06/35/80/1092063580.db2.gz ZCSYTZWBYHBLNM-ZYHUDNBSSA-N 0 0 344.323 2.635 10 5 EFBERN CCc1cc(NC(=O)[C@H](C)[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC001583815424 1092072415 /nfs/dbraw/zinc/07/24/15/1092072415.db2.gz OYOOMVGLHVBHSH-DIFFPNOSSA-N 0 0 343.383 2.881 10 5 EFBERN COc1c(C(=O)NCc2ncc(Cl)s2)cccc1[N+](=O)[O-] ZINC001583836286 1092075007 /nfs/dbraw/zinc/07/50/07/1092075007.db2.gz CEYOPQUMUSWIHS-UHFFFAOYSA-N 0 0 327.749 2.643 10 5 EFBERN CC(=O)NC1CCC(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001583855049 1092077476 /nfs/dbraw/zinc/07/74/76/1092077476.db2.gz OVKYHMOJYJTACF-UHFFFAOYSA-N 0 0 347.415 2.641 10 5 EFBERN C[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC001583948426 1092088435 /nfs/dbraw/zinc/08/84/35/1092088435.db2.gz NJFLOKVCFVLMKN-SMDDNHRTSA-N 0 0 340.807 2.800 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc2ncccc12 ZINC001583959749 1092090118 /nfs/dbraw/zinc/09/01/18/1092090118.db2.gz ONMAOFDFPOKUGI-UHFFFAOYSA-N 0 0 337.335 2.838 10 5 EFBERN CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001583976479 1092092155 /nfs/dbraw/zinc/09/21/55/1092092155.db2.gz KPXLOQDSJJMNCJ-LBPRGKRZSA-N 0 0 326.780 2.818 10 5 EFBERN O=C(Nc1ccncc1F)c1c(Br)cccc1[N+](=O)[O-] ZINC001584008810 1092096160 /nfs/dbraw/zinc/09/61/60/1092096160.db2.gz AXOHNEZPZRJKBW-UHFFFAOYSA-N 0 0 340.108 2.566 10 5 EFBERN CNc1c(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)cccc1[N+](=O)[O-] ZINC001584055196 1092104057 /nfs/dbraw/zinc/10/40/57/1092104057.db2.gz RHWMJTXUVDPJJQ-UHFFFAOYSA-N 0 0 338.323 2.730 10 5 EFBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1cc([N+](=O)[O-])ccc1F ZINC001584054466 1092104243 /nfs/dbraw/zinc/10/42/43/1092104243.db2.gz GLQCOGNVMLPWDN-UHFFFAOYSA-N 0 0 327.271 2.828 10 5 EFBERN Cc1nc(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C)o1 ZINC001584090156 1092109120 /nfs/dbraw/zinc/10/91/20/1092109120.db2.gz WTMGYHNVRKMWJK-UHFFFAOYSA-N 0 0 342.311 2.742 10 5 EFBERN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccn1C ZINC001584158706 1092121088 /nfs/dbraw/zinc/12/10/88/1092121088.db2.gz OZNHDWWJHKVWHJ-UHFFFAOYSA-N 0 0 331.328 2.671 10 5 EFBERN CC[C@@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC001584183417 1092124179 /nfs/dbraw/zinc/12/41/79/1092124179.db2.gz GHWRUKMIOIYPJI-UONOGXRCSA-N 0 0 334.372 2.936 10 5 EFBERN C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC001584194080 1092125431 /nfs/dbraw/zinc/12/54/31/1092125431.db2.gz VNLGXJKRRHZGMC-SECBINFHSA-N 0 0 341.270 2.697 10 5 EFBERN Cc1cc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c2cnn(C)c2n1 ZINC001584212539 1092127531 /nfs/dbraw/zinc/12/75/31/1092127531.db2.gz DUTTYOYLHUQRHU-LLVKDONJSA-N 0 0 339.355 2.676 10 5 EFBERN COc1nnccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001584238076 1092130447 /nfs/dbraw/zinc/13/04/47/1092130447.db2.gz JXCOEEYSMIBKOJ-UHFFFAOYSA-N 0 0 342.233 2.665 10 5 EFBERN CC[C@@H](OC(=O)/C=C\c1ccc(C(N)=O)o1)c1cccc([N+](=O)[O-])c1 ZINC001584249937 1092132008 /nfs/dbraw/zinc/13/20/08/1092132008.db2.gz GZIYYZMAPMGFET-IUCKJTJTSA-N 0 0 344.323 2.994 10 5 EFBERN CC[C@@H](OC(=O)c1cn(C)nc1COC)c1cccc([N+](=O)[O-])c1 ZINC001584249921 1092132270 /nfs/dbraw/zinc/13/22/70/1092132270.db2.gz GVUHRKRAQJEVDV-OAHLLOKOSA-N 0 0 333.344 2.783 10 5 EFBERN O=C(Nc1ccc2scnc2c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001584267140 1092134694 /nfs/dbraw/zinc/13/46/94/1092134694.db2.gz LTHKNNFWVZEQMF-CQSZACIVSA-N 0 0 329.337 2.877 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC001584295139 1092139231 /nfs/dbraw/zinc/13/92/31/1092139231.db2.gz WUJRUOZQYFHRPX-CJNGLKHVSA-N 0 0 346.314 2.805 10 5 EFBERN C[C@H]([C@H](C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC001584365510 1092151658 /nfs/dbraw/zinc/15/16/58/1092151658.db2.gz HCUZBODMLALTOG-UONOGXRCSA-N 0 0 348.447 2.957 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CCCC1 ZINC001584473392 1092181290 /nfs/dbraw/zinc/18/12/90/1092181290.db2.gz JJEOTBQDUIRIHX-OAHLLOKOSA-N 0 0 334.372 2.755 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(Cl)n1 ZINC001584505923 1092184921 /nfs/dbraw/zinc/18/49/21/1092184921.db2.gz CRKCRJHBXFXWIW-UHFFFAOYSA-N 0 0 349.730 2.691 10 5 EFBERN CON(Cc1ccc(C)o1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001648379815 1092209138 /nfs/dbraw/zinc/20/91/38/1092209138.db2.gz VRVXHCKIHFBADY-INIZCTEOSA-N 0 0 345.355 2.665 10 5 EFBERN CCOC(=O)c1coc(N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001584589776 1092211615 /nfs/dbraw/zinc/21/16/15/1092211615.db2.gz BOFDISMOSAUGIH-JTQLQIEISA-N 0 0 347.327 2.526 10 5 EFBERN O=C1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)CN1 ZINC001648404365 1092212137 /nfs/dbraw/zinc/21/21/37/1092212137.db2.gz NBLLWAWPHSPMEZ-MRXNPFEDSA-N 0 0 345.786 2.921 10 5 EFBERN O=C(Nc1ccnn1C1CCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001648405825 1092212557 /nfs/dbraw/zinc/21/25/57/1092212557.db2.gz NVGUPQABJXIWIW-UHFFFAOYSA-N 0 0 344.356 2.773 10 5 EFBERN COc1nscc1CN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001648429514 1092215043 /nfs/dbraw/zinc/21/50/43/1092215043.db2.gz JOIGBPDCODQSGN-UHFFFAOYSA-N 0 0 329.328 2.970 10 5 EFBERN COCc1nc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cs1 ZINC001584621624 1092220776 /nfs/dbraw/zinc/22/07/76/1092220776.db2.gz CDYQWZQPWUSKSM-UHFFFAOYSA-N 0 0 344.352 2.998 10 5 EFBERN CC(C)(CCC(=O)Nc1ccccc1CN1CCCC1=O)[N+](=O)[O-] ZINC001125554815 1092230755 /nfs/dbraw/zinc/23/07/55/1092230755.db2.gz INPDGDVLSKHRPV-UHFFFAOYSA-N 0 0 333.388 2.583 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001648603416 1092237856 /nfs/dbraw/zinc/23/78/56/1092237856.db2.gz MHMLLMSQQVOQJN-CYBMUJFWSA-N 0 0 345.742 2.541 10 5 EFBERN COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001584685127 1092248778 /nfs/dbraw/zinc/24/87/78/1092248778.db2.gz FNBNRCWFUOQTGI-UHFFFAOYSA-N 0 0 334.353 2.933 10 5 EFBERN C[C@@H]1OCC[C@@]1(C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001584721597 1092261307 /nfs/dbraw/zinc/26/13/07/1092261307.db2.gz DOKQODRMKZQELU-DYZYQPBXSA-N 0 0 329.356 2.628 10 5 EFBERN Cc1nn(C)c(C(=O)Nc2nc(-c3ccccc3)co2)c1[N+](=O)[O-] ZINC001648774701 1092267354 /nfs/dbraw/zinc/26/73/54/1092267354.db2.gz PWAWDJTUORWNET-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN Cc1cccc(N(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC001584754128 1092273566 /nfs/dbraw/zinc/27/35/66/1092273566.db2.gz AYSJEHWRHQKJEI-UHFFFAOYSA-N 0 0 342.355 2.688 10 5 EFBERN Cn1cc(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])c2ccccc21 ZINC001584804724 1092291775 /nfs/dbraw/zinc/29/17/75/1092291775.db2.gz IYNSTTHLOQULSO-UHFFFAOYSA-N 0 0 338.367 2.641 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn2nccc2n1 ZINC001584808098 1092291824 /nfs/dbraw/zinc/29/18/24/1092291824.db2.gz ZWWBUKCTFDKDKY-JTQLQIEISA-N 0 0 343.368 2.757 10 5 EFBERN COc1ccnc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c1F ZINC001584867401 1092312543 /nfs/dbraw/zinc/31/25/43/1092312543.db2.gz AOXVWHHPHWAJBU-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN COC(=O)Cc1cccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC001584889010 1092317855 /nfs/dbraw/zinc/31/78/55/1092317855.db2.gz LDNOFLMZOXGAPD-UHFFFAOYSA-N 0 0 343.339 2.574 10 5 EFBERN COc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n(C)n1 ZINC001584935253 1092330345 /nfs/dbraw/zinc/33/03/45/1092330345.db2.gz XOMYWPRIWZMRKC-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001584965154 1092338944 /nfs/dbraw/zinc/33/89/44/1092338944.db2.gz WVEBHAYMIQWQQD-LSDHHAIUSA-N 0 0 339.351 2.744 10 5 EFBERN COc1ccc(OC(=O)[C@H]2Cc3cccc(C)c3O2)cc1[N+](=O)[O-] ZINC001584978677 1092343962 /nfs/dbraw/zinc/34/39/62/1092343962.db2.gz VUGBGPXAIYSQQU-OAHLLOKOSA-N 0 0 329.308 2.821 10 5 EFBERN COc1ccc(OC(=O)c2scc3c2OCCO3)cc1[N+](=O)[O-] ZINC001584978635 1092344001 /nfs/dbraw/zinc/34/40/01/1092344001.db2.gz VOTAQTAJWMIVEU-UHFFFAOYSA-N 0 0 337.309 2.655 10 5 EFBERN Cc1nocc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001585123182 1092377607 /nfs/dbraw/zinc/37/76/07/1092377607.db2.gz VLUWYBONJWLRLW-QMMMGPOBSA-N 0 0 325.708 2.951 10 5 EFBERN CC(C)(C(=O)Nc1cccc(-c2ccon2)c1)n1cc([N+](=O)[O-])cn1 ZINC001585145243 1092382830 /nfs/dbraw/zinc/38/28/30/1092382830.db2.gz VDBKYTDBDHHVTR-UHFFFAOYSA-N 0 0 341.327 2.820 10 5 EFBERN Cc1ccncc1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001585346410 1092456451 /nfs/dbraw/zinc/45/64/51/1092456451.db2.gz HKBIYEZBPLWMFW-UHFFFAOYSA-N 0 0 329.312 2.712 10 5 EFBERN CN(C)c1cc(F)cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001585381028 1092467537 /nfs/dbraw/zinc/46/75/37/1092467537.db2.gz ZQMUGFPZVCDSMC-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN COC(=O)c1oc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC001585437199 1092486220 /nfs/dbraw/zinc/48/62/20/1092486220.db2.gz FQVWZWQBOIDVIK-NSHDSACASA-N 0 0 346.339 2.816 10 5 EFBERN O=C(Nc1ccc(F)c(Br)c1F)c1c[nH]nc1[N+](=O)[O-] ZINC001585535903 1092515751 /nfs/dbraw/zinc/51/57/51/1092515751.db2.gz HRDJFOZCYXXFAE-UHFFFAOYSA-N 0 0 347.075 2.611 10 5 EFBERN CCOc1ccc(C(=O)OCc2nnc(CC)s2)cc1[N+](=O)[O-] ZINC000785110044 1092539328 /nfs/dbraw/zinc/53/93/28/1092539328.db2.gz UNMJNUDLERTTAS-UHFFFAOYSA-N 0 0 337.357 2.764 10 5 EFBERN Cn1cc(C(=O)Nc2cc(F)ccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001585669724 1092541637 /nfs/dbraw/zinc/54/16/37/1092541637.db2.gz ZIWHSDBSNLGWOB-UHFFFAOYSA-N 0 0 341.302 2.782 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001585833733 1092589815 /nfs/dbraw/zinc/58/98/15/1092589815.db2.gz RODQBESNVAOQEK-UHFFFAOYSA-N 0 0 347.302 2.957 10 5 EFBERN O=C(CCOC[C@@H]1CCCO1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585836593 1092590924 /nfs/dbraw/zinc/59/09/24/1092590924.db2.gz FLLVJHRYYNPLLK-AWEZNQCLSA-N 0 0 345.355 2.667 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585838377 1092592205 /nfs/dbraw/zinc/59/22/05/1092592205.db2.gz WXRVKIWTNALQMZ-UHFFFAOYSA-N 0 0 341.283 2.642 10 5 EFBERN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585841544 1092592358 /nfs/dbraw/zinc/59/23/58/1092592358.db2.gz JJIXQLINXNVTDL-VXGBXAGGSA-N 0 0 345.355 2.666 10 5 EFBERN O=C(Cn1ncc2cccnc21)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585847924 1092596825 /nfs/dbraw/zinc/59/68/25/1092596825.db2.gz UNUNPYSGFUYKDM-UHFFFAOYSA-N 0 0 348.322 2.526 10 5 EFBERN CCOc1cc(NC(=O)c2c(C)cc(C)oc2=O)ccc1[N+](=O)[O-] ZINC001585932110 1092623476 /nfs/dbraw/zinc/62/34/76/1092623476.db2.gz IUQAWFMIIYDVLN-UHFFFAOYSA-N 0 0 332.312 2.816 10 5 EFBERN CCOc1cc(NC(=O)c2cnc3c(cnn3C)c2)ccc1[N+](=O)[O-] ZINC001585927500 1092623676 /nfs/dbraw/zinc/62/36/76/1092623676.db2.gz YWVGYNWNSFVJFA-UHFFFAOYSA-N 0 0 341.327 2.528 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cn2c(cccc2C)n1 ZINC001586017808 1092655555 /nfs/dbraw/zinc/65/55/55/1092655555.db2.gz IOGQVUHNDFRMDX-UHFFFAOYSA-N 0 0 342.330 2.928 10 5 EFBERN C[C@H](Oc1ccccc1)C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586036538 1092663197 /nfs/dbraw/zinc/66/31/97/1092663197.db2.gz RZDGXKRWZWHYBR-JTQLQIEISA-N 0 0 332.268 2.876 10 5 EFBERN C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1nccn1C ZINC001586060456 1092670636 /nfs/dbraw/zinc/67/06/36/1092670636.db2.gz AMDUHZHZPICCJR-SSDOTTSWSA-N 0 0 326.715 2.612 10 5 EFBERN CC(C)c1ccc(C(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001586076210 1092672844 /nfs/dbraw/zinc/67/28/44/1092672844.db2.gz BGOWCIJEEYYRDR-YNEHKIRRSA-N 0 0 347.415 2.798 10 5 EFBERN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1csc(C)c1 ZINC001586117825 1092685254 /nfs/dbraw/zinc/68/52/54/1092685254.db2.gz UQCYHMJSJUGFTL-NSHDSACASA-N 0 0 337.405 2.836 10 5 EFBERN O=C(/C=C\c1ccco1)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001670738319 1092685269 /nfs/dbraw/zinc/68/52/69/1092685269.db2.gz DTTRSHNYXFMNRY-ARJAWSKDSA-N 0 0 347.396 2.701 10 5 EFBERN CCNc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-] ZINC001649810439 1092697761 /nfs/dbraw/zinc/69/77/61/1092697761.db2.gz MCOLTWSKGOSBSJ-UHFFFAOYSA-N 0 0 346.368 2.613 10 5 EFBERN CCCc1nccnc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001586210753 1092710241 /nfs/dbraw/zinc/71/02/41/1092710241.db2.gz GOCZSZSFFNUVLD-UHFFFAOYSA-N 0 0 339.355 3.000 10 5 EFBERN O=C(Nc1ccc2c(c1)CC(=O)N2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001586280618 1092718069 /nfs/dbraw/zinc/71/80/69/1092718069.db2.gz GVXOUPGDLJXRTF-CABCVRRESA-N 0 0 337.335 2.832 10 5 EFBERN Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)nn2)cc([N+](=O)[O-])c1 ZINC001586358025 1092727778 /nfs/dbraw/zinc/72/77/78/1092727778.db2.gz FIGGHPZYCMCMMI-UHFFFAOYSA-N 0 0 340.261 2.989 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOc2cc(F)ccc2C1 ZINC001586402006 1092731098 /nfs/dbraw/zinc/73/10/98/1092731098.db2.gz LTKWXEAAFCBXPD-UHFFFAOYSA-N 0 0 330.315 2.698 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOc3cc(F)c(F)cc32)n1 ZINC001586429420 1092733559 /nfs/dbraw/zinc/73/35/59/1092733559.db2.gz KRKPOCZVQKTZBP-UHFFFAOYSA-N 0 0 335.266 2.616 10 5 EFBERN O=C(c1nnc(C2CC2)o1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001586421502 1092733660 /nfs/dbraw/zinc/73/36/60/1092733660.db2.gz YWTIQZOZCURQET-OAHLLOKOSA-N 0 0 346.368 2.743 10 5 EFBERN Cc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 ZINC001586463914 1092737160 /nfs/dbraw/zinc/73/71/60/1092737160.db2.gz MGLPDFZZBIHJAZ-UHFFFAOYSA-N 0 0 328.250 2.757 10 5 EFBERN COC(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC001586496780 1092738967 /nfs/dbraw/zinc/73/89/67/1092738967.db2.gz HIOSJXPKRGOKBI-UHFFFAOYSA-N 0 0 347.352 2.507 10 5 EFBERN COc1cc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc(OC)c1 ZINC001586590339 1092745184 /nfs/dbraw/zinc/74/51/84/1092745184.db2.gz QJIHVMBZGMLZAP-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN COc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c(N)c1F ZINC001586646101 1092748403 /nfs/dbraw/zinc/74/84/03/1092748403.db2.gz ZYJKUFWDIGWSIS-UHFFFAOYSA-N 0 0 331.303 2.528 10 5 EFBERN Cc1noc(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586714227 1092753450 /nfs/dbraw/zinc/75/34/50/1092753450.db2.gz NWWQSOULXCWKHQ-UHFFFAOYSA-N 0 0 326.312 2.929 10 5 EFBERN CC(C)(C)C[C@H](O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001586750831 1092757649 /nfs/dbraw/zinc/75/76/49/1092757649.db2.gz KDPPIIUPOOADEH-NSHDSACASA-N 0 0 328.796 2.704 10 5 EFBERN COC(=O)c1cc(NC(=O)c2nc(C3CC3)cs2)cc([N+](=O)[O-])c1 ZINC001586795102 1092759154 /nfs/dbraw/zinc/75/91/54/1092759154.db2.gz FOZYVNFUJAJVLW-UHFFFAOYSA-N 0 0 347.352 2.968 10 5 EFBERN Cn1nc(C(F)(F)F)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001586795384 1092759257 /nfs/dbraw/zinc/75/92/57/1092759257.db2.gz DWYBUEBWWVVXKD-UHFFFAOYSA-N 0 0 328.250 2.528 10 5 EFBERN C[C@@H](OC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ccnn1C ZINC001586792323 1092759301 /nfs/dbraw/zinc/75/93/01/1092759301.db2.gz MFAPEJWWVCCDFQ-SNVBAGLBSA-N 0 0 340.339 2.982 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C[C@H]1C ZINC001586813912 1092760742 /nfs/dbraw/zinc/76/07/42/1092760742.db2.gz YOVGHCOBUBZFOK-NXEZZACHSA-N 0 0 347.400 2.592 10 5 EFBERN CCc1nc2c(nccc2C(=O)Nc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC001586878006 1092764236 /nfs/dbraw/zinc/76/42/36/1092764236.db2.gz UDVYKLTWXZEQGR-UHFFFAOYSA-N 0 0 325.328 2.989 10 5 EFBERN CNC(=O)Oc1cccc(OC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC001586959224 1092772344 /nfs/dbraw/zinc/77/23/44/1092772344.db2.gz MYQNXWQSXLFVJC-UHFFFAOYSA-N 0 0 330.296 2.841 10 5 EFBERN CCOc1nc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)co1 ZINC001586999671 1092775550 /nfs/dbraw/zinc/77/55/50/1092775550.db2.gz VPJPCEPCDYFRQJ-UHFFFAOYSA-N 0 0 328.284 2.782 10 5 EFBERN CC(C)COC1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC001587051679 1092778365 /nfs/dbraw/zinc/77/83/65/1092778365.db2.gz OKLYKGZTOLKDGQ-UHFFFAOYSA-N 0 0 333.388 2.666 10 5 EFBERN Cc1ccc2nc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cn2c1 ZINC001587061855 1092779474 /nfs/dbraw/zinc/77/94/74/1092779474.db2.gz NMICDINPNBHLSF-UHFFFAOYSA-N 0 0 338.367 2.866 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001587112231 1092783339 /nfs/dbraw/zinc/78/33/39/1092783339.db2.gz JVHYTSYVSKPWOI-CQSZACIVSA-N 0 0 348.309 2.731 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2c(F)cccc2F)C1 ZINC001587171626 1092790442 /nfs/dbraw/zinc/79/04/42/1092790442.db2.gz GIPXKBYXDWYRBU-UHFFFAOYSA-N 0 0 347.321 2.770 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001587316951 1092799776 /nfs/dbraw/zinc/79/97/76/1092799776.db2.gz XIONAPXQMYNDFT-UHFFFAOYSA-N 0 0 348.790 2.848 10 5 EFBERN Cc1cc(F)cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC001587295909 1092800146 /nfs/dbraw/zinc/80/01/46/1092800146.db2.gz BOGYUZJAHSPDIT-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN O=C(N[C@H](CCO)c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC001587320949 1092800295 /nfs/dbraw/zinc/80/02/95/1092800295.db2.gz NOLZXWYFONJKKP-LLVKDONJSA-N 0 0 342.710 2.834 10 5 EFBERN COc1cc(C(=O)NCc2ccc([C@H](C)O)cc2)c([N+](=O)[O-])cc1F ZINC001587328452 1092801181 /nfs/dbraw/zinc/80/11/81/1092801181.db2.gz LCLNJUXJQQSWNS-JTQLQIEISA-N 0 0 348.330 2.726 10 5 EFBERN Cc1ncncc1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001587345547 1092804208 /nfs/dbraw/zinc/80/42/08/1092804208.db2.gz UJNPKGCHTOZJAF-UHFFFAOYSA-N 0 0 339.254 2.652 10 5 EFBERN C[C@H](CC(=O)Nc1c([N+](=O)[O-])ncn1C)c1c[nH]c2ccccc21 ZINC001587348592 1092805175 /nfs/dbraw/zinc/80/51/75/1092805175.db2.gz RZBFHSQYLUGVHP-SNVBAGLBSA-N 0 0 327.344 2.942 10 5 EFBERN C[C@H](CC1CCC1)NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001587370677 1092806654 /nfs/dbraw/zinc/80/66/54/1092806654.db2.gz GVZYOXBCADHIOS-GFCCVEGCSA-N 0 0 343.387 2.543 10 5 EFBERN Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])sc1C=O ZINC001587374452 1092808223 /nfs/dbraw/zinc/80/82/23/1092808223.db2.gz YFOJRKNBIBWVLU-UHFFFAOYSA-N 0 0 333.369 2.619 10 5 EFBERN Cc1ccc(F)c(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC001587544475 1092820576 /nfs/dbraw/zinc/82/05/76/1092820576.db2.gz FSOFEHBSWOCMNT-UHFFFAOYSA-N 0 0 345.374 2.837 10 5 EFBERN COc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cnc1OC ZINC001587571612 1092824090 /nfs/dbraw/zinc/82/40/90/1092824090.db2.gz DAWCWMGGBCGUDO-UHFFFAOYSA-N 0 0 339.254 2.538 10 5 EFBERN O=C(c1cccs1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC001587575085 1092825060 /nfs/dbraw/zinc/82/50/60/1092825060.db2.gz WZSFEIGLXONGIS-UHFFFAOYSA-N 0 0 333.369 2.720 10 5 EFBERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001587624672 1092832479 /nfs/dbraw/zinc/83/24/79/1092832479.db2.gz DNVTWEPPVSXZDR-JTQLQIEISA-N 0 0 333.266 2.546 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC1(CO)CCCCCCC1 ZINC001587636389 1092834740 /nfs/dbraw/zinc/83/47/40/1092834740.db2.gz PMWZPXUESKHLPK-UHFFFAOYSA-N 0 0 349.431 2.988 10 5 EFBERN Cc1c(CC(=O)Nc2cc(OCC(C)C)ncn2)cccc1[N+](=O)[O-] ZINC001587796510 1092853260 /nfs/dbraw/zinc/85/32/60/1092853260.db2.gz QCNOTNNUBCQMFX-UHFFFAOYSA-N 0 0 344.371 2.909 10 5 EFBERN Cn1ncc(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001587802636 1092855535 /nfs/dbraw/zinc/85/55/35/1092855535.db2.gz KGEGAFWUJFPNOX-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[C@H](O)c1ccco1 ZINC001587864083 1092862699 /nfs/dbraw/zinc/86/26/99/1092862699.db2.gz DGDVUOIYQORJAP-AAEUAGOBSA-N 0 0 348.355 2.829 10 5 EFBERN Nc1c(F)cc(F)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001587892476 1092865463 /nfs/dbraw/zinc/86/54/63/1092865463.db2.gz GFROHWMMRJOTGX-UHFFFAOYSA-N 0 0 333.294 2.654 10 5 EFBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC001587890510 1092865730 /nfs/dbraw/zinc/86/57/30/1092865730.db2.gz KYDJNGWAVADLKP-CYBMUJFWSA-N 0 0 349.387 2.654 10 5 EFBERN O=C(N[C@H](c1cccs1)C1CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001587935020 1092870182 /nfs/dbraw/zinc/87/01/82/1092870182.db2.gz RSTYHOGHWMXXRL-VIFPVBQESA-N 0 0 326.765 2.914 10 5 EFBERN O=C(NCc1cc(C(F)(F)F)n[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001587986980 1092877489 /nfs/dbraw/zinc/87/74/89/1092877489.db2.gz WMRVBFLOLCAVCS-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)on1 ZINC001587987093 1092879761 /nfs/dbraw/zinc/87/97/61/1092879761.db2.gz SXUPOCHTJNAKLH-UHFFFAOYSA-N 0 0 347.327 2.919 10 5 EFBERN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001588020885 1092884643 /nfs/dbraw/zinc/88/46/43/1092884643.db2.gz GKGCEZLCXHMOTF-ZBEGNZNMSA-N 0 0 332.331 2.976 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)n1 ZINC001588021375 1092885222 /nfs/dbraw/zinc/88/52/22/1092885222.db2.gz ORXOOMSKUBITQX-MLGOLLRUSA-N 0 0 329.356 2.540 10 5 EFBERN CCC[C@]1(C)C(=O)NCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588550763 1093127425 /nfs/dbraw/zinc/12/74/25/1093127425.db2.gz LJTPVFBRTQGOLX-MENFKHAKSA-N 0 0 345.399 2.515 10 5 EFBERN Cc1ccc(CC(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001267206309 1093192965 /nfs/dbraw/zinc/19/29/65/1093192965.db2.gz VSLYCFBAEFZJKG-UHFFFAOYSA-N 0 0 341.411 2.694 10 5 EFBERN Cc1cccc(C)c1NC(=O)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC001650444759 1093248236 /nfs/dbraw/zinc/24/82/36/1093248236.db2.gz XUIIRNZUAAWUOJ-UHFFFAOYSA-N 0 0 334.763 2.733 10 5 EFBERN CC(C)c1oncc1C(=O)NCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001267224726 1093265712 /nfs/dbraw/zinc/26/57/12/1093265712.db2.gz KELQRWJGWLRUTG-UHFFFAOYSA-N 0 0 346.387 2.568 10 5 EFBERN CCOc1cc(CNc2nn(C)cc2[N+](=O)[O-])ccc1OC(F)F ZINC001650646029 1093476900 /nfs/dbraw/zinc/47/69/00/1093476900.db2.gz BFOKWCIWDVFEFQ-UHFFFAOYSA-N 0 0 342.302 2.941 10 5 EFBERN Cc1c(CC(=O)NCc2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001650731062 1093487806 /nfs/dbraw/zinc/48/78/06/1093487806.db2.gz FMLBZWLHZWHURF-UHFFFAOYSA-N 0 0 325.324 2.903 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@@H](Cc2cccnc2)C2CCCC2)c1[N+](=O)[O-] ZINC001650779723 1093493814 /nfs/dbraw/zinc/49/38/14/1093493814.db2.gz ZTAVLWNYDWZZGC-AWEZNQCLSA-N 0 0 343.387 2.553 10 5 EFBERN O=c1[nH]ccc(NC[C@H](O)c2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC001650784447 1093494531 /nfs/dbraw/zinc/49/45/31/1093494531.db2.gz LGEWHDSGJIOYSB-JTQLQIEISA-N 0 0 327.699 2.633 10 5 EFBERN COC(=O)c1cnc(N2Cc3ccc([N+](=O)[O-])cc3C2)c(Cl)c1 ZINC001650808465 1093496490 /nfs/dbraw/zinc/49/64/90/1093496490.db2.gz CWWZLLNFMNFXPB-UHFFFAOYSA-N 0 0 333.731 2.950 10 5 EFBERN O=C1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCN1C1CC1 ZINC001650815289 1093496780 /nfs/dbraw/zinc/49/67/80/1093496780.db2.gz AGRMPGVOEOLCPF-UHFFFAOYSA-N 0 0 330.171 2.713 10 5 EFBERN NC(=O)c1cc(Nc2cnn(-c3ccccc3F)c2)ccc1[N+](=O)[O-] ZINC001650837294 1093498848 /nfs/dbraw/zinc/49/88/48/1093498848.db2.gz AUVQIZZHUKDHCX-UHFFFAOYSA-N 0 0 341.302 2.762 10 5 EFBERN COc1cccc(C(=O)CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001650855680 1093499976 /nfs/dbraw/zinc/49/99/76/1093499976.db2.gz LPFCWCRVURZBLF-YFHOEESVSA-N 0 0 340.335 2.616 10 5 EFBERN COc1cc(C(=O)N[C@@H](C)CNc2ccccc2)c([N+](=O)[O-])cc1F ZINC001650862323 1093501672 /nfs/dbraw/zinc/50/16/72/1093501672.db2.gz ODONZOCLVXAVDJ-NSHDSACASA-N 0 0 347.346 2.973 10 5 EFBERN O=C(NCc1ccn2ccnc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001650876377 1093503128 /nfs/dbraw/zinc/50/31/28/1093503128.db2.gz CCGXPDCRDAZGHZ-UHFFFAOYSA-N 0 0 330.731 2.826 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc(-c2c[nH]nn2)c1 ZINC001650934186 1093511006 /nfs/dbraw/zinc/51/10/06/1093511006.db2.gz JBRKISJKJVOSAP-UHFFFAOYSA-N 0 0 341.302 2.700 10 5 EFBERN CC1(C)CCC(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC001650941096 1093511108 /nfs/dbraw/zinc/51/11/08/1093511108.db2.gz YUIVITHXXFOUNA-UHFFFAOYSA-N 0 0 349.435 2.850 10 5 EFBERN NC(=O)CCC1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001650935205 1093511206 /nfs/dbraw/zinc/51/12/06/1093511206.db2.gz YBBWAARKVKIQND-UHFFFAOYSA-N 0 0 346.362 2.764 10 5 EFBERN Cc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)ccc1C(=O)OC(C)(C)C ZINC001650937319 1093511556 /nfs/dbraw/zinc/51/15/56/1093511556.db2.gz OOOWQBQDCPDXFR-UHFFFAOYSA-N 0 0 345.359 2.974 10 5 EFBERN CCc1cnc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])o1 ZINC001650986840 1093516261 /nfs/dbraw/zinc/51/62/61/1093516261.db2.gz UOVHGBTUHJCDFK-UHFFFAOYSA-N 0 0 343.299 2.636 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCc1nc(-c2cccc(F)c2)no1 ZINC001651017446 1093518598 /nfs/dbraw/zinc/51/85/98/1093518598.db2.gz WXEPEXXAELKGRM-UHFFFAOYSA-N 0 0 349.709 2.866 10 5 EFBERN C[C@@H]1COCC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651041682 1093521092 /nfs/dbraw/zinc/52/10/92/1093521092.db2.gz DQOVNVKGCXKAOB-MNOVXSKESA-N 0 0 346.343 2.558 10 5 EFBERN Cc1nnc([C@H](C)Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])[nH]1 ZINC001651044947 1093521328 /nfs/dbraw/zinc/52/13/28/1093521328.db2.gz DWBHHXNPZYRWTO-ZETCQYMHSA-N 0 0 332.751 2.818 10 5 EFBERN CNS(=O)(=O)c1ccc(NCC2CCCCCC2)c([N+](=O)[O-])c1 ZINC001651067059 1093522909 /nfs/dbraw/zinc/52/29/09/1093522909.db2.gz HMJGCBJBQKLQCI-UHFFFAOYSA-N 0 0 341.433 2.885 10 5 EFBERN CC[C@](C)(CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])OC ZINC001651081739 1093523532 /nfs/dbraw/zinc/52/35/32/1093523532.db2.gz IVEYBIFLFBNBEF-OAHLLOKOSA-N 0 0 334.332 2.700 10 5 EFBERN COc1ccc2c(c1)CN(c1nc3ccccn3c1[N+](=O)[O-])CCO2 ZINC001651074998 1093524224 /nfs/dbraw/zinc/52/42/24/1093524224.db2.gz LZKKNFUKWNAUOK-UHFFFAOYSA-N 0 0 340.339 2.650 10 5 EFBERN Cn1cnc2cncc(C(=O)Nc3nccc4c3cccc4[N+](=O)[O-])c21 ZINC001651109123 1093527258 /nfs/dbraw/zinc/52/72/58/1093527258.db2.gz AFEOTBTUFVWDEX-UHFFFAOYSA-N 0 0 348.322 2.677 10 5 EFBERN O=C(Cc1ncccc1F)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001651109207 1093528640 /nfs/dbraw/zinc/52/86/40/1093528640.db2.gz FTEBWIALANFJFM-UHFFFAOYSA-N 0 0 326.287 2.858 10 5 EFBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1cc(Cl)no1 ZINC001651119665 1093529793 /nfs/dbraw/zinc/52/97/93/1093529793.db2.gz RZBOAVTZTJKYNG-UHFFFAOYSA-N 0 0 333.691 2.879 10 5 EFBERN COc1cccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2(C)C)c1 ZINC001651130713 1093529978 /nfs/dbraw/zinc/52/99/78/1093529978.db2.gz XIILGJSHDBCHFW-CYBMUJFWSA-N 0 0 344.371 2.735 10 5 EFBERN C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1nccc(N)n1 ZINC001651190126 1093538292 /nfs/dbraw/zinc/53/82/92/1093538292.db2.gz RQJZACKCLYGLOV-ZETCQYMHSA-N 0 0 338.165 2.903 10 5 EFBERN CN1c2ccccc2C[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC001651232757 1093542705 /nfs/dbraw/zinc/54/27/05/1093542705.db2.gz QPAYSQDDDZVHGS-ZDUSSCGKSA-N 0 0 342.311 2.503 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1ncccn1 ZINC001651244129 1093543298 /nfs/dbraw/zinc/54/32/98/1093543298.db2.gz MSMBZENZPBQCQU-CQSZACIVSA-N 0 0 344.346 2.820 10 5 EFBERN Cc1n[nH]c(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C ZINC001651279759 1093547858 /nfs/dbraw/zinc/54/78/58/1093547858.db2.gz NGGDHSNPJSJXEY-LLVKDONJSA-N 0 0 334.401 2.732 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000843617457 1093570782 /nfs/dbraw/zinc/57/07/82/1093570782.db2.gz DWNPJBHQKQMPIU-CABZTGNLSA-N 0 0 342.779 2.956 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)n2ccccc2=NC2CCCCC2)n1 ZINC000588590191 1093637856 /nfs/dbraw/zinc/63/78/56/1093637856.db2.gz GXRGZYOUZDOMFV-UHFFFAOYSA-N 0 0 343.387 2.535 10 5 EFBERN CC[C@@H](OC(=O)COc1c(C)occc1=O)c1cccc([N+](=O)[O-])c1 ZINC001267374963 1094359352 /nfs/dbraw/zinc/35/93/52/1094359352.db2.gz WKXRDXUHNSBYGE-OAHLLOKOSA-N 0 0 347.323 2.930 10 5 EFBERN CC[C@H](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(=O)OC ZINC000843620442 1094426674 /nfs/dbraw/zinc/42/66/74/1094426674.db2.gz VAEPGRNWTCKQGQ-TVQRCGJNSA-N 0 0 340.351 2.750 10 5 EFBERN Cc1cc(C(=O)NCC(=O)N(C)C[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001595010737 1094449715 /nfs/dbraw/zinc/44/97/15/1094449715.db2.gz CFKHACGGUBUJDX-ZDUSSCGKSA-N 0 0 349.431 2.774 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](O)c1ccccc1 ZINC001595022161 1094451019 /nfs/dbraw/zinc/45/10/19/1094451019.db2.gz ZXCOULSKVYRMKG-HOTGVXAUSA-N 0 0 332.331 2.976 10 5 EFBERN CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001267389081 1094461038 /nfs/dbraw/zinc/46/10/38/1094461038.db2.gz KEGHSSDYTYPZOG-CALCHBBNSA-N 0 0 331.416 2.960 10 5 EFBERN Cc1[nH]nc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1-c1cccnc1 ZINC001595330880 1094462049 /nfs/dbraw/zinc/46/20/49/1094462049.db2.gz KIKOLEBMNDQXCK-UHFFFAOYSA-N 0 0 337.339 2.870 10 5 EFBERN COc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c([N+](=O)[O-])cc1F ZINC001595377598 1094463004 /nfs/dbraw/zinc/46/30/04/1094463004.db2.gz IHNDILQVCGNQCQ-UHFFFAOYSA-N 0 0 330.275 2.823 10 5 EFBERN Cc1ccn2ncnc2c1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001595401742 1094465650 /nfs/dbraw/zinc/46/56/50/1094465650.db2.gz FEYWNKOOZWWXME-UONOGXRCSA-N 0 0 337.339 2.688 10 5 EFBERN Cn1cc(C(F)F)c(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001595489642 1094472656 /nfs/dbraw/zinc/47/26/56/1094472656.db2.gz ZMWVTMDOINOOIM-UHFFFAOYSA-N 0 0 344.705 2.849 10 5 EFBERN COc1cc(OC)cc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001595522707 1094475473 /nfs/dbraw/zinc/47/54/73/1094475473.db2.gz VVWZOGRCYUZDLF-SNVBAGLBSA-N 0 0 332.312 2.925 10 5 EFBERN CCOC(=O)c1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cn1 ZINC001595520873 1094475773 /nfs/dbraw/zinc/47/57/73/1094475773.db2.gz RWNMYVIPELUWGZ-UHFFFAOYSA-N 0 0 347.302 2.866 10 5 EFBERN CCC[C@H](OCC)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001595682714 1094483944 /nfs/dbraw/zinc/48/39/44/1094483944.db2.gz IMLDDWMMDPFNFI-HNNXBMFYSA-N 0 0 348.403 2.725 10 5 EFBERN C[C@H]1CC[C@@H](C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001595676926 1094484254 /nfs/dbraw/zinc/48/42/54/1094484254.db2.gz RQYULVPXSPMUMH-NWDGAFQWSA-N 0 0 330.388 2.956 10 5 EFBERN COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)ccc1O ZINC001595735147 1094488087 /nfs/dbraw/zinc/48/80/87/1094488087.db2.gz KXUUANFHUZQETH-UHFFFAOYSA-N 0 0 336.731 2.892 10 5 EFBERN O=C(CSc1nccc2ccccc21)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001595863911 1094499615 /nfs/dbraw/zinc/49/96/15/1094499615.db2.gz IBUXRCXOBFDPHP-UHFFFAOYSA-N 0 0 329.341 2.597 10 5 EFBERN CC1(C)OC[C@H](/C=C\C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC001596061325 1094511065 /nfs/dbraw/zinc/51/10/65/1094511065.db2.gz ANPRJTBMHASQAD-RNZFLTOJSA-N 0 0 340.763 2.572 10 5 EFBERN C[NH+](C)Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC001596061891 1094511362 /nfs/dbraw/zinc/51/13/62/1094511362.db2.gz QFDGTEOVISCTAN-UHFFFAOYSA-N 0 0 348.790 2.635 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001596209942 1094519174 /nfs/dbraw/zinc/51/91/74/1094519174.db2.gz GOAWULKGEFCDSE-SECBINFHSA-N 0 0 329.312 2.574 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccn2c1nc(C)cc2C ZINC001596210604 1094519395 /nfs/dbraw/zinc/51/93/95/1094519395.db2.gz NWQPUKDPOKLVJD-UHFFFAOYSA-N 0 0 341.327 2.515 10 5 EFBERN CCOc1cccc(CCC(=O)Nc2ncc([N+](=O)[O-])cc2OC)c1 ZINC001596210701 1094519620 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CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2ccnc3OC)n1 ZINC001596661395 1094540352 /nfs/dbraw/zinc/54/03/52/1094540352.db2.gz BTFCUAOREFDKMN-UHFFFAOYSA-N 0 0 341.327 2.620 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)n1 ZINC001596710442 1094543098 /nfs/dbraw/zinc/54/30/98/1094543098.db2.gz AGKGKLXGFOTYIG-ZFWWWQNUSA-N 0 0 342.399 2.981 10 5 EFBERN O=C(Nc1nc2c(s1)CCc1sccc1-2)c1n[nH]cc1[N+](=O)[O-] ZINC001596752895 1094545249 /nfs/dbraw/zinc/54/52/49/1094545249.db2.gz MEDREPHXOXBZRD-UHFFFAOYSA-N 0 0 347.381 2.854 10 5 EFBERN COc1ccc2c(c1)[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])CCC2 ZINC001596748241 1094545877 /nfs/dbraw/zinc/54/58/77/1094545877.db2.gz IKOOIKWDNCGIKH-HNNXBMFYSA-N 0 0 341.367 2.993 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2ncon2)C1 ZINC001596850941 1094549083 /nfs/dbraw/zinc/54/90/83/1094549083.db2.gz ZDNOPUQXSFKUEN-LBPRGKRZSA-N 0 0 330.344 2.614 10 5 EFBERN Cc1nccnc1N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001596882205 1094550498 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EFBERN C[C@H](COc1ccc(F)cc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001597151396 1094567266 /nfs/dbraw/zinc/56/72/66/1094567266.db2.gz QNHGEZPUSZOMMO-SNVBAGLBSA-N 0 0 333.319 2.513 10 5 EFBERN CCC(CC)c1nnc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001597170037 1094568450 /nfs/dbraw/zinc/56/84/50/1094568450.db2.gz CENHNGFRVCBOSJ-UHFFFAOYSA-N 0 0 344.784 2.979 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccnn1C ZINC001597281696 1094576690 /nfs/dbraw/zinc/57/66/90/1094576690.db2.gz PYJKTGXBSCAZOO-CQSZACIVSA-N 0 0 332.335 2.753 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1cccc(=O)[nH]1 ZINC001597312923 1094579876 /nfs/dbraw/zinc/57/98/76/1094579876.db2.gz RDTZRLIPMXHIEF-UHFFFAOYSA-N 0 0 335.747 2.598 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cnccn3)C2)cc1Cl ZINC001597501425 1094592892 /nfs/dbraw/zinc/59/28/92/1094592892.db2.gz CTKUDVAWHXJLDG-NSHDSACASA-N 0 0 346.774 2.976 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cnccn3)C2)c1C ZINC001597502790 1094595005 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CC(C)(CC(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001481622775 1095836584 /nfs/dbraw/zinc/83/65/84/1095836584.db2.gz DTDQTDLYIHNVBN-UHFFFAOYSA-N 0 0 345.443 2.969 10 5 EFBERN Cc1sc(C(=O)N[C@@H](C)C(=O)OC2CCCC2)cc1[N+](=O)[O-] ZINC000178557916 1095937817 /nfs/dbraw/zinc/93/78/17/1095937817.db2.gz OGYBIAQCMQCJRF-QMMMGPOBSA-N 0 0 326.374 2.569 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@]2(CCSC2)C1 ZINC000843629002 1096021087 /nfs/dbraw/zinc/02/10/87/1096021087.db2.gz LVOQNUGSHPHWJJ-CQSZACIVSA-N 0 0 342.804 2.596 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@]2(CCSC2)C1 ZINC000843628770 1096032812 /nfs/dbraw/zinc/03/28/12/1096032812.db2.gz KMWLZVIQZCMNOK-AWEZNQCLSA-N 0 0 342.804 2.596 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000843631955 1096095099 /nfs/dbraw/zinc/09/50/99/1096095099.db2.gz KBRRRKUPLONLSZ-SSDOTTSWSA-N 0 0 331.275 2.833 10 5 EFBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1F ZINC000827979296 1096175534 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EFBERN C[C@H](O)C(C)(C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001603142397 1096458611 /nfs/dbraw/zinc/45/86/11/1096458611.db2.gz RNQJIVGNWRBFTE-JTQLQIEISA-N 0 0 349.412 2.855 10 5 EFBERN C[C@@H]1CC(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001603608512 1096565686 /nfs/dbraw/zinc/56/56/86/1096565686.db2.gz NDBPGDIAIHUXRO-HTQZYQBOSA-N 0 0 327.768 2.516 10 5 EFBERN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001607511330 1097647016 /nfs/dbraw/zinc/64/70/16/1097647016.db2.gz GAGWZZHUPXUXGA-UHFFFAOYSA-N 0 0 328.284 2.706 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1 ZINC001607511939 1097647873 /nfs/dbraw/zinc/64/78/73/1097647873.db2.gz MOTWQEPMWKHKLJ-UHFFFAOYSA-N 0 0 343.339 2.768 10 5 EFBERN CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001608034662 1097811255 /nfs/dbraw/zinc/81/12/55/1097811255.db2.gz MSYGFSILTXWTNP-JTQLQIEISA-N 0 0 343.811 2.804 10 5 EFBERN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 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CN(Cc1ccc(Cl)nc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001623306398 1099573015 /nfs/dbraw/zinc/57/30/15/1099573015.db2.gz JUUSQLBILNDTBH-UHFFFAOYSA-N 0 0 337.738 2.983 10 5 EFBERN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001623630596 1099609676 /nfs/dbraw/zinc/60/96/76/1099609676.db2.gz QMOJSYJIJLJFJS-HWPZZCPQSA-N 0 0 347.346 2.558 10 5 EFBERN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001623630600 1099609988 /nfs/dbraw/zinc/60/99/88/1099609988.db2.gz QMOJSYJIJLJFJS-QFYYESIMSA-N 0 0 347.346 2.558 10 5 EFBERN COc1cc(OC)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C=O ZINC001623660944 1099612762 /nfs/dbraw/zinc/61/27/62/1099612762.db2.gz SHVBTWFETVMNOY-UHFFFAOYSA-N 0 0 344.323 2.985 10 5 EFBERN Cc1cc(N(C)C)cc(C)c1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001623694171 1099616517 /nfs/dbraw/zinc/61/65/17/1099616517.db2.gz UGXJIONHUQPEAI-UHFFFAOYSA-N 0 0 330.344 2.631 10 5 EFBERN CCc1ccc(C(=O)Nc2cn(-c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001623760903 1099622764 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O=C(OCc1cnc(C2CC2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001624235969 1099674626 /nfs/dbraw/zinc/67/46/26/1099674626.db2.gz AABMYZQCHTZCFG-UHFFFAOYSA-N 0 0 333.256 2.725 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCOc1ccc(F)cc1 ZINC001624417003 1099690476 /nfs/dbraw/zinc/69/04/76/1099690476.db2.gz JCJHSAQSPFGSCW-UHFFFAOYSA-N 0 0 336.294 2.611 10 5 EFBERN Nc1c(F)c(Cl)ccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001624458066 1099694719 /nfs/dbraw/zinc/69/47/19/1099694719.db2.gz NQPUMTJJFBXLSN-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001624526144 1099702836 /nfs/dbraw/zinc/70/28/36/1099702836.db2.gz BHUDNFUNYIFLFW-CQSZACIVSA-N 0 0 339.395 2.971 10 5 EFBERN Cc1ccc(CNC(=O)CCNC(=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001624526240 1099702844 /nfs/dbraw/zinc/70/28/44/1099702844.db2.gz HSJMDQGSZFUUJT-UHFFFAOYSA-N 0 0 347.415 2.606 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ncnc2[nH]ccc21 ZINC001624567443 1099707026 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346.339 2.767 10 5 EFBERN Cc1cc2cc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)ccc2[nH]c1=O ZINC001624799292 1099734067 /nfs/dbraw/zinc/73/40/67/1099734067.db2.gz ZFJZWNQTXHETNP-UHFFFAOYSA-N 0 0 338.323 2.579 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(N)=O)cc2)c1C ZINC001624834206 1099737254 /nfs/dbraw/zinc/73/72/54/1099737254.db2.gz BPSNERFWGRQXJA-UHFFFAOYSA-N 0 0 328.328 2.955 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC001624832022 1099737816 /nfs/dbraw/zinc/73/78/16/1099737816.db2.gz XYVMZUVBXIBARO-INIZCTEOSA-N 0 0 342.351 2.937 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccccc1 ZINC001125911161 1099742528 /nfs/dbraw/zinc/74/25/28/1099742528.db2.gz JHUZOCLODLISNF-UHFFFAOYSA-N 0 0 332.287 2.838 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC2(CCC2)C1 ZINC001624915913 1099747958 /nfs/dbraw/zinc/74/79/58/1099747958.db2.gz PCQMEWTWNLVBSZ-UHFFFAOYSA-N 0 0 338.791 2.820 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1c[nH]c2ccccc12 ZINC001624943834 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EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc2n[nH]nc2cc1F ZINC001625615125 1099831997 /nfs/dbraw/zinc/83/19/97/1099831997.db2.gz BGGFSNUCHQJXAQ-UHFFFAOYSA-N 0 0 329.291 2.874 10 5 EFBERN C=C=CCNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001625629913 1099834214 /nfs/dbraw/zinc/83/42/14/1099834214.db2.gz MOLIGMCLSDJZIN-NSHDSACASA-N 0 0 333.241 2.978 10 5 EFBERN Nc1ncc(C(=O)NCc2ccc(C3CC3)cc2F)cc1[N+](=O)[O-] ZINC001625678624 1099839253 /nfs/dbraw/zinc/83/92/53/1099839253.db2.gz BDHUZQQPVHFIGL-UHFFFAOYSA-N 0 0 330.319 2.519 10 5 EFBERN CN(C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001625720949 1099842512 /nfs/dbraw/zinc/84/25/12/1099842512.db2.gz ZAPBXGKIQSPGCW-UHFFFAOYSA-N 0 0 348.746 2.597 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc(Cl)cc2OC)c1[N+](=O)[O-] ZINC001625725360 1099843183 /nfs/dbraw/zinc/84/31/83/1099843183.db2.gz LKHNPZGBRVZXSG-UHFFFAOYSA-N 0 0 336.735 2.946 10 5 EFBERN Nc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC001625750313 1099846052 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EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cnc(C)nc1 ZINC001626852898 1099928195 /nfs/dbraw/zinc/92/81/95/1099928195.db2.gz QGRRDKHRJUMHQD-UHFFFAOYSA-N 0 0 349.734 2.557 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)c1ccc([N+](=O)[O-])cc1Cl ZINC001626872711 1099929423 /nfs/dbraw/zinc/92/94/23/1099929423.db2.gz SIPIAKTZSJYFSH-UHFFFAOYSA-N 0 0 332.743 2.904 10 5 EFBERN COc1ccc(C)cc1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001626950312 1099938277 /nfs/dbraw/zinc/93/82/77/1099938277.db2.gz VFHOSJCJYNHPCH-UHFFFAOYSA-N 0 0 332.331 2.910 10 5 EFBERN C[C@@H](CCCC(F)(F)F)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001626943334 1099939033 /nfs/dbraw/zinc/93/90/33/1099939033.db2.gz PCPDTCOPQWJVCN-YFKPBYRVSA-N 0 0 328.678 2.822 10 5 EFBERN CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001626952778 1099940069 /nfs/dbraw/zinc/94/00/69/1099940069.db2.gz LBJQVCFNGNZJJG-BLLLJJGKSA-N 0 0 347.415 2.509 10 5 EFBERN C[C@@H](CNC(=O)Cn1ncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001626953254 1099940682 /nfs/dbraw/zinc/94/06/82/1099940682.db2.gz QZIALDJZOYLPOE-ZDUSSCGKSA-N 0 0 338.367 2.864 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)c1c(F)cccc1F ZINC001627054665 1099952448 /nfs/dbraw/zinc/95/24/48/1099952448.db2.gz CGOUDKOWRNCSBJ-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1-c1ccccc1 ZINC001627138014 1099960806 /nfs/dbraw/zinc/96/08/06/1099960806.db2.gz WUVDRDWAUYZJAH-UHFFFAOYSA-N 0 0 337.339 2.830 10 5 EFBERN CC[C@@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001627141111 1099960819 /nfs/dbraw/zinc/96/08/19/1099960819.db2.gz XMLMEXRYPRGTTN-LLVKDONJSA-N 0 0 347.293 2.775 10 5 EFBERN Cc1noc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001627137904 1099961345 /nfs/dbraw/zinc/96/13/45/1099961345.db2.gz RKRWGIYUKBYUNQ-LBPRGKRZSA-N 0 0 334.307 2.711 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCCCOC2CCCC2)cc1[N+](=O)[O-] ZINC001627186442 1099965534 /nfs/dbraw/zinc/96/55/34/1099965534.db2.gz PBAFRWBXXOGBPY-UHFFFAOYSA-N 0 0 341.795 2.910 10 5 EFBERN O=C(Nc1cc(-c2cccs2)[nH]n1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001627221024 1099969738 /nfs/dbraw/zinc/96/97/38/1099969738.db2.gz SUCANOLFWQLGIR-CQSZACIVSA-N 0 0 344.352 2.719 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC001627223226 1099970031 /nfs/dbraw/zinc/97/00/31/1099970031.db2.gz YTLSLVZXRQBADW-BLLLJJGKSA-N 0 0 336.363 2.977 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1[N+](=O)[O-] ZINC001627220805 1099970102 /nfs/dbraw/zinc/97/01/02/1099970102.db2.gz JQKPJVBPHCADQA-UHFFFAOYSA-N 0 0 344.356 2.735 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC001627223232 1099972303 /nfs/dbraw/zinc/97/23/03/1099972303.db2.gz YTLSLVZXRQBADW-WBMJQRKESA-N 0 0 336.363 2.977 10 5 EFBERN CC[C@H]1CCCc2sc(NC(=O)Cn3ccc([N+](=O)[O-])n3)nc21 ZINC001627249591 1099973463 /nfs/dbraw/zinc/97/34/63/1099973463.db2.gz PKNQUDURJOUTBA-VIFPVBQESA-N 0 0 335.389 2.716 10 5 EFBERN Cc1ncncc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001627306714 1099980640 /nfs/dbraw/zinc/98/06/40/1099980640.db2.gz WFUOKFMWAVYISD-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(-c3cnco3)cc2)n1 ZINC001627306791 1099981149 /nfs/dbraw/zinc/98/11/49/1099981149.db2.gz YJILDSQRWOBEKM-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001627385643 1099987665 /nfs/dbraw/zinc/98/76/65/1099987665.db2.gz QSBMIUZUQNKDKR-UHFFFAOYSA-N 0 0 346.299 2.806 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCCOC)cc1 ZINC001627385743 1099988169 /nfs/dbraw/zinc/98/81/69/1099988169.db2.gz SMAVCEHEHUQUSW-UHFFFAOYSA-N 0 0 345.355 2.914 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC001627391050 1099988844 /nfs/dbraw/zinc/98/88/44/1099988844.db2.gz KRJCOCWNNFCELW-UHFFFAOYSA-N 0 0 343.339 2.984 10 5 EFBERN CCOc1ccc(OC)cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001627516350 1100005173 /nfs/dbraw/zinc/00/51/73/1100005173.db2.gz GTABJQCFKBHRSY-UHFFFAOYSA-N 0 0 340.723 2.631 10 5 EFBERN NC(=O)CC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCCC1 ZINC001627524348 1100006287 /nfs/dbraw/zinc/00/62/87/1100006287.db2.gz LNYATRQXBSOTJL-UHFFFAOYSA-N 0 0 339.779 2.556 10 5 EFBERN O=C(NCc1cc(=O)[nH]c(=O)[nH]1)c1cc2ccccc2c2cccnc12 ZINC001627541321 1100007790 /nfs/dbraw/zinc/00/77/90/1100007790.db2.gz QGYDCGMFQIFTEL-UHFFFAOYSA-N 0 0 346.346 2.519 10 5 EFBERN C/C(=C/c1ccncc1)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001627585485 1100011552 /nfs/dbraw/zinc/01/15/52/1100011552.db2.gz CNWBFPSGZZIOFV-POHAHGRESA-N 0 0 333.294 2.988 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCSC[C@H]2C(F)(F)F)n1 ZINC001627646815 1100019189 /nfs/dbraw/zinc/01/91/89/1100019189.db2.gz MNGBNEBZYPHMTN-NSHDSACASA-N 0 0 349.334 2.808 10 5 EFBERN O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc([N+](=O)[O-])[nH]1 ZINC001627683642 1100021595 /nfs/dbraw/zinc/02/15/95/1100021595.db2.gz AUYLACONMORYMO-MRVPVSSYSA-N 0 0 325.246 2.758 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N=[S@](C)(=O)c1ccccc1F ZINC001627677448 1100021630 /nfs/dbraw/zinc/02/16/30/1100021630.db2.gz OMJMNQQJLFACQL-HSZRJFAPSA-N 0 0 337.332 2.734 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnc(-n3cccn3)c2)c1F ZINC001627719682 1100026768 /nfs/dbraw/zinc/02/67/68/1100026768.db2.gz GLLOSTRFCLYKLL-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN CSCCc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC001627874240 1100038038 /nfs/dbraw/zinc/03/80/38/1100038038.db2.gz FGPSGMAJAPJNEF-UHFFFAOYSA-N 0 0 332.385 2.730 10 5 EFBERN CC(C)(CO)[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001627909496 1100042170 /nfs/dbraw/zinc/04/21/70/1100042170.db2.gz XHQKYTVCCCMXAC-HNNXBMFYSA-N 0 0 340.807 2.704 10 5 EFBERN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cn2)nc1Br ZINC001627945294 1100043567 /nfs/dbraw/zinc/04/35/67/1100043567.db2.gz MUCHMHWBGKHBSD-UHFFFAOYSA-N 0 0 343.162 2.770 10 5 EFBERN Cc1[nH]nc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c1C ZINC001628016937 1100050467 /nfs/dbraw/zinc/05/04/67/1100050467.db2.gz ZJNIWLRNAIVFDD-UHFFFAOYSA-N 0 0 325.328 2.922 10 5 EFBERN O=C(NCc1cc2ccccc2[nH]c1=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001628008429 1100050704 /nfs/dbraw/zinc/05/07/04/1100050704.db2.gz BUCOLIHTSFUWJU-UHFFFAOYSA-N 0 0 341.298 2.918 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C=O)n(C)c1 ZINC001628029015 1100052333 /nfs/dbraw/zinc/05/23/33/1100052333.db2.gz RLKQDBXXMBCBQP-UHFFFAOYSA-N 0 0 330.344 2.818 10 5 EFBERN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001628186995 1100073055 /nfs/dbraw/zinc/07/30/55/1100073055.db2.gz QJUTVDNOQAAMFF-HNNXBMFYSA-N 0 0 340.383 2.728 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001628200507 1100076404 /nfs/dbraw/zinc/07/64/04/1100076404.db2.gz DFTAITIJMHXIQQ-UHFFFAOYSA-N 0 0 329.143 2.597 10 5 EFBERN Cc1cccc2nc(CCNC(=O)c3cc([N+](=O)[O-])ccc3F)cn21 ZINC001628255661 1100082822 /nfs/dbraw/zinc/08/28/22/1100082822.db2.gz WZISXMXJHZSJRQ-UHFFFAOYSA-N 0 0 342.330 2.663 10 5 EFBERN CCC/C=C/[C@H](O)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001628260482 1100083649 /nfs/dbraw/zinc/08/36/49/1100083649.db2.gz BHEGPNIYLHWUKQ-WIJLQKJISA-N 0 0 336.413 2.886 10 5 EFBERN Cc1cc(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001628367548 1100094539 /nfs/dbraw/zinc/09/45/39/1100094539.db2.gz ZYPQSIAMZVENOT-MRXNPFEDSA-N 0 0 348.786 2.949 10 5 EFBERN O=C(NC1(c2cccc(F)c2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001628412395 1100099225 /nfs/dbraw/zinc/09/92/25/1100099225.db2.gz YHRAFCUXOFVQRN-HNNXBMFYSA-N 0 0 330.315 2.573 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC001628419691 1100100016 /nfs/dbraw/zinc/10/00/16/1100100016.db2.gz NCIHVTHOHCHUQL-BZNIZROVSA-N 0 0 332.331 2.894 10 5 EFBERN CNc1nccc(C(=O)N[C@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC001628468990 1100105669 /nfs/dbraw/zinc/10/56/69/1100105669.db2.gz CAFYTFLHZQXFMH-NSHDSACASA-N 0 0 330.369 2.608 10 5 EFBERN Cc1ccc(C(C)(C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC001628531885 1100111149 /nfs/dbraw/zinc/11/11/49/1100111149.db2.gz XAPKWUIBMZYZLW-UHFFFAOYSA-N 0 0 342.399 2.896 10 5 EFBERN CCOc1ccc(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001628678827 1100122386 /nfs/dbraw/zinc/12/23/86/1100122386.db2.gz TZJXGUBAZUTTFN-UHFFFAOYSA-N 0 0 331.328 2.837 10 5 EFBERN CN(CC(F)(F)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001628720716 1100127983 /nfs/dbraw/zinc/12/79/83/1100127983.db2.gz VVBOOPHHWUBFGL-UHFFFAOYSA-N 0 0 345.199 2.586 10 5 EFBERN O=C(Nc1cnc2c(F)cccc2c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001628829304 1100139723 /nfs/dbraw/zinc/13/97/23/1100139723.db2.gz QDMNSGYKGABYFZ-MRXNPFEDSA-N 0 0 341.298 2.954 10 5 EFBERN CSc1cccc(C(=O)Nc2n[nH]c3[nH]c(=O)ccc23)c1[N+](=O)[O-] ZINC001628852480 1100142855 /nfs/dbraw/zinc/14/28/55/1100142855.db2.gz HMLPACJHGLZOTM-UHFFFAOYSA-N 0 0 345.340 2.546 10 5 EFBERN CCC[C@]1(CO)CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628940004 1100151329 /nfs/dbraw/zinc/15/13/29/1100151329.db2.gz XRSPJYRSXVTSIN-INIZCTEOSA-N 0 0 340.807 2.802 10 5 EFBERN CC(C)n1ncc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cnc21 ZINC001628940860 1100151838 /nfs/dbraw/zinc/15/18/38/1100151838.db2.gz TXTJKEFYDKETRP-UHFFFAOYSA-N 0 0 340.343 2.755 10 5 EFBERN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001628982459 1100154583 /nfs/dbraw/zinc/15/45/83/1100154583.db2.gz RLVPOBBCZYLGPB-MNOVXSKESA-N 0 0 341.795 2.556 10 5 EFBERN C[C@H](C(=O)Nc1cccc2[nH]c(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC001628994907 1100156315 /nfs/dbraw/zinc/15/63/15/1100156315.db2.gz VKFUKMQEVKJEOG-VIFPVBQESA-N 0 0 326.312 2.919 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1(CC)CC ZINC001629004038 1100157870 /nfs/dbraw/zinc/15/78/70/1100157870.db2.gz WGZLZZMLTDFIEG-IUCAKERBSA-N 0 0 344.799 2.685 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1(CC)CC ZINC001629004039 1100158020 /nfs/dbraw/zinc/15/80/20/1100158020.db2.gz WGZLZZMLTDFIEG-RKDXNWHRSA-N 0 0 344.799 2.685 10 5 EFBERN C[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)Cc1cccs1 ZINC001629055454 1100165716 /nfs/dbraw/zinc/16/57/16/1100165716.db2.gz JLEQWJDKJMBIFM-ZETCQYMHSA-N 0 0 328.781 2.641 10 5 EFBERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001629065445 1100165981 /nfs/dbraw/zinc/16/59/81/1100165981.db2.gz WDIWCBKRSRWBIE-RISCZKNCSA-N 0 0 326.356 2.590 10 5 EFBERN Nc1ccc(NC(=O)c2ncccc2-c2ccccn2)cc1[N+](=O)[O-] ZINC001629194085 1100179357 /nfs/dbraw/zinc/17/93/57/1100179357.db2.gz ZOMFATUXIWXSOA-UHFFFAOYSA-N 0 0 335.323 2.886 10 5 EFBERN C[C@@H](COCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001629193190 1100179884 /nfs/dbraw/zinc/17/98/84/1100179884.db2.gz APFSWVOZTMNVAW-LBPRGKRZSA-N 0 0 329.356 2.936 10 5 EFBERN CC[C@@H]1c2ccccc2CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001629222634 1100183130 /nfs/dbraw/zinc/18/31/30/1100183130.db2.gz NYKVFSWOJYAIPK-CQSZACIVSA-N 0 0 326.356 2.722 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2cccc3c[nH]nc32)cc1[N+](=O)[O-] ZINC001629262357 1100189770 /nfs/dbraw/zinc/18/97/70/1100189770.db2.gz NVMBGZKKXPGCMF-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)c1ccccc1 ZINC001629409751 1100207775 /nfs/dbraw/zinc/20/77/75/1100207775.db2.gz LQIVXMJGGXMQCM-KRWDZBQOSA-N 0 0 346.408 2.954 10 5 EFBERN COc1cc(C(=O)N(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001629473056 1100214816 /nfs/dbraw/zinc/21/48/16/1100214816.db2.gz PERCEQKFLQYRDV-UHFFFAOYSA-N 0 0 330.340 2.884 10 5 EFBERN Cc1nc2ccc(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2o1 ZINC001629484501 1100215837 /nfs/dbraw/zinc/21/58/37/1100215837.db2.gz AEDILTAIQGZMCZ-HNNXBMFYSA-N 0 0 327.296 2.717 10 5 EFBERN C[C@@H](Cc1cccs1)N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001629497286 1100216101 /nfs/dbraw/zinc/21/61/01/1100216101.db2.gz NOIIOQROUKOQMZ-XHDPSFHLSA-N 0 0 334.397 2.779 10 5 EFBERN COc1ccccc1[C@H](O)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001629569070 1100223797 /nfs/dbraw/zinc/22/37/97/1100223797.db2.gz XIQVPOIOZRIMOT-INIZCTEOSA-N 0 0 344.367 2.688 10 5 EFBERN O=C(Nc1nccc2cc[nH]c21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001629603335 1100228123 /nfs/dbraw/zinc/22/81/23/1100228123.db2.gz JAJTZTCYCOTMBZ-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN O=C(c1ccc(-c2cn[nH]c2)cn1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001629715641 1100238805 /nfs/dbraw/zinc/23/88/05/1100238805.db2.gz ZGKGHDRKWGUGFQ-UHFFFAOYSA-N 0 0 335.323 2.583 10 5 EFBERN COc1cccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001126528024 1100245711 /nfs/dbraw/zinc/24/57/11/1100245711.db2.gz VPVIQFYZWNVECJ-LBPRGKRZSA-N 0 0 345.355 2.504 10 5 EFBERN O=C(Nc1cccc(OCCF)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001630012775 1100268878 /nfs/dbraw/zinc/26/88/78/1100268878.db2.gz CPGPWMJZPFDJFY-UHFFFAOYSA-N 0 0 328.687 2.572 10 5 EFBERN O=C(N[C@@H]1COc2c1cccc2Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630122696 1100277573 /nfs/dbraw/zinc/27/75/73/1100277573.db2.gz HCUWNPBGCBKSOW-KGLIPLIRSA-N 0 0 348.742 2.532 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cccc(C)n1 ZINC001630125264 1100278095 /nfs/dbraw/zinc/27/80/95/1100278095.db2.gz GLDKVZZPKUQZOC-UHFFFAOYSA-N 0 0 332.291 2.648 10 5 EFBERN CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001630182502 1100282979 /nfs/dbraw/zinc/28/29/79/1100282979.db2.gz ZTTCGTOFTWEGHY-NSHDSACASA-N 0 0 344.371 2.850 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC(Cc2c(F)cccc2F)C1 ZINC001630293235 1100289953 /nfs/dbraw/zinc/28/99/53/1100289953.db2.gz KGSCNTWJQDSQMG-UHFFFAOYSA-N 0 0 347.321 2.770 10 5 EFBERN Cc1nc2sccn2c1CN(C)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001630412933 1100304308 /nfs/dbraw/zinc/30/43/08/1100304308.db2.gz OPXOGGPLNLBPCQ-UHFFFAOYSA-N 0 0 345.384 2.588 10 5 EFBERN C[C@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001630535018 1100314858 /nfs/dbraw/zinc/31/48/58/1100314858.db2.gz XJQOPZGGPSILIO-MMPTUQATSA-N 0 0 328.372 2.861 10 5 EFBERN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Oc1cccc(F)c1 ZINC001630618414 1100322425 /nfs/dbraw/zinc/32/24/25/1100322425.db2.gz YGRSXPBOHPBWJC-CYBMUJFWSA-N 0 0 347.346 2.904 10 5 EFBERN CN(Cc1ccccn1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001630659436 1100327033 /nfs/dbraw/zinc/32/70/33/1100327033.db2.gz BEQFTPKZVPHTQB-UHFFFAOYSA-N 0 0 336.351 2.997 10 5 EFBERN CC(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1 ZINC001630657781 1100327275 /nfs/dbraw/zinc/32/72/75/1100327275.db2.gz OZWSSOJCEZIERL-UHFFFAOYSA-N 0 0 347.400 2.592 10 5 EFBERN Cc1c(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC001630689373 1100329341 /nfs/dbraw/zinc/32/93/41/1100329341.db2.gz NHMGSBKUISIRSA-SSDOTTSWSA-N 0 0 344.249 2.796 10 5 EFBERN CCCCCc1nnc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001630850745 1100346129 /nfs/dbraw/zinc/34/61/29/1100346129.db2.gz LEDGIZCSPPYKNZ-UHFFFAOYSA-N 0 0 344.784 2.808 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC001630848562 1100346223 /nfs/dbraw/zinc/34/62/23/1100346223.db2.gz PBOACSNMBJXDFR-OAHLLOKOSA-N 0 0 334.303 2.849 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C2CC2)[nH]c1=O ZINC001630905034 1100352388 /nfs/dbraw/zinc/35/23/88/1100352388.db2.gz NPRFJSCTQGGQKR-UHFFFAOYSA-N 0 0 328.328 2.867 10 5 EFBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccc(F)c1F ZINC001630958041 1100357116 /nfs/dbraw/zinc/35/71/16/1100357116.db2.gz UOPLMYKOOCOGIX-YFKPBYRVSA-N 0 0 330.678 2.741 10 5 EFBERN Nc1c(C(=O)NCc2cccc(F)c2F)cc(F)cc1[N+](=O)[O-] ZINC001631060345 1100365467 /nfs/dbraw/zinc/36/54/67/1100365467.db2.gz OVPMEOSZTNKWND-UHFFFAOYSA-N 0 0 325.246 2.524 10 5 EFBERN COc1ccc([C@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000045241065 1100368618 /nfs/dbraw/zinc/36/86/18/1100368618.db2.gz YXABMZXBTKEXES-JTQLQIEISA-N 0 0 345.355 2.685 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CC(=O)c2ccccc21 ZINC001631094575 1100369436 /nfs/dbraw/zinc/36/94/36/1100369436.db2.gz WSYLGDWFYFKSQP-LBPRGKRZSA-N 0 0 346.289 2.859 10 5 EFBERN Cc1[nH]c2ccc(CNC(=O)c3cnc(N)c([N+](=O)[O-])c3)cc2c1C ZINC001631350089 1100390243 /nfs/dbraw/zinc/39/02/43/1100390243.db2.gz LQACNZNVVMJMPZ-UHFFFAOYSA-N 0 0 339.355 2.600 10 5 EFBERN COc1ccc(NC(=O)c2ncoc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001631347182 1100390766 /nfs/dbraw/zinc/39/07/66/1100390766.db2.gz LPUWSRFUCFVKIJ-UHFFFAOYSA-N 0 0 331.206 2.863 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN(c2cccc(F)c2)CC1 ZINC001631365055 1100391542 /nfs/dbraw/zinc/39/15/42/1100391542.db2.gz GNXJZEHRQOLKIT-UHFFFAOYSA-N 0 0 347.321 2.835 10 5 EFBERN CC(C)(C(=O)Nc1cc(-c2ccccc2)[nH]n1)n1cc([N+](=O)[O-])cn1 ZINC001631364027 1100392312 /nfs/dbraw/zinc/39/23/12/1100392312.db2.gz LRWZSWLRLARMQO-UHFFFAOYSA-N 0 0 340.343 2.555 10 5 EFBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)no1 ZINC000045625161 1100393989 /nfs/dbraw/zinc/39/39/89/1100393989.db2.gz OHYDOUNOIMKOTE-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nnc(C3CCC3)n2C)c1C ZINC001631478687 1100402366 /nfs/dbraw/zinc/40/23/66/1100402366.db2.gz LMLWKCQFOVAGDV-UHFFFAOYSA-N 0 0 343.387 2.538 10 5 EFBERN C[C@H]1CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC(C)(C)C1 ZINC001631488890 1100403673 /nfs/dbraw/zinc/40/36/73/1100403673.db2.gz ZSXVBEBCAMXDRV-GFCCVEGCSA-N 0 0 343.387 2.684 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC(C)(C)C1 ZINC001631488891 1100404005 /nfs/dbraw/zinc/40/40/05/1100404005.db2.gz ZSXVBEBCAMXDRV-LBPRGKRZSA-N 0 0 343.387 2.684 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001631523773 1100407861 /nfs/dbraw/zinc/40/78/61/1100407861.db2.gz QHUBZVJEHRUTHE-UHFFFAOYSA-N 0 0 347.758 2.837 10 5 EFBERN COc1cccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1O ZINC001631660507 1100417883 /nfs/dbraw/zinc/41/78/83/1100417883.db2.gz VEMCEKDZCPBGPA-UHFFFAOYSA-N 0 0 337.719 2.797 10 5 EFBERN CO[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001631692762 1100420597 /nfs/dbraw/zinc/42/05/97/1100420597.db2.gz RKSUZBOKEDOTDW-SMDDNHRTSA-N 0 0 326.780 2.722 10 5 EFBERN COc1ccc([C@H](CO)N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001631748777 1100424167 /nfs/dbraw/zinc/42/41/67/1100424167.db2.gz DJDOFRUOSULEPA-INIZCTEOSA-N 0 0 348.330 2.548 10 5 EFBERN C[C@H](O)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001631989216 1100445468 /nfs/dbraw/zinc/44/54/68/1100445468.db2.gz KTGCTLMFSOXGHC-GTNSWQLSSA-N 0 0 332.331 2.515 10 5 EFBERN O=C(Nc1nncn1-c1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001632043603 1100449626 /nfs/dbraw/zinc/44/96/26/1100449626.db2.gz SLMHGHBZQOMIML-JKSUJKDBSA-N 0 0 349.350 2.918 10 5 EFBERN C[C@@](CO)(NC(=O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001632074151 1100451469 /nfs/dbraw/zinc/45/14/69/1100451469.db2.gz CRHDNDLYOICCJP-INIZCTEOSA-N 0 0 336.294 2.511 10 5 EFBERN COc1ccc(N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1 ZINC001632089521 1100453357 /nfs/dbraw/zinc/45/33/57/1100453357.db2.gz KHOJCEIZUSFMNE-UHFFFAOYSA-N 0 0 344.352 2.885 10 5 EFBERN CCOC(=O)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001632171019 1100457261 /nfs/dbraw/zinc/45/72/61/1100457261.db2.gz CWOAOTOVXXUJON-ZDUSSCGKSA-N 0 0 336.388 2.940 10 5 EFBERN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1OC(F)F ZINC001632210668 1100459649 /nfs/dbraw/zinc/45/96/49/1100459649.db2.gz ZAGHPPIMZBFPSV-ZCFIWIBFSA-N 0 0 344.249 2.549 10 5 EFBERN Cc1cccc(OC(F)F)c1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001632218153 1100460890 /nfs/dbraw/zinc/46/08/90/1100460890.db2.gz ZPGLRZKCRSQPTB-UHFFFAOYSA-N 0 0 339.254 2.858 10 5 EFBERN Cc1ncsc1CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632259513 1100462791 /nfs/dbraw/zinc/46/27/91/1100462791.db2.gz ALDSJGYQUQNWMO-UHFFFAOYSA-N 0 0 331.357 2.807 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001632404780 1100471326 /nfs/dbraw/zinc/47/13/26/1100471326.db2.gz LXHSXAUIQXZQOY-LKFCYVNXSA-N 0 0 329.331 2.774 10 5 EFBERN Cc1ccncc1CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001632400383 1100471501 /nfs/dbraw/zinc/47/15/01/1100471501.db2.gz DYUZVIDVSWZIRM-UHFFFAOYSA-N 0 0 334.763 2.506 10 5 EFBERN Nc1c(C(=O)NC2Cc3ccccc3C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001632460578 1100476710 /nfs/dbraw/zinc/47/67/10/1100476710.db2.gz TURZTACTKYUKDB-UHFFFAOYSA-N 0 0 349.749 2.867 10 5 EFBERN CCc1c(NC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]c1-c1ccncc1 ZINC001632476742 1100477173 /nfs/dbraw/zinc/47/71/73/1100477173.db2.gz RKNSDRUEVCTFRY-UHFFFAOYSA-N 0 0 340.343 2.533 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001632516905 1100479811 /nfs/dbraw/zinc/47/98/11/1100479811.db2.gz GJGVSQNLDDHXOI-ZETCQYMHSA-N 0 0 340.792 2.828 10 5 EFBERN CN(Cc1ccns1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001632544653 1100482801 /nfs/dbraw/zinc/48/28/01/1100482801.db2.gz VIQBEXQGUHMSCO-UHFFFAOYSA-N 0 0 325.777 2.906 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Cl)cc1N ZINC001632587375 1100486088 /nfs/dbraw/zinc/48/60/88/1100486088.db2.gz VCUXAYGCHZXNNO-UHFFFAOYSA-N 0 0 335.747 2.769 10 5 EFBERN C/C=C/C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC ZINC001632616231 1100489251 /nfs/dbraw/zinc/48/92/51/1100489251.db2.gz VNEXGPUIILLXLU-JOAKQRRISA-N 0 0 340.763 2.876 10 5 EFBERN COc1cc(C(=O)Nc2cc(CC3CC3)[nH]n2)c([N+](=O)[O-])cc1F ZINC001632675640 1100493203 /nfs/dbraw/zinc/49/32/03/1100493203.db2.gz DJWGSBMNRNMJTE-UHFFFAOYSA-N 0 0 334.307 2.670 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc2cnccc2o1 ZINC001632787210 1100501248 /nfs/dbraw/zinc/50/12/48/1100501248.db2.gz YQDTXQPDLAOLCI-UHFFFAOYSA-N 0 0 329.287 2.734 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCO)[C@H](C)c1ccccc1 ZINC001632890070 1100506519 /nfs/dbraw/zinc/50/65/19/1100506519.db2.gz JOHGJLGFLWBJRM-CYBMUJFWSA-N 0 0 344.367 2.799 10 5 EFBERN CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)c1ccccc1 ZINC001632974277 1100511327 /nfs/dbraw/zinc/51/13/27/1100511327.db2.gz ZJSSDIPRCYVRSJ-CYBMUJFWSA-N 0 0 345.330 2.707 10 5 EFBERN Cc1c(CNC(=O)c2ccc3[nH]cnc3c2F)cccc1[N+](=O)[O-] ZINC001632978667 1100513002 /nfs/dbraw/zinc/51/30/02/1100513002.db2.gz XVMBYVAUTGZHQD-UHFFFAOYSA-N 0 0 328.303 2.849 10 5 EFBERN O=C(C[C@@H]1CC[C@H](C2CC2)O1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001633006672 1100514929 /nfs/dbraw/zinc/51/49/29/1100514929.db2.gz PQLMYWZDIQZGAQ-DOTOQJQBSA-N 0 0 346.383 2.532 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)Cc2cncnc21 ZINC001633009046 1100516246 /nfs/dbraw/zinc/51/62/46/1100516246.db2.gz UXRDXTXYZSSZCV-LLVKDONJSA-N 0 0 349.350 2.693 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2c(cccc2F)[nH]1 ZINC001633076941 1100521496 /nfs/dbraw/zinc/52/14/96/1100521496.db2.gz QQVQUMWMOXIMMA-UHFFFAOYSA-N 0 0 328.303 2.849 10 5 EFBERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(Cl)cn1 ZINC001633109559 1100523213 /nfs/dbraw/zinc/52/32/13/1100523213.db2.gz JIXVPQHSSMTFGU-RXMQYKEDSA-N 0 0 330.131 2.511 10 5 EFBERN O=C(c1ccc2nonc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001633166274 1100526400 /nfs/dbraw/zinc/52/64/00/1100526400.db2.gz XYBPONYXKDLUOI-UHFFFAOYSA-N 0 0 338.323 2.936 10 5 EFBERN Nc1ncc(C(=O)N2CCC(c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC001633263345 1100532612 /nfs/dbraw/zinc/53/26/12/1100532612.db2.gz CZZLNKPZXFKTQR-UHFFFAOYSA-N 0 0 332.385 2.653 10 5 EFBERN O=C(Nc1n[nH]cc1-c1ccc(Cl)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC001633332597 1100536919 /nfs/dbraw/zinc/53/69/19/1100536919.db2.gz LUJYTXDSRMEOBO-UHFFFAOYSA-N 0 0 332.707 2.614 10 5 EFBERN CCn1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(C2CC2)n1 ZINC001633374805 1100538909 /nfs/dbraw/zinc/53/89/09/1100538909.db2.gz HOHHKUGQPBEZCP-UHFFFAOYSA-N 0 0 340.343 2.817 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@]12CCO[C@@H]1CCCC2 ZINC001633374819 1100539295 /nfs/dbraw/zinc/53/92/95/1100539295.db2.gz HUJBYUVNAQYETC-CZUORRHYSA-N 0 0 330.344 2.759 10 5 EFBERN O=C(Nc1c[nH]c(C(=O)N2CCCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001633482866 1100544595 /nfs/dbraw/zinc/54/45/95/1100544595.db2.gz LVHSYDZUVQVIHK-UHFFFAOYSA-N 0 0 346.318 2.550 10 5 EFBERN COc1nscc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001633608407 1100553558 /nfs/dbraw/zinc/55/35/58/1100553558.db2.gz IZLIZTQTFLGMJR-UHFFFAOYSA-N 0 0 332.341 2.722 10 5 EFBERN CN(CC1(O)CCC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001633649104 1100556288 /nfs/dbraw/zinc/55/62/88/1100556288.db2.gz WHOQMLUDHSKSKD-UHFFFAOYSA-N 0 0 341.367 2.644 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]nc1-c1ccco1 ZINC001633730282 1100561687 /nfs/dbraw/zinc/56/16/87/1100561687.db2.gz SIMDZJAYRLBKPI-UHFFFAOYSA-N 0 0 340.339 2.893 10 5 EFBERN CCn1ncc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1C ZINC001633729184 1100561774 /nfs/dbraw/zinc/56/17/74/1100561774.db2.gz PFGUZRIJUNITRL-UHFFFAOYSA-N 0 0 333.304 2.589 10 5 EFBERN CC1(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC(F)(F)C1 ZINC001633758653 1100564385 /nfs/dbraw/zinc/56/43/85/1100564385.db2.gz MYBKFZRKVIFOHT-UHFFFAOYSA-N 0 0 337.282 2.766 10 5 EFBERN CC(C)c1ccccc1OCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001633824877 1100568443 /nfs/dbraw/zinc/56/84/43/1100568443.db2.gz DCRQLJOMTSERFQ-UHFFFAOYSA-N 0 0 344.371 2.504 10 5 EFBERN Nc1c(C(=O)NCCc2nsc3ccccc32)cccc1[N+](=O)[O-] ZINC001633913125 1100573515 /nfs/dbraw/zinc/57/35/15/1100573515.db2.gz OCABJKDTEUZOOP-UHFFFAOYSA-N 0 0 342.380 2.759 10 5 EFBERN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1Br ZINC001633916187 1100573549 /nfs/dbraw/zinc/57/35/49/1100573549.db2.gz ASYVXYMXTZOJSV-UHFFFAOYSA-N 0 0 338.161 2.924 10 5 EFBERN CCCn1ccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001633939598 1100576430 /nfs/dbraw/zinc/57/64/30/1100576430.db2.gz URZOIJJVKAKQOE-UHFFFAOYSA-N 0 0 336.779 2.972 10 5 EFBERN COCC1(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC001634027326 1100580787 /nfs/dbraw/zinc/58/07/87/1100580787.db2.gz VWEOGVOPFJJYEY-UHFFFAOYSA-N 0 0 326.780 2.724 10 5 EFBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2c(Cl)cccc2C1 ZINC001634064868 1100582573 /nfs/dbraw/zinc/58/25/73/1100582573.db2.gz DLWWRZPOBRRCML-MRXNPFEDSA-N 0 0 346.770 2.867 10 5 EFBERN Cc1cccc(C[C@H](CO)NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001634121360 1100586675 /nfs/dbraw/zinc/58/66/75/1100586675.db2.gz ZYDWBCSTTUEVEO-CYBMUJFWSA-N 0 0 348.786 2.890 10 5 EFBERN CCC[C@H](CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C)C(=O)OCC ZINC001634179069 1100588962 /nfs/dbraw/zinc/58/89/62/1100588962.db2.gz JDLLYJJSJFCPRZ-CYBMUJFWSA-N 0 0 336.388 2.921 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCc2cc[nH]c(=O)c21 ZINC001634244314 1100593377 /nfs/dbraw/zinc/59/33/77/1100593377.db2.gz BFQWYEFXAPWCRZ-UHFFFAOYSA-N 0 0 333.731 2.942 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccncc2C(F)(F)F)n1 ZINC001634286106 1100596598 /nfs/dbraw/zinc/59/65/98/1100596598.db2.gz HTDPPTVDVXCORP-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN O=C(Nc1ccnc2ccnn21)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001634301596 1100598643 /nfs/dbraw/zinc/59/86/43/1100598643.db2.gz CNXANJBCCNTJDX-UHFFFAOYSA-N 0 0 335.682 2.682 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2cn[nH]c2)CC1 ZINC001634351430 1100602527 /nfs/dbraw/zinc/60/25/27/1100602527.db2.gz SGPFQXUBQFZCLN-UHFFFAOYSA-N 0 0 348.790 2.920 10 5 EFBERN CNc1ccc(C(=O)Nc2ccc(OCOC)cc2)cc1[N+](=O)[O-] ZINC001634373141 1100604699 /nfs/dbraw/zinc/60/46/99/1100604699.db2.gz XXJLEYZCORCBFX-UHFFFAOYSA-N 0 0 331.328 2.872 10 5 EFBERN C[C@H]1Cc2n[nH]cc2CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001634472519 1100610011 /nfs/dbraw/zinc/61/00/11/1100610011.db2.gz MWJXFIPZECUTNJ-VIFPVBQESA-N 0 0 334.763 2.806 10 5 EFBERN Cc1cc(C)c(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1Br ZINC001634483993 1100610338 /nfs/dbraw/zinc/61/03/38/1100610338.db2.gz NRVXXKOQCDQTSG-UHFFFAOYSA-N 0 0 339.149 2.950 10 5 EFBERN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC001634540660 1100614626 /nfs/dbraw/zinc/61/46/26/1100614626.db2.gz AXGCWOBHPYYEBI-KRWDZBQOSA-N 0 0 342.399 2.832 10 5 EFBERN Nc1nccc(C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)c1[N+](=O)[O-] ZINC001634570458 1100617143 /nfs/dbraw/zinc/61/71/43/1100617143.db2.gz NETNFBLUVWTXSP-UMSPYCQHSA-N 0 0 344.396 2.625 10 5 EFBERN Cc1nc([C@@H]2CCCN2C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[nH]c1C ZINC001634696168 1100625015 /nfs/dbraw/zinc/62/50/15/1100625015.db2.gz BQADOMSHROCBQZ-NSHDSACASA-N 0 0 346.391 2.759 10 5 EFBERN CCCCCCN(O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634763944 1100628727 /nfs/dbraw/zinc/62/87/27/1100628727.db2.gz LRQUFCCLGPGKFF-UHFFFAOYSA-N 0 0 335.364 2.952 10 5 EFBERN O=C(N[C@H](CO)CC1CCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001634905480 1100635049 /nfs/dbraw/zinc/63/50/49/1100635049.db2.gz AHEXTRYTYXQITC-XIRDDKMYSA-N 0 0 332.400 2.756 10 5 EFBERN COc1cc2c(cc1O)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001634956637 1100638165 /nfs/dbraw/zinc/63/81/65/1100638165.db2.gz AUDNDJYPBOJZHD-UHFFFAOYSA-N 0 0 328.324 2.508 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1C[C@@H]1c1cccnc1 ZINC001634992958 1100639391 /nfs/dbraw/zinc/63/93/91/1100639391.db2.gz FNNSBAKGEXODFM-CVEARBPZSA-N 0 0 336.351 2.617 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001635020564 1100640341 /nfs/dbraw/zinc/64/03/41/1100640341.db2.gz ANVOODOTZKYPLE-LLVKDONJSA-N 0 0 336.351 2.991 10 5 EFBERN CC(C)[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001635100055 1100643619 /nfs/dbraw/zinc/64/36/19/1100643619.db2.gz KQQCRVBQPHYKBX-CQSZACIVSA-N 0 0 332.335 2.838 10 5 EFBERN CCc1ccc(C(C)(C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001635116039 1100644398 /nfs/dbraw/zinc/64/43/98/1100644398.db2.gz QECFLIRDIOYRAN-UHFFFAOYSA-N 0 0 328.372 2.800 10 5 EFBERN CC[C@@H](CN1CCOCC1)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001635159715 1100646093 /nfs/dbraw/zinc/64/60/93/1100646093.db2.gz BRMHXTGUOPXBCA-HNNXBMFYSA-N 0 0 349.431 2.559 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc2ccncc21 ZINC001635282046 1100653218 /nfs/dbraw/zinc/65/32/18/1100653218.db2.gz JZBZFSLGCOCPQM-UHFFFAOYSA-N 0 0 347.334 2.949 10 5 EFBERN CSc1cccc(C(=O)N2CCC[C@@H](c3ncon3)C2)c1[N+](=O)[O-] ZINC001635319660 1100654386 /nfs/dbraw/zinc/65/43/86/1100654386.db2.gz GAPULYZVCZHAHQ-SNVBAGLBSA-N 0 0 348.384 2.720 10 5 EFBERN COc1ccc(C[C@@H]2CCN2C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001635348420 1100655893 /nfs/dbraw/zinc/65/58/93/1100655893.db2.gz DQJDLLYCTZRVRO-ZDUSSCGKSA-N 0 0 341.367 2.643 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC(O)(c3ccccc3)C2)c1F ZINC001635404594 1100661229 /nfs/dbraw/zinc/66/12/29/1100661229.db2.gz JCYOVDGGKLWHSK-UHFFFAOYSA-N 0 0 348.305 2.525 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC001635518088 1100665502 /nfs/dbraw/zinc/66/55/02/1100665502.db2.gz TVENSPVHZJDENS-UAGQMJEPSA-N 0 0 347.415 2.844 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2ccc(-c3nncs3)cc2)c1[N+](=O)[O-] ZINC001635517516 1100665513 /nfs/dbraw/zinc/66/55/13/1100665513.db2.gz FZRXFYLJHPIPET-UHFFFAOYSA-N 0 0 344.356 2.651 10 5 EFBERN O=C(NC1(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001635563198 1100667911 /nfs/dbraw/zinc/66/79/11/1100667911.db2.gz QKDLLDMDPPJYEJ-UHFFFAOYSA-N 0 0 330.315 2.945 10 5 EFBERN C[C@](CO)(NC(=O)c1cccc2cc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC001635618983 1100670378 /nfs/dbraw/zinc/67/03/78/1100670378.db2.gz PFQUISIQDMNWSM-GOSISDBHSA-N 0 0 339.351 2.714 10 5 EFBERN Cc1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(O)c1C ZINC001635619823 1100670475 /nfs/dbraw/zinc/67/04/75/1100670475.db2.gz UQRFYTBARSJOQU-SFHVURJKSA-N 0 0 344.367 2.555 10 5 EFBERN Cn1nccc1[C@H]1CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635630808 1100671199 /nfs/dbraw/zinc/67/11/99/1100671199.db2.gz XZKGARMYGYHYEU-CQSZACIVSA-N 0 0 348.790 2.888 10 5 EFBERN CNc1c(C(=O)NCc2cccc3c2OCC3)cccc1[N+](=O)[O-] ZINC001635660747 1100673558 /nfs/dbraw/zinc/67/35/58/1100673558.db2.gz DXAAAOHSHGEOED-UHFFFAOYSA-N 0 0 327.340 2.501 10 5 EFBERN C[C@@H](C(=O)N1CC[C@H](c2cnccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC001635791394 1100680003 /nfs/dbraw/zinc/68/00/03/1100680003.db2.gz DWXUGCSCUXOSBO-OCCSQVGLSA-N 0 0 326.356 2.504 10 5 EFBERN CO[C@]1(C)CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001635796837 1100680206 /nfs/dbraw/zinc/68/02/06/1100680206.db2.gz FKWMOAWDDZDESJ-OAHLLOKOSA-N 0 0 326.780 2.818 10 5 EFBERN C[C@H](C(=O)N1CC[C@H](c2cnccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC001635791393 1100680302 /nfs/dbraw/zinc/68/03/02/1100680302.db2.gz DWXUGCSCUXOSBO-JSGCOSHPSA-N 0 0 326.356 2.504 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC2(CCC2)C1 ZINC001635913989 1100687106 /nfs/dbraw/zinc/68/71/06/1100687106.db2.gz ZNUKIVXRTBLCET-UHFFFAOYSA-N 0 0 339.189 2.912 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001635927175 1100687812 /nfs/dbraw/zinc/68/78/12/1100687812.db2.gz UQOAIEHGWNLZCG-BZNIZROVSA-N 0 0 328.372 2.609 10 5 EFBERN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001635992755 1100691801 /nfs/dbraw/zinc/69/18/01/1100691801.db2.gz BMOZDAVJAHTCRO-HNNXBMFYSA-N 0 0 338.747 2.565 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001635991268 1100691805 /nfs/dbraw/zinc/69/18/05/1100691805.db2.gz ZCLBZSZPVUMQPE-HNNXBMFYSA-N 0 0 348.403 2.753 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3n[nH]nc32)c1 ZINC001636017284 1100693972 /nfs/dbraw/zinc/69/39/72/1100693972.db2.gz FOCWTXLZZXKOBC-UHFFFAOYSA-N 0 0 329.341 2.840 10 5 EFBERN CCOC(=O)c1n[nH]c(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1C ZINC001636020800 1100693987 /nfs/dbraw/zinc/69/39/87/1100693987.db2.gz LDBWWSBWYNWXIF-UHFFFAOYSA-N 0 0 346.343 2.618 10 5 EFBERN CC(C)(NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ncon1 ZINC001636037026 1100695664 /nfs/dbraw/zinc/69/56/64/1100695664.db2.gz CNFCECAGIADNCC-UHFFFAOYSA-N 0 0 338.751 2.615 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001636065708 1100697938 /nfs/dbraw/zinc/69/79/38/1100697938.db2.gz ONFPVFKATCZSGK-INIZCTEOSA-N 0 0 328.372 2.923 10 5 EFBERN O=C(NCc1cc2c([nH]c1=O)CCCC2)c1csc([N+](=O)[O-])c1 ZINC001636074087 1100699066 /nfs/dbraw/zinc/69/90/66/1100699066.db2.gz OOVSGWPXZJXTRF-UHFFFAOYSA-N 0 0 333.369 2.566 10 5 EFBERN C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001636136905 1100702321 /nfs/dbraw/zinc/70/23/21/1100702321.db2.gz KRKFKLQOXXFQSF-SMDDNHRTSA-N 0 0 326.356 2.795 10 5 EFBERN CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001636142752 1100702564 /nfs/dbraw/zinc/70/25/64/1100702564.db2.gz UALGZLUXNQMUDN-UHFFFAOYSA-N 0 0 335.747 2.808 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(CC2CC2)[nH]n1 ZINC001636205227 1100707188 /nfs/dbraw/zinc/70/71/88/1100707188.db2.gz LBCNPLBBQCXJEL-UHFFFAOYSA-N 0 0 330.344 2.921 10 5 EFBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)c2ccccc12 ZINC001636248960 1100709036 /nfs/dbraw/zinc/70/90/36/1100709036.db2.gz USTLZXRNWMNONH-UHFFFAOYSA-N 0 0 341.298 2.828 10 5 EFBERN O=C(Nc1ccccc1Oc1ccccn1)c1c[nH]nc1[N+](=O)[O-] ZINC001636478254 1100720935 /nfs/dbraw/zinc/72/09/35/1100720935.db2.gz VGQXWKSDLMQCPD-UHFFFAOYSA-N 0 0 325.284 2.758 10 5 EFBERN O=C(CNC(=O)COc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC001636491526 1100721740 /nfs/dbraw/zinc/72/17/40/1100721740.db2.gz VKMAVUHBJIIGOO-UHFFFAOYSA-N 0 0 334.372 2.629 10 5 EFBERN Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001636542898 1100724976 /nfs/dbraw/zinc/72/49/76/1100724976.db2.gz UNVUFUWPOUUITI-OAHLLOKOSA-N 0 0 325.368 2.854 10 5 EFBERN Nc1c(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)cccc1[N+](=O)[O-] ZINC001636614134 1100729990 /nfs/dbraw/zinc/72/99/90/1100729990.db2.gz VFSHOTCQJQLUKN-CJNGLKHVSA-N 0 0 329.331 2.932 10 5 EFBERN Cc1nocc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001636611289 1100730005 /nfs/dbraw/zinc/73/00/05/1100730005.db2.gz RRLCSOWJTUGGDX-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN CCn1cc(N(CC(C)C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001636618969 1100730385 /nfs/dbraw/zinc/73/03/85/1100730385.db2.gz RUDJEWPCGWPYTB-MRXNPFEDSA-N 0 0 346.387 2.534 10 5 EFBERN Cc1ccc(NC(=O)COc2cc(F)cc(F)c2)c(N)c1[N+](=O)[O-] ZINC001636723820 1100734052 /nfs/dbraw/zinc/73/40/52/1100734052.db2.gz BVEYFMAAPSIYMU-UHFFFAOYSA-N 0 0 337.282 2.781 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(C(C)C)[nH]c2=O)c(N)c1[N+](=O)[O-] ZINC001636729512 1100735025 /nfs/dbraw/zinc/73/50/25/1100735025.db2.gz ZEAHZOPFMLBXNY-UHFFFAOYSA-N 0 0 330.344 2.962 10 5 EFBERN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1C ZINC001141750403 1100737478 /nfs/dbraw/zinc/73/74/78/1100737478.db2.gz LBEHIFYABJHATB-UHFFFAOYSA-N 0 0 342.399 2.742 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2CCCC[C@H]2O)cc2ccccc2c1[N+](=O)[O-] ZINC001636817169 1100739270 /nfs/dbraw/zinc/73/92/70/1100739270.db2.gz WAVCBOQZLCGXIH-SWLSCSKDSA-N 0 0 343.383 2.611 10 5 EFBERN COc1ccc2c(=O)[nH]n(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])c2c1 ZINC001636905639 1100744517 /nfs/dbraw/zinc/74/45/17/1100744517.db2.gz LMDGTTMYNSNVLZ-UHFFFAOYSA-N 0 0 345.286 2.681 10 5 EFBERN COc1ccnc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001636987722 1100748565 /nfs/dbraw/zinc/74/85/65/1100748565.db2.gz DTUKJVWHKWATIR-UHFFFAOYSA-N 0 0 335.747 2.511 10 5 EFBERN CNc1nccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c1[N+](=O)[O-] ZINC001637055767 1100754731 /nfs/dbraw/zinc/75/47/31/1100754731.db2.gz JXUNISBJEFISME-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccncn1 ZINC001637099876 1100756533 /nfs/dbraw/zinc/75/65/33/1100756533.db2.gz VOSLTBIZKQJZOR-UTCJRWHESA-N 0 0 327.344 2.857 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2ncccc12 ZINC001637099504 1100757008 /nfs/dbraw/zinc/75/70/08/1100757008.db2.gz OPCYJDFDIHSIKL-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(Cl)ccc1N ZINC001637126790 1100758815 /nfs/dbraw/zinc/75/88/15/1100758815.db2.gz JWPNHZSCSDVPCD-UHFFFAOYSA-N 0 0 335.747 2.769 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NOC/C=C\Cl ZINC001637189545 1100763225 /nfs/dbraw/zinc/76/32/25/1100763225.db2.gz LEVRHWHDMYNGOD-IHWYPQMZSA-N 0 0 348.142 2.621 10 5 EFBERN C[C@]1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC001637200922 1100764116 /nfs/dbraw/zinc/76/41/16/1100764116.db2.gz QSXUGUWMMFSBHP-KRWDZBQOSA-N 0 0 327.340 2.604 10 5 EFBERN Nc1ccc(NC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC001637201175 1100764287 /nfs/dbraw/zinc/76/42/87/1100764287.db2.gz SJTLFQPLESQDAA-KCJUWKMLSA-N 0 0 333.266 2.616 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])CCO2 ZINC001637245630 1100767376 /nfs/dbraw/zinc/76/73/76/1100767376.db2.gz CPSGOHPUGXYKRN-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN CC[C@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)ccn1 ZINC001637266138 1100768248 /nfs/dbraw/zinc/76/82/48/1100768248.db2.gz RBQCMPHLVYFWOM-NSHDSACASA-N 0 0 344.371 2.679 10 5 EFBERN O=C(N[C@H](c1ccccc1)C(F)F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001637270644 1100768424 /nfs/dbraw/zinc/76/84/24/1100768424.db2.gz YADSOGNFDQTKEO-MRVPVSSYSA-N 0 0 330.678 2.708 10 5 EFBERN Cc1ccccc1-c1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC001637272269 1100769472 /nfs/dbraw/zinc/76/94/72/1100769472.db2.gz WRGZMQNINIMWEM-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001637281059 1100769946 /nfs/dbraw/zinc/76/99/46/1100769946.db2.gz JXODPACGTSCABB-QLJPJBMISA-N 0 0 347.346 2.822 10 5 EFBERN CC(=O)OCC(C)(C)CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001637288464 1100770095 /nfs/dbraw/zinc/77/00/95/1100770095.db2.gz KQQAYLDXDCNJDM-UHFFFAOYSA-N 0 0 334.372 2.772 10 5 EFBERN C[C@@H](O)[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637433485 1100782577 /nfs/dbraw/zinc/78/25/77/1100782577.db2.gz QEMQGIHIUOEXGI-ZWNOBZJWSA-N 0 0 326.780 2.553 10 5 EFBERN Cc1csc([C@H]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)C2)n1 ZINC001637460212 1100784076 /nfs/dbraw/zinc/78/40/76/1100784076.db2.gz HCPXNRYKJDFBSF-NSHDSACASA-N 0 0 346.412 2.880 10 5 EFBERN Cc1cc(NC(=O)c2cnn(C)c2-n2cccc2)cc([N+](=O)[O-])c1 ZINC001637525599 1100788000 /nfs/dbraw/zinc/78/80/00/1100788000.db2.gz YPIOUWPSDGDLKT-UHFFFAOYSA-N 0 0 325.328 2.680 10 5 EFBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H](O)c1ccccc1 ZINC001637589356 1100793032 /nfs/dbraw/zinc/79/30/32/1100793032.db2.gz UXEHZGNXFHPEBD-HOCLYGCPSA-N 0 0 344.367 2.845 10 5 EFBERN CCOC(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001637702400 1100800907 /nfs/dbraw/zinc/80/09/07/1100800907.db2.gz XMSGLRSSUQFPNM-AWEZNQCLSA-N 0 0 349.387 2.530 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC001637701801 1100800923 /nfs/dbraw/zinc/80/09/23/1100800923.db2.gz BUFKUQHCOQHTBJ-HNNXBMFYSA-N 0 0 341.371 2.644 10 5 EFBERN Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001637702207 1100801351 /nfs/dbraw/zinc/80/13/51/1100801351.db2.gz QSALNSJRXACOQW-NWDGAFQWSA-N 0 0 325.315 2.700 10 5 EFBERN CCn1ccnc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001637728417 1100802215 /nfs/dbraw/zinc/80/22/15/1100802215.db2.gz QEZMIBFSMZCBMK-UHFFFAOYSA-N 0 0 346.390 2.828 10 5 EFBERN O=C(Nc1cccc(-c2ncco2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001637740421 1100803213 /nfs/dbraw/zinc/80/32/13/1100803213.db2.gz GMSVRRFXJAWRLO-OAHLLOKOSA-N 0 0 339.307 2.922 10 5 EFBERN CCC[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C1CCC1 ZINC001637772264 1100804368 /nfs/dbraw/zinc/80/43/68/1100804368.db2.gz YWRJSAVFKSTZQT-AWEZNQCLSA-N 0 0 343.387 2.874 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc2c(c1)CCC2 ZINC001637760733 1100804623 /nfs/dbraw/zinc/80/46/23/1100804623.db2.gz IHSUPPLDMRIXAD-SNVBAGLBSA-N 0 0 326.356 2.552 10 5 EFBERN CC[C@H](C)n1nccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001637907280 1100816458 /nfs/dbraw/zinc/81/64/58/1100816458.db2.gz XIEUGGQVCOUDQV-VIFPVBQESA-N 0 0 328.332 2.891 10 5 EFBERN CC1=C(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC001638000993 1100824571 /nfs/dbraw/zinc/82/45/71/1100824571.db2.gz AHXKDKRUGJNUTF-UHFFFAOYSA-N 0 0 344.371 2.604 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1 ZINC001638032951 1100825859 /nfs/dbraw/zinc/82/58/59/1100825859.db2.gz SOPOGKLAWJTUQE-AWEZNQCLSA-N 0 0 331.416 2.992 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccccc1Oc1cccnc1 ZINC001638118990 1100835626 /nfs/dbraw/zinc/83/56/26/1100835626.db2.gz DLSSTDYUWXMQFT-UHFFFAOYSA-N 0 0 325.284 2.758 10 5 EFBERN C[C@H](NC(=O)NCc1cc(C2CC2)n(C)n1)c1ccccc1[N+](=O)[O-] ZINC001638144025 1100836903 /nfs/dbraw/zinc/83/69/03/1100836903.db2.gz PVFVWGBTYZCWFA-NSHDSACASA-N 0 0 343.387 2.766 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001638161501 1100839358 /nfs/dbraw/zinc/83/93/58/1100839358.db2.gz WMCYYSQLBJQSNK-CYBMUJFWSA-N 0 0 343.387 2.638 10 5 EFBERN CNc1ccc(C(=O)Nc2ccccc2C[S@](C)=O)cc1[N+](=O)[O-] ZINC001638227393 1100842930 /nfs/dbraw/zinc/84/29/30/1100842930.db2.gz RETHHGOSLIMPSW-DEOSSOPVSA-N 0 0 347.396 2.767 10 5 EFBERN CC(=O)c1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC001638259576 1100844877 /nfs/dbraw/zinc/84/48/77/1100844877.db2.gz MZGNPWOOIKUEGX-INIZCTEOSA-N 0 0 328.324 2.778 10 5 EFBERN Cc1noc(C)c1NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC001638292526 1100847335 /nfs/dbraw/zinc/84/73/35/1100847335.db2.gz SRMYJIKPIHGANF-UHFFFAOYSA-N 0 0 341.121 2.609 10 5 EFBERN CN(C)c1cccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001638322637 1100849672 /nfs/dbraw/zinc/84/96/72/1100849672.db2.gz DZIVXWYTQRRQTC-UHFFFAOYSA-N 0 0 334.763 2.890 10 5 EFBERN COC(=O)c1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC001638342392 1100850363 /nfs/dbraw/zinc/85/03/63/1100850363.db2.gz CSPOUKCFMBOTGR-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN CCOC(=O)C1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001638358701 1100851300 /nfs/dbraw/zinc/85/13/00/1100851300.db2.gz ZHCIXQXCTXYDMZ-GFCCVEGCSA-N 0 0 349.387 2.641 10 5 EFBERN Cc1nnc(-c2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2)o1 ZINC001638381099 1100854436 /nfs/dbraw/zinc/85/44/36/1100854436.db2.gz CTIFUBSJBROTRK-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC001638611361 1100872365 /nfs/dbraw/zinc/87/23/65/1100872365.db2.gz FGQLQHQWUIDIHT-RHSMWYFYSA-N 0 0 330.315 2.971 10 5 EFBERN Cc1ccccc1C[C@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001638658747 1100876704 /nfs/dbraw/zinc/87/67/04/1100876704.db2.gz MGOJTMCUCIDXQC-CYBMUJFWSA-N 0 0 348.786 2.890 10 5 EFBERN CCc1csc([C@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n1 ZINC001638682096 1100878765 /nfs/dbraw/zinc/87/87/65/1100878765.db2.gz MVZDKJHYSPUCRD-QMMMGPOBSA-N 0 0 345.384 2.981 10 5 EFBERN CCc1csc([C@@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n1 ZINC001638682095 1100879221 /nfs/dbraw/zinc/87/92/21/1100879221.db2.gz MVZDKJHYSPUCRD-MRVPVSSYSA-N 0 0 345.384 2.981 10 5 EFBERN CC[C@H](CNc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001638715295 1100880627 /nfs/dbraw/zinc/88/06/27/1100880627.db2.gz ZGGWRVCWPSLVQI-CYBMUJFWSA-N 0 0 328.372 2.798 10 5 EFBERN Cc1nnc2ccc(C(=O)Nc3nccc4c3cccc4[N+](=O)[O-])cn12 ZINC001638851391 1100891743 /nfs/dbraw/zinc/89/17/43/1100891743.db2.gz HOWOXGRATMZYEL-UHFFFAOYSA-N 0 0 348.322 2.746 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CCO)c1ccccc1F ZINC001638882533 1100894711 /nfs/dbraw/zinc/89/47/11/1100894711.db2.gz JIRWXVWPCPAGJO-MRXNPFEDSA-N 0 0 332.331 2.516 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1NC(C)=O ZINC001638896153 1100896553 /nfs/dbraw/zinc/89/65/53/1100896553.db2.gz MKACBRUVQPSGBG-UHFFFAOYSA-N 0 0 342.355 2.776 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2cc(C)nn2c1C ZINC001638891818 1100896594 /nfs/dbraw/zinc/89/65/94/1100896594.db2.gz BFGDBXLVPLMCAM-UHFFFAOYSA-N 0 0 340.343 2.548 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COCCOc1ccccc1 ZINC001638893304 1100896701 /nfs/dbraw/zinc/89/67/01/1100896701.db2.gz WBGDASIAESMVPW-UHFFFAOYSA-N 0 0 345.355 2.671 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(CC(F)(F)F)n1 ZINC001638909621 1100896926 /nfs/dbraw/zinc/89/69/26/1100896926.db2.gz KUMNSRIIJIHHLY-UHFFFAOYSA-N 0 0 343.265 2.648 10 5 EFBERN CCc1[nH]c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)cc1C ZINC001638896640 1100897100 /nfs/dbraw/zinc/89/71/00/1100897100.db2.gz WVNMGSGMKGMSRL-UHFFFAOYSA-N 0 0 330.344 2.860 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C=O)ccc1OC ZINC001638896671 1100897322 /nfs/dbraw/zinc/89/73/22/1100897322.db2.gz XOMZOCNKOFSQEY-UHFFFAOYSA-N 0 0 329.312 2.710 10 5 EFBERN CC(C)[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC001638936323 1100900511 /nfs/dbraw/zinc/90/05/11/1100900511.db2.gz JEGJXMLWSWXGIX-CQSZACIVSA-N 0 0 342.399 2.817 10 5 EFBERN CC1(C)C[C@]1(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC001638953392 1100901850 /nfs/dbraw/zinc/90/18/50/1100901850.db2.gz IFRLVERYQBUODT-SFHVURJKSA-N 0 0 341.367 2.793 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(c2ccccc2)CCCO1 ZINC001638984754 1100903083 /nfs/dbraw/zinc/90/30/83/1100903083.db2.gz MMGBLFGSWMIHKG-SFHVURJKSA-N 0 0 341.367 2.613 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2n[nH]cc2c1 ZINC001639083156 1100911466 /nfs/dbraw/zinc/91/14/66/1100911466.db2.gz RLIKKILITZQKAW-UHFFFAOYSA-N 0 0 332.266 2.679 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc2[nH]ccc2n1 ZINC001639088009 1100912348 /nfs/dbraw/zinc/91/23/48/1100912348.db2.gz RDYRBJLVEWBZJV-UHFFFAOYSA-N 0 0 332.266 2.679 10 5 EFBERN COc1ccc2[nH]c([C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-])nc2c1 ZINC001639161975 1100921186 /nfs/dbraw/zinc/92/11/86/1100921186.db2.gz YDYRPQAUPKOCES-JTQLQIEISA-N 0 0 334.376 2.584 10 5 EFBERN C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1cnccn1 ZINC001639213866 1100925327 /nfs/dbraw/zinc/92/53/27/1100925327.db2.gz XJKXYMUKKHCFBX-QMMMGPOBSA-N 0 0 338.726 2.597 10 5 EFBERN CC1(C)CCC[C@@H](OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000840224037 1100928464 /nfs/dbraw/zinc/92/84/64/1100928464.db2.gz NAMNSMIYWAZTCX-CYBMUJFWSA-N 0 0 339.319 2.804 10 5 EFBERN COc1cc(C(=O)NC2CC(Cl)(Cl)C2)c([N+](=O)[O-])cc1F ZINC001639270979 1100932891 /nfs/dbraw/zinc/93/28/91/1100932891.db2.gz RGAQAKKIMZBOGX-UHFFFAOYSA-N 0 0 337.134 2.809 10 5 EFBERN Nc1nc2c(s1)CN(c1c3cc(F)ccc3ncc1[N+](=O)[O-])CC2 ZINC001639271819 1100932920 /nfs/dbraw/zinc/93/29/20/1100932920.db2.gz AKPJCDPUKFGJAR-UHFFFAOYSA-N 0 0 345.359 2.884 10 5 EFBERN CCOC(=O)c1cc(C(=O)NCC=C(Cl)Cl)cc([N+](=O)[O-])c1 ZINC001639332180 1100938452 /nfs/dbraw/zinc/93/84/52/1100938452.db2.gz KJWUFFHUBFMPRE-UHFFFAOYSA-N 0 0 347.154 2.820 10 5 EFBERN COc1cc(C(=O)Nc2cc(=O)c(Cl)c[nH]2)c([N+](=O)[O-])cc1F ZINC001639378076 1100941732 /nfs/dbraw/zinc/94/17/32/1100941732.db2.gz SHHRXCZGOYBMMS-UHFFFAOYSA-N 0 0 341.682 2.749 10 5 EFBERN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)c1nn(C)cc1[N+](=O)[O-] ZINC001639368743 1100941938 /nfs/dbraw/zinc/94/19/38/1100941938.db2.gz ZWZBUSJCHRZLPE-HOCLYGCPSA-N 0 0 330.388 2.932 10 5 EFBERN CC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC001639488313 1100955290 /nfs/dbraw/zinc/95/52/90/1100955290.db2.gz VMGJLALVKUZUHM-GFCCVEGCSA-N 0 0 325.328 2.747 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001639493188 1100956474 /nfs/dbraw/zinc/95/64/74/1100956474.db2.gz NUKLHFMKRKYRFX-UHFFFAOYSA-N 0 0 334.723 2.644 10 5 EFBERN C[C@@H]1CN=C(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)S1 ZINC001639571462 1100961946 /nfs/dbraw/zinc/96/19/46/1100961946.db2.gz JUAJCRUFXGXMDU-MRVPVSSYSA-N 0 0 330.369 2.551 10 5 EFBERN C[C@H]1CN=C(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)S1 ZINC001639571463 1100962576 /nfs/dbraw/zinc/96/25/76/1100962576.db2.gz JUAJCRUFXGXMDU-QMMMGPOBSA-N 0 0 330.369 2.551 10 5 EFBERN CC1(C)CC[C@@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)OC1 ZINC001639637727 1100968769 /nfs/dbraw/zinc/96/87/69/1100968769.db2.gz DWOVEIMVHFZUPB-NSHDSACASA-N 0 0 339.367 2.641 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[C@@H]1CCCC[C@@H]1O ZINC001639668375 1100972810 /nfs/dbraw/zinc/97/28/10/1100972810.db2.gz PJPUWTGFXMCUSH-SJCJKPOMSA-N 0 0 345.399 2.676 10 5 EFBERN C[C@@]1(C(=O)OCc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000840278811 1100973138 /nfs/dbraw/zinc/97/31/38/1100973138.db2.gz TUNOPBFGXAQKFH-ZDUSSCGKSA-N 0 0 344.161 2.970 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCC[C@H]3CCCCO3)c2c1 ZINC001639685538 1100973497 /nfs/dbraw/zinc/97/34/97/1100973497.db2.gz GLFSDQVJJYEZMC-GFCCVEGCSA-N 0 0 331.372 2.945 10 5 EFBERN COc1cccc(C2=CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)c1 ZINC001639695703 1100975012 /nfs/dbraw/zinc/97/50/12/1100975012.db2.gz JUOOSHAYKKFAMV-UHFFFAOYSA-N 0 0 339.351 2.606 10 5 EFBERN O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001639694081 1100975408 /nfs/dbraw/zinc/97/54/08/1100975408.db2.gz HAUHJMIFEZAAOP-QWRGUYRKSA-N 0 0 332.385 2.766 10 5 EFBERN C[C@@H]1C[C@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCO1 ZINC001639706998 1100976275 /nfs/dbraw/zinc/97/62/75/1100976275.db2.gz HVCLUGNMYYXMRI-GHMZBOCLSA-N 0 0 346.343 2.700 10 5 EFBERN CCc1[nH]nc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1C ZINC001639747101 1100979799 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O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1CCn2ccnc21 ZINC001639946006 1100996773 /nfs/dbraw/zinc/99/67/73/1100996773.db2.gz PBDDZVRJHFPVIY-LLVKDONJSA-N 0 0 329.747 2.972 10 5 EFBERN CC1(C)C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 ZINC000840313052 1100997650 /nfs/dbraw/zinc/99/76/50/1100997650.db2.gz VJBUNZFWOFIMEV-JTQLQIEISA-N 0 0 335.360 2.543 10 5 EFBERN Cc1ccnc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])c1 ZINC001639960543 1100997917 /nfs/dbraw/zinc/99/79/17/1100997917.db2.gz VZAZXOFAHCMCRO-UHFFFAOYSA-N 0 0 339.311 2.789 10 5 EFBERN CCc1c(C)nc2ncnn2c1Oc1ccc([N+](=O)[O-])c(F)c1F ZINC001639972967 1100999110 /nfs/dbraw/zinc/99/91/10/1100999110.db2.gz JWOSHRRQKYANLA-UHFFFAOYSA-N 0 0 335.270 2.974 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(OC(F)F)cn2)c(N)c1[N+](=O)[O-] ZINC001639997177 1101000925 /nfs/dbraw/zinc/00/09/25/1101000925.db2.gz CZIPLIHTGGQJAJ-UHFFFAOYSA-N 0 0 338.270 2.734 10 5 EFBERN CC1(C)[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@@H]1c1ccccc1 ZINC001640009129 1101002255 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1101025696 /nfs/dbraw/zinc/02/56/96/1101025696.db2.gz MKQUTADOTDANGA-KBPBESRZSA-N 0 0 335.360 2.536 10 5 EFBERN COc1ccc(CCNc2ncnc3sc([N+](=O)[O-])cc32)cn1 ZINC001640242557 1101028476 /nfs/dbraw/zinc/02/84/76/1101028476.db2.gz DRJZJUHJFWNYJI-UHFFFAOYSA-N 0 0 331.357 2.658 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(CCO)cc1 ZINC001640241966 1101028722 /nfs/dbraw/zinc/02/87/22/1101028722.db2.gz IBIREDWCKHMTMY-UHFFFAOYSA-N 0 0 346.408 2.538 10 5 EFBERN CCc1cc(NC[C@H]2C[C@H](OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001640350228 1101038255 /nfs/dbraw/zinc/03/82/55/1101038255.db2.gz DBSDOLGSLSABFK-YGUOUDRMSA-N 0 0 342.399 2.873 10 5 EFBERN COc1cccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC001640354085 1101038331 /nfs/dbraw/zinc/03/83/31/1101038331.db2.gz OFYRIDNIQLIAKK-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC001640388259 1101040896 /nfs/dbraw/zinc/04/08/96/1101040896.db2.gz XNRMXCCCBHJMLC-HNNXBMFYSA-N 0 0 341.371 2.643 10 5 EFBERN COC(=O)Cc1ccc(NCC[C@@H]2CC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001640392612 1101042011 /nfs/dbraw/zinc/04/20/11/1101042011.db2.gz AFLIBDDOSKPGLU-CYBMUJFWSA-N 0 0 336.388 2.927 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1CC ZINC001640393313 1101042238 /nfs/dbraw/zinc/04/22/38/1101042238.db2.gz ZMYUCUZVRKRNOB-LKFCYVNXSA-N 0 0 345.758 2.761 10 5 EFBERN Cc1nnc(C2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)[nH]1 ZINC001640407770 1101044114 /nfs/dbraw/zinc/04/41/14/1101044114.db2.gz JOAWEJSBQSEXFW-UHFFFAOYSA-N 0 0 336.355 2.687 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1nc(C)c(C)[nH]1 ZINC001640434936 1101046036 /nfs/dbraw/zinc/04/60/36/1101046036.db2.gz OVFGTJYCNLFIHA-UHFFFAOYSA-N 0 0 338.751 2.987 10 5 EFBERN C[C@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC001640452916 1101047787 /nfs/dbraw/zinc/04/77/87/1101047787.db2.gz LGRJDQKPIMVPPY-QWRGUYRKSA-N 0 0 335.385 2.521 10 5 EFBERN Cc1cccn2c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cnc12 ZINC001640457521 1101049408 /nfs/dbraw/zinc/04/94/08/1101049408.db2.gz DINYLOWKMWSVGW-UHFFFAOYSA-N 0 0 329.291 2.525 10 5 EFBERN CNS(=O)(=O)c1ccc(N[C@@H]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001640464551 1101050107 /nfs/dbraw/zinc/05/01/07/1101050107.db2.gz AEFOTZUPRSUZEG-LLVKDONJSA-N 0 0 339.417 2.638 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2nc3c(o2)CCCC3)cc([N+](=O)[O-])c1 ZINC001640471876 1101050966 /nfs/dbraw/zinc/05/09/66/1101050966.db2.gz GDUJTAHZZCGGLY-UHFFFAOYSA-N 0 0 345.311 2.501 10 5 EFBERN COC(=O)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])CC1CCCC1 ZINC001640510838 1101054458 /nfs/dbraw/zinc/05/44/58/1101054458.db2.gz SXRIHMQAYCEFTO-LLVKDONJSA-N 0 0 341.795 2.847 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCc2cn(C3CCC3)nn2)cc1[N+](=O)[O-] ZINC001640516691 1101054834 /nfs/dbraw/zinc/05/48/34/1101054834.db2.gz AGEUNVNDLRMQJG-UHFFFAOYSA-N 0 0 349.778 2.803 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NCCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC001640516791 1101054965 /nfs/dbraw/zinc/05/49/65/1101054965.db2.gz BPFMEZSXHKHKDS-UHFFFAOYSA-N 0 0 349.412 2.595 10 5 EFBERN COC(=O)[C@@]1(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC001640543321 1101056998 /nfs/dbraw/zinc/05/69/98/1101056998.db2.gz LDWRHHLSBDWCNV-CYBMUJFWSA-N 0 0 349.170 2.893 10 5 EFBERN Cc1ccc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001640690368 1101071923 /nfs/dbraw/zinc/07/19/23/1101071923.db2.gz NKZFNRXANUGRJH-UHFFFAOYSA-N 0 0 349.387 2.642 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001640724101 1101074162 /nfs/dbraw/zinc/07/41/62/1101074162.db2.gz CVDXOEBPJQRCGG-UHFFFAOYSA-N 0 0 336.325 2.785 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@H](C)CCO1 ZINC001640731074 1101074540 /nfs/dbraw/zinc/07/45/40/1101074540.db2.gz GIGQEOZVTZYJEY-VXGBXAGGSA-N 0 0 344.371 2.624 10 5 EFBERN Cc1ccccc1NC(=O)CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001640724870 1101074574 /nfs/dbraw/zinc/07/45/74/1101074574.db2.gz STZHYHAKVUKHBW-UHFFFAOYSA-N 0 0 348.380 2.624 10 5 EFBERN O=[N+]([O-])c1ncccc1CSc1nnnn1-c1ccc(Cl)cc1 ZINC001640728662 1101074852 /nfs/dbraw/zinc/07/48/52/1101074852.db2.gz VVBKZZDQEGTPDZ-UHFFFAOYSA-N 0 0 348.775 2.911 10 5 EFBERN Cc1cc2nccc(NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)n2n1 ZINC001168038268 1101078977 /nfs/dbraw/zinc/07/89/77/1101078977.db2.gz RURCREZHSARSER-UHFFFAOYSA-N 0 0 349.709 2.991 10 5 EFBERN Cc1ccc(F)c(CCNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC001640832544 1101081382 /nfs/dbraw/zinc/08/13/82/1101081382.db2.gz HPUQIOCQOBILHN-UHFFFAOYSA-N 0 0 331.347 2.813 10 5 EFBERN CCc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC001640860914 1101085030 /nfs/dbraw/zinc/08/50/30/1101085030.db2.gz ZSRNJNYRDIBQAR-INIZCTEOSA-N 0 0 330.340 2.838 10 5 EFBERN Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc12 ZINC001640896989 1101086142 /nfs/dbraw/zinc/08/61/42/1101086142.db2.gz PAPFJDKREIZZAL-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN CC1(C)CCC[C@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)O1 ZINC001641008265 1101094923 /nfs/dbraw/zinc/09/49/23/1101094923.db2.gz LHNOQOWCRSIVQX-CYBMUJFWSA-N 0 0 333.344 2.759 10 5 EFBERN CC(=O)c1cccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c1 ZINC001641008263 1101094992 /nfs/dbraw/zinc/09/49/92/1101094992.db2.gz LGLLIEPRYWEKBY-UHFFFAOYSA-N 0 0 339.307 2.662 10 5 EFBERN CCc1ccc2nc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)sc2c1 ZINC001641097571 1101102564 /nfs/dbraw/zinc/10/25/64/1101102564.db2.gz RZUAYJRVOWVYMT-UHFFFAOYSA-N 0 0 343.368 2.996 10 5 EFBERN O=c1c2cc([N+](=O)[O-])sc2ncn1CCCOc1ccccc1 ZINC001641118517 1101104061 /nfs/dbraw/zinc/10/40/61/1101104061.db2.gz QDQASMNUXMLYDR-UHFFFAOYSA-N 0 0 331.353 2.835 10 5 EFBERN O=C(COc1ccsc1[N+](=O)[O-])NCc1cc(F)cc(F)c1 ZINC001641139475 1101106051 /nfs/dbraw/zinc/10/60/51/1101106051.db2.gz IMSKFHZTYNSTJZ-UHFFFAOYSA-N 0 0 328.296 2.630 10 5 EFBERN Cc1cc(Br)ccc1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001641159793 1101109035 /nfs/dbraw/zinc/10/90/35/1101109035.db2.gz GEHRVPYUTZOZMI-UHFFFAOYSA-N 0 0 341.121 2.819 10 5 EFBERN O=C(Cn1c(=O)sc2c1cccc2F)c1cccc([N+](=O)[O-])c1 ZINC001641155340 1101109176 /nfs/dbraw/zinc/10/91/76/1101109176.db2.gz BVDZGHVRUHPRPD-UHFFFAOYSA-N 0 0 332.312 2.993 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001641233219 1101117614 /nfs/dbraw/zinc/11/76/14/1101117614.db2.gz MSBXSXHWEILWDC-ZIAGYGMSSA-N 0 0 348.399 2.615 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC(c2ccc(F)cc2)C1 ZINC001641355389 1101128356 /nfs/dbraw/zinc/12/83/56/1101128356.db2.gz SLUGVFGHGMMYQV-UHFFFAOYSA-N 0 0 345.286 2.882 10 5 EFBERN Cc1ccc(C=O)c(OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001641391320 1101131585 /nfs/dbraw/zinc/13/15/85/1101131585.db2.gz DXNGPABXSGKDHX-UHFFFAOYSA-N 0 0 328.324 2.758 10 5 EFBERN Cc1nc(Cl)n(Cc2cc([N+](=O)[O-])ccc2Br)n1 ZINC001641426131 1101135482 /nfs/dbraw/zinc/13/54/82/1101135482.db2.gz CVXBJVOYUBEHCG-UHFFFAOYSA-N 0 0 331.557 2.959 10 5 EFBERN C[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ncc[nH]1 ZINC001641435069 1101135916 /nfs/dbraw/zinc/13/59/16/1101135916.db2.gz GWTKUQYQKGUWQT-SECBINFHSA-N 0 0 325.328 2.544 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@H](CO)c2ccccn2)cc1[N+](=O)[O-] ZINC001641446412 1101136520 /nfs/dbraw/zinc/13/65/20/1101136520.db2.gz CDLPFWWSQHAJNR-OAHLLOKOSA-N 0 0 343.383 2.751 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC001641614572 1101150663 /nfs/dbraw/zinc/15/06/63/1101150663.db2.gz IKGURUKPJPHSHO-WCQYABFASA-N 0 0 336.392 2.519 10 5 EFBERN CCO/C=C\C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000840585699 1101151472 /nfs/dbraw/zinc/15/14/72/1101151472.db2.gz DWGZCSOJOQOFRG-ATJFRQLMSA-N 0 0 342.735 2.669 10 5 EFBERN COCC(C)(C)CC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000840592342 1101153637 /nfs/dbraw/zinc/15/36/37/1101153637.db2.gz QCCUNKSMCWBTSC-UHFFFAOYSA-N 0 0 349.343 2.751 10 5 EFBERN O=C(COc1ccc(O)cc1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001641690599 1101156420 /nfs/dbraw/zinc/15/64/20/1101156420.db2.gz SHFMRXIHEJULHU-UHFFFAOYSA-N 0 0 339.307 2.866 10 5 EFBERN CO[C@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)C1CCC1 ZINC001641703261 1101158069 /nfs/dbraw/zinc/15/80/69/1101158069.db2.gz QKPOZKVXJGHQNG-AWEZNQCLSA-N 0 0 330.344 2.739 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCc2ccc(O)cc21 ZINC001641725454 1101159851 /nfs/dbraw/zinc/15/98/51/1101159851.db2.gz DUCDEHVVRWPIGQ-HNNXBMFYSA-N 0 0 330.315 2.786 10 5 EFBERN CCc1csc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)n1 ZINC001642412465 1101211620 /nfs/dbraw/zinc/21/16/20/1101211620.db2.gz PPIVHLWHLCRETQ-UHFFFAOYSA-N 0 0 330.163 2.527 10 5 EFBERN CS[C@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001641832727 1101168060 /nfs/dbraw/zinc/16/80/60/1101168060.db2.gz HMVATFSIXSPPHT-UMSPYCQHSA-N 0 0 332.385 2.609 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc2n[nH]nc21 ZINC001641968648 1101179978 /nfs/dbraw/zinc/17/99/78/1101179978.db2.gz KWKCMQOCAMFELK-UHFFFAOYSA-N 0 0 345.290 2.656 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)n[nH]c1C ZINC001641968662 1101180103 /nfs/dbraw/zinc/18/01/03/1101180103.db2.gz LPYUIFYDFYQOLE-UHFFFAOYSA-N 0 0 332.360 2.905 10 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/nfs/dbraw/zinc/20/37/12/1101203712.db2.gz YKKAHPCUWTUXPB-UHFFFAOYSA-N 0 0 330.369 2.824 10 5 EFBERN CSC[C@](C)(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001642309820 1101204765 /nfs/dbraw/zinc/20/47/65/1101204765.db2.gz NCBWSSVJXRXIRZ-CQSZACIVSA-N 0 0 341.820 2.744 10 5 EFBERN CCOC(=O)[C@H](C)CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001642359524 1101208284 /nfs/dbraw/zinc/20/82/84/1101208284.db2.gz NGHKGZUJIWUFJJ-SECBINFHSA-N 0 0 337.763 2.829 10 5 EFBERN CC(C)N1C(=O)C[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1=O ZINC001642356848 1101208601 /nfs/dbraw/zinc/20/86/01/1101208601.db2.gz UQKCRCKFZNQWHF-JTQLQIEISA-N 0 0 345.277 2.561 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn([C@H]3CCCCO3)c2)c1 ZINC001642385188 1101209649 /nfs/dbraw/zinc/20/96/49/1101209649.db2.gz JVNCYIKUHSDKSE-OAHLLOKOSA-N 0 0 346.343 2.751 10 5 EFBERN CC(C)(C)N1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1=O ZINC001642376634 1101209961 /nfs/dbraw/zinc/20/99/61/1101209961.db2.gz CZARYISIPIWEOT-GFCCVEGCSA-N 0 0 332.404 2.680 10 5 EFBERN CCn1c(Sc2nccnc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001642405108 1101210743 /nfs/dbraw/zinc/21/07/43/1101210743.db2.gz TUSBHYLBCOPJDK-UHFFFAOYSA-N 0 0 346.347 2.954 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccccc2-c2ncc[nH]2)n1 ZINC001642447176 1101214266 /nfs/dbraw/zinc/21/42/66/1101214266.db2.gz GJYCNOLOEPTPJI-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN COC(=O)c1cc(C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001642462434 1101215221 /nfs/dbraw/zinc/21/52/21/1101215221.db2.gz YFBIPNMWLSJMIJ-SNVBAGLBSA-N 0 0 345.355 2.551 10 5 EFBERN COc1ccc(C(=O)CNC(=O)c2cccc(C)c2C)cc1[N+](=O)[O-] ZINC001642520416 1101219475 /nfs/dbraw/zinc/21/94/75/1101219475.db2.gz VXWPIJADIVKXGK-UHFFFAOYSA-N 0 0 342.351 2.833 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCc1cnccn1 ZINC001642516705 1101219871 /nfs/dbraw/zinc/21/98/71/1101219871.db2.gz XBLUTRSPYFIWRM-UHFFFAOYSA-N 0 0 329.747 2.663 10 5 EFBERN Cn1ccc(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 ZINC001642542309 1101221442 /nfs/dbraw/zinc/22/14/42/1101221442.db2.gz SSRXZZGEIQWZNZ-UHFFFAOYSA-N 0 0 332.751 2.580 10 5 EFBERN CCOC(=O)[C@@](C)(O)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642548783 1101221624 /nfs/dbraw/zinc/22/16/24/1101221624.db2.gz ZSBXGDAOWVPCPS-LBPRGKRZSA-N 0 0 337.159 2.628 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCc1noc(-c2cccs2)n1 ZINC001642566167 1101224003 /nfs/dbraw/zinc/22/40/03/1101224003.db2.gz ZYNAKEFUANXSQK-UHFFFAOYSA-N 0 0 337.748 2.789 10 5 EFBERN CCOc1cc(N[C@H](Cc2ccccc2)C(=O)NC)ccc1[N+](=O)[O-] ZINC001642565057 1101224312 /nfs/dbraw/zinc/22/43/12/1101224312.db2.gz IWJRFTDXGYPESH-OAHLLOKOSA-N 0 0 343.383 2.763 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnn3c2CCCC3)cc1[N+](=O)[O-] ZINC001642632647 1101228857 /nfs/dbraw/zinc/22/88/57/1101228857.db2.gz GZQYRUDRLQLWJZ-UHFFFAOYSA-N 0 0 345.315 2.597 10 5 EFBERN NC(=O)c1cc(NCc2nc(-c3cccs3)c[nH]2)ccc1[N+](=O)[O-] ZINC001642648371 1101229881 /nfs/dbraw/zinc/22/98/81/1101229881.db2.gz AAEYSMJAERMKHE-UHFFFAOYSA-N 0 0 343.368 2.757 10 5 EFBERN CN(CCc1cccc(Br)c1)c1nn(C)cc1[N+](=O)[O-] ZINC001642731522 1101236090 /nfs/dbraw/zinc/23/60/90/1101236090.db2.gz JITMBRCTNPEAOE-UHFFFAOYSA-N 0 0 339.193 2.770 10 5 EFBERN CC1(C)CCC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001642723177 1101236338 /nfs/dbraw/zinc/23/63/38/1101236338.db2.gz DEGLVHQGMNQSFL-GOSISDBHSA-N 0 0 347.415 2.840 10 5 EFBERN Cc1ccc(C[C@H](CO)Nc2nc3sccn3c2[N+](=O)[O-])cc1C ZINC001642761855 1101238597 /nfs/dbraw/zinc/23/85/97/1101238597.db2.gz BPNHIVZFFPEUMJ-CYBMUJFWSA-N 0 0 346.412 2.936 10 5 EFBERN COc1cccc2c1CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C2 ZINC001642772369 1101239871 /nfs/dbraw/zinc/23/98/71/1101239871.db2.gz CTRUQFINOMPOOW-UHFFFAOYSA-N 0 0 330.315 2.827 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3nccc(C(F)(F)F)n3)nc2c1 ZINC001642800525 1101243237 /nfs/dbraw/zinc/24/32/37/1101243237.db2.gz QVBIJMSUODTAEA-UHFFFAOYSA-N 0 0 338.249 2.892 10 5 EFBERN C/C(=C\C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001642841094 1101246877 /nfs/dbraw/zinc/24/68/77/1101246877.db2.gz CNZJZNNHLDQXHA-WYMLVPIESA-N 0 0 329.400 2.595 10 5 EFBERN CC1(C)C(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC001642846432 1101248195 /nfs/dbraw/zinc/24/81/95/1101248195.db2.gz HFDLFOCQHJHIPH-UHFFFAOYSA-N 0 0 345.443 2.921 10 5 EFBERN CCc1occc1C(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001642851747 1101249082 /nfs/dbraw/zinc/24/90/82/1101249082.db2.gz SZNZJESOXROHJX-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN COc1ccccc1-c1cc(CNc2ncc([N+](=O)[O-])cn2)on1 ZINC001642989897 1101262755 /nfs/dbraw/zinc/26/27/55/1101262755.db2.gz KWOQJJSLANXKAE-UHFFFAOYSA-N 0 0 327.300 2.661 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c(Cl)c1 ZINC001643044189 1101266255 /nfs/dbraw/zinc/26/62/55/1101266255.db2.gz KHMJHJQWYKYQAP-HZPDHXFCSA-N 0 0 334.759 2.877 10 5 EFBERN COC(=O)c1ccnc(NCc2noc3ccc(F)cc23)c1[N+](=O)[O-] ZINC001643075587 1101268803 /nfs/dbraw/zinc/26/88/03/1101268803.db2.gz ZXHBOKYKCWWGJV-UHFFFAOYSA-N 0 0 346.274 2.669 10 5 EFBERN CC(C)n1cc(CNc2ccc([N+](=O)[O-])cc2Cl)c(=O)[nH]c1=O ZINC001643105685 1101270425 /nfs/dbraw/zinc/27/04/25/1101270425.db2.gz MPEJQJOXKJLULJ-UHFFFAOYSA-N 0 0 338.751 2.704 10 5 EFBERN Cc1ccnc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC001643116426 1101271563 /nfs/dbraw/zinc/27/15/63/1101271563.db2.gz CKANJICPKAPGKH-UHFFFAOYSA-N 0 0 349.350 2.685 10 5 EFBERN COc1ccc(CCNc2nc3sccn3c2[N+](=O)[O-])cc1O ZINC001643137743 1101274226 /nfs/dbraw/zinc/27/42/26/1101274226.db2.gz PEAAOEOURZCYDG-UHFFFAOYSA-N 0 0 334.357 2.673 10 5 EFBERN COc1ccc(OC)c([C@@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001643152261 1101275987 /nfs/dbraw/zinc/27/59/87/1101275987.db2.gz AVTKHRGMSJJVJM-HWPZZCPQSA-N 0 0 333.344 2.541 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]1CNc1c(Br)cccc1[N+](=O)[O-] ZINC001643168136 1101276724 /nfs/dbraw/zinc/27/67/24/1101276724.db2.gz SLGGPXHRRDVZFV-HTQZYQBOSA-N 0 0 329.150 2.578 10 5 EFBERN COC(=O)c1cc(C)nc(Sc2cccc(CO)c2)c1[N+](=O)[O-] ZINC001643182866 1101277567 /nfs/dbraw/zinc/27/75/67/1101277567.db2.gz MDOJOQHNQFNTEF-UHFFFAOYSA-N 0 0 334.353 2.728 10 5 EFBERN CS(=O)(=O)c1ccc(CNc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC001643187187 1101278300 /nfs/dbraw/zinc/27/83/00/1101278300.db2.gz MARWORDACXRHEV-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN COC(=O)c1cnc(NCc2c(F)cc(C)cc2F)c([N+](=O)[O-])c1 ZINC001643223071 1101281483 /nfs/dbraw/zinc/28/14/83/1101281483.db2.gz IGVSOSOTUDMKCH-UHFFFAOYSA-N 0 0 337.282 2.975 10 5 EFBERN Cc1ccnc(N2CC(c3nc(-c4ccccc4)no3)C2)c1[N+](=O)[O-] ZINC001643219415 1101281758 /nfs/dbraw/zinc/28/17/58/1101281758.db2.gz DWZBZFIFYJRDJD-UHFFFAOYSA-N 0 0 337.339 2.952 10 5 EFBERN C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cc(Cl)cc2c1OCC2 ZINC001643225853 1101282414 /nfs/dbraw/zinc/28/24/14/1101282414.db2.gz DHRDEIVCDYWAPQ-SSDOTTSWSA-N 0 0 335.751 2.728 10 5 EFBERN CC(=O)c1ccc(N2CCC[C@@H](Cc3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC001643247717 1101283619 /nfs/dbraw/zinc/28/36/19/1101283619.db2.gz MNCSSJGOYDCFKH-ZDUSSCGKSA-N 0 0 344.371 2.948 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](C2CC2)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC001643265746 1101286370 /nfs/dbraw/zinc/28/63/70/1101286370.db2.gz LYLLGMZPTPGLPZ-OCCSQVGLSA-N 0 0 349.387 2.784 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(CCO)cc3)cc2N1 ZINC001643287304 1101287435 /nfs/dbraw/zinc/28/74/35/1101287435.db2.gz WKALPSZQYBFBQD-UHFFFAOYSA-N 0 0 341.367 2.626 10 5 EFBERN CNc1c(C(=O)NCc2noc3cc(F)ccc23)cccc1[N+](=O)[O-] ZINC001643335762 1101290872 /nfs/dbraw/zinc/29/08/72/1101290872.db2.gz UGYCETZVSFJSDL-UHFFFAOYSA-N 0 0 344.302 2.847 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cc2cnccc2o1 ZINC001643339591 1101292154 /nfs/dbraw/zinc/29/21/54/1101292154.db2.gz QJIAFAMMAIHXGP-VIFPVBQESA-N 0 0 326.312 2.809 10 5 EFBERN CCc1csc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC001643382405 1101295105 /nfs/dbraw/zinc/29/51/05/1101295105.db2.gz QBMJEXXTHWZINH-MRVPVSSYSA-N 0 0 349.368 2.833 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC001643382506 1101295651 /nfs/dbraw/zinc/29/56/51/1101295651.db2.gz AACFORYGFPMLHI-UHFFFAOYSA-N 0 0 348.742 2.870 10 5 EFBERN CCON(Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001643443689 1101299425 /nfs/dbraw/zinc/29/94/25/1101299425.db2.gz XSWUTEAIFFTAED-UHFFFAOYSA-N 0 0 329.356 2.647 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCc3c(cccc3C(F)(F)F)C2)n1 ZINC001651310803 1101307602 /nfs/dbraw/zinc/30/76/02/1101307602.db2.gz WKERBPLRXAXSQK-UHFFFAOYSA-N 0 0 326.278 2.910 10 5 EFBERN COc1cc(N(C)Cc2ccc(C(N)=O)cc2)c(Cl)cc1[N+](=O)[O-] ZINC001651311824 1101308214 /nfs/dbraw/zinc/30/82/14/1101308214.db2.gz VWIREZBXRTUQFO-UHFFFAOYSA-N 0 0 349.774 2.992 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H](C)[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001651318136 1101308483 /nfs/dbraw/zinc/30/84/83/1101308483.db2.gz MWUWPAMBIXXUFA-LFFUZPJDSA-N 0 0 348.277 2.505 10 5 EFBERN COc1cncc(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC001651331469 1101310431 /nfs/dbraw/zinc/31/04/31/1101310431.db2.gz DQYHKBNDILSUFC-UHFFFAOYSA-N 0 0 328.372 2.633 10 5 EFBERN CCOC(=O)c1cnc(NCc2ccc(C)c([N+](=O)[O-])c2)nc1C ZINC001651342927 1101312084 /nfs/dbraw/zinc/31/20/84/1101312084.db2.gz PCAHXQBIBZAWFL-UHFFFAOYSA-N 0 0 330.344 2.790 10 5 EFBERN Cn1c2ccccc2sc1=NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001625791324 1101317303 /nfs/dbraw/zinc/31/73/03/1101317303.db2.gz NKUVAKDVNFWZJV-UHFFFAOYSA-N 0 0 346.343 2.610 10 5 EFBERN C[C@H](Nc1nc(N)nc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC001651408869 1101324082 /nfs/dbraw/zinc/32/40/82/1101324082.db2.gz GIHIGWNSQMNTRM-LURJTMIESA-N 0 0 328.254 2.554 10 5 EFBERN CCc1c[nH]c(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)n1 ZINC001651413722 1101324610 /nfs/dbraw/zinc/32/46/10/1101324610.db2.gz MZCJLKLKWXCBKB-UHFFFAOYSA-N 0 0 338.751 2.932 10 5 EFBERN CNC(=O)N[C@@H]1CCCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001651418356 1101325646 /nfs/dbraw/zinc/32/56/46/1101325646.db2.gz DLZBAZNPCZRHFP-SNVBAGLBSA-N 0 0 346.309 2.511 10 5 EFBERN CNC(=O)c1ccc(N2CCOc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC001651444112 1101330561 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CNS(=O)(=O)c1ccc(NC2(C)C(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC001651492787 1101339250 /nfs/dbraw/zinc/33/92/50/1101339250.db2.gz PREIGMSOERRILC-UHFFFAOYSA-N 0 0 341.433 2.740 10 5 EFBERN Cc1nn(C)c(N2CCN(c3cccc(Cl)c3C)CC2)c1[N+](=O)[O-] ZINC001651501272 1101340009 /nfs/dbraw/zinc/34/00/09/1101340009.db2.gz VPOXFSMBAVHLHI-UHFFFAOYSA-N 0 0 349.822 2.925 10 5 EFBERN C[C@H](Cc1cccnc1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001651509640 1101340755 /nfs/dbraw/zinc/34/07/55/1101340755.db2.gz MUXOOHLAEIZAGA-GFCCVEGCSA-N 0 0 338.367 2.885 10 5 EFBERN COC(=O)[C@@]1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCOC1 ZINC001651526519 1101343951 /nfs/dbraw/zinc/34/39/51/1101343951.db2.gz AEKFEFMOTPCQNR-CYBMUJFWSA-N 0 0 349.170 2.893 10 5 EFBERN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC2CC3(CCC3)C2)C1=O ZINC001651543023 1101346415 /nfs/dbraw/zinc/34/64/15/1101346415.db2.gz IFIKUGARSOBBMJ-QGZVFWFLSA-N 0 0 343.383 2.942 10 5 EFBERN NC(=O)c1ccnc(N[C@@H](c2ccc(F)cc2F)C2CC2)c1[N+](=O)[O-] ZINC001651577930 1101349103 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EFBERN CC[C@@H](C)C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)OC ZINC001651984737 1101414291 /nfs/dbraw/zinc/41/42/91/1101414291.db2.gz ZRMHJFCNXASQIQ-BDAKNGLRSA-N 0 0 326.378 2.694 10 5 EFBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2cccc(OC(F)(F)F)c2)n1 ZINC001652005017 1101416163 /nfs/dbraw/zinc/41/61/63/1101416163.db2.gz HIQLGNKFIKOVKP-UHFFFAOYSA-N 0 0 332.194 2.646 10 5 EFBERN O=c1cc([C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)[nH][nH]1 ZINC001652004056 1101416818 /nfs/dbraw/zinc/41/68/18/1101416818.db2.gz FEISGPHMJNTXFE-JTQLQIEISA-N 0 0 325.328 2.566 10 5 EFBERN COCOCCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001652002116 1101416971 /nfs/dbraw/zinc/41/69/71/1101416971.db2.gz QBLNZLXAYNOFIX-UHFFFAOYSA-N 0 0 325.752 2.641 10 5 EFBERN O=[N+]([O-])c1ccc2nc(NCCCOc3ncccn3)sc2c1 ZINC001651996130 1101417540 /nfs/dbraw/zinc/41/75/40/1101417540.db2.gz PGDKREKHBLWXHR-UHFFFAOYSA-N 0 0 331.357 2.876 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(C(F)F)on1 ZINC001652050338 1101426225 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1101469297 /nfs/dbraw/zinc/46/92/97/1101469297.db2.gz WOJKZIVVIDLHIH-UHFFFAOYSA-N 0 0 346.314 2.920 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](c2cnn(C)c2)C(C)C)c1[N+](=O)[O-] ZINC001652294651 1101470708 /nfs/dbraw/zinc/47/07/08/1101470708.db2.gz WGPPIEGPJJEWEH-CYBMUJFWSA-N 0 0 347.375 2.628 10 5 EFBERN Cn1cc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)nn1 ZINC001652320557 1101477396 /nfs/dbraw/zinc/47/73/96/1101477396.db2.gz QZGPLVWNWQJCMB-LBPRGKRZSA-N 0 0 338.371 2.656 10 5 EFBERN CC(C)(C)[S@](C)(=O)=NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001652347799 1101481723 /nfs/dbraw/zinc/48/17/23/1101481723.db2.gz MNFFHGJSBVUGEQ-QFIPXVFZSA-N 0 0 342.402 2.636 10 5 EFBERN O=[N+]([O-])c1ncccc1CSc1nnc2[nH]c3ccccc3n21 ZINC001652358610 1101482817 /nfs/dbraw/zinc/48/28/17/1101482817.db2.gz ZGYXAPIJFJFCTA-UHFFFAOYSA-N 0 0 326.341 2.806 10 5 EFBERN CC(C)(C)OC(=O)NCCCCCCCn1cnc([N+](=O)[O-])n1 ZINC001652609875 1101519469 /nfs/dbraw/zinc/51/94/69/1101519469.db2.gz LDZRFLXHYASYML-UHFFFAOYSA-N 0 0 327.385 2.662 10 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/nfs/dbraw/zinc/55/94/31/1101559431.db2.gz YPQATJVUGFWWDQ-UHFFFAOYSA-N 0 0 333.235 2.542 10 5 EFBERN CNc1c(C(=O)NCc2cnn(CC3CCC3)c2)cccc1[N+](=O)[O-] ZINC001652900710 1101564517 /nfs/dbraw/zinc/56/45/17/1101564517.db2.gz DHXQHQBPWDMBTB-UHFFFAOYSA-N 0 0 343.387 2.563 10 5 EFBERN COc1c(Cl)cccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001652925520 1101566694 /nfs/dbraw/zinc/56/66/94/1101566694.db2.gz CEMQDMMWYSRUBN-UHFFFAOYSA-N 0 0 335.747 2.769 10 5 EFBERN C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCC1=O ZINC001625818606 1101567642 /nfs/dbraw/zinc/56/76/42/1101567642.db2.gz SYIPAWNJXHTUJM-LBPRGKRZSA-N 0 0 339.351 2.708 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc2c(c1)CCO2 ZINC001652953739 1101569736 /nfs/dbraw/zinc/56/97/36/1101569736.db2.gz MDJJIGWYQBASKR-SNVBAGLBSA-N 0 0 327.340 2.603 10 5 EFBERN Cc1ccc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001266329873 1101572228 /nfs/dbraw/zinc/57/22/28/1101572228.db2.gz KWMUPXYLJMNKOQ-UHFFFAOYSA-N 0 0 345.374 2.904 10 5 EFBERN CCOC(=O)c1nc(-c2ccccc2)oc1Cn1ccnc1[N+](=O)[O-] ZINC001653022225 1101578484 /nfs/dbraw/zinc/57/84/84/1101578484.db2.gz SPPZIIZQJVOIBK-UHFFFAOYSA-N 0 0 342.311 2.671 10 5 EFBERN COC(=O)c1nn(C[C@H]2[C@H](c3ccccc3)C2(F)F)cc1[N+](=O)[O-] ZINC001653042886 1101579462 /nfs/dbraw/zinc/57/94/62/1101579462.db2.gz XTLYBYXQKOJQFC-JQWIXIFHSA-N 0 0 337.282 2.627 10 5 EFBERN Cc1ccc(C=O)c(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001653058548 1101581678 /nfs/dbraw/zinc/58/16/78/1101581678.db2.gz CPTLJMLSUHDHLN-UHFFFAOYSA-N 0 0 340.335 2.684 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(O)(C2CCC2)CC1 ZINC001653090403 1101585001 /nfs/dbraw/zinc/58/50/01/1101585001.db2.gz MUDJLIDVTRNPOR-UHFFFAOYSA-N 0 0 336.363 2.810 10 5 EFBERN CC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(C)C ZINC000828802177 1101586743 /nfs/dbraw/zinc/58/67/43/1101586743.db2.gz VAOIACJCNJWNRU-AWEZNQCLSA-N 0 0 338.316 2.890 10 5 EFBERN Cc1ccc(OCCn2nnc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001653115278 1101587550 /nfs/dbraw/zinc/58/75/50/1101587550.db2.gz OHSWYLNDARMHGX-UHFFFAOYSA-N 0 0 325.328 2.636 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCN2Cc1nnc(-c2cccc(O)c2)o1 ZINC001653157143 1101592740 /nfs/dbraw/zinc/59/27/40/1101592740.db2.gz GAROXJPJGUDOII-UHFFFAOYSA-N 0 0 338.323 2.913 10 5 EFBERN Cc1ccc(NC(=O)CCOc2ccc(C=O)cc2)c(N)c1[N+](=O)[O-] ZINC001653214488 1101597046 /nfs/dbraw/zinc/59/70/46/1101597046.db2.gz HZKBAXIFHLWHRH-UHFFFAOYSA-N 0 0 343.339 2.706 10 5 EFBERN Cc1ccc(NC(=O)c2cnc3n2[C@@H](C)CCC3)c(N)c1[N+](=O)[O-] ZINC001653217696 1101598644 /nfs/dbraw/zinc/59/86/44/1101598644.db2.gz KQABOZDSZSUNSS-JTQLQIEISA-N 0 0 329.360 2.832 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCc2cc(Cl)ccc21 ZINC001653347956 1101613714 /nfs/dbraw/zinc/61/37/14/1101613714.db2.gz USGBJYGJSSHRBB-UHFFFAOYSA-N 0 0 327.127 2.828 10 5 EFBERN O=C(Nc1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001266343547 1101619326 /nfs/dbraw/zinc/61/93/26/1101619326.db2.gz ORUAUKXNDRDKIB-JKSUJKDBSA-N 0 0 349.350 2.918 10 5 EFBERN CN(Cc1cnn(-c2ccccc2)n1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001653434869 1101622435 /nfs/dbraw/zinc/62/24/35/1101622435.db2.gz ZTVVIFQNPNFIOQ-UHFFFAOYSA-N 0 0 341.346 2.947 10 5 EFBERN CC(C)OC(=O)C(C)(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001653471686 1101625389 /nfs/dbraw/zinc/62/53/89/1101625389.db2.gz KPRVLAULNLENJM-UHFFFAOYSA-N 0 0 333.344 2.536 10 5 EFBERN CCCCC1(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001653490312 1101626392 /nfs/dbraw/zinc/62/63/92/1101626392.db2.gz FJSFRVKNYQJVHV-UHFFFAOYSA-N 0 0 334.376 2.555 10 5 EFBERN O=C(NCCC1CCC(F)(F)CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001653532258 1101628843 /nfs/dbraw/zinc/62/88/43/1101628843.db2.gz BZSGRPUVEVDOSN-UHFFFAOYSA-N 0 0 336.726 2.917 10 5 EFBERN O=C(NCC(F)(F)C1(O)CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001653583336 1101632910 /nfs/dbraw/zinc/63/29/10/1101632910.db2.gz MOTVTBJTVZKMCO-UHFFFAOYSA-N 0 0 346.305 2.794 10 5 EFBERN CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001653609388 1101635169 /nfs/dbraw/zinc/63/51/69/1101635169.db2.gz PNIPUTSFHVFDKP-HOCLYGCPSA-N 0 0 347.415 2.635 10 5 EFBERN Cc1cc(NC(=O)c2ccc(N3CCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC001653769850 1101649201 /nfs/dbraw/zinc/64/92/01/1101649201.db2.gz VTZZOZMFDJIYIB-UHFFFAOYSA-N 0 0 340.339 2.685 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCc2cc(O)ccc2C1 ZINC001653931067 1101662914 /nfs/dbraw/zinc/66/29/14/1101662914.db2.gz LTBKCXTYLXLQMK-UHFFFAOYSA-N 0 0 330.315 2.946 10 5 EFBERN O=C(NCc1cc2ccccc2[nH]c1=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001653955080 1101665185 /nfs/dbraw/zinc/66/51/85/1101665185.db2.gz NBTCJTXSEAOMME-UHFFFAOYSA-N 0 0 341.298 2.918 10 5 EFBERN Cn1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c(C(F)F)n1 ZINC001653995338 1101668325 /nfs/dbraw/zinc/66/83/25/1101668325.db2.gz TVWHAOVPEBOAJC-UHFFFAOYSA-N 0 0 335.270 3.000 10 5 EFBERN CN(CCNC(=O)c1ccc(F)s1)c1cccc(F)c1[N+](=O)[O-] ZINC001654208580 1101693451 /nfs/dbraw/zinc/69/34/51/1101693451.db2.gz SMVIFCZORVYMPA-UHFFFAOYSA-N 0 0 341.339 2.801 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001654393806 1101710498 /nfs/dbraw/zinc/71/04/98/1101710498.db2.gz OKIXIRXKBLOBNX-UHFFFAOYSA-N 0 0 347.758 2.664 10 5 EFBERN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC001654466251 1101719428 /nfs/dbraw/zinc/71/94/28/1101719428.db2.gz UAJCRKZVSJVHPH-VIFPVBQESA-N 0 0 349.778 2.529 10 5 EFBERN Cc1cncc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC001654574651 1101735661 /nfs/dbraw/zinc/73/56/61/1101735661.db2.gz HGORORKBXHFUAF-MRXNPFEDSA-N 0 0 340.383 2.734 10 5 EFBERN COC1(c2nccn2C)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001654685911 1101747520 /nfs/dbraw/zinc/74/75/20/1101747520.db2.gz SXWITQCXNLUZJZ-UHFFFAOYSA-N 0 0 336.417 2.528 10 5 EFBERN Cn1ccc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001654826385 1101761019 /nfs/dbraw/zinc/76/10/19/1101761019.db2.gz JPCFZYLTZXCOKG-LBPRGKRZSA-N 0 0 345.359 2.616 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2ncccn2)CC1 ZINC001654845700 1101763394 /nfs/dbraw/zinc/76/33/94/1101763394.db2.gz VWPCENLVHLSVCW-UHFFFAOYSA-N 0 0 328.372 2.773 10 5 EFBERN CN(Cc1nc2ccccc2c(=O)[nH]1)c1c(Cl)cncc1[N+](=O)[O-] ZINC001654877616 1101764406 /nfs/dbraw/zinc/76/44/06/1101764406.db2.gz RTVPDQKZZZZSPR-UHFFFAOYSA-N 0 0 345.746 2.928 10 5 EFBERN NC(=O)c1cc(NCCCCOc2ccccc2)ccc1[N+](=O)[O-] ZINC001654913169 1101769392 /nfs/dbraw/zinc/76/93/92/1101769392.db2.gz ACOLZCKBFYEPKG-UHFFFAOYSA-N 0 0 329.356 2.965 10 5 EFBERN Cn1cc(CN2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c([N+](=O)[O-])n1 ZINC001654919971 1101769926 /nfs/dbraw/zinc/76/99/26/1101769926.db2.gz ALUOZNDBKFWOLJ-BRWVUGGUSA-N 0 0 342.399 2.823 10 5 EFBERN O=c1cc[nH]c2cc(Oc3cc(F)c([N+](=O)[O-])cc3CO)ccc12 ZINC001654975252 1101772985 /nfs/dbraw/zinc/77/29/85/1101772985.db2.gz ZIVXOBXOVYMLDU-UHFFFAOYSA-N 0 0 330.271 2.860 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2cccc(OCc3ccccn3)c2)n1 ZINC001654980508 1101773197 /nfs/dbraw/zinc/77/31/97/1101773197.db2.gz ROKGKAZPUHFYQS-UHFFFAOYSA-N 0 0 339.355 2.914 10 5 EFBERN Cc1ccn2cc(CNc3cc(F)c([N+](=O)[O-])cc3CO)nc2c1 ZINC001655016611 1101776918 /nfs/dbraw/zinc/77/69/18/1101776918.db2.gz XDCBYCAKJYMOGU-UHFFFAOYSA-N 0 0 330.319 2.794 10 5 EFBERN CCc1ccc(Oc2ccc([N+](=O)[O-])c(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC001655122531 1101787995 /nfs/dbraw/zinc/78/79/95/1101787995.db2.gz GPOAADDMPHXJMU-UHFFFAOYSA-N 0 0 331.284 2.957 10 5 EFBERN O=[N+]([O-])c1cnc(Sc2nccn2Cc2ccccn2)c(F)c1 ZINC001655122912 1101788308 /nfs/dbraw/zinc/78/83/08/1101788308.db2.gz USOYJJYCJMVRFA-UHFFFAOYSA-N 0 0 331.332 2.920 10 5 EFBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1c1cnccn1 ZINC001655145567 1101790369 /nfs/dbraw/zinc/79/03/69/1101790369.db2.gz ZSDOZDPIURJHDI-LBPRGKRZSA-N 0 0 347.806 2.749 10 5 EFBERN COC(=O)Cc1ccc(N[C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC001655179285 1101791397 /nfs/dbraw/zinc/79/13/97/1101791397.db2.gz MAELVNKQTXNICN-WMLDXEAASA-N 0 0 336.388 2.926 10 5 EFBERN Cc1cc(F)cc(C)c1C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001626766111 1101792245 /nfs/dbraw/zinc/79/22/45/1101792245.db2.gz FYBQUAHNDFKKFX-UHFFFAOYSA-N 0 0 331.303 2.702 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@](C)(O)c2ccco2)cc1C ZINC001655195254 1101794566 /nfs/dbraw/zinc/79/45/66/1101794566.db2.gz DIRGJGFHNVUIFP-KRWDZBQOSA-N 0 0 348.355 2.993 10 5 EFBERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc([N+](=O)[O-])c1 ZINC001655257606 1101800971 /nfs/dbraw/zinc/80/09/71/1101800971.db2.gz GXYGBYJMQYIAEN-GJZGRUSLSA-N 0 0 333.388 2.788 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOc2c(F)cccc21 ZINC001125315585 1101801976 /nfs/dbraw/zinc/80/19/76/1101801976.db2.gz ACXVKMADVVJQCU-CQSZACIVSA-N 0 0 330.315 2.916 10 5 EFBERN CCN(CCNC(=O)c1coc(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC001266385701 1101804220 /nfs/dbraw/zinc/80/42/20/1101804220.db2.gz ITJHPLRUWAJYBH-UHFFFAOYSA-N 0 0 337.401 2.810 10 5 EFBERN Cc1nc(NCCc2ccc(Cl)cc2[N+](=O)[O-])ncc1[N+](=O)[O-] ZINC001655324269 1101809896 /nfs/dbraw/zinc/80/98/96/1101809896.db2.gz PDEXICISHUOBHW-UHFFFAOYSA-N 0 0 337.723 2.909 10 5 EFBERN O=[N+]([O-])c1cccc(CCNc2ccnc(-c3nccs3)n2)c1 ZINC001655341380 1101814049 /nfs/dbraw/zinc/81/40/49/1101814049.db2.gz QIQQKDQVHWSPCI-UHFFFAOYSA-N 0 0 327.369 2.585 10 5 EFBERN O=[N+]([O-])c1ccc(Oc2ncnc(F)c2Br)cc1CO ZINC001655371762 1101815015 /nfs/dbraw/zinc/81/50/15/1101815015.db2.gz OWRDYTGJNULJCC-UHFFFAOYSA-N 0 0 344.096 2.571 10 5 EFBERN CNC(=O)[C@H](Cc1ccccc1)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC001655369832 1101816156 /nfs/dbraw/zinc/81/61/56/1101816156.db2.gz KHUSNFARHCLFPQ-HNNXBMFYSA-N 0 0 331.347 2.812 10 5 EFBERN CNC(=O)CN(Cc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001655392405 1101818809 /nfs/dbraw/zinc/81/88/09/1101818809.db2.gz BDXCYLQUGZSZOD-UHFFFAOYSA-N 0 0 347.802 2.996 10 5 EFBERN O=[N+]([O-])c1cnc(Sc2n[nH]c(Cc3ccccc3)n2)c(F)c1 ZINC001655407891 1101820673 /nfs/dbraw/zinc/82/06/73/1101820673.db2.gz HQFCLIANMDRQPU-UHFFFAOYSA-N 0 0 331.332 2.989 10 5 EFBERN CC(C)(O)C(C)(C)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001655475520 1101832208 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330.388 2.805 10 5 EFBERN Cc1nc([C@H]2CCCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001655569510 1101849866 /nfs/dbraw/zinc/84/98/66/1101849866.db2.gz RLABJCARENMGLA-CVEARBPZSA-N 0 0 330.388 2.805 10 5 EFBERN COc1cc(CN2Cc3c[nH]nc3C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001655589465 1101852318 /nfs/dbraw/zinc/85/23/18/1101852318.db2.gz CUGSOVCHUIUQCO-JTQLQIEISA-N 0 0 334.351 2.660 10 5 EFBERN CN(C[C@H]1CCC[N@@H+]1C)c1c(Br)cccc1[N+](=O)[O-] ZINC001655591934 1101853868 /nfs/dbraw/zinc/85/38/68/1101853868.db2.gz ZGXUMYHJXIGVIR-SNVBAGLBSA-N 0 0 328.210 2.888 10 5 EFBERN Cc1ccnc([C@@H](C)Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])n1 ZINC001655585219 1101854118 /nfs/dbraw/zinc/85/41/18/1101854118.db2.gz JWJHPCYQKMXXJV-LLVKDONJSA-N 0 0 339.355 2.718 10 5 EFBERN COC(=O)c1cnc(NCc2cc(C)nc(Cl)c2)c([N+](=O)[O-])c1 ZINC001655601188 1101854785 /nfs/dbraw/zinc/85/47/85/1101854785.db2.gz NNPAVZCSMXJBDA-UHFFFAOYSA-N 0 0 336.735 2.745 10 5 EFBERN COC(=O)c1ccnc(NCc2cc(C)nc(Cl)c2)c1[N+](=O)[O-] ZINC001655601435 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C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000071922090 203151538 /nfs/dbraw/zinc/15/15/38/203151538.db2.gz VEDUOKUMIPGRQN-STQMWFEESA-N 0 0 343.387 2.643 10 5 EFBERN CN(C)C(=O)C1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000414480344 244188720 /nfs/dbraw/zinc/18/87/20/244188720.db2.gz CPALKVJDWYCURE-UHFFFAOYSA-N 0 0 329.356 2.565 10 5 EFBERN C[C@H](O)[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596940 244247761 /nfs/dbraw/zinc/24/77/61/244247761.db2.gz VRDGBGXNXMAZMZ-BLLLJJGKSA-N 0 0 348.424 2.905 10 5 EFBERN C[C@@H](O)[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000414575979 244241549 /nfs/dbraw/zinc/24/15/49/244241549.db2.gz FSVBSRFCYSBQGN-MLGOLLRUSA-N 0 0 348.424 2.905 10 5 EFBERN Cc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)cc1[N+](=O)[O-] ZINC000072465106 203228877 /nfs/dbraw/zinc/22/88/77/203228877.db2.gz MOCARVIKKWGUIX-UHFFFAOYSA-N 0 0 341.371 2.854 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc(N2CCCC2)nc1C ZINC000072465119 203229487 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CC[C@H]1C[C@@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000421964189 246188537 /nfs/dbraw/zinc/18/85/37/246188537.db2.gz IOAOEWGPSHPWJI-KBPBESRZSA-N 0 0 336.388 2.746 10 5 EFBERN Cc1cnc(CCN(C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000157554975 206142765 /nfs/dbraw/zinc/14/27/65/206142765.db2.gz SIHMREWLAAHJSQ-LBPRGKRZSA-N 0 0 348.428 2.861 10 5 EFBERN CSc1ccc(C(=O)N2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000422016055 246219646 /nfs/dbraw/zinc/21/96/46/246219646.db2.gz GIANYZXFTZYUCC-GFCCVEGCSA-N 0 0 336.413 2.836 10 5 EFBERN C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000422026766 246224944 /nfs/dbraw/zinc/22/49/44/246224944.db2.gz GOEZEGCTIAPCLK-TZMCWYRMSA-N 0 0 336.391 2.667 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](O)CC12CCC2 ZINC000422027331 246228531 /nfs/dbraw/zinc/22/85/31/246228531.db2.gz VDSRYXYTRKDLGL-CYBMUJFWSA-N 0 0 338.791 2.697 10 5 EFBERN COc1cc(NC2CCN(C(=O)C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000159781851 206263772 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O=C(COc1ccc(O)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000428714367 247525915 /nfs/dbraw/zinc/52/59/15/247525915.db2.gz SIKSEKHRDXEHQQ-UHFFFAOYSA-N 0 0 342.351 2.870 10 5 EFBERN CCN(CC)C(=O)CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000429794003 247688021 /nfs/dbraw/zinc/68/80/21/247688021.db2.gz HJCULINLFSVESS-UHFFFAOYSA-N 0 0 344.209 2.946 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000430019419 247720002 /nfs/dbraw/zinc/72/00/02/247720002.db2.gz NABQEHQIHGDFJZ-CMPLNLGQSA-N 0 0 330.793 2.633 10 5 EFBERN Cc1sc(C(=O)NC[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000265790441 247797846 /nfs/dbraw/zinc/79/78/46/247797846.db2.gz GOHURCFCUFROIG-CYBMUJFWSA-N 0 0 326.399 2.664 10 5 EFBERN COC(=O)CCN(Cc1ccncc1)c1ccc([N+](=O)[O-])cc1F ZINC000161351844 206342979 /nfs/dbraw/zinc/34/29/79/206342979.db2.gz BKKIBBJVFLCRFU-UHFFFAOYSA-N 0 0 333.319 2.699 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[nH]n1 ZINC000162058155 206381776 /nfs/dbraw/zinc/38/17/76/206381776.db2.gz GFZOMCITUNRSGD-JTQLQIEISA-N 0 0 331.376 2.996 10 5 EFBERN COc1cc(C(=O)N2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000162122651 206386885 /nfs/dbraw/zinc/38/68/85/206386885.db2.gz QTYLRWFVKCYWFI-AWEZNQCLSA-N 0 0 348.380 2.879 10 5 EFBERN CCC[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000161599373 206358719 /nfs/dbraw/zinc/35/87/19/206358719.db2.gz LGZVZMDMJOLHAV-GFCCVEGCSA-N 0 0 340.351 2.974 10 5 EFBERN Cc1sc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000162709508 206417667 /nfs/dbraw/zinc/41/76/67/206417667.db2.gz DLKSSJUUHPKMCK-CLAHSXSESA-N 0 0 338.360 2.956 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(c1noc(C)n1)C1CC1 ZINC000433308464 248042484 /nfs/dbraw/zinc/04/24/84/248042484.db2.gz YPZYWVSYWUSEGB-MRXNPFEDSA-N 0 0 332.360 2.710 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000433080674 248012276 /nfs/dbraw/zinc/01/22/76/248012276.db2.gz DGKCWMXECWBRDU-KOHJWAIASA-N 0 0 333.388 2.710 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3COC4(CCCCCC4)O3)nn21 ZINC000302065871 206489704 /nfs/dbraw/zinc/48/97/04/206489704.db2.gz UJYQLDZYLMLYQO-GFCCVEGCSA-N 0 0 347.375 2.515 10 5 EFBERN CC(C)(C)NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000266043035 248058060 /nfs/dbraw/zinc/05/80/60/248058060.db2.gz WQTYMDCADUXCDL-UHFFFAOYSA-N 0 0 331.166 2.651 10 5 EFBERN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(C2CCOCC2)n1 ZINC000434335281 248142700 /nfs/dbraw/zinc/14/27/00/248142700.db2.gz RPQDJQGHIBDHFY-UHFFFAOYSA-N 0 0 344.371 2.632 10 5 EFBERN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n(C2CCOCC2)n1 ZINC000434335875 248142916 /nfs/dbraw/zinc/14/29/16/248142916.db2.gz UPUZFNBHUCSCBV-UHFFFAOYSA-N 0 0 348.334 2.843 10 5 EFBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n(C2CCOCC2)n1 ZINC000434324934 248143039 /nfs/dbraw/zinc/14/30/39/248143039.db2.gz GUVMDFKBAUWIIT-UHFFFAOYSA-N 0 0 336.373 2.765 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)Oc2c(C)nn(C)c2C)cc1OC ZINC000266176753 248149872 /nfs/dbraw/zinc/14/98/72/248149872.db2.gz ZQDXXNWZXMLKAY-UHFFFAOYSA-N 0 0 349.343 2.572 10 5 EFBERN CN(C)C(=O)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266140042 248124383 /nfs/dbraw/zinc/12/43/83/248124383.db2.gz GVSXHGAAJVOIDR-UHFFFAOYSA-N 0 0 343.330 2.501 10 5 EFBERN Cn1c(C(=O)N2CCC(OCC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000434139322 248127617 /nfs/dbraw/zinc/12/76/17/248127617.db2.gz XCSDTURMDPHNSD-UHFFFAOYSA-N 0 0 335.404 2.745 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000266274134 248216862 /nfs/dbraw/zinc/21/68/62/248216862.db2.gz RROAGHZDDMCFBX-UHFFFAOYSA-N 0 0 332.360 2.896 10 5 EFBERN Cc1c(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cccc1[N+](=O)[O-] ZINC000435279984 248223320 /nfs/dbraw/zinc/22/33/20/248223320.db2.gz MBLWNOOFAZTLLU-CYBMUJFWSA-N 0 0 339.351 2.759 10 5 EFBERN Cc1ccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000435286020 248224055 /nfs/dbraw/zinc/22/40/55/248224055.db2.gz VKPNDPHFFPUHFT-AWEZNQCLSA-N 0 0 339.351 2.759 10 5 EFBERN Cc1c(NC(=O)N[C@H]2CCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324975 248225784 /nfs/dbraw/zinc/22/57/84/248225784.db2.gz YDXPXUNQGRQENX-VIFPVBQESA-N 0 0 344.165 2.576 10 5 EFBERN COc1cc(S(=O)(=O)NC2CCC3(CC3)CC2)ccc1[N+](=O)[O-] ZINC000434758016 248185856 /nfs/dbraw/zinc/18/58/56/248185856.db2.gz OXKBVSJKSRYQFF-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN COc1ccc(S(=O)(=O)NC2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000434775325 248187991 /nfs/dbraw/zinc/18/79/91/248187991.db2.gz NYYYWCZMHHHFHW-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN Cc1ccccc1Cc1nc(COc2cccnc2[N+](=O)[O-])no1 ZINC000434810852 248190770 /nfs/dbraw/zinc/19/07/70/248190770.db2.gz UXWFQYBFZFROKU-UHFFFAOYSA-N 0 0 326.312 2.851 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)CN1 ZINC000434949703 248199666 /nfs/dbraw/zinc/19/96/66/248199666.db2.gz FJQCRXDXVVWPSB-JTQLQIEISA-N 0 0 332.747 2.990 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3ncc(Cl)cc3[N+](=O)[O-])c2)CN1 ZINC000434951122 248199943 /nfs/dbraw/zinc/19/99/43/248199943.db2.gz OTOQZNWJYFQHTA-JTQLQIEISA-N 0 0 332.747 2.990 10 5 EFBERN C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000007703403 206524607 /nfs/dbraw/zinc/52/46/07/206524607.db2.gz GUEZZLHANFCQQL-QMMMGPOBSA-N 0 0 330.749 2.881 10 5 EFBERN CCN(c1cccnc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000435634079 249391397 /nfs/dbraw/zinc/39/13/97/249391397.db2.gz FEIATMCJRHSPQD-UHFFFAOYSA-N 0 0 335.385 2.822 10 5 EFBERN CC(C)Oc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000435641309 249392637 /nfs/dbraw/zinc/39/26/37/249392637.db2.gz ICFBMYUNRDQSQG-UHFFFAOYSA-N 0 0 327.340 2.980 10 5 EFBERN CCN(c1cccnc1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000435637473 249393906 /nfs/dbraw/zinc/39/39/06/249393906.db2.gz NMQPZWZZQHBFOC-UHFFFAOYSA-N 0 0 349.412 2.697 10 5 EFBERN COc1cccc(C(=O)N=c2cc(C)n([C@@H](C)C3CC3)[nH]2)c1[N+](=O)[O-] ZINC000436025115 249453675 /nfs/dbraw/zinc/45/36/75/249453675.db2.gz USNNAIGBKHHZCH-NSHDSACASA-N 0 0 344.371 2.754 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ncsc2C1 ZINC000438676486 249779132 /nfs/dbraw/zinc/77/91/32/249779132.db2.gz GLTQQWQIOOERMZ-UHFFFAOYSA-N 0 0 328.353 2.731 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000438871308 249792335 /nfs/dbraw/zinc/79/23/35/249792335.db2.gz YDUSHMRMUDFABN-JKSUJKDBSA-N 0 0 347.415 2.595 10 5 EFBERN Cc1cn(CC(=O)Nc2ccc(Br)cc2)nc1[N+](=O)[O-] ZINC000439185694 249801482 /nfs/dbraw/zinc/80/14/82/249801482.db2.gz FGPMDJJLZLGLLK-UHFFFAOYSA-N 0 0 339.149 2.501 10 5 EFBERN O=C(c1cccc2c1CC(=O)CC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000361888714 284707255 /nfs/dbraw/zinc/70/72/55/284707255.db2.gz LUJPZCKTWXIBOD-UHFFFAOYSA-N 0 0 336.347 2.856 10 5 EFBERN COc1cc(NCc2nncn2-c2ccccc2)c([N+](=O)[O-])cc1F ZINC000091429894 218004484 /nfs/dbraw/zinc/00/44/84/218004484.db2.gz BNQKDVSPYKQFMO-UHFFFAOYSA-N 0 0 343.318 2.935 10 5 EFBERN COc1ccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000441002687 249985656 /nfs/dbraw/zinc/98/56/56/249985656.db2.gz SNLJEIRTGQKZAJ-GFCCVEGCSA-N 0 0 342.351 2.534 10 5 EFBERN COc1cccc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000441195075 250006576 /nfs/dbraw/zinc/00/65/76/250006576.db2.gz GUPKMZVCBFASIW-UHFFFAOYSA-N 0 0 330.344 2.671 10 5 EFBERN COc1cc(OC)cc(OCCCN(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000441803537 250053999 /nfs/dbraw/zinc/05/39/99/250053999.db2.gz RBYSXJPVUQTCTM-UHFFFAOYSA-N 0 0 347.371 2.912 10 5 EFBERN CCc1ccccc1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000442809355 250124962 /nfs/dbraw/zinc/12/49/62/250124962.db2.gz JZEIIPBZOGFILM-UHFFFAOYSA-N 0 0 325.368 2.680 10 5 EFBERN CCn1c(SCCC2(O)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000442897227 250138698 /nfs/dbraw/zinc/13/86/98/250138698.db2.gz ISJROLYMYPZURH-UHFFFAOYSA-N 0 0 334.401 2.880 10 5 EFBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCO ZINC000443002560 250150055 /nfs/dbraw/zinc/15/00/55/250150055.db2.gz PFMOKFASUOOAGI-UHFFFAOYSA-N 0 0 326.418 2.941 10 5 EFBERN Cc1sc(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000443180723 250168656 /nfs/dbraw/zinc/16/86/56/250168656.db2.gz KNTVFZDBGBLASR-UHFFFAOYSA-N 0 0 332.341 2.809 10 5 EFBERN COc1cccc(C[C@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000443455418 250196192 /nfs/dbraw/zinc/19/61/92/250196192.db2.gz PLFLNDGMOAVCKJ-NSHDSACASA-N 0 0 329.356 2.745 10 5 EFBERN C[C@H](CCc1ccco1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443700926 250219549 /nfs/dbraw/zinc/21/95/49/250219549.db2.gz GHHWQEIZCIKMQK-GFCCVEGCSA-N 0 0 338.385 2.629 10 5 EFBERN CC(C)(NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000443690412 250220012 /nfs/dbraw/zinc/22/00/12/250220012.db2.gz OLXYQHNFRKJIFW-UHFFFAOYSA-N 0 0 334.397 2.950 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000443706684 250220488 /nfs/dbraw/zinc/22/04/88/250220488.db2.gz KMFDRDBXBKFHCI-MRXNPFEDSA-N 0 0 346.408 2.572 10 5 EFBERN Cn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2O)ccc1[N+](=O)[O-] ZINC000443565546 250208661 /nfs/dbraw/zinc/20/86/61/250208661.db2.gz HNMHYFWQVQBBOQ-UHFFFAOYSA-N 0 0 345.233 2.790 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000443961613 250241599 /nfs/dbraw/zinc/24/15/99/250241599.db2.gz RFQDCDZQDDTHEO-UHFFFAOYSA-N 0 0 344.158 2.830 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NCc2ncn(Cc3cccc(F)c3)n2)n1 ZINC000443981411 250243192 /nfs/dbraw/zinc/24/31/92/250243192.db2.gz CKXGCANXIZWDCO-UHFFFAOYSA-N 0 0 342.334 2.689 10 5 EFBERN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000443780392 250224029 /nfs/dbraw/zinc/22/40/29/250224029.db2.gz NCNYDQXXPLUQCF-LBPRGKRZSA-N 0 0 348.380 2.712 10 5 EFBERN CC(C)[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000444276187 250279393 /nfs/dbraw/zinc/27/93/93/250279393.db2.gz LSBQPUAEOQYRAY-CQSZACIVSA-N 0 0 326.418 2.793 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000444362819 250293375 /nfs/dbraw/zinc/29/33/75/250293375.db2.gz HNEBCAVLWCDETJ-HTQZYQBOSA-N 0 0 334.298 2.683 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000444362822 250294244 /nfs/dbraw/zinc/29/42/44/250294244.db2.gz HNEBCAVLWCDETJ-YUMQZZPRSA-N 0 0 334.298 2.683 10 5 EFBERN Cc1sccc1CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444633804 250319662 /nfs/dbraw/zinc/31/96/62/250319662.db2.gz DZYNWNAOOGBJGJ-UHFFFAOYSA-N 0 0 330.369 2.700 10 5 EFBERN CCc1oc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000444644321 250321359 /nfs/dbraw/zinc/32/13/59/250321359.db2.gz NCBCAKBVXSBLCP-UHFFFAOYSA-N 0 0 328.328 2.865 10 5 EFBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000372916011 296292647 /nfs/dbraw/zinc/29/26/47/296292647.db2.gz FTBGFOCGLUIJOW-LLVKDONJSA-N 0 0 332.356 2.771 10 5 EFBERN COc1cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444739598 250338891 /nfs/dbraw/zinc/33/88/91/250338891.db2.gz VCORMAJQIWBKQT-SMDDNHRTSA-N 0 0 348.321 2.739 10 5 EFBERN C/C=C\C[C@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445214057 250394713 /nfs/dbraw/zinc/39/47/13/250394713.db2.gz OQUSNFSNGMLNLK-XQJDBVBESA-N 0 0 336.391 2.738 10 5 EFBERN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[C@@H]1O ZINC000445206953 250395241 /nfs/dbraw/zinc/39/52/41/250395241.db2.gz AFRNREPDCMASMX-PXAZEXFGSA-N 0 0 336.391 2.524 10 5 EFBERN Cn1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccc1=O ZINC000445183001 250393027 /nfs/dbraw/zinc/39/30/27/250393027.db2.gz MPTWWEHZSXQILD-UHFFFAOYSA-N 0 0 345.358 2.632 10 5 EFBERN CN(CCn1cccn1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445188994 250393797 /nfs/dbraw/zinc/39/37/97/250393797.db2.gz SAAZAJAJJPDFIO-UHFFFAOYSA-N 0 0 346.390 2.650 10 5 EFBERN Cc1n[nH]cc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445193044 250393825 /nfs/dbraw/zinc/39/38/25/250393825.db2.gz ZJOWNUAOHIPSHB-UHFFFAOYSA-N 0 0 332.363 2.643 10 5 EFBERN CC1(C)CCC[C@@](O)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000446647893 250517739 /nfs/dbraw/zinc/51/77/39/250517739.db2.gz LZCMPRGQCSISEM-SFHVURJKSA-N 0 0 349.431 2.768 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(N3CCC3=O)c2)c1 ZINC000447807838 250613712 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VMYIKSYPEGWMAD-AWEZNQCLSA-N 0 0 341.367 2.583 10 5 EFBERN O=C(c1sccc1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000340474893 141804265 /nfs/dbraw/zinc/80/42/65/141804265.db2.gz PNNNJNGNVUMYKA-SECBINFHSA-N 0 0 336.348 2.517 10 5 EFBERN COc1c(C(=O)Nc2cnc(C)nc2C2CC2)cccc1[N+](=O)[O-] ZINC000341472829 141817502 /nfs/dbraw/zinc/81/75/02/141817502.db2.gz AJDSKDZRYVPSEY-UHFFFAOYSA-N 0 0 328.328 2.832 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(CC(F)(F)F)C1CC1 ZINC000341514178 141823672 /nfs/dbraw/zinc/82/36/72/141823672.db2.gz SHZGPVXHHXWHBO-UHFFFAOYSA-N 0 0 338.232 2.969 10 5 EFBERN COC[C@H](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341721729 141855908 /nfs/dbraw/zinc/85/59/08/141855908.db2.gz NEAMBECEEUTCOC-MRVPVSSYSA-N 0 0 331.166 2.968 10 5 EFBERN C[C@@H]1COCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341739498 141858267 /nfs/dbraw/zinc/85/82/67/141858267.db2.gz SOWLCHWHJZQZPH-PELKAZGASA-N 0 0 343.177 2.968 10 5 EFBERN C[C@H]1COCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341739501 141858407 /nfs/dbraw/zinc/85/84/07/141858407.db2.gz SOWLCHWHJZQZPH-QPUJVOFHSA-N 0 0 343.177 2.968 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCOC[C@H]1CC(F)F ZINC000343464315 142003392 /nfs/dbraw/zinc/00/33/92/142003392.db2.gz UHMMILDNDYSOEQ-SECBINFHSA-N 0 0 339.298 2.572 10 5 EFBERN O=C(CC1CCCC1)N1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344427160 142014633 /nfs/dbraw/zinc/01/46/33/142014633.db2.gz ZMMUSSBEIABJHL-UHFFFAOYSA-N 0 0 332.404 2.609 10 5 EFBERN CO[C@@H](CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000344445469 142018222 /nfs/dbraw/zinc/01/82/22/142018222.db2.gz DDNUVBAVEZLOMH-SKDRFNHKSA-N 0 0 349.309 2.922 10 5 EFBERN Cc1ccc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000344445953 142018302 /nfs/dbraw/zinc/01/83/02/142018302.db2.gz YUSOBNPZPLEAIV-UHFFFAOYSA-N 0 0 346.412 2.759 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000344461926 142021196 /nfs/dbraw/zinc/02/11/96/142021196.db2.gz QRYURXWTFAJAKX-ZDUSSCGKSA-N 0 0 331.372 2.656 10 5 EFBERN COc1c(C(=O)N2CC(OC)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000344471848 142023446 /nfs/dbraw/zinc/02/34/46/142023446.db2.gz AJWOUUIXJOHVHQ-UHFFFAOYSA-N 0 0 342.351 2.601 10 5 EFBERN CC(C)[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000344541984 142037229 /nfs/dbraw/zinc/03/72/29/142037229.db2.gz MUQYQDUUCCMANF-LBPRGKRZSA-N 0 0 348.325 2.893 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@](C)(CO)c1ccc(O)cc1 ZINC000344552990 142039416 /nfs/dbraw/zinc/03/94/16/142039416.db2.gz NBSRILLRNWSDDW-KRWDZBQOSA-N 0 0 345.355 2.638 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000344593963 142045606 /nfs/dbraw/zinc/04/56/06/142045606.db2.gz XXGFKZPSPYNBBK-ZIAGYGMSSA-N 0 0 345.399 2.528 10 5 EFBERN Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1C(F)(F)F ZINC000344595982 142046189 /nfs/dbraw/zinc/04/61/89/142046189.db2.gz UZJAXLZAFCUJEK-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN COc1ccccc1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000344606302 142047755 /nfs/dbraw/zinc/04/77/55/142047755.db2.gz CICOLBWDSIOFSO-UHFFFAOYSA-N 0 0 325.317 2.716 10 5 EFBERN Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Br ZINC000344618254 142049687 /nfs/dbraw/zinc/04/96/87/142049687.db2.gz MYIYABUDCOYGIF-UHFFFAOYSA-N 0 0 339.149 2.652 10 5 EFBERN COc1ccccc1S(=O)(=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000344625071 142050892 /nfs/dbraw/zinc/05/08/92/142050892.db2.gz WDFIKFMPIZZQLL-UHFFFAOYSA-N 0 0 325.317 2.716 10 5 EFBERN COC(C)(C)CCSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000344792508 142079183 /nfs/dbraw/zinc/07/91/83/142079183.db2.gz NATFPGILHAZPSX-UHFFFAOYSA-N 0 0 333.431 2.906 10 5 EFBERN CO[C@H](C)CN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC000344830908 142085056 /nfs/dbraw/zinc/08/50/56/142085056.db2.gz SQDQZQGHLHMPML-CQSZACIVSA-N 0 0 338.404 2.944 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@H](C(=O)OC)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000344866537 142089452 /nfs/dbraw/zinc/08/94/52/142089452.db2.gz CFEGXDWFPRGDEU-CQDKDKBSSA-N 0 0 349.387 2.639 10 5 EFBERN CCn1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc21 ZINC000344869535 142089833 /nfs/dbraw/zinc/08/98/33/142089833.db2.gz HLJTWSBQTNLHPV-UHFFFAOYSA-N 0 0 338.323 2.577 10 5 EFBERN CN(C1CCC(F)(F)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344935112 142100067 /nfs/dbraw/zinc/10/00/67/142100067.db2.gz VPKDQPIFLWJQIW-UHFFFAOYSA-N 0 0 348.371 2.934 10 5 EFBERN CCCc1n[nH]c(C(=O)NCc2ccc(SC)cc2)c1[N+](=O)[O-] ZINC000345908720 142116329 /nfs/dbraw/zinc/11/63/29/142116329.db2.gz RTLSHLYBYNPZDV-UHFFFAOYSA-N 0 0 334.401 2.922 10 5 EFBERN Cc1cc(COCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)on1 ZINC000345980391 142127543 /nfs/dbraw/zinc/12/75/43/142127543.db2.gz FHANWSNEAHBWNZ-UHFFFAOYSA-N 0 0 330.300 2.966 10 5 EFBERN O=[N+]([O-])c1ccccc1NCCc1nc(Cc2ccccn2)no1 ZINC000346040680 142138018 /nfs/dbraw/zinc/13/80/18/142138018.db2.gz AZWJVWUCIHWUPT-UHFFFAOYSA-N 0 0 325.328 2.618 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346235493 142173216 /nfs/dbraw/zinc/17/32/16/142173216.db2.gz LGVBOOBVCWACED-LLVKDONJSA-N 0 0 332.335 2.984 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346235503 142173229 /nfs/dbraw/zinc/17/32/29/142173229.db2.gz LGVBOOBVCWACED-NSHDSACASA-N 0 0 332.335 2.984 10 5 EFBERN C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000346251635 142176639 /nfs/dbraw/zinc/17/66/39/142176639.db2.gz KMSVJXLSKMMJKH-LBPRGKRZSA-N 0 0 335.404 2.541 10 5 EFBERN CCOC(=O)[C@@H](CC)N(Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346419133 142201617 /nfs/dbraw/zinc/20/16/17/142201617.db2.gz PPBXSZWVBCOESO-CQSZACIVSA-N 0 0 336.388 2.910 10 5 EFBERN C[C@H]1COCC[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000346416227 142201929 /nfs/dbraw/zinc/20/19/29/142201929.db2.gz JDOLMPKXYBZTSH-NWDGAFQWSA-N 0 0 332.360 2.772 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(NCCOc3ccc(F)cc3F)c21 ZINC000347464985 142221875 /nfs/dbraw/zinc/22/18/75/142221875.db2.gz PMQCLJHRSMOQQZ-UHFFFAOYSA-N 0 0 346.293 2.729 10 5 EFBERN 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Cc1ccccc1C[NH+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000349586865 142339093 /nfs/dbraw/zinc/33/90/93/142339093.db2.gz YGUWWQGLWXYLBO-UHFFFAOYSA-N 0 0 341.411 2.927 10 5 EFBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000349697479 142348687 /nfs/dbraw/zinc/34/86/87/142348687.db2.gz WTCNZPPCNMNXFS-CABCVRRESA-N 0 0 343.387 2.538 10 5 EFBERN COc1ccc(CSCc2nc(-c3ncc[nH]3)no2)cc1[N+](=O)[O-] ZINC000349764883 142356784 /nfs/dbraw/zinc/35/67/84/142356784.db2.gz OPMUHWRBBAGJFL-UHFFFAOYSA-N 0 0 347.356 2.810 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](CO)c1ccsc1 ZINC000349815157 142363264 /nfs/dbraw/zinc/36/32/64/142363264.db2.gz ZEMDLHAUWIAXAY-LBPRGKRZSA-N 0 0 325.321 2.651 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000349859149 142368740 /nfs/dbraw/zinc/36/87/40/142368740.db2.gz UZHVCUCFRVURGS-QGZVFWFLSA-N 0 0 347.415 2.814 10 5 EFBERN CCn1c(NC(=O)c2c(C)cccc2[N+](=O)[O-])nc2cccnc21 ZINC000349993797 142388484 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CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(C)noc1C ZINC000354521640 146731472 /nfs/dbraw/zinc/73/14/72/146731472.db2.gz PRDNDBPEFXOTKE-NSHDSACASA-N 0 0 343.343 2.630 10 5 EFBERN CO[C@@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000451112117 285744951 /nfs/dbraw/zinc/74/49/51/285744951.db2.gz VDYGJASRUTVBJC-VHSXEESVSA-N 0 0 332.278 2.911 10 5 EFBERN COc1nn(C)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354758351 146781458 /nfs/dbraw/zinc/78/14/58/146781458.db2.gz LOTJRJQDXYCBND-SNVBAGLBSA-N 0 0 333.348 2.528 10 5 EFBERN COC(=O)c1ccc(-c2nc(Cn3cc(C)c([N+](=O)[O-])n3)co2)cc1 ZINC000337934811 143843756 /nfs/dbraw/zinc/84/37/56/143843756.db2.gz GRBRWZGYFNPBGH-UHFFFAOYSA-N 0 0 342.311 2.590 10 5 EFBERN Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)sc2nccn12 ZINC000337948464 143846703 /nfs/dbraw/zinc/84/67/03/143846703.db2.gz PUAJOPPWBPPZQI-UHFFFAOYSA-N 0 0 328.353 2.815 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000338024753 143866639 /nfs/dbraw/zinc/86/66/39/143866639.db2.gz WESUDPVXQXOOOG-UHFFFAOYSA-N 0 0 334.353 2.559 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CCO)c1ccccc1 ZINC000354874598 146807290 /nfs/dbraw/zinc/80/72/90/146807290.db2.gz CVQTYBXXHLNHCJ-AWEZNQCLSA-N 0 0 345.355 2.849 10 5 EFBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nnc2ccccn21 ZINC000338379326 144660022 /nfs/dbraw/zinc/66/00/22/144660022.db2.gz VCLBTYVWOGCYQL-ZDUSSCGKSA-N 0 0 345.384 2.826 10 5 EFBERN CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000339192785 144709315 /nfs/dbraw/zinc/70/93/15/144709315.db2.gz XOTPTARQZFIOBM-UHFFFAOYSA-N 0 0 334.307 2.507 10 5 EFBERN CN(CCCO)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000339441497 144770959 /nfs/dbraw/zinc/77/09/59/144770959.db2.gz YNRQTRDFVVNHCH-UHFFFAOYSA-N 0 0 329.356 2.793 10 5 EFBERN CCOc1ccc(C(=O)N(C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000339576338 144797382 /nfs/dbraw/zinc/79/73/82/144797382.db2.gz NQAZRUVFEVRBDR-UHFFFAOYSA-N 0 0 344.323 2.999 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2COCC[C@@H]21 ZINC000339765100 144842545 /nfs/dbraw/zinc/84/25/45/144842545.db2.gz VPJCEYBRWIZEMQ-OLZOCXBDSA-N 0 0 336.413 2.714 10 5 EFBERN CS(=O)(=O)c1cccc(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000340584806 144894553 /nfs/dbraw/zinc/89/45/53/144894553.db2.gz XZTJHRARTFZHMR-UHFFFAOYSA-N 0 0 345.332 2.976 10 5 EFBERN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(OC2CCCCC2)cc1 ZINC000340801277 144934511 /nfs/dbraw/zinc/93/45/11/144934511.db2.gz AZHLRPHISCSLAG-UHFFFAOYSA-N 0 0 345.359 2.537 10 5 EFBERN CCOc1ccc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000341132577 144997976 /nfs/dbraw/zinc/99/79/76/144997976.db2.gz XPCMZPIMIMIAQL-SJLPKXTDSA-N 0 0 346.383 2.777 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1Cc2ccccc2O1 ZINC000341175657 145006460 /nfs/dbraw/zinc/00/64/60/145006460.db2.gz KKCANDVYGMYUOX-GFCCVEGCSA-N 0 0 348.305 2.535 10 5 EFBERN COCc1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)s1 ZINC000341191870 145009628 /nfs/dbraw/zinc/00/96/28/145009628.db2.gz QLHUKRUYWKGXKL-SECBINFHSA-N 0 0 333.369 2.789 10 5 EFBERN C[C@H](NC(=O)c1cccc2c1oc(=O)n2C)c1ccccc1[N+](=O)[O-] ZINC000341286156 145026601 /nfs/dbraw/zinc/02/66/01/145026601.db2.gz MLRRPHMJDCELTG-JTQLQIEISA-N 0 0 341.323 2.531 10 5 EFBERN COc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)CCO2 ZINC000341360243 145039562 /nfs/dbraw/zinc/03/95/62/145039562.db2.gz NCVFIDHVOJGVGH-OAHLLOKOSA-N 0 0 343.339 2.560 10 5 EFBERN Cc1cnc(N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000341370500 145041470 /nfs/dbraw/zinc/04/14/70/145041470.db2.gz HBBBRCOMDJABSG-DZGCQCFKSA-N 0 0 340.383 2.900 10 5 EFBERN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC(=O)N1Cc1ccccc1 ZINC000341413594 145048243 /nfs/dbraw/zinc/04/82/43/145048243.db2.gz UWTBRDQEGALMRA-IUODEOHRSA-N 0 0 326.356 2.591 10 5 EFBERN CCCCNC(=O)Cc1noc(/C=C(/C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000342193948 145078733 /nfs/dbraw/zinc/07/87/33/145078733.db2.gz BBADUVQCCYEMQX-BENRWUELSA-N 0 0 344.371 2.997 10 5 EFBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCc1cccc(F)c1F ZINC000342259962 145089566 /nfs/dbraw/zinc/08/95/66/145089566.db2.gz FZHYSVWZFDGJQM-UHFFFAOYSA-N 0 0 332.262 2.712 10 5 EFBERN C[C@@H]1[C@H](C)SCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342273201 145091304 /nfs/dbraw/zinc/09/13/04/145091304.db2.gz SYKMYFPWSPFVIS-BDAKNGLRSA-N 0 0 330.356 2.768 10 5 EFBERN Cc1sc(C(=O)NCc2cn3ccc(C)cc3n2)cc1[N+](=O)[O-] ZINC000342271047 145091537 /nfs/dbraw/zinc/09/15/37/145091537.db2.gz JDOLKJYAYCBCBS-UHFFFAOYSA-N 0 0 330.369 2.851 10 5 EFBERN Cn1cc(C(C)(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000342311943 145098497 /nfs/dbraw/zinc/09/84/97/145098497.db2.gz KJQKDWUBVBAGAN-UHFFFAOYSA-N 0 0 344.415 2.745 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342367002 145110086 /nfs/dbraw/zinc/11/00/86/145110086.db2.gz XYHZIVBIBXAWED-MRVPVSSYSA-N 0 0 346.416 2.993 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)C(C)(C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000342417782 145121035 /nfs/dbraw/zinc/12/10/35/145121035.db2.gz KZALFDBARVRRMK-LBPRGKRZSA-N 0 0 330.388 2.792 10 5 EFBERN CN(C)c1ncccc1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342420551 145121455 /nfs/dbraw/zinc/12/14/55/145121455.db2.gz NODUZZKYIDXWEF-UHFFFAOYSA-N 0 0 346.412 2.811 10 5 EFBERN COc1cc(Cn2cnc3cc(F)c(C)cc3c2=O)ccc1[N+](=O)[O-] ZINC000342430930 145124398 /nfs/dbraw/zinc/12/43/98/145124398.db2.gz DVSLLBFODWRRDG-UHFFFAOYSA-N 0 0 343.314 2.809 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2c(C(N)=O)cccc21 ZINC000342432158 145125080 /nfs/dbraw/zinc/12/50/80/145125080.db2.gz RSOROQCWTBSFDP-UHFFFAOYSA-N 0 0 339.351 2.595 10 5 EFBERN Cc1noc2ncc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc12 ZINC000342462913 145131527 /nfs/dbraw/zinc/13/15/27/145131527.db2.gz YAQIRGHQCNQBEL-UHFFFAOYSA-N 0 0 348.265 2.899 10 5 EFBERN Cc1nc(NC(=O)c2ncsc2Br)ccc1[N+](=O)[O-] ZINC000342479236 145135108 /nfs/dbraw/zinc/13/51/08/145135108.db2.gz LUVGMXAFAFTYAM-UHFFFAOYSA-N 0 0 343.162 2.770 10 5 EFBERN CC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000342517022 145141946 /nfs/dbraw/zinc/14/19/46/145141946.db2.gz MOFQKBSHWDXSLY-OAHLLOKOSA-N 0 0 342.342 2.737 10 5 EFBERN CCOc1cccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000342522460 145142337 /nfs/dbraw/zinc/14/23/37/145142337.db2.gz JGBWHPJWDOKUBD-UHFFFAOYSA-N 0 0 325.328 2.695 10 5 EFBERN COC1CCC(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000342524536 145142642 /nfs/dbraw/zinc/14/26/42/145142642.db2.gz LEZQTNOBVMLJJN-UHFFFAOYSA-N 0 0 342.342 2.737 10 5 EFBERN CC(C)CO[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000342524414 145142722 /nfs/dbraw/zinc/14/27/22/145142722.db2.gz LANNWWHTGASBKC-GFCCVEGCSA-N 0 0 342.342 2.689 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2ccc(F)cc2C1 ZINC000342547349 145146448 /nfs/dbraw/zinc/14/64/48/145146448.db2.gz OCSLBMPZVUDJRE-ZDUSSCGKSA-N 0 0 331.303 2.859 10 5 EFBERN CO[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000342574155 145152020 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328.372 2.674 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000342834343 145204731 /nfs/dbraw/zinc/20/47/31/145204731.db2.gz QEDMURYNOHNUJD-KOHJWAIASA-N 0 0 331.372 2.537 10 5 EFBERN O=c1[nH]c(NCc2cccc3cc[nH]c32)nc2ccc([N+](=O)[O-])cc21 ZINC000342942940 145226220 /nfs/dbraw/zinc/22/62/20/145226220.db2.gz DLXBHTOMEOGUTP-UHFFFAOYSA-N 0 0 335.323 2.759 10 5 EFBERN CO[C@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)C(F)(F)F ZINC000342967263 145231687 /nfs/dbraw/zinc/23/16/87/145231687.db2.gz VCIOYLTUEOVWAA-SSDOTTSWSA-N 0 0 336.295 2.979 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1Cc2ccccc2C1 ZINC000343721602 145279156 /nfs/dbraw/zinc/27/91/56/145279156.db2.gz CHPQNYJTVYGOKR-UHFFFAOYSA-N 0 0 332.306 2.699 10 5 EFBERN COC[C@@H]1CCCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000343775777 145291652 /nfs/dbraw/zinc/29/16/52/145291652.db2.gz WLEXZXUFCORXBG-LLVKDONJSA-N 0 0 342.342 2.691 10 5 EFBERN C[C@@H](CC(F)(F)F)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343778509 145292302 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GBBZUBLSUDMVGO-OAHLLOKOSA-N 0 0 330.340 2.964 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@@H](C4CC4)C3)co2)cc1 ZINC000363777027 149010731 /nfs/dbraw/zinc/01/07/31/149010731.db2.gz VGIDNGQILFHUJL-MRXNPFEDSA-N 0 0 329.356 2.861 10 5 EFBERN C[C@H]1N(C(=O)CCNc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363805045 149014079 /nfs/dbraw/zinc/01/40/79/149014079.db2.gz XBYJIEZMVJTPCH-CQSZACIVSA-N 0 0 347.415 2.814 10 5 EFBERN Cc1cc(NC(=O)NC2(CO)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000363828078 149017154 /nfs/dbraw/zinc/01/71/54/149017154.db2.gz UNNMNMCZNJDEQB-UHFFFAOYSA-N 0 0 341.367 2.555 10 5 EFBERN CN(C(=O)[C@H]1CC(=O)N(C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000363885928 149027251 /nfs/dbraw/zinc/02/72/51/149027251.db2.gz BOIPQAGXPSEKPU-HNNXBMFYSA-N 0 0 339.351 2.708 10 5 EFBERN Cc1n[nH]cc1-c1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000363993237 149043811 /nfs/dbraw/zinc/04/38/11/149043811.db2.gz CBPVHCIJTMURJF-UHFFFAOYSA-N 0 0 344.356 2.706 10 5 EFBERN COCC[C@@H]1CCCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138476 149076571 /nfs/dbraw/zinc/07/65/71/149076571.db2.gz JNNJSCBGYWWWBM-AWEZNQCLSA-N 0 0 336.388 2.639 10 5 EFBERN Cc1cncn1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364364434 149137049 /nfs/dbraw/zinc/13/70/49/149137049.db2.gz UBUYIYBHASQBCR-UHFFFAOYSA-N 0 0 328.372 2.506 10 5 EFBERN COc1cc(CC2CN(c3cc(C)c([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000364428452 149148185 /nfs/dbraw/zinc/14/81/85/149148185.db2.gz NUJMZXINBJOTEF-UHFFFAOYSA-N 0 0 343.383 2.994 10 5 EFBERN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3OCCc4ccccc43)n2)nc1 ZINC000364474776 149162574 /nfs/dbraw/zinc/16/25/74/149162574.db2.gz DOOCEYHNLDZRMC-MRXNPFEDSA-N 0 0 338.323 2.626 10 5 EFBERN C[C@H]1CCOCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000364630195 149203308 /nfs/dbraw/zinc/20/33/08/149203308.db2.gz DTMDSWOAVISOHS-JTQLQIEISA-N 0 0 344.820 2.978 10 5 EFBERN COc1cc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000364965531 149286920 /nfs/dbraw/zinc/28/69/20/149286920.db2.gz UPZKFFCNAOBOKV-LBPRGKRZSA-N 0 0 334.372 2.635 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2cc[nH]c(=O)c2C1 ZINC000365173492 149335854 /nfs/dbraw/zinc/33/58/54/149335854.db2.gz VBPGHNGPKYMEEV-UHFFFAOYSA-N 0 0 348.746 2.939 10 5 EFBERN C[C@@H]1CC2(CCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000365319033 149368669 /nfs/dbraw/zinc/36/86/69/149368669.db2.gz JFKYXWQQCNWHMN-CYBMUJFWSA-N 0 0 338.429 2.732 10 5 EFBERN C[C@@H]1CC2(CCC2)CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000365321213 149369276 /nfs/dbraw/zinc/36/92/76/149369276.db2.gz PMOYBUULYFZYLH-GFCCVEGCSA-N 0 0 341.371 2.580 10 5 EFBERN CN(c1ccc(F)cc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000366007091 149531709 /nfs/dbraw/zinc/53/17/09/149531709.db2.gz HMSWLCSCYGKKEU-UHFFFAOYSA-N 0 0 331.351 2.629 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000366527134 149651040 /nfs/dbraw/zinc/65/10/40/149651040.db2.gz JALLRZWPIBREAU-RHSMWYFYSA-N 0 0 341.367 2.827 10 5 EFBERN C[C@H]1CCOCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 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0 0 338.327 2.624 10 5 EFBERN O=C(c1ccccc1)c1ccc(N2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000368799859 150207970 /nfs/dbraw/zinc/20/79/70/150207970.db2.gz JYQBYXCGWHTHDN-KRWDZBQOSA-N 0 0 338.363 2.787 10 5 EFBERN Cn1cc(CN2CCO[C@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368879322 150228379 /nfs/dbraw/zinc/22/83/79/150228379.db2.gz HIDAZJZNUIXBCY-KRWDZBQOSA-N 0 0 342.399 2.606 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC12CCOCC2 ZINC000368951128 150244397 /nfs/dbraw/zinc/24/43/97/150244397.db2.gz PCRXOFYAMDPZGG-LBPRGKRZSA-N 0 0 336.413 2.857 10 5 EFBERN COc1ccc(CN[C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000369087804 150272639 /nfs/dbraw/zinc/27/26/39/150272639.db2.gz MYCUPIWQEJDLBZ-LBPRGKRZSA-N 0 0 345.403 2.772 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCC[C@H]3COC[C@H]32)ccc1Br ZINC000369216779 150302688 /nfs/dbraw/zinc/30/26/88/150302688.db2.gz XOLFDCZTJMOTFJ-SMDDNHRTSA-N 0 0 341.205 2.968 10 5 EFBERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000369407731 150347419 /nfs/dbraw/zinc/34/74/19/150347419.db2.gz IETXJPAVEUHECU-AWEZNQCLSA-N 0 0 328.372 2.660 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369527363 150377320 /nfs/dbraw/zinc/37/73/20/150377320.db2.gz KXWFUBVOWAERSI-KRWDZBQOSA-N 0 0 334.322 2.967 10 5 EFBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000370287483 150560174 /nfs/dbraw/zinc/56/01/74/150560174.db2.gz GVMLFOLNMOIMET-GOSISDBHSA-N 0 0 327.384 2.708 10 5 EFBERN Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000370520782 150612806 /nfs/dbraw/zinc/61/28/06/150612806.db2.gz ALNIKCCYMIDOAV-CYBMUJFWSA-N 0 0 332.385 2.904 10 5 EFBERN O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])cn1 ZINC000370539998 150616781 /nfs/dbraw/zinc/61/67/81/150616781.db2.gz WQMJHNBOVNWPQX-QGZVFWFLSA-N 0 0 334.335 2.904 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC(c2cccs2)c2cccs2)n1 ZINC000371368275 150791838 /nfs/dbraw/zinc/79/18/38/150791838.db2.gz GCMUPKYQGNVCIN-UHFFFAOYSA-N 0 0 348.409 2.971 10 5 EFBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]2c2ncon2)c1 ZINC000371371506 150791958 /nfs/dbraw/zinc/79/19/58/150791958.db2.gz CBYFRWJGUYEIMZ-NSHDSACASA-N 0 0 340.286 2.916 10 5 EFBERN COc1cc(CN2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1OC ZINC000131881993 286219056 /nfs/dbraw/zinc/21/90/56/286219056.db2.gz TWHMOJJBWOYZMQ-AWEZNQCLSA-N 0 0 346.387 2.683 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](COC(C)C)C1 ZINC000372177510 150957635 /nfs/dbraw/zinc/95/76/35/150957635.db2.gz CFLZLMGQTGVUGQ-SHRNQRGKSA-N 0 0 348.399 2.651 10 5 EFBERN Cc1c(CC(=O)N2CCC(c3c[nH]cn3)CC2)cccc1[N+](=O)[O-] ZINC000372469397 151012285 /nfs/dbraw/zinc/01/22/85/151012285.db2.gz WQMRXMMEKKJGSP-UHFFFAOYSA-N 0 0 328.372 2.575 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H](c3ccco3)C2)c1 ZINC000372585481 151033930 /nfs/dbraw/zinc/03/39/30/151033930.db2.gz RAYSBFVLXQWTAZ-ZDUSSCGKSA-N 0 0 336.369 2.507 10 5 EFBERN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000372797762 151063893 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10 5 EFBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000374106546 151285066 /nfs/dbraw/zinc/28/50/66/151285066.db2.gz IUTQDNKCYWEUNX-BETUJISGSA-N 0 0 345.380 2.722 10 5 EFBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1=O ZINC000374168021 151294509 /nfs/dbraw/zinc/29/45/09/151294509.db2.gz QALBOYAGAKFIRI-UBHAPETDSA-N 0 0 341.314 2.617 10 5 EFBERN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000374407480 151341858 /nfs/dbraw/zinc/34/18/58/151341858.db2.gz BBRXXNSTZJWWGI-QGZVFWFLSA-N 0 0 345.330 2.715 10 5 EFBERN COc1cc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccc1[N+](=O)[O-] ZINC000374640594 151386396 /nfs/dbraw/zinc/38/63/96/151386396.db2.gz XNVBEZPVXOBCQY-BLLLJJGKSA-N 0 0 336.388 2.583 10 5 EFBERN COc1cc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)ccc1[N+](=O)[O-] ZINC000374640599 151386594 /nfs/dbraw/zinc/38/65/94/151386594.db2.gz XNVBEZPVXOBCQY-WBMJQRKESA-N 0 0 336.388 2.583 10 5 EFBERN Cc1cn2c(n1)CN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC2 ZINC000374647651 151388179 /nfs/dbraw/zinc/38/81/79/151388179.db2.gz OLWSWNMVVWKVLM-UHFFFAOYSA-N 0 0 330.388 2.903 10 5 EFBERN CCOc1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000374649430 151389189 /nfs/dbraw/zinc/38/91/89/151389189.db2.gz SWIWMBBDOMTBHF-WBVHZDCISA-N 0 0 334.372 2.681 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](Cc3ccncc3)C2)c2nonc21 ZINC000374667557 151391359 /nfs/dbraw/zinc/39/13/59/151391359.db2.gz XTVGUKUBYDWSKW-GFCCVEGCSA-N 0 0 325.328 2.595 10 5 EFBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000374721253 151401910 /nfs/dbraw/zinc/40/19/10/151401910.db2.gz YDJZUDHGMYQVRP-GFCCVEGCSA-N 0 0 347.321 2.973 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000375109113 151475594 /nfs/dbraw/zinc/47/55/94/151475594.db2.gz BJWXVEKBCGRXAF-HNNXBMFYSA-N 0 0 347.758 2.857 10 5 EFBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCCOC2 ZINC000375572681 151555922 /nfs/dbraw/zinc/55/59/22/151555922.db2.gz HGEHHDVHDQLOEU-HNNXBMFYSA-N 0 0 326.299 2.516 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000375893294 151617165 /nfs/dbraw/zinc/61/71/65/151617165.db2.gz YHWMVNFJKNKIFS-DAXOMENPSA-N 0 0 348.399 2.927 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C12CCOCC2 ZINC000192503872 286275024 /nfs/dbraw/zinc/27/50/24/286275024.db2.gz ILQAVPMIEPQTGK-HUUCEWRRSA-N 0 0 348.399 2.607 10 5 EFBERN COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000376608052 151744471 /nfs/dbraw/zinc/74/44/71/151744471.db2.gz CDOFHKSEYLELPC-CVEARBPZSA-N 0 0 340.335 2.726 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000377223696 151840756 /nfs/dbraw/zinc/84/07/56/151840756.db2.gz LNRWQXRCZJSGEE-OAHLLOKOSA-N 0 0 335.360 2.636 10 5 EFBERN COc1cc(CC2CN(c3ncccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000378060032 151997283 /nfs/dbraw/zinc/99/72/83/151997283.db2.gz ZXBYDXHCOUBETK-UHFFFAOYSA-N 0 0 329.356 2.686 10 5 EFBERN Nc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000378394229 152075444 /nfs/dbraw/zinc/07/54/44/152075444.db2.gz JSIRPWCGKDDHEP-RHSMWYFYSA-N 0 0 341.367 2.685 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000378495237 152100574 /nfs/dbraw/zinc/10/05/74/152100574.db2.gz XZPCHDCVHPVLRV-LBPRGKRZSA-N 0 0 346.362 2.877 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC=C(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000378545348 152113479 /nfs/dbraw/zinc/11/34/79/152113479.db2.gz BOXJSBKCFXRDMB-UHFFFAOYSA-N 0 0 326.356 2.728 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC[C@H]2COCC[C@H]21 ZINC000408024662 152145084 /nfs/dbraw/zinc/14/50/84/152145084.db2.gz FOXARSRORNSXKC-SMDDNHRTSA-N 0 0 329.356 2.717 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000408171872 152160018 /nfs/dbraw/zinc/16/00/18/152160018.db2.gz ORYCSHPAVJDXLF-CZUORRHYSA-N 0 0 338.429 2.937 10 5 EFBERN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408277064 152171482 /nfs/dbraw/zinc/17/14/82/152171482.db2.gz NEIKBRZCWUCOET-BDJLRTHQSA-N 0 0 337.351 2.893 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000408331626 152177183 /nfs/dbraw/zinc/17/71/83/152177183.db2.gz RTNDJXYVHNNNSJ-QAPCUYQASA-N 0 0 347.415 2.740 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000408341004 152178368 /nfs/dbraw/zinc/17/83/68/152178368.db2.gz QALWDFRADOCRCY-UHFFFAOYSA-N 0 0 328.365 2.773 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000408404989 152186248 /nfs/dbraw/zinc/18/62/48/152186248.db2.gz KQOTVJWQNKTMPW-RKDXNWHRSA-N 0 0 332.809 2.833 10 5 EFBERN COc1ccc(Oc2ncncc2Br)c([N+](=O)[O-])c1 ZINC000090782995 286347240 /nfs/dbraw/zinc/34/72/40/286347240.db2.gz FWIHAEYUSJQAMG-UHFFFAOYSA-N 0 0 326.106 2.948 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=O)Nc2ccccc21 ZINC000173047054 286383694 /nfs/dbraw/zinc/38/36/94/286383694.db2.gz DVUKDRBVBXYJQJ-UHFFFAOYSA-N 0 0 341.323 2.592 10 5 EFBERN CCOc1ccc([C@@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000378310951 286568269 /nfs/dbraw/zinc/56/82/69/286568269.db2.gz VNHJVOULOWXEAQ-AWEZNQCLSA-N 0 0 344.371 2.704 10 5 EFBERN CC(C)(NC(=O)c1cn2ccnc2s1)c1ccccc1[N+](=O)[O-] ZINC000345808865 164590543 /nfs/dbraw/zinc/59/05/43/164590543.db2.gz RAWVXCQUXXKDEH-UHFFFAOYSA-N 0 0 330.369 2.969 10 5 EFBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000123614060 222305410 /nfs/dbraw/zinc/30/54/10/222305410.db2.gz VZXDFONFDDPWAX-IUCAKERBSA-N 0 0 332.278 2.863 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1nccs1 ZINC000124827044 222483604 /nfs/dbraw/zinc/48/36/04/222483604.db2.gz JCVKWGSGNXSMLX-QMMMGPOBSA-N 0 0 327.387 2.628 10 5 EFBERN CCc1nc(NC(=O)CN(C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000052589547 292640843 /nfs/dbraw/zinc/64/08/43/292640843.db2.gz HCEDOTMVVSYUJL-UHFFFAOYSA-N 0 0 348.428 2.993 10 5 EFBERN Cc1ccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000052632849 292641157 /nfs/dbraw/zinc/64/11/57/292641157.db2.gz VGTRVBXLRCXGQO-UHFFFAOYSA-N 0 0 329.356 2.758 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Cc1ccc(C[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000191037243 265249341 /nfs/dbraw/zinc/24/93/41/265249341.db2.gz BDLDUKXKFSDJPZ-HNNXBMFYSA-N 0 0 328.368 2.545 10 5 EFBERN CO[C@H]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000191426411 265264010 /nfs/dbraw/zinc/26/40/10/265264010.db2.gz HCHBWROEGXUZQU-HOCLYGCPSA-N 0 0 335.404 2.784 10 5 EFBERN C[C@](O)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000191507793 265266102 /nfs/dbraw/zinc/26/61/02/265266102.db2.gz SBUSJMLAYBIDQA-SFHVURJKSA-N 0 0 349.431 2.768 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191674047 265272910 /nfs/dbraw/zinc/27/29/10/265272910.db2.gz JDCBCYCZDFXXNA-RIMOFGSCSA-N 0 0 330.384 2.882 10 5 EFBERN COC(=O)CC1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000191818814 265279474 /nfs/dbraw/zinc/27/94/74/265279474.db2.gz GKMTUXFTRNFXDL-UHFFFAOYSA-N 0 0 346.383 2.998 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000192871130 265311363 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CCc1nnc([C@@H](C)NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000270696090 265781755 /nfs/dbraw/zinc/78/17/55/265781755.db2.gz RZXQBBLKONIJCS-MFKMUULPSA-N 0 0 346.391 2.787 10 5 EFBERN CC1CCN(c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000270744163 265795266 /nfs/dbraw/zinc/79/52/66/265795266.db2.gz AQBJVKMDNKHRAC-UHFFFAOYSA-N 0 0 343.387 2.817 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccccc2Cl)n1 ZINC000270771037 265802412 /nfs/dbraw/zinc/80/24/12/265802412.db2.gz QBUNUFQATIFLLU-LBPRGKRZSA-N 0 0 334.763 2.959 10 5 EFBERN CCCCOC(=O)c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000270945668 265855511 /nfs/dbraw/zinc/85/55/11/265855511.db2.gz DEYMIEOSUKJUGC-UHFFFAOYSA-N 0 0 346.343 2.538 10 5 EFBERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271076096 265895271 /nfs/dbraw/zinc/89/52/71/265895271.db2.gz ZQMCXEPZKWCZQQ-BZPMIXESSA-N 0 0 328.372 2.735 10 5 EFBERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271076099 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EFBERN CC(C)c1nnc(NC(=O)CN[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000271685652 266041642 /nfs/dbraw/zinc/04/16/42/266041642.db2.gz DHYSYXJFCLMTGK-SNVBAGLBSA-N 0 0 349.416 2.859 10 5 EFBERN C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271689076 266042411 /nfs/dbraw/zinc/04/24/11/266042411.db2.gz DTIUYKHKYBFTCD-ZFWWWQNUSA-N 0 0 343.383 2.559 10 5 EFBERN C[C@H](NC(=O)NC[C@](C)(O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271721733 266049938 /nfs/dbraw/zinc/04/99/38/266049938.db2.gz WTVJIKZXNGJCLJ-UGSOOPFHSA-N 0 0 343.383 2.863 10 5 EFBERN C[C@H](NC(=O)NC[C@@H]1COC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000271725036 266050030 /nfs/dbraw/zinc/05/00/30/266050030.db2.gz SERGBWZCBJUBCP-QWHCGFSZSA-N 0 0 349.387 2.641 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271728988 266050705 /nfs/dbraw/zinc/05/07/05/266050705.db2.gz NBGMMCUULVNPIX-HIFRSBDPSA-N 0 0 343.383 2.731 10 5 EFBERN CC[C@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000271731688 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COC(=O)c1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)cc(C)c1[N+](=O)[O-] ZINC000372179017 277423418 /nfs/dbraw/zinc/42/34/18/277423418.db2.gz ABZPDIDKZVRINQ-CHWSQXEVSA-N 0 0 334.372 2.553 10 5 EFBERN COc1nn(C)cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000354719955 277490883 /nfs/dbraw/zinc/49/08/83/277490883.db2.gz XVEGDUQERYNRLD-UHFFFAOYSA-N 0 0 345.359 2.533 10 5 EFBERN CO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1C ZINC000187748243 277664201 /nfs/dbraw/zinc/66/42/01/277664201.db2.gz NCDYUABNVRPIBU-IAQYHMDHSA-N 0 0 329.356 2.640 10 5 EFBERN CC(C)[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000348100071 277757674 /nfs/dbraw/zinc/75/76/74/277757674.db2.gz XSZUCVQPLBSRJK-GFCCVEGCSA-N 0 0 348.277 2.683 10 5 EFBERN CC(C)[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000344590613 277911617 /nfs/dbraw/zinc/91/16/17/277911617.db2.gz ZSACAXZZEXWVMP-LBPRGKRZSA-N 0 0 348.325 2.893 10 5 EFBERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000076357927 277944062 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CCc1cnc([C@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])s1 ZINC000301517268 311141936 /nfs/dbraw/zinc/14/19/36/311141936.db2.gz CECXMFKKQZDOLW-VIFPVBQESA-N 0 0 345.384 2.795 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccccn2)c2ccncc21 ZINC000301524028 311142424 /nfs/dbraw/zinc/14/24/24/311142424.db2.gz FGLFJURCGLYULA-ZDUSSCGKSA-N 0 0 338.367 2.801 10 5 EFBERN Cc1noc(C)c1CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301565135 311144823 /nfs/dbraw/zinc/14/48/23/311144823.db2.gz LSHOJFWCYPWAJW-UHFFFAOYSA-N 0 0 343.343 2.893 10 5 EFBERN COc1cc(N[C@H]2CCN(CC(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000301611187 311147781 /nfs/dbraw/zinc/14/77/81/311147781.db2.gz DKLJZSHLTHJXIR-QMMMGPOBSA-N 0 0 337.273 2.791 10 5 EFBERN COc1ccccc1N1CC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000301620540 311148241 /nfs/dbraw/zinc/14/82/41/311148241.db2.gz XRJLTPFIKDRBAB-CYBMUJFWSA-N 0 0 328.372 2.998 10 5 EFBERN COc1cc(NCCC(=O)Nc2ccc(C)cn2)c([N+](=O)[O-])cc1F ZINC000301627228 311148350 /nfs/dbraw/zinc/14/83/50/311148350.db2.gz QWCXSCNDVDVNJP-UHFFFAOYSA-N 0 0 348.334 2.887 10 5 EFBERN COc1cc(N[C@H]2CCCN(c3cnn(C)c3)C2)c([N+](=O)[O-])cc1F ZINC000301640749 311149320 /nfs/dbraw/zinc/14/93/20/311149320.db2.gz NGUJFYNBIXEDDI-NSHDSACASA-N 0 0 349.366 2.557 10 5 EFBERN COc1cc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000301643665 311149563 /nfs/dbraw/zinc/14/95/63/311149563.db2.gz ZZGWTNWCOCOMDF-JTQLQIEISA-N 0 0 334.303 2.994 10 5 EFBERN O=[N+]([O-])c1c(N2CCO[C@@H](c3cccc(O)c3)C2)nc2sccn21 ZINC000301722692 311154943 /nfs/dbraw/zinc/15/49/43/311154943.db2.gz NSABDBDRSBOIGB-GFCCVEGCSA-N 0 0 346.368 2.588 10 5 EFBERN O=[N+]([O-])c1cc(F)c(N2CCCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000301761606 311156968 /nfs/dbraw/zinc/15/69/68/311156968.db2.gz BMICSLAXAYPJFU-LBPRGKRZSA-N 0 0 341.358 2.564 10 5 EFBERN CN(C)c1ccc(CCCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301864927 311163381 /nfs/dbraw/zinc/16/33/81/311163381.db2.gz BGFSVEYVZXGHDD-UHFFFAOYSA-N 0 0 340.387 2.748 10 5 EFBERN CO[C@@H]1CC[C@@H]2OCCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000301867632 311163676 /nfs/dbraw/zinc/16/36/76/311163676.db2.gz VTPNACCQMQAGJA-HONMWMINSA-N 0 0 328.315 2.646 10 5 EFBERN C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000301918154 311166662 /nfs/dbraw/zinc/16/66/62/311166662.db2.gz WJORDAZPPPROSG-NSHDSACASA-N 0 0 342.330 2.944 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCc2nc(-c3ccncc3)no2)c1 ZINC000301916298 311166742 /nfs/dbraw/zinc/16/67/42/311166742.db2.gz APSZYJXORBRXGL-UHFFFAOYSA-N 0 0 345.290 2.800 10 5 EFBERN COc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1Cl ZINC000301920550 311167057 /nfs/dbraw/zinc/16/70/57/311167057.db2.gz FQBWRAKVDKITCM-UHFFFAOYSA-N 0 0 333.735 2.912 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3OC(F)F)nn21 ZINC000301942419 311168006 /nfs/dbraw/zinc/16/80/06/311168006.db2.gz VMKHHEDCRLBXML-UHFFFAOYSA-N 0 0 335.270 2.851 10 5 EFBERN COc1cc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OC ZINC000301948213 311168237 /nfs/dbraw/zinc/16/82/37/311168237.db2.gz YKSNJIMQWJYAPP-UHFFFAOYSA-N 0 0 342.355 2.914 10 5 EFBERN Cc1cc(C)cc(OCCNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301954398 311168538 /nfs/dbraw/zinc/16/85/38/311168538.db2.gz DKPRWZACBRRADV-UHFFFAOYSA-N 0 0 327.344 2.745 10 5 EFBERN Cn1c(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc(Cl)c1Cl ZINC000301959343 311168663 /nfs/dbraw/zinc/16/86/63/311168663.db2.gz LWIXTVKFKPDKKG-UHFFFAOYSA-N 0 0 341.158 2.895 10 5 EFBERN Cc1ccn(-c2ccccc2CNc2ccc3ncc([N+](=O)[O-])n3n2)n1 ZINC000301958742 311168840 /nfs/dbraw/zinc/16/88/40/311168840.db2.gz LQTVMKQWUBBOLG-UHFFFAOYSA-N 0 0 349.354 2.744 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCOC4(C3)CCCCCC4)nn21 ZINC000301962736 311169074 /nfs/dbraw/zinc/16/90/74/311169074.db2.gz NDDKNKQTMJUBGD-UHFFFAOYSA-N 0 0 331.376 2.567 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000301962335 311169132 /nfs/dbraw/zinc/16/91/32/311169132.db2.gz RNMVSODFIAWSKD-VIFPVBQESA-N 0 0 335.339 2.843 10 5 EFBERN C[C@H](C[C@H](O)c1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301967854 311169246 /nfs/dbraw/zinc/16/92/46/311169246.db2.gz OZZVXPNSKDZTAY-YPMHNXCESA-N 0 0 327.344 2.562 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](c4ccc(F)cc4)C3)nn21 ZINC000301983962 311170375 /nfs/dbraw/zinc/17/03/75/311170375.db2.gz YNMZGIQSZNUHDL-LBPRGKRZSA-N 0 0 327.319 2.771 10 5 EFBERN Cc1cc(NC[C@](C)(O)c2cnn(C)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000301985650 311170487 /nfs/dbraw/zinc/17/04/87/311170487.db2.gz CNTSDMDLDRGUOT-KRWDZBQOSA-N 0 0 341.371 2.505 10 5 EFBERN Cc1ccccc1[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000301998488 311170955 /nfs/dbraw/zinc/17/09/55/311170955.db2.gz PLKVYNWZYVJNIU-CQSZACIVSA-N 0 0 339.355 2.524 10 5 EFBERN C[C@@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCc2ccccc21 ZINC000302006346 311171727 /nfs/dbraw/zinc/17/17/27/311171727.db2.gz VVBNYYRFWVFCPS-SFHVURJKSA-N 0 0 340.383 2.795 10 5 EFBERN CC(C)c1nc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)cs1 ZINC000302016906 311172199 /nfs/dbraw/zinc/17/21/99/311172199.db2.gz YUXYYXSHWZSONH-UHFFFAOYSA-N 0 0 332.389 2.872 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(Cl)cn3)cc2N1 ZINC000302038622 311173894 /nfs/dbraw/zinc/17/38/94/311173894.db2.gz VQPGIKRCDREEDF-UHFFFAOYSA-N 0 0 334.719 2.586 10 5 EFBERN COc1ccc2c(c1)OC[C@H](Nc1cc(CO)ccc1[N+](=O)[O-])C2 ZINC000302040377 311174281 /nfs/dbraw/zinc/17/42/81/311174281.db2.gz NLCQGQPJMKCKRY-CYBMUJFWSA-N 0 0 330.340 2.511 10 5 EFBERN C[C@@H](O)CN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302049032 311174735 /nfs/dbraw/zinc/17/47/35/311174735.db2.gz WMRZJLBWFGQVLX-VHSXEESVSA-N 0 0 348.230 2.793 10 5 EFBERN COc1cccc([C@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)c1 ZINC000302056379 311175393 /nfs/dbraw/zinc/17/53/93/311175393.db2.gz QRJWDLAZSSPGDS-GOSISDBHSA-N 0 0 344.367 2.674 10 5 EFBERN O=C1C[C@@H](CNc2cc(CO)ccc2[N+](=O)[O-])c2ccccc2N1 ZINC000302056272 311175398 /nfs/dbraw/zinc/17/53/98/311175398.db2.gz QNZZEQZNWHJZEA-LBPRGKRZSA-N 0 0 327.340 2.625 10 5 EFBERN CN(Cc1nc2ccccc2n1C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302058528 311175435 /nfs/dbraw/zinc/17/54/35/311175435.db2.gz RECGQHNPGWINCV-UHFFFAOYSA-N 0 0 326.356 2.610 10 5 EFBERN CC1CCC2(CC1)OC[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])O2 ZINC000302072440 311176315 /nfs/dbraw/zinc/17/63/15/311176315.db2.gz WHYKWBHEVFLSOY-KDJCLPLCSA-N 0 0 336.388 2.821 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)c2ccc(C)cc2)c1 ZINC000302101768 311178019 /nfs/dbraw/zinc/17/80/19/311178019.db2.gz QEWSFUDGKZOOKF-INIZCTEOSA-N 0 0 330.340 2.835 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)c2ccc(F)cc2)c1 ZINC000302111131 311178282 /nfs/dbraw/zinc/17/82/82/311178282.db2.gz UIAINIPNSKHQKH-HNNXBMFYSA-N 0 0 334.303 2.666 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)(O)c2ccc(F)cc2)c1 ZINC000302136051 311179790 /nfs/dbraw/zinc/17/97/90/311179790.db2.gz DFGDFKPWJYIHNB-KRWDZBQOSA-N 0 0 348.330 2.840 10 5 EFBERN Cc1noc(C)c1CO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000302143557 311180150 /nfs/dbraw/zinc/18/01/50/311180150.db2.gz ICZLINHBCVQZKH-AWEZNQCLSA-N 0 0 332.360 2.699 10 5 EFBERN C[C@@H]1CCC[C@H](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302142810 311180351 /nfs/dbraw/zinc/18/03/51/311180351.db2.gz PTGDVTOFMILJFS-VXGBXAGGSA-N 0 0 341.433 2.871 10 5 EFBERN O=C1[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CCCN1c1cccnc1 ZINC000302146627 311180520 /nfs/dbraw/zinc/18/05/20/311180520.db2.gz KVJVPXAAJLGOAU-AWEZNQCLSA-N 0 0 330.319 2.736 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000302145839 311180608 /nfs/dbraw/zinc/18/06/08/311180608.db2.gz KSJPXKXQPHDBGB-NSHDSACASA-N 0 0 340.351 2.722 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)nc1 ZINC000302156348 311181328 /nfs/dbraw/zinc/18/13/28/311181328.db2.gz MUUADMRQVIYLLS-UHFFFAOYSA-N 0 0 342.281 2.511 10 5 EFBERN O=[N+]([O-])c1cnc(Sc2nnc(COc3ccc(F)cc3)o2)nc1 ZINC000302160013 311181626 /nfs/dbraw/zinc/18/16/26/311181626.db2.gz ORGRJHLGGSFDHG-UHFFFAOYSA-N 0 0 349.303 2.637 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)(O)c2cc(C)oc2C)c1 ZINC000302164791 311181730 /nfs/dbraw/zinc/18/17/30/311181730.db2.gz KQYFXWGYNOHDLT-QGZVFWFLSA-N 0 0 348.355 2.911 10 5 EFBERN C[C@H]1CN(Cc2cccc(Nc3ncc([N+](=O)[O-])cn3)c2)C[C@H](C)O1 ZINC000302174324 311182486 /nfs/dbraw/zinc/18/24/86/311182486.db2.gz WGGGSEXAOBEACH-STQMWFEESA-N 0 0 343.387 2.738 10 5 EFBERN Cc1nc(N2CCC(c3noc(C4CC4)n3)CC2)ccc1[N+](=O)[O-] ZINC000302186722 311183221 /nfs/dbraw/zinc/18/32/21/311183221.db2.gz VSMLVVVKKNYAFI-UHFFFAOYSA-N 0 0 329.360 2.943 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc([S@@](C)=O)cc2)c1 ZINC000302206847 311184627 /nfs/dbraw/zinc/18/46/27/311184627.db2.gz XIFAMYIIOJLXBK-XMMPIXPASA-N 0 0 348.380 2.731 10 5 EFBERN Cc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCCO ZINC000302215271 311185292 /nfs/dbraw/zinc/18/52/92/311185292.db2.gz ZXDNBZHFAOALQU-UHFFFAOYSA-N 0 0 333.300 2.926 10 5 EFBERN CCC1(CC)CN(c2cc(OC)c([N+](=O)[O-])cc2F)CC[S@@]1=O ZINC000302224936 311185807 /nfs/dbraw/zinc/18/58/07/311185807.db2.gz QSSKGVARWOFIPG-QHCPKHFHSA-N 0 0 344.408 2.870 10 5 EFBERN CCC1(CC)CN(c2c(F)cc([N+](=O)[O-])cc2F)CCS1(=O)=O ZINC000302396718 311189061 /nfs/dbraw/zinc/18/90/61/311189061.db2.gz CYQHQNDBSYYABU-UHFFFAOYSA-N 0 0 348.371 2.667 10 5 EFBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c(C)c2)CCS1(=O)=O ZINC000302442947 311189927 /nfs/dbraw/zinc/18/99/27/311189927.db2.gz NJNWSMJIVQQTCF-UHFFFAOYSA-N 0 0 326.418 2.697 10 5 EFBERN CSCc1cccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000302524326 311192585 /nfs/dbraw/zinc/19/25/85/311192585.db2.gz ZDZIXCRNMNCHMZ-UHFFFAOYSA-N 0 0 332.385 2.564 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@H]3CCCO3)CC2)c1 ZINC000302541240 311192793 /nfs/dbraw/zinc/19/27/93/311192793.db2.gz HQBJFRQVGFNJRT-MRXNPFEDSA-N 0 0 334.372 2.777 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000302628655 311194520 /nfs/dbraw/zinc/19/45/20/311194520.db2.gz IRKHOKUKKPWQFS-UKRRQHHQSA-N 0 0 332.381 2.966 10 5 EFBERN CC[C@@H]1CN(c2c(C)cc([N+](=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000302688715 311196716 /nfs/dbraw/zinc/19/67/16/311196716.db2.gz RCGGTLPKMPCNKY-QWHCGFSZSA-N 0 0 341.839 2.838 10 5 EFBERN C[C@@](O)(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CCCCC1 ZINC000302741141 311198886 /nfs/dbraw/zinc/19/88/86/311198886.db2.gz ZBSOCXCXLYSQDH-QGZVFWFLSA-N 0 0 346.387 2.987 10 5 EFBERN COC(=O)c1cnc(NC[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000302769719 311200045 /nfs/dbraw/zinc/20/00/45/311200045.db2.gz MNRRHEZVYVKCPK-MRXNPFEDSA-N 0 0 337.376 2.520 10 5 EFBERN COC(=O)c1cnc(Oc2cccc(-n3cccn3)c2)c([N+](=O)[O-])c1 ZINC000302767980 311200107 /nfs/dbraw/zinc/20/01/07/311200107.db2.gz MDJCZTKVAHCAHI-UHFFFAOYSA-N 0 0 340.295 2.754 10 5 EFBERN CC(C)COC(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302789436 311201369 /nfs/dbraw/zinc/20/13/69/311201369.db2.gz DYEAQAQCZCGLMO-UHFFFAOYSA-N 0 0 325.340 2.649 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2ccnc(C)n2)CC1 ZINC000302833480 311203815 /nfs/dbraw/zinc/20/38/15/311203815.db2.gz SLTGHVBFMVTNGT-UHFFFAOYSA-N 0 0 347.806 2.982 10 5 EFBERN Cc1cc(N2CCC(c3nc(N(C)C)no3)CC2)ccc1[N+](=O)[O-] ZINC000302863963 311204901 /nfs/dbraw/zinc/20/49/01/311204901.db2.gz XGCRPCAGVNXWGP-UHFFFAOYSA-N 0 0 331.376 2.736 10 5 EFBERN O=C(NCCCNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccccc1 ZINC000302868618 311205265 /nfs/dbraw/zinc/20/52/65/311205265.db2.gz AMRSDPWSRXYUHA-UHFFFAOYSA-N 0 0 340.383 2.795 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000320026035 311237099 /nfs/dbraw/zinc/23/70/99/311237099.db2.gz HJNSZORMAJNPOV-GMTAPVOTSA-N 0 0 330.381 2.789 10 5 EFBERN COC(=O)[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000327853260 311245277 /nfs/dbraw/zinc/24/52/77/311245277.db2.gz JIIQOXFHVCWFEN-MLGOLLRUSA-N 0 0 342.351 2.729 10 5 EFBERN CC(C)N1CC[C@H](Nc2cc(Br)cc([N+](=O)[O-])c2)C1=O ZINC000330499330 311319740 /nfs/dbraw/zinc/31/97/40/311319740.db2.gz HPHXZECGHWYYOT-LBPRGKRZSA-N 0 0 342.193 2.779 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000330779163 311334435 /nfs/dbraw/zinc/33/44/35/311334435.db2.gz MFNZWHYBHFGRIA-BXUZGUMPSA-N 0 0 338.429 2.940 10 5 EFBERN CC(C)[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000330801457 311335770 /nfs/dbraw/zinc/33/57/70/311335770.db2.gz HUGJJOIOJCMPCS-CYBMUJFWSA-N 0 0 344.314 2.693 10 5 EFBERN C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000330806666 311335927 /nfs/dbraw/zinc/33/59/27/311335927.db2.gz HVBDNCYKOKZFCP-BXKDBHETSA-N 0 0 344.820 2.570 10 5 EFBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000330875672 311340601 /nfs/dbraw/zinc/34/06/01/311340601.db2.gz UPPNWXKMZSGHCO-BONVTDFDSA-N 0 0 326.418 2.963 10 5 EFBERN CC(C)COC1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000331211784 311361080 /nfs/dbraw/zinc/36/10/80/311361080.db2.gz JMMSVJXDDHGDNA-UHFFFAOYSA-N 0 0 338.408 2.719 10 5 EFBERN COc1ccc(NC(=O)c2cnc(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000341188108 311719892 /nfs/dbraw/zinc/71/98/92/311719892.db2.gz LDIVMQUNAFNQCB-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN O=C1CCC(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000350519413 311802766 /nfs/dbraw/zinc/80/27/66/311802766.db2.gz XRMMNLBHDYLMFL-UHFFFAOYSA-N 0 0 330.344 2.859 10 5 EFBERN COC(=O)c1cc(-c2nc([C@@H]3CCOC[C@H]3C)no2)cc([N+](=O)[O-])c1 ZINC000350590233 311810680 /nfs/dbraw/zinc/81/06/80/311810680.db2.gz HRRWLXDEJGSSMH-NOZJJQNGSA-N 0 0 347.327 2.571 10 5 EFBERN COC(=O)c1cc(-c2nc([C@H]3CCOC[C@@H]3C)no2)cc([N+](=O)[O-])c1 ZINC000350590241 311810771 /nfs/dbraw/zinc/81/07/71/311810771.db2.gz HRRWLXDEJGSSMH-ZANVPECISA-N 0 0 347.327 2.571 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3c[nH]c(=O)cc3C)n2)c1 ZINC000350910037 311833136 /nfs/dbraw/zinc/83/31/36/311833136.db2.gz YTTSEJPRFVZALR-UHFFFAOYSA-N 0 0 342.311 2.653 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(-c3scnc3C3CC3)n2)n1C ZINC000350922178 311834820 /nfs/dbraw/zinc/83/48/20/311834820.db2.gz HUUPVDLWGIZFHC-UHFFFAOYSA-N 0 0 332.345 2.688 10 5 EFBERN CC[C@@]1(C)C[C@@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000351002396 311842381 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O=C(Cc1noc(C(F)=C2CCC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000351296891 311877261 /nfs/dbraw/zinc/87/72/61/311877261.db2.gz RMNANHYLLLDRFB-UHFFFAOYSA-N 0 0 346.318 2.701 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(CO)c(Cl)c1 ZINC000354146565 311893259 /nfs/dbraw/zinc/89/32/59/311893259.db2.gz NZARZBCIBBITBJ-UHFFFAOYSA-N 0 0 336.731 2.758 10 5 EFBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CCCCO)C1CC1 ZINC000359373782 311905751 /nfs/dbraw/zinc/90/57/51/311905751.db2.gz LBYFYPZQYUDMQA-UHFFFAOYSA-N 0 0 344.314 2.573 10 5 EFBERN COC1([C@@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000412758367 312009064 /nfs/dbraw/zinc/00/90/64/312009064.db2.gz CYKXPVOMHAJSGQ-SECBINFHSA-N 0 0 344.314 2.884 10 5 EFBERN COC1([C@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000412758368 312009070 /nfs/dbraw/zinc/00/90/70/312009070.db2.gz CYKXPVOMHAJSGQ-VIFPVBQESA-N 0 0 344.314 2.884 10 5 EFBERN Cc1c(C(=O)N2CC(C)(C)C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000412780736 312012537 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C[C@]1(c2ccccc2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420601458 312375137 /nfs/dbraw/zinc/37/51/37/312375137.db2.gz NJHNCERRUGNDCK-SFHVURJKSA-N 0 0 325.368 2.862 10 5 EFBERN O=C(N[C@H]1CC12CC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000424987093 312516116 /nfs/dbraw/zinc/51/61/16/312516116.db2.gz NPJUKOCGCVPIOA-NSHDSACASA-N 0 0 330.262 2.818 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc2[nH]c(=O)oc21 ZINC000426824903 312530253 /nfs/dbraw/zinc/53/02/53/312530253.db2.gz JVTOCRPZSHJQLW-UHFFFAOYSA-N 0 0 349.249 2.901 10 5 EFBERN COC1CCC(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000426843967 312531570 /nfs/dbraw/zinc/53/15/70/312531570.db2.gz VEPJNBVLCMJWIT-UHFFFAOYSA-N 0 0 335.404 2.718 10 5 EFBERN Cc1nc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)nn1C ZINC000427261210 312539656 /nfs/dbraw/zinc/53/96/56/312539656.db2.gz VJKOJIBMDHMUMW-UHFFFAOYSA-N 0 0 329.385 2.794 10 5 EFBERN O=[N+]([O-])c1cccc(Cl)c1NCCC1CCS(=O)(=O)CC1 ZINC000432349016 312558795 /nfs/dbraw/zinc/55/87/95/312558795.db2.gz UBWOCBQSZSUGIR-UHFFFAOYSA-N 0 0 332.809 2.875 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000432364328 312559782 /nfs/dbraw/zinc/55/97/82/312559782.db2.gz HMABPGJSQSCKKT-UHFFFAOYSA-N 0 0 333.344 2.831 10 5 EFBERN COC[C@@](C)(NC(=O)Cc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000438925435 312625672 /nfs/dbraw/zinc/62/56/72/312625672.db2.gz KNLBYERDDLZBFC-CYBMUJFWSA-N 0 0 334.294 2.529 10 5 EFBERN COc1ccc(CNc2ncnc3c2CCCCC3)cc1[N+](=O)[O-] ZINC000439105269 312633709 /nfs/dbraw/zinc/63/37/09/312633709.db2.gz DIDKVLMOWBHNTI-UHFFFAOYSA-N 0 0 328.372 2.696 10 5 EFBERN O=[N+]([O-])c1cnccc1NC[C@@H](NCc1ccccc1)C(F)(F)F ZINC000450545530 312703885 /nfs/dbraw/zinc/70/38/85/312703885.db2.gz YJVCSKOTSPJXQC-CQSZACIVSA-N 0 0 340.305 2.544 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCc4c(F)cccc43)nn21 ZINC000450551807 312705859 /nfs/dbraw/zinc/70/58/59/312705859.db2.gz GQLVIRONMFTPMU-CYBMUJFWSA-N 0 0 327.319 2.688 10 5 EFBERN CC(C)(C)c1cc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)no1 ZINC000450578734 312713191 /nfs/dbraw/zinc/71/31/91/312713191.db2.gz BCRAQPKLLOFWPK-UHFFFAOYSA-N 0 0 328.328 2.639 10 5 EFBERN O=[N+]([O-])c1ccc(NCC2=CCOCC2)nc1OCc1ccccc1 ZINC000450623999 312723269 /nfs/dbraw/zinc/72/32/69/312723269.db2.gz ODJNJGMRZSRYJV-UHFFFAOYSA-N 0 0 341.367 2.749 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(N2CC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000450641579 312728395 /nfs/dbraw/zinc/72/83/95/312728395.db2.gz FZHPJMYBJCZZGR-CYBMUJFWSA-N 0 0 326.356 2.548 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)CCO1 ZINC000450735905 312735618 /nfs/dbraw/zinc/73/56/18/312735618.db2.gz HBFLXPUWPGNILR-WFASDCNBSA-N 0 0 330.388 2.823 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000450773311 312743732 /nfs/dbraw/zinc/74/37/32/312743732.db2.gz RAWSOSDYLMVLCO-RHSMWYFYSA-N 0 0 327.384 2.774 10 5 EFBERN CCCc1ncc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 ZINC000450844357 312757411 /nfs/dbraw/zinc/75/74/11/312757411.db2.gz HKHNFDANOQKOOS-UHFFFAOYSA-N 0 0 345.402 2.612 10 5 EFBERN CCOc1cc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000450873644 312764194 /nfs/dbraw/zinc/76/41/94/312764194.db2.gz DCHIAWPOVIDAHY-ZANVPECISA-N 0 0 334.294 2.743 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CCN(CC(F)(F)F)CC1 ZINC000450930801 312777450 /nfs/dbraw/zinc/77/74/50/312777450.db2.gz GBSNAAKBXPGFAQ-UHFFFAOYSA-N 0 0 349.357 2.583 10 5 EFBERN Cc1cnc(N(C)C2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000450939169 312779777 /nfs/dbraw/zinc/77/97/77/312779777.db2.gz PUMXDDRZRDTJAK-UHFFFAOYSA-N 0 0 332.326 2.761 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N(C)c2cccnc2C)cc1[N+](=O)[O-] ZINC000451063014 312809218 /nfs/dbraw/zinc/80/92/18/312809218.db2.gz FDABBIVMSJMFRM-UHFFFAOYSA-N 0 0 335.385 2.740 10 5 EFBERN Cc1cc(-c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)nn1C ZINC000453226844 312882484 /nfs/dbraw/zinc/88/24/84/312882484.db2.gz APJCCNRTCSBHQS-UHFFFAOYSA-N 0 0 340.343 2.712 10 5 EFBERN COCCCCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453243355 312883687 /nfs/dbraw/zinc/88/36/87/312883687.db2.gz XLCYKZLXOPOOOL-UHFFFAOYSA-N 0 0 332.360 2.972 10 5 EFBERN C[C@H](c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1)n1cccn1 ZINC000453238530 312883817 /nfs/dbraw/zinc/88/38/17/312883817.db2.gz OBTTWCSFVZWTDE-SNVBAGLBSA-N 0 0 340.343 2.809 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456091580 313024831 /nfs/dbraw/zinc/02/48/31/313024831.db2.gz FQUVVROICBGKOP-JGGQBBKZSA-N 0 0 336.363 2.890 10 5 EFBERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000456110149 313029650 /nfs/dbraw/zinc/02/96/50/313029650.db2.gz DQVVWZIQORLXRA-ZJUUUORDSA-N 0 0 348.325 2.716 10 5 EFBERN COc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000456123049 313031595 /nfs/dbraw/zinc/03/15/95/313031595.db2.gz VVYMVUULIUNYKQ-CFVMTHIKSA-N 0 0 348.399 2.759 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]([C@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000456133939 313034821 /nfs/dbraw/zinc/03/48/21/313034821.db2.gz BEBQWKPUVIIAPJ-RHSMWYFYSA-N 0 0 348.399 2.520 10 5 EFBERN C[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1cncnc1 ZINC000456135115 313035176 /nfs/dbraw/zinc/03/51/76/313035176.db2.gz HLLQNAJMIYAWPM-DZGCQCFKSA-N 0 0 340.383 2.895 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc2c([nH]1)CCOC2 ZINC000457578429 313040872 /nfs/dbraw/zinc/04/08/72/313040872.db2.gz NTFBWQZMRFBJRY-UHFFFAOYSA-N 0 0 343.383 2.748 10 5 EFBERN COC[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000457956947 313043120 /nfs/dbraw/zinc/04/31/20/313043120.db2.gz PECHNVUOZNRSPR-HNNXBMFYSA-N 0 0 335.404 2.595 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC)C(F)(F)F ZINC000469187442 313119813 /nfs/dbraw/zinc/11/98/13/313119813.db2.gz RPALKOSVBZVYFH-NSHDSACASA-N 0 0 340.323 2.776 10 5 EFBERN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471678569 313149085 /nfs/dbraw/zinc/14/90/85/313149085.db2.gz VBWBXSZOHDSFEB-YUSALJHKSA-N 0 0 342.779 2.699 10 5 EFBERN CCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000472351055 313188423 /nfs/dbraw/zinc/18/84/23/313188423.db2.gz VFNZLSJKUSBMHD-UHFFFAOYSA-N 0 0 342.417 2.852 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000474379092 313207706 /nfs/dbraw/zinc/20/77/06/313207706.db2.gz XXLPKOLNDRLGTQ-WZRBSPASSA-N 0 0 326.418 2.958 10 5 EFBERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000477947228 313246901 /nfs/dbraw/zinc/24/69/01/313246901.db2.gz ROBFXTZFQGYJRF-XEZPLFJOSA-N 0 0 341.367 2.921 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000477947229 313246955 /nfs/dbraw/zinc/24/69/55/313246955.db2.gz ROBFXTZFQGYJRF-ZENOOKHLSA-N 0 0 341.367 2.921 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])cn1 ZINC000477997659 313247805 /nfs/dbraw/zinc/24/78/05/313247805.db2.gz QLYAHFUBDWBTPF-ZFWWWQNUSA-N 0 0 333.388 2.938 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000479471316 313268954 /nfs/dbraw/zinc/26/89/54/313268954.db2.gz UNHTXHIDMXLSKH-LLVKDONJSA-N 0 0 344.820 2.977 10 5 EFBERN COCC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(C)o1 ZINC000479624967 313272661 /nfs/dbraw/zinc/27/26/61/313272661.db2.gz SPSOPRIDESCHGR-AWEZNQCLSA-N 0 0 333.344 2.707 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000480065140 313278701 /nfs/dbraw/zinc/27/87/01/313278701.db2.gz ZIKMNIVBPIHJKM-ZBFHGGJFSA-N 0 0 349.431 2.842 10 5 EFBERN Cc1c(CNC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000480064176 313278735 /nfs/dbraw/zinc/27/87/35/313278735.db2.gz UZYCTQWSJPNSDH-HZPDHXFCSA-N 0 0 347.415 2.861 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CCC(=O)OC(C)C)c1 ZINC000480583545 313281893 /nfs/dbraw/zinc/28/18/93/313281893.db2.gz RTFFBMUPVLQPRQ-NSHDSACASA-N 0 0 338.360 2.914 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[C@@H](c4cccc(F)c4)C3)nn21 ZINC000480786061 313283923 /nfs/dbraw/zinc/28/39/23/313283923.db2.gz KSZWGPNVHJMSDX-OCCSQVGLSA-N 0 0 341.346 2.947 10 5 EFBERN CCC[C@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(N)=O ZINC000485500541 313328638 /nfs/dbraw/zinc/32/86/38/313328638.db2.gz QSTZOANGPGUNHG-LBPRGKRZSA-N 0 0 336.392 2.668 10 5 EFBERN COc1ccc(S(=O)(=O)N(C)C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000486949157 313350987 /nfs/dbraw/zinc/35/09/87/313350987.db2.gz WLNUSRUUHZSFJF-UHFFFAOYSA-N 0 0 328.390 2.557 10 5 EFBERN C[C@@]1(CCCO)CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486964563 313353222 /nfs/dbraw/zinc/35/32/22/313353222.db2.gz IFAVWKFOTJGQSY-INIZCTEOSA-N 0 0 342.342 2.569 10 5 EFBERN COc1ccc(S(=O)(=O)N(C)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000486986474 313355622 /nfs/dbraw/zinc/35/56/22/313355622.db2.gz JSTWDHHGVWZMHS-UHFFFAOYSA-N 0 0 328.390 2.557 10 5 EFBERN C[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccnc1 ZINC000487011210 313357617 /nfs/dbraw/zinc/35/76/17/313357617.db2.gz BQMZBMMGLYDWLM-ZDUSSCGKSA-N 0 0 343.387 2.544 10 5 EFBERN Cc1c(CNC(=O)C[C@@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000487312407 313384976 /nfs/dbraw/zinc/38/49/76/313384976.db2.gz RNMZQACKYBOLRD-INIZCTEOSA-N 0 0 328.368 2.513 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1cc[nH]n1 ZINC000487478388 313397915 /nfs/dbraw/zinc/39/79/15/313397915.db2.gz SDNKUOVDHYBEHV-AWEZNQCLSA-N 0 0 336.298 2.502 10 5 EFBERN CC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000487718297 313421896 /nfs/dbraw/zinc/42/18/96/313421896.db2.gz IOYXXPYIKVSKKD-ACJLOTCBSA-N 0 0 343.383 2.917 10 5 EFBERN CN(CCCNC(=O)C1CCC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487733176 313422794 /nfs/dbraw/zinc/42/27/94/313422794.db2.gz RCPUABPVIJVQBT-UHFFFAOYSA-N 0 0 342.399 2.886 10 5 EFBERN CC[C@@H](NC(=O)COc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000487844647 313432414 /nfs/dbraw/zinc/43/24/14/313432414.db2.gz SIEFFVCPLRGDIH-MRXNPFEDSA-N 0 0 330.340 2.947 10 5 EFBERN CC(=O)NCC[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487999654 313448360 /nfs/dbraw/zinc/44/83/60/313448360.db2.gz NFZCFQDJAGTZEA-CQSZACIVSA-N 0 0 342.399 2.886 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCOC2(CCOCC2)C1 ZINC000488082005 313456493 /nfs/dbraw/zinc/45/64/93/313456493.db2.gz DBUKUMAURAGELX-ZDUSSCGKSA-N 0 0 343.383 2.705 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCCOc1ncccc1F ZINC000488088877 313457344 /nfs/dbraw/zinc/45/73/44/313457344.db2.gz NDQUGLWJVGOFSB-UHFFFAOYSA-N 0 0 328.303 2.590 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000488643486 313501199 /nfs/dbraw/zinc/50/11/99/313501199.db2.gz KTEWXHRLBRZFTD-ZFWWWQNUSA-N 0 0 343.387 2.557 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccc(C)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000489767627 313604039 /nfs/dbraw/zinc/60/40/39/313604039.db2.gz CIGMFNAJCRUDOA-UHFFFAOYSA-N 0 0 343.339 2.954 10 5 EFBERN CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490583325 313660935 /nfs/dbraw/zinc/66/09/35/313660935.db2.gz VAKIPCATTNKZAP-UHFFFAOYSA-N 0 0 329.360 2.580 10 5 EFBERN Cc1ccc(NS(=O)(=O)c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000493130851 314251883 /nfs/dbraw/zinc/25/18/83/314251883.db2.gz IFIOHYWWNZPVCN-UHFFFAOYSA-N 0 0 335.385 2.770 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000493601703 314415215 /nfs/dbraw/zinc/41/52/15/314415215.db2.gz DBBUZYSTKHJZQF-UHFFFAOYSA-N 0 0 331.763 2.957 10 5 EFBERN CCOC[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494722435 314628765 /nfs/dbraw/zinc/62/87/65/314628765.db2.gz ZOZNHFMPHKHCMC-JTQLQIEISA-N 0 0 330.768 2.558 10 5 EFBERN O=C(Nc1ccccc1)C1(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000495168076 314676225 /nfs/dbraw/zinc/67/62/25/314676225.db2.gz PZHVLOURIQPEMT-UHFFFAOYSA-N 0 0 329.331 2.995 10 5 EFBERN COC1CCC(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000499114174 315409784 /nfs/dbraw/zinc/40/97/84/315409784.db2.gz WWJVGYVEHRBDGZ-UHFFFAOYSA-N 0 0 349.431 2.984 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2ccccc2C1 ZINC000502978401 315440837 /nfs/dbraw/zinc/44/08/37/315440837.db2.gz HKEGOQLFYBIYRP-AWEZNQCLSA-N 0 0 326.352 2.891 10 5 EFBERN CCc1cc(NC(=O)[C@H]2C[C@@H]2C(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000509307269 315499167 /nfs/dbraw/zinc/49/91/67/315499167.db2.gz ZNGQRLPPVUOTNT-QWRGUYRKSA-N 0 0 335.310 2.967 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000515474686 315620545 /nfs/dbraw/zinc/62/05/45/315620545.db2.gz ZWRRSOIOJOZOTD-ZDUSSCGKSA-N 0 0 349.391 2.520 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)O1 ZINC000516339726 315672391 /nfs/dbraw/zinc/67/23/91/315672391.db2.gz FVMXJJBCCGPYCO-USBNGQNGSA-N 0 0 331.372 2.548 10 5 EFBERN COC(=O)[C@]1(C)CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000517233576 315748661 /nfs/dbraw/zinc/74/86/61/315748661.db2.gz VRGGTIIFCGMQDD-QGZVFWFLSA-N 0 0 333.388 2.648 10 5 EFBERN CCC[C@@H](NC(=O)c1ccnc(NC)c1[N+](=O)[O-])C1CCCCC1 ZINC000518214461 315801539 /nfs/dbraw/zinc/80/15/39/315801539.db2.gz TZEMQKDWDKGGRI-CQSZACIVSA-N 0 0 334.420 2.932 10 5 EFBERN CNc1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000518270250 315803813 /nfs/dbraw/zinc/80/38/13/315803813.db2.gz YXRFSTSJZNBBEC-OAHLLOKOSA-N 0 0 343.387 2.737 10 5 EFBERN Cc1c(CN(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000519521282 315866051 /nfs/dbraw/zinc/86/60/51/315866051.db2.gz SWTFDQYOAITCSK-LLVKDONJSA-N 0 0 331.376 2.539 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000519583383 315874929 /nfs/dbraw/zinc/87/49/29/315874929.db2.gz CLSAOWZMDCOXIW-ZBFHGGJFSA-N 0 0 335.404 2.845 10 5 EFBERN O=C1CCCN1[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000519740336 315903478 /nfs/dbraw/zinc/90/34/78/315903478.db2.gz JFNCGUFVPVCYOC-CYBMUJFWSA-N 0 0 340.383 2.734 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NCC1(O)Cc2ccccc2C1 ZINC000519740797 315904369 /nfs/dbraw/zinc/90/43/69/315904369.db2.gz WRRSWFDGPICXJJ-UHFFFAOYSA-N 0 0 335.363 2.507 10 5 EFBERN CNc1ccc(C(=O)N2CCc3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000520181665 315934088 /nfs/dbraw/zinc/93/40/88/315934088.db2.gz GTZAGESIYPPMNB-UHFFFAOYSA-N 0 0 327.340 2.848 10 5 EFBERN CC[C@](C)(CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)OC ZINC000520348764 315949147 /nfs/dbraw/zinc/94/91/47/315949147.db2.gz WPNGEXLMXLKAEU-QGZVFWFLSA-N 0 0 348.403 2.733 10 5 EFBERN O=C(Nc1csc(-c2ccncc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000520846060 315985660 /nfs/dbraw/zinc/98/56/60/315985660.db2.gz FJPJIZWNBXNIOG-UHFFFAOYSA-N 0 0 327.325 2.761 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2ccccc2C1 ZINC000522184224 316078539 /nfs/dbraw/zinc/07/85/39/316078539.db2.gz ANADBNDLJLVPEG-QGZVFWFLSA-N 0 0 339.395 2.994 10 5 EFBERN COC(=O)c1cc(NC(=O)C[C@@H](C)n2cccc2)cc([N+](=O)[O-])c1 ZINC000522919366 316105008 /nfs/dbraw/zinc/10/50/08/316105008.db2.gz UFFCYKGKFRCGSN-LLVKDONJSA-N 0 0 331.328 2.773 10 5 EFBERN O=c1c2cc(NCc3csc([N+](=O)[O-])c3)ccc2nc2n1CCC2 ZINC000525175105 316193291 /nfs/dbraw/zinc/19/32/91/316193291.db2.gz QHIXVNZPMNBPLE-UHFFFAOYSA-N 0 0 342.380 2.925 10 5 EFBERN COCCNC(=O)c1ccccc1NCc1csc([N+](=O)[O-])c1 ZINC000525175900 316194283 /nfs/dbraw/zinc/19/42/83/316194283.db2.gz WPJKXLKEXMWYIL-UHFFFAOYSA-N 0 0 335.385 2.645 10 5 EFBERN Cc1ccc(CC[C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000525671825 316224660 /nfs/dbraw/zinc/22/46/60/316224660.db2.gz VQSDOOXDKPXCPI-SNVBAGLBSA-N 0 0 346.339 2.976 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1NC(C)=O ZINC000525706840 316228913 /nfs/dbraw/zinc/22/89/13/316228913.db2.gz BGSPETAGEZZPES-UHFFFAOYSA-N 0 0 342.355 2.525 10 5 EFBERN Cc1ccc2[nH]c(CNC(=O)NCc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000525815255 316240701 /nfs/dbraw/zinc/24/07/01/316240701.db2.gz QGWUDMNBTUXRSV-UHFFFAOYSA-N 0 0 339.355 2.779 10 5 EFBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(OC)c(C)c1OC ZINC000527031039 316323524 /nfs/dbraw/zinc/32/35/24/316323524.db2.gz IVISKPSMWQHAMM-UHFFFAOYSA-N 0 0 347.327 2.576 10 5 EFBERN C[C@H](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)n1cccc1 ZINC000527054120 316326857 /nfs/dbraw/zinc/32/68/57/316326857.db2.gz PHAZGQOJDLJVFB-CYBMUJFWSA-N 0 0 329.356 2.637 10 5 EFBERN COc1cnccc1[C@@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000527078519 316330708 /nfs/dbraw/zinc/33/07/08/316330708.db2.gz ZPONAUHWVSZOKG-GFCCVEGCSA-N 0 0 344.371 2.601 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000527124999 316337217 /nfs/dbraw/zinc/33/72/17/316337217.db2.gz ASZKJGNMQQXUDM-HNNXBMFYSA-N 0 0 340.763 2.628 10 5 EFBERN COC(=O)[C@](C)(NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000527125000 316337232 /nfs/dbraw/zinc/33/72/32/316337232.db2.gz ASZKJGNMQQXUDM-OAHLLOKOSA-N 0 0 340.763 2.628 10 5 EFBERN COc1ccc(CC(=O)N[C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000527307679 316365601 /nfs/dbraw/zinc/36/56/01/316365601.db2.gz WMDHJPSZVVNZQU-ZDUSSCGKSA-N 0 0 334.294 2.849 10 5 EFBERN Cc1ccncc1CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530430972 317125761 /nfs/dbraw/zinc/12/57/61/317125761.db2.gz YVVFCILQSVRANZ-UHFFFAOYSA-N 0 0 325.328 2.583 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000530510572 317140009 /nfs/dbraw/zinc/14/00/09/317140009.db2.gz QVTJAAONUCUERH-IJLUTSLNSA-N 0 0 334.372 2.873 10 5 EFBERN CCN(CC)S(=O)(=O)c1ccc(N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000530538212 317143867 /nfs/dbraw/zinc/14/38/67/317143867.db2.gz JSWZXPZISLCGGK-TXEJJXNPSA-N 0 0 341.433 2.612 10 5 EFBERN COc1ccc(CC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000530849621 317186408 /nfs/dbraw/zinc/18/64/08/317186408.db2.gz AQKZYLWTMRPWMW-GOSISDBHSA-N 0 0 348.399 2.565 10 5 EFBERN COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000531328373 317251734 /nfs/dbraw/zinc/25/17/34/317251734.db2.gz IJMOFYOJUMUJNH-UHFFFAOYSA-N 0 0 334.372 2.899 10 5 EFBERN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531624270 317292746 /nfs/dbraw/zinc/29/27/46/317292746.db2.gz IDTYMSYNZJIMSE-UHFFFAOYSA-N 0 0 340.339 2.899 10 5 EFBERN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531624443 317292984 /nfs/dbraw/zinc/29/29/84/317292984.db2.gz IUOUKWAHFJGOIY-UHFFFAOYSA-N 0 0 337.295 2.824 10 5 EFBERN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1OC ZINC000531629523 317293435 /nfs/dbraw/zinc/29/34/35/317293435.db2.gz BMXJICRCYOMNHK-UHFFFAOYSA-N 0 0 328.284 2.724 10 5 EFBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000531628187 317293455 /nfs/dbraw/zinc/29/34/55/317293455.db2.gz NEDUROPGALKMAD-SNVBAGLBSA-N 0 0 335.747 2.841 10 5 EFBERN O=C(NCCOc1cccc2ccccc21)c1ccc([N+](=O)[O-])cn1 ZINC000531627816 317293462 /nfs/dbraw/zinc/29/34/62/317293462.db2.gz WKGKARAIGSVLPK-UHFFFAOYSA-N 0 0 337.335 2.952 10 5 EFBERN O=C(Nc1c(F)cccc1N1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531628655 317293483 /nfs/dbraw/zinc/29/34/83/317293483.db2.gz VWSAWUUQPUNJPX-UHFFFAOYSA-N 0 0 330.319 2.981 10 5 EFBERN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531882533 317327409 /nfs/dbraw/zinc/32/74/09/317327409.db2.gz VZBPVNKHIFVIML-UHFFFAOYSA-N 0 0 337.295 2.824 10 5 EFBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000531881467 317327709 /nfs/dbraw/zinc/32/77/09/317327709.db2.gz MLNAFVZXTBAQRF-ZDUSSCGKSA-N 0 0 343.339 2.642 10 5 EFBERN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531887926 317328392 /nfs/dbraw/zinc/32/83/92/317328392.db2.gz FGPDILBECFMBQU-UHFFFAOYSA-N 0 0 342.355 2.724 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccco1)CC(F)(F)F ZINC000532137452 317360282 /nfs/dbraw/zinc/36/02/82/317360282.db2.gz QXPGSCNHJHJRHF-UHFFFAOYSA-N 0 0 329.234 2.788 10 5 EFBERN CN(C(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)c1ccc2c(c1)OCO2 ZINC000532137043 317360564 /nfs/dbraw/zinc/36/05/64/317360564.db2.gz XZKZPSLFUJYZQK-UHFFFAOYSA-N 0 0 343.339 2.726 10 5 EFBERN COCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000532138708 317361158 /nfs/dbraw/zinc/36/11/58/317361158.db2.gz KNNALTDMHYYBKV-ZDUSSCGKSA-N 0 0 329.356 2.840 10 5 EFBERN O=C(NCCCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000532139211 317361189 /nfs/dbraw/zinc/36/11/89/317361189.db2.gz SEFYYVANANORAO-UHFFFAOYSA-N 0 0 346.412 2.688 10 5 EFBERN O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc([N+](=O)[O-])cn1 ZINC000532138466 317361351 /nfs/dbraw/zinc/36/13/51/317361351.db2.gz MMFHGDJMZWCRFA-UHFFFAOYSA-N 0 0 328.328 2.959 10 5 EFBERN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1C ZINC000532145207 317361922 /nfs/dbraw/zinc/36/19/22/317361922.db2.gz ULUHENGOCKGMMW-AWEZNQCLSA-N 0 0 329.356 2.886 10 5 EFBERN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1F ZINC000532145943 317362456 /nfs/dbraw/zinc/36/24/56/317362456.db2.gz CKTMYSXBPIJIEJ-GFCCVEGCSA-N 0 0 333.319 2.716 10 5 EFBERN COc1ccc(OC(F)F)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532387882 317393510 /nfs/dbraw/zinc/39/35/10/317393510.db2.gz ZWZPVWYRQOWZBM-UHFFFAOYSA-N 0 0 339.254 2.852 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000532391416 317394306 /nfs/dbraw/zinc/39/43/06/317394306.db2.gz YZGQFSNRTHRQPN-UHFFFAOYSA-N 0 0 346.774 2.606 10 5 EFBERN O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cn1 ZINC000532391395 317394468 /nfs/dbraw/zinc/39/44/68/317394468.db2.gz SARMQVPBEDXGOD-ZDUSSCGKSA-N 0 0 331.303 2.773 10 5 EFBERN 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O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000546003803 317948117 /nfs/dbraw/zinc/94/81/17/317948117.db2.gz DRLKVDXSVNEEIC-MRVPVSSYSA-N 0 0 346.261 2.738 10 5 EFBERN CCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc21 ZINC000546812642 317982166 /nfs/dbraw/zinc/98/21/66/317982166.db2.gz CXROHDOIXSMQKG-UHFFFAOYSA-N 0 0 340.339 2.541 10 5 EFBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000547337860 317998007 /nfs/dbraw/zinc/99/80/07/317998007.db2.gz WYNDADPEWNTEEQ-SNVBAGLBSA-N 0 0 331.376 2.741 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C)ncc1Cl ZINC000547372089 318001709 /nfs/dbraw/zinc/00/17/09/318001709.db2.gz GDYFARGCGNPPOG-UHFFFAOYSA-N 0 0 336.735 2.998 10 5 EFBERN CO[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cn3)cccc21 ZINC000547744322 318036832 /nfs/dbraw/zinc/03/68/32/318036832.db2.gz JYBCMGXZBDOIJA-AWEZNQCLSA-N 0 0 329.312 2.712 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548092407 318072388 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EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000549209348 318169307 /nfs/dbraw/zinc/16/93/07/318169307.db2.gz LMJAIGIAIIUHAW-ONGXEEELSA-N 0 0 346.355 2.916 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000549605676 318178263 /nfs/dbraw/zinc/17/82/63/318178263.db2.gz PYHZADVWDXHSCZ-KBPBESRZSA-N 0 0 341.367 2.722 10 5 EFBERN CCCN(C)S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551474613 318208531 /nfs/dbraw/zinc/20/85/31/318208531.db2.gz BTFQUUJGGAUUDC-UHFFFAOYSA-N 0 0 329.422 2.891 10 5 EFBERN C[C@@H](Cn1ncc2ccccc21)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000551559554 318210159 /nfs/dbraw/zinc/21/01/59/318210159.db2.gz BCQIYKOJTZRTSQ-ZDUSSCGKSA-N 0 0 338.367 2.897 10 5 EFBERN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccn(C)n1 ZINC000552786813 318263384 /nfs/dbraw/zinc/26/33/84/318263384.db2.gz ATZRMCLLPVSKQL-UHFFFAOYSA-N 0 0 326.150 2.978 10 5 EFBERN CNc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000552963268 318267096 /nfs/dbraw/zinc/26/70/96/318267096.db2.gz CIHQYRBPYZGALV-GXTWGEPZSA-N 0 0 325.315 2.754 10 5 EFBERN COC(=O)c1cc(C)nc(Oc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000553191798 318274033 /nfs/dbraw/zinc/27/40/33/318274033.db2.gz MOHMENWBXMMLCF-UHFFFAOYSA-N 0 0 340.295 2.820 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](O)Cc1ccccc1 ZINC000553366733 318280666 /nfs/dbraw/zinc/28/06/66/318280666.db2.gz FLUGPFLSAWQTFD-AWEZNQCLSA-N 0 0 344.367 2.705 10 5 EFBERN CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(F)(F)F ZINC000553590782 318288372 /nfs/dbraw/zinc/28/83/72/318288372.db2.gz LRKGOIOGSKYDRP-UHFFFAOYSA-N 0 0 330.266 2.666 10 5 EFBERN Cc1nc([C@](C)(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000554495201 318316728 /nfs/dbraw/zinc/31/67/28/318316728.db2.gz SUMAHDITQYXCBU-BMLIUANNSA-N 0 0 344.371 2.831 10 5 EFBERN Cc1nc([C@](C)(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000554495203 318316770 /nfs/dbraw/zinc/31/67/70/318316770.db2.gz SUMAHDITQYXCBU-DYZYQPBXSA-N 0 0 344.371 2.831 10 5 EFBERN CC1(C)SC[C@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554702330 318333221 /nfs/dbraw/zinc/33/32/21/318333221.db2.gz YFKGWBUUCBBXNQ-CQSZACIVSA-N 0 0 348.428 2.812 10 5 EFBERN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1c[nH]nc1[N+](=O)[O-] ZINC000554863892 318338547 /nfs/dbraw/zinc/33/85/47/318338547.db2.gz PTYIDVNBEUDBAV-NSHDSACASA-N 0 0 336.735 2.615 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](OC(F)F)C1 ZINC000555219185 318349646 /nfs/dbraw/zinc/34/96/46/318349646.db2.gz NVDDNXCOIKVGIX-NSHDSACASA-N 0 0 328.315 2.974 10 5 EFBERN O=C(c1c[nH]nc1[N+](=O)[O-])N(CCC(F)(F)F)Cc1ccccc1 ZINC000555308837 318352598 /nfs/dbraw/zinc/35/25/98/318352598.db2.gz ZPEKYTLZHFOXEC-UHFFFAOYSA-N 0 0 342.277 2.913 10 5 EFBERN C[C@H](C(=O)Nc1n[nH]c2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000555748221 318367948 /nfs/dbraw/zinc/36/79/48/318367948.db2.gz NCQOWRPXRVYTJU-VIFPVBQESA-N 0 0 328.303 2.774 10 5 EFBERN CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(F)cc1C ZINC000556477877 318391427 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10 5 EFBERN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(C(F)F)CCCC1 ZINC000562327266 318635259 /nfs/dbraw/zinc/63/52/59/318635259.db2.gz HKDHUPCHYXZJOJ-UHFFFAOYSA-N 0 0 325.315 2.700 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000563193851 318751771 /nfs/dbraw/zinc/75/17/71/318751771.db2.gz PDBHDCMUGRHOTR-BXKDBHETSA-N 0 0 342.779 2.956 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000563375767 318776278 /nfs/dbraw/zinc/77/62/78/318776278.db2.gz XIYNVBNNLAZKBA-CYBMUJFWSA-N 0 0 346.774 2.524 10 5 EFBERN CC1(C)CN(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000563733806 318813066 /nfs/dbraw/zinc/81/30/66/318813066.db2.gz PNPNWPFBLALMDJ-UHFFFAOYSA-N 0 0 342.193 2.638 10 5 EFBERN O=C1CCCCN1CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000564079901 318840721 /nfs/dbraw/zinc/84/07/21/318840721.db2.gz PZWWQWRJLBNHKD-UHFFFAOYSA-N 0 0 332.404 2.683 10 5 EFBERN CC(C)OCCCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564145292 318843759 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CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000566919974 319122730 /nfs/dbraw/zinc/12/27/30/319122730.db2.gz AIHGJLGAFXUMSY-UKRRQHHQSA-N 0 0 349.431 2.722 10 5 EFBERN COCC1(CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000567113100 319140255 /nfs/dbraw/zinc/14/02/55/319140255.db2.gz QNJJCULHKLRXSO-UHFFFAOYSA-N 0 0 344.371 2.531 10 5 EFBERN CCSc1nccnc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567327720 319160292 /nfs/dbraw/zinc/16/02/92/319160292.db2.gz JCPDBUKFEBXJEN-UHFFFAOYSA-N 0 0 344.396 2.695 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cn2ccccc2n1 ZINC000567391653 319167408 /nfs/dbraw/zinc/16/74/08/319167408.db2.gz NZWXXQZTKVMICN-UHFFFAOYSA-N 0 0 349.350 2.696 10 5 EFBERN COCC1(CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000567759126 319208824 /nfs/dbraw/zinc/20/88/24/319208824.db2.gz NQRRZEHKPRUXFO-UHFFFAOYSA-N 0 0 335.404 2.595 10 5 EFBERN O=C(NC[C@@H]1CC2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567935753 319227837 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CCc1ccc(C(=O)N2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000576586026 320030275 /nfs/dbraw/zinc/03/02/75/320030275.db2.gz LCUWFNQMSJKDAQ-INIZCTEOSA-N 0 0 336.413 2.505 10 5 EFBERN CNc1c(C(=O)N2CC[C@H](c3cc(C)ccn3)C2)cccc1[N+](=O)[O-] ZINC000576768260 320047359 /nfs/dbraw/zinc/04/73/59/320047359.db2.gz ZAABLNFCNQOJFS-ZDUSSCGKSA-N 0 0 340.383 2.970 10 5 EFBERN COc1c(C(=O)N2CCC(C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000576919045 320060368 /nfs/dbraw/zinc/06/03/68/320060368.db2.gz DTAWNMVSGJDMNC-UHFFFAOYSA-N 0 0 348.399 2.882 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1nn(C)c2c1CCCC2 ZINC000577200760 320088234 /nfs/dbraw/zinc/08/82/34/320088234.db2.gz SNHCMWSBMAEWFK-NSHDSACASA-N 0 0 340.383 2.799 10 5 EFBERN Cc1cnn([C@H]2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)c1 ZINC000577217503 320089475 /nfs/dbraw/zinc/08/94/75/320089475.db2.gz GTFWKSKTJPQZNA-AWEZNQCLSA-N 0 0 327.388 2.825 10 5 EFBERN O=c1c2cccc([N+](=O)[O-])c2ccn1Cc1nc(C2CCCC2)no1 ZINC000577394474 320107244 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CNc1ccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000577993070 320162438 /nfs/dbraw/zinc/16/24/38/320162438.db2.gz MFJBFQXZLMEGMY-ZDUSSCGKSA-N 0 0 345.330 2.509 10 5 EFBERN Cc1cccc(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)n1 ZINC000578453222 320207974 /nfs/dbraw/zinc/20/79/74/320207974.db2.gz KBSCMSPFZFHRLN-UHFFFAOYSA-N 0 0 346.362 2.886 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCSC1 ZINC000578465546 320208974 /nfs/dbraw/zinc/20/89/74/320208974.db2.gz PARFNNPXBYQNHE-LLVKDONJSA-N 0 0 348.428 2.671 10 5 EFBERN Cc1ccnc([C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)c1 ZINC000578764537 320238023 /nfs/dbraw/zinc/23/80/23/320238023.db2.gz LVLNHHJZIRROKQ-NSHDSACASA-N 0 0 344.346 2.649 10 5 EFBERN Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cccc1N(C)C ZINC000181156469 323228532 /nfs/dbraw/zinc/22/85/32/323228532.db2.gz VABZDVBOTIXOBC-UHFFFAOYSA-N 0 0 341.414 2.832 10 5 EFBERN CNc1ncnc2c1cnn2Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000181835184 323252286 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CC[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000068184204 472145434 /nfs/dbraw/zinc/14/54/34/472145434.db2.gz KAHSOQZGNRJVPW-OAHLLOKOSA-N 0 0 347.371 2.888 10 5 EFBERN C[C@H]1C[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000075523879 472150376 /nfs/dbraw/zinc/15/03/76/472150376.db2.gz BJIISICMWQOUPV-KWQFWETISA-N 0 0 331.294 2.940 10 5 EFBERN C[C@@H](Cc1ccccc1F)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068226201 472153701 /nfs/dbraw/zinc/15/37/01/472153701.db2.gz DKIMGOILHMNRGD-LBPRGKRZSA-N 0 0 331.347 2.893 10 5 EFBERN O=C(Nc1nc2c(s1)COCC2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000075578574 472160601 /nfs/dbraw/zinc/16/06/01/472160601.db2.gz VUFFGEOGXZYULF-UHFFFAOYSA-N 0 0 344.352 2.858 10 5 EFBERN CN(CCc1ccc(F)cc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000055371516 472174330 /nfs/dbraw/zinc/17/43/30/472174330.db2.gz VVWGTCQEFOKJHN-UHFFFAOYSA-N 0 0 342.330 2.925 10 5 EFBERN Cc1cc(C(=O)NCc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000075710598 472184883 /nfs/dbraw/zinc/18/48/83/472184883.db2.gz NEVHYQUAWCVXDE-UHFFFAOYSA-N 0 0 342.277 2.592 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000027597202 472186640 /nfs/dbraw/zinc/18/66/40/472186640.db2.gz IDODFFNIZHMNAA-ZDUSSCGKSA-N 0 0 341.371 2.548 10 5 EFBERN CCOc1ccccc1-c1csc(NC(=O)[C@H]2CC2[N+](=O)[O-])n1 ZINC000055590753 472209691 /nfs/dbraw/zinc/20/96/91/472209691.db2.gz NHMMUZKIVGEEHB-CMPLNLGQSA-N 0 0 333.369 2.813 10 5 EFBERN COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000055602091 472211017 /nfs/dbraw/zinc/21/10/17/472211017.db2.gz QMMRJRPFADAVMJ-UHFFFAOYSA-N 0 0 345.355 2.884 10 5 EFBERN CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000055627583 472214852 /nfs/dbraw/zinc/21/48/52/472214852.db2.gz ATSVPJNTEUVVCK-UHFFFAOYSA-N 0 0 326.352 2.599 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)c2c(C)c(C)n[nH]c2=O)cc1[N+](=O)[O-] ZINC000084808596 472219677 /nfs/dbraw/zinc/21/96/77/472219677.db2.gz RSKPAOXINCDBEZ-NSHDSACASA-N 0 0 331.328 2.934 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)CCNC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000084809078 472219923 /nfs/dbraw/zinc/21/99/23/472219923.db2.gz UKPDSCOJXNTOQZ-LBPRGKRZSA-N 0 0 346.339 2.921 10 5 EFBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000068769695 472238712 /nfs/dbraw/zinc/23/87/12/472238712.db2.gz PNRAURKGTDOMDT-AWEZNQCLSA-N 0 0 342.311 2.720 10 5 EFBERN CCC(=O)c1ccc(OCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000055797458 472238950 /nfs/dbraw/zinc/23/89/50/472238950.db2.gz BFYPQZWNXXNIJD-UHFFFAOYSA-N 0 0 342.351 2.883 10 5 EFBERN COc1cc(OCC(=O)N[C@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000068810459 472248538 /nfs/dbraw/zinc/24/85/38/472248538.db2.gz NDIOOHDXMHABCV-GJZGRUSLSA-N 0 0 342.351 2.655 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](C(=O)N(C)C)C1 ZINC000085620278 472260902 /nfs/dbraw/zinc/26/09/02/472260902.db2.gz LDKNCWGBZPCOKY-ZDUSSCGKSA-N 0 0 348.403 2.544 10 5 EFBERN Cc1c(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000029253155 472263601 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Cc1csc([C@H](C)NC(=O)NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000069322807 472320720 /nfs/dbraw/zinc/32/07/20/472320720.db2.gz BYZLWKDVNNRKOO-NSHDSACASA-N 0 0 349.416 2.832 10 5 EFBERN CNc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1[N+](=O)[O-] ZINC000044625907 472323719 /nfs/dbraw/zinc/32/37/19/472323719.db2.gz OSPMVVLOEAWIPU-UHFFFAOYSA-N 0 0 343.339 2.984 10 5 EFBERN CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cn1 ZINC000044639193 472325909 /nfs/dbraw/zinc/32/59/09/472325909.db2.gz PVYXVUYLQDGWCA-UHFFFAOYSA-N 0 0 329.360 2.792 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000044679692 472331025 /nfs/dbraw/zinc/33/10/25/472331025.db2.gz JQVNUUMWSGTWID-OAHLLOKOSA-N 0 0 334.763 2.712 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC(C)C ZINC000030493978 472334083 /nfs/dbraw/zinc/33/40/83/472334083.db2.gz AWXDDZYKSOLGCV-LLVKDONJSA-N 0 0 330.406 2.706 10 5 EFBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000087562735 472342647 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Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000088826533 472387447 /nfs/dbraw/zinc/38/74/47/472387447.db2.gz IVUUSHXOLLDSAX-NSHDSACASA-N 0 0 345.330 2.858 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000088826531 472387586 /nfs/dbraw/zinc/38/75/86/472387586.db2.gz IVUUSHXOLLDSAX-LLVKDONJSA-N 0 0 345.330 2.858 10 5 EFBERN O=C1c2ccccc2C(=O)N1COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000031707995 472389198 /nfs/dbraw/zinc/38/91/98/472389198.db2.gz DWTUQIBSLYBZDB-UHFFFAOYSA-N 0 0 332.699 2.881 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2cccc3ccccc32)c1=O ZINC000096778119 472399897 /nfs/dbraw/zinc/39/98/97/472399897.db2.gz BNDPCDIDIXHICH-UHFFFAOYSA-N 0 0 337.335 2.857 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOc1ccc(Cl)cn1 ZINC000154214730 472402088 /nfs/dbraw/zinc/40/20/88/472402088.db2.gz QJIQIOABDUQLIY-UHFFFAOYSA-N 0 0 335.747 2.760 10 5 EFBERN COC(=O)/C=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000096988769 472404516 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Cc1csc([C@@H]2COCCN2c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000097102774 472447153 /nfs/dbraw/zinc/44/71/53/472447153.db2.gz FZPJCSBORPUYHT-NSHDSACASA-N 0 0 340.792 2.986 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnn1C1CCCCC1 ZINC000097113451 472454589 /nfs/dbraw/zinc/45/45/89/472454589.db2.gz NPTPNQUXISXLFQ-UHFFFAOYSA-N 0 0 330.348 2.526 10 5 EFBERN CCn1nc(C)cc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154662456 472459228 /nfs/dbraw/zinc/45/92/28/472459228.db2.gz XMCSBVWHJCXQRP-UHFFFAOYSA-N 0 0 328.372 2.924 10 5 EFBERN Cc1cc(C)n(CC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)n1 ZINC000097142407 472461854 /nfs/dbraw/zinc/46/18/54/472461854.db2.gz GLOIYTUJVUZDCO-UHFFFAOYSA-N 0 0 339.355 2.903 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000045807287 472466447 /nfs/dbraw/zinc/46/64/47/472466447.db2.gz LBPMOBATRPQFAR-YPMHNXCESA-N 0 0 342.417 2.803 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000045807292 472466764 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CCCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](CC)c1ccccc1 ZINC000114645957 473488920 /nfs/dbraw/zinc/48/89/20/473488920.db2.gz VBCKKFIETWFDMR-OAHLLOKOSA-N 0 0 345.403 2.966 10 5 EFBERN CSCCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126118344 473490204 /nfs/dbraw/zinc/49/02/04/473490204.db2.gz RGCCUYZYVORZDW-UHFFFAOYSA-N 0 0 334.401 2.654 10 5 EFBERN O=C([O-])[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000164617548 473494382 /nfs/dbraw/zinc/49/43/82/473494382.db2.gz AMJRFZREVAATOY-CYBMUJFWSA-N 0 0 345.355 2.589 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000185730799 473500152 /nfs/dbraw/zinc/50/01/52/473500152.db2.gz DVSUWZYOWHDENC-GJZGRUSLSA-N 0 0 336.344 2.568 10 5 EFBERN COc1cc(F)ccc1N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000126242535 473501501 /nfs/dbraw/zinc/50/15/01/473501501.db2.gz DEVDBPWFRXDZDD-UHFFFAOYSA-N 0 0 346.362 2.773 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C2OCCO2)CC1 ZINC000185744074 473502853 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C[C@@H](COCc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000179317736 473672992 /nfs/dbraw/zinc/67/29/92/473672992.db2.gz UVMPCOOXJLYHEE-LBPRGKRZSA-N 0 0 327.344 2.655 10 5 EFBERN CCN(CC(F)F)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000186446644 473675382 /nfs/dbraw/zinc/67/53/82/473675382.db2.gz LTMMVVQZRHZUGB-UHFFFAOYSA-N 0 0 342.751 2.832 10 5 EFBERN CNC(=O)c1ccc(N[C@@H](C)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC000172780794 473683634 /nfs/dbraw/zinc/68/36/34/473683634.db2.gz ZRMKIOPYWFXWQZ-ZDUSSCGKSA-N 0 0 343.383 2.972 10 5 EFBERN CSc1cccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000186516355 473684918 /nfs/dbraw/zinc/68/49/18/473684918.db2.gz DIOAWYYFGBNWRS-NSHDSACASA-N 0 0 346.412 2.680 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3ccccn3)CC2)c1 ZINC000172800265 473686590 /nfs/dbraw/zinc/68/65/90/473686590.db2.gz AEIVVVQYHHDOPG-UHFFFAOYSA-N 0 0 340.383 2.697 10 5 EFBERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000179551449 473694194 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EFBERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)c1 ZINC000186743990 473747859 /nfs/dbraw/zinc/74/78/59/473747859.db2.gz XAQVPFBBFUXNCV-CYBMUJFWSA-N 0 0 340.383 2.819 10 5 EFBERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274195736 473758628 /nfs/dbraw/zinc/75/86/28/473758628.db2.gz NBVAWIODPJYOHW-ABAIWWIYSA-N 0 0 328.372 2.772 10 5 EFBERN CCC1(CC)CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[S@]1=O ZINC000186805575 473759800 /nfs/dbraw/zinc/75/98/00/473759800.db2.gz VNGYOIZJNGAIEL-HSZRJFAPSA-N 0 0 338.429 2.667 10 5 EFBERN CCN(C)C(=O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000186818514 473763268 /nfs/dbraw/zinc/76/32/68/473763268.db2.gz XTXJBIWKGZCUJZ-GOSISDBHSA-N 0 0 327.384 2.752 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ccccc1C ZINC000193055853 473768208 /nfs/dbraw/zinc/76/82/08/473768208.db2.gz OMLCCQOLLCXAIQ-UHFFFAOYSA-N 0 0 327.340 2.580 10 5 EFBERN CC(=O)c1cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000287828815 473771166 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CC[C@@H](NC(=O)N1CC[C@@H](n2cccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000291860900 474723049 /nfs/dbraw/zinc/72/30/49/474723049.db2.gz UXTUGRNPQUCABQ-HZPDHXFCSA-N 0 0 343.387 2.899 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000340859899 474725735 /nfs/dbraw/zinc/72/57/35/474725735.db2.gz RNUSXTHMFHUJRO-ZDUSSCGKSA-N 0 0 332.408 2.866 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000337154544 474743418 /nfs/dbraw/zinc/74/34/18/474743418.db2.gz OBJDPOOQAYTCML-UHFFFAOYSA-N 0 0 325.324 2.892 10 5 EFBERN COC(=O)c1cc(N2CCC(c3ncc[nH]3)CC2)cc(C)c1[N+](=O)[O-] ZINC000268009700 474750660 /nfs/dbraw/zinc/75/06/60/474750660.db2.gz UQWMMLQZMFBJJA-UHFFFAOYSA-N 0 0 344.371 2.797 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2sccc2C(=O)C(C)(C)C)n1 ZINC000253425550 474751880 /nfs/dbraw/zinc/75/18/80/474751880.db2.gz FUAUGPKQYQAVHE-UHFFFAOYSA-N 0 0 336.373 2.871 10 5 EFBERN O=C(NC[C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291919431 474752194 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/nfs/dbraw/zinc/83/43/62/474834362.db2.gz YMVPRQHEGIVJOE-GZMMTYOYSA-N 0 0 332.278 2.768 10 5 EFBERN COc1ccncc1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000293147112 474839652 /nfs/dbraw/zinc/83/96/52/474839652.db2.gz WPRCXBMRPFQQJZ-NSHDSACASA-N 0 0 330.344 2.559 10 5 EFBERN CC(C)(C)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1O ZINC000273321633 474840991 /nfs/dbraw/zinc/84/09/91/474840991.db2.gz PKNARFJYMWZXHG-LRDDRELGSA-N 0 0 347.415 2.713 10 5 EFBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000273320120 474841954 /nfs/dbraw/zinc/84/19/54/474841954.db2.gz KKLJRXLLBABYEQ-GDXASINISA-N 0 0 326.356 2.915 10 5 EFBERN CC(C)(C)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1O ZINC000273321628 474841974 /nfs/dbraw/zinc/84/19/74/474841974.db2.gz PKNARFJYMWZXHG-BLLLJJGKSA-N 0 0 347.415 2.713 10 5 EFBERN COc1ccc(S(=O)(=O)NC2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000339020792 474842716 /nfs/dbraw/zinc/84/27/16/474842716.db2.gz AOMCEYHILKEASG-UHFFFAOYSA-N 0 0 342.417 2.706 10 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/nfs/dbraw/zinc/90/88/98/474908898.db2.gz ZAJSFIYOXMKUTG-ZDUSSCGKSA-N 0 0 332.335 2.583 10 5 EFBERN CCCC(=O)N[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255887156 474913265 /nfs/dbraw/zinc/91/32/65/474913265.db2.gz NLBYNORJNLAKTM-MEMKZHQFSA-N 0 0 331.416 2.989 10 5 EFBERN CC[C@H](NC(=O)c1ncn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000292239987 474919920 /nfs/dbraw/zinc/91/99/20/474919920.db2.gz UVEFXZMEHVYLMD-ZDUSSCGKSA-N 0 0 331.376 2.822 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285271419 474955072 /nfs/dbraw/zinc/95/50/72/474955072.db2.gz JOPUOFIXOCBXDQ-OSQNNJELSA-N 0 0 340.326 2.647 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccs3)C2)c2nonc21 ZINC000268392484 474955186 /nfs/dbraw/zinc/95/51/86/474955186.db2.gz MRNGQZIZVHWUMK-LLVKDONJSA-N 0 0 332.341 2.770 10 5 EFBERN O=C(COc1ccc(O)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345176533 474964465 /nfs/dbraw/zinc/96/44/65/474964465.db2.gz YQUCFAIKAMSBRP-UHFFFAOYSA-N 0 0 342.351 2.870 10 5 EFBERN Cc1c(Br)c(NC[C@H](O)C(C)(C)C)ncc1[N+](=O)[O-] ZINC000324638322 474973035 /nfs/dbraw/zinc/97/30/35/474973035.db2.gz WIELFDIUVBDHPG-VIFPVBQESA-N 0 0 332.198 2.880 10 5 EFBERN CCCCN1CCc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000268430692 474974115 /nfs/dbraw/zinc/97/41/15/474974115.db2.gz BGFQWWVAUYIWIT-UHFFFAOYSA-N 0 0 343.387 2.593 10 5 EFBERN CO[C@@H](C)c1cccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000339151890 474979249 /nfs/dbraw/zinc/97/92/49/474979249.db2.gz YZWMTQWVIVFQHG-NSHDSACASA-N 0 0 332.360 2.836 10 5 EFBERN CCNC(=O)C[C@H]1CCCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285357179 474985857 /nfs/dbraw/zinc/98/58/57/474985857.db2.gz QHGVKIDBCKCUJI-LLVKDONJSA-N 0 0 341.358 2.754 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261598779 474988713 /nfs/dbraw/zinc/98/87/13/474988713.db2.gz ANGYXYXFAWFQRF-KRWDZBQOSA-N 0 0 325.368 2.520 10 5 EFBERN COC(=O)c1cc(NCCCn2ccnc2C)cc(C)c1[N+](=O)[O-] ZINC000268492350 475012554 /nfs/dbraw/zinc/01/25/54/475012554.db2.gz PASBPHHHWJUQAV-UHFFFAOYSA-N 0 0 332.360 2.697 10 5 EFBERN Cc1cnc(CS(=O)(=O)[C@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000345242665 475022382 /nfs/dbraw/zinc/02/23/82/475022382.db2.gz VYAACFWLXPPWDW-GFCCVEGCSA-N 0 0 335.385 2.678 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292433463 475023958 /nfs/dbraw/zinc/02/39/58/475023958.db2.gz WGBDTHDHKKGXON-OLZOCXBDSA-N 0 0 346.355 2.569 10 5 EFBERN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(OC)c(OC)c1 ZINC000339195851 475028038 /nfs/dbraw/zinc/02/80/38/475028038.db2.gz NVUNIQJSXMUAOF-UHFFFAOYSA-N 0 0 345.355 2.982 10 5 EFBERN C[C@]1(c2ccsc2)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000328594274 475035020 /nfs/dbraw/zinc/03/50/20/475035020.db2.gz NURUKMILUOGQSD-MRXNPFEDSA-N 0 0 330.365 2.873 10 5 EFBERN CN(CCC[N@H+](C)Cc1ccco1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339202779 475036094 /nfs/dbraw/zinc/03/60/94/475036094.db2.gz ZVHSZHNJZZFYSK-UHFFFAOYSA-N 0 0 333.388 2.847 10 5 EFBERN Cc1ccc(S(=O)(=O)N(CC(F)F)CC2CCC2)cc1[N+](=O)[O-] ZINC000341461726 475058810 /nfs/dbraw/zinc/05/88/10/475058810.db2.gz UAYNPUFGTOMPGY-UHFFFAOYSA-N 0 0 348.371 2.959 10 5 EFBERN C[C@H](O)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273811859 475062840 /nfs/dbraw/zinc/06/28/40/475062840.db2.gz AWQGPEQSYPRYHZ-NSHDSACASA-N 0 0 338.379 2.631 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(NC(C)(C)C)cn3)no2)n1 ZINC000273818982 475063580 /nfs/dbraw/zinc/06/35/80/475063580.db2.gz CLGAAOIJPKLPPA-UHFFFAOYSA-N 0 0 343.347 2.651 10 5 EFBERN O=[N+]([O-])c1cc(-c2nc(-c3ccon3)no2)ccc1N1CCCC1 ZINC000273851752 475082891 /nfs/dbraw/zinc/08/28/91/475082891.db2.gz GDBDMWQLUFTHRN-UHFFFAOYSA-N 0 0 327.300 2.900 10 5 EFBERN C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281151019 475090992 /nfs/dbraw/zinc/09/09/92/475090992.db2.gz HMIRHCOBPOMJPX-CABZTGNLSA-N 0 0 336.369 2.604 10 5 EFBERN CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000339261464 475095514 /nfs/dbraw/zinc/09/55/14/475095514.db2.gz FDQAPGCTZOLMTD-UHFFFAOYSA-N 0 0 337.420 2.740 10 5 EFBERN C[C@H](c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1)C1CC1 ZINC000273887894 475102291 /nfs/dbraw/zinc/10/22/91/475102291.db2.gz FXXDYWCCALJZSK-QMMMGPOBSA-N 0 0 348.384 2.883 10 5 EFBERN Cc1sc(C(=O)N2CC[C@H](OCc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000268987121 475113603 /nfs/dbraw/zinc/11/36/03/475113603.db2.gz CWNOAELCTRMUJZ-ZDUSSCGKSA-N 0 0 347.396 2.791 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C1)CCCCC2 ZINC000273923252 475120609 /nfs/dbraw/zinc/12/06/09/475120609.db2.gz JTKPPVIUWOLQCY-UHFFFAOYSA-N 0 0 340.401 2.558 10 5 EFBERN COC(=O)CCN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000273934156 475125503 /nfs/dbraw/zinc/12/55/03/475125503.db2.gz CLVOSGKWBHYKPX-UHFFFAOYSA-N 0 0 342.779 2.970 10 5 EFBERN Cc1cc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc(C)c1O ZINC000295950446 475140377 /nfs/dbraw/zinc/14/03/77/475140377.db2.gz HKKQWYDIBMPZKC-UHFFFAOYSA-N 0 0 342.399 2.634 10 5 EFBERN COc1ncc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000341610581 475182651 /nfs/dbraw/zinc/18/26/51/475182651.db2.gz UEUCJCCGRFUZTA-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN Cc1sc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000296062418 475183807 /nfs/dbraw/zinc/18/38/07/475183807.db2.gz ZYQGMVLDZDVLMM-GFCCVEGCSA-N 0 0 334.401 2.922 10 5 EFBERN Cc1sc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000296062422 475184052 /nfs/dbraw/zinc/18/40/52/475184052.db2.gz ZYQGMVLDZDVLMM-LBPRGKRZSA-N 0 0 334.401 2.922 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NCC(F)(F)F)n1 ZINC000345453822 475201023 /nfs/dbraw/zinc/20/10/23/475201023.db2.gz UPDDGJRYGCPWIG-UHFFFAOYSA-N 0 0 343.265 2.555 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(O)c1 ZINC000337657696 475217377 /nfs/dbraw/zinc/21/73/77/475217377.db2.gz OHESAXPXTQEKGU-UHFFFAOYSA-N 0 0 332.360 2.823 10 5 EFBERN CCc1n[nH]c(C(=O)NCCc2c(C)oc3ccccc32)c1[N+](=O)[O-] ZINC000345493090 475219569 /nfs/dbraw/zinc/21/95/69/475219569.db2.gz VKOHCHFTDJABJF-UHFFFAOYSA-N 0 0 342.355 2.907 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC(C)(F)F ZINC000296206000 475223145 /nfs/dbraw/zinc/22/31/45/475223145.db2.gz DVSLPSHQAGGJKW-UHFFFAOYSA-N 0 0 331.319 2.838 10 5 EFBERN O=C(NCC[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000361163431 475234635 /nfs/dbraw/zinc/23/46/35/475234635.db2.gz KPCGTXKAWHKAOL-AWEZNQCLSA-N 0 0 328.324 2.555 10 5 EFBERN Cc1cccc(C(=O)NCC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000361164966 475236403 /nfs/dbraw/zinc/23/64/03/475236403.db2.gz HQHUAJFORKNQCM-ZDUSSCGKSA-N 0 0 342.351 2.863 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000361167680 475238861 /nfs/dbraw/zinc/23/88/61/475238861.db2.gz QPELTFBXHKWQAJ-CQSZACIVSA-N 0 0 342.351 2.863 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000361167332 475238935 /nfs/dbraw/zinc/23/89/35/475238935.db2.gz QEEBLMNUZYQWID-AWEZNQCLSA-N 0 0 342.351 2.863 10 5 EFBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cc[nH]n1 ZINC000357893868 475239595 /nfs/dbraw/zinc/23/95/95/475239595.db2.gz OYJGFAYSOZOAPS-JTQLQIEISA-N 0 0 328.332 2.561 10 5 EFBERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000337695508 475249035 /nfs/dbraw/zinc/24/90/35/475249035.db2.gz SCGUBXZUXLFSHS-UHFFFAOYSA-N 0 0 344.302 2.690 10 5 EFBERN CC(=O)c1cnc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s1 ZINC000345536340 475249973 /nfs/dbraw/zinc/24/99/73/475249973.db2.gz ILLSDTUWFNZFIM-UHFFFAOYSA-N 0 0 330.325 2.988 10 5 EFBERN CCc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000341721861 475250888 /nfs/dbraw/zinc/25/08/88/475250888.db2.gz AYKOBUDYGGEIIR-UHFFFAOYSA-N 0 0 339.149 2.895 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccccc3)s2)n1 ZINC000357909009 475252729 /nfs/dbraw/zinc/25/27/29/475252729.db2.gz KLHOJSWLXJRXOV-UHFFFAOYSA-N 0 0 343.368 2.628 10 5 EFBERN CCSc1ccc([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000357913250 475256402 /nfs/dbraw/zinc/25/64/02/475256402.db2.gz REOWIWVDJUTNGY-JTQLQIEISA-N 0 0 334.401 2.931 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCCSc2ccc(Cl)cc2)n1 ZINC000345555958 475263794 /nfs/dbraw/zinc/26/37/94/475263794.db2.gz DKLIHABWERCUFW-UHFFFAOYSA-N 0 0 340.792 2.504 10 5 EFBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000347358793 475263721 /nfs/dbraw/zinc/26/37/21/475263721.db2.gz MSUCPFISFWVZMI-UKTHLTGXSA-N 0 0 338.429 2.507 10 5 EFBERN Cc1ccccc1C1=CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000354575510 475264051 /nfs/dbraw/zinc/26/40/51/475264051.db2.gz YZTMIFSUVONPNZ-UHFFFAOYSA-N 0 0 344.392 2.991 10 5 EFBERN CO[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000341740142 475264194 /nfs/dbraw/zinc/26/41/94/475264194.db2.gz VDPLCBLESIWPDF-NSHDSACASA-N 0 0 329.150 2.721 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000337717353 475266861 /nfs/dbraw/zinc/26/68/61/475266861.db2.gz GRWDFTTUAIMCCB-UHFFFAOYSA-N 0 0 331.307 2.777 10 5 EFBERN CNc1c(C(=O)N[C@H](C)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000361204360 475267964 /nfs/dbraw/zinc/26/79/64/475267964.db2.gz UJUPCIBYMXGAGK-CYBMUJFWSA-N 0 0 343.383 2.972 10 5 EFBERN CCc1nc(C(C)(C)NCc2c(F)cc([N+](=O)[O-])cc2F)no1 ZINC000352412834 475268334 /nfs/dbraw/zinc/26/83/34/475268334.db2.gz JHUGPERLBPHZHK-UHFFFAOYSA-N 0 0 326.303 2.843 10 5 EFBERN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361205574 475268696 /nfs/dbraw/zinc/26/86/96/475268696.db2.gz ZTAILSOTHQPVIY-CMPLNLGQSA-N 0 0 342.779 2.653 10 5 EFBERN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361209395 475271190 /nfs/dbraw/zinc/27/11/90/475271190.db2.gz FXSIWOSMXRYHIH-NSHDSACASA-N 0 0 343.177 2.608 10 5 EFBERN CCOC(=O)CC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000345582749 475283968 /nfs/dbraw/zinc/28/39/68/475283968.db2.gz DANOJZHNHNQVGR-UHFFFAOYSA-N 0 0 334.372 2.520 10 5 EFBERN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357953846 475290693 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EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1c(C)nn(C)c1C ZINC000339970653 475651104 /nfs/dbraw/zinc/65/11/04/475651104.db2.gz LAUINAFIGFCAJH-UHFFFAOYSA-N 0 0 346.387 2.695 10 5 EFBERN Cc1sc(C(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000348416994 475653807 /nfs/dbraw/zinc/65/38/07/475653807.db2.gz CBCODEFOWHQULT-HNNXBMFYSA-N 0 0 345.380 2.578 10 5 EFBERN COC(=O)c1cc(C)nc(N(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000339977631 475655094 /nfs/dbraw/zinc/65/50/94/475655094.db2.gz PLBAKYYOWDBKFB-UHFFFAOYSA-N 0 0 333.319 2.860 10 5 EFBERN Cc1c(NC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cccc1[N+](=O)[O-] ZINC000348439052 475666089 /nfs/dbraw/zinc/66/60/89/475666089.db2.gz GQDWUJMHFZRRBU-CYBMUJFWSA-N 0 0 331.332 2.544 10 5 EFBERN CNC(=O)[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000355104983 475670596 /nfs/dbraw/zinc/67/05/96/475670596.db2.gz XKVAEKHTVOQMSS-NSHDSACASA-N 0 0 330.182 2.540 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000353121128 475696634 /nfs/dbraw/zinc/69/66/34/475696634.db2.gz BBDPMRPVRQHKJO-LBPRGKRZSA-N 0 0 348.790 2.920 10 5 EFBERN CCC1(CC)CN(c2c(F)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC000343012339 475697175 /nfs/dbraw/zinc/69/71/75/475697175.db2.gz PBNFKWFXGSJJFA-UHFFFAOYSA-N 0 0 330.381 2.528 10 5 EFBERN COC(=O)c1cncc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000346617471 475703384 /nfs/dbraw/zinc/70/33/84/475703384.db2.gz HIMGWVKKMXMIRP-UHFFFAOYSA-N 0 0 343.339 2.693 10 5 EFBERN O=C(N[C@H](CO)CC1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000338250488 475710909 /nfs/dbraw/zinc/71/09/09/475710909.db2.gz UEGNRDNHVXGTEC-LBPRGKRZSA-N 0 0 331.372 2.747 10 5 EFBERN Cc1nc(CC2CC2)oc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000355174364 475718457 /nfs/dbraw/zinc/71/84/57/475718457.db2.gz HXRPFSPGZSIBQR-UHFFFAOYSA-N 0 0 329.356 2.816 10 5 EFBERN Cc1n[nH]c(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000353152518 475724107 /nfs/dbraw/zinc/72/41/07/475724107.db2.gz OIYFGJOWZIYJFO-LLVKDONJSA-N 0 0 334.763 2.909 10 5 EFBERN CCOc1cc(N[C@@H](CO)C[C@H](O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000343068623 475740527 /nfs/dbraw/zinc/74/05/27/475740527.db2.gz CNYMPEBYJKLMQW-DOMZBBRYSA-N 0 0 326.393 2.563 10 5 EFBERN CN(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000348544377 475744927 /nfs/dbraw/zinc/74/49/27/475744927.db2.gz OPJVGMQADCFDDZ-UHFFFAOYSA-N 0 0 348.746 2.597 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000358543885 475759281 /nfs/dbraw/zinc/75/92/81/475759281.db2.gz UADWLIMPJXBELM-NSHDSACASA-N 0 0 349.364 2.901 10 5 EFBERN O=C(NC[C@H]1CCCCO1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348576326 475768386 /nfs/dbraw/zinc/76/83/86/475768386.db2.gz NQMGXSXZHYCNQM-SECBINFHSA-N 0 0 332.278 2.913 10 5 EFBERN CCNc1ccc(C(=O)Nc2ncc(C(C)=O)s2)cc1[N+](=O)[O-] ZINC000358561575 475772637 /nfs/dbraw/zinc/77/26/37/475772637.db2.gz VUUVDINGOVKWGJ-UHFFFAOYSA-N 0 0 334.357 2.938 10 5 EFBERN Cc1cc(NC(=O)NC[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000338318135 475782756 /nfs/dbraw/zinc/78/27/56/475782756.db2.gz XFMTZUKEUFWKEI-CYBMUJFWSA-N 0 0 343.339 2.865 10 5 EFBERN CCOc1ccccc1N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340150080 475801773 /nfs/dbraw/zinc/80/17/73/475801773.db2.gz PUCMSLVEVQDDFE-UHFFFAOYSA-N 0 0 328.372 2.715 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCCOC3)c(Br)c1 ZINC000343138976 475801908 /nfs/dbraw/zinc/80/19/08/475801908.db2.gz IYYBMYUIIOQTNQ-ZDUSSCGKSA-N 0 0 342.193 2.759 10 5 EFBERN O=[N+]([O-])c1cnccc1NCCOc1ccc(Br)cc1 ZINC000340150794 475803313 /nfs/dbraw/zinc/80/33/13/475803313.db2.gz CTVXKCKOJROORH-UHFFFAOYSA-N 0 0 338.161 2.665 10 5 EFBERN COC(=O)c1cc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2C)no1 ZINC000353254158 475807461 /nfs/dbraw/zinc/80/74/61/475807461.db2.gz VBRBLOFMWVXLMB-UHFFFAOYSA-N 0 0 333.344 2.703 10 5 EFBERN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000338345277 475809180 /nfs/dbraw/zinc/80/91/80/475809180.db2.gz DHAQWDMTWSZPBG-CYBMUJFWSA-N 0 0 345.330 2.742 10 5 EFBERN CC(=O)c1ccc(OC[C@H](O)COc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000340162658 475813505 /nfs/dbraw/zinc/81/35/05/475813505.db2.gz DDZOWVSMECGNCA-HNNXBMFYSA-N 0 0 345.351 2.925 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCCN(c3ccc(F)c(F)c3)CC2)cn1 ZINC000343158233 475816630 /nfs/dbraw/zinc/81/66/30/475816630.db2.gz JKEZOIRJUCBPKR-UHFFFAOYSA-N 0 0 334.326 2.985 10 5 EFBERN COC(=O)CC1(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000338358638 475821982 /nfs/dbraw/zinc/82/19/82/475821982.db2.gz VDWPWCIQNKMXAP-UHFFFAOYSA-N 0 0 335.360 2.901 10 5 EFBERN O=C(NCCC1(F)CCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000358632742 475823127 /nfs/dbraw/zinc/82/31/27/475823127.db2.gz BEQCGMFONAPIFM-UHFFFAOYSA-N 0 0 337.351 2.650 10 5 EFBERN COc1ccc(-c2csc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n2)cc1 ZINC000343166543 475824374 /nfs/dbraw/zinc/82/43/74/475824374.db2.gz XKYQVCDOXXOQSU-UHFFFAOYSA-N 0 0 345.340 2.702 10 5 EFBERN CN(C)c1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338386407 475850936 /nfs/dbraw/zinc/85/09/36/475850936.db2.gz WWAGYQRFRQAWAB-UHFFFAOYSA-N 0 0 343.387 2.762 10 5 EFBERN CCOC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000348760031 475853477 /nfs/dbraw/zinc/85/34/77/475853477.db2.gz DUUKVSXSQAONQQ-UHFFFAOYSA-N 0 0 343.339 2.656 10 5 EFBERN COc1ccccc1[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000358682264 475856250 /nfs/dbraw/zinc/85/62/50/475856250.db2.gz OELPFNXSDQVOSN-NSHDSACASA-N 0 0 329.356 2.553 10 5 EFBERN Cc1cc(Cl)ccc1CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000343221466 475865188 /nfs/dbraw/zinc/86/51/88/475865188.db2.gz BPYYAMQJCBSTDX-UHFFFAOYSA-N 0 0 349.822 2.612 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)C1CCCC1 ZINC000297723804 475867001 /nfs/dbraw/zinc/86/70/01/475867001.db2.gz BOHDWBSYMHBXCX-LBPRGKRZSA-N 0 0 333.388 2.845 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCc1ccsc1 ZINC000297733879 475870001 /nfs/dbraw/zinc/87/00/01/475870001.db2.gz CQWDEFZYDOEADD-UHFFFAOYSA-N 0 0 347.396 2.571 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N(C(C)C)C2COC2)cc1SC ZINC000297763903 475879638 /nfs/dbraw/zinc/87/96/38/475879638.db2.gz MFEIVNFGDYDDKX-UHFFFAOYSA-N 0 0 340.401 2.575 10 5 EFBERN CC(C)(C)[C@@H]1NC(=O)N(CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000348984418 475893301 /nfs/dbraw/zinc/89/33/01/475893301.db2.gz OEHLXIZZPLXVDQ-CQSZACIVSA-N 0 0 344.371 2.585 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1N ZINC000355387459 475893480 /nfs/dbraw/zinc/89/34/80/475893480.db2.gz CRCBKVFPVRGVRF-UHFFFAOYSA-N 0 0 329.312 2.524 10 5 EFBERN CC1(C)CCc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000297841488 475902439 /nfs/dbraw/zinc/90/24/39/475902439.db2.gz RIBLSJRUXBRVHZ-UHFFFAOYSA-N 0 0 341.367 2.515 10 5 EFBERN COC[C@@H]1CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000297867332 475908729 /nfs/dbraw/zinc/90/87/29/475908729.db2.gz UTXROBOGJOIFGW-VIFPVBQESA-N 0 0 344.165 2.610 10 5 EFBERN Cc1nc([C@@](C)(NC(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)no1 ZINC000353372285 475914582 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COc1ncc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1Cl ZINC000346892403 475945061 /nfs/dbraw/zinc/94/50/61/475945061.db2.gz WVBPKPLTTIHRDI-UHFFFAOYSA-N 0 0 347.718 2.688 10 5 EFBERN COc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000340323732 475946725 /nfs/dbraw/zinc/94/67/25/475946725.db2.gz RJAYGXSBHOAMOV-LBPRGKRZSA-N 0 0 329.356 2.893 10 5 EFBERN CC[C@H]1CCN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000297994871 475947369 /nfs/dbraw/zinc/94/73/69/475947369.db2.gz YCCPXXRJNFRTNH-QMMMGPOBSA-N 0 0 330.287 2.829 10 5 EFBERN CC(=O)Nc1ncccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000346902222 475951548 /nfs/dbraw/zinc/95/15/48/475951548.db2.gz UYJVALJTTNMYPZ-UHFFFAOYSA-N 0 0 339.311 2.682 10 5 EFBERN Cc1nc([C@](C)(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)no1 ZINC000353418865 475952919 /nfs/dbraw/zinc/95/29/19/475952919.db2.gz NJZGLNSDIQUKCD-MRXNPFEDSA-N 0 0 330.344 2.650 10 5 EFBERN CC1(C)SC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000338496842 475955668 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C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)n1cccn1 ZINC000347265422 476214941 /nfs/dbraw/zinc/21/49/41/476214941.db2.gz LKUXDCPSUWGSRF-MRVPVSSYSA-N 0 0 339.149 2.754 10 5 EFBERN O=C(Nc1cccc(C2CC2)n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000353724161 476219048 /nfs/dbraw/zinc/21/90/48/476219048.db2.gz LALOFIROPBXGDZ-UHFFFAOYSA-N 0 0 327.296 2.848 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cc(OC)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000338837209 476225750 /nfs/dbraw/zinc/22/57/50/476225750.db2.gz FUJQCMYDRWSASH-IMJJTQAJSA-N 0 0 332.360 2.631 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)[C@@H]1n1cccn1 ZINC000338841173 476227993 /nfs/dbraw/zinc/22/79/93/476227993.db2.gz OWFCUMZIOGRJMZ-UAGQMJEPSA-N 0 0 344.371 2.825 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)[C@@H]1n1cccn1 ZINC000338841171 476228538 /nfs/dbraw/zinc/22/85/38/476228538.db2.gz OWFCUMZIOGRJMZ-OIISXLGYSA-N 0 0 344.371 2.825 10 5 EFBERN COc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)on1 ZINC000347287132 476231789 /nfs/dbraw/zinc/23/17/89/476231789.db2.gz IPMOXUBGELSCTI-UHFFFAOYSA-N 0 0 342.105 2.606 10 5 EFBERN CCOc1ccc(-c2nc(-c3nccc(C)n3)no2)cc1[N+](=O)[O-] ZINC000350535847 476235510 /nfs/dbraw/zinc/23/55/10/476235510.db2.gz AWGGTJZBZKCGOC-UHFFFAOYSA-N 0 0 327.300 2.809 10 5 EFBERN CO[C@H](C)CS(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000340727480 476235974 /nfs/dbraw/zinc/23/59/74/476235974.db2.gz HUFVTXUGROCMAG-SNVBAGLBSA-N 0 0 330.406 2.669 10 5 EFBERN Nc1c(C(=O)NCCc2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000357116708 476243316 /nfs/dbraw/zinc/24/33/16/476243316.db2.gz MLWKTPZLCBZPDO-UHFFFAOYSA-N 0 0 339.273 2.567 10 5 EFBERN C[C@@H]1COCC[C@@H]1c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000350586511 476255699 /nfs/dbraw/zinc/25/56/99/476255699.db2.gz FIWSFDUNIGHJBJ-SCZZXKLOSA-N 0 0 329.316 2.661 10 5 EFBERN C[C@H]1COCC[C@H]1c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000350603970 476263783 /nfs/dbraw/zinc/26/37/83/476263783.db2.gz WFSVRXLEZINQJW-NWDGAFQWSA-N 0 0 332.360 2.754 10 5 EFBERN Cc1ccc(CNc2ncc([N+](=O)[O-])s2)c(OC[C@H]2CCOC2)c1 ZINC000337020830 476267228 /nfs/dbraw/zinc/26/72/28/476267228.db2.gz QYTCQNUICXTAIS-LBPRGKRZSA-N 0 0 349.412 2.809 10 5 EFBERN O=C(c1ccoc1C1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337029858 476272034 /nfs/dbraw/zinc/27/20/34/476272034.db2.gz XPXQPYUUHQXABX-LBPRGKRZSA-N 0 0 342.355 2.787 10 5 EFBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1 ZINC000362502844 476286400 /nfs/dbraw/zinc/28/64/00/476286400.db2.gz PCGGGLWVSAHISU-CYBMUJFWSA-N 0 0 344.289 2.865 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3ccc(O)cc3C2)c1 ZINC000360131068 476292279 /nfs/dbraw/zinc/29/22/79/476292279.db2.gz ZWRDRUUHAWXWQY-UHFFFAOYSA-N 0 0 328.324 2.650 10 5 EFBERN CC[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000357265185 476309475 /nfs/dbraw/zinc/30/94/75/476309475.db2.gz RZVLPHJHESPYLD-JTQLQIEISA-N 0 0 340.343 2.528 10 5 EFBERN COc1cccc([C@@H]2C[C@@H]2c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000350892207 476310644 /nfs/dbraw/zinc/31/06/44/476310644.db2.gz VNKNYQJFZWAFIC-RYUDHWBXSA-N 0 0 341.327 2.658 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@H](COc2ccccc2)C1 ZINC000360589841 476311103 /nfs/dbraw/zinc/31/11/03/476311103.db2.gz XUIIQAZSMWMZSS-ZDUSSCGKSA-N 0 0 348.380 2.576 10 5 EFBERN CC(=O)N1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000353883437 476311512 /nfs/dbraw/zinc/31/15/12/476311512.db2.gz UCEVJWKDLYMDRY-ZDUSSCGKSA-N 0 0 343.383 2.907 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000350911019 476312865 /nfs/dbraw/zinc/31/28/65/476312865.db2.gz POBMOQBEGFIKPW-WCBMZHEXSA-N 0 0 347.281 2.928 10 5 EFBERN C[C@H](Cc1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000357287368 476316900 /nfs/dbraw/zinc/31/69/00/476316900.db2.gz VHQBJAXTYOHLCW-GFCCVEGCSA-N 0 0 340.339 2.534 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000353936902 476330163 /nfs/dbraw/zinc/33/01/63/476330163.db2.gz DHEXCXXFIMVMSM-NSHDSACASA-N 0 0 329.360 2.559 10 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/nfs/dbraw/zinc/35/00/72/476350072.db2.gz QMVLWPOTPDKYQU-UHFFFAOYSA-N 0 0 336.691 2.908 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CCc2ccccc2)n1 ZINC000372853697 476356979 /nfs/dbraw/zinc/35/69/79/476356979.db2.gz ARKOSWBFQOQELC-CQSZACIVSA-N 0 0 328.372 2.566 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1cscn1 ZINC000357397034 476358910 /nfs/dbraw/zinc/35/89/10/476358910.db2.gz GCQACUGHVXYERJ-UHFFFAOYSA-N 0 0 325.777 2.986 10 5 EFBERN CC(=O)c1ccc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)o1 ZINC000362730679 476373710 /nfs/dbraw/zinc/37/37/10/476373710.db2.gz ZQNVHFKMRNHBQF-UHFFFAOYSA-N 0 0 339.307 2.921 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000373154860 476379880 /nfs/dbraw/zinc/37/98/80/476379880.db2.gz QQGXIZPDYGACDI-QGZVFWFLSA-N 0 0 344.415 2.827 10 5 EFBERN COC[C@@H]1CCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000354038980 476383979 /nfs/dbraw/zinc/38/39/79/476383979.db2.gz OWEJKHRUFKRFFW-ZFWWWQNUSA-N 0 0 347.415 2.692 10 5 EFBERN CCCN1C[C@H](c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)CC1=O ZINC000351272285 476389734 /nfs/dbraw/zinc/38/97/34/476389734.db2.gz AZHYTDLUWNMQMI-SNVBAGLBSA-N 0 0 334.307 2.510 10 5 EFBERN CCCN1C[C@H](c2noc(-c3ccc(CC)c([N+](=O)[O-])c3)n2)CC1=O ZINC000351274062 476390491 /nfs/dbraw/zinc/39/04/91/476390491.db2.gz CHJVVYFAQHQEDO-CYBMUJFWSA-N 0 0 344.371 2.933 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C/[C@@H]3CCCO3)n2)c1 ZINC000351287719 476398082 /nfs/dbraw/zinc/39/80/82/476398082.db2.gz IBOZFNJIOQEHRX-PZBABLGHSA-N 0 0 331.328 2.769 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000357465810 476400864 /nfs/dbraw/zinc/40/08/64/476400864.db2.gz KCYCAWPRGIZRLL-BDAKNGLRSA-N 0 0 327.178 2.767 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000362787916 476407892 /nfs/dbraw/zinc/40/78/92/476407892.db2.gz BMMDWMOMECDSEH-CYBMUJFWSA-N 0 0 339.351 2.759 10 5 EFBERN Cc1cc(Cc2noc([C@H](C)c3ccnn3C)n2)ccc1[N+](=O)[O-] ZINC000351317363 476408872 /nfs/dbraw/zinc/40/88/72/476408872.db2.gz CYNJHLLWPRGJGN-LLVKDONJSA-N 0 0 327.344 2.762 10 5 EFBERN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1ccc2c(c1)OCO2 ZINC000360829205 476412596 /nfs/dbraw/zinc/41/25/96/476412596.db2.gz ADBOFPRAWRNJTF-UHFFFAOYSA-N 0 0 339.307 2.917 10 5 EFBERN CCC(=O)c1ccc(N2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000373532417 476413434 /nfs/dbraw/zinc/41/34/34/476413434.db2.gz UWTPMROEXGPWDD-GFCCVEGCSA-N 0 0 329.360 2.690 10 5 EFBERN CCc1cc(NC(=O)[C@H]2CCCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000377491259 476417203 /nfs/dbraw/zinc/41/72/03/476417203.db2.gz SABJGOZUZMLALP-LBPRGKRZSA-N 0 0 343.383 2.883 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc(COC[C@H]2CCOC2)no1 ZINC000351374881 476427718 /nfs/dbraw/zinc/42/77/18/476427718.db2.gz ASCMBZSURJZMRI-JTQLQIEISA-N 0 0 344.327 2.679 10 5 EFBERN COc1ccc(C(=O)Nc2ccc(OCCO)c(C)c2)cc1[N+](=O)[O-] ZINC000360866386 476437782 /nfs/dbraw/zinc/43/77/82/476437782.db2.gz ANPFWJLENCCJDP-UHFFFAOYSA-N 0 0 346.339 2.535 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(COC[C@H]2CCOC2)no1 ZINC000351396626 476438982 /nfs/dbraw/zinc/43/89/82/476438982.db2.gz YFNNQRYXOGVZKR-VIFPVBQESA-N 0 0 339.735 2.851 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(COC[C@@H]2CCOC2)no1 ZINC000351396625 476439501 /nfs/dbraw/zinc/43/95/01/476439501.db2.gz YFNNQRYXOGVZKR-SECBINFHSA-N 0 0 339.735 2.851 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(Cc3cn4c(n3)CCCC4)n2)c1 ZINC000351414211 476447649 /nfs/dbraw/zinc/44/76/49/476447649.db2.gz YCRGAUWBMNYWGP-UHFFFAOYSA-N 0 0 325.328 2.768 10 5 EFBERN CCc1ccc(-c2nc(COC[C@H]3CCOC3)no2)cc1[N+](=O)[O-] ZINC000351420124 476449092 /nfs/dbraw/zinc/44/90/92/476449092.db2.gz UOYNPAJKIBNYFM-NSHDSACASA-N 0 0 333.344 2.760 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1nnc2n1CCCCC2 ZINC000360881796 476450659 /nfs/dbraw/zinc/45/06/59/476450659.db2.gz VEPLTOCIDRQUJI-SNVBAGLBSA-N 0 0 333.396 2.611 10 5 EFBERN CCc1nn(C)c(Sc2n[nH]c(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000360881531 476450972 /nfs/dbraw/zinc/45/09/72/476450972.db2.gz SMEUMCRCFKVHFE-UHFFFAOYSA-N 0 0 330.373 2.827 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357554359 476451236 /nfs/dbraw/zinc/45/12/36/476451236.db2.gz POUFFFMTSASTGW-MRXNPFEDSA-N 0 0 348.378 2.658 10 5 EFBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000360883055 476451856 /nfs/dbraw/zinc/45/18/56/476451856.db2.gz LKNQRTMOPWKBHB-SCZZXKLOSA-N 0 0 331.294 2.980 10 5 EFBERN CC[C@@H](NC(=O)N1CC[C@@H](O)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000354138690 476454413 /nfs/dbraw/zinc/45/44/13/476454413.db2.gz QHTZOLJRVHGFLQ-HUUCEWRRSA-N 0 0 335.404 2.848 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000363611112 476458607 /nfs/dbraw/zinc/45/86/07/476458607.db2.gz YVPWFQZFEHMBNM-UHFFFAOYSA-N 0 0 347.321 2.891 10 5 EFBERN C[C@@H]1CCCc2ncc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)n21 ZINC000351439509 476459541 /nfs/dbraw/zinc/45/95/41/476459541.db2.gz YMCMUXYSLGVNHY-SNVBAGLBSA-N 0 0 340.343 2.724 10 5 EFBERN CC(C)(c1nc(COC[C@H]2CCOC2)no1)c1ccccc1[N+](=O)[O-] ZINC000351443072 476460072 /nfs/dbraw/zinc/46/00/72/476460072.db2.gz MACSHEKCDMGJIX-LBPRGKRZSA-N 0 0 347.371 2.857 10 5 EFBERN CC(C)(c1nc(COC[C@@H]2CCOC2)no1)c1ccccc1[N+](=O)[O-] ZINC000351443071 476460637 /nfs/dbraw/zinc/46/06/37/476460637.db2.gz MACSHEKCDMGJIX-GFCCVEGCSA-N 0 0 347.371 2.857 10 5 EFBERN CCN1C[C@@H](c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)CC1=O ZINC000351448775 476462543 /nfs/dbraw/zinc/46/25/43/476462543.db2.gz VRTIFJGZFLGOJZ-ZJUUUORDSA-N 0 0 348.334 2.605 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCc1ccccn1 ZINC000362909108 476475056 /nfs/dbraw/zinc/47/50/56/476475056.db2.gz ONXXNYSIUGZVFG-UHFFFAOYSA-N 0 0 335.310 2.560 10 5 EFBERN C[C@@H]1COCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000362916115 476479140 /nfs/dbraw/zinc/47/91/40/476479140.db2.gz DXKPDYUIZITPKS-RNCFNFMXSA-N 0 0 346.305 2.902 10 5 EFBERN C[C@H]1COCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000362916116 476479573 /nfs/dbraw/zinc/47/95/73/476479573.db2.gz DXKPDYUIZITPKS-TVQRCGJNSA-N 0 0 346.305 2.902 10 5 EFBERN Cc1cccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000369707656 476487380 /nfs/dbraw/zinc/48/73/80/476487380.db2.gz VIIGCURNCWKMEV-SUNYJGFJSA-N 0 0 348.399 2.702 10 5 EFBERN CC1=C(c2ccco2)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374547373 476487720 /nfs/dbraw/zinc/48/77/20/476487720.db2.gz ATLFTIANMMGFEW-UHFFFAOYSA-N 0 0 327.340 2.971 10 5 EFBERN CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363866185 476502552 /nfs/dbraw/zinc/50/25/52/476502552.db2.gz ZEUFOTQFYIDBRO-UHFFFAOYSA-N 0 0 340.339 2.541 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NC[C@@H](CO)Cc2ccc(F)c(F)c2)n1 ZINC000357650817 476515000 /nfs/dbraw/zinc/51/50/00/476515000.db2.gz UFYFMYOMBLDZCV-LBPRGKRZSA-N 0 0 337.326 2.840 10 5 EFBERN Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000354237003 476529646 /nfs/dbraw/zinc/52/96/46/476529646.db2.gz JOUQKYXTLOSMAJ-ZFWWWQNUSA-N 0 0 344.371 2.746 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000374794093 476532523 /nfs/dbraw/zinc/53/25/23/476532523.db2.gz NTEMMJJQVWRYNH-QGZVFWFLSA-N 0 0 346.362 2.981 10 5 EFBERN Cn1c(C(=O)N2CC(c3nc4ccccc4s3)C2)ccc1[N+](=O)[O-] ZINC000357678140 476533412 /nfs/dbraw/zinc/53/34/12/476533412.db2.gz ZMYYJXOVDSJLIJ-UHFFFAOYSA-N 0 0 342.380 2.783 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cc(C)c(O)c(C)c1 ZINC000357684403 476538133 /nfs/dbraw/zinc/53/81/33/476538133.db2.gz XJTWWKSPZSBIRP-UHFFFAOYSA-N 0 0 343.383 2.931 10 5 EFBERN COC(=O)c1cnc(NCCC[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000357707700 476550745 /nfs/dbraw/zinc/55/07/45/476550745.db2.gz MZARWYDVUALNHR-BXUZGUMPSA-N 0 0 337.376 2.520 10 5 EFBERN COC(=O)c1cnc(NCc2nc3cc(C)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000357712372 476553089 /nfs/dbraw/zinc/55/30/89/476553089.db2.gz WOWDMYFFHVYVLI-UHFFFAOYSA-N 0 0 341.327 2.573 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000354277753 476555650 /nfs/dbraw/zinc/55/56/50/476555650.db2.gz PJORETNZOJJXNA-LBPRGKRZSA-N 0 0 336.369 2.518 10 5 EFBERN COc1cc(C(=O)Nc2ccc(OC)c(CO)c2)cc([N+](=O)[O-])c1C ZINC000357723251 476558799 /nfs/dbraw/zinc/55/87/99/476558799.db2.gz AVPPYRUAHNHDJI-UHFFFAOYSA-N 0 0 346.339 2.665 10 5 EFBERN Cc1ccc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000363101600 476560557 /nfs/dbraw/zinc/56/05/57/476560557.db2.gz BCUFAJIRVQXVGN-MRXNPFEDSA-N 0 0 328.372 2.772 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(n2cncc2C)CC1 ZINC000369868201 476564390 /nfs/dbraw/zinc/56/43/90/476564390.db2.gz PGHYXGJSEQUOFT-UHFFFAOYSA-N 0 0 344.371 2.586 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000361058285 476572204 /nfs/dbraw/zinc/57/22/04/476572204.db2.gz BAQQXPPZLPHIHA-NHYWBVRUSA-N 0 0 330.388 2.948 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC000357743009 476572750 /nfs/dbraw/zinc/57/27/50/476572750.db2.gz GYEGIMTZDPLZAN-MRXNPFEDSA-N 0 0 329.356 2.582 10 5 EFBERN CCCN1C(=O)CCc2cc(Nc3ccncc3[N+](=O)[O-])ccc21 ZINC000361060426 476573511 /nfs/dbraw/zinc/57/35/11/476573511.db2.gz VWQVIVGIBGMPBC-UHFFFAOYSA-N 0 0 326.356 2.845 10 5 EFBERN Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000352238819 476576458 /nfs/dbraw/zinc/57/64/58/476576458.db2.gz QWFXGKYVVZIHLK-UHFFFAOYSA-N 0 0 343.311 2.891 10 5 EFBERN O=[N+]([O-])c1cnccc1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000361072903 476582590 /nfs/dbraw/zinc/58/25/90/476582590.db2.gz HQPDZNQLLBADMW-UHFFFAOYSA-N 0 0 343.318 2.646 10 5 EFBERN Cc1ccc(CNc2ccncc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000361074426 476583717 /nfs/dbraw/zinc/58/37/17/476583717.db2.gz QBIRQRQXGMMHGE-OAHLLOKOSA-N 0 0 343.383 2.890 10 5 EFBERN O=C(NCCC1(F)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357765335 476586684 /nfs/dbraw/zinc/58/66/84/476586684.db2.gz SZHKRDVPKAWBFP-UHFFFAOYSA-N 0 0 343.742 2.585 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000354329964 476590283 /nfs/dbraw/zinc/59/02/83/476590283.db2.gz UVSWYXXJOQCFHS-SNVBAGLBSA-N 0 0 334.294 2.563 10 5 EFBERN CCOc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000357776531 476596154 /nfs/dbraw/zinc/59/61/54/476596154.db2.gz DCLRQMBEWPWIEP-UHFFFAOYSA-N 0 0 332.331 2.992 10 5 EFBERN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000374929713 476599838 /nfs/dbraw/zinc/59/98/38/476599838.db2.gz QCFHXEVURFHSMK-BXUZGUMPSA-N 0 0 344.371 2.560 10 5 EFBERN CCc1noc(COc2ccc(Oc3c([N+](=O)[O-])ncn3C)cc2)n1 ZINC000361100605 476601092 /nfs/dbraw/zinc/60/10/92/476601092.db2.gz YSMAPJPCISYRNQ-UHFFFAOYSA-N 0 0 345.315 2.645 10 5 EFBERN CCOc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000357787051 476605049 /nfs/dbraw/zinc/60/50/49/476605049.db2.gz YLLVYZPZTFKVMT-UHFFFAOYSA-N 0 0 332.331 2.992 10 5 EFBERN Cc1nc([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)no1 ZINC000365534068 476609432 /nfs/dbraw/zinc/60/94/32/476609432.db2.gz CZDOZHFGXNQHHG-AWEZNQCLSA-N 0 0 330.344 2.583 10 5 EFBERN NS(=O)(=O)c1cc(N[C@@H]2C[C@@H]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000361116588 476612647 /nfs/dbraw/zinc/61/26/47/476612647.db2.gz DYLLVEKYAPUPLE-HUUCEWRRSA-N 0 0 339.417 2.623 10 5 EFBERN CCc1noc(C)c1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000354428841 476656182 /nfs/dbraw/zinc/65/61/82/476656182.db2.gz VZUUQKQGCWFMDQ-UHFFFAOYSA-N 0 0 346.343 2.593 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(CO)c(F)c1 ZINC000352357686 476659593 /nfs/dbraw/zinc/65/95/93/476659593.db2.gz SMQKFNMFKXJYBM-UHFFFAOYSA-N 0 0 327.315 2.808 10 5 EFBERN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000363346323 476660495 /nfs/dbraw/zinc/66/04/95/476660495.db2.gz UVVKXCPPJWQTND-INIZCTEOSA-N 0 0 339.351 2.520 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352367365 476666435 /nfs/dbraw/zinc/66/64/35/476666435.db2.gz NVRQKSREDWOVEN-NSHDSACASA-N 0 0 339.399 2.958 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1C[C@H]2CCCC[C@H]21 ZINC000365694835 476674455 /nfs/dbraw/zinc/67/44/55/476674455.db2.gz BGNQXVPQCVCFOV-QMTHXVAHSA-N 0 0 329.360 2.555 10 5 EFBERN COc1ccc(CN2C[C@H](C)NC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000378125073 476684417 /nfs/dbraw/zinc/68/44/17/476684417.db2.gz BRFXQOHLHGFJDX-LBPRGKRZSA-N 0 0 341.367 2.742 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000354490393 476684924 /nfs/dbraw/zinc/68/49/24/476684924.db2.gz QJOMPHKRGMJMKC-NTZNESFSSA-N 0 0 342.417 2.706 10 5 EFBERN CCc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)c1[N+](=O)[O-] ZINC000365780724 476695868 /nfs/dbraw/zinc/69/58/68/476695868.db2.gz HZVCVRKYOAJLDM-OCCSQVGLSA-N 0 0 344.371 2.530 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@]2(CCOC2)C1 ZINC000456703799 476701455 /nfs/dbraw/zinc/70/14/55/476701455.db2.gz XNJNSOHZMCKHSV-SFHVURJKSA-N 0 0 341.367 2.786 10 5 EFBERN CC(C)(C(=O)N1CCC[C@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000456707888 476702760 /nfs/dbraw/zinc/70/27/60/476702760.db2.gz GHGVVOXGEIABQZ-SFHVURJKSA-N 0 0 332.400 2.902 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000354520423 476704740 /nfs/dbraw/zinc/70/47/40/476704740.db2.gz KHJPERSTNWZYRM-HTQZYQBOSA-N 0 0 342.277 2.810 10 5 EFBERN CCc1nn(C)c(N[C@H]2C[C@@H](C(=O)OC)c3ccccc32)c1[N+](=O)[O-] ZINC000370231755 476713584 /nfs/dbraw/zinc/71/35/84/476713584.db2.gz TZIJKJGXSSADAS-OCCSQVGLSA-N 0 0 344.371 2.704 10 5 EFBERN CSc1ccc(C(=O)N2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000456746668 476720628 /nfs/dbraw/zinc/72/06/28/476720628.db2.gz YXDIHHYXFSZELE-MRXNPFEDSA-N 0 0 336.413 2.959 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451913874 476722024 /nfs/dbraw/zinc/72/20/24/476722024.db2.gz TUCFJTJXPPKZHL-JOYOIKCWSA-N 0 0 338.713 2.993 10 5 EFBERN Cc1nc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)no1 ZINC000378613404 476721974 /nfs/dbraw/zinc/72/19/74/476721974.db2.gz YLNSTFIHRYOESY-CQSZACIVSA-N 0 0 345.359 2.747 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375233609 476729323 /nfs/dbraw/zinc/72/93/23/476729323.db2.gz LJXDMIALANKMHK-MRXNPFEDSA-N 0 0 335.360 2.638 10 5 EFBERN Cc1[nH]c2ccc(CNC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2c1C ZINC000445174924 476732435 /nfs/dbraw/zinc/73/24/35/476732435.db2.gz CVLCBQVKKNPNLA-UHFFFAOYSA-N 0 0 340.339 2.724 10 5 EFBERN CC1=C[C@@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000430000946 476733810 /nfs/dbraw/zinc/73/38/10/476733810.db2.gz AYJNQLBIKQVOAY-LLVKDONJSA-N 0 0 347.396 2.730 10 5 EFBERN Cc1nn(C)c(C(=O)Nc2ccc(CCC(C)C)cn2)c1[N+](=O)[O-] ZINC000456783400 476736403 /nfs/dbraw/zinc/73/64/03/476736403.db2.gz MHRMSFYKOCWYSA-UHFFFAOYSA-N 0 0 331.376 2.873 10 5 EFBERN C[C@H]1[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000370285917 476738422 /nfs/dbraw/zinc/73/84/22/476738422.db2.gz QSLPPECADOMNDR-WFASDCNBSA-N 0 0 340.383 2.779 10 5 EFBERN CCCNC(=O)Cc1noc(/C(C)=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000445408490 476740185 /nfs/dbraw/zinc/74/01/85/476740185.db2.gz GVNWSHRCWWQYQA-LUAWRHEFSA-N 0 0 330.344 2.607 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@](CO)(c3ccccc3)C2)n1 ZINC000370289566 476741054 /nfs/dbraw/zinc/74/10/54/476741054.db2.gz RWBKGDXOERQHHC-SFHVURJKSA-N 0 0 327.384 2.829 10 5 EFBERN CC(C)(O)C(C)(C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456796666 476741192 /nfs/dbraw/zinc/74/11/92/476741192.db2.gz KYKZGXNEQKQNFI-UHFFFAOYSA-N 0 0 346.330 2.723 10 5 EFBERN O=[N+]([O-])c1c(N2CC[C@H](c3nc(C4CC4)no3)C2)nc2sccn21 ZINC000375255563 476741401 /nfs/dbraw/zinc/74/14/01/476741401.db2.gz YEDISSIWLOHHJU-VIFPVBQESA-N 0 0 346.372 2.558 10 5 EFBERN Cc1nc([N+](=O)[O-])c(-c2noc(/C=C\c3cncc(C)c3)n2)n1C ZINC000445600804 476753263 /nfs/dbraw/zinc/75/32/63/476753263.db2.gz LOLDZWVXRYREJR-PLNGDYQASA-N 0 0 326.316 2.561 10 5 EFBERN C/C(=C/c1nc(-c2ccc(=O)n(C)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445618279 476754786 /nfs/dbraw/zinc/75/47/86/476754786.db2.gz LJIQJRBPFYEWKZ-LUAWRHEFSA-N 0 0 338.323 2.904 10 5 EFBERN Cn1cc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)ccc1=O ZINC000445617434 476754863 /nfs/dbraw/zinc/75/48/63/476754863.db2.gz ZYORWPNGWICIRI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/34/66/25/477346625.db2.gz LJJUHGQTIKCXCY-UHFFFAOYSA-N 0 0 334.326 2.985 10 5 EFBERN CCn1nc2c(cc1=O)CN([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000371497576 477355891 /nfs/dbraw/zinc/35/58/91/477355891.db2.gz QAQZGSCFDRJHSI-CYBMUJFWSA-N 0 0 342.399 2.599 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000411765383 477359721 /nfs/dbraw/zinc/35/97/21/477359721.db2.gz BQWGRLZAQDHPAE-JKSUJKDBSA-N 0 0 340.383 2.828 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc(N3CCO[C@]4(CCOC4)C3)n2)cc1 ZINC000448963931 477362657 /nfs/dbraw/zinc/36/26/57/477362657.db2.gz XYCJGUIAAVFOHQ-MRXNPFEDSA-N 0 0 347.396 2.714 10 5 EFBERN CCn1ccnc1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000454765297 477367157 /nfs/dbraw/zinc/36/71/57/477367157.db2.gz QFOYLCPKUHLRIJ-NWDGAFQWSA-N 0 0 331.376 2.933 10 5 EFBERN CC[C@@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000435824660 477377113 /nfs/dbraw/zinc/37/71/13/477377113.db2.gz HZJKNJDTLLYRQZ-CYBMUJFWSA-N 0 0 346.387 2.835 10 5 EFBERN CC(C)Oc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nc1 ZINC000435877104 477386085 /nfs/dbraw/zinc/38/60/85/477386085.db2.gz NIUWYNBJDRFIPK-UHFFFAOYSA-N 0 0 327.340 2.980 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC(C)(C)C[C@H]1C ZINC000411839867 477389309 /nfs/dbraw/zinc/38/93/09/477389309.db2.gz DLMZWYDYZUCBHZ-LLVKDONJSA-N 0 0 333.388 2.797 10 5 EFBERN CC1=C[C@H](C)CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000436006858 477405574 /nfs/dbraw/zinc/40/55/74/477405574.db2.gz NZCZLBISHHKKOS-JTQLQIEISA-N 0 0 327.340 2.887 10 5 EFBERN CCc1noc(C)c1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000454858817 477406748 /nfs/dbraw/zinc/40/67/48/477406748.db2.gz RVNJAULJPXFUQV-UHFFFAOYSA-N 0 0 332.360 2.761 10 5 EFBERN CC1=C[C@@H](C)CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436023920 477408728 /nfs/dbraw/zinc/40/87/28/477408728.db2.gz QLPXRAAWNSSCCR-GFCCVEGCSA-N 0 0 326.356 2.819 10 5 EFBERN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000376586422 477417235 /nfs/dbraw/zinc/41/72/35/477417235.db2.gz LIHXYGKGUYLVJY-XNJGSVPQSA-N 0 0 349.387 2.785 10 5 EFBERN Cc1nc2c(s1)[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 ZINC000371636596 477419960 /nfs/dbraw/zinc/41/99/60/477419960.db2.gz YDZSAEATPPEVTL-GFCCVEGCSA-N 0 0 332.385 2.948 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000417038280 477435779 /nfs/dbraw/zinc/43/57/79/477435779.db2.gz IWMPBVMHDJIYGP-ZDUSSCGKSA-N 0 0 348.403 2.733 10 5 EFBERN C[C@@H]1C[C@H](O)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000412768601 477455826 /nfs/dbraw/zinc/45/58/26/477455826.db2.gz GWOOXZQFSRJSGE-OLZOCXBDSA-N 0 0 336.391 2.524 10 5 EFBERN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000436347611 477466590 /nfs/dbraw/zinc/46/65/90/477466590.db2.gz SYEUPDCNKUBEIS-KRWDZBQOSA-N 0 0 349.387 2.636 10 5 EFBERN O=C([C@@H]1CCC[C@H](F)C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000424680610 477477671 /nfs/dbraw/zinc/47/76/71/477477671.db2.gz URSNUCARZQMSCF-FRRDWIJNSA-N 0 0 336.367 2.531 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000367388584 477486370 /nfs/dbraw/zinc/48/63/70/477486370.db2.gz CCNFUZZBUKCMEJ-MRXNPFEDSA-N 0 0 330.388 2.519 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000367395640 477490910 /nfs/dbraw/zinc/49/09/10/477490910.db2.gz CVBKBSGJLMLMMI-GFCCVEGCSA-N 0 0 336.298 2.584 10 5 EFBERN COC[C@H]1CCCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000455104823 477501025 /nfs/dbraw/zinc/50/10/25/477501025.db2.gz QMAHSGLCGZETTE-LBPRGKRZSA-N 0 0 337.376 2.884 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458622616 477512968 /nfs/dbraw/zinc/51/29/68/477512968.db2.gz DXNRIMOALTVOJG-RYUDHWBXSA-N 0 0 341.820 2.690 10 5 EFBERN O=[N+]([O-])c1cccc([C@@H](O)CN2CCO[C@H](C3CCCCC3)C2)c1 ZINC000371828621 477514669 /nfs/dbraw/zinc/51/46/69/477514669.db2.gz KMJKFXIRWOVIGG-ROUUACIJSA-N 0 0 334.416 2.909 10 5 EFBERN C[C@@H](C(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371829899 477516618 /nfs/dbraw/zinc/51/66/18/477516618.db2.gz WPPDPPSIKFFWDQ-LLVKDONJSA-N 0 0 346.362 2.967 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000376831430 477523723 /nfs/dbraw/zinc/52/37/23/477523723.db2.gz JEICBLLLLGPNDJ-HFBDAHEESA-N 0 0 340.383 2.748 10 5 EFBERN CCC(=O)N[C@@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413108399 477523786 /nfs/dbraw/zinc/52/37/86/477523786.db2.gz REBCEGKTEKSNSB-CYBMUJFWSA-N 0 0 328.372 2.638 10 5 EFBERN CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000413128458 477535243 /nfs/dbraw/zinc/53/52/43/477535243.db2.gz AFXXMAUNOIQLCY-AWEZNQCLSA-N 0 0 348.309 2.510 10 5 EFBERN C[C@H](NC(=O)N1CCO[C@H](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000413134682 477538349 /nfs/dbraw/zinc/53/83/49/477538349.db2.gz IWOGZBYRLRNRFF-LRDDRELGSA-N 0 0 333.388 2.866 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)C1 ZINC000376866746 477540682 /nfs/dbraw/zinc/54/06/82/477540682.db2.gz MNEYCWDIPCHKAF-PIGZYNQJSA-N 0 0 332.356 2.976 10 5 EFBERN O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367532838 477561622 /nfs/dbraw/zinc/56/16/22/477561622.db2.gz FGDRTIIKQDOQKR-UHFFFAOYSA-N 0 0 347.415 2.827 10 5 EFBERN CCCn1c(CO)nnc1Sc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413194637 477564511 /nfs/dbraw/zinc/56/45/11/477564511.db2.gz BXDKIEVGEWUYEZ-UHFFFAOYSA-N 0 0 345.384 2.788 10 5 EFBERN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC(C)(C)C ZINC000424956991 477574298 /nfs/dbraw/zinc/57/42/98/477574298.db2.gz SBUNTCJRPHZLOX-LLVKDONJSA-N 0 0 340.376 2.922 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000371965125 477578851 /nfs/dbraw/zinc/57/88/51/477578851.db2.gz DYRKMDVVKCSJNM-CYBMUJFWSA-N 0 0 333.731 2.815 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424997552 477590391 /nfs/dbraw/zinc/59/03/91/477590391.db2.gz CHNWAZWFLUGWKW-GFCCVEGCSA-N 0 0 349.778 2.625 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1O ZINC000436806114 477594954 /nfs/dbraw/zinc/59/49/54/477594954.db2.gz ZOBGGZHQYVSFEJ-UHFFFAOYSA-N 0 0 336.325 2.709 10 5 EFBERN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](CCOC(C)(C)C)C1=O ZINC000419958536 477596858 /nfs/dbraw/zinc/59/68/58/477596858.db2.gz CJVHPHYIFFCKLA-SMDDNHRTSA-N 0 0 349.387 2.781 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC000425012257 477599229 /nfs/dbraw/zinc/59/92/29/477599229.db2.gz RNWSEIGHUXBPLS-MLGOLLRUSA-N 0 0 332.335 2.638 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)c1[N+](=O)[O-] ZINC000425010541 477599509 /nfs/dbraw/zinc/59/95/09/477599509.db2.gz QNOJYPANKYHIIT-ZBEGNZNMSA-N 0 0 332.335 2.808 10 5 EFBERN CN(CC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000425014567 477601009 /nfs/dbraw/zinc/60/10/09/477601009.db2.gz SSNVGURAZDOVSR-SJLPKXTDSA-N 0 0 343.358 2.785 10 5 EFBERN CCOc1ccc(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000372038760 477609275 /nfs/dbraw/zinc/60/92/75/477609275.db2.gz OYIWJZWUBXVWQD-WMZOPIPTSA-N 0 0 348.399 2.929 10 5 EFBERN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1C(=O)OC(C)(C)C ZINC000425040065 477613951 /nfs/dbraw/zinc/61/39/51/477613951.db2.gz NSHMKYWEKIYBLX-MFKMUULPSA-N 0 0 337.376 2.505 10 5 EFBERN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000450517092 477615520 /nfs/dbraw/zinc/61/55/20/477615520.db2.gz MOPCDICNGCXIDR-WFASDCNBSA-N 0 0 329.356 2.822 10 5 EFBERN CC[C@H](CO)N(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455400841 477618324 /nfs/dbraw/zinc/61/83/24/477618324.db2.gz LVQGWRZXAOETIV-SNVBAGLBSA-N 0 0 346.181 2.592 10 5 EFBERN O=[N+]([O-])c1ccc(N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cn1 ZINC000450533267 477622458 /nfs/dbraw/zinc/62/24/58/477622458.db2.gz ASGQMRAUXVBNLI-QWHCGFSZSA-N 0 0 331.397 2.995 10 5 EFBERN COCC[C@H](COC)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450533796 477623303 /nfs/dbraw/zinc/62/33/03/477623303.db2.gz XIQDICWVVYIZHX-GFCCVEGCSA-N 0 0 337.401 2.604 10 5 EFBERN CNC(=O)C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455417644 477624344 /nfs/dbraw/zinc/62/43/44/477624344.db2.gz QSEVKINUTXJXPT-SNVBAGLBSA-N 0 0 336.392 2.538 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC(CC(F)F)C1 ZINC000425080956 477633643 /nfs/dbraw/zinc/63/36/43/477633643.db2.gz CTMCINAQOWLOFE-UHFFFAOYSA-N 0 0 336.298 2.508 10 5 EFBERN Cc1cc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000413336307 477635172 /nfs/dbraw/zinc/63/51/72/477635172.db2.gz YLWHQOGWDVVTOT-LBPRGKRZSA-N 0 0 346.412 2.711 10 5 EFBERN C[C@@]1(F)CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450567611 477637962 /nfs/dbraw/zinc/63/79/62/477637962.db2.gz ZATDLJPHUPIDMP-QGZVFWFLSA-N 0 0 337.395 2.755 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2COC)n1 ZINC000425116139 477641828 /nfs/dbraw/zinc/64/18/28/477641828.db2.gz SJOFLWSRTMCPKJ-UHFFFAOYSA-N 0 0 338.751 2.863 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@@H](CO)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000413350779 477642307 /nfs/dbraw/zinc/64/23/07/477642307.db2.gz KLMVXGXKIKXVEL-INWMFGNUSA-N 0 0 335.404 2.848 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC000425120216 477642805 /nfs/dbraw/zinc/64/28/05/477642805.db2.gz NZOGYSNEEIJELX-ZDUSSCGKSA-N 0 0 328.372 2.942 10 5 EFBERN COC[C@@](C)(O)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000450585683 477643767 /nfs/dbraw/zinc/64/37/67/477643767.db2.gz AWNNBUMLQIDXAN-LBPRGKRZSA-N 0 0 333.182 2.557 10 5 EFBERN CCSc1cccnc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450632212 477661829 /nfs/dbraw/zinc/66/18/29/477661829.db2.gz MDDYNNUWRWKFJR-UHFFFAOYSA-N 0 0 344.396 2.695 10 5 EFBERN CC[C@H](CC(F)(F)F)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450632398 477662558 /nfs/dbraw/zinc/66/25/58/477662558.db2.gz OCUOXONBARBXCE-SECBINFHSA-N 0 0 331.294 2.853 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)n1 ZINC000450662032 477674723 /nfs/dbraw/zinc/67/47/23/477674723.db2.gz WAAKCSRQYYLHKO-WMLDXEAASA-N 0 0 331.347 2.603 10 5 EFBERN COC(=O)[C@]1(C)CCCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000413431363 477677064 /nfs/dbraw/zinc/67/70/64/477677064.db2.gz HYERFGURMFQPJO-SJKOYZFVSA-N 0 0 349.387 2.641 10 5 EFBERN CN(Cc1cc[nH]n1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437293479 477691902 /nfs/dbraw/zinc/69/19/02/477691902.db2.gz YCTQBPQOSIYNKL-UHFFFAOYSA-N 0 0 328.250 2.609 10 5 EFBERN COC(=O)c1cc(N2CCO[C@@H](C3CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000413484287 477695810 /nfs/dbraw/zinc/69/58/10/477695810.db2.gz ZHZDEBSVOMKELI-OAHLLOKOSA-N 0 0 334.372 2.695 10 5 EFBERN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372235480 477706863 /nfs/dbraw/zinc/70/68/63/477706863.db2.gz IHGWLRQJIYVTNS-SUMWQHHRSA-N 0 0 342.351 2.808 10 5 EFBERN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372235479 477707034 /nfs/dbraw/zinc/70/70/34/477707034.db2.gz IHGWLRQJIYVTNS-GUYCJALGSA-N 0 0 342.351 2.808 10 5 EFBERN Cc1c(C(=O)NC2(C(=O)Nc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000426414155 477708981 /nfs/dbraw/zinc/70/89/81/477708981.db2.gz WIPFFHCNLASNOC-UHFFFAOYSA-N 0 0 339.351 2.804 10 5 EFBERN CCOC(=O)C[C@@H]1C[C@H](OC)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000372241333 477710166 /nfs/dbraw/zinc/71/01/66/477710166.db2.gz NQVXYHQSPWTXEL-RYUDHWBXSA-N 0 0 342.779 2.795 10 5 EFBERN CNC(=O)c1cccnc1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000450770145 477711280 /nfs/dbraw/zinc/71/12/80/477711280.db2.gz XHXSXNCMEMHHEE-CQSZACIVSA-N 0 0 340.383 2.733 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000450802595 477722112 /nfs/dbraw/zinc/72/21/12/477722112.db2.gz ZHHFLPHHFVVVPU-GWCFXTLKSA-N 0 0 342.442 2.685 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3nnc(C4CC4)s3)n2)c1 ZINC000450826201 477730952 /nfs/dbraw/zinc/73/09/52/477730952.db2.gz YZVRFOWHVFNMEE-UHFFFAOYSA-N 0 0 328.357 2.631 10 5 EFBERN CCc1ncc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])o1 ZINC000450846649 477736017 /nfs/dbraw/zinc/73/60/17/477736017.db2.gz MWHYKNCRDACJTB-UHFFFAOYSA-N 0 0 330.344 2.650 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C1)CCCOC2 ZINC000377318363 477736377 /nfs/dbraw/zinc/73/63/77/477736377.db2.gz SYURIXSWHDZILM-UHFFFAOYSA-N 0 0 336.413 2.959 10 5 EFBERN CCCc1ncc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)o1 ZINC000450856799 477738268 /nfs/dbraw/zinc/73/82/68/477738268.db2.gz IYYILEVFSFHQDQ-UHFFFAOYSA-N 0 0 339.373 2.551 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@]2(CCOC2)C1 ZINC000450874573 477745375 /nfs/dbraw/zinc/74/53/75/477745375.db2.gz DDBPKFOMLUBZID-KRWDZBQOSA-N 0 0 334.372 2.697 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CCN(CC(F)(F)F)C[C@@H](C)C2)n1 ZINC000450872897 477745456 /nfs/dbraw/zinc/74/54/56/477745456.db2.gz PALUJAZOIRDPIM-SNVBAGLBSA-N 0 0 332.326 2.619 10 5 EFBERN O=[N+]([O-])c1cc2cnn(Cc3cn(CC4CC4)nn3)c2c(Cl)c1 ZINC000450901511 477754325 /nfs/dbraw/zinc/75/43/25/477754325.db2.gz HZHHWKBWXGDFHM-UHFFFAOYSA-N 0 0 332.751 2.648 10 5 EFBERN O=c1[nH]c(N2CCC[C@]3(CCSC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000450901119 477754946 /nfs/dbraw/zinc/75/49/46/477754946.db2.gz HZMTYGHKMRAKBG-INIZCTEOSA-N 0 0 346.412 2.967 10 5 EFBERN C[C@@]1(c2ccccc2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000367927582 477757256 /nfs/dbraw/zinc/75/72/56/477757256.db2.gz CNRJWJUOXFCMPT-GOSISDBHSA-N 0 0 325.368 2.981 10 5 EFBERN Cc1cc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000372329054 477758807 /nfs/dbraw/zinc/75/88/07/477758807.db2.gz AGFLOSZTHFWBGI-MRXNPFEDSA-N 0 0 345.330 2.651 10 5 EFBERN O=c1[nH]nc(C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)o1 ZINC000450912881 477759236 /nfs/dbraw/zinc/75/92/36/477759236.db2.gz ICNNBTBLMPAMIK-UHFFFAOYSA-N 0 0 338.751 2.716 10 5 EFBERN CON(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCOc2ccccc21 ZINC000372335449 477761388 /nfs/dbraw/zinc/76/13/88/477761388.db2.gz WXFGNRMDJATHON-OAHLLOKOSA-N 0 0 343.339 2.907 10 5 EFBERN COc1ccc(N2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)nc1 ZINC000450933241 477765646 /nfs/dbraw/zinc/76/56/46/477765646.db2.gz UUPWYWBURNDQCG-UHFFFAOYSA-N 0 0 346.362 2.773 10 5 EFBERN C[C@@H](C(=O)C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000450943908 477769749 /nfs/dbraw/zinc/76/97/49/477769749.db2.gz UBRKMWCBOZBPIG-NSHDSACASA-N 0 0 325.386 2.906 10 5 EFBERN Cn1ccnc1[C@@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000450947132 477770503 /nfs/dbraw/zinc/77/05/03/477770503.db2.gz BFEORQNDWXOUJU-PWSUYJOCSA-N 0 0 337.767 2.709 10 5 EFBERN CC(C)[C@@](C)(CO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427390257 477773167 /nfs/dbraw/zinc/77/31/67/477773167.db2.gz IYQGLBLVDJCJJO-ZUZCIYMTSA-N 0 0 344.795 2.539 10 5 EFBERN O=[N+]([O-])c1ccc(F)cc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000372391409 477784161 /nfs/dbraw/zinc/78/41/61/477784161.db2.gz BWKNGAUNBPNXDK-ZDUSSCGKSA-N 0 0 338.379 2.751 10 5 EFBERN C[C@H]1CC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000368086491 477784231 /nfs/dbraw/zinc/78/42/31/477784231.db2.gz PXBHYZKSWTYUTN-NHYWBVRUSA-N 0 0 342.392 2.935 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc(C2CC2)n1 ZINC000451040479 477799332 /nfs/dbraw/zinc/79/93/32/477799332.db2.gz KLEYSZQBNIRQFE-UHFFFAOYSA-N 0 0 347.396 2.852 10 5 EFBERN Cc1cc(COCC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)on1 ZINC000456158888 477802672 /nfs/dbraw/zinc/80/26/72/477802672.db2.gz FXRWYSOPTIHQBH-UHFFFAOYSA-N 0 0 348.359 2.867 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N(C)c2cccnc2C)c1[N+](=O)[O-] ZINC000451065042 477807624 /nfs/dbraw/zinc/80/76/24/477807624.db2.gz KEIVPEWPZIFUQP-UHFFFAOYSA-N 0 0 335.385 2.740 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000456181134 477810160 /nfs/dbraw/zinc/81/01/60/477810160.db2.gz PJKFWDBHGNICIT-OCCSQVGLSA-N 0 0 345.355 2.538 10 5 EFBERN COC(=O)c1cc(F)ccc1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000428078262 477816384 /nfs/dbraw/zinc/81/63/84/477816384.db2.gz HBAAUSYJORXSNG-UHFFFAOYSA-N 0 0 335.287 2.592 10 5 EFBERN C[C@H](C(=O)N1CCOC[C@H]1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000557724569 477817769 /nfs/dbraw/zinc/81/77/69/477817769.db2.gz VZGOBJGHXOGKIJ-GXFFZTMASA-N 0 0 328.315 2.581 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCSC[C@@H]1C1CC1 ZINC000456203538 477818027 /nfs/dbraw/zinc/81/80/27/477818027.db2.gz NSYYGKKJRMRNAQ-CQSZACIVSA-N 0 0 342.367 2.770 10 5 EFBERN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000428091410 477819647 /nfs/dbraw/zinc/81/96/47/477819647.db2.gz ZLRVDYKXGSEULB-GDNZZTSVSA-N 0 0 325.162 2.886 10 5 EFBERN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1C[C@H]1C(F)(F)F ZINC000459907017 477820395 /nfs/dbraw/zinc/82/03/95/477820395.db2.gz VCCIFEJPFFUIAC-HTQZYQBOSA-N 0 0 346.261 2.893 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000451110084 477828550 /nfs/dbraw/zinc/82/85/50/477828550.db2.gz BZHLXSZIENHUPL-BZNIZROVSA-N 0 0 339.367 2.754 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000438410828 477838625 /nfs/dbraw/zinc/83/86/25/477838625.db2.gz MERNUFRZPXPMHJ-HZSPNIEDSA-N 0 0 347.415 2.833 10 5 EFBERN COC(=O)c1cc(N[C@H]2CCN(C(C)(C)C)C2=O)cc(C)c1[N+](=O)[O-] ZINC000515642632 477848719 /nfs/dbraw/zinc/84/87/19/477848719.db2.gz MUNYJVNIHJIIJW-ZDUSSCGKSA-N 0 0 349.387 2.501 10 5 EFBERN CC1(C)CCC[C@](O)(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000438493981 477852296 /nfs/dbraw/zinc/85/22/96/477852296.db2.gz DHNSZKGTMVPDRX-QGZVFWFLSA-N 0 0 346.387 2.532 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000456296466 477853311 /nfs/dbraw/zinc/85/33/11/477853311.db2.gz CWEZSVFSQBTZCJ-YOEHRIQHSA-N 0 0 341.367 2.948 10 5 EFBERN CC(C)(O)CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000428357465 477876049 /nfs/dbraw/zinc/87/60/49/477876049.db2.gz DRRZAIOFJIBUJC-UHFFFAOYSA-N 0 0 344.314 2.572 10 5 EFBERN CCC1(CC)CN(Cc2ccc(C)c([N+](=O)[O-])c2)CCS1(=O)=O ZINC000428419091 477890897 /nfs/dbraw/zinc/89/08/97/477890897.db2.gz ASFCHUQRBIALMV-UHFFFAOYSA-N 0 0 340.445 2.692 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456379129 477898971 /nfs/dbraw/zinc/89/89/71/477898971.db2.gz LNJBQKQVYQZZHM-PWSUYJOCSA-N 0 0 330.344 2.626 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)NC2CC2)c1 ZINC000438954485 477910240 /nfs/dbraw/zinc/91/02/40/477910240.db2.gz AAKOXOLZCTWYHM-UHFFFAOYSA-N 0 0 325.324 2.739 10 5 EFBERN CNC(=O)c1cccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000516281461 477920211 /nfs/dbraw/zinc/92/02/11/477920211.db2.gz ZBKNVGCFEVOCIZ-UHFFFAOYSA-N 0 0 340.383 2.840 10 5 EFBERN Cc1cccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000558706009 477923412 /nfs/dbraw/zinc/92/34/12/477923412.db2.gz GRMQPWAFRGWKPG-UHFFFAOYSA-N 0 0 328.372 2.682 10 5 EFBERN COC(=O)c1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)cc(C)c1[N+](=O)[O-] ZINC000439085013 477927648 /nfs/dbraw/zinc/92/76/48/477927648.db2.gz LNMXDOICAYLZJB-KGLIPLIRSA-N 0 0 348.399 2.943 10 5 EFBERN Cc1ccc([C@H](C)NS(=O)(=O)c2cnccc2C)cc1[N+](=O)[O-] ZINC000451284286 477930414 /nfs/dbraw/zinc/93/04/14/477930414.db2.gz IMPMIQJYTOPHPS-LBPRGKRZSA-N 0 0 335.385 2.646 10 5 EFBERN COC(=O)CC1(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000439164487 477939606 /nfs/dbraw/zinc/93/96/06/477939606.db2.gz HMTPNVBSCWHFGZ-UHFFFAOYSA-N 0 0 340.763 2.772 10 5 EFBERN CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000464252169 477947871 /nfs/dbraw/zinc/94/78/71/477947871.db2.gz YUYNUPUEAOZWKT-INIZCTEOSA-N 0 0 335.404 2.738 10 5 EFBERN Cc1c(CC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000439264618 477953116 /nfs/dbraw/zinc/95/31/16/477953116.db2.gz ZBROONDCVPWYJL-HOTGVXAUSA-N 0 0 332.400 2.721 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439271415 477953868 /nfs/dbraw/zinc/95/38/68/477953868.db2.gz GKVPLLGDAYQBDJ-HUUCEWRRSA-N 0 0 348.399 2.639 10 5 EFBERN NC(=O)C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559071271 477956672 /nfs/dbraw/zinc/95/66/72/477956672.db2.gz NNHHUPNDZULMPH-LLVKDONJSA-N 0 0 345.321 2.844 10 5 EFBERN CCOc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)ccc1[N+](=O)[O-] ZINC000451340152 477963541 /nfs/dbraw/zinc/96/35/41/477963541.db2.gz JDCRIDYTJZIPKY-UKRRQHHQSA-N 0 0 347.415 2.688 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)nc2c1 ZINC000451351216 477968518 /nfs/dbraw/zinc/96/85/18/477968518.db2.gz IKWFFAUAKHMPKO-IAOVAPTHSA-N 0 0 344.415 2.987 10 5 EFBERN CC1(C)COC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456530283 477968973 /nfs/dbraw/zinc/96/89/73/477968973.db2.gz BQTANASEQVFCNF-ZETCQYMHSA-N 0 0 349.206 2.574 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000421120176 477971487 /nfs/dbraw/zinc/97/14/87/477971487.db2.gz MCEPGABDKJXEKT-ZDUSSCGKSA-N 0 0 349.387 2.905 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000456558717 477982749 /nfs/dbraw/zinc/98/27/49/477982749.db2.gz IWVJMMZGVBKOGD-CQSZACIVSA-N 0 0 330.344 2.841 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000456564255 477985827 /nfs/dbraw/zinc/98/58/27/477985827.db2.gz MOBRSDWDPSCHQR-CQSZACIVSA-N 0 0 330.344 2.597 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000439553764 478001800 /nfs/dbraw/zinc/00/18/00/478001800.db2.gz SQLLFGXALFUDDH-RKDXNWHRSA-N 0 0 346.309 2.869 10 5 EFBERN CN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc21 ZINC000456602512 478002010 /nfs/dbraw/zinc/00/20/10/478002010.db2.gz HPLLSXHDYVKRKE-AWEZNQCLSA-N 0 0 340.383 2.878 10 5 EFBERN O=C(NCCOCC1CCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000516943969 478017314 /nfs/dbraw/zinc/01/73/14/478017314.db2.gz RUKVUSKRKFCRTI-UHFFFAOYSA-N 0 0 344.314 2.743 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000560239276 478035240 /nfs/dbraw/zinc/03/52/40/478035240.db2.gz KSLOUGARHDIZRL-AHIWAGSCSA-N 0 0 343.383 2.509 10 5 EFBERN CC(C)N(Cc1ccccn1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000533096682 478036536 /nfs/dbraw/zinc/03/65/36/478036536.db2.gz VAETZAJGCUAWCW-UHFFFAOYSA-N 0 0 349.412 2.730 10 5 EFBERN Cn1cc([C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(F)(F)F)cn1 ZINC000487764885 478071021 /nfs/dbraw/zinc/07/10/21/478071021.db2.gz ZZZAZWJROUZULF-LLVKDONJSA-N 0 0 346.240 2.501 10 5 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CCO[C@H](Cn1c(C)cn(-c2cccc([N+](=O)[O-])c2)c1=O)C1CC1 ZINC000600673805 478462146 /nfs/dbraw/zinc/46/21/46/478462146.db2.gz IYDKRKLRTBUAMX-MRXNPFEDSA-N 0 0 331.372 2.671 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](CC)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594603873 478462504 /nfs/dbraw/zinc/46/25/04/478462504.db2.gz WGNQPAPAMWRNDH-QWHCGFSZSA-N 0 0 337.376 2.926 10 5 EFBERN C[C@@H]1CC(C(=O)[O-])C[C@@H](C)[NH+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000600673917 478462834 /nfs/dbraw/zinc/46/28/34/478462834.db2.gz BSOYBLLPTJJIFX-CHWSQXEVSA-N 0 0 336.388 2.937 10 5 EFBERN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000600674483 478464348 /nfs/dbraw/zinc/46/43/48/478464348.db2.gz NJIROBUXAQPOQP-MRXNPFEDSA-N 0 0 346.339 2.641 10 5 EFBERN O=C([O-])[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000600676265 478466034 /nfs/dbraw/zinc/46/60/34/478466034.db2.gz VABLBIWIYRUFGJ-MGPQQGTHSA-N 0 0 334.372 2.549 10 5 EFBERN CSCCCCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600690416 478470308 /nfs/dbraw/zinc/47/03/08/478470308.db2.gz KKYXMOOAWOGNCN-OAHLLOKOSA-N 0 0 337.401 2.505 10 5 EFBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000600691870 478470971 /nfs/dbraw/zinc/47/09/71/478470971.db2.gz MAWALSICCDEFBO-MEBBXXQBSA-N 0 0 341.323 2.810 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000600694216 478472642 /nfs/dbraw/zinc/47/26/42/478472642.db2.gz HYEWQGJXBTWJSW-CYBMUJFWSA-N 0 0 347.306 2.599 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2(C3CC3)CC2)C1=O ZINC000600696252 478472767 /nfs/dbraw/zinc/47/27/67/478472767.db2.gz POQYJTPPRGOHCL-MRXNPFEDSA-N 0 0 329.356 2.552 10 5 EFBERN CC(C)[C@@H]1C[C@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600700017 478474582 /nfs/dbraw/zinc/47/45/82/478474582.db2.gz CXMQMFFUZJWOBR-PZSREKOKSA-N 0 0 331.372 2.654 10 5 EFBERN CCC[C@@H](CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)OCC ZINC000600703895 478475040 /nfs/dbraw/zinc/47/50/40/478475040.db2.gz UOWOGMGQMYRHAK-YOEHRIQHSA-N 0 0 349.387 2.567 10 5 EFBERN CC(C)OCCCCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600704392 478475648 /nfs/dbraw/zinc/47/56/48/478475648.db2.gz VEOFSIUXFYQXFJ-KRWDZBQOSA-N 0 0 349.387 2.567 10 5 EFBERN CC[C@H](CSC)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600703605 478475766 /nfs/dbraw/zinc/47/57/66/478475766.db2.gz SWIVRTGDJDNWLX-ABAIWWIYSA-N 0 0 337.401 2.503 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(C(F)(F)F)CCCC2)n1 ZINC000600706690 478477501 /nfs/dbraw/zinc/47/75/01/478477501.db2.gz SRNJTIJLJHFTLC-UHFFFAOYSA-N 0 0 334.298 2.664 10 5 EFBERN COC(C)(C)C[C@H](C)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600705019 478477658 /nfs/dbraw/zinc/47/76/58/478477658.db2.gz WPFRVFBNMNSNCC-APPDUMDISA-N 0 0 349.387 2.565 10 5 EFBERN COC(C)(C)C[C@@H](C)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600705025 478477878 /nfs/dbraw/zinc/47/78/78/478477878.db2.gz WPFRVFBNMNSNCC-PIGZYNQJSA-N 0 0 349.387 2.565 10 5 EFBERN 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2.663 10 5 EFBERN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](CCc1ccccc1)C(F)F ZINC000600790708 478523718 /nfs/dbraw/zinc/52/37/18/478523718.db2.gz CFMVEFRPGMCJOU-LLVKDONJSA-N 0 0 338.314 2.656 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H]2C2CCC2)s1 ZINC000591334154 478526157 /nfs/dbraw/zinc/52/61/57/478526157.db2.gz FQHRFIBRPKZJPH-SNVBAGLBSA-N 0 0 348.471 2.563 10 5 EFBERN O=C(NC[C@H]1CCCC12CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600801731 478527157 /nfs/dbraw/zinc/52/71/57/478527157.db2.gz DPYBOSDUJSHDQK-LLVKDONJSA-N 0 0 332.356 2.676 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000541005211 478527390 /nfs/dbraw/zinc/52/73/90/478527390.db2.gz KKRIHCJMDXDRSM-HUUCEWRRSA-N 0 0 334.420 2.662 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@H](O)C(F)(F)F)CC2)n1 ZINC000541006928 478528035 /nfs/dbraw/zinc/52/80/35/478528035.db2.gz AYTIMKGMHWYIGA-LBPRGKRZSA-N 0 0 333.310 2.746 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc3c(c2)CCS3(=O)=O)n1 ZINC000541004578 478528062 /nfs/dbraw/zinc/52/80/62/478528062.db2.gz MGGQZFWNVJRLMO-UHFFFAOYSA-N 0 0 347.396 2.549 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000594748951 478528811 /nfs/dbraw/zinc/52/88/11/478528811.db2.gz QFWGFORUWSIODA-AGIUHOORSA-N 0 0 339.417 2.579 10 5 EFBERN Cc1ccccc1[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC000594752727 478530204 /nfs/dbraw/zinc/53/02/04/478530204.db2.gz BKPYXPCQPBFVPU-OAHLLOKOSA-N 0 0 349.412 2.974 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000594753386 478531423 /nfs/dbraw/zinc/53/14/23/478531423.db2.gz KINRGRCHKAZSSB-HNNXBMFYSA-N 0 0 337.401 2.501 10 5 EFBERN Cc1ccccc1CN(C1CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752992 478532134 /nfs/dbraw/zinc/53/21/34/478532134.db2.gz ZUKISKMSANNTOF-UHFFFAOYSA-N 0 0 347.396 2.652 10 5 EFBERN C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)C(F)(F)F ZINC000600817745 478532480 /nfs/dbraw/zinc/53/24/80/478532480.db2.gz VILALJDSDBFJNJ-QMMMGPOBSA-N 0 0 342.277 2.934 10 5 EFBERN CCC[C@]1(C)CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594757138 478532486 /nfs/dbraw/zinc/53/24/86/478532486.db2.gz MGPNWTZRFUWCAZ-CQSZACIVSA-N 0 0 327.406 2.581 10 5 EFBERN CC(C)CC[C@@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594757878 478532804 /nfs/dbraw/zinc/53/28/04/478532804.db2.gz DWDWUWLEPRZFTD-ZDUSSCGKSA-N 0 0 341.433 2.969 10 5 EFBERN CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759482 478533052 /nfs/dbraw/zinc/53/30/52/478533052.db2.gz OHYUMKFSKUULTD-NWDGAFQWSA-N 0 0 327.406 2.579 10 5 EFBERN CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761270 478534982 /nfs/dbraw/zinc/53/49/82/478534982.db2.gz WXULTWHSFMUDGD-QWRGUYRKSA-N 0 0 327.406 2.578 10 5 EFBERN CN(C(C)(C)c1ccccc1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594781483 478539471 /nfs/dbraw/zinc/53/94/71/478539471.db2.gz TYMYVYPSBOBQGW-UHFFFAOYSA-N 0 0 335.385 2.546 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)c1cncnc1 ZINC000600838128 478539889 /nfs/dbraw/zinc/53/98/89/478539889.db2.gz APAQLJBSKRFQKQ-CYBMUJFWSA-N 0 0 328.372 2.926 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000582223126 478541685 /nfs/dbraw/zinc/54/16/85/478541685.db2.gz WMJPNQUVJRGHJX-CSMYWGQOSA-N 0 0 343.383 2.842 10 5 EFBERN Cc1ccccc1C1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1 ZINC000594792948 478542779 /nfs/dbraw/zinc/54/27/79/478542779.db2.gz FDUMAOKOPANBQU-UHFFFAOYSA-N 0 0 347.396 2.656 10 5 EFBERN C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000597866035 478550738 /nfs/dbraw/zinc/55/07/38/478550738.db2.gz VGHLSACRQKKZLD-ZDUSSCGKSA-N 0 0 328.372 2.712 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC1(C(F)(F)F)CC1 ZINC000582258790 478553704 /nfs/dbraw/zinc/55/37/04/478553704.db2.gz JKNLYRLBYPMGRL-UHFFFAOYSA-N 0 0 347.293 2.615 10 5 EFBERN Nc1c(C(=O)Nc2cncc3c2CCCC3)cc(F)cc1[N+](=O)[O-] ZINC000597870539 478554239 /nfs/dbraw/zinc/55/42/39/478554239.db2.gz OLQQBEATADRTRR-UHFFFAOYSA-N 0 0 330.319 2.842 10 5 EFBERN CCc1csc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000600894275 478555502 /nfs/dbraw/zinc/55/55/02/478555502.db2.gz QTLOEXSHTNTHGV-UHFFFAOYSA-N 0 0 348.352 2.866 10 5 EFBERN CC(=O)NCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000597885299 478559320 /nfs/dbraw/zinc/55/93/20/478559320.db2.gz VDPSSTOHCGMCPZ-UHFFFAOYSA-N 0 0 347.396 2.531 10 5 EFBERN Cc1sc(S(=O)(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000594852577 478560556 /nfs/dbraw/zinc/56/05/56/478560556.db2.gz LQFOYSGQHBIDSC-GARJFASQSA-N 0 0 330.431 2.679 10 5 EFBERN Nc1cc(N2CCC[C@@H](CC(F)(F)F)C2)cc(CO)c1[N+](=O)[O-] ZINC000591462757 478560560 /nfs/dbraw/zinc/56/05/60/478560560.db2.gz WYDUDJKBUBPVTR-VIFPVBQESA-N 0 0 333.310 2.838 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(C)CC2(F)F)c1C ZINC000594851254 478560755 /nfs/dbraw/zinc/56/07/55/478560755.db2.gz IHWVEUAVTDNYBF-LBPRGKRZSA-N 0 0 334.344 2.535 10 5 EFBERN CCC1(CC)CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594854273 478561496 /nfs/dbraw/zinc/56/14/96/478561496.db2.gz IAHKSVRESCGBNG-UHFFFAOYSA-N 0 0 327.406 2.581 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@]2(C)CC2(F)F)c1C ZINC000594857916 478562414 /nfs/dbraw/zinc/56/24/14/478562414.db2.gz PTDFOWDFKZNIBK-ZDUSSCGKSA-N 0 0 348.371 2.925 10 5 EFBERN Nc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000563451061 478562602 /nfs/dbraw/zinc/56/26/02/478562602.db2.gz RVBUZLPZZLMGHU-KRWDZBQOSA-N 0 0 325.368 2.913 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](CCF)C2)c1C ZINC000594858422 478562733 /nfs/dbraw/zinc/56/27/33/478562733.db2.gz UKTJVSYTLLBDEQ-CYBMUJFWSA-N 0 0 344.408 2.972 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@]1(C)CC1(F)F ZINC000594857812 478562902 /nfs/dbraw/zinc/56/29/02/478562902.db2.gz OGARKJMONPSOFV-ZDUSSCGKSA-N 0 0 348.371 2.871 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(C3CC3)n2C)c1 ZINC000597897222 478563344 /nfs/dbraw/zinc/56/33/44/478563344.db2.gz LGGLEPIIPOFBIP-UHFFFAOYSA-N 0 0 333.373 2.575 10 5 EFBERN Cc1sc(S(=O)(=O)N2CCC[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000594857071 478563363 /nfs/dbraw/zinc/56/33/63/478563363.db2.gz NTIFJDMZIDAAKA-JTQLQIEISA-N 0 0 336.410 2.725 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594859294 478564203 /nfs/dbraw/zinc/56/42/03/478564203.db2.gz YQHPXSVJLMZTIP-LBPRGKRZSA-N 0 0 330.381 2.664 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2nnc(C3CC3)n2C)ccc1[N+](=O)[O-] ZINC000597897602 478564330 /nfs/dbraw/zinc/56/43/30/478564330.db2.gz QXEVJJGKGHWCIC-UHFFFAOYSA-N 0 0 345.359 2.640 10 5 EFBERN CC[C@](C)(NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594860424 478564926 /nfs/dbraw/zinc/56/49/26/478564926.db2.gz DHDRMBAVUGLFQH-HNNXBMFYSA-N 0 0 326.418 2.635 10 5 EFBERN CC(C)(C)c1nnc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)[nH]1 ZINC000571320492 478570113 /nfs/dbraw/zinc/57/01/13/478570113.db2.gz MMDZJKMBMAJCAK-UHFFFAOYSA-N 0 0 330.392 2.896 10 5 EFBERN CC(C)c1nnc(Cn2ccc3cc([N+](=O)[O-])ccc3c2=O)s1 ZINC000571327598 478571098 /nfs/dbraw/zinc/57/10/98/478571098.db2.gz YLCRXZIPSLZKFE-UHFFFAOYSA-N 0 0 330.369 2.933 10 5 EFBERN CC[C@H](COCC1CC1)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000597920402 478574050 /nfs/dbraw/zinc/57/40/50/478574050.db2.gz BHTYEPIXDRZNKT-CQSZACIVSA-N 0 0 336.388 2.603 10 5 EFBERN CO[C@H](COc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594891257 478574386 /nfs/dbraw/zinc/57/43/86/478574386.db2.gz VVUPOBLCOOYYDC-TVQRCGJNSA-N 0 0 346.177 2.788 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C1CCC1 ZINC000597918469 478574775 /nfs/dbraw/zinc/57/47/75/478574775.db2.gz GXSHJFIQVBNODH-CQSZACIVSA-N 0 0 338.429 2.986 10 5 EFBERN CO[C@@H](CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C1CCC1 ZINC000594894796 478575937 /nfs/dbraw/zinc/57/59/37/478575937.db2.gz GOGYHYGINPEIJT-AWEZNQCLSA-N 0 0 349.412 2.749 10 5 EFBERN CO[C@H](COc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594893177 478575969 /nfs/dbraw/zinc/57/59/69/478575969.db2.gz ROPPYCSSJPFXAO-JOYOIKCWSA-N 0 0 346.177 2.788 10 5 EFBERN CO[C@H](Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O)C1CCC1 ZINC000594896361 478576536 /nfs/dbraw/zinc/57/65/36/478576536.db2.gz WHYMRPSMVDXLSC-LLVKDONJSA-N 0 0 345.193 2.643 10 5 EFBERN CSc1ccc(C(=O)N2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597920813 478576664 /nfs/dbraw/zinc/57/66/64/478576664.db2.gz CCDRJMAVHJUWMV-MRXNPFEDSA-N 0 0 336.413 2.958 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC)COCC1CC1 ZINC000597922644 478576678 /nfs/dbraw/zinc/57/66/78/478576678.db2.gz JUCYSCPACUXQNB-ZDUSSCGKSA-N 0 0 336.388 2.929 10 5 EFBERN CSc1cccc(C(=O)N2CCO[C@](C)(C3CC3)C2)c1[N+](=O)[O-] ZINC000597924020 478577262 /nfs/dbraw/zinc/57/72/62/478577262.db2.gz OUWZSSTYTSLLCD-INIZCTEOSA-N 0 0 336.413 2.958 10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000597922870 478577671 /nfs/dbraw/zinc/57/76/71/478577671.db2.gz KCCGDPOASSCGQL-GOSISDBHSA-N 0 0 343.383 2.577 10 5 EFBERN CO[C@@H](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C1CCCC1 ZINC000594900616 478578270 /nfs/dbraw/zinc/57/82/70/478578270.db2.gz TVTKQDIUWWVZHM-AWEZNQCLSA-N 0 0 333.344 2.617 10 5 EFBERN C[C@]1(C2CC2)CN(C(=O)CSc2ccccc2[N+](=O)[O-])CCO1 ZINC000597925618 478580027 /nfs/dbraw/zinc/58/00/27/478580027.db2.gz WESILVGFLRKRRZ-MRXNPFEDSA-N 0 0 336.413 2.714 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000597930560 478582349 /nfs/dbraw/zinc/58/23/49/478582349.db2.gz CWYMDMKIBYEOQM-PSASIEDQSA-N 0 0 335.751 2.584 10 5 EFBERN COc1ccc(CNCc2c(C(F)(F)F)cnn2C)cc1[N+](=O)[O-] ZINC000594917185 478583566 /nfs/dbraw/zinc/58/35/66/478583566.db2.gz HRMUYFGCRYCHSM-UHFFFAOYSA-N 0 0 344.293 2.646 10 5 EFBERN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2c[nH]nc2[N+](=O)[O-])CO1 ZINC000597935088 478584582 /nfs/dbraw/zinc/58/45/82/478584582.db2.gz QLULRKXIEIBYJF-ZDUSSCGKSA-N 0 0 344.371 2.528 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3C(C)(C)C2)n1 ZINC000597946058 478589910 /nfs/dbraw/zinc/58/99/10/478589910.db2.gz ZDKGLSQFKIKFLB-UHFFFAOYSA-N 0 0 342.399 2.787 10 5 EFBERN Cc1nn(C)c(C(=O)N2CCc3ccccc3C(C)(C)C2)c1[N+](=O)[O-] ZINC000597947351 478590673 /nfs/dbraw/zinc/59/06/73/478590673.db2.gz GSACIMGSNIAVNR-UHFFFAOYSA-N 0 0 342.399 2.613 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000597952824 478593231 /nfs/dbraw/zinc/59/32/31/478593231.db2.gz XLRVDRHCLLRJGI-NSHDSACASA-N 0 0 331.376 2.730 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(C2CCC2)cc1 ZINC000491605958 478598047 /nfs/dbraw/zinc/59/80/47/478598047.db2.gz AMFVJHGXEIBNRX-UHFFFAOYSA-N 0 0 326.356 2.968 10 5 EFBERN Cc1ccncc1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597977086 478603619 /nfs/dbraw/zinc/60/36/19/478603619.db2.gz CZTRTXDNOHLVCN-LBPRGKRZSA-N 0 0 331.347 2.900 10 5 EFBERN Cc1nn(CCC(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000597977820 478603858 /nfs/dbraw/zinc/60/38/58/478603858.db2.gz CPZKASYYCGCBIX-JYAVWHMHSA-N 0 0 336.436 2.987 10 5 EFBERN C[C@H]1C[C@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000597979062 478604966 /nfs/dbraw/zinc/60/49/66/478604966.db2.gz KNBCORJTVJNLNS-WDNDVIMCSA-N 0 0 347.415 2.513 10 5 EFBERN CC(C)c1ccc(C(=O)N2CC[C@@H](O)C(F)(F)C2)cc1[N+](=O)[O-] ZINC000598002176 478613042 /nfs/dbraw/zinc/61/30/42/478613042.db2.gz WREUAAMFORQMSC-CYBMUJFWSA-N 0 0 328.315 2.560 10 5 EFBERN COC(=O)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000598003376 478614292 /nfs/dbraw/zinc/61/42/92/478614292.db2.gz BHTPFOWWDCKRQI-UHFFFAOYSA-N 0 0 338.335 2.682 10 5 EFBERN COc1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)cc1[N+](=O)[O-] ZINC000563686848 478615650 /nfs/dbraw/zinc/61/56/50/478615650.db2.gz HCUMFQQLKBFVFJ-LBPRGKRZSA-N 0 0 328.324 2.978 10 5 EFBERN C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000598014762 478616409 /nfs/dbraw/zinc/61/64/09/478616409.db2.gz MUZLQMSIEBOOSZ-SNVBAGLBSA-N 0 0 333.369 2.892 10 5 EFBERN C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1nccn1C ZINC000594997120 478622586 /nfs/dbraw/zinc/62/25/86/478622586.db2.gz XYJKQZXIKGYOPX-SECBINFHSA-N 0 0 326.303 2.781 10 5 EFBERN 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EFBERN CCOC(=O)c1cnc2c(cccc2[N+](=O)[O-])c1N1CC[C@H](OC)C1 ZINC000601124327 478672330 /nfs/dbraw/zinc/67/23/30/478672330.db2.gz DNHAXILZRIKYKE-NSHDSACASA-N 0 0 345.355 2.545 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000601125883 478673019 /nfs/dbraw/zinc/67/30/19/478673019.db2.gz KYWQLKZHMCRPFT-CQSZACIVSA-N 0 0 339.367 2.683 10 5 EFBERN COCCN(Cc1ccco1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601129112 478674128 /nfs/dbraw/zinc/67/41/28/478674128.db2.gz APQITCGXCYRNPG-UHFFFAOYSA-N 0 0 348.281 2.593 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCO[C@H]1CC1(F)F ZINC000598139462 478674963 /nfs/dbraw/zinc/67/49/63/478674963.db2.gz MPGCDZNCMZILMQ-JSGCOSHPSA-N 0 0 342.342 2.704 10 5 EFBERN CCS[C@@H](C)c1noc(CN(C)c2ncc(F)cc2[N+](=O)[O-])n1 ZINC000601131311 478675727 /nfs/dbraw/zinc/67/57/27/478675727.db2.gz WCVRHGKCKVUVBR-QMMMGPOBSA-N 0 0 341.368 2.962 10 5 EFBERN Cn1c(C(=O)NCc2cccc(OC3CC3)c2F)ccc1[N+](=O)[O-] ZINC000598140642 478676089 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2.813 10 5 EFBERN CCOC(=O)[C@@]1(CNc2cc(C)sc2[N+](=O)[O-])CCCOC1 ZINC000601244884 478744160 /nfs/dbraw/zinc/74/41/60/478744160.db2.gz WBDJQFGNIQMGOW-CQSZACIVSA-N 0 0 328.390 2.737 10 5 EFBERN CCOC(=O)[C@@]1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCCOC1 ZINC000601244784 478744908 /nfs/dbraw/zinc/74/49/08/478744908.db2.gz TVGLZJQDAILAQE-OAHLLOKOSA-N 0 0 344.314 2.645 10 5 EFBERN CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000595363399 478748371 /nfs/dbraw/zinc/74/83/71/478748371.db2.gz DHUWMVXIVBEKAD-LBPRGKRZSA-N 0 0 332.809 2.961 10 5 EFBERN C[C@H]1SCC[C@@H]1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592024592 478748518 /nfs/dbraw/zinc/74/85/18/478748518.db2.gz PAHSCDSAYCAZHQ-YGRLFVJLSA-N 0 0 348.428 2.812 10 5 EFBERN COc1ccc(CC(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000543500901 478749907 /nfs/dbraw/zinc/74/99/07/478749907.db2.gz VKBGETXDUXWKKZ-ZDUSSCGKSA-N 0 0 348.399 2.564 10 5 EFBERN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598296373 478750605 /nfs/dbraw/zinc/75/06/05/478750605.db2.gz OZBXKQNMLWAHJK-VXGBXAGGSA-N 0 0 344.289 2.647 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000598297966 478751846 /nfs/dbraw/zinc/75/18/46/478751846.db2.gz VFMLHAZBDDTOSE-KGLIPLIRSA-N 0 0 333.388 2.846 10 5 EFBERN C[C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)CC(F)F ZINC000592046006 478755062 /nfs/dbraw/zinc/75/50/62/478755062.db2.gz GSFJTLZISVLHMR-SNVBAGLBSA-N 0 0 343.330 2.659 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000598308999 478759311 /nfs/dbraw/zinc/75/93/11/478759311.db2.gz LYWKVYWAAXAEGF-KBPBESRZSA-N 0 0 336.413 2.740 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000598309003 478759652 /nfs/dbraw/zinc/75/96/52/478759652.db2.gz LYWKVYWAAXAEGF-ZIAGYGMSSA-N 0 0 336.413 2.740 10 5 EFBERN Cc1cccc2c1CCC[C@@H]2NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595396084 478760503 /nfs/dbraw/zinc/76/05/03/478760503.db2.gz XLFLDWPHFZPVEJ-AWEZNQCLSA-N 0 0 347.396 2.654 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598312758 478761680 /nfs/dbraw/zinc/76/16/80/478761680.db2.gz RPQPPQMZCBFOMZ-RYUDHWBXSA-N 0 0 344.289 2.647 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)CC(F)F)c1 ZINC000592066478 478762254 /nfs/dbraw/zinc/76/22/54/478762254.db2.gz ACQGRRGSFUDBDX-SECBINFHSA-N 0 0 336.360 2.781 10 5 EFBERN CC[C@@H](NC(=O)Cc1cnn2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601280955 478763068 /nfs/dbraw/zinc/76/30/68/478763068.db2.gz JVUBYYKJDLHDHU-MRXNPFEDSA-N 0 0 342.399 2.938 10 5 EFBERN COc1ccccc1C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000592070792 478763706 /nfs/dbraw/zinc/76/37/06/478763706.db2.gz XDDJZDILYZCEIF-UHFFFAOYSA-N 0 0 348.380 2.571 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601282763 478764450 /nfs/dbraw/zinc/76/44/50/478764450.db2.gz CTTPEQBNMPMNEU-SNVBAGLBSA-N 0 0 338.335 2.538 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000598322055 478764643 /nfs/dbraw/zinc/76/46/43/478764643.db2.gz KYJNGWOKOWHJHO-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC(C)(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000592073311 478765311 /nfs/dbraw/zinc/76/53/11/478765311.db2.gz DXTQDGWLQSDYIZ-UHFFFAOYSA-N 0 0 334.344 2.569 10 5 EFBERN Cc1cccc(C2(NS(=O)(=O)c3cccnc3[N+](=O)[O-])CCC2)c1 ZINC000592074485 478765442 /nfs/dbraw/zinc/76/54/42/478765442.db2.gz MIZANPJZFQOSDX-UHFFFAOYSA-N 0 0 347.396 2.656 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CC(C)(CC(F)F)C2)c1[N+](=O)[O-] ZINC000592075162 478765572 /nfs/dbraw/zinc/76/55/72/478765572.db2.gz XLCVUYPJFZHRPL-UHFFFAOYSA-N 0 0 348.371 2.877 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601287711 478766348 /nfs/dbraw/zinc/76/63/48/478766348.db2.gz WSOWGVOOEVQDPQ-JTQLQIEISA-N 0 0 341.414 2.532 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000592094703 478770853 /nfs/dbraw/zinc/77/08/53/478770853.db2.gz TYBRHHIKFOFLQK-BNOWGMLFSA-N 0 0 339.417 2.934 10 5 EFBERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592095836 478770946 /nfs/dbraw/zinc/77/09/46/478770946.db2.gz ZXOXBTBEIBQRNO-UPJWGTAASA-N 0 0 325.390 2.625 10 5 EFBERN CC1(C)[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(F)F ZINC000598337733 478773164 /nfs/dbraw/zinc/77/31/64/478773164.db2.gz RVXHIBAHWHXOFO-ZDUSSCGKSA-N 0 0 340.326 2.965 10 5 EFBERN O=C(NCC1CCC(O)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598337728 478773851 /nfs/dbraw/zinc/77/38/51/478773851.db2.gz DBONSOSOWSSMKV-UHFFFAOYSA-N 0 0 346.305 2.895 10 5 EFBERN C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000601299349 478773782 /nfs/dbraw/zinc/77/37/82/478773782.db2.gz PMQFMLYLWSYHQR-MPTQWLOMSA-N 0 0 330.388 2.573 10 5 EFBERN CC1(C)[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1(F)F ZINC000598341348 478774575 /nfs/dbraw/zinc/77/45/75/478774575.db2.gz UCEMRKQLBNEOFA-GFCCVEGCSA-N 0 0 327.331 2.804 10 5 EFBERN COc1ccc(CC(=O)Nc2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000564647348 478776828 /nfs/dbraw/zinc/77/68/28/478776828.db2.gz DUHTXUTXNDMUSY-UHFFFAOYSA-N 0 0 332.360 2.642 10 5 EFBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2CCC(F)CC2)cc1 ZINC000592105851 478779258 /nfs/dbraw/zinc/77/92/58/478779258.db2.gz LDQIVTOXWSOTIJ-UHFFFAOYSA-N 0 0 344.408 2.585 10 5 EFBERN COc1cc(CN[C@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000595433722 478779572 /nfs/dbraw/zinc/77/95/72/478779572.db2.gz PJZMJFJMIVZNLL-GFCCVEGCSA-N 0 0 345.403 2.772 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598347320 478780782 /nfs/dbraw/zinc/78/07/82/478780782.db2.gz BSFYNKQQHQGJMZ-NSHDSACASA-N 0 0 344.371 2.645 10 5 EFBERN Cc1cc(OCC(=O)N2CC3(CCCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000598353565 478783178 /nfs/dbraw/zinc/78/31/78/478783178.db2.gz PUDMVUJQDGPZJD-AWEZNQCLSA-N 0 0 348.399 2.842 10 5 EFBERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000592123940 478784674 /nfs/dbraw/zinc/78/46/74/478784674.db2.gz ZLJUSBNDCFIZFE-JHJVBQTASA-N 0 0 331.372 2.556 10 5 EFBERN CCn1c2ccccc2n(Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O ZINC000564688268 478786908 /nfs/dbraw/zinc/78/69/08/478786908.db2.gz DPSHMPFVUZHXFU-UHFFFAOYSA-N 0 0 327.340 2.788 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])s1 ZINC000601322059 478787112 /nfs/dbraw/zinc/78/71/12/478787112.db2.gz YSUIPAUZLWDBNU-JTQLQIEISA-N 0 0 341.414 2.741 10 5 EFBERN CC(C)(C)OCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543800518 478787271 /nfs/dbraw/zinc/78/72/71/478787271.db2.gz LDYMSJJPIQWGSC-UHFFFAOYSA-N 0 0 332.303 2.741 10 5 EFBERN Cc1sc(C(=O)N2CCOC(C3CC3)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000598364903 478788521 /nfs/dbraw/zinc/78/85/21/478788521.db2.gz SEBYFPLECHJSQU-UHFFFAOYSA-N 0 0 336.413 2.996 10 5 EFBERN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(F)CC1 ZINC000598367299 478790294 /nfs/dbraw/zinc/79/02/94/478790294.db2.gz PHFCACWFIVDGQX-WHXUTIOJSA-N 0 0 338.335 2.970 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595449561 478790408 /nfs/dbraw/zinc/79/04/08/478790408.db2.gz ZKEVTVQPMZONDC-HDICACEKSA-N 0 0 345.399 2.697 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595448069 478790517 /nfs/dbraw/zinc/79/05/17/478790517.db2.gz RBWLTRCUTBHTPC-CYBMUJFWSA-N 0 0 333.388 2.838 10 5 EFBERN O=C(N[C@H]1CC[C@H](CO)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601331760 478790892 /nfs/dbraw/zinc/79/08/92/478790892.db2.gz GPPRUEMNUYUJCV-CTYIDZIISA-N 0 0 332.400 2.684 10 5 EFBERN COc1ccc(CNC(=O)NC[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000595452153 478792109 /nfs/dbraw/zinc/79/21/09/478792109.db2.gz YULJUYXFCRCIFS-LBPRGKRZSA-N 0 0 343.330 2.694 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595450837 478792633 /nfs/dbraw/zinc/79/26/33/478792633.db2.gz DOTBXDVGUXFZRB-ZDUSSCGKSA-N 0 0 333.388 2.838 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595450836 478792817 /nfs/dbraw/zinc/79/28/17/478792817.db2.gz DOTBXDVGUXFZRB-CYBMUJFWSA-N 0 0 333.388 2.838 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000598378032 478795601 /nfs/dbraw/zinc/79/56/01/478795601.db2.gz DZRSHZZESGKODI-OAHLLOKOSA-N 0 0 340.383 2.649 10 5 EFBERN CC(C)[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000598381364 478796245 /nfs/dbraw/zinc/79/62/45/478796245.db2.gz LFJLBPGJHOVWEV-MRXNPFEDSA-N 0 0 328.372 2.945 10 5 EFBERN COC(=O)c1cc(C(=O)NC(C)(C2CC2)C2CC2)cc([N+](=O)[O-])c1 ZINC000598381700 478796363 /nfs/dbraw/zinc/79/63/63/478796363.db2.gz RQZKMXNRTZEQBG-UHFFFAOYSA-N 0 0 332.356 2.690 10 5 EFBERN CSCC[C@@H](C)N(C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601349477 478797925 /nfs/dbraw/zinc/79/79/25/478797925.db2.gz CZOBOVSYDDTMJB-MRVPVSSYSA-N 0 0 338.476 2.727 10 5 EFBERN CC1(C)[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000595463782 478799672 /nfs/dbraw/zinc/79/96/72/478799672.db2.gz CITBNHJPMLBPFA-GFCCVEGCSA-N 0 0 327.331 2.728 10 5 EFBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2COC[C@H]2C1 ZINC000598391120 478800387 /nfs/dbraw/zinc/80/03/87/478800387.db2.gz BEXHVBHPNLJEHC-VHSXEESVSA-N 0 0 344.289 2.722 10 5 EFBERN Cn1ncc(C2CCC2)c1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595465792 478800459 /nfs/dbraw/zinc/80/04/59/478800459.db2.gz IENFYHYHUXOXNG-UHFFFAOYSA-N 0 0 343.387 2.595 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000595474513 478804828 /nfs/dbraw/zinc/80/48/28/478804828.db2.gz VNLQLGZWJVAUHY-LBPRGKRZSA-N 0 0 343.330 2.694 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H](C2CCC2)C1 ZINC000598397848 478804977 /nfs/dbraw/zinc/80/49/77/478804977.db2.gz BNLLTHUDAFKGHC-GFCCVEGCSA-N 0 0 332.356 2.976 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1csc(-c2ccccn2)n1 ZINC000544055748 478805495 /nfs/dbraw/zinc/80/54/95/478805495.db2.gz BZIKEGGTMMQKDU-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN CNc1ccc(C(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000598400488 478805619 /nfs/dbraw/zinc/80/56/19/478805619.db2.gz OLYVXOMRGMWGKK-UHFFFAOYSA-N 0 0 330.344 2.644 10 5 EFBERN Cn1c(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)ccc1[N+](=O)[O-] ZINC000598401560 478807179 /nfs/dbraw/zinc/80/71/79/478807179.db2.gz UOIYWAAKUHPYSG-LBPRGKRZSA-N 0 0 337.282 2.972 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595476792 478807853 /nfs/dbraw/zinc/80/78/53/478807853.db2.gz PRWCJPOCRHRLKO-ZDUSSCGKSA-N 0 0 333.388 2.838 10 5 EFBERN Cn1cc(-c2noc(C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)cn1 ZINC000601373118 478808035 /nfs/dbraw/zinc/80/80/35/478808035.db2.gz PJWQFYLYIPRBAB-UHFFFAOYSA-N 0 0 325.328 2.848 10 5 EFBERN COC(=O)C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595479201 478808664 /nfs/dbraw/zinc/80/86/64/478808664.db2.gz DNOPIFQBPBJKOG-BXUZGUMPSA-N 0 0 349.387 2.544 10 5 EFBERN CCO[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1SC ZINC000592165993 478810611 /nfs/dbraw/zinc/81/06/11/478810611.db2.gz FAUXTUOKMJQCBC-KYOSRNDESA-N 0 0 337.401 2.735 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOc2ccc(O)cc2C1 ZINC000598427880 478818097 /nfs/dbraw/zinc/81/80/97/478818097.db2.gz YGMHALZSIMWXDQ-UHFFFAOYSA-N 0 0 342.351 2.952 10 5 EFBERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000598430600 478820364 /nfs/dbraw/zinc/82/03/64/478820364.db2.gz NWGQGLPAENAMMA-BETUJISGSA-N 0 0 348.399 2.916 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC3(CCC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601403726 478821679 /nfs/dbraw/zinc/82/16/79/478821679.db2.gz OKLFXLKFPYXPIL-VIFPVBQESA-N 0 0 330.431 2.918 10 5 EFBERN CSC1(CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601405666 478823362 /nfs/dbraw/zinc/82/33/62/478823362.db2.gz SDBWKHXUWJWUQU-UHFFFAOYSA-N 0 0 336.460 2.529 10 5 EFBERN CO[C@@]1(C)CCCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601407627 478823402 /nfs/dbraw/zinc/82/34/02/478823402.db2.gz ZFLSQPGMJUTWGF-ZDUSSCGKSA-N 0 0 348.446 2.544 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])s1 ZINC000601407772 478823560 /nfs/dbraw/zinc/82/35/60/478823560.db2.gz DXFSLXNTVRXKLA-QMMMGPOBSA-N 0 0 340.373 2.678 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c([N+](=O)[O-])s1 ZINC000601411101 478824954 /nfs/dbraw/zinc/82/49/54/478824954.db2.gz ZDTIHRCWOJDPCY-MRVPVSSYSA-N 0 0 340.373 2.773 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000598438765 478825760 /nfs/dbraw/zinc/82/57/60/478825760.db2.gz ZOGWOPNOMXWIDQ-AWEZNQCLSA-N 0 0 347.415 2.588 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601416139 478825980 /nfs/dbraw/zinc/82/59/80/478825980.db2.gz MGYKCSOYNKGVHK-LBPRGKRZSA-N 0 0 342.442 2.918 10 5 EFBERN CC(C)[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601413706 478826013 /nfs/dbraw/zinc/82/60/13/478826013.db2.gz GTTMXIRQCXPILO-MRXNPFEDSA-N 0 0 332.400 2.900 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601417379 478826871 /nfs/dbraw/zinc/82/68/71/478826871.db2.gz RGUAOPYAMZATPY-LLVKDONJSA-N 0 0 330.431 2.775 10 5 EFBERN CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000592213618 478828415 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CNc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000598457496 478834080 /nfs/dbraw/zinc/83/40/80/478834080.db2.gz NIKFEIHWZUFQFX-XOKHGSTOSA-N 0 0 341.342 2.844 10 5 EFBERN Cc1nn(CCC(=O)N(CCC2CC2)CC2CC2)c(C)c1[N+](=O)[O-] ZINC000598466832 478837851 /nfs/dbraw/zinc/83/78/51/478837851.db2.gz WVKVXCPGFJUNSA-UHFFFAOYSA-N 0 0 334.420 2.837 10 5 EFBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1nccn1C ZINC000598465401 478838130 /nfs/dbraw/zinc/83/81/30/478838130.db2.gz RFDWRUFMUQXFBB-QMMMGPOBSA-N 0 0 342.277 2.838 10 5 EFBERN Cc1ccc(CN(CC2CC2)C(=O)Nc2ccncc2[N+](=O)[O-])cn1 ZINC000592246394 478839573 /nfs/dbraw/zinc/83/95/73/478839573.db2.gz MEBMQSANCCLDQK-UHFFFAOYSA-N 0 0 341.371 2.559 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC(C)(CC(F)F)C2)c([N+](=O)[O-])s1 ZINC000601452366 478840209 /nfs/dbraw/zinc/84/02/09/478840209.db2.gz RFYOGEHIFAJUHV-UHFFFAOYSA-N 0 0 340.373 2.631 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])s1 ZINC000601452719 478840232 /nfs/dbraw/zinc/84/02/32/478840232.db2.gz AKJJNGLPMPPTFO-NSHDSACASA-N 0 0 348.446 2.543 10 5 EFBERN Cc1sc(C(=O)NC[C@H](O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000598472009 478841137 /nfs/dbraw/zinc/84/11/37/478841137.db2.gz DXTXITDVBPVTGK-HZMBPMFUSA-N 0 0 334.397 2.859 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCc2c(C)cccc21 ZINC000598471322 478841450 /nfs/dbraw/zinc/84/14/50/478841450.db2.gz CESYBROHCSBOLX-HNNXBMFYSA-N 0 0 328.372 2.602 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592248954 478841545 /nfs/dbraw/zinc/84/15/45/478841545.db2.gz XRBHODOMJOOKKN-OAHLLOKOSA-N 0 0 325.365 2.666 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000601460595 478843873 /nfs/dbraw/zinc/84/38/73/478843873.db2.gz JQCCXLMCWATAGB-MNOVXSKESA-N 0 0 348.446 2.591 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595544212 478845055 /nfs/dbraw/zinc/84/50/55/478845055.db2.gz NIEYVBJSDPPHGW-NEPJUHHUSA-N 0 0 331.376 2.758 10 5 EFBERN O=C(N1CCO[C@@H](C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601464640 478845529 /nfs/dbraw/zinc/84/55/29/478845529.db2.gz LUGVLROFSIQVEM-MRXNPFEDSA-N 0 0 330.384 2.654 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OC[C@H](O)COc2ccc(C)cc2)c1 ZINC000572483707 478847667 /nfs/dbraw/zinc/84/76/67/478847667.db2.gz NZAGBMLXBUZSTM-CYBMUJFWSA-N 0 0 333.340 2.731 10 5 EFBERN Cc1cccc2c1CCC[C@@H]2NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598479821 478847657 /nfs/dbraw/zinc/84/76/57/478847657.db2.gz UVHUCGQYQWKERE-AWEZNQCLSA-N 0 0 327.340 2.811 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)[C@@H](C)c1ccccc1 ZINC000598479628 478847959 /nfs/dbraw/zinc/84/79/59/478847959.db2.gz UGIYQWNMUHPLHP-GUYCJALGSA-N 0 0 328.368 2.798 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCc2ccccc2C1 ZINC000503960895 478848790 /nfs/dbraw/zinc/84/87/90/478848790.db2.gz GNGUBLMNARHHDH-HNNXBMFYSA-N 0 0 346.408 2.739 10 5 EFBERN Cc1noc(CN2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595550759 478849172 /nfs/dbraw/zinc/84/91/72/478849172.db2.gz UHCLQZCJMLFDIU-GWCFXTLKSA-N 0 0 339.392 2.833 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595550596 478849497 /nfs/dbraw/zinc/84/94/97/478849497.db2.gz VSZCSVPRBMQDOT-GXFFZTMASA-N 0 0 343.330 2.688 10 5 EFBERN Cc1nn(C)c(C(=O)N[C@@H]2CCCc3c(C)cccc32)c1[N+](=O)[O-] ZINC000598481328 478849635 /nfs/dbraw/zinc/84/96/35/478849635.db2.gz XLRATANXXCOEKK-CQSZACIVSA-N 0 0 328.372 2.753 10 5 EFBERN CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccco1 ZINC000601481655 478850640 /nfs/dbraw/zinc/85/06/40/478850640.db2.gz HQBMBMMRGVSXOV-AWEZNQCLSA-N 0 0 336.369 2.960 10 5 EFBERN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000598484863 478853182 /nfs/dbraw/zinc/85/31/82/478853182.db2.gz QQZZFZWSCWUGHT-SWLSCSKDSA-N 0 0 340.401 2.816 10 5 EFBERN CCOC(=O)[C@@H](NCc1onc(C)c1[N+](=O)[O-])C1CCCCCC1 ZINC000595560719 478855936 /nfs/dbraw/zinc/85/59/36/478855936.db2.gz DFURBYRESYRERQ-AWEZNQCLSA-N 0 0 339.392 2.883 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)CC(F)F ZINC000592296926 478856116 /nfs/dbraw/zinc/85/61/16/478856116.db2.gz FLHHXFVTALKWBF-QMMMGPOBSA-N 0 0 343.330 2.558 10 5 EFBERN Cc1noc(CN2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595561126 478856669 /nfs/dbraw/zinc/85/66/69/478856669.db2.gz ZYAZGRPFAQZNRN-MWLCHTKSSA-N 0 0 325.365 2.586 10 5 EFBERN O=[N+]([O-])c1cc(F)c(CN2CCO[C@]3(CCSC3)C2)c(F)c1 ZINC000564916384 478857875 /nfs/dbraw/zinc/85/78/75/478857875.db2.gz BGGIMTFCPOXMHM-CQSZACIVSA-N 0 0 330.356 2.581 10 5 EFBERN CC(C)[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595565251 478859193 /nfs/dbraw/zinc/85/91/93/478859193.db2.gz DHLQCPZTPWHPKO-OAHLLOKOSA-N 0 0 349.366 2.627 10 5 EFBERN CO[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@@H]1C ZINC000601513880 478861059 /nfs/dbraw/zinc/86/10/59/478861059.db2.gz HFDUJJKIDSEZOH-BBRMVZONSA-N 0 0 332.400 2.900 10 5 EFBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1noc3c1CCCC3)CCCC2 ZINC000592360487 478866205 /nfs/dbraw/zinc/86/62/05/478866205.db2.gz RTJQHEDRDZKLDS-UHFFFAOYSA-N 0 0 329.356 2.550 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000598507329 478868732 /nfs/dbraw/zinc/86/87/32/478868732.db2.gz KXUASIUIIDHXIP-JOYOIKCWSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000598508379 478869409 /nfs/dbraw/zinc/86/94/09/478869409.db2.gz PNUWPRYABUWRRC-GXFFZTMASA-N 0 0 346.305 2.706 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000598508381 478869429 /nfs/dbraw/zinc/86/94/29/478869429.db2.gz PNUWPRYABUWRRC-ZWNOBZJWSA-N 0 0 346.305 2.706 10 5 EFBERN Cc1c(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)cccc1[N+](=O)[O-] ZINC000595588437 478871396 /nfs/dbraw/zinc/87/13/96/478871396.db2.gz QRWKYNKJLATULE-GFCCVEGCSA-N 0 0 327.331 2.994 10 5 EFBERN C[C@@H](C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598512427 478873077 /nfs/dbraw/zinc/87/30/77/478873077.db2.gz SEYBQXSHIZTPCN-ZWNOBZJWSA-N 0 0 346.305 2.878 10 5 EFBERN Cc1c(CC(=O)N2CCO[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000598513227 478874210 /nfs/dbraw/zinc/87/42/10/478874210.db2.gz ZFSRCHSNYVHXAY-LBPRGKRZSA-N 0 0 346.305 2.626 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601556154 478877580 /nfs/dbraw/zinc/87/75/80/478877580.db2.gz RBAICBXMUIIKTF-CVEARBPZSA-N 0 0 333.388 2.742 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1CCOC2 ZINC000601560667 478879990 /nfs/dbraw/zinc/87/99/90/478879990.db2.gz JEKAWFROGCSXOQ-UHFFFAOYSA-N 0 0 341.367 2.667 10 5 EFBERN Cc1c(CC(=O)N[C@@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000598540650 478886471 /nfs/dbraw/zinc/88/64/71/478886471.db2.gz RJSGRBVUFYYFEP-SCLBCKFNSA-N 0 0 328.368 2.684 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598540726 478887114 /nfs/dbraw/zinc/88/71/14/478887114.db2.gz FKJUJUVSQBNKDI-HDICACEKSA-N 0 0 330.384 2.936 10 5 EFBERN Cc1c(-c2noc(-c3cn(C4CCC4)nn3)n2)cccc1[N+](=O)[O-] ZINC000592412222 478887909 /nfs/dbraw/zinc/88/79/09/478887909.db2.gz CBONSTULQDTTGX-UHFFFAOYSA-N 0 0 326.316 2.937 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000598544430 478888650 /nfs/dbraw/zinc/88/86/50/478888650.db2.gz XIKZNUPGSQKDNR-HDICACEKSA-N 0 0 346.383 2.636 10 5 EFBERN C[C@@H](c1nc(COC[C@@H]2CCOC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000592418319 478889226 /nfs/dbraw/zinc/88/92/26/478889226.db2.gz FWDDPMBZNOBFMU-VXGBXAGGSA-N 0 0 333.344 2.683 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601584817 478890965 /nfs/dbraw/zinc/89/09/65/478890965.db2.gz ZBLPRJSTYIINNK-DLBZAZTESA-N 0 0 347.415 2.784 10 5 EFBERN O=C(N[C@@H](CO)C1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601587731 478892376 /nfs/dbraw/zinc/89/23/76/478892376.db2.gz JDYPHIAQMJRQAY-INIZCTEOSA-N 0 0 332.400 2.684 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CCCCC1 ZINC000506257410 478895389 /nfs/dbraw/zinc/89/53/89/478895389.db2.gz YAXVEQSSDGUTMH-UHFFFAOYSA-N 0 0 342.417 2.852 10 5 EFBERN C[C@H](C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598562232 478896581 /nfs/dbraw/zinc/89/65/81/478896581.db2.gz CMKPKOMOQPOOFZ-GDLVEWKHSA-N 0 0 342.342 2.969 10 5 EFBERN Cc1c(CC(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598563237 478897209 /nfs/dbraw/zinc/89/72/09/478897209.db2.gz GBTAZWXDCFOIDX-MGPLVRAMSA-N 0 0 342.342 2.717 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598570244 478902544 /nfs/dbraw/zinc/90/25/44/478902544.db2.gz CVBPOCCZETZPEU-WOSRLPQWSA-N 0 0 340.326 2.581 10 5 EFBERN CNc1ccc(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598571284 478902766 /nfs/dbraw/zinc/90/27/66/478902766.db2.gz MGKQKZKXBJUBBS-VFZGTOFNSA-N 0 0 343.330 2.521 10 5 EFBERN Cc1cc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000598573350 478903388 /nfs/dbraw/zinc/90/33/88/478903388.db2.gz QRZIMILGGKNLGN-MEBBXXQBSA-N 0 0 328.315 2.788 10 5 EFBERN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000592462525 478903603 /nfs/dbraw/zinc/90/36/03/478903603.db2.gz BPHPJAAIXGJECS-UHFFFAOYSA-N 0 0 337.376 2.507 10 5 EFBERN CSc1cccc(C(=O)N2CCO[C@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000598573630 478903831 /nfs/dbraw/zinc/90/38/31/478903831.db2.gz QPDZCCWUWKFIKW-AWEZNQCLSA-N 0 0 346.355 2.813 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000598573946 478904628 /nfs/dbraw/zinc/90/46/28/478904628.db2.gz RTOYEIXBPVBUQE-PSLIRLAXSA-N 0 0 346.305 2.548 10 5 EFBERN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]1C(F)F ZINC000601608077 478905164 /nfs/dbraw/zinc/90/51/64/478905164.db2.gz RIGCRLHVMZIMCO-LBPRGKRZSA-N 0 0 325.315 2.675 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCO2 ZINC000598575557 478905149 /nfs/dbraw/zinc/90/51/49/478905149.db2.gz JHTSZQZMPULSHH-LLVKDONJSA-N 0 0 327.340 2.806 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000601609800 478906050 /nfs/dbraw/zinc/90/60/50/478906050.db2.gz HNZXYFJQTMIRAM-UXIGCNINSA-N 0 0 336.363 2.890 10 5 EFBERN Nc1c(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000598577673 478906945 /nfs/dbraw/zinc/90/69/45/478906945.db2.gz ZMKFQIWABDWWTK-MRXNPFEDSA-N 0 0 338.367 2.939 10 5 EFBERN CC(C)(CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000598581014 478909725 /nfs/dbraw/zinc/90/97/25/478909725.db2.gz GASSRXIVRJSAJG-UHFFFAOYSA-N 0 0 336.314 2.621 10 5 EFBERN COC(=O)c1ccnc(N(C)CCOc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000598585841 478912303 /nfs/dbraw/zinc/91/23/03/478912303.db2.gz LBCCVRGCCUUYGR-UHFFFAOYSA-N 0 0 345.355 2.600 10 5 EFBERN COC(=O)c1ccnc(N(C)CCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000598589961 478914097 /nfs/dbraw/zinc/91/40/97/478914097.db2.gz WFJYXMUKJBFQJM-UHFFFAOYSA-N 0 0 333.319 2.594 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C(F)F ZINC000507305109 478915876 /nfs/dbraw/zinc/91/58/76/478915876.db2.gz NLNQFBIDIATIBJ-ZDUSSCGKSA-N 0 0 327.331 2.967 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000598596367 478918759 /nfs/dbraw/zinc/91/87/59/478918759.db2.gz OWRVVZQTIRYUPR-LBPRGKRZSA-N 0 0 327.340 2.918 10 5 EFBERN CCO[C@H](CCNc1nccc(C(=O)OC)c1[N+](=O)[O-])C(C)C ZINC000598602430 478922332 /nfs/dbraw/zinc/92/23/32/478922332.db2.gz NYGUSRAAJTUIGA-GFCCVEGCSA-N 0 0 325.365 2.640 10 5 EFBERN CCC1(CC)[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1OC ZINC000598609782 478924450 /nfs/dbraw/zinc/92/44/50/478924450.db2.gz VEAFSJPACRZVFF-VXGBXAGGSA-N 0 0 337.376 2.782 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613004 478926754 /nfs/dbraw/zinc/92/67/54/478926754.db2.gz UREIQWPEDWIWEG-GOSISDBHSA-N 0 0 341.367 2.944 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CC[C@H](Nc3ncccn3)C2)c(Cl)c1 ZINC000592517153 478926739 /nfs/dbraw/zinc/92/67/39/478926739.db2.gz TZOKAXKAWSEYAL-LBPRGKRZSA-N 0 0 333.779 2.725 10 5 EFBERN CO[C@H](C)CN(C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598612775 478926883 /nfs/dbraw/zinc/92/68/83/478926883.db2.gz SOXRVZDKZLWMIZ-GFCCVEGCSA-N 0 0 344.433 2.646 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2CCO[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000598615169 478926997 /nfs/dbraw/zinc/92/69/97/478926997.db2.gz VXZRHICFWZRVSW-NEPJUHHUSA-N 0 0 337.376 2.782 10 5 EFBERN C[C@H]1CCC[C@](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000507527364 478926954 /nfs/dbraw/zinc/92/69/54/478926954.db2.gz FQYGHJHQDWOBLB-SJCJKPOMSA-N 0 0 335.404 2.541 10 5 EFBERN Cc1ccc(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)c(C)c1[N+](=O)[O-] ZINC000598618026 478928013 /nfs/dbraw/zinc/92/80/13/478928013.db2.gz KHMSWADSJMQQGN-NSHDSACASA-N 0 0 348.371 2.781 10 5 EFBERN Cc1ccc(S(=O)(=O)NC[C@H](C)c2ccccn2)c(C)c1[N+](=O)[O-] ZINC000598617036 478928445 /nfs/dbraw/zinc/92/84/45/478928445.db2.gz HCSMQMUUAAVXSN-LBPRGKRZSA-N 0 0 349.412 2.689 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H]2CC2(F)F)c1 ZINC000598620618 478929588 /nfs/dbraw/zinc/92/95/88/478929588.db2.gz CSFSSAUVRBQMPS-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN COC(=O)c1ccnc(NC[C@](C)(O)C2CCCCC2)c1[N+](=O)[O-] ZINC000598621517 478929747 /nfs/dbraw/zinc/92/97/47/478929747.db2.gz VDPNMVPZQCCTDS-INIZCTEOSA-N 0 0 337.376 2.520 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@@H]2CC2(F)F)c1 ZINC000598620620 478930251 /nfs/dbraw/zinc/93/02/51/478930251.db2.gz CSFSSAUVRBQMPS-SNVBAGLBSA-N 0 0 334.344 2.535 10 5 EFBERN COC(=O)c1ccnc(N2Cc3ccccc3C3(CC3)C2)c1[N+](=O)[O-] ZINC000598620557 478930490 /nfs/dbraw/zinc/93/04/90/478930490.db2.gz YKNIVPQUYWZITA-UHFFFAOYSA-N 0 0 339.351 2.828 10 5 EFBERN O=C(NCc1nc2ccccc2n1C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000545370967 478930768 /nfs/dbraw/zinc/93/07/68/478930768.db2.gz KHOOVHMHMOTZBA-UHFFFAOYSA-N 0 0 337.339 2.604 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CC2(F)F)cc1C ZINC000598623565 478931206 /nfs/dbraw/zinc/93/12/06/478931206.db2.gz YBYVYDYYFUQBPP-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000598625643 478931929 /nfs/dbraw/zinc/93/19/29/478931929.db2.gz RMIQWKBCHOCMST-IONNQARKSA-N 0 0 333.266 2.554 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC000601657242 478933297 /nfs/dbraw/zinc/93/32/97/478933297.db2.gz HYNUNYZDMHAAAY-INIZCTEOSA-N 0 0 325.368 2.939 10 5 EFBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000583758626 478933882 /nfs/dbraw/zinc/93/38/82/478933882.db2.gz QDTSXUJUUKONGZ-PWSUYJOCSA-N 0 0 326.418 2.844 10 5 EFBERN COC(=O)c1ccnc(N2CCC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000598632834 478934572 /nfs/dbraw/zinc/93/45/72/478934572.db2.gz FTYYHNHEBITJKY-LBPRGKRZSA-N 0 0 342.355 2.555 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000598632769 478934897 /nfs/dbraw/zinc/93/48/97/478934897.db2.gz APOKAWMOLLUCPK-CYBMUJFWSA-N 0 0 337.376 2.784 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000601661080 478935469 /nfs/dbraw/zinc/93/54/69/478935469.db2.gz VDOKBZSUYQHNPS-CQSZACIVSA-N 0 0 326.356 2.713 10 5 EFBERN COC(=O)c1ccnc(N2CCC(c3ccco3)CC2)c1[N+](=O)[O-] ZINC000598634285 478935473 /nfs/dbraw/zinc/93/54/73/478935473.db2.gz QESWCELMCLTDHE-UHFFFAOYSA-N 0 0 331.328 2.753 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N2C[C@]3(C)COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595688918 478937516 /nfs/dbraw/zinc/93/75/16/478937516.db2.gz KNUBHJRXSHPDMF-DOPJRALCSA-N 0 0 347.415 2.589 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC[C@H]2CC2(F)F)s1 ZINC000598636432 478937640 /nfs/dbraw/zinc/93/76/40/478937640.db2.gz IQPCKHHXPUVKLC-LURJTMIESA-N 0 0 326.346 2.517 10 5 EFBERN O=C(c1ccc2c(c1)CCCN2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592563460 478943412 /nfs/dbraw/zinc/94/34/12/478943412.db2.gz XOVPLGVETYFJJV-UHFFFAOYSA-N 0 0 338.367 2.546 10 5 EFBERN NC(=O)c1ccc(CN[C@@H](C(F)F)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000598650448 478946420 /nfs/dbraw/zinc/94/64/20/478946420.db2.gz RGJCYRDUKSJKOE-CQSZACIVSA-N 0 0 341.358 2.997 10 5 EFBERN O=C(Nc1cnn(CCF)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601683419 478949515 /nfs/dbraw/zinc/94/95/15/478949515.db2.gz PTXLHZQUBYJYFE-UHFFFAOYSA-N 0 0 332.335 2.821 10 5 EFBERN CN1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1(C)C ZINC000565204039 478949535 /nfs/dbraw/zinc/94/95/35/478949535.db2.gz LOLPHUJXPYQTRU-UHFFFAOYSA-N 0 0 349.434 2.848 10 5 EFBERN O=C(N[C@H]1CO[C@H](C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601685473 478951797 /nfs/dbraw/zinc/95/17/97/478951797.db2.gz RDBJALPQXJOTCQ-ZBFHGGJFSA-N 0 0 330.384 2.700 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595710323 478951881 /nfs/dbraw/zinc/95/18/81/478951881.db2.gz QKOMCEHOQOVGGL-ZDUSSCGKSA-N 0 0 349.435 2.646 10 5 EFBERN O=C(COc1ccccc1)N1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000509479017 478951839 /nfs/dbraw/zinc/95/18/39/478951839.db2.gz MCCVPBQXWRKOEM-CQSZACIVSA-N 0 0 341.367 2.687 10 5 EFBERN CCC(C)(C)[C@@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595712246 478953263 /nfs/dbraw/zinc/95/32/63/478953263.db2.gz ITGQHLDINUCIKU-GFCCVEGCSA-N 0 0 337.424 2.963 10 5 EFBERN O=C(N1C[C@@H]2CCC[C@]2(CO)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601687040 478953935 /nfs/dbraw/zinc/95/39/35/478953935.db2.gz YWNYVWRJXWUVTA-MAUKXSAKSA-N 0 0 344.411 2.638 10 5 EFBERN CC[C@@H](NC(=O)c1cn(C2CCC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592603991 478959757 /nfs/dbraw/zinc/95/97/57/478959757.db2.gz WMSRFDWBCOJILD-CQSZACIVSA-N 0 0 329.360 2.792 10 5 EFBERN Cc1ccncc1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595728176 478960383 /nfs/dbraw/zinc/96/03/83/478960383.db2.gz KYDZCXLLFWELTO-UHFFFAOYSA-N 0 0 328.372 2.682 10 5 EFBERN COc1ccc(COc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000565242872 478960411 /nfs/dbraw/zinc/96/04/11/478960411.db2.gz TWYMBFPOBCTGHN-UHFFFAOYSA-N 0 0 331.250 2.935 10 5 EFBERN CCCc1cc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[nH][nH]1 ZINC000545857680 478961271 /nfs/dbraw/zinc/96/12/71/478961271.db2.gz SETZMZKLFXPJHS-UHFFFAOYSA-N 0 0 334.351 2.748 10 5 EFBERN O=C(N[C@H]1CCCC12CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601703103 478961966 /nfs/dbraw/zinc/96/19/66/478961966.db2.gz DBZHIRXJMYZSCH-HNNXBMFYSA-N 0 0 326.356 2.843 10 5 EFBERN CO[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)C1CCCC1 ZINC000598680605 478966834 /nfs/dbraw/zinc/96/68/34/478966834.db2.gz GVHXUULYCKTNSA-INIZCTEOSA-N 0 0 344.371 2.551 10 5 EFBERN CC(C)(C)CN1CCC[C@H](N2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000545894730 478968788 /nfs/dbraw/zinc/96/87/88/478968788.db2.gz RJPOMXHYYVQPCH-KRWDZBQOSA-N 0 0 345.443 2.990 10 5 EFBERN O=C(N=c1ccn(C2CCSCC2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000601714939 478969943 /nfs/dbraw/zinc/96/99/43/478969943.db2.gz GNFGAVOZAKUFFN-UHFFFAOYSA-N 0 0 332.385 2.534 10 5 EFBERN CNc1nccc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000601715505 478970502 /nfs/dbraw/zinc/97/05/02/478970502.db2.gz UHXIUVUFFMQIDD-LBPRGKRZSA-N 0 0 340.383 2.899 10 5 EFBERN Cc1nc(C)c(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)nc1C ZINC000545922256 478974921 /nfs/dbraw/zinc/97/49/21/478974921.db2.gz UHEPVPFSVFBMPT-UHFFFAOYSA-N 0 0 326.356 2.509 10 5 EFBERN CC[C@H](NC(=O)NCCO[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595752003 478976082 /nfs/dbraw/zinc/97/60/82/478976082.db2.gz IAYZUMARWHJMMW-QWHCGFSZSA-N 0 0 343.330 2.769 10 5 EFBERN C[C@]12COC[C@H]1CN(Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000595759458 478979823 /nfs/dbraw/zinc/97/98/23/478979823.db2.gz QIHPJPOWUHOZOA-RISCZKNCSA-N 0 0 341.205 2.826 10 5 EFBERN CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000601744574 478981477 /nfs/dbraw/zinc/98/14/77/478981477.db2.gz NNAJIRUPNAPLCG-UHFFFAOYSA-N 0 0 347.415 2.781 10 5 EFBERN COC(=O)[C@](C)(CCF)NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000595770383 478986758 /nfs/dbraw/zinc/98/67/58/478986758.db2.gz RRIGQQSQRIPRAR-INIZCTEOSA-N 0 0 342.367 2.763 10 5 EFBERN [NH3+]C[C@@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000565363120 478989078 /nfs/dbraw/zinc/98/90/78/478989078.db2.gz GIWMMNRQVUAURX-GOSISDBHSA-N 0 0 327.384 2.532 10 5 EFBERN Cn1c(C(=O)NCC[C@@H]2CSc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000592672758 478991416 /nfs/dbraw/zinc/99/14/16/478991416.db2.gz JYPKIPRMZQFHJD-LLVKDONJSA-N 0 0 347.396 2.607 10 5 EFBERN COCC1(C2CC2)CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000601768542 478992338 /nfs/dbraw/zinc/99/23/38/478992338.db2.gz POHQIFXBFYBMJO-UHFFFAOYSA-N 0 0 332.400 2.757 10 5 EFBERN COCC1(C2CC2)CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000601770857 478994098 /nfs/dbraw/zinc/99/40/98/478994098.db2.gz ZNEHVLYZSZFIIO-UHFFFAOYSA-N 0 0 336.413 2.815 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@]1(C)CC1(F)F ZINC000595782190 478994296 /nfs/dbraw/zinc/99/42/96/478994296.db2.gz KKYUOIDQKZYPGK-AWEZNQCLSA-N 0 0 327.331 2.824 10 5 EFBERN COCC1(C2CC2)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000601773264 478995386 /nfs/dbraw/zinc/99/53/86/478995386.db2.gz JAUIGEOJGGAHSX-JKSUJKDBSA-N 0 0 330.384 2.583 10 5 EFBERN C[C@](CO)(NC(=O)c1cccc2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601775604 478995957 /nfs/dbraw/zinc/99/59/57/478995957.db2.gz GGXVFNBNMMBXEM-LJQANCHMSA-N 0 0 340.379 2.721 10 5 EFBERN O=C(N[C@@]12C[C@@H]1CCCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601774375 478995999 /nfs/dbraw/zinc/99/59/99/478995999.db2.gz MMBRBVAAKOVTSY-SJCJKPOMSA-N 0 0 326.356 2.843 10 5 EFBERN C[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000601776148 478996079 /nfs/dbraw/zinc/99/60/79/478996079.db2.gz HDDHOKDNGIXZJO-MEDUHNTESA-N 0 0 334.397 2.784 10 5 EFBERN O=C(N[C@]12C[C@H]1CCCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000601776099 478996089 /nfs/dbraw/zinc/99/60/89/478996089.db2.gz PWYAPWUFXVBXKQ-CXAGYDPISA-N 0 0 326.356 2.843 10 5 EFBERN C[C@@H]1CCC[C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000595784228 478996480 /nfs/dbraw/zinc/99/64/80/478996480.db2.gz SEBNIZPTUXICBP-UKRRQHHQSA-N 0 0 335.404 2.736 10 5 EFBERN C[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000601776299 478996839 /nfs/dbraw/zinc/99/68/39/478996839.db2.gz IMRJUBPJKBKVEQ-ZBEGNZNMSA-N 0 0 334.397 2.784 10 5 EFBERN COCC1(C2CC2)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601776642 478997466 /nfs/dbraw/zinc/99/74/66/478997466.db2.gz RAJAFJXKCIJDQU-UHFFFAOYSA-N 0 0 344.411 2.902 10 5 EFBERN Cc1ccc(F)c(CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601778580 478998659 /nfs/dbraw/zinc/99/86/59/478998659.db2.gz NLDNXXMCEFQFMU-GOSISDBHSA-N 0 0 346.358 2.609 10 5 EFBERN C[C@](CO)(NC(=O)c1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601779323 478999823 /nfs/dbraw/zinc/99/98/23/478999823.db2.gz PKCQQPAIULBZPV-LJQANCHMSA-N 0 0 340.379 2.721 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000592691066 479000052 /nfs/dbraw/zinc/00/00/52/479000052.db2.gz WFIIBHDDUCWXLY-VIFPVBQESA-N 0 0 328.390 2.672 10 5 EFBERN CC(C)CCSCC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601779329 479000398 /nfs/dbraw/zinc/00/03/98/479000398.db2.gz PNGICFZPWBCYCG-INIZCTEOSA-N 0 0 340.445 2.698 10 5 EFBERN C[C@](CO)(NC(=O)[C@@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000601780616 479000963 /nfs/dbraw/zinc/00/09/63/479000963.db2.gz SRPHDGNVZLAUSW-ZBIUXTHTSA-N 0 0 332.400 2.745 10 5 EFBERN CCCCS[C@H](C)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601782646 479002481 /nfs/dbraw/zinc/00/24/81/479002481.db2.gz YZCRZEDOSXWXDD-WBMJQRKESA-N 0 0 340.445 2.840 10 5 EFBERN C[C@H](CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000601782290 479002518 /nfs/dbraw/zinc/00/25/18/479002518.db2.gz YMQRWQRYMXUMAD-RNCFNFMXSA-N 0 0 334.294 2.507 10 5 EFBERN O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1csc([N+](=O)[O-])c1 ZINC000592695342 479002684 /nfs/dbraw/zinc/00/26/84/479002684.db2.gz ZRMMGCCYMAGEEO-CHWSQXEVSA-N 0 0 333.369 2.701 10 5 EFBERN Cc1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC000601784316 479003558 /nfs/dbraw/zinc/00/35/58/479003558.db2.gz FLOKAXZLBRWJCA-SFHVURJKSA-N 0 0 328.368 2.849 10 5 EFBERN Cc1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000601789964 479006860 /nfs/dbraw/zinc/00/68/60/479006860.db2.gz XFFGAJJAPDGXSB-SFHVURJKSA-N 0 0 328.368 2.849 10 5 EFBERN CC(C)c1ccc(C(=O)N(C)[C@H]2CCCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000601796145 479009373 /nfs/dbraw/zinc/00/93/73/479009373.db2.gz AZEDBRVJPQUHJC-HNNXBMFYSA-N 0 0 347.415 2.801 10 5 EFBERN CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000601796146 479009472 /nfs/dbraw/zinc/00/94/72/479009472.db2.gz AZEDBRVJPQUHJC-OAHLLOKOSA-N 0 0 347.415 2.801 10 5 EFBERN CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccc(Cl)cc21 ZINC000601795299 479009515 /nfs/dbraw/zinc/00/95/15/479009515.db2.gz IUSOYZWITIDNNC-UHFFFAOYSA-N 0 0 334.763 2.769 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2(CCCC2)OC[C@H]1C ZINC000595814966 479012177 /nfs/dbraw/zinc/01/21/77/479012177.db2.gz KAGUOUAUCIYNFA-CQSZACIVSA-N 0 0 347.415 2.875 10 5 EFBERN CSc1ccc(C(=O)N2CCO[C@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601805515 479012523 /nfs/dbraw/zinc/01/25/23/479012523.db2.gz YLJWJMVBOWPHDW-NSHDSACASA-N 0 0 346.355 2.813 10 5 EFBERN C[C@H]1COC2(CCCC2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595816242 479014026 /nfs/dbraw/zinc/01/40/26/479014026.db2.gz VCQOPXYBBAJZNI-AWEZNQCLSA-N 0 0 347.415 2.591 10 5 EFBERN Cn1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592733873 479018876 /nfs/dbraw/zinc/01/88/76/479018876.db2.gz GOMWJWYMEIXFMW-MGPQQGTHSA-N 0 0 340.383 2.914 10 5 EFBERN Cc1nn(C)c(C(=O)NC2(c3ccc(C)cc3)CCC2)c1[N+](=O)[O-] ZINC000592733904 479019072 /nfs/dbraw/zinc/01/90/72/479019072.db2.gz GXECSVWSVWROLC-UHFFFAOYSA-N 0 0 328.372 2.754 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000573221997 479019802 /nfs/dbraw/zinc/01/98/02/479019802.db2.gz XWFYUWFZQAUYJV-HNNXBMFYSA-N 0 0 341.367 2.993 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn2c1CCCC2 ZINC000601823990 479021454 /nfs/dbraw/zinc/02/14/54/479021454.db2.gz GPYAVXMIGNKIIY-UHFFFAOYSA-N 0 0 330.344 2.779 10 5 EFBERN COc1nc(C)cc(C)c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000598780145 479022948 /nfs/dbraw/zinc/02/29/48/479022948.db2.gz PAUBAAHQTLFATC-UHFFFAOYSA-N 0 0 329.356 2.887 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnn2c1CCCC2 ZINC000601824816 479023060 /nfs/dbraw/zinc/02/30/60/479023060.db2.gz KIMXCCJNMAEMBV-UHFFFAOYSA-N 0 0 330.344 2.535 10 5 EFBERN O=[N+]([O-])c1ccc2ccnc(N3CCO[C@@]4(CCSC4)C3)c2c1 ZINC000573241503 479023322 /nfs/dbraw/zinc/02/33/22/479023322.db2.gz GYUHRKCACYLAIV-INIZCTEOSA-N 0 0 331.397 2.855 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cnn2c1CCCC2 ZINC000601830378 479024903 /nfs/dbraw/zinc/02/49/03/479024903.db2.gz SCLJAZXVPDDVTA-UHFFFAOYSA-N 0 0 336.298 2.587 10 5 EFBERN CCc1nccn1[C@@H](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592748652 479025029 /nfs/dbraw/zinc/02/50/29/479025029.db2.gz OQHSKWWZSPUANK-LBPRGKRZSA-N 0 0 328.372 2.894 10 5 EFBERN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000601837651 479030898 /nfs/dbraw/zinc/03/08/98/479030898.db2.gz QEVODBSSHDQVKA-QGZVFWFLSA-N 0 0 330.388 2.565 10 5 EFBERN Cc1sc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1-c1cccc([N+](=O)[O-])c1 ZINC000598807154 479031695 /nfs/dbraw/zinc/03/16/95/479031695.db2.gz FAALCGPOQUVUGH-ITGUQSILSA-N 0 0 345.380 2.858 10 5 EFBERN CCc1nccn1[C@H](C)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592763498 479031829 /nfs/dbraw/zinc/03/18/29/479031829.db2.gz SSQHVJLYVXBIFF-CYBMUJFWSA-N 0 0 346.387 2.500 10 5 EFBERN CC1(C)OC[C@H]2C[C@]21C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598810460 479034207 /nfs/dbraw/zinc/03/42/07/479034207.db2.gz ROIONCCIUJYSBC-ANRSDYALSA-N 0 0 342.298 2.950 10 5 EFBERN C[C@](CO)(Cc1ccc(F)cc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000601851163 479039779 /nfs/dbraw/zinc/03/97/79/479039779.db2.gz HADLWAKWVHCVCG-OAHLLOKOSA-N 0 0 338.360 2.519 10 5 EFBERN Cc1cc(C(=O)N[C@@](C)(CO)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000601852384 479040796 /nfs/dbraw/zinc/04/07/96/479040796.db2.gz OICNMUDDCZUICE-GOSISDBHSA-N 0 0 346.358 2.766 10 5 EFBERN CC(C)(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)n1cccn1 ZINC000598827028 479042909 /nfs/dbraw/zinc/04/29/09/479042909.db2.gz ZXXCMOPKJDHFIE-UHFFFAOYSA-N 0 0 328.372 2.718 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1CCOC2 ZINC000601855876 479042835 /nfs/dbraw/zinc/04/28/35/479042835.db2.gz KQBSXCZCTZQZKC-UHFFFAOYSA-N 0 0 326.352 2.526 10 5 EFBERN COc1cc(C(=O)NCc2cccc3c2CCOC3)ccc1[N+](=O)[O-] ZINC000601855848 479043461 /nfs/dbraw/zinc/04/34/61/479043461.db2.gz JRSWLCPWJBLAKK-UHFFFAOYSA-N 0 0 342.351 2.606 10 5 EFBERN CO[C@@H]1CC[C@H](C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598828276 479044236 /nfs/dbraw/zinc/04/42/36/479044236.db2.gz PCTUUIWTNFTRSU-WCQYABFASA-N 0 0 329.356 2.627 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)NCC1([C@@H]2CCCCO2)CCC1 ZINC000601857452 479044472 /nfs/dbraw/zinc/04/44/72/479044472.db2.gz QWMXVMARWRGQON-INIZCTEOSA-N 0 0 348.399 2.829 10 5 EFBERN CCc1cc(NC(=O)[C@H]2CC[C@H](OC)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000598828172 479044459 /nfs/dbraw/zinc/04/44/59/479044459.db2.gz LGTHFNIVMZZQEI-FZMZJTMJSA-N 0 0 343.383 2.881 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])NCC1([C@H]2CCCCO2)CCC1 ZINC000601858258 479044676 /nfs/dbraw/zinc/04/46/76/479044676.db2.gz WAAYVWGUVPCXBK-MRXNPFEDSA-N 0 0 332.400 2.993 10 5 EFBERN C[C@H]1C[C@@H]1c1noc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000565608409 479046115 /nfs/dbraw/zinc/04/61/15/479046115.db2.gz HFJBQVDETQFEQF-YUMQZZPRSA-N 0 0 336.735 2.685 10 5 EFBERN Cc1cc(OCC(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000601875708 479051620 /nfs/dbraw/zinc/05/16/20/479051620.db2.gz DFGAAAWGBYVCNQ-WMZOPIPTSA-N 0 0 348.399 2.746 10 5 EFBERN Cc1cc(OCC(=O)N[C@H](C2CCC2)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000601875706 479051884 /nfs/dbraw/zinc/05/18/84/479051884.db2.gz DFGAAAWGBYVCNQ-SJLPKXTDSA-N 0 0 348.399 2.746 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601877685 479052395 /nfs/dbraw/zinc/05/23/95/479052395.db2.gz PXAAOGYZDCFNGL-DOTOQJQBSA-N 0 0 336.363 2.740 10 5 EFBERN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](CC(F)(F)F)C3)nc2c1 ZINC000595886964 479052615 /nfs/dbraw/zinc/05/26/15/479052615.db2.gz QCHUQQWZCCHOBX-JTQLQIEISA-N 0 0 345.277 2.889 10 5 EFBERN COc1c(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601876248 479052724 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EFBERN CC(C)Oc1cc(C(=O)N=c2[nH][nH]cc2C2CC2)ccc1[N+](=O)[O-] ZINC000592828385 479062945 /nfs/dbraw/zinc/06/29/45/479062945.db2.gz OHTULYVNMMUARK-UHFFFAOYSA-N 0 0 330.344 2.657 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000598867790 479063291 /nfs/dbraw/zinc/06/32/91/479063291.db2.gz RFYVVYJLFKGIEK-NFAWXSAZSA-N 0 0 346.383 2.789 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000598871967 479065508 /nfs/dbraw/zinc/06/55/08/479065508.db2.gz PZXHYRYTHVYFKO-GOEBONIOSA-N 0 0 342.399 2.778 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc(C(F)(F)F)c(C)c2)n1 ZINC000598871480 479065719 /nfs/dbraw/zinc/06/57/19/479065719.db2.gz RQZJKBAMWDMMOJ-UHFFFAOYSA-N 0 0 343.265 2.786 10 5 EFBERN CC1(CC(F)F)CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000592836222 479065760 /nfs/dbraw/zinc/06/57/60/479065760.db2.gz UDBJRJQPCAICAT-UHFFFAOYSA-N 0 0 327.331 2.901 10 5 EFBERN CCc1n[nH]c(C(=O)NC2(c3ccccc3F)CCC2)c1[N+](=O)[O-] ZINC000592835257 479066769 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COC(=O)c1ccc([N+](=O)[O-])c(CN2CC(C)(C)OCC2(C)C)c1 ZINC000593013555 479124595 /nfs/dbraw/zinc/12/45/95/479124595.db2.gz JOFREQVEUNNQHA-UHFFFAOYSA-N 0 0 336.388 2.771 10 5 EFBERN C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596080808 479126627 /nfs/dbraw/zinc/12/66/27/479126627.db2.gz NTMCITGPXRQRKZ-DTWKUNHWSA-N 0 0 331.294 2.704 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H](C)c2ccccn2)c1 ZINC000593018445 479126728 /nfs/dbraw/zinc/12/67/28/479126728.db2.gz KJKCRDIOFHLUOF-LBPRGKRZSA-N 0 0 329.356 2.969 10 5 EFBERN Cc1cc(C2(NCc3ccc([N+](=O)[O-])cc3C)CCOCC2)on1 ZINC000599021003 479128440 /nfs/dbraw/zinc/12/84/40/479128440.db2.gz RNDRKQYRVNUIKP-UHFFFAOYSA-N 0 0 331.372 2.995 10 5 EFBERN CC(C)C(=O)NC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019371 479128912 /nfs/dbraw/zinc/12/89/12/479128912.db2.gz IXEYTJNZLOODQA-UHFFFAOYSA-N 0 0 342.399 2.884 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)c2ccccc2C)c1 ZINC000593022174 479128840 /nfs/dbraw/zinc/12/88/40/479128840.db2.gz CSPJCYVUFKEFHH-INIZCTEOSA-N 0 0 344.367 2.513 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2cncc(F)c2)c1 ZINC000593023588 479130640 /nfs/dbraw/zinc/13/06/40/479130640.db2.gz WNZBIMRCHFJCFY-JTQLQIEISA-N 0 0 333.319 2.766 10 5 EFBERN COc1cc(N2CCC(N(C)C(C)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596090268 479132045 /nfs/dbraw/zinc/13/20/45/479132045.db2.gz NUNFCPLNRPGCMQ-UHFFFAOYSA-N 0 0 341.795 2.704 10 5 EFBERN COc1cc(N2CCC[C@H](CNC(C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596091707 479133374 /nfs/dbraw/zinc/13/33/74/479133374.db2.gz CNNBZCXWHDROJJ-LLVKDONJSA-N 0 0 341.795 2.609 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000593032377 479134612 /nfs/dbraw/zinc/13/46/12/479134612.db2.gz QCEGUKIUAXLKIF-QWHCGFSZSA-N 0 0 348.399 2.969 10 5 EFBERN CCOc1cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741809 479137993 /nfs/dbraw/zinc/13/79/93/479137993.db2.gz YFZGBVYMGIUBBP-JJRVBVJISA-N 0 0 348.399 2.767 10 5 EFBERN CCOc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741807 479138427 /nfs/dbraw/zinc/13/84/27/479138427.db2.gz YFZGBVYMGIUBBP-GRDNDAEWSA-N 0 0 348.399 2.767 10 5 EFBERN CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599048319 479138602 /nfs/dbraw/zinc/13/86/02/479138602.db2.gz KJVFUPGKALTAFY-OLZOCXBDSA-N 0 0 349.412 2.911 10 5 EFBERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC000599053384 479139517 /nfs/dbraw/zinc/13/95/17/479139517.db2.gz SLKSOEDNYLOEBK-HCKVZZMMSA-N 0 0 326.356 2.564 10 5 EFBERN COc1cccc(N2CC[C@H](CNc3cc[nH]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596105796 479141115 /nfs/dbraw/zinc/14/11/15/479141115.db2.gz YUKWIUDSLPMGEC-GFCCVEGCSA-N 0 0 344.371 2.642 10 5 EFBERN Cc1n[nH]c([C@@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)n1 ZINC000599059591 479142571 /nfs/dbraw/zinc/14/25/71/479142571.db2.gz ZCMAGQJGOHYRIG-CYBMUJFWSA-N 0 0 338.371 2.954 10 5 EFBERN COc1cc(N[C@@H]2CCc3nc(C)nn3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596106898 479142617 /nfs/dbraw/zinc/14/26/17/479142617.db2.gz WPHQBHNRYXGESL-SECBINFHSA-N 0 0 337.767 2.584 10 5 EFBERN O=[N+]([O-])c1c(NC[C@H]2CCCCS2(=O)=O)ccc2cnccc21 ZINC000599065775 479145485 /nfs/dbraw/zinc/14/54/85/479145485.db2.gz NHGQTRIDCFSQJY-GFCCVEGCSA-N 0 0 335.385 2.522 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCOCC2(CCOCC2)C1 ZINC000599067242 479145508 /nfs/dbraw/zinc/14/55/08/479145508.db2.gz ZJWOCVCSKHILSZ-UHFFFAOYSA-N 0 0 343.383 2.776 10 5 EFBERN COc1cc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cnc1OC ZINC000599067368 479146962 /nfs/dbraw/zinc/14/69/62/479146962.db2.gz VJTYDTXHHLXWKV-OLZOCXBDSA-N 0 0 347.375 2.799 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCn2c(CC3CC3)nnc2C1 ZINC000593057879 479147954 /nfs/dbraw/zinc/14/79/54/479147954.db2.gz DIKHYHZCYUVGFI-LBPRGKRZSA-N 0 0 327.388 2.716 10 5 EFBERN CC[C@@H]1CN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593057324 479149362 /nfs/dbraw/zinc/14/93/62/479149362.db2.gz FNDNJQFYIOWQPY-HUUCEWRRSA-N 0 0 336.388 2.771 10 5 EFBERN CS(=O)(=O)[C@H]1CCCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599073059 479149291 /nfs/dbraw/zinc/14/92/91/479149291.db2.gz KTEFRNSMQUYSIF-ZDUSSCGKSA-N 0 0 349.412 2.547 10 5 EFBERN CS(=O)(=O)[C@@H]1CCCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599073056 479149327 /nfs/dbraw/zinc/14/93/27/479149327.db2.gz KTEFRNSMQUYSIF-CYBMUJFWSA-N 0 0 349.412 2.547 10 5 EFBERN CN(CCCNC(=O)C1CCC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599073857 479151038 /nfs/dbraw/zinc/15/10/38/479151038.db2.gz ORTBEAYEYUBCSD-UHFFFAOYSA-N 0 0 342.399 2.886 10 5 EFBERN CC[C@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596122418 479152012 /nfs/dbraw/zinc/15/20/12/479152012.db2.gz IWGYCUPTUKQPRU-GZMMTYOYSA-N 0 0 330.768 2.854 10 5 EFBERN CC(C)c1ccc(NC(=O)CSc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000584480856 479152770 /nfs/dbraw/zinc/15/27/70/479152770.db2.gz QVODBTPGHDAABZ-UHFFFAOYSA-N 0 0 347.400 2.652 10 5 EFBERN COCC1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCOCC1 ZINC000599082144 479154200 /nfs/dbraw/zinc/15/42/00/479154200.db2.gz REBQQYHKIYDTGM-UHFFFAOYSA-N 0 0 331.372 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(SC[C@@H](C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000596129173 479155431 /nfs/dbraw/zinc/15/54/31/479155431.db2.gz PLNJXAFJQQPKRR-SSDOTTSWSA-N 0 0 347.776 2.936 10 5 EFBERN CC1(C)CC[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)O1 ZINC000573837693 479156709 /nfs/dbraw/zinc/15/67/09/479156709.db2.gz YMFSIVXWZXTFQT-HNNXBMFYSA-N 0 0 331.372 2.692 10 5 EFBERN NC(=O)[C@H]1CCC[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596135058 479157709 /nfs/dbraw/zinc/15/77/09/479157709.db2.gz QEXPTSWXDAXUNJ-DTWKUNHWSA-N 0 0 342.193 2.813 10 5 EFBERN CCn1nnc(C)c1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000599091114 479157780 /nfs/dbraw/zinc/15/77/80/479157780.db2.gz XOEALYHELFPIGG-UHFFFAOYSA-N 0 0 327.291 2.728 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CCN2CC(F)(F)C[C@H]2C1 ZINC000599093542 479159063 /nfs/dbraw/zinc/15/90/63/479159063.db2.gz YWTHMEWARZJSND-LBPRGKRZSA-N 0 0 334.326 2.673 10 5 EFBERN CN=c1[nH]c(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)cs1 ZINC000596137127 479159186 /nfs/dbraw/zinc/15/91/86/479159186.db2.gz HOQRXNGNYBGXBE-UHFFFAOYSA-N 0 0 328.781 2.789 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000596138571 479159254 /nfs/dbraw/zinc/15/92/54/479159254.db2.gz XWYHQPNJMJVGOU-VIFPVBQESA-N 0 0 330.768 2.854 10 5 EFBERN COCCCn1ccc(Nc2cc(OC)c([N+](=O)[O-])cc2Cl)n1 ZINC000596137100 479159829 /nfs/dbraw/zinc/15/98/29/479159829.db2.gz QRTMRUZBHLQLRC-UHFFFAOYSA-N 0 0 340.767 2.655 10 5 EFBERN CC(C)(CNc1ccc2cnccc2c1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000599095386 479159887 /nfs/dbraw/zinc/15/98/87/479159887.db2.gz SFXLXQLDDUTASZ-KRWDZBQOSA-N 0 0 331.372 2.733 10 5 EFBERN C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000596140333 479160456 /nfs/dbraw/zinc/16/04/56/479160456.db2.gz GQJHKRMKNMERJM-IINYFYTJSA-N 0 0 333.319 2.801 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1CCO[C@@H](C2CC2)C1 ZINC000596201256 479195815 /nfs/dbraw/zinc/19/58/15/479195815.db2.gz WVAVQRBDFCEPAA-GFCCVEGCSA-N 0 0 327.178 2.973 10 5 EFBERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1=O ZINC000596142296 479161408 /nfs/dbraw/zinc/16/14/08/479161408.db2.gz KYSZPXBBBDKYBQ-UISBYWKRSA-N 0 0 325.315 2.954 10 5 EFBERN O=[N+]([O-])c1c(NCc2nc([C@@H]3CCCO3)n[nH]2)ccc2cnccc21 ZINC000599103297 479161600 /nfs/dbraw/zinc/16/16/00/479161600.db2.gz WFWOALIFEAGTCN-ZDUSSCGKSA-N 0 0 340.343 2.725 10 5 EFBERN COc1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)c([N+](=O)[O-])cc1C ZINC000596141830 479161626 /nfs/dbraw/zinc/16/16/26/479161626.db2.gz OTZXHRGLHDFLPZ-CYBMUJFWSA-N 0 0 345.403 2.726 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000596146189 479162694 /nfs/dbraw/zinc/16/26/94/479162694.db2.gz RPNRVDOIAFYFMM-SKDRFNHKSA-N 0 0 342.779 2.998 10 5 EFBERN CCCN(CCc1ccccn1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596148234 479163671 /nfs/dbraw/zinc/16/36/71/479163671.db2.gz AASGZEOUNMTAQI-UHFFFAOYSA-N 0 0 328.372 2.548 10 5 EFBERN Cn1cc([C@@H]2C[C@@H](Nc3ncc([N+](=O)[O-])cc3Cl)CCO2)cn1 ZINC000599109678 479163786 /nfs/dbraw/zinc/16/37/86/479163786.db2.gz XMOFSCMTEZVTHG-GWCFXTLKSA-N 0 0 337.767 2.709 10 5 EFBERN O=C1CCCN1C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599110075 479163850 /nfs/dbraw/zinc/16/38/50/479163850.db2.gz FLZZKZUILMBOIH-CYBMUJFWSA-N 0 0 340.383 2.592 10 5 EFBERN Cn1cc([C@@H]2C[C@H](Nc3ncc([N+](=O)[O-])cc3Cl)CCO2)cn1 ZINC000599109681 479164094 /nfs/dbraw/zinc/16/40/94/479164094.db2.gz XMOFSCMTEZVTHG-MFKMUULPSA-N 0 0 337.767 2.709 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(-c3ccn(C4CCOCC4)n3)n2)cc1 ZINC000599113233 479164891 /nfs/dbraw/zinc/16/48/91/479164891.db2.gz MGOYZXABEOWHEZ-UHFFFAOYSA-N 0 0 341.327 2.860 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596150659 479165228 /nfs/dbraw/zinc/16/52/28/479165228.db2.gz DPQOLZIEAZBDEF-VIFPVBQESA-N 0 0 327.768 2.811 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000599115447 479165267 /nfs/dbraw/zinc/16/52/67/479165267.db2.gz MHPRNNWBPOAEGG-KXUCPTDWSA-N 0 0 330.431 2.908 10 5 EFBERN CCOC(=O)Cc1ccc(NCC[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000599116310 479165805 /nfs/dbraw/zinc/16/58/05/479165805.db2.gz GMXWBHFOQBFTJL-CYBMUJFWSA-N 0 0 336.388 2.929 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1NCC[C@@H]1CCCOC1 ZINC000599116308 479165867 /nfs/dbraw/zinc/16/58/67/479165867.db2.gz GLTVMGHKNYHESN-VIFPVBQESA-N 0 0 330.182 2.981 10 5 EFBERN CCOC(=O)c1nccc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000596150620 479165798 /nfs/dbraw/zinc/16/57/98/479165798.db2.gz CZOFYLGZFLZYJL-CYBMUJFWSA-N 0 0 330.344 2.547 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1NC[C@@H](n1cccn1)C(F)(F)F)CCN2 ZINC000599117741 479166790 /nfs/dbraw/zinc/16/67/90/479166790.db2.gz PETCRFMUDGVOAO-GFCCVEGCSA-N 0 0 341.293 2.975 10 5 EFBERN CCc1nn(C)c(NC[C@]2(C)COc3ccccc3O2)c1[N+](=O)[O-] ZINC000599118315 479166817 /nfs/dbraw/zinc/16/68/17/479166817.db2.gz UMNFBDXHKKWNMB-MRXNPFEDSA-N 0 0 332.360 2.533 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@H]1CCCOC1 ZINC000599116521 479167270 /nfs/dbraw/zinc/16/72/70/479167270.db2.gz JOUCFPWEIUKLHI-OAHLLOKOSA-N 0 0 349.431 2.656 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@@H]1CCCOC1 ZINC000599116520 479167332 /nfs/dbraw/zinc/16/73/32/479167332.db2.gz JOUCFPWEIUKLHI-HNNXBMFYSA-N 0 0 349.431 2.656 10 5 EFBERN COCCCOC1CN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596156375 479168099 /nfs/dbraw/zinc/16/80/99/479168099.db2.gz OKDUKJRUHLLNRI-UHFFFAOYSA-N 0 0 345.193 2.599 10 5 EFBERN CC(C)Oc1nc(N2CC(CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000569745241 479168091 /nfs/dbraw/zinc/16/80/91/479168091.db2.gz UDINCRBQPWJSHI-UHFFFAOYSA-N 0 0 343.383 2.527 10 5 EFBERN COCCC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000599121329 479168119 /nfs/dbraw/zinc/16/81/19/479168119.db2.gz USMCNEAQQNXDBP-UHFFFAOYSA-N 0 0 336.388 2.943 10 5 EFBERN COC(=O)c1c(Cl)c(NCC(C)(C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000596156576 479168625 /nfs/dbraw/zinc/16/86/25/479168625.db2.gz LEGOFOJQTVYLIH-UHFFFAOYSA-N 0 0 344.751 2.646 10 5 EFBERN COc1cc(NCc2c(C(F)(F)F)cnn2C)ccc1[N+](=O)[O-] ZINC000599123167 479169203 /nfs/dbraw/zinc/16/92/03/479169203.db2.gz ARYZCHKZKWVJDY-UHFFFAOYSA-N 0 0 330.266 2.968 10 5 EFBERN COc1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596157256 479169351 /nfs/dbraw/zinc/16/93/51/479169351.db2.gz RUROROOBXBRUBT-ZFWWWQNUSA-N 0 0 342.779 2.641 10 5 EFBERN C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2(CCC2)CO1 ZINC000593092093 479169608 /nfs/dbraw/zinc/16/96/08/479169608.db2.gz MLOIQGJWYSTTCJ-LBPRGKRZSA-N 0 0 344.371 2.788 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)c2nnc(C)o2)ccc1[N+](=O)[O-] ZINC000596158101 479169744 /nfs/dbraw/zinc/16/97/44/479169744.db2.gz PQDGTTFOZFWGOZ-ZCFIWIBFSA-N 0 0 340.723 2.899 10 5 EFBERN CCC[C@H](C)[C@H](CO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000584535344 479170069 /nfs/dbraw/zinc/17/00/69/479170069.db2.gz DMTSDHVAKWYWNO-HUBLWGQQSA-N 0 0 340.445 2.989 10 5 EFBERN CNS(=O)(=O)c1ccc(SC[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000599125371 479170507 /nfs/dbraw/zinc/17/05/07/479170507.db2.gz NZYZTYZBTICJPC-JGPRNRPPSA-N 0 0 342.442 2.641 10 5 EFBERN COC(=O)Cc1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000599125403 479170562 /nfs/dbraw/zinc/17/05/62/479170562.db2.gz FGKDLPNRUMOTML-UHFFFAOYSA-N 0 0 341.367 2.890 10 5 EFBERN CCOC(=O)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596159726 479171296 /nfs/dbraw/zinc/17/12/96/479171296.db2.gz IGAANEPICIMTMR-MRVPVSSYSA-N 0 0 344.751 2.788 10 5 EFBERN CCOC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596159727 479171744 /nfs/dbraw/zinc/17/17/44/479171744.db2.gz IGAANEPICIMTMR-QMMMGPOBSA-N 0 0 344.751 2.788 10 5 EFBERN COc1cc(N2CCC(OCCCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596161892 479172121 /nfs/dbraw/zinc/17/21/21/479172121.db2.gz MWDPXRDEVHOWQR-UHFFFAOYSA-N 0 0 344.795 2.625 10 5 EFBERN Cc1cc(NC[C@@H](O)[C@H]2CCCO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599133289 479174441 /nfs/dbraw/zinc/17/44/41/479174441.db2.gz UDGINGROEFZTLE-CHWSQXEVSA-N 0 0 334.294 2.874 10 5 EFBERN O=c1[nH]cnc2cc(N3CC[C@H]4CC[C@@H](C3)S4)c([N+](=O)[O-])cc21 ZINC000599133868 479175162 /nfs/dbraw/zinc/17/51/62/479175162.db2.gz AJONYPWNNZYYBB-ZJUUUORDSA-N 0 0 332.385 2.718 10 5 EFBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596167112 479175521 /nfs/dbraw/zinc/17/55/21/479175521.db2.gz DHSAKHDBJFWMHM-APPDUMDISA-N 0 0 341.367 2.522 10 5 EFBERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596167114 479175720 /nfs/dbraw/zinc/17/57/20/479175720.db2.gz DHSAKHDBJFWMHM-GTNSWQLSSA-N 0 0 341.367 2.522 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)nc1 ZINC000599139437 479177996 /nfs/dbraw/zinc/17/79/96/479177996.db2.gz NYTHFTNWTZKMGZ-HNNXBMFYSA-N 0 0 348.790 2.961 10 5 EFBERN COc1ccc(CN2CC[C@H]2CNc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000599140470 479178763 /nfs/dbraw/zinc/17/87/63/479178763.db2.gz UIPIGKYYAVTINY-HNNXBMFYSA-N 0 0 342.399 2.993 10 5 EFBERN COc1cc(N2CC[C@@H](c3nccn3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596174188 479179886 /nfs/dbraw/zinc/17/98/86/479179886.db2.gz ITLZHBBMETWZLU-SNVBAGLBSA-N 0 0 336.779 2.984 10 5 EFBERN COC(=O)c1c(Cl)c(NCCC[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000596177397 479181122 /nfs/dbraw/zinc/18/11/22/479181122.db2.gz HRDMHZAEJRRQOT-VIFPVBQESA-N 0 0 330.768 2.855 10 5 EFBERN Cc1ccccc1CO[C@@H](C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000599150705 479183166 /nfs/dbraw/zinc/18/31/66/479183166.db2.gz DNEUTBIFLOYGBP-NSHDSACASA-N 0 0 343.343 2.965 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593116867 479183522 /nfs/dbraw/zinc/18/35/22/479183522.db2.gz JKDNGBQWCVJCKB-IINYFYTJSA-N 0 0 325.315 2.653 10 5 EFBERN C[C@H](c1cccc(F)c1)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596180345 479183739 /nfs/dbraw/zinc/18/37/39/479183739.db2.gz XBXGOMKOAQNXRJ-GFCCVEGCSA-N 0 0 345.378 2.594 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCO[C@H](c2ccccc2)C1 ZINC000610771504 479183792 /nfs/dbraw/zinc/18/37/92/479183792.db2.gz XKTAKLOPOAMWQY-INIZCTEOSA-N 0 0 327.340 2.594 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CC2(F)F)C1 ZINC000593115649 479183985 /nfs/dbraw/zinc/18/39/85/479183985.db2.gz CRNAQERQSARCKG-AWEZNQCLSA-N 0 0 325.315 2.573 10 5 EFBERN Cc1c(NC(=O)[C@H](C)N2CC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593115223 479184066 /nfs/dbraw/zinc/18/40/66/479184066.db2.gz AOAKZSVTERIBQW-NHYWBVRUSA-N 0 0 339.342 2.961 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000596181048 479184452 /nfs/dbraw/zinc/18/44/52/479184452.db2.gz WECSCBRYPXAYPP-SNVBAGLBSA-N 0 0 348.794 2.954 10 5 EFBERN NC(=O)c1cc(N[C@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000596181921 479186119 /nfs/dbraw/zinc/18/61/19/479186119.db2.gz HQNRFJRFJHOGIP-CXAGYDPISA-N 0 0 341.367 2.883 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@]4(CC4(F)F)C3)o2)cc1 ZINC000593118832 479187642 /nfs/dbraw/zinc/18/76/42/479187642.db2.gz YSZRMSDNZLRNHY-CQSZACIVSA-N 0 0 336.298 2.876 10 5 EFBERN Cc1cc(NC[C@H]2COCCN2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599160414 479188641 /nfs/dbraw/zinc/18/86/41/479188641.db2.gz IQKQITBAGJRTBJ-JTQLQIEISA-N 0 0 333.310 2.665 10 5 EFBERN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000610789900 479189829 /nfs/dbraw/zinc/18/98/29/479189829.db2.gz RHRPNYPIWLFZPL-AWEZNQCLSA-N 0 0 335.747 2.761 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599167377 479190897 /nfs/dbraw/zinc/19/08/97/479190897.db2.gz DXWTXNAKMIABAX-WCBZVUCDSA-N 0 0 331.397 2.633 10 5 EFBERN COCC1=CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596193821 479191421 /nfs/dbraw/zinc/19/14/21/479191421.db2.gz AGEXADIUDGDJDY-UHFFFAOYSA-N 0 0 340.763 2.818 10 5 EFBERN O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)c2c1 ZINC000599167371 479191782 /nfs/dbraw/zinc/19/17/82/479191782.db2.gz DPULNXIHWKLWFH-XMQCVEROSA-N 0 0 331.397 2.633 10 5 EFBERN COC(=O)C(C)(C)[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000610804064 479191986 /nfs/dbraw/zinc/19/19/86/479191986.db2.gz JWVZUVHIFBKYOW-CQSZACIVSA-N 0 0 345.355 2.593 10 5 EFBERN Cc1c(Br)c(N2CCO[C@H](CCF)C2)ncc1[N+](=O)[O-] ZINC000599168624 479192337 /nfs/dbraw/zinc/19/23/37/479192337.db2.gz GZVSKMNWDAWXRU-SECBINFHSA-N 0 0 348.172 2.626 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@H](CCF)C1 ZINC000599169230 479192881 /nfs/dbraw/zinc/19/28/81/479192881.db2.gz SLMKMXYNPNQCPC-GFCCVEGCSA-N 0 0 335.335 2.716 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599167898 479192996 /nfs/dbraw/zinc/19/29/96/479192996.db2.gz UIIMAGNAMYOOND-YCDSQXFLSA-N 0 0 331.397 2.633 10 5 EFBERN COC(=O)c1c(Cl)c(NCC2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000596197648 479193271 /nfs/dbraw/zinc/19/32/71/479193271.db2.gz ULDZZNWOWOEEFY-UHFFFAOYSA-N 0 0 342.779 2.999 10 5 EFBERN CC(=O)c1cc(NCC(C)(C)C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000599171197 479194448 /nfs/dbraw/zinc/19/44/48/479194448.db2.gz ZFORWCHKUOCDNH-UHFFFAOYSA-N 0 0 333.388 2.858 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c2ccncc21 ZINC000599174331 479195565 /nfs/dbraw/zinc/19/55/65/479195565.db2.gz WGOAFPDDZIONID-WCBZVUCDSA-N 0 0 331.397 2.633 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599173710 479195692 /nfs/dbraw/zinc/19/56/92/479195692.db2.gz PPXANGVUZRJETC-YCDSQXFLSA-N 0 0 331.397 2.633 10 5 EFBERN O=c1c2ccc(I)cc2[nH]c2c(O)cccc12 ZINC000584640634 479196639 /nfs/dbraw/zinc/19/66/39/479196639.db2.gz KLIOQTUXHNXPBA-UHFFFAOYSA-N 0 0 337.116 2.992 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000596204765 479197767 /nfs/dbraw/zinc/19/77/67/479197767.db2.gz XLTTZTSJFCMZCD-BXKDBHETSA-N 0 0 342.779 2.896 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000596204768 479197773 /nfs/dbraw/zinc/19/77/73/479197773.db2.gz XLTTZTSJFCMZCD-SKDRFNHKSA-N 0 0 342.779 2.896 10 5 EFBERN CCOC(=O)Cc1ccc(N[C@@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000599181209 479198370 /nfs/dbraw/zinc/19/83/70/479198370.db2.gz QMASXRFXJCATRE-BBRMVZONSA-N 0 0 334.372 2.680 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000596207131 479198978 /nfs/dbraw/zinc/19/89/78/479198978.db2.gz BPHXJMRKFDSKIZ-VHSXEESVSA-N 0 0 342.779 2.998 10 5 EFBERN Cc1cc(NC[C@@H]2CN(Cc3ccncc3)CCO2)c([N+](=O)[O-])s1 ZINC000599184629 479199188 /nfs/dbraw/zinc/19/91/88/479199188.db2.gz LCMLSRZLKUNKBF-CQSZACIVSA-N 0 0 348.428 2.673 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@H]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000596207995 479199294 /nfs/dbraw/zinc/19/92/94/479199294.db2.gz UPSIAIZENIBVLW-RKDXNWHRSA-N 0 0 328.752 2.608 10 5 EFBERN Cc1ccc(NC[C@@H]2CN(Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000599184312 479199331 /nfs/dbraw/zinc/19/93/31/479199331.db2.gz ZGBKPGJNLDPHLA-MRXNPFEDSA-N 0 0 342.399 2.611 10 5 EFBERN Cc1cc(NC[C@H]2CN(Cc3ccncc3)CCO2)c([N+](=O)[O-])s1 ZINC000599184628 479199538 /nfs/dbraw/zinc/19/95/38/479199538.db2.gz LCMLSRZLKUNKBF-AWEZNQCLSA-N 0 0 348.428 2.673 10 5 EFBERN [NH3+][C@@H](Cc1ccc2[nH]c3cc4ccccc4cc3c(=O)c2c1)C(=O)[O-] ZINC000584662067 479199883 /nfs/dbraw/zinc/19/98/83/479199883.db2.gz SZGKNUCPVPAWNY-INIZCTEOSA-N 0 0 332.359 2.789 10 5 EFBERN COc1cc(N2C[C@H](C)S(=O)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596208663 479200012 /nfs/dbraw/zinc/20/00/12/479200012.db2.gz USVUENLERQKBQC-IUCAKERBSA-N 0 0 332.809 2.603 10 5 EFBERN COC(=O)c1cc(N2CCc3c(O)cccc3C2)cc(C)c1[N+](=O)[O-] ZINC000599183225 479200429 /nfs/dbraw/zinc/20/04/29/479200429.db2.gz QHBKTFDMARJIJM-UHFFFAOYSA-N 0 0 342.351 2.958 10 5 EFBERN C[C@H](c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1)c1cnccn1 ZINC000599194925 479203527 /nfs/dbraw/zinc/20/35/27/479203527.db2.gz MXCFABGBNCOMNP-NSHDSACASA-N 0 0 340.343 2.556 10 5 EFBERN COC(=O)c1c(Cl)c(N(C)CCCCCO)ccc1[N+](=O)[O-] ZINC000596215798 479203888 /nfs/dbraw/zinc/20/38/88/479203888.db2.gz YPCPLHBRHKSZDG-UHFFFAOYSA-N 0 0 330.768 2.634 10 5 EFBERN Cc1noc([C@@H]2OCC[C@@H]2Nc2ccnc3cc([N+](=O)[O-])ccc32)n1 ZINC000599195278 479204440 /nfs/dbraw/zinc/20/44/40/479204440.db2.gz JUWIFMYLXMEEFQ-DZGCQCFKSA-N 0 0 341.327 2.777 10 5 EFBERN CCOC(=O)c1ccnc(N2CC(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000599197183 479204895 /nfs/dbraw/zinc/20/48/95/479204895.db2.gz YFRUBJXEEPHQFE-UHFFFAOYSA-N 0 0 347.396 2.907 10 5 EFBERN C[C@H](c1noc(CCc2cccc([N+](=O)[O-])c2)n1)c1cnccn1 ZINC000599196173 479205546 /nfs/dbraw/zinc/20/55/46/479205546.db2.gz YXYUHAPADDSPTR-NSHDSACASA-N 0 0 325.328 2.705 10 5 EFBERN COc1cc(N2C[C@@H](C)O[C@]3(CCOC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596217376 479205584 /nfs/dbraw/zinc/20/55/84/479205584.db2.gz KUNFYLXKSHJLSQ-MEBBXXQBSA-N 0 0 342.779 2.641 10 5 EFBERN COC[C@@]1(C)CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000599202168 479206684 /nfs/dbraw/zinc/20/66/84/479206684.db2.gz NLUOLPNMKLHDIP-GOSISDBHSA-N 0 0 343.383 2.899 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000574052948 479206870 /nfs/dbraw/zinc/20/68/70/479206870.db2.gz DVRORELJNJSFQJ-DCGLDWPTSA-N 0 0 336.388 2.766 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000574052952 479206975 /nfs/dbraw/zinc/20/69/75/479206975.db2.gz DVRORELJNJSFQJ-IIYDPXPESA-N 0 0 336.388 2.766 10 5 EFBERN COC[C@@]1(C)CN(c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000599201578 479207193 /nfs/dbraw/zinc/20/71/93/479207193.db2.gz GWSFEULUBQDWHD-CYBMUJFWSA-N 0 0 345.193 2.599 10 5 EFBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1C1CCC1 ZINC000599198984 479207458 /nfs/dbraw/zinc/20/74/58/479207458.db2.gz DRBKMOCGUBENTF-OAHLLOKOSA-N 0 0 326.356 2.708 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](CO)CC2CCC2)ccc1[N+](=O)[O-] ZINC000596222174 479207908 /nfs/dbraw/zinc/20/79/08/479207908.db2.gz GMKAPHREODYDFU-SNVBAGLBSA-N 0 0 342.779 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596223899 479209456 /nfs/dbraw/zinc/20/94/56/479209456.db2.gz UAQDZBQGHUTAQR-NSHDSACASA-N 0 0 342.779 2.632 10 5 EFBERN COc1cc(N2CCO[C@@]3(CCO[C@H]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596224697 479209860 /nfs/dbraw/zinc/20/98/60/479209860.db2.gz ZCSYMWJDSNWWFX-BONVTDFDSA-N 0 0 342.779 2.641 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CCC(OC(F)F)CC1 ZINC000593169849 479217335 /nfs/dbraw/zinc/21/73/35/479217335.db2.gz PNZFVQSOSAEERT-UHFFFAOYSA-N 0 0 346.305 2.943 10 5 EFBERN C[C@@H]1CN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593175788 479220660 /nfs/dbraw/zinc/22/06/60/479220660.db2.gz DBMWGMICIHRPKP-GFCCVEGCSA-N 0 0 326.356 2.605 10 5 EFBERN C[C@]1(c2cccc(F)c2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000593175542 479220897 /nfs/dbraw/zinc/22/08/97/479220897.db2.gz STPKDYCEFSMTGM-KRWDZBQOSA-N 0 0 344.346 2.746 10 5 EFBERN CC[C@H]1[C@@H](CO)CCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596248882 479222481 /nfs/dbraw/zinc/22/24/81/479222481.db2.gz MRHDNNBWMJAPPQ-ZJUUUORDSA-N 0 0 342.779 2.632 10 5 EFBERN COC(=O)c1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000610885432 479223239 /nfs/dbraw/zinc/22/32/39/479223239.db2.gz LIODCKVVAIAXFH-UHFFFAOYSA-N 0 0 344.298 2.723 10 5 EFBERN Cc1sc(C(N)=O)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000610887138 479223487 /nfs/dbraw/zinc/22/34/87/479223487.db2.gz SLDOAAAGNAZGFC-UHFFFAOYSA-N 0 0 344.352 2.797 10 5 EFBERN O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(CO)ccc2F)CC1 ZINC000599261453 479224628 /nfs/dbraw/zinc/22/46/28/479224628.db2.gz SIFMZIVWUZNSCF-UHFFFAOYSA-N 0 0 345.374 2.548 10 5 EFBERN O=C(NC[C@@]1(CO)CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000593182491 479225752 /nfs/dbraw/zinc/22/57/52/479225752.db2.gz QELCSEUWLMVVPN-GOSISDBHSA-N 0 0 341.367 2.593 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000596257982 479227041 /nfs/dbraw/zinc/22/70/41/479227041.db2.gz FIAIQWSRFQLVIN-JTQLQIEISA-N 0 0 328.752 2.872 10 5 EFBERN COc1ccc(CNc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000610911058 479230831 /nfs/dbraw/zinc/23/08/31/479230831.db2.gz GPJGWBFNPBUEIG-UHFFFAOYSA-N 0 0 327.340 2.501 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NCc1ncc3c(n1)CCC3)CCCC2 ZINC000596264892 479231400 /nfs/dbraw/zinc/23/14/00/479231400.db2.gz NEBBQMRVWMQYCN-UHFFFAOYSA-N 0 0 325.372 2.759 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2cc(C)n(C)n2)c1 ZINC000593191344 479231862 /nfs/dbraw/zinc/23/18/62/479231862.db2.gz YRPWBGIMBMUIOK-UHFFFAOYSA-N 0 0 335.385 2.857 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@@H]3C[C@H]2CS3)ccc1[N+](=O)[O-] ZINC000596268638 479232553 /nfs/dbraw/zinc/23/25/53/479232553.db2.gz LCEPSPZVEZMXIC-YUMQZZPRSA-N 0 0 328.777 2.729 10 5 EFBERN C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596275381 479233784 /nfs/dbraw/zinc/23/37/84/479233784.db2.gz RBTRXVFGBNTHCQ-QWRGUYRKSA-N 0 0 347.337 2.505 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000596274053 479234030 /nfs/dbraw/zinc/23/40/30/479234030.db2.gz OUCCNRWWJJYFJO-AXFHLTTASA-N 0 0 341.205 2.955 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596278882 479235892 /nfs/dbraw/zinc/23/58/92/479235892.db2.gz NSAORDZUJXIDMQ-ZJUUUORDSA-N 0 0 342.779 2.632 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000596279872 479236445 /nfs/dbraw/zinc/23/64/45/479236445.db2.gz RTBGONRLBVCSOV-NXEZZACHSA-N 0 0 342.779 2.998 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H]2CCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000596279874 479236546 /nfs/dbraw/zinc/23/65/46/479236546.db2.gz RTBGONRLBVCSOV-VHSXEESVSA-N 0 0 342.779 2.998 10 5 EFBERN COC(=O)c1cc(NC(=O)CCC(C)(C)C(C)=O)cc([N+](=O)[O-])c1 ZINC000610949872 479241484 /nfs/dbraw/zinc/24/14/84/479241484.db2.gz KLPHYROMXMJIMZ-UHFFFAOYSA-N 0 0 336.344 2.715 10 5 EFBERN COc1cc(COc2ccnnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000596292956 479242106 /nfs/dbraw/zinc/24/21/06/479242106.db2.gz NPFWAEYHYOMJSX-UHFFFAOYSA-N 0 0 341.270 2.616 10 5 EFBERN COCC1(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596296788 479243436 /nfs/dbraw/zinc/24/34/36/479243436.db2.gz BRIOFAUOUDEZOA-UHFFFAOYSA-N 0 0 328.752 2.873 10 5 EFBERN CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596307332 479246441 /nfs/dbraw/zinc/24/64/41/479246441.db2.gz KRCTUADLOPCTKS-AWEZNQCLSA-N 0 0 346.431 2.772 10 5 EFBERN Cc1nn(Cc2ccc(F)cc2[N+](=O)[O-])c(C)c1[C@H]1CCC(=O)N1 ZINC000596305287 479246590 /nfs/dbraw/zinc/24/65/90/479246590.db2.gz SZXWVRFUVPPQSE-CYBMUJFWSA-N 0 0 332.335 2.547 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593221175 479246932 /nfs/dbraw/zinc/24/69/32/479246932.db2.gz RNPYOZATGODHIS-QMTHXVAHSA-N 0 0 349.387 2.633 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3ccccn3)C2)n1 ZINC000596307482 479247436 /nfs/dbraw/zinc/24/74/36/479247436.db2.gz XVJMOFJDWFSUNV-LBPRGKRZSA-N 0 0 342.355 2.555 10 5 EFBERN O=C1CC(C2CCCC2)CC(=O)N1CCOc1ccccc1[N+](=O)[O-] ZINC000596307429 479247580 /nfs/dbraw/zinc/24/75/80/479247580.db2.gz NALXAKMOIOCIPN-UHFFFAOYSA-N 0 0 346.383 2.929 10 5 EFBERN C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000596312497 479248984 /nfs/dbraw/zinc/24/89/84/479248984.db2.gz KTPBOVFWHFGZQG-VIFPVBQESA-N 0 0 341.414 2.670 10 5 EFBERN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccccn1 ZINC000596310796 479249792 /nfs/dbraw/zinc/24/97/92/479249792.db2.gz AKMAJZZYLUNSCZ-LLVKDONJSA-N 0 0 335.385 2.609 10 5 EFBERN COc1cc(NCCC2(CS(C)(=O)=O)CC2)c([N+](=O)[O-])cc1C ZINC000596315400 479250453 /nfs/dbraw/zinc/25/04/53/479250453.db2.gz BZAUXRYNNNOCQZ-UHFFFAOYSA-N 0 0 342.417 2.539 10 5 EFBERN CO[C@H](CNc1cc(C)nc2c1cccc2[N+](=O)[O-])[C@H]1CCOC1 ZINC000596315188 479250622 /nfs/dbraw/zinc/25/06/22/479250622.db2.gz ATXHCZJGCXYDJV-BLLLJJGKSA-N 0 0 331.372 2.915 10 5 EFBERN CO[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CCOC1 ZINC000596316262 479251837 /nfs/dbraw/zinc/25/18/37/479251837.db2.gz DILHOCZRKHWRBW-DOMZBBRYSA-N 0 0 349.412 2.604 10 5 EFBERN COC[C@@H](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)OC ZINC000596319985 479252503 /nfs/dbraw/zinc/25/25/03/479252503.db2.gz JFDDIFMADYTREE-CQSZACIVSA-N 0 0 331.372 2.542 10 5 EFBERN CO[C@H](CNc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000596318626 479252510 /nfs/dbraw/zinc/25/25/10/479252510.db2.gz PGMDOUMGYIRQPW-NOZJJQNGSA-N 0 0 345.193 2.821 10 5 EFBERN CS(=O)(=O)CC1(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000596318015 479253010 /nfs/dbraw/zinc/25/30/10/479253010.db2.gz WYEDNGWAGCVFTQ-UHFFFAOYSA-N 0 0 332.809 2.875 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Cn2c(=O)sc3c2CCCC3)c1 ZINC000593235039 479253691 /nfs/dbraw/zinc/25/36/91/479253691.db2.gz AGHXDTSTOPNCDH-UHFFFAOYSA-N 0 0 348.380 2.532 10 5 EFBERN Cc1cc(N2CC[C@@H](Cn3ccnn3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596321304 479254071 /nfs/dbraw/zinc/25/40/71/479254071.db2.gz HZDXAOLRDAVHBT-CYBMUJFWSA-N 0 0 338.371 2.569 10 5 EFBERN O=[N+]([O-])c1cc(N2CC[C@H](Cn3ccnn3)C2)ccc1C(F)(F)F ZINC000596321287 479254122 /nfs/dbraw/zinc/25/41/22/479254122.db2.gz HQOMCGXZDWYANB-JTQLQIEISA-N 0 0 341.293 2.732 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593237019 479255268 /nfs/dbraw/zinc/25/52/68/479255268.db2.gz GXSFREXJNCADHN-UHFFFAOYSA-N 0 0 347.268 2.805 10 5 EFBERN CO[C@H](CSCCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596332902 479257199 /nfs/dbraw/zinc/25/71/99/479257199.db2.gz CDBHFZKXAJARMM-IUODEOHRSA-N 0 0 327.402 2.758 10 5 EFBERN C[C@]1(C2CC2)CN(c2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000596334650 479257345 /nfs/dbraw/zinc/25/73/45/479257345.db2.gz LCIMYOXHRYRPFZ-CYBMUJFWSA-N 0 0 342.193 2.758 10 5 EFBERN CCOC(=O)c1cc(N2CCO[C@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596334188 479257449 /nfs/dbraw/zinc/25/74/49/479257449.db2.gz GVUKMLVJDMEDPF-KRWDZBQOSA-N 0 0 334.372 2.777 10 5 EFBERN CC[C@@H](OCCNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593248408 479259598 /nfs/dbraw/zinc/25/95/98/479259598.db2.gz BEKPVHGAGOPAMC-MRXNPFEDSA-N 0 0 329.356 2.888 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000611005693 479259956 /nfs/dbraw/zinc/25/99/56/479259956.db2.gz HVBCDMLOEYHNCR-RYUDHWBXSA-N 0 0 329.356 2.575 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ncccc3C2)c1 ZINC000611007327 479260497 /nfs/dbraw/zinc/26/04/97/479260497.db2.gz FYKQPGJDMDCOFL-UHFFFAOYSA-N 0 0 329.381 2.910 10 5 EFBERN CC[C@@H]1CO[C@@H](CC)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593256058 479262366 /nfs/dbraw/zinc/26/23/66/479262366.db2.gz HQBYTWKFBJMELA-PWSUYJOCSA-N 0 0 342.342 2.832 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000596357694 479264048 /nfs/dbraw/zinc/26/40/48/479264048.db2.gz QOHITKOBCLOHBQ-CVEARBPZSA-N 0 0 347.415 2.520 10 5 EFBERN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000596357964 479264525 /nfs/dbraw/zinc/26/45/25/479264525.db2.gz UYPYYFFAHYNRRG-ZIAGYGMSSA-N 0 0 349.431 2.576 10 5 EFBERN CC[C@H](NC(=O)N[C@]12C[C@H]1COC2(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602271511 479264532 /nfs/dbraw/zinc/26/45/32/479264532.db2.gz YDLRFKTZZOFTEP-RVSPLBMKSA-N 0 0 333.388 2.913 10 5 EFBERN C[S@](=O)[C@@H]1CCC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000596365435 479266722 /nfs/dbraw/zinc/26/67/22/479266722.db2.gz IGDYZASLCYSSIN-BTELXILVSA-N 0 0 337.445 2.970 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@H](CO)Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596366383 479268154 /nfs/dbraw/zinc/26/81/54/479268154.db2.gz KNGMKHQCSJKGRZ-PXWWUCIGSA-N 0 0 330.331 2.851 10 5 EFBERN COc1cc(N[C@@H]2CCC[C@H]([S@@](C)=O)C2)c([N+](=O)[O-])cc1F ZINC000596374804 479272083 /nfs/dbraw/zinc/27/20/83/479272083.db2.gz OITWTJLAFCWGLZ-BNJANLQDSA-N 0 0 330.381 2.844 10 5 EFBERN COc1cc(C(=O)N[C@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593279162 479272425 /nfs/dbraw/zinc/27/24/25/479272425.db2.gz HYVLWRQUSJXHDL-MRXNPFEDSA-N 0 0 334.372 2.538 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](C1CC1)C1CCOCC1 ZINC000593280685 479274452 /nfs/dbraw/zinc/27/44/52/479274452.db2.gz JLIVIDAYDIOYFK-GOSISDBHSA-N 0 0 348.399 2.685 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593282054 479275556 /nfs/dbraw/zinc/27/55/56/479275556.db2.gz WXMVGPAHNDSZTH-QGZVFWFLSA-N 0 0 348.399 2.929 10 5 EFBERN COCc1ccnc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000593288552 479276953 /nfs/dbraw/zinc/27/69/53/479276953.db2.gz MHJSOCLUCANQEB-UHFFFAOYSA-N 0 0 330.344 2.500 10 5 EFBERN CC[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C)[S@]1=O ZINC000574395636 479277986 /nfs/dbraw/zinc/27/79/86/479277986.db2.gz ISDXSCPMDQACEK-IWIWMGDJSA-N 0 0 337.445 2.604 10 5 EFBERN CO[C@H]1C[C@@H](N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000557443137 479278626 /nfs/dbraw/zinc/27/86/26/479278626.db2.gz UKKUJXNFWVFGKF-JLLWLGSASA-N 0 0 342.779 2.651 10 5 EFBERN CCC(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)(C1CC1)C1CC1 ZINC000599396412 479283359 /nfs/dbraw/zinc/28/33/59/479283359.db2.gz JGOLXRQJJJGSIV-UHFFFAOYSA-N 0 0 338.429 2.983 10 5 EFBERN C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C2(CCC2)CO1 ZINC000593315939 479289668 /nfs/dbraw/zinc/28/96/68/479289668.db2.gz HVCFMFXRTFKDSM-ZDUSSCGKSA-N 0 0 343.383 2.720 10 5 EFBERN CCc1cc(CCCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)on1 ZINC000574451924 479289983 /nfs/dbraw/zinc/28/99/83/479289983.db2.gz VZYQGQBPQSFSAC-UHFFFAOYSA-N 0 0 344.327 2.595 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000593315447 479290155 /nfs/dbraw/zinc/29/01/55/479290155.db2.gz JZWZWOGLKBIABC-PBHICJAKSA-N 0 0 341.367 2.948 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593316909 479291065 /nfs/dbraw/zinc/29/10/65/479291065.db2.gz MEWKDGSMTPYHHU-LBPRGKRZSA-N 0 0 345.399 2.953 10 5 EFBERN C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593316641 479291125 /nfs/dbraw/zinc/29/11/25/479291125.db2.gz LJFAAHBGABAUCL-CYBMUJFWSA-N 0 0 334.372 2.534 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000593316625 479291499 /nfs/dbraw/zinc/29/14/99/479291499.db2.gz RYWBKTLQOJBRNX-WBVHZDCISA-N 0 0 341.367 2.569 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@H](O)C(F)(F)C2)cc1C(F)(F)F ZINC000596429197 479291707 /nfs/dbraw/zinc/29/17/07/479291707.db2.gz KVAHPJXSXFVIIQ-SNVBAGLBSA-N 0 0 326.221 2.820 10 5 EFBERN CO[C@@]1(CO)CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596429112 479291864 /nfs/dbraw/zinc/29/18/64/479291864.db2.gz JGRABCUOTGYEDI-ZDUSSCGKSA-N 0 0 334.294 2.591 10 5 EFBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cscn1 ZINC000596430912 479293241 /nfs/dbraw/zinc/29/32/41/479293241.db2.gz KSIGHFMKZFLLDB-MRVPVSSYSA-N 0 0 327.387 2.628 10 5 EFBERN CC(C)NC(=O)c1ccc(N2CC3(CCC3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596435754 479294680 /nfs/dbraw/zinc/29/46/80/479294680.db2.gz IAZDHXTUHPWGFW-ZDUSSCGKSA-N 0 0 347.415 2.881 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)C2(CO)CC2)ccc1[N+](=O)[O-] ZINC000596436426 479294932 /nfs/dbraw/zinc/29/49/32/479294932.db2.gz JNGQESQEORLDQF-MRVPVSSYSA-N 0 0 328.752 2.608 10 5 EFBERN CCOC(=O)CC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000557628431 479295417 /nfs/dbraw/zinc/29/54/17/479295417.db2.gz XZDPFCRNSQRNBD-LLVKDONJSA-N 0 0 338.360 2.834 10 5 EFBERN COCC1(C2CCC2)CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000596439443 479295741 /nfs/dbraw/zinc/29/57/41/479295741.db2.gz BPDBYVRLNHMQDR-UHFFFAOYSA-N 0 0 334.401 2.852 10 5 EFBERN Cn1ncc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C(F)F ZINC000611158667 479297883 /nfs/dbraw/zinc/29/78/83/479297883.db2.gz YBXCCUPLCCVYPV-UHFFFAOYSA-N 0 0 349.297 2.928 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(C)c1C(F)F ZINC000611163377 479298238 /nfs/dbraw/zinc/29/82/38/479298238.db2.gz SWGGYJXHXWYCQP-UHFFFAOYSA-N 0 0 339.302 2.930 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ncnn21 ZINC000596445945 479298332 /nfs/dbraw/zinc/29/83/32/479298332.db2.gz AYQJTXVBGPVVMQ-HQJQHLMTSA-N 0 0 336.739 2.667 10 5 EFBERN CCOC(=O)Cc1ccc(NCCO[C@@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000596448271 479299492 /nfs/dbraw/zinc/29/94/92/479299492.db2.gz QTCCIPTXDQPJGD-CYBMUJFWSA-N 0 0 344.314 2.537 10 5 EFBERN CC[C@@H](NC(=O)N1CCc2nccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000596453662 479300539 /nfs/dbraw/zinc/30/05/39/479300539.db2.gz JNZLNIJNMCMJAW-CQSZACIVSA-N 0 0 341.371 2.604 10 5 EFBERN CC[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596453148 479300640 /nfs/dbraw/zinc/30/06/40/479300640.db2.gz GXUDRGHENMBIHV-KMFMINBZSA-N 0 0 333.388 2.724 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000596453125 479301014 /nfs/dbraw/zinc/30/10/14/479301014.db2.gz GQRNEKPIBWZAEM-IATRGZMQSA-N 0 0 335.404 2.623 10 5 EFBERN COc1ccc(S(=O)(=O)NCC[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000599445026 479301012 /nfs/dbraw/zinc/30/10/12/479301012.db2.gz JLGCWTIOYKPWHM-LBPRGKRZSA-N 0 0 340.401 2.628 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000596455724 479301956 /nfs/dbraw/zinc/30/19/56/479301956.db2.gz WLCOKTYXQRCLKI-OPFPJEHXSA-N 0 0 335.404 2.815 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@@](O)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456161 479302777 /nfs/dbraw/zinc/30/27/77/479302777.db2.gz ZIZQQHDTGWNYKO-WMZOPIPTSA-N 0 0 347.415 2.992 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](C(F)F)C1 ZINC000611180302 479303536 /nfs/dbraw/zinc/30/35/36/479303536.db2.gz WQANRGBNHNOJGB-VHSXEESVSA-N 0 0 343.330 2.517 10 5 EFBERN CCc1cccc(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000593340310 479303585 /nfs/dbraw/zinc/30/35/85/479303585.db2.gz NTQLLMKBFALJCO-UHFFFAOYSA-N 0 0 330.388 2.677 10 5 EFBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000611180679 479305274 /nfs/dbraw/zinc/30/52/74/479305274.db2.gz OWDFSZOFTYYEFR-JTQLQIEISA-N 0 0 325.315 2.653 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000596465281 479305809 /nfs/dbraw/zinc/30/58/09/479305809.db2.gz LJVPEFCRYTYMOC-NXEZZACHSA-N 0 0 332.809 2.934 10 5 EFBERN C[C@H]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000596463506 479305858 /nfs/dbraw/zinc/30/58/58/479305858.db2.gz DRJZEAYCLDRIID-QWRGUYRKSA-N 0 0 335.385 2.521 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2c(OC)cccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000574531646 479306035 /nfs/dbraw/zinc/30/60/35/479306035.db2.gz TXLFISGCNHNANB-PEYYIBSZSA-N 0 0 332.360 2.631 10 5 EFBERN Cc1cccc([C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)c1 ZINC000599465930 479306749 /nfs/dbraw/zinc/30/67/49/479306749.db2.gz VXLDUZLYRMRAPV-OAHLLOKOSA-N 0 0 349.412 2.974 10 5 EFBERN C[C@H]1CC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CS1(=O)=O ZINC000596467387 479307244 /nfs/dbraw/zinc/30/72/44/479307244.db2.gz XODYLDKCIWGWSI-WDEREUQCSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CS1(=O)=O ZINC000596467015 479307410 /nfs/dbraw/zinc/30/74/10/479307410.db2.gz VFNJUNSMJOTDNT-MNOVXSKESA-N 0 0 335.385 2.521 10 5 EFBERN COc1cc(C(=O)N2CC[C@@]3(CC3(F)F)C2)cc([N+](=O)[O-])c1C ZINC000593354474 479308080 /nfs/dbraw/zinc/30/80/80/479308080.db2.gz SJPNSNATGWGLKS-CQSZACIVSA-N 0 0 326.299 2.783 10 5 EFBERN Cc1cc(OCC(=O)N2CC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593352629 479308440 /nfs/dbraw/zinc/30/84/40/479308440.db2.gz GSOLJXMGROUDOL-CQSZACIVSA-N 0 0 326.299 2.540 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593357134 479308923 /nfs/dbraw/zinc/30/89/23/479308923.db2.gz YHRCIBGDEFYHPA-CYBMUJFWSA-N 0 0 328.340 2.945 10 5 EFBERN CCc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000611201431 479309137 /nfs/dbraw/zinc/30/91/37/479309137.db2.gz QGCRZFGBFKQXFD-UHFFFAOYSA-N 0 0 330.344 2.764 10 5 EFBERN Cc1c(Br)c(NC[C@@H]2CCC[C@H](C)O2)ncc1[N+](=O)[O-] ZINC000596472993 479309500 /nfs/dbraw/zinc/30/95/00/479309500.db2.gz DORKRSDONXLGBH-WPRPVWTQSA-N 0 0 344.209 2.852 10 5 EFBERN COC(=O)c1cc(NCc2c(C3CC3)cnn2C)cc(C)c1[N+](=O)[O-] ZINC000596471983 479309727 /nfs/dbraw/zinc/30/97/27/479309727.db2.gz HYJIFQKWUBOATJ-UHFFFAOYSA-N 0 0 344.371 2.913 10 5 EFBERN Cc1c(Br)c(NC[C@@H]2CCC[C@@H](C)O2)ncc1[N+](=O)[O-] ZINC000596472991 479309841 /nfs/dbraw/zinc/30/98/41/479309841.db2.gz DORKRSDONXLGBH-SCZZXKLOSA-N 0 0 344.209 2.852 10 5 EFBERN CS(=O)(=O)c1ccc(N2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000596477602 479310494 /nfs/dbraw/zinc/31/04/94/479310494.db2.gz DMLKWMOUGVHNPU-LLVKDONJSA-N 0 0 330.381 2.574 10 5 EFBERN C[C@H]1CCC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000596475144 479310733 /nfs/dbraw/zinc/31/07/33/479310733.db2.gz RQDWJEGTNHMIPH-GOEBONIOSA-N 0 0 349.431 2.797 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NCC2(S(C)(=O)=O)CCCCC2)n1 ZINC000596475598 479310981 /nfs/dbraw/zinc/31/09/81/479310981.db2.gz ZILIEQGSWPFJDL-UHFFFAOYSA-N 0 0 341.433 2.766 10 5 EFBERN Cc1c(Br)c(N2C[C@H]3COC[C@]3(C)C2)ncc1[N+](=O)[O-] ZINC000596479802 479311366 /nfs/dbraw/zinc/31/13/66/479311366.db2.gz KVRWDIVGPYMMHN-ZANVPECISA-N 0 0 342.193 2.533 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCC[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000596479066 479311584 /nfs/dbraw/zinc/31/15/84/479311584.db2.gz IUVUODHLLFQDAY-NSHDSACASA-N 0 0 325.340 2.661 10 5 EFBERN O=C(NCc1cn[nH]n1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611211085 479311765 /nfs/dbraw/zinc/31/17/65/479311765.db2.gz GGUQTLMIRUWCQL-UHFFFAOYSA-N 0 0 347.400 2.678 10 5 EFBERN C[C@@]1(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1(F)F ZINC000596480173 479311971 /nfs/dbraw/zinc/31/19/71/479311971.db2.gz XBGDYOBZGVDVPL-GFCCVEGCSA-N 0 0 334.344 2.846 10 5 EFBERN C[C@]1(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1(F)F ZINC000596480174 479312007 /nfs/dbraw/zinc/31/20/07/479312007.db2.gz XBGDYOBZGVDVPL-LBPRGKRZSA-N 0 0 334.344 2.846 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@]3(O)C[C@H]3C2)nc1OCc1ccccc1 ZINC000596481888 479312232 /nfs/dbraw/zinc/31/22/32/479312232.db2.gz KWQNTUZWTSUWBL-KBXCAEBGSA-N 0 0 341.367 2.530 10 5 EFBERN Cc1ccc(CC2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)cc1 ZINC000596485802 479313559 /nfs/dbraw/zinc/31/35/59/479313559.db2.gz QKWQGJNIRDVWBE-UHFFFAOYSA-N 0 0 325.368 2.681 10 5 EFBERN Cn1cc(C[C@H]2CCC[C@H]2Nc2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000596486144 479313584 /nfs/dbraw/zinc/31/35/84/479313584.db2.gz DXAZDZKANHRCEM-VXGBXAGGSA-N 0 0 346.416 2.861 10 5 EFBERN CS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCOC3)c([N+](=O)[O-])c1 ZINC000596486371 479314316 /nfs/dbraw/zinc/31/43/16/479314316.db2.gz WMFIGAHLOWOBSO-UHFFFAOYSA-N 0 0 348.380 2.815 10 5 EFBERN CC[C@H](NC(=O)N1CCC(C2(O)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593369816 479315477 /nfs/dbraw/zinc/31/54/77/479315477.db2.gz GSZKDKGOYWQYLO-INIZCTEOSA-N 0 0 347.415 2.992 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C12CCC2 ZINC000596495895 479316921 /nfs/dbraw/zinc/31/69/21/479316921.db2.gz YHPFWPZBHCOCPC-NWDGAFQWSA-N 0 0 345.403 2.598 10 5 EFBERN COc1ccccc1[C@@H]1C[C@H]1Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596496781 479317019 /nfs/dbraw/zinc/31/70/19/479317019.db2.gz HBLIXFBHGUBGRC-DZGCQCFKSA-N 0 0 329.356 2.646 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2ccnc(SC)c2)cc([N+](=O)[O-])c1 ZINC000611231512 479317522 /nfs/dbraw/zinc/31/75/22/479317522.db2.gz SAIXDEFAHOHNQL-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN CSc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccn1 ZINC000611231474 479317556 /nfs/dbraw/zinc/31/75/56/479317556.db2.gz LCJDRYZOZHACBA-UHFFFAOYSA-N 0 0 347.352 2.735 10 5 EFBERN CCOC(=O)c1cc(NCCc2cncc(C)n2)ccc1[N+](=O)[O-] ZINC000596498043 479317843 /nfs/dbraw/zinc/31/78/43/479317843.db2.gz IDQZKLICDHMZPE-UHFFFAOYSA-N 0 0 330.344 2.525 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000596500447 479319105 /nfs/dbraw/zinc/31/91/05/479319105.db2.gz CVDZDRRIWWACDA-HNNXBMFYSA-N 0 0 326.356 2.696 10 5 EFBERN CNC(=O)c1ccc(NCc2c(C3CCC3)cnn2C)c([N+](=O)[O-])c1 ZINC000596501607 479319116 /nfs/dbraw/zinc/31/91/16/479319116.db2.gz JLJDDRAIADLWQL-UHFFFAOYSA-N 0 0 343.387 2.568 10 5 EFBERN CC(=O)c1cc(N2CCO[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596505337 479320846 /nfs/dbraw/zinc/32/08/46/479320846.db2.gz YEOATSPQIGQWEZ-AMIZOPFISA-N 0 0 332.278 2.953 10 5 EFBERN C[C@@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000599531076 479322688 /nfs/dbraw/zinc/32/26/88/479322688.db2.gz HGDAWICHFQGTOR-UWVGGRQHSA-N 0 0 346.309 2.591 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000596514787 479324177 /nfs/dbraw/zinc/32/41/77/479324177.db2.gz GEZJRZIVOOMKBW-IAGOWNOFSA-N 0 0 331.416 2.959 10 5 EFBERN COC(=O)c1cc(C)nc(N2CC3(CCCC3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596516178 479324390 /nfs/dbraw/zinc/32/43/90/479324390.db2.gz SIWWFOPFZWZQOJ-LBPRGKRZSA-N 0 0 349.387 2.623 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCOC(C4CC4)(C4CC4)C3)nc2c1 ZINC000596515293 479324408 /nfs/dbraw/zinc/32/44/08/479324408.db2.gz UHQBOSKLVRIAEH-UHFFFAOYSA-N 0 0 328.372 2.867 10 5 EFBERN CC(C)[C@H](O)[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000596517161 479325409 /nfs/dbraw/zinc/32/54/09/479325409.db2.gz ZVDZLLGKPBUPLJ-SJORKVTESA-N 0 0 343.383 2.864 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2cccnc2)CC1 ZINC000611256189 479325795 /nfs/dbraw/zinc/32/57/95/479325795.db2.gz KFBKZHHGEQLLIB-UHFFFAOYSA-N 0 0 341.367 2.775 10 5 EFBERN CCS(=O)(=O)C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000596521216 479326524 /nfs/dbraw/zinc/32/65/24/479326524.db2.gz MWMQQWJPIWZULW-UHFFFAOYSA-N 0 0 335.385 2.522 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](c2nccn2C)C2CCOCC2)n1 ZINC000585785400 479326723 /nfs/dbraw/zinc/32/67/23/479326723.db2.gz FCHDUYSDPNJEBS-CQSZACIVSA-N 0 0 345.403 2.920 10 5 EFBERN CCOC(=O)[C@H]1c2ccoc2CCN1Cc1csc([N+](=O)[O-])c1 ZINC000599547876 479327085 /nfs/dbraw/zinc/32/70/85/479327085.db2.gz GVAKRFXYPNYSCS-CQSZACIVSA-N 0 0 336.369 2.912 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCC(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000611258435 479327729 /nfs/dbraw/zinc/32/77/29/479327729.db2.gz PJHJXXHPVDSQGC-UHFFFAOYSA-N 0 0 343.387 2.856 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](F)C1 ZINC000593405853 479327877 /nfs/dbraw/zinc/32/78/77/479327877.db2.gz BABRZMKAHINFCC-LBPRGKRZSA-N 0 0 334.351 2.762 10 5 EFBERN CCOC(=O)[C@@H]1c2ccoc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000599548762 479328625 /nfs/dbraw/zinc/32/86/25/479328625.db2.gz QRGNXMYHKANPKK-KRWDZBQOSA-N 0 0 344.367 2.893 10 5 EFBERN CCOC(=O)[C@H]1c2ccoc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000599548764 479328827 /nfs/dbraw/zinc/32/88/27/479328827.db2.gz QRGNXMYHKANPKK-QGZVFWFLSA-N 0 0 344.367 2.893 10 5 EFBERN O=c1[nH]cnc2cc(N3CCC(c4ccon4)CC3)c([N+](=O)[O-])cc12 ZINC000596527883 479329012 /nfs/dbraw/zinc/32/90/12/479329012.db2.gz XSINXVMJSXMWKB-UHFFFAOYSA-N 0 0 341.327 2.616 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H]3COC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596530640 479329743 /nfs/dbraw/zinc/32/97/43/479329743.db2.gz VJFVBDQZAJDYOV-NXEZZACHSA-N 0 0 340.763 2.508 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553146 479331096 /nfs/dbraw/zinc/33/10/96/479331096.db2.gz OQTNMKJDQZKRBL-KGLIPLIRSA-N 0 0 335.429 2.812 10 5 EFBERN O=C1N(CCNc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000596535473 479332002 /nfs/dbraw/zinc/33/20/02/479332002.db2.gz RISOUDAGIFZTSA-GFCCVEGCSA-N 0 0 338.795 2.950 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596536246 479332237 /nfs/dbraw/zinc/33/22/37/479332237.db2.gz NVXVXEZXCOYCCB-CQSZACIVSA-N 0 0 342.399 2.884 10 5 EFBERN O=[N+]([O-])c1ccccc1OCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593420066 479332615 /nfs/dbraw/zinc/33/26/15/479332615.db2.gz AVNYQHBFBUQMCL-UHFFFAOYSA-N 0 0 348.380 2.615 10 5 EFBERN C[C@H](NC(=O)NCC1(O)CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000596539531 479332935 /nfs/dbraw/zinc/33/29/35/479332935.db2.gz DAYZMMKRUDVESZ-JZLYGMAVSA-N 0 0 335.404 2.896 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nc(C)c(C)c(=O)[nH]2)c1 ZINC000593423470 479333986 /nfs/dbraw/zinc/33/39/86/479333986.db2.gz WCWSGWHVVNIJQM-UHFFFAOYSA-N 0 0 349.368 2.786 10 5 EFBERN COc1cc(NCC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])cc1F ZINC000596542808 479334651 /nfs/dbraw/zinc/33/46/51/479334651.db2.gz IWZQCGFCDRUDCY-UHFFFAOYSA-N 0 0 339.367 2.980 10 5 EFBERN C[C@@]1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCOC1 ZINC000574714151 479334767 /nfs/dbraw/zinc/33/47/67/479334767.db2.gz QCTKNLWLTNYJRH-FQEVSTJZSA-N 0 0 336.391 2.838 10 5 EFBERN COc1ccc(Cn2c(=O)oc3cc(C(C)=O)ccc32)cc1[N+](=O)[O-] ZINC000585814441 479335901 /nfs/dbraw/zinc/33/59/01/479335901.db2.gz VHISWKMCCMSBED-UHFFFAOYSA-N 0 0 342.307 2.762 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@@H](CC(F)(F)F)C3)nc2c1 ZINC000596559418 479338780 /nfs/dbraw/zinc/33/87/80/479338780.db2.gz YEBSHCGPZMBRLU-VIFPVBQESA-N 0 0 330.266 2.629 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1N1CCO[C@H](CC(F)(F)F)C1)CCN2 ZINC000596559087 479339023 /nfs/dbraw/zinc/33/90/23/479339023.db2.gz WFQLQAIKCRHUCL-SECBINFHSA-N 0 0 331.294 2.720 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCO[C@H](CC(F)(F)F)C3)nc2c1 ZINC000596559417 479339483 /nfs/dbraw/zinc/33/94/83/479339483.db2.gz YEBSHCGPZMBRLU-SECBINFHSA-N 0 0 330.266 2.629 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N3CCO[C@H](CC(F)(F)F)C3)c2c1 ZINC000596558264 479339585 /nfs/dbraw/zinc/33/95/85/479339585.db2.gz PMVQUNPXGSPKFM-SNVBAGLBSA-N 0 0 342.277 2.696 10 5 EFBERN Nc1cc(N2CC3CC2(c2ccccc2)C3)cc(CO)c1[N+](=O)[O-] ZINC000596563899 479341780 /nfs/dbraw/zinc/34/17/80/479341780.db2.gz PTRSYGFWHRMHPV-UHFFFAOYSA-N 0 0 325.368 2.795 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSCc1cnn(C)c1 ZINC000593439132 479342080 /nfs/dbraw/zinc/34/20/80/479342080.db2.gz ZOFSWGWSLJDBCZ-UHFFFAOYSA-N 0 0 334.401 2.899 10 5 EFBERN CC(C)Oc1nc(N[C@H](c2ccccc2)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000596567118 479342213 /nfs/dbraw/zinc/34/22/13/479342213.db2.gz OZTOHTPPCXRKSW-LRDDRELGSA-N 0 0 331.372 2.733 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(N3C[C@]45COC[C@@]4(C3)CCCC5)c21 ZINC000596567693 479342301 /nfs/dbraw/zinc/34/23/01/479342301.db2.gz OFSVOAYXUOOOFP-HDICACEKSA-N 0 0 340.383 2.935 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](c2ccccc2)[C@@H](C)O)c1[N+](=O)[O-] ZINC000596566772 479342814 /nfs/dbraw/zinc/34/28/14/479342814.db2.gz MHEZYNXMBBWUFO-BXUZGUMPSA-N 0 0 345.355 2.701 10 5 EFBERN CCOc1cccc(N2CCc3c(cccc3C(N)=O)C2)c1[N+](=O)[O-] ZINC000596569177 479343520 /nfs/dbraw/zinc/34/35/20/479343520.db2.gz RRCLARIIEPEJAH-UHFFFAOYSA-N 0 0 341.367 2.655 10 5 EFBERN Cc1sc(C(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000611303757 479343666 /nfs/dbraw/zinc/34/36/66/479343666.db2.gz SGFZIHNCXGYJEI-GWCFXTLKSA-N 0 0 334.397 2.859 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)[C@H](C)c1ccccc1 ZINC000611303797 479344008 /nfs/dbraw/zinc/34/40/08/479344008.db2.gz XXTGHKWSZWZRDW-DYVFJYSZSA-N 0 0 328.368 2.798 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000611306664 479344511 /nfs/dbraw/zinc/34/45/11/479344511.db2.gz UNRUFCABSGLXBJ-MRXNPFEDSA-N 0 0 330.388 2.831 10 5 EFBERN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@](C)(C(F)F)O1 ZINC000596574962 479344904 /nfs/dbraw/zinc/34/49/04/479344904.db2.gz RVANTLPVHWXAEG-PSLIRLAXSA-N 0 0 327.331 2.812 10 5 EFBERN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@](C)(C(F)F)O1 ZINC000596574765 479345067 /nfs/dbraw/zinc/34/50/67/479345067.db2.gz RCVQWSPLVGEGFL-PSLIRLAXSA-N 0 0 338.314 2.787 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1C(F)(F)F ZINC000599596830 479346583 /nfs/dbraw/zinc/34/65/83/479346583.db2.gz SLPJFNYBPNUPML-NSHDSACASA-N 0 0 331.294 2.868 10 5 EFBERN CN(C(=O)CN1CCC[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599597090 479346609 /nfs/dbraw/zinc/34/66/09/479346609.db2.gz VOPZILIHNSLDQK-LBPRGKRZSA-N 0 0 331.294 2.584 10 5 EFBERN Cc1c(CNC(=O)NC[C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000596579916 479346836 /nfs/dbraw/zinc/34/68/36/479346836.db2.gz RHUHAWFEAMCKTA-LBPRGKRZSA-N 0 0 328.372 2.901 10 5 EFBERN CCCNC(=O)C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456420 479348105 /nfs/dbraw/zinc/34/81/05/479348105.db2.gz DGJNMIXPBYBPFC-UHFFFAOYSA-N 0 0 342.399 2.886 10 5 EFBERN CC(C)(c1nc(CCNc2ccccc2[N+](=O)[O-])no1)n1cccn1 ZINC000596585078 479348629 /nfs/dbraw/zinc/34/86/29/479348629.db2.gz XSPNNGGKJKTFNV-UHFFFAOYSA-N 0 0 342.359 2.612 10 5 EFBERN O=C(NC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1)C1CC1 ZINC000593457068 479349576 /nfs/dbraw/zinc/34/95/76/479349576.db2.gz IVYLYBUQVFWJHZ-UHFFFAOYSA-N 0 0 340.383 2.638 10 5 EFBERN Cn1cnnc1[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593458077 479349748 /nfs/dbraw/zinc/34/97/48/479349748.db2.gz PACIFARAAHQERC-LBPRGKRZSA-N 0 0 338.371 2.656 10 5 EFBERN COC(=O)CC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593458488 479349943 /nfs/dbraw/zinc/34/99/43/479349943.db2.gz RCZITYSCABHZCQ-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN CCOC(=O)C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593458811 479350141 /nfs/dbraw/zinc/35/01/41/479350141.db2.gz NVIAOQAEXUKRAH-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000586777260 479350255 /nfs/dbraw/zinc/35/02/55/479350255.db2.gz JFBMNNWIPBTBMO-GWCFXTLKSA-N 0 0 334.294 2.625 10 5 EFBERN COc1ccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000586777434 479350649 /nfs/dbraw/zinc/35/06/49/479350649.db2.gz OXSCYTDEIXSDBT-RNCFNFMXSA-N 0 0 334.294 2.755 10 5 EFBERN Cc1ccc(C[C@@H]2CCCN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000611335095 479350739 /nfs/dbraw/zinc/35/07/39/479350739.db2.gz QFVWQTLCBYQXLM-HNNXBMFYSA-N 0 0 342.399 2.732 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[C@H](OC)C3)n2)c1 ZINC000596593888 479351577 /nfs/dbraw/zinc/35/15/77/479351577.db2.gz TVLOSPNONAMUES-JQWIXIFHSA-N 0 0 333.344 2.860 10 5 EFBERN CCCCCc1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)n[nH]1 ZINC000596592182 479351628 /nfs/dbraw/zinc/35/16/28/479351628.db2.gz KYXCEHWUPYSRKK-UHFFFAOYSA-N 0 0 331.336 2.501 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000586778002 479351729 /nfs/dbraw/zinc/35/17/29/479351729.db2.gz IQOMITYKWRBFOA-ZANVPECISA-N 0 0 334.294 2.755 10 5 EFBERN O=C1CCCN1[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593462830 479351804 /nfs/dbraw/zinc/35/18/04/479351804.db2.gz GXSHJMPPRJPHAG-AWEZNQCLSA-N 0 0 340.383 2.734 10 5 EFBERN C[C@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)[C@H](C)N1CCOCC1 ZINC000593461961 479352051 /nfs/dbraw/zinc/35/20/51/479352051.db2.gz WMSCRHHYDLFLBO-STQMWFEESA-N 0 0 330.388 2.664 10 5 EFBERN COc1cc(Cc2noc([C@]34C[C@H]3COC4(C)C)n2)ccc1[N+](=O)[O-] ZINC000596596772 479352520 /nfs/dbraw/zinc/35/25/20/479352520.db2.gz UUFQYIWSKFYIBL-GTNSWQLSSA-N 0 0 345.355 2.644 10 5 EFBERN COCCOC[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593464218 479352709 /nfs/dbraw/zinc/35/27/09/479352709.db2.gz GKRSYMLDRMQLBB-CYBMUJFWSA-N 0 0 331.372 2.632 10 5 EFBERN Cn1ncc2c1CC(C)(C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000596599225 479353255 /nfs/dbraw/zinc/35/32/55/479353255.db2.gz RKFRQNYMAXKQQI-UHFFFAOYSA-N 0 0 344.415 2.792 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCOC2(CCOCC2)CC1 ZINC000593466175 479353516 /nfs/dbraw/zinc/35/35/16/479353516.db2.gz ATUKISUOTMXTJQ-UHFFFAOYSA-N 0 0 343.383 2.919 10 5 EFBERN C[C@@H]1C[C@H]1N1C[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593466606 479353939 /nfs/dbraw/zinc/35/39/39/479353939.db2.gz ZHURZDVRPPXLBO-GLKRBJQHSA-N 0 0 326.356 2.564 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H](OC(F)F)C1 ZINC000574825342 479355989 /nfs/dbraw/zinc/35/59/89/479355989.db2.gz CCFBIZNUQNMMEA-VIFPVBQESA-N 0 0 325.271 2.530 10 5 EFBERN CC12CC(C1)CN2C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596604274 479356382 /nfs/dbraw/zinc/35/63/82/479356382.db2.gz CTHSECSVHZPAPA-UHFFFAOYSA-N 0 0 328.372 2.813 10 5 EFBERN C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806006 479357973 /nfs/dbraw/zinc/35/79/73/479357973.db2.gz QFGVCFZMVIZCHX-STQMWFEESA-N 0 0 347.415 2.683 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ncccc3OC(C)C)no2)n1 ZINC000596612656 479358108 /nfs/dbraw/zinc/35/81/08/479358108.db2.gz QHOXAYXBCKCDRQ-UHFFFAOYSA-N 0 0 344.331 2.710 10 5 EFBERN C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806004 479358538 /nfs/dbraw/zinc/35/85/38/479358538.db2.gz QFGVCFZMVIZCHX-OLZOCXBDSA-N 0 0 347.415 2.683 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599627042 479359365 /nfs/dbraw/zinc/35/93/65/479359365.db2.gz VAFVFHXLXPOFEX-KIGUWFBYSA-N 0 0 332.360 2.546 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599627223 479359936 /nfs/dbraw/zinc/35/99/36/479359936.db2.gz VAFVFHXLXPOFEX-ZVXAKGHKSA-N 0 0 332.360 2.546 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000611372949 479360409 /nfs/dbraw/zinc/36/04/09/479360409.db2.gz WOQRUNCORSVNDK-LBPRGKRZSA-N 0 0 343.387 2.914 10 5 EFBERN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(F)C1 ZINC000586816520 479360441 /nfs/dbraw/zinc/36/04/41/479360441.db2.gz ZKLOOXRQYNUGCT-UHFFFAOYSA-N 0 0 331.141 2.850 10 5 EFBERN NC(=O)[C@H]1CC[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593480390 479360560 /nfs/dbraw/zinc/36/05/60/479360560.db2.gz WIROFKAPTHICHW-HAQNSBGRSA-N 0 0 328.372 2.847 10 5 EFBERN C[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000611377670 479361505 /nfs/dbraw/zinc/36/15/05/479361505.db2.gz ODSKYQGQRYQBHG-QVQLBTGDSA-N 0 0 332.381 2.823 10 5 EFBERN C[C@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1ccccc1[N+](=O)[O-] ZINC000611375989 479361781 /nfs/dbraw/zinc/36/17/81/479361781.db2.gz SRTPICSYOVLSLC-QWHCGFSZSA-N 0 0 343.387 2.968 10 5 EFBERN CCc1n[nH]cc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000586835935 479361892 /nfs/dbraw/zinc/36/18/92/479361892.db2.gz FZVIFLDPMSJKOT-UHFFFAOYSA-N 0 0 339.149 2.895 10 5 EFBERN Cc1cn2c(n1)C[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000599633988 479362019 /nfs/dbraw/zinc/36/20/19/479362019.db2.gz DQARTOBMJUZEFW-DZGCQCFKSA-N 0 0 342.399 2.848 10 5 EFBERN CNC(=O)C1(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000586834530 479362206 /nfs/dbraw/zinc/36/22/06/479362206.db2.gz UTBLGBJHSFXPNC-UHFFFAOYSA-N 0 0 333.388 2.747 10 5 EFBERN O=[N+]([O-])c1cnn(CCN2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000599634160 479362268 /nfs/dbraw/zinc/36/22/68/479362268.db2.gz GJCOWROJONGAOH-UHFFFAOYSA-N 0 0 340.305 2.868 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000596625287 479362448 /nfs/dbraw/zinc/36/24/48/479362448.db2.gz ATVZIWMHEMWCQO-LBPRGKRZSA-N 0 0 335.360 2.614 10 5 EFBERN Nc1c(F)c(NC[C@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000593484091 479362976 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Cc1cc(NCC[C@@]2(O)CCOC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000593495811 479366591 /nfs/dbraw/zinc/36/65/91/479366591.db2.gz JQFUHTDOGJYQIK-CYBMUJFWSA-N 0 0 334.294 2.875 10 5 EFBERN O=C(NC1CCOCC1)c1ccc(-c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000596637759 479366729 /nfs/dbraw/zinc/36/67/29/479366729.db2.gz OMEIWEJJENSJHX-UHFFFAOYSA-N 0 0 345.330 2.705 10 5 EFBERN COC(=O)[C@](C)(NCc1ncccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000599648161 479367250 /nfs/dbraw/zinc/36/72/50/479367250.db2.gz USHCCQWIQGCLMT-MRXNPFEDSA-N 0 0 349.774 2.821 10 5 EFBERN Nc1nc(N2CCCC[C@H]2Cc2ccccc2F)ncc1[N+](=O)[O-] ZINC000593500229 479367440 /nfs/dbraw/zinc/36/74/40/479367440.db2.gz NBZQKSCVPPTOES-LBPRGKRZSA-N 0 0 331.351 2.538 10 5 EFBERN C[C@@H]1C[C@H]1c1noc(CC2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000593501605 479367753 /nfs/dbraw/zinc/36/77/53/479367753.db2.gz JKNOVBNTJLAXAJ-DGCLKSJQSA-N 0 0 343.387 2.955 10 5 EFBERN C[C@H]1C[C@H]1c1noc(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000593500618 479368359 /nfs/dbraw/zinc/36/83/59/479368359.db2.gz DVJRYBQDYGEJCS-SMDDNHRTSA-N 0 0 343.387 2.955 10 5 EFBERN C[C@H]1C[C@@H]1c1noc(CC2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000593501604 479368468 /nfs/dbraw/zinc/36/84/68/479368468.db2.gz JKNOVBNTJLAXAJ-AAEUAGOBSA-N 0 0 343.387 2.955 10 5 EFBERN C[C@@H]1C[C@H]1c1noc(CC2CCN(c3cccnc3[N+](=O)[O-])CC2)n1 ZINC000593503707 479368705 /nfs/dbraw/zinc/36/87/05/479368705.db2.gz UJHVXWDAGDPVBZ-DGCLKSJQSA-N 0 0 343.387 2.955 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@H]2CCc3cncn3C2)cc1[N+](=O)[O-] ZINC000587056693 479369791 /nfs/dbraw/zinc/36/97/91/479369791.db2.gz MFPMRTOXBMUGKJ-CYBMUJFWSA-N 0 0 328.372 2.660 10 5 EFBERN COC(=O)c1cc(N2CCC([C@H](C)CO)CC2)cc(C)c1[N+](=O)[O-] ZINC000593506956 479370161 /nfs/dbraw/zinc/37/01/61/479370161.db2.gz WDQILKSZXWDTMR-GFCCVEGCSA-N 0 0 336.388 2.535 10 5 EFBERN COC(=O)c1cc(N2CCC([C@@H](C)CO)CC2)cc(C)c1[N+](=O)[O-] ZINC000593506957 479370559 /nfs/dbraw/zinc/37/05/59/479370559.db2.gz WDQILKSZXWDTMR-LBPRGKRZSA-N 0 0 336.388 2.535 10 5 EFBERN CC1(C)C(=O)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596646871 479370968 /nfs/dbraw/zinc/37/09/68/479370968.db2.gz ZVEKQFIHXNKSJK-KRWDZBQOSA-N 0 0 340.379 2.994 10 5 EFBERN CCC(=O)Nc1cccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587309544 479371173 /nfs/dbraw/zinc/37/11/73/479371173.db2.gz FCQHZNYSOQTADB-UHFFFAOYSA-N 0 0 344.371 2.630 10 5 EFBERN O=C1CCCN1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596647452 479371233 /nfs/dbraw/zinc/37/12/33/479371233.db2.gz LJLPGBBHBJOGLH-UHFFFAOYSA-N 0 0 326.352 2.923 10 5 EFBERN COC(=O)Cc1ccc(C)c(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000596647366 479371612 /nfs/dbraw/zinc/37/16/12/479371612.db2.gz HKPDZOLNWPPGJU-UHFFFAOYSA-N 0 0 329.352 2.821 10 5 EFBERN CCc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000587434188 479372395 /nfs/dbraw/zinc/37/23/95/479372395.db2.gz OTMJXHGAYQUCEJ-RNCFNFMXSA-N 0 0 346.305 2.949 10 5 EFBERN COC(=O)[C@@](C)(NCc1nc(C)c(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000599654606 479372579 /nfs/dbraw/zinc/37/25/79/479372579.db2.gz RWRUORFNBAJJRQ-INIZCTEOSA-N 0 0 349.412 2.846 10 5 EFBERN COCC1(CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000574914120 479372652 /nfs/dbraw/zinc/37/26/52/479372652.db2.gz ZFOQMYIUHYOXBX-UHFFFAOYSA-N 0 0 335.404 2.946 10 5 EFBERN CC(C)(C)OC(=O)c1cccc(CNc2ccncc2[N+](=O)[O-])c1 ZINC000611414920 479373481 /nfs/dbraw/zinc/37/34/81/479373481.db2.gz VDTDMVWVZKKIRW-UHFFFAOYSA-N 0 0 329.356 2.979 10 5 EFBERN COC(=O)[C@](C)(NCCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000599655747 479373492 /nfs/dbraw/zinc/37/34/92/479373492.db2.gz WUIANQJGIMILLL-GOSISDBHSA-N 0 0 346.358 2.954 10 5 EFBERN C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593519239 479374953 /nfs/dbraw/zinc/37/49/53/479374953.db2.gz XQNSZUISRIGCBT-NSHDSACASA-N 0 0 343.358 2.999 10 5 EFBERN COc1ccc(CN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1C ZINC000587862153 479376150 /nfs/dbraw/zinc/37/61/50/479376150.db2.gz NGBFKRIPWHVCHU-UHFFFAOYSA-N 0 0 331.372 2.623 10 5 EFBERN CC1(C)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H]2COC[C@H]2O1 ZINC000593522645 479376326 /nfs/dbraw/zinc/37/63/26/479376326.db2.gz SUOPQHKVUXIAKU-DGCLKSJQSA-N 0 0 344.314 2.579 10 5 EFBERN COc1ccc2c(c1)CCCN(c1cc(N)c([N+](=O)[O-])c(CO)c1)C2 ZINC000587866716 479376739 /nfs/dbraw/zinc/37/67/39/479376739.db2.gz QHAGPKZKEDAZFV-UHFFFAOYSA-N 0 0 343.383 2.631 10 5 EFBERN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524948 479376928 /nfs/dbraw/zinc/37/69/28/479376928.db2.gz XKPVDYMSAMJKFS-UHFFFAOYSA-N 0 0 335.385 2.589 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)nc1 ZINC000593528183 479378039 /nfs/dbraw/zinc/37/80/39/479378039.db2.gz PMIBWMRTKRVIHX-UHFFFAOYSA-N 0 0 347.396 2.558 10 5 EFBERN CC1(C)C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CO1 ZINC000596662803 479378080 /nfs/dbraw/zinc/37/80/80/479378080.db2.gz ZLVMHSYCPGNGPD-MRVPVSSYSA-N 0 0 345.302 2.885 10 5 EFBERN Nc1cc(NC[C@@H]2CCc3ccccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587980272 479378712 /nfs/dbraw/zinc/37/87/12/479378712.db2.gz DYOAYPZOQNITBA-GFCCVEGCSA-N 0 0 327.384 2.886 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000593532720 479379217 /nfs/dbraw/zinc/37/92/17/479379217.db2.gz YZPRNHXEKJPGDW-BNOWGMLFSA-N 0 0 339.417 2.579 10 5 EFBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Oc1ccccc1F ZINC000587986849 479380084 /nfs/dbraw/zinc/38/00/84/479380084.db2.gz HFZITJCTFPWOQF-SNVBAGLBSA-N 0 0 335.335 2.688 10 5 EFBERN Cc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593536468 479380240 /nfs/dbraw/zinc/38/02/40/479380240.db2.gz QVRWUDCMRMMJHN-UHFFFAOYSA-N 0 0 347.396 2.652 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[C@H]2CCCCO2)n1 ZINC000587996678 479380917 /nfs/dbraw/zinc/38/09/17/479380917.db2.gz BYXUTQNUXRYAPM-CYBMUJFWSA-N 0 0 337.376 2.784 10 5 EFBERN CC(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccnc1 ZINC000587993833 479381305 /nfs/dbraw/zinc/38/13/05/479381305.db2.gz YTWISNMBQLBBGC-OAHLLOKOSA-N 0 0 330.388 2.916 10 5 EFBERN CCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593538071 479381421 /nfs/dbraw/zinc/38/14/21/479381421.db2.gz LMQCYWDKUDCQTA-UHFFFAOYSA-N 0 0 335.385 2.509 10 5 EFBERN CCOc1cccc(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000588003534 479382305 /nfs/dbraw/zinc/38/23/05/479382305.db2.gz WQFVOLDIESGSJX-UHFFFAOYSA-N 0 0 331.372 2.723 10 5 EFBERN COc1ccc(C[C@@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000588008420 479382661 /nfs/dbraw/zinc/38/26/61/479382661.db2.gz VBASDPDFCALKRZ-GFCCVEGCSA-N 0 0 345.399 2.969 10 5 EFBERN O=[N+]([O-])c1sc(N2CCC(F)(F)C2)nc1N1CCC(F)(F)C1 ZINC000611445262 479382814 /nfs/dbraw/zinc/38/28/14/479382814.db2.gz LFCLTKQCKUKWQK-UHFFFAOYSA-N 0 0 340.302 2.742 10 5 EFBERN C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc([S@](C)=O)cc1 ZINC000588006963 479382946 /nfs/dbraw/zinc/38/29/46/479382946.db2.gz PBWZXUMIQSQDIL-JUZXBQNTSA-N 0 0 349.412 2.580 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCC2)nc1 ZINC000593545119 479382967 /nfs/dbraw/zinc/38/29/67/479382967.db2.gz UHOOJWPWGHXAPI-INIZCTEOSA-N 0 0 347.396 2.810 10 5 EFBERN C[C@@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545539 479383094 /nfs/dbraw/zinc/38/30/94/479383094.db2.gz GGXFRVLPGXGLPO-OCCSQVGLSA-N 0 0 347.396 2.557 10 5 EFBERN Nc1cc(NCCOc2ccccc2Cl)cc(CO)c1[N+](=O)[O-] ZINC000588005399 479383346 /nfs/dbraw/zinc/38/33/46/479383346.db2.gz JFZHLSQHTLTINY-UHFFFAOYSA-N 0 0 337.763 2.814 10 5 EFBERN CC1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)Cc2ccccc2C1 ZINC000588011085 479384150 /nfs/dbraw/zinc/38/41/50/479384150.db2.gz SZMZYRVFFRJGHK-UHFFFAOYSA-N 0 0 327.384 2.886 10 5 EFBERN CN(C)c1ncccc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000574985150 479384507 /nfs/dbraw/zinc/38/45/07/479384507.db2.gz MYFLYGHETVMQHH-UHFFFAOYSA-N 0 0 327.388 2.942 10 5 EFBERN Nc1cc(NCCCNc2ccccc2F)cc(CO)c1[N+](=O)[O-] ZINC000588016354 479384950 /nfs/dbraw/zinc/38/49/50/479384950.db2.gz LGTNYQMWOOCJNO-UHFFFAOYSA-N 0 0 334.351 2.723 10 5 EFBERN CCC[C@@]1(C)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593553878 479386074 /nfs/dbraw/zinc/38/60/74/479386074.db2.gz RRSHUSACCKFTAJ-AWEZNQCLSA-N 0 0 327.406 2.581 10 5 EFBERN C[C@]1(c2ccc(F)cc2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588039044 479386277 /nfs/dbraw/zinc/38/62/77/479386277.db2.gz REAQGFHINBQQOE-SFHVURJKSA-N 0 0 345.374 2.976 10 5 EFBERN C[C@@H]1CC2(CCC2)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588033794 479386447 /nfs/dbraw/zinc/38/64/47/479386447.db2.gz CISSOHQTQSRPQT-LLVKDONJSA-N 0 0 330.388 2.554 10 5 EFBERN CN(CCCOCc1ccccc1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588039795 479386837 /nfs/dbraw/zinc/38/68/37/479386837.db2.gz ZWHAOTJORPYNMR-UHFFFAOYSA-N 0 0 345.399 2.712 10 5 EFBERN Nc1cc(NCCc2ccc3[nH]ccc3c2)cc(CO)c1[N+](=O)[O-] ZINC000588041944 479387407 /nfs/dbraw/zinc/38/74/07/479387407.db2.gz CZGGOXLRVTWUQC-UHFFFAOYSA-N 0 0 326.356 2.805 10 5 EFBERN Nc1cc(N2CC[C@](F)(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588043133 479387459 /nfs/dbraw/zinc/38/74/59/479387459.db2.gz KUENWPRHPBKMJG-QGZVFWFLSA-N 0 0 331.347 2.744 10 5 EFBERN Cn1c2cc(NCC(C)(C)C(F)(F)F)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588042997 479387479 /nfs/dbraw/zinc/38/74/79/479387479.db2.gz KJHAJHRQVQXGQM-UHFFFAOYSA-N 0 0 346.309 2.786 10 5 EFBERN CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593564656 479389363 /nfs/dbraw/zinc/38/93/63/479389363.db2.gz YBVDVGXBRSPGGU-LBPRGKRZSA-N 0 0 327.406 2.579 10 5 EFBERN CC(C)CC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593564655 479389499 /nfs/dbraw/zinc/38/94/99/479389499.db2.gz YBVDVGXBRSPGGU-GFCCVEGCSA-N 0 0 327.406 2.579 10 5 EFBERN CCCCOCCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575019450 479390151 /nfs/dbraw/zinc/39/01/51/479390151.db2.gz GUZLJVPWEHFDJR-UHFFFAOYSA-N 0 0 348.403 2.735 10 5 EFBERN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(c2ccc(F)cc2)CC1 ZINC000611484827 479391011 /nfs/dbraw/zinc/39/10/11/479391011.db2.gz RWDJXLPAINUWCU-UHFFFAOYSA-N 0 0 341.342 2.745 10 5 EFBERN Cc1cc(C2(NC(=O)Nc3cccc([N+](=O)[O-])c3)CCOCC2)on1 ZINC000599693776 479394456 /nfs/dbraw/zinc/39/44/56/479394456.db2.gz LXLANPBPYQQARE-UHFFFAOYSA-N 0 0 346.343 2.719 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611496853 479394830 /nfs/dbraw/zinc/39/48/30/479394830.db2.gz AGUHYMVMBWXZTE-SCZZXKLOSA-N 0 0 336.772 2.617 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)c1C ZINC000611496894 479395035 /nfs/dbraw/zinc/39/50/35/479395035.db2.gz CRJDCLZOJRZWNH-NOZJJQNGSA-N 0 0 330.381 2.580 10 5 EFBERN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1F ZINC000611496795 479395549 /nfs/dbraw/zinc/39/55/49/479395549.db2.gz ZETSFWJAANVYAR-KWQFWETISA-N 0 0 336.772 2.617 10 5 EFBERN COC[C@@]1(C)CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000599696803 479395617 /nfs/dbraw/zinc/39/56/17/479395617.db2.gz NVUFHYOMWCCFMG-CQSZACIVSA-N 0 0 348.321 2.851 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000599697123 479395896 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Cc1c(NC(=O)NCC(C)(C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000599702485 479398865 /nfs/dbraw/zinc/39/88/65/479398865.db2.gz QKOVKNUUJCSZFS-UHFFFAOYSA-N 0 0 348.403 2.673 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)nc1 ZINC000593601480 479398898 /nfs/dbraw/zinc/39/88/98/479398898.db2.gz UEWAAXRARQVJJX-AWEZNQCLSA-N 0 0 347.396 2.558 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1F ZINC000611506197 479399584 /nfs/dbraw/zinc/39/95/84/479399584.db2.gz IFSGQGWSPAMGNE-NEPJUHHUSA-N 0 0 332.335 2.601 10 5 EFBERN C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1F ZINC000611506440 479399604 /nfs/dbraw/zinc/39/96/04/479399604.db2.gz MFIOETILOQJDGX-XHDPSFHLSA-N 0 0 332.335 2.601 10 5 EFBERN CC(C)[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC12CCCC2 ZINC000593606269 479400181 /nfs/dbraw/zinc/40/01/81/479400181.db2.gz PATBUQJOXSLOKN-CQSZACIVSA-N 0 0 339.417 2.579 10 5 EFBERN CCOc1cc(C(=O)N[C@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000588180711 479403697 /nfs/dbraw/zinc/40/36/97/479403697.db2.gz REGUPCSIJGCJSR-ZDUSSCGKSA-N 0 0 344.314 2.920 10 5 EFBERN Nc1cc(N2CCC[C@H](Nc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525757 479405751 /nfs/dbraw/zinc/40/57/51/479405751.db2.gz KUTMMSFWNJJVKL-HNNXBMFYSA-N 0 0 342.399 2.750 10 5 EFBERN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](c2ccccc2)O1 ZINC000611525599 479405894 /nfs/dbraw/zinc/40/58/94/479405894.db2.gz NJIARTSBUKEHBK-YVEFUNNKSA-N 0 0 343.383 2.636 10 5 EFBERN CS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000593623480 479406326 /nfs/dbraw/zinc/40/63/26/479406326.db2.gz LBUDOCBDXRLSMA-RKDXNWHRSA-N 0 0 336.460 2.609 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2nccn2c1 ZINC000588249420 479409231 /nfs/dbraw/zinc/40/92/31/479409231.db2.gz ZQYWIIJWBVLCLB-UHFFFAOYSA-N 0 0 339.355 2.949 10 5 EFBERN C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593652003 479413090 /nfs/dbraw/zinc/41/30/90/479413090.db2.gz WEHAWDSQBAFSDR-ZDUSSCGKSA-N 0 0 346.408 2.945 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593651376 479413639 /nfs/dbraw/zinc/41/36/39/479413639.db2.gz POHLOGCVKZXSRX-CYBMUJFWSA-N 0 0 346.408 2.945 10 5 EFBERN CCc1cccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000593655940 479414951 /nfs/dbraw/zinc/41/49/51/479414951.db2.gz GOSBIZZXMJZWCH-UHFFFAOYSA-N 0 0 334.397 2.777 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@H](CCF)C1 ZINC000599752435 479414862 /nfs/dbraw/zinc/41/48/62/479414862.db2.gz IVWHETMBCDIQPK-GFCCVEGCSA-N 0 0 325.340 2.804 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000593662901 479415651 /nfs/dbraw/zinc/41/56/51/479415651.db2.gz NDISLVAHCGTTSY-QLPKVWCKSA-N 0 0 340.383 2.676 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593665579 479416991 /nfs/dbraw/zinc/41/69/91/479416991.db2.gz IZRWQVXVMFZNHH-ZDUSSCGKSA-N 0 0 346.355 2.577 10 5 EFBERN Cc1cc(NC(=O)NCC(C)(C)C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000599768237 479419389 /nfs/dbraw/zinc/41/93/89/479419389.db2.gz JXXNHXCTFIVKPA-UHFFFAOYSA-N 0 0 348.403 2.673 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611573498 479420301 /nfs/dbraw/zinc/42/03/01/479420301.db2.gz OCUAXCLSTMYCOZ-NSHDSACASA-N 0 0 344.314 2.837 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](OC(F)F)C1 ZINC000611573366 479420639 /nfs/dbraw/zinc/42/06/39/479420639.db2.gz LZCQJEMZNFAQEY-ZDUSSCGKSA-N 0 0 328.315 2.758 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](OC(F)F)C1 ZINC000611572780 479421043 /nfs/dbraw/zinc/42/10/43/479421043.db2.gz BYJFPYWLYFDGAH-JTQLQIEISA-N 0 0 339.298 2.920 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611577315 479422405 /nfs/dbraw/zinc/42/24/05/479422405.db2.gz HTSNIOITUZBWQQ-QWRGUYRKSA-N 0 0 343.330 2.625 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000593689879 479423884 /nfs/dbraw/zinc/42/38/84/479423884.db2.gz YHTXCWYVTSVAFW-RBPJZEGCSA-N 0 0 332.381 2.560 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OC(F)F)C1 ZINC000611581721 479424262 /nfs/dbraw/zinc/42/42/62/479424262.db2.gz XDFHOVGCHHAXNL-GFCCVEGCSA-N 0 0 329.303 2.508 10 5 EFBERN COC(=O)[C@H]1CCCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000611580364 479424700 /nfs/dbraw/zinc/42/47/00/479424700.db2.gz JZLAHRUIJOGYHX-OAHLLOKOSA-N 0 0 345.355 2.634 10 5 EFBERN CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599786133 479424766 /nfs/dbraw/zinc/42/47/66/479424766.db2.gz GNKSLNIHYBLGMM-KLPPZKSPSA-N 0 0 348.403 2.620 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](OC(F)F)C1 ZINC000611585572 479425163 /nfs/dbraw/zinc/42/51/63/479425163.db2.gz ICIYRHBODSLZPE-SNVBAGLBSA-N 0 0 339.298 2.920 10 5 EFBERN COc1cc(CN2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000593695547 479426420 /nfs/dbraw/zinc/42/64/20/479426420.db2.gz QOTICLFVINQBBG-AWEZNQCLSA-N 0 0 328.315 2.843 10 5 EFBERN CCN(C[C@H]1CCOC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611614687 479429238 /nfs/dbraw/zinc/42/92/38/479429238.db2.gz SDGHLVSZVGQNCD-SNVBAGLBSA-N 0 0 344.314 2.695 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599801826 479429517 /nfs/dbraw/zinc/42/95/17/479429517.db2.gz XLAKGESBOGJTJG-UGNBQVLZSA-N 0 0 342.783 2.764 10 5 EFBERN CCn1cnnc1[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611615851 479429946 /nfs/dbraw/zinc/42/99/46/479429946.db2.gz DCRFVPQROSFHOC-CYBMUJFWSA-N 0 0 330.392 2.602 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611617644 479430863 /nfs/dbraw/zinc/43/08/63/479430863.db2.gz PWHOFJZYYPHEDU-CQSZACIVSA-N 0 0 345.403 2.535 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(C3CCCCC3)C2=O)n1 ZINC000611617308 479430870 /nfs/dbraw/zinc/43/08/70/479430870.db2.gz WGFZHJBFTCRLHT-AWEZNQCLSA-N 0 0 332.404 2.952 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(c3nccs3)CC2)n1 ZINC000611616611 479430950 /nfs/dbraw/zinc/43/09/50/479430950.db2.gz HEFJQKWGTZFMGJ-UHFFFAOYSA-N 0 0 333.417 2.780 10 5 EFBERN CO[C@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000596802284 479432853 /nfs/dbraw/zinc/43/28/53/479432853.db2.gz XHJXRXWXNNCLLP-SCZZXKLOSA-N 0 0 330.287 2.950 10 5 EFBERN C[C@@H](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000599810155 479433152 /nfs/dbraw/zinc/43/31/52/479433152.db2.gz ZNNHETDDWZAZRD-VIFPVBQESA-N 0 0 332.278 2.773 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CNc2ccccc2C1 ZINC000593718373 479433150 /nfs/dbraw/zinc/43/31/50/479433150.db2.gz HQBPOSMINOSPOI-OAHLLOKOSA-N 0 0 340.383 2.773 10 5 EFBERN CO[C@@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000596802283 479433251 /nfs/dbraw/zinc/43/32/51/479433251.db2.gz XHJXRXWXNNCLLP-PSASIEDQSA-N 0 0 330.287 2.950 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@H]2C2CC2)c1 ZINC000593734917 479439733 /nfs/dbraw/zinc/43/97/33/479439733.db2.gz OKYSGGSCGAUSHA-INIZCTEOSA-N 0 0 340.383 2.773 10 5 EFBERN O=C(N[C@H]1CC12CCCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599824057 479440084 /nfs/dbraw/zinc/44/00/84/479440084.db2.gz KLFQNOZYDIQLTQ-HNNXBMFYSA-N 0 0 344.346 2.982 10 5 EFBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000593737873 479440993 /nfs/dbraw/zinc/44/09/93/479440993.db2.gz XVKRTLQTGJSHHM-INIZCTEOSA-N 0 0 334.372 2.684 10 5 EFBERN CC(C)OC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830118 479442143 /nfs/dbraw/zinc/44/21/43/479442143.db2.gz DWWSNUNLMRJCBU-UHFFFAOYSA-N 0 0 346.343 2.606 10 5 EFBERN CC(C)COC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593740129 479442142 /nfs/dbraw/zinc/44/21/42/479442142.db2.gz HOFBBROMSDAOCZ-UHFFFAOYSA-N 0 0 336.388 2.930 10 5 EFBERN CC[C@@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829297 479442179 /nfs/dbraw/zinc/44/21/79/479442179.db2.gz BQZAGSLEUMCSAA-LLVKDONJSA-N 0 0 330.344 2.786 10 5 EFBERN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599830240 479442672 /nfs/dbraw/zinc/44/26/72/479442672.db2.gz GSKPIMABDPFNKN-LLVKDONJSA-N 0 0 330.344 2.786 10 5 EFBERN O=C(NC[C@H]1CCC[C@H](O)C1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830011 479442685 /nfs/dbraw/zinc/44/26/85/479442685.db2.gz OZIIGMSPNVWNRR-RYUDHWBXSA-N 0 0 344.371 2.816 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC[C@H](CO)CC1 ZINC000599831496 479443097 /nfs/dbraw/zinc/44/30/97/479443097.db2.gz NFBOTSGCUFYIHT-HAQNSBGRSA-N 0 0 344.371 2.816 10 5 EFBERN CC[C@H](CCO)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830956 479443548 /nfs/dbraw/zinc/44/35/48/479443548.db2.gz GWLFHDXRYWMXIZ-LLVKDONJSA-N 0 0 332.360 2.673 10 5 EFBERN O=C(NCC1(O)CCCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830579 479443647 /nfs/dbraw/zinc/44/36/47/479443647.db2.gz UPSVONOSZXSZFV-UHFFFAOYSA-N 0 0 344.371 2.960 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@]2(CCOC2)C1 ZINC000599832249 479443813 /nfs/dbraw/zinc/44/38/13/479443813.db2.gz TZFJUQGFKZNZOJ-QGZVFWFLSA-N 0 0 342.355 2.787 10 5 EFBERN CC[C@@](C)(CCO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832325 479443924 /nfs/dbraw/zinc/44/39/24/479443924.db2.gz WLXPLOLTJRFPKW-INIZCTEOSA-N 0 0 332.360 2.816 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCC[C@@H]1CCO ZINC000599832501 479444212 /nfs/dbraw/zinc/44/42/12/479444212.db2.gz DSJGEAGSDNDNBA-BXUZGUMPSA-N 0 0 344.371 2.816 10 5 EFBERN C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCCOC1 ZINC000599833658 479444234 /nfs/dbraw/zinc/44/42/34/479444234.db2.gz WLUVCDSQSLTFAZ-INIZCTEOSA-N 0 0 330.344 2.834 10 5 EFBERN CC[C@@]1(O)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832932 479444247 /nfs/dbraw/zinc/44/42/47/479444247.db2.gz NQTZZQBXTDNDPL-MRXNPFEDSA-N 0 0 330.344 2.522 10 5 EFBERN CC[C@]1(CO)CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832832 479444293 /nfs/dbraw/zinc/44/42/93/479444293.db2.gz KVJOKCIABJNIRE-QGZVFWFLSA-N 0 0 344.371 2.912 10 5 EFBERN CC(C)(O)CN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599832617 479444703 /nfs/dbraw/zinc/44/47/03/479444703.db2.gz GLJUURVQPZXYPF-UHFFFAOYSA-N 0 0 344.371 2.910 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCC1=O ZINC000599833948 479445468 /nfs/dbraw/zinc/44/54/68/479445468.db2.gz BECXQEBZZNVTPK-SNVBAGLBSA-N 0 0 328.328 2.586 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1C[C@H](O)C12CCC2 ZINC000599834106 479445494 /nfs/dbraw/zinc/44/54/94/479445494.db2.gz FZZJMJJLMRJNEP-GJZGRUSLSA-N 0 0 342.355 2.568 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCO[C@@H](CCF)C1 ZINC000599834875 479445636 /nfs/dbraw/zinc/44/56/36/479445636.db2.gz NJOZFNKRSKPNSU-NSHDSACASA-N 0 0 348.334 2.735 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599834122 479445877 /nfs/dbraw/zinc/44/58/77/479445877.db2.gz GMXBVVNZDXZHMB-MEDUHNTESA-N 0 0 342.355 2.832 10 5 EFBERN C[C@@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599836812 479446283 /nfs/dbraw/zinc/44/62/83/479446283.db2.gz ZKAZYDGRPDMCKK-QGZVFWFLSA-N 0 0 344.371 2.912 10 5 EFBERN CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835628 479446429 /nfs/dbraw/zinc/44/64/29/479446429.db2.gz XIIAZOXBKKLLAY-DYZYQPBXSA-N 0 0 342.355 2.832 10 5 EFBERN CC(C)[C@](C)(CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836631 479446816 /nfs/dbraw/zinc/44/68/16/479446816.db2.gz VLRDFPPFJXLFKX-INIZCTEOSA-N 0 0 332.360 2.672 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC2(C1)CCOCC2 ZINC000599836565 479447045 /nfs/dbraw/zinc/44/70/45/479447045.db2.gz UPODDPYNBMVCDI-UHFFFAOYSA-N 0 0 342.355 2.787 10 5 EFBERN CC[C@@H]1OCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836968 479447073 /nfs/dbraw/zinc/44/70/73/479447073.db2.gz AXGNZTIBPRZONE-HIFRSBDPSA-N 0 0 330.344 2.832 10 5 EFBERN O=[N+]([O-])c1cnccc1Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000588836706 479447063 /nfs/dbraw/zinc/44/70/63/479447063.db2.gz HCSUDKYKMJJPSH-IAGOWNOFSA-N 0 0 329.356 2.838 10 5 EFBERN C[C@@H]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)O1 ZINC000599838592 479447602 /nfs/dbraw/zinc/44/76/02/479447602.db2.gz LBHUGEXDKPIUBF-MNOVXSKESA-N 0 0 330.344 2.832 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000596837390 479448156 /nfs/dbraw/zinc/44/81/56/479448156.db2.gz UEFVDMZSKGIVFI-ZDUSSCGKSA-N 0 0 349.387 2.922 10 5 EFBERN C[C@H](NC(=O)c1c(C(F)(F)F)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000596840396 479449607 /nfs/dbraw/zinc/44/96/07/479449607.db2.gz BZNLQRANKVRCSP-QMMMGPOBSA-N 0 0 342.277 2.838 10 5 EFBERN Cc1nc(C)c(C)c(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000588864563 479450356 /nfs/dbraw/zinc/45/03/56/479450356.db2.gz SSZNGSNZWYMWIL-UHFFFAOYSA-N 0 0 325.372 2.868 10 5 EFBERN C[C@@H](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599840886 479450553 /nfs/dbraw/zinc/45/05/53/479450553.db2.gz VAGYNQVJSJSXHV-LLVKDONJSA-N 0 0 332.360 2.673 10 5 EFBERN C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000611706774 479450900 /nfs/dbraw/zinc/45/09/00/479450900.db2.gz HDEDLRPDMPQLII-LRDDRELGSA-N 0 0 338.371 2.822 10 5 EFBERN Cc1n[nH]c(C(=O)N2CC[C@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000593760448 479450978 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EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000612540321 479688702 /nfs/dbraw/zinc/68/87/02/479688702.db2.gz VMBRQGRMTLGISZ-CQSZACIVSA-N 0 0 347.415 2.733 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000612540320 479688783 /nfs/dbraw/zinc/68/87/83/479688783.db2.gz VMBRQGRMTLGISZ-AWEZNQCLSA-N 0 0 347.415 2.733 10 5 EFBERN COC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000612566627 479695380 /nfs/dbraw/zinc/69/53/80/479695380.db2.gz PMZDIXHCKWJJBK-VIFPVBQESA-N 0 0 347.302 2.658 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000619252182 479732693 /nfs/dbraw/zinc/73/26/93/479732693.db2.gz GHYRHDULMLOERU-UONOGXRCSA-N 0 0 341.770 2.507 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000619253403 479733137 /nfs/dbraw/zinc/73/31/37/479733137.db2.gz WWLWWLZMQOYBAD-QWHCGFSZSA-N 0 0 341.770 2.507 10 5 EFBERN CC(C)(C)Oc1cc(NCCC2CS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000615717959 479743776 /nfs/dbraw/zinc/74/37/76/479743776.db2.gz HSCWYJADWWVFNC-UHFFFAOYSA-N 0 0 342.417 2.619 10 5 EFBERN CSc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000612735317 479746327 /nfs/dbraw/zinc/74/63/27/479746327.db2.gz FNWIZHNKLSHQEJ-UHFFFAOYSA-N 0 0 339.398 2.654 10 5 EFBERN CC(C)c1ccc(C(=O)N2C[C@H](O)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000615890052 479778696 /nfs/dbraw/zinc/77/86/96/479778696.db2.gz LVBKDQKHLDJJQA-LLVKDONJSA-N 0 0 328.315 2.560 10 5 EFBERN COc1c(C(=O)NCC(C)(C)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000619439548 479791032 /nfs/dbraw/zinc/79/10/32/479791032.db2.gz CHGWXTGAZIPUED-CQSZACIVSA-N 0 0 336.388 2.929 10 5 EFBERN COc1c(C(=O)Nc2cnn(C)c2C(F)F)cccc1[N+](=O)[O-] ZINC000619441269 479791300 /nfs/dbraw/zinc/79/13/00/479791300.db2.gz JZYBXEIYLLDYIL-UHFFFAOYSA-N 0 0 326.259 2.527 10 5 EFBERN COc1c(C(=O)N2CCC3(CCOCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000619442937 479792228 /nfs/dbraw/zinc/79/22/28/479792228.db2.gz ZQLAFQNEHUUQOC-LBPRGKRZSA-N 0 0 334.372 2.635 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(Cc2cnn(C)c2)no1 ZINC000612911946 479797644 /nfs/dbraw/zinc/79/76/44/479797644.db2.gz AKRPCRYXOWYPLE-XFFZJAGNSA-N 0 0 325.328 2.863 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C12CCCC2 ZINC000615994478 479803309 /nfs/dbraw/zinc/80/33/09/479803309.db2.gz HWLOJVUUKVCOFM-HUUCEWRRSA-N 0 0 335.404 2.819 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2(CCC2)C[C@H]1C ZINC000619499833 479812490 /nfs/dbraw/zinc/81/24/90/479812490.db2.gz YKHNPKBYRHCYCW-LLVKDONJSA-N 0 0 340.401 2.557 10 5 EFBERN Cc1cc(OCC(=O)Nc2ccc3nccn3c2)ccc1[N+](=O)[O-] ZINC000619528734 479819674 /nfs/dbraw/zinc/81/96/74/479819674.db2.gz WCBZOSMKJDUIKO-UHFFFAOYSA-N 0 0 326.312 2.568 10 5 EFBERN Cc1ncc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000619627201 479845014 /nfs/dbraw/zinc/84/50/14/479845014.db2.gz QMBLHUINKXCIQD-UHFFFAOYSA-N 0 0 327.344 2.892 10 5 EFBERN O=C(N[C@H](CO)C1CCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000617311972 480161419 /nfs/dbraw/zinc/16/14/19/480161419.db2.gz OQCZOBQSPDTCNE-GOSISDBHSA-N 0 0 336.391 2.572 10 5 EFBERN O=C(N[C@H](CO)C1CCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000617311508 480161559 /nfs/dbraw/zinc/16/15/59/480161559.db2.gz FKRNQVZYJANBAK-QGZVFWFLSA-N 0 0 336.391 2.572 10 5 EFBERN Cc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC000609453373 480162831 /nfs/dbraw/zinc/16/28/31/480162831.db2.gz BLJAMFACSUIQIW-UHFFFAOYSA-N 0 0 325.328 2.978 10 5 EFBERN Cc1c(NC(=O)N2CCC[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000609552217 480173796 /nfs/dbraw/zinc/17/37/96/480173796.db2.gz DPUUNCBKEUKFIJ-CYBMUJFWSA-N 0 0 329.360 2.969 10 5 EFBERN CCOc1ccc(C(=O)Nc2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000609618992 480188047 /nfs/dbraw/zinc/18/80/47/480188047.db2.gz XAQYGPZKMDGUHZ-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2nccn2c1 ZINC000609618998 480188260 /nfs/dbraw/zinc/18/82/60/480188260.db2.gz XSTDMPFSTPJCAP-UHFFFAOYSA-N 0 0 328.353 2.973 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(C(=O)OC(C)(C)C)CCCC1 ZINC000609791836 480205874 /nfs/dbraw/zinc/20/58/74/480205874.db2.gz PDWIEFMIVJKMSV-UHFFFAOYSA-N 0 0 349.387 2.683 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(C)c1C(F)F ZINC000617409332 480206519 /nfs/dbraw/zinc/20/65/19/480206519.db2.gz YAWNBYRKWYLPJT-UHFFFAOYSA-N 0 0 326.259 2.527 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OC1CCC1 ZINC000609818679 480208557 /nfs/dbraw/zinc/20/85/57/480208557.db2.gz AHHRPGPXCRVCMI-UHFFFAOYSA-N 0 0 329.356 2.795 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOC[C@@H]1C(F)(F)F ZINC000610048322 480231481 /nfs/dbraw/zinc/23/14/81/480231481.db2.gz YTIUNHXUWQXOPG-GFCCVEGCSA-N 0 0 344.245 2.744 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000610160282 480245286 /nfs/dbraw/zinc/24/52/86/480245286.db2.gz IYDHTHJUBXSMQV-WMLDXEAASA-N 0 0 342.399 2.691 10 5 EFBERN Cc1sc(C(=O)N(Cc2ccccc2)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000610164011 480246608 /nfs/dbraw/zinc/24/66/08/480246608.db2.gz WMFAVBSLYLONAJ-LLVKDONJSA-N 0 0 334.397 2.988 10 5 EFBERN COC(=O)c1ccc(OC)cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000610228085 480254041 /nfs/dbraw/zinc/25/40/41/480254041.db2.gz GFQLYJQXOBQNFA-UHFFFAOYSA-N 0 0 344.323 2.951 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000610275218 480268560 /nfs/dbraw/zinc/26/85/60/480268560.db2.gz YVHHXMPETQYYHY-ZDUSSCGKSA-N 0 0 349.431 2.981 10 5 EFBERN CCc1cc(=NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH][nH]1 ZINC000610337817 480282942 /nfs/dbraw/zinc/28/29/42/480282942.db2.gz FXCIBQNBKGMARJ-UHFFFAOYSA-N 0 0 328.250 2.573 10 5 EFBERN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)O ZINC000610430079 480303459 /nfs/dbraw/zinc/30/34/59/480303459.db2.gz BWVPMMSPKZQMFZ-SECBINFHSA-N 0 0 335.385 2.608 10 5 EFBERN C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000610430295 480303877 /nfs/dbraw/zinc/30/38/77/480303877.db2.gz MBILONUSDNJPBC-CHWSQXEVSA-N 0 0 349.431 2.720 10 5 EFBERN CSc1cccc(C(=O)N2CCOc3ncccc3C2)c1[N+](=O)[O-] ZINC000614459857 480313412 /nfs/dbraw/zinc/31/34/12/480313412.db2.gz IAFITISOHNKXFD-UHFFFAOYSA-N 0 0 345.380 2.747 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(Cl)o2)c1C ZINC000610504735 480324534 /nfs/dbraw/zinc/32/45/34/480324534.db2.gz HTQVDTAWEKJMIV-UHFFFAOYSA-N 0 0 344.776 2.937 10 5 EFBERN COC(=O)Cc1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000614511735 480328748 /nfs/dbraw/zinc/32/87/48/480328748.db2.gz PRKFQWICYPXRGS-LBPRGKRZSA-N 0 0 342.351 2.801 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000614517862 480329832 /nfs/dbraw/zinc/32/98/32/480329832.db2.gz CZNSKXNLKCPOLN-HRCADAONSA-N 0 0 348.447 2.685 10 5 EFBERN C[C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000617703002 480330890 /nfs/dbraw/zinc/33/08/90/480330890.db2.gz VDWXXDWTKRSDIV-JTQLQIEISA-N 0 0 341.323 2.668 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610526888 480330951 /nfs/dbraw/zinc/33/09/51/480330951.db2.gz KDCQUBLMYHSQKA-GDBMZVCRSA-N 0 0 347.415 2.667 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@@H](CCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000610530940 480331866 /nfs/dbraw/zinc/33/18/66/480331866.db2.gz ZXADAVHDKMYTAX-XJKSGUPXSA-N 0 0 335.404 2.850 10 5 EFBERN CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](CC)CN1C(C)=O ZINC000610588264 480345215 /nfs/dbraw/zinc/34/52/15/480345215.db2.gz SAIPOHUBNRYENF-VXGBXAGGSA-N 0 0 340.811 2.869 10 5 EFBERN COC[C@](C)(NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000617739559 480346100 /nfs/dbraw/zinc/34/61/00/480346100.db2.gz INKQVOCUCAACBI-RNCFNFMXSA-N 0 0 334.294 2.782 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2COCC[C@H]21 ZINC000610689521 480365641 /nfs/dbraw/zinc/36/56/41/480365641.db2.gz WSVAAVHDZQAJGU-WMLDXEAASA-N 0 0 347.415 2.814 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000610689407 480365675 /nfs/dbraw/zinc/36/56/75/480365675.db2.gz PWNAGKPLGBLJKV-CJNGLKHVSA-N 0 0 345.399 2.810 10 5 EFBERN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H](CC(F)(F)F)C1 ZINC000617980819 480460144 /nfs/dbraw/zinc/46/01/44/480460144.db2.gz KUPBHSPANVNFNH-QMMMGPOBSA-N 0 0 346.261 2.738 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1C ZINC000618079325 480510141 /nfs/dbraw/zinc/51/01/41/480510141.db2.gz MUVPYKSCFKXGBP-UHFFFAOYSA-N 0 0 344.323 2.951 10 5 EFBERN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@@H](C)C1=O ZINC000618098460 480519959 /nfs/dbraw/zinc/51/99/59/480519959.db2.gz KDUUUGQLTPYJTR-CHWSQXEVSA-N 0 0 348.402 2.978 10 5 EFBERN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2ccccc2)=N1 ZINC000135356660 500679922 /nfs/dbraw/zinc/67/99/22/500679922.db2.gz IGEVTOUHQJIAMC-UHFFFAOYSA-N 0 0 343.314 2.749 10 5 EFBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000159850669 533754114 /nfs/dbraw/zinc/75/41/14/533754114.db2.gz CGRMOGCMBIHEDZ-JTQLQIEISA-N 0 0 346.314 2.996 10 5 EFBERN Cc1cc(C[C@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n[nH]1 ZINC000133502584 533763045 /nfs/dbraw/zinc/76/30/45/533763045.db2.gz PUZWHEUICPJWTI-VIFPVBQESA-N 0 0 329.360 2.554 10 5 EFBERN COc1cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184238009 533823916 /nfs/dbraw/zinc/82/39/16/533823916.db2.gz NPLJFSLJKTUJJO-CXAGYDPISA-N 0 0 338.379 2.870 10 5 EFBERN C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000183663259 533956362 /nfs/dbraw/zinc/95/63/62/533956362.db2.gz HTXSJBWYHQPLJS-LBPRGKRZSA-N 0 0 326.418 2.635 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCc2nnc(C3CCC3)n2C)c1 ZINC000132847827 533995181 /nfs/dbraw/zinc/99/51/81/533995181.db2.gz CKFHLIQNRMMEQX-UHFFFAOYSA-N 0 0 335.339 2.751 10 5 EFBERN C[C@@H](CO)[C@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000131726767 534145177 /nfs/dbraw/zinc/14/51/77/534145177.db2.gz YCDDZAMBXKEPAL-RDBSUJKOSA-N 0 0 349.431 2.578 10 5 EFBERN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCCO1 ZINC000133242281 534209229 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Cc1c(Br)c(NCC2(CCO)CC2)ncc1[N+](=O)[O-] ZINC000157236563 525524732 /nfs/dbraw/zinc/52/47/32/525524732.db2.gz KPZFKFAKNLDMBC-UHFFFAOYSA-N 0 0 330.182 2.635 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000118235810 525564181 /nfs/dbraw/zinc/56/41/81/525564181.db2.gz FKBVYEMDHTXCBE-UHFFFAOYSA-N 0 0 328.250 2.914 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067877249 525573331 /nfs/dbraw/zinc/57/33/31/525573331.db2.gz PNZAZAAFZYYHLX-LSDHHAIUSA-N 0 0 332.381 2.738 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(Br)c2)c1=O ZINC000155794210 525574547 /nfs/dbraw/zinc/57/45/47/525574547.db2.gz QPWGVXPHSNOCJV-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000184767808 525580820 /nfs/dbraw/zinc/58/08/20/525580820.db2.gz LBEMUAOLASEDKN-LLVKDONJSA-N 0 0 329.278 2.722 10 5 EFBERN Cc1c(C(=O)NCCOc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000106655993 525615350 /nfs/dbraw/zinc/61/53/50/525615350.db2.gz BDWXZVJUGBXIDY-UHFFFAOYSA-N 0 0 336.294 2.990 10 5 EFBERN Cc1c(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cnn1C ZINC000089421484 525698589 /nfs/dbraw/zinc/69/85/89/525698589.db2.gz TWDIDDIGRMHHNB-NSHDSACASA-N 0 0 328.372 2.547 10 5 EFBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000117626906 525722435 /nfs/dbraw/zinc/72/24/35/525722435.db2.gz JNIRJVUJCZNATC-PXAZEXFGSA-N 0 0 326.352 2.818 10 5 EFBERN Cc1c(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000116578179 525825862 /nfs/dbraw/zinc/82/58/62/525825862.db2.gz PSIXPQUDZGMXQH-AWEZNQCLSA-N 0 0 343.339 2.798 10 5 EFBERN Cc1c(NC(=O)C(=O)N[C@H](C)c2cccs2)cccc1[N+](=O)[O-] ZINC000048880363 525828976 /nfs/dbraw/zinc/82/89/76/525828976.db2.gz ONCPRQPQYSLZPS-SNVBAGLBSA-N 0 0 333.369 2.781 10 5 EFBERN Cc1c(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000067885704 525830423 /nfs/dbraw/zinc/83/04/23/525830423.db2.gz PXDYSZRWAMYXST-UKRRQHHQSA-N 0 0 339.351 2.514 10 5 EFBERN Cc1c(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000136924599 525844813 /nfs/dbraw/zinc/84/48/13/525844813.db2.gz COQIQXIWDIEFDS-CQSZACIVSA-N 0 0 342.355 2.983 10 5 EFBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151656191 526023173 /nfs/dbraw/zinc/02/31/73/526023173.db2.gz YAZGSTZBIQMKDX-ACJLOTCBSA-N 0 0 340.379 2.988 10 5 EFBERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000119251547 526023429 /nfs/dbraw/zinc/02/34/29/526023429.db2.gz MGPAQDYLMWLASR-BZNIZROVSA-N 0 0 341.367 2.641 10 5 EFBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000119251755 526031011 /nfs/dbraw/zinc/03/10/11/526031011.db2.gz MGPAQDYLMWLASR-BDJLRTHQSA-N 0 0 341.367 2.641 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000187008734 526076479 /nfs/dbraw/zinc/07/64/79/526076479.db2.gz KSNMNGZSDXHDLU-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067877543 526088465 /nfs/dbraw/zinc/08/84/65/526088465.db2.gz BABPEGDQOSBWBT-LSDHHAIUSA-N 0 0 332.381 2.738 10 5 EFBERN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000133266893 526094765 /nfs/dbraw/zinc/09/47/65/526094765.db2.gz ZIFONIIKFKQFFC-CYBMUJFWSA-N 0 0 343.387 2.576 10 5 EFBERN COc1cccc(F)c1[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000174492458 526124771 /nfs/dbraw/zinc/12/47/71/526124771.db2.gz FSMHGQMUIVTCOK-NSHDSACASA-N 0 0 348.330 2.999 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCc2c(N)cccc21 ZINC000261880723 526167028 /nfs/dbraw/zinc/16/70/28/526167028.db2.gz QVJDKEWHLOUSFB-GFCCVEGCSA-N 0 0 340.383 2.957 10 5 EFBERN Cc1ccc2c(c1)[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)CCC2 ZINC000179237533 526211888 /nfs/dbraw/zinc/21/18/88/526211888.db2.gz WJUFKABUDHJJLN-OAHLLOKOSA-N 0 0 326.356 2.887 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000180471377 526223737 /nfs/dbraw/zinc/22/37/37/526223737.db2.gz HWKGTCZVJAEGOY-UHFFFAOYSA-N 0 0 335.266 2.616 10 5 EFBERN Cc1cc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cc([N+](=O)[O-])c1 ZINC000089466826 526257712 /nfs/dbraw/zinc/25/77/12/526257712.db2.gz NTLOAXNIDWSPHX-OAHLLOKOSA-N 0 0 339.351 2.523 10 5 EFBERN O=C(NCCCc1cccc(F)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068498156 526275218 /nfs/dbraw/zinc/27/52/18/526275218.db2.gz CRRNPJYFLXLJAQ-UHFFFAOYSA-N 0 0 342.330 2.973 10 5 EFBERN O=C(CC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000192994937 526365734 /nfs/dbraw/zinc/36/57/34/526365734.db2.gz DTTTYEYYEGYKFE-UHFFFAOYSA-N 0 0 349.406 2.958 10 5 EFBERN CN(C[C@@H]1CCOC1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348966071 536436492 /nfs/dbraw/zinc/43/64/92/536436492.db2.gz NTMZNTPDXKEULS-VIFPVBQESA-N 0 0 332.278 2.722 10 5 EFBERN COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000193904028 536440694 /nfs/dbraw/zinc/44/06/94/536440694.db2.gz LLKZGFYDJMQPHF-UHFFFAOYSA-N 0 0 340.763 2.854 10 5 EFBERN Cc1nnc([C@@H]2CN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)[nH]1 ZINC000180112240 526534755 /nfs/dbraw/zinc/53/47/55/526534755.db2.gz RFLPSDAUFVUDSI-INIZCTEOSA-N 0 0 345.403 2.718 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135753056 526602518 /nfs/dbraw/zinc/60/25/18/526602518.db2.gz ZQQXOMFKUHCGKL-KRWDZBQOSA-N 0 0 341.367 2.602 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccncc2)[nH]n1 ZINC000088348435 526604669 /nfs/dbraw/zinc/60/46/69/526604669.db2.gz JTFWQSYEFPTOOP-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181379451 526606891 /nfs/dbraw/zinc/60/68/91/526606891.db2.gz WIJGSNIQMWTDDY-GFCCVEGCSA-N 0 0 335.751 2.734 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC=C(c2ccccc2F)CC1 ZINC000119098594 526629733 /nfs/dbraw/zinc/62/97/33/526629733.db2.gz NSFYJCSRVRWUSO-UHFFFAOYSA-N 0 0 343.314 2.764 10 5 EFBERN Cc1noc([C@H]2COCCN2Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000160856594 526673111 /nfs/dbraw/zinc/67/31/11/526673111.db2.gz MWYRZSVSEJJECE-CYBMUJFWSA-N 0 0 338.751 2.513 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cccnc2)C1 ZINC000135801076 526680706 /nfs/dbraw/zinc/68/07/06/526680706.db2.gz OSAYTZFNCMMXRO-CYBMUJFWSA-N 0 0 347.758 2.937 10 5 EFBERN O=C(c1ccc(NCCC2=CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000157436566 526700691 /nfs/dbraw/zinc/70/06/91/526700691.db2.gz BEVKCESCJOTKNA-UHFFFAOYSA-N 0 0 345.399 2.980 10 5 EFBERN O=C(NCc1ccn2ccnc2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000178064324 526787957 /nfs/dbraw/zinc/78/79/57/526787957.db2.gz HBBXXSHPBRLKBG-UHFFFAOYSA-N 0 0 335.323 2.654 10 5 EFBERN CN1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1=O ZINC000425271719 536477502 /nfs/dbraw/zinc/47/75/02/536477502.db2.gz YMYZDWQZALLTIB-VIFPVBQESA-N 0 0 331.294 2.894 10 5 EFBERN O=C(NCc1cscn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000050407939 526815728 /nfs/dbraw/zinc/81/57/28/526815728.db2.gz XZOBWOBTAQNQCC-UHFFFAOYSA-N 0 0 332.385 2.582 10 5 EFBERN Cc1nc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)no1 ZINC000183334934 526836354 /nfs/dbraw/zinc/83/63/54/526836354.db2.gz HQVMIFRDOYERSU-UHFFFAOYSA-N 0 0 344.249 2.577 10 5 EFBERN Cc1sc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000195048181 526874000 /nfs/dbraw/zinc/87/40/00/526874000.db2.gz XSJDKMALRHHTCK-NSHDSACASA-N 0 0 345.380 2.500 10 5 EFBERN Cc1sc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1[N+](=O)[O-] ZINC000066797705 526875175 /nfs/dbraw/zinc/87/51/75/526875175.db2.gz JAZNGFLZBLQQEX-UHFFFAOYSA-N 0 0 346.368 2.961 10 5 EFBERN O=C(N[C@H](CO)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182584816 526999756 /nfs/dbraw/zinc/99/97/56/526999756.db2.gz XWYAGGHPMKKZPB-MRXNPFEDSA-N 0 0 325.324 2.540 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000178720203 527084872 /nfs/dbraw/zinc/08/48/72/527084872.db2.gz NJXKLJQCHVKPMN-GJZGRUSLSA-N 0 0 332.743 2.636 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(=O)Nc2ccccc21 ZINC000118656127 527244330 /nfs/dbraw/zinc/24/43/30/527244330.db2.gz AZPQOBLBVDONMB-UHFFFAOYSA-N 0 0 325.324 2.513 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000194253705 527312090 /nfs/dbraw/zinc/31/20/90/527312090.db2.gz CYINYYTZLWDUBO-OAHLLOKOSA-N 0 0 345.355 2.713 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000174380230 527313225 /nfs/dbraw/zinc/31/32/25/527313225.db2.gz QEZLHPSGELGNMN-SNVBAGLBSA-N 0 0 333.319 2.635 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSc3ccccc32)s1 ZINC000088534889 527375555 /nfs/dbraw/zinc/37/55/55/527375555.db2.gz NHMILZLZZDCSBL-UHFFFAOYSA-N 0 0 342.423 2.957 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCc3occc32)s1 ZINC000066327604 527376903 /nfs/dbraw/zinc/37/69/03/527376903.db2.gz BADDLUAMMMBVPV-VIFPVBQESA-N 0 0 328.371 2.605 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)s1 ZINC000194408357 527377744 /nfs/dbraw/zinc/37/77/44/527377744.db2.gz UVNLPTOEWYVQFO-LLVKDONJSA-N 0 0 342.373 2.761 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1CN1CCC(Nc2cccnn2)CC1 ZINC000105806025 527388918 /nfs/dbraw/zinc/38/89/18/527388918.db2.gz CCIZTQRKUOFANH-UHFFFAOYSA-N 0 0 331.351 2.600 10 5 EFBERN O=[N+]([O-])c1cccc(OCCSc2nnnn2-c2ccccc2)c1 ZINC000071917871 527390795 /nfs/dbraw/zinc/39/07/95/527390795.db2.gz IUMWYUBUJXHMJY-UHFFFAOYSA-N 0 0 343.368 2.742 10 5 EFBERN O=[N+]([O-])c1cccc(OCCN2CCO[C@@H](c3nccs3)C2)c1 ZINC000195521778 527391617 /nfs/dbraw/zinc/39/16/17/527391617.db2.gz XQOGSINSBMQWMU-CQSZACIVSA-N 0 0 335.385 2.504 10 5 EFBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000184468764 527402025 /nfs/dbraw/zinc/40/20/25/527402025.db2.gz YBMCAEZOAGMMFS-HZPDHXFCSA-N 0 0 346.408 2.818 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3ncc(-c4ccccc4)cn3)nn21 ZINC000185996105 527412619 /nfs/dbraw/zinc/41/26/19/527412619.db2.gz BIHGPQBINUCOON-UHFFFAOYSA-N 0 0 347.338 2.707 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1nc2cc(F)ccc2o1 ZINC000176525336 527462909 /nfs/dbraw/zinc/46/29/09/527462909.db2.gz INTHQDBLQUGMAV-UHFFFAOYSA-N 0 0 340.270 2.633 10 5 EFBERN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000193492731 527501798 /nfs/dbraw/zinc/50/17/98/527501798.db2.gz UCSCTMPKYSGXON-SNVBAGLBSA-N 0 0 348.309 2.673 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000180550286 527566176 /nfs/dbraw/zinc/56/61/76/527566176.db2.gz YUKOIJABOYPRNN-CYBMUJFWSA-N 0 0 344.346 2.558 10 5 EFBERN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@]2(CCOC2)C1 ZINC000153700290 527606104 /nfs/dbraw/zinc/60/61/04/527606104.db2.gz KKTPOEFBVCLWJP-WPTTZPOMSA-N 0 0 336.775 2.900 10 5 EFBERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173451119 527642135 /nfs/dbraw/zinc/64/21/35/527642135.db2.gz DXKYXIPMMOMZAR-LLVKDONJSA-N 0 0 330.388 2.615 10 5 EFBERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194758929 527645356 /nfs/dbraw/zinc/64/53/56/527645356.db2.gz JRWNMYKFGIFHLC-NSHDSACASA-N 0 0 330.388 2.615 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176517747 527661575 /nfs/dbraw/zinc/66/15/75/527661575.db2.gz IJPPSQHMCVHHFN-CYBMUJFWSA-N 0 0 343.387 2.505 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000105847057 527661804 /nfs/dbraw/zinc/66/18/04/527661804.db2.gz PEFQETBUXLJCDO-MRXNPFEDSA-N 0 0 342.399 2.851 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000105846372 527662028 /nfs/dbraw/zinc/66/20/28/527662028.db2.gz ZJYNEARDQWMPOZ-CQSZACIVSA-N 0 0 343.387 2.505 10 5 EFBERN COc1cc(C(=O)Nc2cnc(CC3CC3)nc2)cc([N+](=O)[O-])c1C ZINC000341731835 536535854 /nfs/dbraw/zinc/53/58/54/536535854.db2.gz HARMXAOCNRUYLE-UHFFFAOYSA-N 0 0 342.355 2.907 10 5 EFBERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)no1 ZINC000184456525 528319422 /nfs/dbraw/zinc/31/94/22/528319422.db2.gz WSZLRWXHMCQHFW-CYBMUJFWSA-N 0 0 345.359 2.661 10 5 EFBERN CCOc1ccc(C(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000178616403 528400913 /nfs/dbraw/zinc/40/09/13/528400913.db2.gz SYEYNFHYKFVQDE-UHFFFAOYSA-N 0 0 329.356 2.751 10 5 EFBERN 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C/C(=C/C(=O)N[C@@H]1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000760615034 576053965 /nfs/dbraw/zinc/05/39/65/576053965.db2.gz CIHJYAMFMWARGC-HMVFGEFZSA-N 0 0 338.363 2.987 10 5 EFBERN O=C(COC(=O)c1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000760682919 576061315 /nfs/dbraw/zinc/06/13/15/576061315.db2.gz PLDVKOLXBMNHGM-UHFFFAOYSA-N 0 0 332.337 2.968 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cc[nH]cc-2n1 ZINC000760717307 576066610 /nfs/dbraw/zinc/06/66/10/576066610.db2.gz WFXWBYPQYFUCHR-SECBINFHSA-N 0 0 343.368 2.985 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCC(=O)C1CCOCC1 ZINC000760781985 576074023 /nfs/dbraw/zinc/07/40/23/576074023.db2.gz YTWPQJMRGNAWSO-UHFFFAOYSA-N 0 0 341.747 2.709 10 5 EFBERN CCN(CC)C(=O)COC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000760781912 576074092 /nfs/dbraw/zinc/07/40/92/576074092.db2.gz YHKCPRLAFHGMEF-UHFFFAOYSA-N 0 0 328.752 2.582 10 5 EFBERN COC(=O)/C(C)=C/COC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000760793099 576074925 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EFBERN COc1cccc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)c1F ZINC000761563830 576180622 /nfs/dbraw/zinc/18/06/22/576180622.db2.gz KMYZLLVKCNZVLV-UHFFFAOYSA-N 0 0 335.287 2.978 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1OC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000761786253 576212546 /nfs/dbraw/zinc/21/25/46/576212546.db2.gz IMOZFCAXOZUQKF-UHFFFAOYSA-N 0 0 338.323 2.767 10 5 EFBERN O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CC3(Cl)Cl)cc2N1 ZINC000761871860 576223367 /nfs/dbraw/zinc/22/33/67/576223367.db2.gz AFLIFDWDPNSDJC-LURJTMIESA-N 0 0 332.143 2.531 10 5 EFBERN COc1ccc(OCCCOC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000761981668 576237277 /nfs/dbraw/zinc/23/72/77/576237277.db2.gz HWBLPKXQQOZOHF-UHFFFAOYSA-N 0 0 332.312 2.624 10 5 EFBERN Cc1cccc(-c2noc(COC(=O)c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000761986482 576238335 /nfs/dbraw/zinc/23/83/35/576238335.db2.gz ODCYTQNBUUWYAW-UHFFFAOYSA-N 0 0 340.295 2.705 10 5 EFBERN CCN(CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000762052453 576249983 /nfs/dbraw/zinc/24/99/83/576249983.db2.gz 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0 0 334.307 2.572 10 5 EFBERN Cn1c2cc(NC/C=C\c3ccccc3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804451736 1280214419 /nfs/dbraw/zinc/21/44/19/1280214419.db2.gz UBJQYPJQJOHNNB-TWGQIWQCSA-N 0 0 338.367 2.911 10 5 EFBERN Cc1ccccc1[C@H](O)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000804449796 1280227157 /nfs/dbraw/zinc/22/71/57/1280227157.db2.gz BURBSLBXBSCLAN-OAHLLOKOSA-N 0 0 340.339 2.698 10 5 EFBERN COC(=O)c1cc(C)nc(NCCNc2ccccc2)c1[N+](=O)[O-] ZINC000804464761 1280236908 /nfs/dbraw/zinc/23/69/08/1280236908.db2.gz ZYXVOKYLDMQFQF-UHFFFAOYSA-N 0 0 330.344 2.609 10 5 EFBERN CC(C)CON(CC1CCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000846554922 1280247177 /nfs/dbraw/zinc/24/71/77/1280247177.db2.gz LWJYQNJCQXMDPL-UHFFFAOYSA-N 0 0 338.408 2.938 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cccc(C)c1[N+](=O)[O-])CCN2C ZINC001134945347 1287408687 /nfs/dbraw/zinc/40/86/87/1287408687.db2.gz NLMHWSNGBRDQME-UHFFFAOYSA-N 0 0 326.356 2.703 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000804549408 1280272083 /nfs/dbraw/zinc/27/20/83/1280272083.db2.gz CTSQAIVRBORUPZ-PWSUYJOCSA-N 0 0 349.343 2.602 10 5 EFBERN COc1ccc(CC(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846574777 1280272167 /nfs/dbraw/zinc/27/21/67/1280272167.db2.gz LHPSXALZHSNKOJ-OAHLLOKOSA-N 0 0 340.326 2.794 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CCC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000846576116 1280274075 /nfs/dbraw/zinc/27/40/75/1280274075.db2.gz TWJZZLSVMWYDIB-ZDUSSCGKSA-N 0 0 328.319 2.532 10 5 EFBERN CN(CC(=O)N1CCC[C@@]2(CC2(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000846578183 1280275308 /nfs/dbraw/zinc/27/53/08/1280275308.db2.gz MPUUSISFGNUVLS-OAHLLOKOSA-N 0 0 339.342 2.679 10 5 EFBERN CCc1nn(C)c(OC)c1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872045914 1287410944 /nfs/dbraw/zinc/41/09/44/1287410944.db2.gz BVQABVVLWMNYGP-JTQLQIEISA-N 0 0 336.367 2.889 10 5 EFBERN Cn1cc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000804565455 1280286706 /nfs/dbraw/zinc/28/67/06/1280286706.db2.gz KAABBLSQYXYBIK-UHFFFAOYSA-N 0 0 345.237 2.867 10 5 EFBERN C[C@H](C[C@@H](O)c1cccs1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000804566529 1280287101 /nfs/dbraw/zinc/28/71/01/1280287101.db2.gz UBAMRLPKOLRRHB-NOZJJQNGSA-N 0 0 337.401 2.655 10 5 EFBERN CNC(=O)C(C)(C)CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804563851 1280287625 /nfs/dbraw/zinc/28/76/25/1280287625.db2.gz BAWVVPRODKPMPX-UHFFFAOYSA-N 0 0 344.209 2.850 10 5 EFBERN Cc1cc(OCC(=O)N2CCC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000846580681 1280299183 /nfs/dbraw/zinc/29/91/83/1280299183.db2.gz AZZKWPSKJGKRQX-HNNXBMFYSA-N 0 0 340.326 2.930 10 5 EFBERN CC[C@@H]1CN(c2ccc(C)c(Br)c2[N+](=O)[O-])C[C@@H]1O ZINC000804579658 1280301456 /nfs/dbraw/zinc/30/14/56/1280301456.db2.gz XVQFQXFUBRUKEC-KOLCDFICSA-N 0 0 329.194 2.873 10 5 EFBERN COc1c(C(=O)N2CCC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000846583049 1280303931 /nfs/dbraw/zinc/30/39/31/1280303931.db2.gz NHTSCXGTBIDBMJ-CQSZACIVSA-N 0 0 326.299 2.865 10 5 EFBERN Cc1ccc(N2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804623545 1280323597 /nfs/dbraw/zinc/32/35/97/1280323597.db2.gz BSXUTXAOFNPWFB-MWLCHTKSSA-N 0 0 329.194 2.873 10 5 EFBERN Cc1ccc(N[C@@H](C)c2ncn(C)n2)c([N+](=O)[O-])c1Br ZINC000804630573 1280328651 /nfs/dbraw/zinc/32/86/51/1280328651.db2.gz FLIQCITXWSIFIM-QMMMGPOBSA-N 0 0 340.181 2.967 10 5 EFBERN Cc1ccc(NCC2OCCCO2)c([N+](=O)[O-])c1Br ZINC000804644290 1280333887 /nfs/dbraw/zinc/33/38/87/1280333887.db2.gz GUEPRSBIIWLGEB-UHFFFAOYSA-N 0 0 331.166 2.841 10 5 EFBERN CO[C@@H]1CN(c2ccc(C)c(Br)c2[N+](=O)[O-])C[C@@H]1OC ZINC000804648581 1280336898 /nfs/dbraw/zinc/33/68/98/1280336898.db2.gz GGRCJTAURDCHHP-PHIMTYICSA-N 0 0 345.193 2.516 10 5 EFBERN C[C@@H](C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001129759529 1280337317 /nfs/dbraw/zinc/33/73/17/1280337317.db2.gz PNDGXYKNZFXORE-SNVBAGLBSA-N 0 0 342.355 2.711 10 5 EFBERN Cc1ncc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])o1 ZINC001129748586 1280339413 /nfs/dbraw/zinc/33/94/13/1280339413.db2.gz IZHAIHURDIVNQL-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN Cn1ccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1 ZINC001129879524 1280360299 /nfs/dbraw/zinc/36/02/99/1280360299.db2.gz JEGSNZXVKUSRMD-NSHDSACASA-N 0 0 346.240 2.501 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCCC(=O)NCc2ccccc2)c1 ZINC000747212062 1280377504 /nfs/dbraw/zinc/37/75/04/1280377504.db2.gz QLQRYFOAKULNJP-UHFFFAOYSA-N 0 0 347.346 2.861 10 5 EFBERN COCCCOC1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000747222456 1280398909 /nfs/dbraw/zinc/39/89/09/1280398909.db2.gz BVKNMETYLOQDAY-UHFFFAOYSA-N 0 0 342.367 2.764 10 5 EFBERN COC(=O)Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC001130016478 1280404132 /nfs/dbraw/zinc/40/41/32/1280404132.db2.gz QYBMXTFFCDCUOU-UHFFFAOYSA-N 0 0 346.314 2.631 10 5 EFBERN O=[N+]([O-])c1ccc(OS(=O)(=O)CCCCF)c2cccnc21 ZINC000805065702 1280436134 /nfs/dbraw/zinc/43/61/34/1280436134.db2.gz NGLFQZBKNSNEFE-UHFFFAOYSA-N 0 0 328.321 2.601 10 5 EFBERN O=C(NCc1ncccc1Br)c1csc([N+](=O)[O-])c1 ZINC001134960552 1287422145 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EFBERN O=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000805432335 1280561740 /nfs/dbraw/zinc/56/17/40/1280561740.db2.gz WARBHXJYHBFCDM-UHFFFAOYSA-N 0 0 331.309 2.572 10 5 EFBERN CC[C@H](SC)C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000747251387 1280610595 /nfs/dbraw/zinc/61/05/95/1280610595.db2.gz WBACVXGXHKZBSO-TUAOUCFPSA-N 0 0 327.406 2.960 10 5 EFBERN COc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001130312162 1280690367 /nfs/dbraw/zinc/69/03/67/1280690367.db2.gz BJQRUCYZTNDHFP-ZDUSSCGKSA-N 0 0 343.339 2.560 10 5 EFBERN CCOC(=O)C(C)(C)CC(=O)OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000805661341 1280694500 /nfs/dbraw/zinc/69/45/00/1280694500.db2.gz NCHIAUARDBZAHS-UHFFFAOYSA-N 0 0 339.344 2.626 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccn(-c3ccc(C)cc3)n2)n1 ZINC001130327972 1280716089 /nfs/dbraw/zinc/71/60/89/1280716089.db2.gz WGNAMEDENDRJHV-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN C[C@@H](OC(=O)CO[C@@H](C)c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000805690337 1280718446 /nfs/dbraw/zinc/71/84/46/1280718446.db2.gz LENYCXAJKOVRPR-NEPJUHHUSA-N 0 0 333.344 2.710 10 5 EFBERN C[C@@H](OC(=O)c1sccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000815330421 1287448330 /nfs/dbraw/zinc/44/83/30/1287448330.db2.gz VENXVZBBSAMESY-MRVPVSSYSA-N 0 0 338.316 2.979 10 5 EFBERN O=C(COC(=O)c1sccc1F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000815330613 1287448485 /nfs/dbraw/zinc/44/84/85/1287448485.db2.gz CYUMOOFMCTWRGA-UHFFFAOYSA-N 0 0 342.279 2.730 10 5 EFBERN CCc1ccc(OC(=O)CO[C@@H](C)c2nccn2C)c([N+](=O)[O-])c1 ZINC000805884609 1280879259 /nfs/dbraw/zinc/87/92/59/1280879259.db2.gz VMVBHLIOJLMORI-NSHDSACASA-N 0 0 333.344 2.574 10 5 EFBERN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000872168067 1287457147 /nfs/dbraw/zinc/45/71/47/1287457147.db2.gz OPNDPBBVZBZTMM-QWRGUYRKSA-N 0 0 332.278 2.598 10 5 EFBERN CCc1ccc(C(=O)Nc2cccc(C(=O)OC)n2)cc1[N+](=O)[O-] ZINC001130454923 1280921729 /nfs/dbraw/zinc/92/17/29/1280921729.db2.gz PFDCJYBXBNMCEV-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872169543 1287459197 /nfs/dbraw/zinc/45/91/97/1287459197.db2.gz PDJKPGHUTWAULT-ZHAHWJHGSA-N 0 0 332.278 2.851 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)OCCn2ccc3cc(Cl)ccc32)n1 ZINC000806059975 1280942975 /nfs/dbraw/zinc/94/29/75/1280942975.db2.gz UPHDRBZFOPRKOW-UHFFFAOYSA-N 0 0 348.746 2.793 10 5 EFBERN Cc1ccc(C(N)=O)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001130481762 1280948459 /nfs/dbraw/zinc/94/84/59/1280948459.db2.gz CXUMUWHPMIIPQI-SNVBAGLBSA-N 0 0 345.330 2.883 10 5 EFBERN COc1ccc(NC(=O)COC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000815365055 1287459691 /nfs/dbraw/zinc/45/96/91/1287459691.db2.gz WURWWVVOHCVJPI-YQYWCBKUSA-N 0 0 348.355 2.521 10 5 EFBERN CSc1cccc(C(=O)Nc2cc(C)ccc2C(N)=O)c1[N+](=O)[O-] ZINC001130485372 1280952772 /nfs/dbraw/zinc/95/27/72/1280952772.db2.gz QLRPQRUXOVZZHT-UHFFFAOYSA-N 0 0 345.380 2.976 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc2cc[nH]c2cn1 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ZINC000813112883 1285684285 /nfs/dbraw/zinc/68/42/85/1285684285.db2.gz VQZNSNXMVGACLU-VIFPVBQESA-N 0 0 340.282 2.761 10 5 EFBERN C[C@@H](COC(=O)C(C)(C)c1ccccc1Br)[N+](=O)[O-] ZINC000813112616 1285684394 /nfs/dbraw/zinc/68/43/94/1285684394.db2.gz JRCZWNJOUKGBHN-VIFPVBQESA-N 0 0 330.178 2.935 10 5 EFBERN COc1ccc(C(=O)CC(C)(C)CC(=O)OC[C@H](C)[N+](=O)[O-])cc1 ZINC000813114832 1285685157 /nfs/dbraw/zinc/68/51/57/1285685157.db2.gz HNCKBCFDIJSAHQ-LBPRGKRZSA-N 0 0 337.372 2.893 10 5 EFBERN O=C(CC[C@@H]1CCOC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170691 1285701311 /nfs/dbraw/zinc/70/13/11/1285701311.db2.gz UOMPPOWTLAZKEG-PBHICJAKSA-N 0 0 348.399 2.529 10 5 EFBERN O=C(C[C@@H]1CCCOC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172076 1285702436 /nfs/dbraw/zinc/70/24/36/1285702436.db2.gz FUXVWAOLTRCDNU-RDJZCZTQSA-N 0 0 348.399 2.529 10 5 EFBERN CCOCCCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171665 1285703250 /nfs/dbraw/zinc/70/32/50/1285703250.db2.gz PPKGYOUXEBRHGC-INIZCTEOSA-N 0 0 336.388 2.529 10 5 EFBERN O=C(COC1CCCC1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172834 1285703262 /nfs/dbraw/zinc/70/32/62/1285703262.db2.gz OMADJOJUAQOYQX-KRWDZBQOSA-N 0 0 348.399 2.672 10 5 EFBERN CC(Cl)(Cl)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173031 1285703419 /nfs/dbraw/zinc/70/34/19/1285703419.db2.gz RINAMMXKIQIQTB-LBPRGKRZSA-N 0 0 347.198 2.906 10 5 EFBERN CC[C@H](C)OCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173875 1285703650 /nfs/dbraw/zinc/70/36/50/1285703650.db2.gz LTBQQAMWDODULS-BBRMVZONSA-N 0 0 336.388 2.527 10 5 EFBERN O=C(CC[C@@H]1CCCO1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173489 1285705278 /nfs/dbraw/zinc/70/52/78/1285705278.db2.gz COXHMVIABJJWNK-IRXDYDNUSA-N 0 0 348.399 2.672 10 5 EFBERN C[C@@H](NC(=O)Cc1nn(C)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC001133654312 1285735208 /nfs/dbraw/zinc/73/52/08/1285735208.db2.gz GADBXLWQOMVBJI-GFCCVEGCSA-N 0 0 338.367 2.901 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2cccc(F)n2)c([N+](=O)[O-])c1 ZINC000747848550 1285787216 /nfs/dbraw/zinc/78/72/16/1285787216.db2.gz VRYRPRLHCWZESE-SOFGYWHQSA-N 0 0 331.303 2.927 10 5 EFBERN C[C@H](NC(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001133706731 1285811303 /nfs/dbraw/zinc/81/13/03/1285811303.db2.gz RMVGRFTXJOCPIS-VIFPVBQESA-N 0 0 327.296 2.933 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CC1(Cl)Cl ZINC000813406145 1285887970 /nfs/dbraw/zinc/88/79/70/1285887970.db2.gz URCIUTAKBOQSBO-ZCFIWIBFSA-N 0 0 339.125 2.726 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H](O)Cc1ccccc1)CC2 ZINC000813507168 1285951103 /nfs/dbraw/zinc/95/11/03/1285951103.db2.gz ARSPDMQFVMVUKA-INIZCTEOSA-N 0 0 340.379 2.786 10 5 EFBERN COc1nn(C)cc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813533544 1285983819 /nfs/dbraw/zinc/98/38/19/1285983819.db2.gz DJMGOYDQYPGXAF-UHFFFAOYSA-N 0 0 345.142 2.896 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC001133824434 1286009861 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EFBERN O=C(NCC[C@H]1CCC2(CCC2)O1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001134001811 1286205183 /nfs/dbraw/zinc/20/51/83/1286205183.db2.gz ZZOXRBYRRSUNOV-GFCCVEGCSA-N 0 0 344.371 2.693 10 5 EFBERN C[S@@](=O)(=NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001133994026 1286215072 /nfs/dbraw/zinc/21/50/72/1286215072.db2.gz AYMCZWNUXRHJBR-QHCPKHFHSA-N 0 0 334.353 2.657 10 5 EFBERN COc1ccc(CC(=O)N=[S@](C)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001133996746 1286215617 /nfs/dbraw/zinc/21/56/17/1286215617.db2.gz WIGSMLSQLAPESS-XMMPIXPASA-N 0 0 348.380 2.829 10 5 EFBERN Cc1cc(C(=O)OCCSCC(=O)OC(C)C)cc([N+](=O)[O-])c1 ZINC000814013219 1286237493 /nfs/dbraw/zinc/23/74/93/1286237493.db2.gz UEJNBJXOUYOOFB-UHFFFAOYSA-N 0 0 341.385 2.745 10 5 EFBERN CC(C)c1nccnc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001134034819 1286241966 /nfs/dbraw/zinc/24/19/66/1286241966.db2.gz UULWBNAPIFPIBZ-UHFFFAOYSA-N 0 0 344.327 2.532 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)c1cccc(Br)c1 ZINC000814035168 1286255120 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CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])CC1=O ZINC000814042364 1286273016 /nfs/dbraw/zinc/27/30/16/1286273016.db2.gz IUYZEXONHDDCEI-MJBXVCDLSA-N 0 0 348.399 2.761 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)C1(c2cccc(Br)c2)CC1 ZINC000814043631 1286273426 /nfs/dbraw/zinc/27/34/26/1286273426.db2.gz ZHMKWPNWOPVITC-VIFPVBQESA-N 0 0 328.162 2.689 10 5 EFBERN CCCc1c(C(=O)O[C@@H](C)C[N+](=O)[O-])cnn1-c1ccccc1C ZINC000814045724 1286273758 /nfs/dbraw/zinc/27/37/58/1286273758.db2.gz YHKBFKFLBVARNJ-ZDUSSCGKSA-N 0 0 331.372 2.955 10 5 EFBERN Cc1ccc(CCC(=O)O[C@H](C)C[N+](=O)[O-])c(Br)c1 ZINC000814046323 1286275397 /nfs/dbraw/zinc/27/53/97/1286275397.db2.gz IXHOSGFITQMJPG-SNVBAGLBSA-N 0 0 330.178 2.899 10 5 EFBERN COc1cc(C(=O)O[C@@H](C)C[N+](=O)[O-])ccc1OCCC(C)C ZINC000814046698 1286275745 /nfs/dbraw/zinc/27/57/45/1286275745.db2.gz NWALDKJHZSIVAU-LBPRGKRZSA-N 0 0 325.361 2.942 10 5 EFBERN CCc1nc(C)c(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])o1 ZINC000814071797 1286289045 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C[C@@H](CF)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000814261049 1286447171 /nfs/dbraw/zinc/44/71/71/1286447171.db2.gz FHBSBMIZDZTKEO-LURJTMIESA-N 0 0 330.259 2.658 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@H](O)Cc2ccccc2)c1 ZINC000814262915 1286449027 /nfs/dbraw/zinc/44/90/27/1286449027.db2.gz ZCLBUSYBBRIYTP-CYBMUJFWSA-N 0 0 334.347 2.782 10 5 EFBERN C[C@@H](CNC(=O)c1cccc2c1OCO2)c1ccccc1[N+](=O)[O-] ZINC001134274426 1286518884 /nfs/dbraw/zinc/51/88/84/1286518884.db2.gz KNBVGXRMODNKGB-NSHDSACASA-N 0 0 328.324 2.857 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)Cc2cn(C)nc2Cl)cc1[N+](=O)[O-] ZINC000814412779 1286565308 /nfs/dbraw/zinc/56/53/08/1286565308.db2.gz SSBMKGINWNHCRI-JTQLQIEISA-N 0 0 336.779 2.710 10 5 EFBERN Cn1nc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F ZINC001134374614 1286608559 /nfs/dbraw/zinc/60/85/59/1286608559.db2.gz KYBOMDDZFAQKGW-DAXSKMNVSA-N 0 0 340.261 2.999 10 5 EFBERN CCOC(=O)c1cn(C)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001134399207 1286653454 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O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](c2cnccn2)C1 ZINC001178841314 1288938942 /nfs/dbraw/zinc/93/89/42/1288938942.db2.gz OIKJHHQERJNHAL-JTQLQIEISA-N 0 0 332.747 2.668 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H](N)CC(=O)OC(C)(C)C)no1 ZINC000823394405 1289289578 /nfs/dbraw/zinc/28/95/78/1289289578.db2.gz YONJDQKELJWCQT-LBPRGKRZSA-N 0 0 348.359 2.685 10 5 EFBERN COc1ccccc1OCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179875422 1289301036 /nfs/dbraw/zinc/30/10/36/1289301036.db2.gz VEUADECEUBUTON-UHFFFAOYSA-N 0 0 345.355 2.902 10 5 EFBERN Cc1cc(C)nc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)n1 ZINC001179875476 1289301046 /nfs/dbraw/zinc/30/10/46/1289301046.db2.gz XMSZOQHAXVUISK-UHFFFAOYSA-N 0 0 347.400 2.623 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(Cn3cccn3)o2)c(N)c1[N+](=O)[O-] ZINC001179875273 1289301548 /nfs/dbraw/zinc/30/15/48/1289301548.db2.gz PEGCTJMENHEMTN-UHFFFAOYSA-N 0 0 341.327 2.576 10 5 EFBERN Cc1ccc(NC(=O)c2cccc3c2CC(=O)CC3)c(N)c1[N+](=O)[O-] ZINC001179879888 1289303734 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EFBERN NC(=O)c1ccc(CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC001165925175 1312705725 /nfs/dbraw/zinc/70/57/25/1312705725.db2.gz DIRZREWPBBGSOB-UHFFFAOYSA-N 0 0 336.351 2.800 10 5 EFBERN CCOC(=O)Cc1ccc(N(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000825626705 1289412243 /nfs/dbraw/zinc/41/22/43/1289412243.db2.gz AAMLVKYTMDALIE-AWEZNQCLSA-N 0 0 336.388 2.706 10 5 EFBERN COC(=O)c1conc1C(C)(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000823680847 1289421501 /nfs/dbraw/zinc/42/15/01/1289421501.db2.gz ODUUZLIOHXGJRX-UHFFFAOYSA-N 0 0 337.307 2.533 10 5 EFBERN Cc1cccnc1[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)C ZINC001180184928 1289430816 /nfs/dbraw/zinc/43/08/16/1289430816.db2.gz SWYYKGFLTRLZDF-AWEZNQCLSA-N 0 0 331.376 2.549 10 5 EFBERN Cc1c(C[S@@](C)=O)cccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001136800924 1289488820 /nfs/dbraw/zinc/48/88/20/1289488820.db2.gz IFVPDDOWKBWBTB-JOCHJYFZSA-N 0 0 326.418 2.648 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823920728 1289492954 /nfs/dbraw/zinc/49/29/54/1289492954.db2.gz APWOVPSTLZWOOH-LLVKDONJSA-N 0 0 334.376 2.742 10 5 EFBERN CC(C)[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000823927040 1289494418 /nfs/dbraw/zinc/49/44/18/1289494418.db2.gz LMLQIGGKMOWYSU-OAHLLOKOSA-N 0 0 348.403 2.652 10 5 EFBERN C[C@@]12CN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000823933309 1289495167 /nfs/dbraw/zinc/49/51/67/1289495167.db2.gz OMIONOXMRPOWFX-PCUPFXIVSA-N 0 0 328.372 2.853 10 5 EFBERN Nc1ccc(NC(=O)N2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000823933019 1289495370 /nfs/dbraw/zinc/49/53/70/1289495370.db2.gz JATBNNBOONNKJR-CYBMUJFWSA-N 0 0 334.376 2.600 10 5 EFBERN Nc1ccc(NC(=O)N2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000823974127 1289503415 /nfs/dbraw/zinc/50/34/15/1289503415.db2.gz PKIIBRDVXLEJDL-UHFFFAOYSA-N 0 0 341.371 2.984 10 5 EFBERN Nc1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000823981580 1289505806 /nfs/dbraw/zinc/50/58/06/1289505806.db2.gz ZYZHFWAVKGRDCD-CQSZACIVSA-N 0 0 348.384 2.844 10 5 EFBERN CCOC1CC2(C[C@H]2NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000873027599 1289527995 /nfs/dbraw/zinc/52/79/95/1289527995.db2.gz WDVDSJYETHBMHI-OEJTXDDUSA-N 0 0 333.388 2.913 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001180764253 1289624955 /nfs/dbraw/zinc/62/49/55/1289624955.db2.gz BZRHDXHSIFKHGL-OLZOCXBDSA-N 0 0 337.339 2.917 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H](O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000124434448 1289627625 /nfs/dbraw/zinc/62/76/25/1289627625.db2.gz QUXOWKXEHMINNO-HNNXBMFYSA-N 0 0 348.330 2.596 10 5 EFBERN Nc1ccc(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001181033306 1289698145 /nfs/dbraw/zinc/69/81/45/1289698145.db2.gz VPHYGRHQQRYQFH-HUUCEWRRSA-N 0 0 325.368 2.786 10 5 EFBERN Cc1ccc(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1[N+](=O)[O-] ZINC001166110043 1312732418 /nfs/dbraw/zinc/73/24/18/1312732418.db2.gz ANFPWXHSJUOKSU-UHFFFAOYSA-N 0 0 329.268 2.768 10 5 EFBERN Cn1cc(COc2cc(F)c([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])n1 ZINC001166150464 1312737808 /nfs/dbraw/zinc/73/78/08/1312737808.db2.gz TWNBUXKQTXANAH-UHFFFAOYSA-N 0 0 330.659 2.608 10 5 EFBERN CC(=O)N1CCC[C@@H](COC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873511630 1289883420 /nfs/dbraw/zinc/88/34/20/1289883420.db2.gz KUUZZVBKJFHSJI-CQSZACIVSA-N 0 0 334.372 2.627 10 5 EFBERN CC(C)(COC(=O)Cc1ccc(OCc2ccncc2)cc1)[N+](=O)[O-] ZINC000873542800 1289909746 /nfs/dbraw/zinc/90/97/46/1289909746.db2.gz AFXRTJWWZQJYOA-UHFFFAOYSA-N 0 0 344.367 2.802 10 5 EFBERN Cc1cc(C)c2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)C2 ZINC001181697398 1289921641 /nfs/dbraw/zinc/92/16/41/1289921641.db2.gz ALEXAZQDIYEKGB-UHFFFAOYSA-N 0 0 325.368 2.992 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001181734920 1289936612 /nfs/dbraw/zinc/93/66/12/1289936612.db2.gz RHPOMCVDUPRBFE-OUCADQQQSA-N 0 0 345.380 2.768 10 5 EFBERN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@H]1CC12CC2 ZINC000873627024 1289977317 /nfs/dbraw/zinc/97/73/17/1289977317.db2.gz PUFVGLJJBIURLT-TZMCWYRMSA-N 0 0 346.383 2.777 10 5 EFBERN COC(=O)c1ccoc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803520462 1312751690 /nfs/dbraw/zinc/75/16/90/1312751690.db2.gz NDKNSYUINNBIEA-UHFFFAOYSA-N 0 0 341.222 2.610 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOc1cc(F)c(Cl)cc1C=O ZINC001166257311 1312753280 /nfs/dbraw/zinc/75/32/80/1312753280.db2.gz VTTYGPAXPTWUME-UHFFFAOYSA-N 0 0 327.699 2.784 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)OCC(=O)[C@@H]1Cc2ccccc21 ZINC000795544537 1290072461 /nfs/dbraw/zinc/07/24/61/1290072461.db2.gz SBFDVHYQSKDMOY-QGZVFWFLSA-N 0 0 339.347 2.980 10 5 EFBERN CN(Cc1ccc(OC(F)(F)F)cc1)c1nn(C)cc1[N+](=O)[O-] ZINC001184776099 1290518803 /nfs/dbraw/zinc/51/88/03/1290518803.db2.gz YDQZXQYDSROWLU-UHFFFAOYSA-N 0 0 330.266 2.863 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCc3ccc(O)cc3)c2c1 ZINC001184925652 1290550619 /nfs/dbraw/zinc/55/06/19/1290550619.db2.gz ASYLHXGEWRORRA-UHFFFAOYSA-N 0 0 340.295 2.791 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2csc3ccccc23)n1 ZINC000795578805 1290618336 /nfs/dbraw/zinc/61/83/36/1290618336.db2.gz YYVICTXKJMNDEJ-UHFFFAOYSA-N 0 0 345.336 2.583 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OC[C@H]1CCC[C@@H](O)C1 ZINC000795603839 1290645212 /nfs/dbraw/zinc/64/52/12/1290645212.db2.gz HFFKWAIDBRZZJO-GXSJLCMTSA-N 0 0 329.299 2.510 10 5 EFBERN CC[C@H](CO)N1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001185555484 1290706969 /nfs/dbraw/zinc/70/69/69/1290706969.db2.gz SNZBOBPJJGTUPY-SNVBAGLBSA-N 0 0 348.230 2.795 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H](CO)c1ccccc1 ZINC001185544889 1290717441 /nfs/dbraw/zinc/71/74/41/1290717441.db2.gz VNDYJJQJFDPRIP-CYBMUJFWSA-N 0 0 341.342 2.892 10 5 EFBERN O=[N+]([O-])c1cnn(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001185725999 1290752460 /nfs/dbraw/zinc/75/24/60/1290752460.db2.gz CBHJMWMNOFNXEX-UHFFFAOYSA-N 0 0 345.237 2.830 10 5 EFBERN Cc1c(CC(=O)N2NC(=O)C[C@]23CCCC[C@@H]3C)cccc1[N+](=O)[O-] ZINC001166642253 1312810102 /nfs/dbraw/zinc/81/01/02/1312810102.db2.gz AQXRHUDLPSOBLF-SGTLLEGYSA-N 0 0 345.399 2.658 10 5 EFBERN CN(CCc1cnccn1)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001185969556 1290802854 /nfs/dbraw/zinc/80/28/54/1290802854.db2.gz NQASZUWEZAWDHM-UHFFFAOYSA-N 0 0 327.319 2.751 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2cccnc2OCC(F)F)c(F)c1 ZINC001186009894 1290809904 /nfs/dbraw/zinc/80/99/04/1290809904.db2.gz HSQNIFSIUMMTGM-UHFFFAOYSA-N 0 0 328.250 2.780 10 5 EFBERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825849964 1290820493 /nfs/dbraw/zinc/82/04/93/1290820493.db2.gz LATNGWCOZWLBBS-SSKCKEOISA-N 0 0 326.352 2.678 10 5 EFBERN NC(=O)c1cc(NCc2cc(Cl)cc3c2OCC3)ccc1[N+](=O)[O-] ZINC001186069774 1290827485 /nfs/dbraw/zinc/82/74/85/1290827485.db2.gz GYBNNGJAPIKDEE-UHFFFAOYSA-N 0 0 347.758 2.894 10 5 EFBERN C[Si](C)(C)c1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001186220436 1290914550 /nfs/dbraw/zinc/91/45/50/1290914550.db2.gz DACRFFGPBWZQBW-UHFFFAOYSA-N 0 0 343.459 2.851 10 5 EFBERN CO[C@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001186493006 1290965190 /nfs/dbraw/zinc/96/51/90/1290965190.db2.gz ZLOSUNJWOAOEPU-BONVTDFDSA-N 0 0 346.343 2.912 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC[C@H](CCCO)C3)c2c1 ZINC001186688570 1291005477 /nfs/dbraw/zinc/00/54/77/1291005477.db2.gz MFDSQYWZAGXPQU-NSHDSACASA-N 0 0 346.343 2.650 10 5 EFBERN COC(=O)c1ccc(CNc2nc3ccccn3c2[N+](=O)[O-])s1 ZINC001186764802 1291015729 /nfs/dbraw/zinc/01/57/29/1291015729.db2.gz WUCGXGGBHSTLJI-UHFFFAOYSA-N 0 0 332.341 2.703 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000775055148 1291021132 /nfs/dbraw/zinc/02/11/32/1291021132.db2.gz QCCFXSTUSISULS-NSHDSACASA-N 0 0 331.275 2.707 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCc2c(C)nnn2CC)cc1C ZINC001186815350 1291023130 /nfs/dbraw/zinc/02/31/30/1291023130.db2.gz VVYGPIQAJNIMNS-UHFFFAOYSA-N 0 0 347.375 2.612 10 5 EFBERN Cn1cc(CNc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])n1 ZINC000876840480 1291042913 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CC1(C)C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCS1(=O)=O ZINC001187775174 1291221273 /nfs/dbraw/zinc/22/12/73/1291221273.db2.gz XORVLEIHSZLCKF-LLVKDONJSA-N 0 0 349.412 2.911 10 5 EFBERN CC1(C)C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCS1(=O)=O ZINC001187775175 1291221849 /nfs/dbraw/zinc/22/18/49/1291221849.db2.gz XORVLEIHSZLCKF-NSHDSACASA-N 0 0 349.412 2.911 10 5 EFBERN Cc1cc(NCC(C)(C)[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001187808040 1291238035 /nfs/dbraw/zinc/23/80/35/1291238035.db2.gz XXUDIUSRINKIMK-LBPRGKRZSA-N 0 0 330.388 2.601 10 5 EFBERN COc1cnc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2F)[nH]c1=O ZINC001187823448 1291240120 /nfs/dbraw/zinc/24/01/20/1291240120.db2.gz BVOKWWXHDIJNFC-GFCCVEGCSA-N 0 0 334.307 2.580 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H]2CCOC23CCCC3)c1[N+](=O)[O-] ZINC001187840755 1291244322 /nfs/dbraw/zinc/24/43/22/1291244322.db2.gz DFGSBGDKAIMIGP-GFCCVEGCSA-N 0 0 335.360 2.680 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001187889517 1291263824 /nfs/dbraw/zinc/26/38/24/1291263824.db2.gz UQQMMHADWPRHNL-PHIMTYICSA-N 0 0 339.396 2.587 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877693594 1291332775 /nfs/dbraw/zinc/33/27/75/1291332775.db2.gz LPDJCNPKUJMLPP-GXSJLCMTSA-N 0 0 338.713 2.851 10 5 EFBERN Cc1nn(CN2CCOC[C@H]2CC(F)F)c2ccc([N+](=O)[O-])cc12 ZINC000795729812 1291341913 /nfs/dbraw/zinc/34/19/13/1291341913.db2.gz KRIILHALMPFEEL-GFCCVEGCSA-N 0 0 340.330 2.566 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1csc(Cl)n1 ZINC001188324293 1291369670 /nfs/dbraw/zinc/36/96/70/1291369670.db2.gz FJMBKSYQAMIPNK-UHFFFAOYSA-N 0 0 332.790 2.987 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCSC(F)(F)F ZINC000877881533 1291405390 /nfs/dbraw/zinc/40/53/90/1291405390.db2.gz KEHTXRKJJXXWDU-UHFFFAOYSA-N 0 0 335.263 2.665 10 5 EFBERN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CCSC(F)(F)F ZINC000877889292 1291406456 /nfs/dbraw/zinc/40/64/56/1291406456.db2.gz FLIQGYLWPQRDGZ-UHFFFAOYSA-N 0 0 335.263 2.665 10 5 EFBERN O=C(Cn1ccc(=O)c2sccc21)c1ccc([N+](=O)[O-])cc1F ZINC001188787402 1291468159 /nfs/dbraw/zinc/46/81/59/1291468159.db2.gz CCIFXSDZJUCBFZ-UHFFFAOYSA-N 0 0 332.312 2.993 10 5 EFBERN O=c1c(Br)cc([N+](=O)[O-])cn1CCc1cccc(F)c1 ZINC001188988059 1291537951 /nfs/dbraw/zinc/53/79/51/1291537951.db2.gz ICZGWTZHGHZIDC-UHFFFAOYSA-N 0 0 341.136 2.901 10 5 EFBERN CC[C@H]1CCC[C@@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000878200964 1291553033 /nfs/dbraw/zinc/55/30/33/1291553033.db2.gz WDLOCAVBKYUICI-KBXCAEBGSA-N 0 0 346.431 2.855 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001137129284 1291553592 /nfs/dbraw/zinc/55/35/92/1291553592.db2.gz BVVDKLXEOWLHSE-UHFFFAOYSA-N 0 0 348.790 2.536 10 5 EFBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCc1cncs1 ZINC001189104782 1291586940 /nfs/dbraw/zinc/58/69/40/1291586940.db2.gz VXGABVLUDDTRKW-UHFFFAOYSA-N 0 0 348.409 2.633 10 5 EFBERN COc1ccc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)cc1C ZINC001166917321 1312866768 /nfs/dbraw/zinc/86/67/68/1312866768.db2.gz CSHDNICAVIEITA-UHFFFAOYSA-N 0 0 325.328 2.614 10 5 EFBERN CCOc1cc(COC(=O)Cc2ccc(F)cn2)ccc1[N+](=O)[O-] ZINC000795893312 1291619994 /nfs/dbraw/zinc/61/99/94/1291619994.db2.gz CEMBORDKNOYDPO-UHFFFAOYSA-N 0 0 334.303 2.814 10 5 EFBERN Cc1ncc([N+](=O)[O-])c(OCC(=O)Nc2cc(F)ccc2F)c1C ZINC001189505092 1291738964 /nfs/dbraw/zinc/73/89/64/1291738964.db2.gz SEVZPQHTISPVLW-UHFFFAOYSA-N 0 0 337.282 2.902 10 5 EFBERN Nc1ccn(Cc2cccc(SC(F)(F)F)c2)c(=O)c1[N+](=O)[O-] ZINC001189722202 1291812767 /nfs/dbraw/zinc/81/27/67/1291812767.db2.gz WQHWXQYYINCNIJ-UHFFFAOYSA-N 0 0 345.302 2.999 10 5 EFBERN COc1ccc(NC(=O)[C@@H](C)OC(=O)CCC(F)F)c([N+](=O)[O-])c1 ZINC000796019767 1291874600 /nfs/dbraw/zinc/87/46/00/1291874600.db2.gz GPEHLLHTOMAFMO-MRVPVSSYSA-N 0 0 346.286 2.519 10 5 EFBERN O=C(COC(=O)CCC(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000796020826 1291875238 /nfs/dbraw/zinc/87/52/38/1291875238.db2.gz IVIOGJBPXDICIZ-UHFFFAOYSA-N 0 0 336.678 2.775 10 5 EFBERN COc1ccc(NC(=O)[C@H](C)OC(=O)CCC(F)F)c([N+](=O)[O-])c1 ZINC000796019768 1291875369 /nfs/dbraw/zinc/87/53/69/1291875369.db2.gz GPEHLLHTOMAFMO-QMMMGPOBSA-N 0 0 346.286 2.519 10 5 EFBERN CC[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000796029156 1291889088 /nfs/dbraw/zinc/88/90/88/1291889088.db2.gz UUWBMOLITFCQJA-CABCVRRESA-N 0 0 344.371 2.843 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc2cc[nH]c2c1 ZINC000796054706 1291908834 /nfs/dbraw/zinc/90/88/34/1291908834.db2.gz OQRMGMDLRKCZHZ-UHFFFAOYSA-N 0 0 348.336 2.852 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1ccc2cc[nH]c2c1 ZINC000796058656 1291913131 /nfs/dbraw/zinc/91/31/31/1291913131.db2.gz PQNXUHUJCKVKQP-UHFFFAOYSA-N 0 0 336.300 2.983 10 5 EFBERN Cc1ccc(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000796081452 1291942087 /nfs/dbraw/zinc/94/20/87/1291942087.db2.gz MPYFXUIQFVUCAF-UHFFFAOYSA-N 0 0 331.397 2.814 10 5 EFBERN CC(C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000879114647 1291975015 /nfs/dbraw/zinc/97/50/15/1291975015.db2.gz CNPNYVQQRHVMGA-UHFFFAOYSA-N 0 0 334.372 2.922 10 5 EFBERN Cc1cc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2F)no1 ZINC001190235831 1292098782 /nfs/dbraw/zinc/09/87/82/1292098782.db2.gz QVBVFXJMWLUTFA-UHFFFAOYSA-N 0 0 325.321 2.902 10 5 EFBERN CC(=O)CCCCCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001190303790 1292101383 /nfs/dbraw/zinc/10/13/83/1292101383.db2.gz SSZMCJXHKWZARG-UHFFFAOYSA-N 0 0 342.417 2.639 10 5 EFBERN CC(=O)CCCCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC001190303740 1292101522 /nfs/dbraw/zinc/10/15/22/1292101522.db2.gz QOIJHQBRWYGZRV-UHFFFAOYSA-N 0 0 342.417 2.639 10 5 EFBERN Cc1ccc(COC(=O)c2ccnc3c2ncn3C)cc1[N+](=O)[O-] ZINC001273601934 1292177129 /nfs/dbraw/zinc/17/71/29/1292177129.db2.gz SXSWWBBOSVJDFU-UHFFFAOYSA-N 0 0 326.312 2.542 10 5 EFBERN CC(C)c1[nH]nc(C(=O)OCc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000796254910 1292625420 /nfs/dbraw/zinc/62/54/20/1292625420.db2.gz ZETFITXESNYQND-UHFFFAOYSA-N 0 0 347.327 2.570 10 5 EFBERN CCCc1[nH]nc(C(=O)OCCc2cccc(F)c2F)c1[N+](=O)[O-] ZINC000796261184 1292668847 /nfs/dbraw/zinc/66/88/47/1292668847.db2.gz QBXMIFFPTNHYOK-UHFFFAOYSA-N 0 0 339.298 2.948 10 5 EFBERN CC(=O)c1cccc(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC001191935249 1292720200 /nfs/dbraw/zinc/72/02/00/1292720200.db2.gz QLPWPMKYJBUKJK-UHFFFAOYSA-N 0 0 348.380 2.584 10 5 EFBERN COC(=O)c1cc(COC(=O)c2cccc([N+](=O)[O-])c2OC)c(C)o1 ZINC000796310063 1292859086 /nfs/dbraw/zinc/85/90/86/1292859086.db2.gz PHMZCSKXPRDIBV-UHFFFAOYSA-N 0 0 349.295 2.648 10 5 EFBERN COC[C@H](C)CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863515 1293035152 /nfs/dbraw/zinc/03/51/52/1293035152.db2.gz AEIDKNWYYWCDLD-SECBINFHSA-N 0 0 345.193 2.646 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000882059723 1293086930 /nfs/dbraw/zinc/08/69/30/1293086930.db2.gz LEHQQEGHASYGKM-GFCCVEGCSA-N 0 0 334.372 2.965 10 5 EFBERN C[C@H](NS(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000882224119 1293134562 /nfs/dbraw/zinc/13/45/62/1293134562.db2.gz CRGWHLIXAMLZCZ-CABZTGNLSA-N 0 0 334.344 2.621 10 5 EFBERN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000882280808 1293150339 /nfs/dbraw/zinc/15/03/39/1293150339.db2.gz KVOHUDYYTRDHQD-PPHDSNJXSA-N 0 0 334.372 2.570 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC2(CCC2)O1 ZINC000882551430 1293242928 /nfs/dbraw/zinc/24/29/28/1293242928.db2.gz PMEWPVXXIQFEKN-OAHLLOKOSA-N 0 0 346.383 2.776 10 5 EFBERN Nc1c(C(=O)N2CCCC[C@@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000882913185 1293381277 /nfs/dbraw/zinc/38/12/77/1293381277.db2.gz LRUAZVLRQWUVRA-CQSZACIVSA-N 0 0 347.415 2.846 10 5 EFBERN COc1cccc2c1OCCC[C@H]2NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000883150736 1293481223 /nfs/dbraw/zinc/48/12/23/1293481223.db2.gz SDLLBVDCACWBQO-CYBMUJFWSA-N 0 0 345.355 2.586 10 5 EFBERN CCOc1ccc(C(=O)NC[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000131110312 1293481417 /nfs/dbraw/zinc/48/14/17/1293481417.db2.gz JQBDYNDLDOXYEH-HNNXBMFYSA-N 0 0 348.330 2.596 10 5 EFBERN COc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1CO ZINC000133064225 1293767813 /nfs/dbraw/zinc/76/78/13/1293767813.db2.gz OWSHPVOCTFVNGN-UHFFFAOYSA-N 0 0 334.303 2.796 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800090399 1293914320 /nfs/dbraw/zinc/91/43/20/1293914320.db2.gz CYEXVDWDBGAGOZ-CQSZACIVSA-N 0 0 346.770 2.911 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@@H]1C(F)F ZINC000800210559 1293958979 /nfs/dbraw/zinc/95/89/79/1293958979.db2.gz RYDHDWFMXKUYQH-GFCCVEGCSA-N 0 0 332.278 2.759 10 5 EFBERN COc1cc(C)ccc1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134130889 1294078600 /nfs/dbraw/zinc/07/86/00/1294078600.db2.gz UPLPMGHZXNYGHO-UHFFFAOYSA-N 0 0 337.353 2.821 10 5 EFBERN CC(=O)c1c(NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cccc1[N+](=O)[O-] ZINC000884695154 1294220673 /nfs/dbraw/zinc/22/06/73/1294220673.db2.gz MCKLJIDKWYQKIC-BTJLNZGRSA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1c(NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cccc1[N+](=O)[O-] ZINC000884695156 1294221189 /nfs/dbraw/zinc/22/11/89/1294221189.db2.gz MCKLJIDKWYQKIC-ZUCKAHLUSA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1ccc(NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c([N+](=O)[O-])c1 ZINC000884696866 1294221870 /nfs/dbraw/zinc/22/18/70/1294221870.db2.gz RODZMVOJRSJJJN-HYSWKAIVSA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000884697015 1294222433 /nfs/dbraw/zinc/22/24/33/1294222433.db2.gz TWMQDIJYJZMMKV-HYSWKAIVSA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000884697432 1294222969 /nfs/dbraw/zinc/22/29/69/1294222969.db2.gz ZFVHNQADKVCYPV-YLVFBTJISA-N 0 0 334.372 2.936 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2ncccn2)C1 ZINC000884712206 1294229004 /nfs/dbraw/zinc/22/90/04/1294229004.db2.gz LAYVFLKPAIQNMU-CYBMUJFWSA-N 0 0 326.356 2.971 10 5 EFBERN CC(=O)c1cc(N2CC[C@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000884728444 1294234378 /nfs/dbraw/zinc/23/43/78/1294234378.db2.gz QRMASYMDFYCHKL-ZDUSSCGKSA-N 0 0 332.278 2.549 10 5 EFBERN C[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccns1 ZINC001196674097 1294329809 /nfs/dbraw/zinc/32/98/09/1294329809.db2.gz BQPVNMRLSLNJRC-VIFPVBQESA-N 0 0 331.357 2.952 10 5 EFBERN C[C@@H](NC(=O)N[C@H]1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC001234155023 1313069930 /nfs/dbraw/zinc/06/99/30/1313069930.db2.gz XSXKCBOGGXJYMB-RISCZKNCSA-N 0 0 341.367 2.828 10 5 EFBERN O=C(OCCC(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000867200107 1294374965 /nfs/dbraw/zinc/37/49/65/1294374965.db2.gz GESUTKLSDPSSHF-UHFFFAOYSA-N 0 0 336.270 2.517 10 5 EFBERN CC(C)(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000794428902 1294438959 /nfs/dbraw/zinc/43/89/59/1294438959.db2.gz TVYNNPBJTMQOQU-UHFFFAOYSA-N 0 0 329.150 2.911 10 5 EFBERN O=C(COC(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000803744491 1313081632 /nfs/dbraw/zinc/08/16/32/1313081632.db2.gz FQZGPINGCJDWQQ-UONOGXRCSA-N 0 0 340.335 2.880 10 5 EFBERN Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cs1 ZINC000803757998 1313102482 /nfs/dbraw/zinc/10/24/82/1313102482.db2.gz IVJSTTOPVSACPY-UHFFFAOYSA-N 0 0 338.316 2.899 10 5 EFBERN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]2C[C@H]21 ZINC000886409070 1294944829 /nfs/dbraw/zinc/94/48/29/1294944829.db2.gz IYUYDDOPPBSWPG-BARDWOONSA-N 0 0 346.383 2.646 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC=CCC1 ZINC000867263151 1294962467 /nfs/dbraw/zinc/96/24/67/1294962467.db2.gz GXDPZGQRDHEJSL-UHFFFAOYSA-N 0 0 325.162 2.688 10 5 EFBERN COC1(CS(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000867275661 1295091695 /nfs/dbraw/zinc/09/16/95/1295091695.db2.gz ZKDMJUDIVUUUMO-UHFFFAOYSA-N 0 0 349.792 2.916 10 5 EFBERN O=C(NC[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000887476230 1295398862 /nfs/dbraw/zinc/39/88/62/1295398862.db2.gz DSXIDCBNGVDOEY-MWDXBVQZSA-N 0 0 330.384 2.772 10 5 EFBERN COC1(CS(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])CCC1 ZINC000867307440 1295463332 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CC(=O)c1ccc(N2CCC[C@H](C(=O)NC(C)C)C2)c([N+](=O)[O-])c1 ZINC000853962526 1300365788 /nfs/dbraw/zinc/36/57/88/1300365788.db2.gz GVXJFSXSEIBGPT-AWEZNQCLSA-N 0 0 333.388 2.538 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000853979760 1300372358 /nfs/dbraw/zinc/37/23/58/1300372358.db2.gz VUANUABKDBWGHH-NSHDSACASA-N 0 0 332.278 2.955 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H](CC(F)(F)F)O1 ZINC000853978764 1300372885 /nfs/dbraw/zinc/37/28/85/1300372885.db2.gz HZQDCACCNGXKKD-SFYZADRCSA-N 0 0 346.265 2.677 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000853979882 1300373160 /nfs/dbraw/zinc/37/31/60/1300373160.db2.gz YVKUOUAOUYUXFB-QMMMGPOBSA-N 0 0 335.238 2.661 10 5 EFBERN CCn1nccc1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000853998600 1300383618 /nfs/dbraw/zinc/38/36/18/1300383618.db2.gz AIZRMXFWIMOBSZ-FNORWQNLSA-N 0 0 330.344 2.610 10 5 EFBERN C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000853999852 1300383660 /nfs/dbraw/zinc/38/36/60/1300383660.db2.gz QCYZVHDPNWKRIO-OQPBUACISA-N 0 0 331.275 2.752 10 5 EFBERN C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000853999851 1300383903 /nfs/dbraw/zinc/38/39/03/1300383903.db2.gz QCYZVHDPNWKRIO-ISVAXAHUSA-N 0 0 331.275 2.752 10 5 EFBERN CC1(C)Cc2n[nH]cc2CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000854054965 1300409642 /nfs/dbraw/zinc/40/96/42/1300409642.db2.gz DANKHOVLSLGMIR-UHFFFAOYSA-N 0 0 345.359 2.811 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H](CO)CC2CCC2)c([N+](=O)[O-])c1 ZINC000795251349 1300416681 /nfs/dbraw/zinc/41/66/81/1300416681.db2.gz JKKWDUATFYEGNB-QPBFKRLHSA-N 0 0 334.372 2.744 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ncnn21 ZINC000854184580 1300464246 /nfs/dbraw/zinc/46/42/46/1300464246.db2.gz FASATHIVERNEMP-XCBNKYQSSA-N 0 0 336.739 2.667 10 5 EFBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2COC[C@H]2C1 ZINC000854183652 1300464314 /nfs/dbraw/zinc/46/43/14/1300464314.db2.gz AEKLVVCGTAJRNO-VHSXEESVSA-N 0 0 325.752 2.748 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1NC(=O)CC12CCCCC2 ZINC000854450574 1300573326 /nfs/dbraw/zinc/57/33/26/1300573326.db2.gz WEOXUPQNCGGXMI-ACCUITESSA-N 0 0 343.383 2.965 10 5 EFBERN COC(=O)/C(C)=C/COc1ccc(Br)cc1[N+](=O)[O-] ZINC000088629910 1300577254 /nfs/dbraw/zinc/57/72/54/1300577254.db2.gz LOLIRUYRZTVVAN-VMPITWQZSA-N 0 0 330.134 2.855 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000795277701 1300587690 /nfs/dbraw/zinc/58/76/90/1300587690.db2.gz FQIKGQDLHGMXSC-MRXNPFEDSA-N 0 0 340.351 2.517 10 5 EFBERN CCOC(=O)C1CCC(CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854496300 1300592378 /nfs/dbraw/zinc/59/23/78/1300592378.db2.gz IMEFTSUJPDKGKW-UHFFFAOYSA-N 0 0 349.387 2.875 10 5 EFBERN C/C(=C\C(=O)NCCO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000854551124 1300618095 /nfs/dbraw/zinc/61/80/95/1300618095.db2.gz CSVFMPVIBLDGBU-GZKZCVOOSA-N 0 0 334.372 2.658 10 5 EFBERN 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335.751 2.584 10 5 EFBERN C[C@@H]1CC(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000855393041 1300940976 /nfs/dbraw/zinc/94/09/76/1300940976.db2.gz KHUMPVAWIBTWHA-STQMWFEESA-N 0 0 348.399 2.975 10 5 EFBERN C[C@H]1C[C@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000855393040 1300941084 /nfs/dbraw/zinc/94/10/84/1300941084.db2.gz KHUMPVAWIBTWHA-NHAGDIPZSA-N 0 0 348.399 2.975 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000855522133 1300993632 /nfs/dbraw/zinc/99/36/32/1300993632.db2.gz KONQYYPMUIRRHK-JTQLQIEISA-N 0 0 349.343 2.595 10 5 EFBERN C[C@H]1COC2(CCC2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000855519513 1300994676 /nfs/dbraw/zinc/99/46/76/1300994676.db2.gz UOLJRFRBGMPDKU-VIFPVBQESA-N 0 0 326.299 2.657 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000855530756 1301001018 /nfs/dbraw/zinc/00/10/18/1301001018.db2.gz MICWCFJMGZXUHL-JXMROGBWSA-N 0 0 330.384 2.883 10 5 EFBERN COc1cc2c(cc1F)CN(c1ccc([N+](=O)[O-])c3nonc31)CC2 ZINC000776819375 1301015843 /nfs/dbraw/zinc/01/58/43/1301015843.db2.gz NRCYQFWKAFTIKT-UHFFFAOYSA-N 0 0 344.302 2.841 10 5 EFBERN C/C(=C\C(=O)NCCO[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000855608494 1301031834 /nfs/dbraw/zinc/03/18/34/1301031834.db2.gz HIHSAXUIXFNZEC-AORWBKJGSA-N 0 0 326.299 2.539 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000855717502 1301073477 /nfs/dbraw/zinc/07/34/77/1301073477.db2.gz YGNGEYVCHIZOHH-ZBFHGGJFSA-N 0 0 342.351 2.902 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000855717501 1301073605 /nfs/dbraw/zinc/07/36/05/1301073605.db2.gz YGNGEYVCHIZOHH-HOCLYGCPSA-N 0 0 342.351 2.902 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000855717500 1301073976 /nfs/dbraw/zinc/07/39/76/1301073976.db2.gz YGNGEYVCHIZOHH-GOEBONIOSA-N 0 0 342.351 2.902 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000855717499 1301074048 /nfs/dbraw/zinc/07/40/48/1301074048.db2.gz YGNGEYVCHIZOHH-GDBMZVCRSA-N 0 0 342.351 2.902 10 5 EFBERN COc1cc(C(=O)N[C@H]2C[C@H](O)c3ccccc32)cc([N+](=O)[O-])c1C ZINC000855728340 1301080813 /nfs/dbraw/zinc/08/08/13/1301080813.db2.gz NZNFRHJNMISPJD-HOCLYGCPSA-N 0 0 342.351 2.820 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000855728735 1301081236 /nfs/dbraw/zinc/08/12/36/1301081236.db2.gz PGXLKTFMZVPMOM-DZGCQCFKSA-N 0 0 342.351 2.902 10 5 EFBERN COc1cc(C(=O)N[C@@H]2C[C@H](O)c3ccccc32)cc([N+](=O)[O-])c1C ZINC000855728341 1301081564 /nfs/dbraw/zinc/08/15/64/1301081564.db2.gz NZNFRHJNMISPJD-ZBFHGGJFSA-N 0 0 342.351 2.820 10 5 EFBERN O=C(N[C@H]1C[C@@H](O)c2ccccc21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000855732982 1301086093 /nfs/dbraw/zinc/08/60/93/1301086093.db2.gz UIIYKTWOYYBDBJ-XWTMOSNGSA-N 0 0 338.363 2.993 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000855778147 1301104595 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EFBERN Cc1cc(N2CC(c3nc(-c4ccccc4)no3)C2)ncc1[N+](=O)[O-] ZINC001164200930 1312466304 /nfs/dbraw/zinc/46/63/04/1312466304.db2.gz LCPLZKMIQLGTLH-UHFFFAOYSA-N 0 0 337.339 2.952 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H]2c3ccccc3CC[C@H]2O)c([N+](=O)[O-])c1 ZINC001164221473 1312471789 /nfs/dbraw/zinc/47/17/89/1312471789.db2.gz ZONSUBJDMMWMKB-CVEARBPZSA-N 0 0 329.312 2.963 10 5 EFBERN C[C@@H](Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[nH]1 ZINC001164226498 1312472882 /nfs/dbraw/zinc/47/28/82/1312472882.db2.gz RXIYFAFOEKSFNS-RXMQYKEDSA-N 0 0 346.225 2.813 10 5 EFBERN C[C@H](NCc1nc(CN(C)C)cs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903218692 1312472946 /nfs/dbraw/zinc/47/29/46/1312472946.db2.gz BPYOEDMXVCHIJL-JTQLQIEISA-N 0 0 335.433 2.546 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@H]2CC[C@H](C3CC3)O2)c1[N+](=O)[O-] ZINC001164261519 1312481030 /nfs/dbraw/zinc/48/10/30/1312481030.db2.gz TUICGRLTDILVSX-DGCLKSJQSA-N 0 0 335.360 2.536 10 5 EFBERN CCOc1cc(N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164264876 1312481515 /nfs/dbraw/zinc/48/15/15/1312481515.db2.gz JYZVCRZJNDIGRM-WVWOOGAGSA-N 0 0 334.372 2.993 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1(C(F)(F)F)CC1 ZINC000903248470 1312500486 /nfs/dbraw/zinc/50/04/86/1312500486.db2.gz PICZRZVFALBYTC-UHFFFAOYSA-N 0 0 338.307 2.619 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CO)c3cc(F)ccc3F)nc2c1 ZINC001164364979 1312501133 /nfs/dbraw/zinc/50/11/33/1312501133.db2.gz TWGNUWLCBIODBQ-AWEZNQCLSA-N 0 0 334.282 2.895 10 5 EFBERN Cc1cc(C)c2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1N)CCO2 ZINC001164516271 1312531019 /nfs/dbraw/zinc/53/10/19/1312531019.db2.gz PEEANZVFQBXQGT-UHFFFAOYSA-N 0 0 327.340 2.833 10 5 EFBERN O=Cc1ccc(OCC(=O)OC[C@H]2Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000803346600 1312535902 /nfs/dbraw/zinc/53/59/02/1312535902.db2.gz YLHTUTQTCZBCRN-CQSZACIVSA-N 0 0 341.319 2.669 10 5 EFBERN Cc1occc1-c1nnc(SCc2cccnc2[N+](=O)[O-])n1C ZINC001164647556 1312554895 /nfs/dbraw/zinc/55/48/95/1312554895.db2.gz RCMPJCGLVXIIMG-UHFFFAOYSA-N 0 0 331.357 2.979 10 5 EFBERN CC(C)n1cc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001277579923 1312579196 /nfs/dbraw/zinc/57/91/96/1312579196.db2.gz ZAJHYFPCPGGXBN-UHFFFAOYSA-N 0 0 341.327 2.777 10 5 EFBERN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000803391982 1312579780 /nfs/dbraw/zinc/57/97/80/1312579780.db2.gz BDDSTURZYGGTMK-UHFFFAOYSA-N 0 0 339.210 2.533 10 5 EFBERN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cnn2c1CCCC2 ZINC000803403755 1312590903 /nfs/dbraw/zinc/59/09/03/1312590903.db2.gz VCYCFPKYPOHWPD-UHFFFAOYSA-N 0 0 337.282 2.763 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000803408238 1312594016 /nfs/dbraw/zinc/59/40/16/1312594016.db2.gz ARTBYVZNXVQSNQ-UHFFFAOYSA-N 0 0 344.327 2.521 10 5 EFBERN COC(=O)c1cnoc1COC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000803433722 1312625129 /nfs/dbraw/zinc/62/51/29/1312625129.db2.gz YUVGOSDHHFYGPQ-JXMROGBWSA-N 0 0 346.295 2.516 10 5 EFBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001277618139 1312631198 /nfs/dbraw/zinc/63/11/98/1312631198.db2.gz YAKUBMMMNKTIHE-LLVKDONJSA-N 0 0 346.314 2.596 10 5 EFBERN Cn1cc(CSc2nc3cc(F)c(F)cc3[nH]2)c([N+](=O)[O-])n1 ZINC001165488542 1312636771 /nfs/dbraw/zinc/63/67/71/1312636771.db2.gz UAQLMFULSVRFKG-UHFFFAOYSA-N 0 0 325.300 2.775 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NN1CCc2ccccc2C1 ZINC001165595355 1312650936 /nfs/dbraw/zinc/65/09/36/1312650936.db2.gz PQRKZBMAJHAADY-UHFFFAOYSA-N 0 0 343.408 2.776 10 5 EFBERN CCOC(=O)c1c(C)ccnc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC001165594376 1312651080 /nfs/dbraw/zinc/65/10/80/1312651080.db2.gz XTUMQIIQWYORTE-UHFFFAOYSA-N 0 0 344.323 2.866 10 5 EFBERN COc1ccc(OC)c(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001165626887 1312654501 /nfs/dbraw/zinc/65/45/01/1312654501.db2.gz SDPXAYRPQVVGFL-UHFFFAOYSA-N 0 0 340.339 2.919 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000749122307 1314823562 /nfs/dbraw/zinc/82/35/62/1314823562.db2.gz LVRUCEBHOCWRHQ-KBPBESRZSA-N 0 0 347.415 2.550 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000749124962 1314857436 /nfs/dbraw/zinc/85/74/36/1314857436.db2.gz YICQPKPLMHHYJP-CHWSQXEVSA-N 0 0 336.363 2.931 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001248709012 1314955578 /nfs/dbraw/zinc/95/55/78/1314955578.db2.gz CTYGIOCSKATDPX-GUYJKWIASA-N 0 0 332.404 2.598 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnc3ccccn23)cc1[N+](=O)[O-] ZINC001278530098 1315124943 /nfs/dbraw/zinc/12/49/43/1315124943.db2.gz DROLRAIDDVDKRS-UHFFFAOYSA-N 0 0 341.283 2.711 10 5 EFBERN CCC[C@@H](CCO)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001251304749 1315339698 /nfs/dbraw/zinc/33/96/98/1315339698.db2.gz KXMSOJXVIITKKR-KGLIPLIRSA-N 0 0 337.420 2.796 10 5 EFBERN C[C@H](CNC(=O)NCC[C@@H](O)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001251305876 1315339771 /nfs/dbraw/zinc/33/97/71/1315339771.db2.gz YQRSPFIGPOGGCG-CXAGYDPISA-N 0 0 349.431 2.939 10 5 EFBERN CCC[C@@H](CCO)CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001251304748 1315339814 /nfs/dbraw/zinc/33/98/14/1315339814.db2.gz KXMSOJXVIITKKR-KBPBESRZSA-N 0 0 337.420 2.796 10 5 EFBERN C[C@H]1C(=O)N(C)CN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000826798317 1315534460 /nfs/dbraw/zinc/53/44/60/1315534460.db2.gz UNGFTQYWRUAEPE-LURJTMIESA-N 0 0 337.685 2.891 10 5 EFBERN O=C(Cc1cnn2ccccc12)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001278731539 1315616800 /nfs/dbraw/zinc/61/68/00/1315616800.db2.gz XIFOMVDXEXIDCM-UHFFFAOYSA-N 0 0 347.334 2.972 10 5 EFBERN C[C@H](Oc1ccccn1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001278730378 1315620030 /nfs/dbraw/zinc/62/00/30/1315620030.db2.gz KXEJJSOEVTUKNW-NSHDSACASA-N 0 0 338.323 2.944 10 5 EFBERN C[C@@H](Oc1ccccn1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001278730376 1315620137 /nfs/dbraw/zinc/62/01/37/1315620137.db2.gz KXEJJSOEVTUKNW-LLVKDONJSA-N 0 0 338.323 2.944 10 5 EFBERN CCO[C@@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCOC1 ZINC001278736001 1315627003 /nfs/dbraw/zinc/62/70/03/1315627003.db2.gz NQWBTWMLCTVOSW-IAQYHMDHSA-N 0 0 345.355 2.523 10 5 EFBERN Cc1ccc(OC(=O)c2nn(C)cc2[N+](=O)[O-])c2c1[C@@H](C)CC2=O ZINC001254352597 1315697006 /nfs/dbraw/zinc/69/70/06/1315697006.db2.gz XKCUGNHWRPAMBZ-VIFPVBQESA-N 0 0 329.312 2.546 10 5 EFBERN CCCC1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001254471905 1315707364 /nfs/dbraw/zinc/70/73/64/1315707364.db2.gz UMMJDOFCAWPPAT-UHFFFAOYSA-N 0 0 347.415 2.672 10 5 EFBERN CCOc1cc(NC(=O)[C@H](C)Oc2cccnc2)ccc1[N+](=O)[O-] ZINC001278804637 1315742518 /nfs/dbraw/zinc/74/25/18/1315742518.db2.gz ACDKSPDVYXZHLG-NSHDSACASA-N 0 0 331.328 2.795 10 5 EFBERN C[C@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001255320365 1315803263 /nfs/dbraw/zinc/80/32/63/1315803263.db2.gz GMAGKTKNRZRZKU-ZBEGNZNMSA-N 0 0 347.346 2.828 10 5 EFBERN O=C(c1cnn2ncccc12)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001278875530 1315850288 /nfs/dbraw/zinc/85/02/88/1315850288.db2.gz RVLUCBMRMPQSTI-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN CO[C@H](C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001278896850 1315881674 /nfs/dbraw/zinc/88/16/74/1315881674.db2.gz NGVSKOTXQKDBIA-AWEZNQCLSA-N 0 0 332.268 2.796 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)CCCC1CCOCC1 ZINC000827463871 1315986248 /nfs/dbraw/zinc/98/62/48/1315986248.db2.gz JUJYBNUBUFOEGK-UHFFFAOYSA-N 0 0 347.364 2.649 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC001278987386 1316024046 /nfs/dbraw/zinc/02/40/46/1316024046.db2.gz AJNYTALSOKNYAO-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CC(F)F ZINC000827881719 1316025623 /nfs/dbraw/zinc/02/56/23/1316025623.db2.gz JVLFMCRAZFTJNZ-ZETCQYMHSA-N 0 0 340.323 2.612 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc(-c2ccc(-n3cnnn3)cc2)o1 ZINC001257840361 1316096562 /nfs/dbraw/zinc/09/65/62/1316096562.db2.gz SGFKNKOOGVYNHG-UHFFFAOYSA-N 0 0 349.310 2.596 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccn2Cc2nnc(Cc3ccccn3)o2)c1 ZINC001257958488 1316105765 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/nfs/dbraw/zinc/74/40/47/1321744047.db2.gz FOAYQRYSLFZYOX-UHFFFAOYSA-N 0 0 331.328 2.789 10 5 EFBERN CCOC(=O)[C@@H](CCCC(C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001288718306 1321744723 /nfs/dbraw/zinc/74/47/23/1321744723.db2.gz SEPQDJPHDDZKGQ-LLVKDONJSA-N 0 0 326.349 2.676 10 5 EFBERN O=C(Nc1ccccc1-n1nccn1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001288783032 1321759241 /nfs/dbraw/zinc/75/92/41/1321759241.db2.gz MBXQHPNCPWZNBZ-HUUCEWRRSA-N 0 0 349.350 2.918 10 5 EFBERN COC(=O)/C=C/c1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001288790922 1321760562 /nfs/dbraw/zinc/76/05/62/1321760562.db2.gz GGJWFIUPGUNFIV-UQSGXBNBSA-N 0 0 344.323 2.865 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001288803982 1321764246 /nfs/dbraw/zinc/76/42/46/1321764246.db2.gz QNWKEICECHHFPO-QFBILLFUSA-N 0 0 338.363 2.635 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1SC ZINC001289008982 1321798585 /nfs/dbraw/zinc/79/85/85/1321798585.db2.gz IFMSBOXKDQPIBV-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N=[S@@](C)(=O)c1cccc(F)c1 ZINC001289028860 1321798657 /nfs/dbraw/zinc/79/86/57/1321798657.db2.gz IHWVYBRTGIAAME-QHCPKHFHSA-N 0 0 337.332 2.734 10 5 EFBERN O=C(Nc1cnn(C2CCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001289051408 1321798970 /nfs/dbraw/zinc/79/89/70/1321798970.db2.gz ZOTDTWWTBQSKDG-UHFFFAOYSA-N 0 0 344.327 2.887 10 5 EFBERN O=C(Nc1n[nH]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001289106134 1321799635 /nfs/dbraw/zinc/79/96/35/1321799635.db2.gz GKTZBQZUILCWRF-VXGBXAGGSA-N 0 0 339.311 2.715 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3cccc4cccc2c43)n1 ZINC001289111119 1321800618 /nfs/dbraw/zinc/80/06/18/1321800618.db2.gz TXDHYKGPWRTITF-AWEZNQCLSA-N 0 0 336.351 2.899 10 5 EFBERN Cc1nc2cc(NC(=O)Cn3c(C)ncc3[N+](=O)[O-])ccc2s1 ZINC001289154775 1321801308 /nfs/dbraw/zinc/80/13/08/1321801308.db2.gz LBHWJMQQPUHSOF-UHFFFAOYSA-N 0 0 331.357 2.657 10 5 EFBERN Cc1c(C(=O)Nc2cnn(C3CCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001289261442 1321810350 /nfs/dbraw/zinc/81/03/50/1321810350.db2.gz PBFPONWYNDPHHZ-UHFFFAOYSA-N 0 0 345.315 2.985 10 5 EFBERN C[C@H](CC(N)=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001289313672 1321812254 /nfs/dbraw/zinc/81/22/54/1321812254.db2.gz QMZTYJGOMQINOC-SECBINFHSA-N 0 0 333.369 2.888 10 5 EFBERN C[C@@H](CC(N)=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001289312941 1321812704 /nfs/dbraw/zinc/81/27/04/1321812704.db2.gz DNVPKNDBQPJINX-LBPRGKRZSA-N 0 0 341.367 2.755 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCn2nc(C3CC3)cc2C1 ZINC001289457399 1321818240 /nfs/dbraw/zinc/81/82/40/1321818240.db2.gz DPSOTDIYAQQXDY-UHFFFAOYSA-N 0 0 344.346 2.772 10 5 EFBERN C[S@@](=O)(=NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001289706447 1321824172 /nfs/dbraw/zinc/82/41/72/1321824172.db2.gz GFZKXHFGSLVILA-QHCPKHFHSA-N 0 0 336.344 2.960 10 5 EFBERN COc1cccc(C(=O)NC[C@H]2OCc3ccccc32)c1[N+](=O)[O-] ZINC001289794523 1321828247 /nfs/dbraw/zinc/82/82/47/1321828247.db2.gz RSMMKCJMHPWGHA-OAHLLOKOSA-N 0 0 328.324 2.605 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1cnc2n1CCOC2 ZINC001289839070 1321830021 /nfs/dbraw/zinc/83/00/21/1321830021.db2.gz CADXRHMKLKYNLP-UHFFFAOYSA-N 0 0 338.323 2.727 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001289876049 1321833121 /nfs/dbraw/zinc/83/31/21/1321833121.db2.gz WSQOFEVSXLTMNU-CORIIIEPSA-N 0 0 334.372 2.546 10 5 EFBERN CN(Cc1ccc(Cl)cc1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001290101659 1321877827 /nfs/dbraw/zinc/87/78/27/1321877827.db2.gz NPNZFAMIMQGCBW-UHFFFAOYSA-N 0 0 329.143 2.897 10 5 EFBERN Cc1ccccc1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001290155004 1321881360 /nfs/dbraw/zinc/88/13/60/1321881360.db2.gz JTLVVGZBILJTFO-UHFFFAOYSA-N 0 0 328.328 2.663 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1F ZINC001290274982 1321894197 /nfs/dbraw/zinc/89/41/97/1321894197.db2.gz JFMPGMTYEOICBZ-UHFFFAOYSA-N 0 0 338.726 2.624 10 5 EFBERN CC(=O)Nc1ccc(OC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001290330316 1321898736 /nfs/dbraw/zinc/89/87/36/1321898736.db2.gz LNPXJJIWRIQNIS-UHFFFAOYSA-N 0 0 332.287 2.840 10 5 EFBERN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001290334784 1321899193 /nfs/dbraw/zinc/89/91/93/1321899193.db2.gz OPYSTFYGARPAPN-STQMWFEESA-N 0 0 338.323 2.919 10 5 EFBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc2sccc2c1 ZINC001290419681 1321912361 /nfs/dbraw/zinc/91/23/61/1321912361.db2.gz FSKCIHAZWKXBBA-UHFFFAOYSA-N 0 0 329.337 2.610 10 5 EFBERN Nc1ncc(C(=O)NCCc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC001290789319 1321961846 /nfs/dbraw/zinc/96/18/46/1321961846.db2.gz SHBQWBMAQDUILV-UHFFFAOYSA-N 0 0 336.351 2.698 10 5 EFBERN C[C@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCOCC1 ZINC001291037886 1321975568 /nfs/dbraw/zinc/97/55/68/1321975568.db2.gz JAANIFHOGWRKGY-SWLSCSKDSA-N 0 0 343.387 2.661 10 5 EFBERN C[C@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742733 1322004728 /nfs/dbraw/zinc/00/47/28/1322004728.db2.gz RZDQWDWKLSRTOO-ZBEGNZNMSA-N 0 0 343.387 2.576 10 5 EFBERN C[C@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742678 1322004926 /nfs/dbraw/zinc/00/49/26/1322004926.db2.gz RZDQWDWKLSRTOO-MEDUHNTESA-N 0 0 343.387 2.576 10 5 EFBERN C[C@H]1CCC[C@](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])([NH+](C)C)C1 ZINC001291945429 1322024623 /nfs/dbraw/zinc/02/46/23/1322024623.db2.gz FBGPYHFJFXXZEW-SJCJKPOMSA-N 0 0 335.404 2.541 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cncc(C=O)c1 ZINC001292083338 1322035997 /nfs/dbraw/zinc/03/59/97/1322035997.db2.gz LTFVGQZAUGVAFP-UHFFFAOYSA-N 0 0 327.340 2.853 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncnc2[nH]ccc21 ZINC001292081143 1322036554 /nfs/dbraw/zinc/03/65/54/1322036554.db2.gz BPOYIKHFOGFHDJ-UHFFFAOYSA-N 0 0 339.355 2.869 10 5 EFBERN Cc1noc(C)c1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001292167763 1322040679 /nfs/dbraw/zinc/04/06/79/1322040679.db2.gz NYDFHNDMVHVZTH-UHFFFAOYSA-N 0 0 328.687 2.827 10 5 EFBERN O=C(NCCN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1Cl ZINC001292453879 1322076466 /nfs/dbraw/zinc/07/64/66/1322076466.db2.gz DHMHMQDSOMPDOZ-UHFFFAOYSA-N 0 0 345.786 2.994 10 5 EFBERN Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001292781987 1322120691 /nfs/dbraw/zinc/12/06/91/1322120691.db2.gz PFKOLGDCWZGJRO-SECBINFHSA-N 0 0 336.779 2.710 10 5 EFBERN CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001292810937 1322125984 /nfs/dbraw/zinc/12/59/84/1322125984.db2.gz ZIWSLRHLOPNKBW-UHFFFAOYSA-N 0 0 335.404 2.637 10 5 EFBERN Cc1ccccc1-n1nccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293401195 1322245041 /nfs/dbraw/zinc/24/50/41/1322245041.db2.gz VXKUDQVEOBAJQC-UHFFFAOYSA-N 0 0 346.734 2.718 10 5 EFBERN CC[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001293471881 1322262094 /nfs/dbraw/zinc/26/20/94/1322262094.db2.gz LISQZXKLCPMAQO-LBPRGKRZSA-N 0 0 329.356 2.923 10 5 EFBERN CCc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n(C)n1 ZINC001293500816 1322270117 /nfs/dbraw/zinc/27/01/17/1322270117.db2.gz MTMNQDWPKBMTBJ-UHFFFAOYSA-N 0 0 340.343 2.533 10 5 EFBERN Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2F)nc2cc(F)ccc21 ZINC001293661232 1322313207 /nfs/dbraw/zinc/31/32/07/1322313207.db2.gz RTWHFVLPNZEQJJ-UHFFFAOYSA-N 0 0 346.293 2.690 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(N3CC=CC3)c2)n1 ZINC001293780325 1322352116 /nfs/dbraw/zinc/35/21/16/1322352116.db2.gz AVFCAJXTIWFAJE-UHFFFAOYSA-N 0 0 338.367 2.604 10 5 EFBERN CCC[C@](C)(O)Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001293802409 1322358285 /nfs/dbraw/zinc/35/82/85/1322358285.db2.gz PVURLPXHWMBOHN-KRWDZBQOSA-N 0 0 347.419 2.682 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2nc3ccccc3n2C)n1 ZINC001293907008 1322377938 /nfs/dbraw/zinc/37/79/38/1322377938.db2.gz GXJSIFOTMLOTHB-LLVKDONJSA-N 0 0 339.355 2.676 10 5 EFBERN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC001293936479 1322382760 /nfs/dbraw/zinc/38/27/60/1322382760.db2.gz AFNKRPWMMPIVAZ-TXEJJXNPSA-N 0 0 329.356 2.636 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cnc([C@H](C)O)s2)cc1[N+](=O)[O-] ZINC001294093906 1322407412 /nfs/dbraw/zinc/40/74/12/1322407412.db2.gz FCCQNMJVPBRIQR-UWVGGRQHSA-N 0 0 335.385 2.904 10 5 EFBERN O=C(c1ncoc1C(F)(F)F)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001294210587 1322431521 /nfs/dbraw/zinc/43/15/21/1322431521.db2.gz KMBHVYILUUQEGL-UHFFFAOYSA-N 0 0 327.218 2.758 10 5 EFBERN CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCOC1 ZINC001294261026 1322440992 /nfs/dbraw/zinc/44/09/92/1322440992.db2.gz REWJUIOFAGZRAA-OAHLLOKOSA-N 0 0 345.403 2.879 10 5 EFBERN CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCOC1 ZINC001294261025 1322441088 /nfs/dbraw/zinc/44/10/88/1322441088.db2.gz REWJUIOFAGZRAA-HNNXBMFYSA-N 0 0 345.403 2.879 10 5 EFBERN CC1(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC001294281433 1322445173 /nfs/dbraw/zinc/44/51/73/1322445173.db2.gz ACWBCSLVALACSN-UHFFFAOYSA-N 0 0 329.356 2.828 10 5 EFBERN Nc1ncc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1[N+](=O)[O-] ZINC001294388134 1322470976 /nfs/dbraw/zinc/47/09/76/1322470976.db2.gz XFPPPWJQJCDJAS-UHFFFAOYSA-N 0 0 330.348 2.595 10 5 EFBERN CC[C@@H](NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)c1noc(C)n1 ZINC001294447306 1322484220 /nfs/dbraw/zinc/48/42/20/1322484220.db2.gz RMARJYGOAIYORC-MRVPVSSYSA-N 0 0 340.286 2.754 10 5 EFBERN CCCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC1 ZINC001294479805 1322491889 /nfs/dbraw/zinc/49/18/89/1322491889.db2.gz LGOVIQOMHYLUTP-UHFFFAOYSA-N 0 0 345.403 2.615 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC001294664251 1322542007 /nfs/dbraw/zinc/54/20/07/1322542007.db2.gz HVIUPHXXZSMTBT-LBPRGKRZSA-N 0 0 343.339 2.597 10 5 EFBERN Cc1[nH]c(C=O)cc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001294686883 1322542383 /nfs/dbraw/zinc/54/23/83/1322542383.db2.gz MFXLYMVDARYWCP-UHFFFAOYSA-N 0 0 327.340 2.849 10 5 EFBERN CCCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC001294931174 1322601908 /nfs/dbraw/zinc/60/19/08/1322601908.db2.gz BUCDXVIFILTADS-UHFFFAOYSA-N 0 0 338.429 2.989 10 5 EFBERN O=C(NC[C@H](CO)c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001294976977 1322613547 /nfs/dbraw/zinc/61/35/47/1322613547.db2.gz OKIMRIDCZJLLPR-GFCCVEGCSA-N 0 0 334.759 2.754 10 5 EFBERN CC[C@H](C[C@@H](C)CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001295014604 1322618817 /nfs/dbraw/zinc/61/88/17/1322618817.db2.gz ZDTDOEYVXHNXSH-ZYHUDNBSSA-N 0 0 328.796 2.704 10 5 EFBERN CC1=Nc2ccccc2C12CCN(c1ncc([N+](=O)[O-])c(N)n1)CC2 ZINC001307191477 1322684207 /nfs/dbraw/zinc/68/42/07/1322684207.db2.gz KUJMPBLTSVNSGC-UHFFFAOYSA-N 0 0 338.371 2.611 10 5 EFBERN O=C(c1ccnc2[nH]cnc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001295350255 1322686399 /nfs/dbraw/zinc/68/63/99/1322686399.db2.gz BKSBCQQYRDUERY-UHFFFAOYSA-N 0 0 337.339 2.671 10 5 EFBERN COc1cccc(C(=O)NCCc2ccc(C(C)=O)cc2)c1[N+](=O)[O-] ZINC001295526241 1322717949 /nfs/dbraw/zinc/71/79/49/1322717949.db2.gz MMJVANGJTZCVGA-UHFFFAOYSA-N 0 0 342.351 2.779 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(Cc3cccnc3)CC2)n1 ZINC001295695623 1322752818 /nfs/dbraw/zinc/75/28/18/1322752818.db2.gz IXAUAYDMHGHTCE-UHFFFAOYSA-N 0 0 340.383 2.788 10 5 EFBERN CCC(CC)[C@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCO1 ZINC001295762593 1322770877 /nfs/dbraw/zinc/77/08/77/1322770877.db2.gz HNEQHSKYUGWJFW-NXEZZACHSA-N 0 0 344.799 2.685 10 5 EFBERN Nc1c(Cl)cc(F)cc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001295918687 1322805503 /nfs/dbraw/zinc/80/55/03/1322805503.db2.gz NNQWLGNTPYIXAH-UHFFFAOYSA-N 0 0 337.738 2.942 10 5 EFBERN Cc1cncc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC001319987078 1329050363 /nfs/dbraw/zinc/05/03/63/1329050363.db2.gz VGMFRBYMHDTIRB-UHFFFAOYSA-N 0 0 334.715 2.991 10 5 EFBERN CC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC001295942143 1322813558 /nfs/dbraw/zinc/81/35/58/1322813558.db2.gz UNPTXZGUTPLCAQ-JQWIXIFHSA-N 0 0 327.768 2.518 10 5 EFBERN CNc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC001295987904 1322836593 /nfs/dbraw/zinc/83/65/93/1322836593.db2.gz FLNZPUWWIVDGJP-UHFFFAOYSA-N 0 0 329.291 2.904 10 5 EFBERN CC(C)c1nnc([C@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC001295997889 1322837495 /nfs/dbraw/zinc/83/74/95/1322837495.db2.gz ATXNFHJRJVEQHT-QMMMGPOBSA-N 0 0 337.767 2.981 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2c[nH]cn2)nc1-c1ccccc1 ZINC001307208768 1322857254 /nfs/dbraw/zinc/85/72/54/1322857254.db2.gz QLQBFDCWNPJTJA-CQSZACIVSA-N 0 0 325.328 2.525 10 5 EFBERN COC(=O)[C@@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001296224573 1322869567 /nfs/dbraw/zinc/86/95/67/1322869567.db2.gz XBVLQJGYBBRTKE-ZDUSSCGKSA-N 0 0 338.335 2.600 10 5 EFBERN CC(C)[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)O ZINC001296403538 1322904605 /nfs/dbraw/zinc/90/46/05/1322904605.db2.gz MXZOJKNUIVGPAO-AWEZNQCLSA-N 0 0 328.796 2.702 10 5 EFBERN CCCCCCOCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001296445514 1322916679 /nfs/dbraw/zinc/91/66/79/1322916679.db2.gz RYKNXEIXHCXEGI-UHFFFAOYSA-N 0 0 336.388 2.781 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2ccc(F)nc2Br)nc1 ZINC001307219158 1323038953 /nfs/dbraw/zinc/03/89/53/1323038953.db2.gz LFOFFCCOQTUQPA-UHFFFAOYSA-N 0 0 327.113 2.899 10 5 EFBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)n[nH]1 ZINC001307219774 1323044864 /nfs/dbraw/zinc/04/48/64/1323044864.db2.gz TYOPLELGLCIVCG-SCSAIBSYSA-N 0 0 336.661 2.953 10 5 EFBERN O=C(N[C@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC001296892712 1323049532 /nfs/dbraw/zinc/04/95/32/1323049532.db2.gz QWXJJKJPCWZOMZ-NSHDSACASA-N 0 0 326.780 2.919 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C(F)F)o1 ZINC001297105892 1323089390 /nfs/dbraw/zinc/08/93/90/1323089390.db2.gz NSBZOWFBIZIYCH-UHFFFAOYSA-N 0 0 336.254 2.932 10 5 EFBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001297187773 1323114438 /nfs/dbraw/zinc/11/44/38/1323114438.db2.gz FEKDHLFIOSJUIM-AULYBMBSSA-N 0 0 326.356 2.556 10 5 EFBERN COc1cc(CCO)ccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001297229115 1323128860 /nfs/dbraw/zinc/12/88/60/1323128860.db2.gz MTGZQOAMWJVIKR-UHFFFAOYSA-N 0 0 348.330 2.838 10 5 EFBERN CSc1ccccc1CN(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001297309703 1323158916 /nfs/dbraw/zinc/15/89/16/1323158916.db2.gz BKWJLXSWKOEISY-UHFFFAOYSA-N 0 0 340.792 2.965 10 5 EFBERN COc1nc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)co1 ZINC001297321005 1323167301 /nfs/dbraw/zinc/16/73/01/1323167301.db2.gz DLDUUJJHBVGHRI-UHFFFAOYSA-N 0 0 345.233 2.540 10 5 EFBERN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC001297450237 1323221710 /nfs/dbraw/zinc/22/17/10/1323221710.db2.gz DSKLJZORHJUYNA-IUCAKERBSA-N 0 0 335.339 2.857 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(CO)c1 ZINC001298191387 1323454027 /nfs/dbraw/zinc/45/40/27/1323454027.db2.gz KKNUHSPZVXHBAC-UHFFFAOYSA-N 0 0 330.344 2.555 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(N)=O)s1 ZINC001298191348 1323454283 /nfs/dbraw/zinc/45/42/83/1323454283.db2.gz IUQKXAUVMHLPMZ-UHFFFAOYSA-N 0 0 348.384 2.828 10 5 EFBERN O=C(Nn1ccnn1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001298236791 1323468373 /nfs/dbraw/zinc/46/83/73/1323468373.db2.gz BSHUXQKKUQVSHE-UHFFFAOYSA-N 0 0 347.400 2.853 10 5 EFBERN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001298249279 1323472649 /nfs/dbraw/zinc/47/26/49/1323472649.db2.gz RWCMDCIBDUYOSB-ZETCQYMHSA-N 0 0 348.750 2.681 10 5 EFBERN O=C(N[C@H](CO)c1ccccn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001298487213 1323547339 /nfs/dbraw/zinc/54/73/39/1323547339.db2.gz UXCSLRKHJLJEPK-CYBMUJFWSA-N 0 0 343.364 2.668 10 5 EFBERN Cc1cc([C@@H](C)NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC001298686128 1323588733 /nfs/dbraw/zinc/58/87/33/1323588733.db2.gz IBLNOZQHRCDOHF-BZNIZROVSA-N 0 0 332.331 2.953 10 5 EFBERN CC(C)[C@]1(CO)CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001298715644 1323594777 /nfs/dbraw/zinc/59/47/77/1323594777.db2.gz XXVQGXDIMXOSKB-MRXNPFEDSA-N 0 0 340.807 2.658 10 5 EFBERN CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1O ZINC001298749170 1323601622 /nfs/dbraw/zinc/60/16/22/1323601622.db2.gz RCRXTACIEDDBQG-UHFFFAOYSA-N 0 0 344.323 2.829 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1n[nH]cc1Br ZINC001298809072 1323614001 /nfs/dbraw/zinc/61/40/01/1323614001.db2.gz JHRNCUJBHXKCEJ-UHFFFAOYSA-N 0 0 339.149 2.950 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001298809687 1323614228 /nfs/dbraw/zinc/61/42/28/1323614228.db2.gz SLMNPTUSERWQMT-UHFFFAOYSA-N 0 0 328.328 2.837 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1[nH]nc2c1CCCC2 ZINC001298825161 1323617106 /nfs/dbraw/zinc/61/71/06/1323617106.db2.gz SVTFDMDOHRYBIE-UHFFFAOYSA-N 0 0 344.371 2.777 10 5 EFBERN C[C@H]1Oc2ccccc2[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001298830986 1323617772 /nfs/dbraw/zinc/61/77/72/1323617772.db2.gz IPJVEWQGTJQTQD-HWPZZCPQSA-N 0 0 330.315 2.915 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc2[nH]c(C)nc21 ZINC001298829754 1323617882 /nfs/dbraw/zinc/61/78/82/1323617882.db2.gz IZOBYTWTZDNXDI-UHFFFAOYSA-N 0 0 341.327 2.826 10 5 EFBERN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001298875455 1323627095 /nfs/dbraw/zinc/62/70/95/1323627095.db2.gz KGPXYKUCPIPAAT-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN Cc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001298874687 1323627535 /nfs/dbraw/zinc/62/75/35/1323627535.db2.gz BPMGKSVXBWSBIU-MRXNPFEDSA-N 0 0 340.339 2.617 10 5 EFBERN Cc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)ccc1-n1cccn1 ZINC001298876307 1323627682 /nfs/dbraw/zinc/62/76/82/1323627682.db2.gz UIOXLIOAZHTDIB-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001298997141 1323660614 /nfs/dbraw/zinc/66/06/14/1323660614.db2.gz VHUSOVWRIWHHBK-SNVBAGLBSA-N 0 0 331.376 2.614 10 5 EFBERN Cc1nc(-c2ccnc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])c2)n[nH]1 ZINC001299003379 1323662063 /nfs/dbraw/zinc/66/20/63/1323662063.db2.gz VKKWZFFRSGDDFK-UHFFFAOYSA-N 0 0 338.327 2.644 10 5 EFBERN COc1ccccc1C1(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC001299799504 1323707507 /nfs/dbraw/zinc/70/75/07/1323707507.db2.gz PVMHABVESFHMGO-UHFFFAOYSA-N 0 0 327.340 2.605 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@](C)(O)c1ccccc1 ZINC001299859228 1323709693 /nfs/dbraw/zinc/70/96/93/1323709693.db2.gz VHDDWQIWIOUYIA-QGZVFWFLSA-N 0 0 329.356 2.873 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)ncn2C ZINC001299858313 1323709709 /nfs/dbraw/zinc/70/97/09/1323709709.db2.gz CDKLFGBECCYSCJ-UHFFFAOYSA-N 0 0 325.328 2.776 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(F)c(F)c1 ZINC001299862762 1323710963 /nfs/dbraw/zinc/71/09/63/1323710963.db2.gz UWGBAEPVEBGEMB-UHFFFAOYSA-N 0 0 337.282 2.932 10 5 EFBERN C[C@@H](C(=O)NCc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001299868437 1323711046 /nfs/dbraw/zinc/71/10/46/1323711046.db2.gz FFDGIUACBQPJRS-LLVKDONJSA-N 0 0 332.331 2.646 10 5 EFBERN O=C(CCc1cncs1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933466 1323713418 /nfs/dbraw/zinc/71/34/18/1323713418.db2.gz PXOKQIRABCFDFD-UHFFFAOYSA-N 0 0 327.312 2.579 10 5 EFBERN COC(=O)c1ccc(OC(=O)C2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001320510996 1329149236 /nfs/dbraw/zinc/14/92/36/1329149236.db2.gz XEKZEMPYMGDENN-UHFFFAOYSA-N 0 0 333.218 2.629 10 5 EFBERN CC1(C)C[C@]1(C)NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001301266710 1324533079 /nfs/dbraw/zinc/53/30/79/1324533079.db2.gz ZLEXZNNKWFNHQD-ZDUSSCGKSA-N 0 0 342.193 2.858 10 5 EFBERN COCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001301551302 1324548711 /nfs/dbraw/zinc/54/87/11/1324548711.db2.gz AQUMDVSXRIVFQV-UHFFFAOYSA-N 0 0 345.403 2.880 10 5 EFBERN CCOc1ccc(C(=O)NOCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC001301636139 1324553681 /nfs/dbraw/zinc/55/36/81/1324553681.db2.gz VVBMGPUBVJZMGS-UHFFFAOYSA-N 0 0 331.328 2.559 10 5 EFBERN Cc1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c(C)nn1 ZINC001301917541 1324565009 /nfs/dbraw/zinc/56/50/09/1324565009.db2.gz FEADDGJBXLBVRT-UHFFFAOYSA-N 0 0 338.726 2.724 10 5 EFBERN Cc1c(F)cccc1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302424803 1324577913 /nfs/dbraw/zinc/57/79/13/1324577913.db2.gz MHBSYXCLLYLSLB-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN Cc1cncc([C@H]2CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001302697148 1324584301 /nfs/dbraw/zinc/58/43/01/1324584301.db2.gz ITQVTYSLDLBINJ-OAHLLOKOSA-N 0 0 326.356 2.858 10 5 EFBERN COc1nscc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001303232372 1324599042 /nfs/dbraw/zinc/59/90/42/1324599042.db2.gz QVOZHMXWDVXRBX-UHFFFAOYSA-N 0 0 338.301 2.529 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001303288405 1324600741 /nfs/dbraw/zinc/60/07/41/1324600741.db2.gz WZOKDPTVYBIPDA-XUJVJEKNSA-N 0 0 338.791 2.865 10 5 EFBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](O)c1ccccc1 ZINC001303376699 1324604497 /nfs/dbraw/zinc/60/44/97/1324604497.db2.gz BBZGQAVGBDRDQR-RDJZCZTQSA-N 0 0 344.367 2.845 10 5 EFBERN C[C@@H](NC(=O)CNC(=O)CCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001303498334 1324608782 /nfs/dbraw/zinc/60/87/82/1324608782.db2.gz RZLBFMJMOHNSFL-CYBMUJFWSA-N 0 0 347.415 2.859 10 5 EFBERN CNc1ccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)cc1[N+](=O)[O-] ZINC001303553995 1324611213 /nfs/dbraw/zinc/61/12/13/1324611213.db2.gz VUYIWIKMQODBRL-WBMJQRKESA-N 0 0 345.330 2.838 10 5 EFBERN CNc1ccc(C(=O)NCc2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001303563741 1324612480 /nfs/dbraw/zinc/61/24/80/1324612480.db2.gz XZZZELGHVUHIIC-UHFFFAOYSA-N 0 0 343.368 2.571 10 5 EFBERN O=C(NCc1cc(C(F)F)on1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001303703710 1324618043 /nfs/dbraw/zinc/61/80/43/1324618043.db2.gz AEMRCPNHSUGITB-UHFFFAOYSA-N 0 0 336.254 2.932 10 5 EFBERN Cc1cccc(C(=O)NC[C@@](C)(O)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001303813604 1324621230 /nfs/dbraw/zinc/62/12/30/1324621230.db2.gz HSNBLHIOQVYIOO-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN CCN(OC)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001303825184 1324622120 /nfs/dbraw/zinc/62/21/20/1324622120.db2.gz LTLULRNQHNDAKK-UHFFFAOYSA-N 0 0 332.306 2.983 10 5 EFBERN CC(C)[S@@](C)(=O)=NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001303909716 1324626157 /nfs/dbraw/zinc/62/61/57/1324626157.db2.gz PGEVOWPTXBGJOF-JOCHJYFZSA-N 0 0 326.374 2.591 10 5 EFBERN CCOC(=O)[C@@](C)(CNC(=O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001303944307 1324626941 /nfs/dbraw/zinc/62/69/41/1324626941.db2.gz FOWHSKGEOCMLNP-QGZVFWFLSA-N 0 0 336.388 2.940 10 5 EFBERN COc1cccc(C(=O)Nc2ccc3ncn(C)c3c2)c1[N+](=O)[O-] ZINC001304030011 1324632241 /nfs/dbraw/zinc/63/22/41/1324632241.db2.gz AYZNFWZNWZFJHO-UHFFFAOYSA-N 0 0 326.312 2.742 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](c2ncccn2)C1 ZINC001304035794 1324632833 /nfs/dbraw/zinc/63/28/33/1324632833.db2.gz JPPTVHOWAQBLMV-SNVBAGLBSA-N 0 0 332.747 2.668 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001304057175 1324635321 /nfs/dbraw/zinc/63/53/21/1324635321.db2.gz ZKIZPPMIYOLLIB-UHFFFAOYSA-N 0 0 332.335 2.574 10 5 EFBERN Cc1oncc1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001304111424 1324640498 /nfs/dbraw/zinc/64/04/98/1324640498.db2.gz OTQUAMRDSXOZLR-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN CCc1cnc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC001304196320 1324644909 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EFBERN CC(=O)c1cccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)c1F ZINC001309820024 1324888019 /nfs/dbraw/zinc/88/80/19/1324888019.db2.gz CGFPGVSYSFKKGB-UHFFFAOYSA-N 0 0 345.329 2.766 10 5 EFBERN CC[C@H](NC(=O)NCc1ccnc(NC)c1)c1cccc([N+](=O)[O-])c1 ZINC001312433764 1324986106 /nfs/dbraw/zinc/98/61/06/1324986106.db2.gz XNWDNJJVMNFAGX-HNNXBMFYSA-N 0 0 343.387 2.982 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001313157084 1325006902 /nfs/dbraw/zinc/00/69/02/1325006902.db2.gz WBIZDXQGPNPFBK-OAHLLOKOSA-N 0 0 347.346 2.575 10 5 EFBERN O=C(NCCC1CC=CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001313269398 1325010751 /nfs/dbraw/zinc/01/07/51/1325010751.db2.gz JGXONKKWTJTVEK-UHFFFAOYSA-N 0 0 344.415 2.783 10 5 EFBERN CC(C)CC[C@H](CO)NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001313351336 1325013106 /nfs/dbraw/zinc/01/31/06/1325013106.db2.gz ITGAWAYXDMSMLX-ZIAGYGMSSA-N 0 0 337.420 2.795 10 5 EFBERN C[C@@H](CNC(=O)NCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC001313352713 1325013029 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COc1cccc(C(=O)NCCN(C)Cc2csc([N+](=O)[O-])c2)c1 ZINC001317470463 1328058296 /nfs/dbraw/zinc/05/82/96/1328058296.db2.gz YORNZFPNKOSOJI-UHFFFAOYSA-N 0 0 349.412 2.527 10 5 EFBERN Cn1ccnc1C[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001321925603 1329416834 /nfs/dbraw/zinc/41/68/34/1329416834.db2.gz VJEIWJMHTMTLFE-LBPRGKRZSA-N 0 0 340.387 2.664 10 5 EFBERN O=C(CC(C1CC1)C1CC1)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001318093767 1328493023 /nfs/dbraw/zinc/49/30/23/1328493023.db2.gz SQQYDQDYYCMMAI-UHFFFAOYSA-N 0 0 343.427 2.722 10 5 EFBERN COc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cn3)o2)c(OC)c1 ZINC001322516553 1329464551 /nfs/dbraw/zinc/46/45/51/1329464551.db2.gz WLWKFHLPZIPLQM-UHFFFAOYSA-N 0 0 328.284 2.724 10 5 EFBERN COc1cccc([C@@H]2CN(c3c(C)cncc3[N+](=O)[O-])CCO2)c1 ZINC001322739196 1329484281 /nfs/dbraw/zinc/48/42/81/1329484281.db2.gz CLLVWINPOYNNBK-INIZCTEOSA-N 0 0 329.356 2.885 10 5 EFBERN COc1cccc([C@H]2CN(c3c(C)cncc3[N+](=O)[O-])CCO2)c1 ZINC001322739197 1329484360 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O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c(Br)c1 ZINC001333613778 1331181793 /nfs/dbraw/zinc/18/17/93/1331181793.db2.gz AEYOUFUDEMROLM-CHWSQXEVSA-N 0 0 341.205 2.750 10 5 EFBERN C[C@@H](NC(=O)C(=O)N1CC[C@@H]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001333652263 1331188473 /nfs/dbraw/zinc/18/84/73/1331188473.db2.gz YEXXTSHXIKXLEI-IUODEOHRSA-N 0 0 345.399 2.563 10 5 EFBERN CCc1[nH]c(CN(C)Cc2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC001333701184 1331196489 /nfs/dbraw/zinc/19/64/89/1331196489.db2.gz HLWSHDKBAWJZJW-UHFFFAOYSA-N 0 0 331.372 2.904 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001334528547 1331289824 /nfs/dbraw/zinc/28/98/24/1331289824.db2.gz UGZZDFMZYSRABK-JGPRNRPPSA-N 0 0 326.299 2.767 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(COC)(C2CCC2)C1 ZINC001334781167 1331306440 /nfs/dbraw/zinc/30/64/40/1331306440.db2.gz HDHLMVFQHPSWDP-UHFFFAOYSA-N 0 0 333.388 2.525 10 5 EFBERN CCNc1ccc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001334832683 1331314957 /nfs/dbraw/zinc/31/49/57/1331314957.db2.gz MMOVVMFPYHZMPL-JGPRNRPPSA-N 0 0 325.315 2.800 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[C@@H](O)C1 ZINC001334919836 1331331594 /nfs/dbraw/zinc/33/15/94/1331331594.db2.gz RPGQPVOLUJQMRP-BXUZGUMPSA-N 0 0 340.807 2.848 10 5 EFBERN C[C@@](O)(CN1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)C(F)(F)F ZINC001335535352 1331369361 /nfs/dbraw/zinc/36/93/61/1331369361.db2.gz HZXSXIBQPDOHHT-LLVKDONJSA-N 0 0 340.248 2.859 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCOC(F)(F)F ZINC001335764539 1331399552 /nfs/dbraw/zinc/39/95/52/1331399552.db2.gz MRJCXKAWBOMXKX-UHFFFAOYSA-N 0 0 332.234 2.629 10 5 EFBERN O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccccc1[N+](=O)[O-] ZINC001335840884 1331409187 /nfs/dbraw/zinc/40/91/87/1331409187.db2.gz ZKIIAINEVGZLEB-PWSUYJOCSA-N 0 0 332.278 2.711 10 5 EFBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001336157322 1331441169 /nfs/dbraw/zinc/44/11/69/1331441169.db2.gz QIIILNKDDZMCMC-HNNXBMFYSA-N 0 0 336.294 2.991 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)Cc1ccccc1 ZINC001336205941 1331446107 /nfs/dbraw/zinc/44/61/07/1331446107.db2.gz WTPMJCHNGVEPED-GFCCVEGCSA-N 0 0 341.367 2.567 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001336350305 1331462334 /nfs/dbraw/zinc/46/23/34/1331462334.db2.gz RYSDJWIHKBBCHJ-VXGBXAGGSA-N 0 0 333.388 2.809 10 5 EFBERN O=C1[C@H](c2ccccc2)CCN1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001337350398 1331565087 /nfs/dbraw/zinc/56/50/87/1331565087.db2.gz DPNKSCWIYWHUJO-SFHVURJKSA-N 0 0 337.379 2.884 10 5 EFBERN COc1ccc(CC(=O)N(C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001337818708 1331601635 /nfs/dbraw/zinc/60/16/35/1331601635.db2.gz CNCLGPXRRDPFJD-SJLPKXTDSA-N 0 0 348.399 2.564 10 5 EFBERN CN(C)c1nccc2c1N(C(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC001338234303 1331675880 /nfs/dbraw/zinc/67/58/80/1331675880.db2.gz GJOYHWFPGROLGR-UHFFFAOYSA-N 0 0 332.385 2.710 10 5 EFBERN O=C(Nc1ccc(Br)c(O)c1)c1ccc([N+](=O)[O-])cn1 ZINC001339754712 1331951517 /nfs/dbraw/zinc/95/15/17/1331951517.db2.gz SUKDWTQJLNAANQ-UHFFFAOYSA-N 0 0 338.117 2.710 10 5 EFBERN Cc1cccc(F)c1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001340221412 1332156515 /nfs/dbraw/zinc/15/65/15/1332156515.db2.gz AANZKYNNGLMYGR-LBPRGKRZSA-N 0 0 344.346 2.764 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H](C)CCO1 ZINC001340980975 1332224582 /nfs/dbraw/zinc/22/45/82/1332224582.db2.gz ABZZESQDBOQJKC-VXGBXAGGSA-N 0 0 329.356 2.783 10 5 EFBERN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](c2nccs2)C(F)(F)F)cc1 ZINC001343894716 1332389268 /nfs/dbraw/zinc/38/92/68/1332389268.db2.gz GVPHPSSGCITGTG-WDEREUQCSA-N 0 0 347.318 2.978 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1C[C@@H](Sc2ccccc2)C1 ZINC001343906765 1332390045 /nfs/dbraw/zinc/39/00/45/1332390045.db2.gz RGQITMPMPUZCMF-BJHJDKERSA-N 0 0 333.369 2.658 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H](Sc3ccccc3)C2)n1 ZINC001343915364 1332390582 /nfs/dbraw/zinc/39/05/82/1332390582.db2.gz 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CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C2CC2)nn1C ZINC001344425090 1332451826 /nfs/dbraw/zinc/45/18/26/1332451826.db2.gz LOMGHCZDCVGLQB-UHFFFAOYSA-N 0 0 330.344 2.857 10 5 EFBERN O=C(OC[C@@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001345003086 1332501830 /nfs/dbraw/zinc/50/18/30/1332501830.db2.gz SWVUFRZBVFDKTD-CYBMUJFWSA-N 0 0 335.356 2.727 10 5 EFBERN C[C@H](C(=O)OCCCN(C)CC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC001345039267 1332504223 /nfs/dbraw/zinc/50/42/23/1332504223.db2.gz OAKOMDNZTDVWKL-JTQLQIEISA-N 0 0 348.321 2.968 10 5 EFBERN CN1CC[C@](C)(COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O ZINC001345147005 1332512780 /nfs/dbraw/zinc/51/27/80/1332512780.db2.gz LARHYCZPYRDRSV-MRXNPFEDSA-N 0 0 348.380 2.835 10 5 EFBERN CCO[C@H]1C[C@H](OC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC001345235740 1332524399 /nfs/dbraw/zinc/52/43/99/1332524399.db2.gz ALVNPTGPTYHILW-WKILWMFISA-N 0 0 345.355 2.564 10 5 EFBERN Cn1c(Cl)ncc1COC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001345238017 1332524654 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EFBERN CN(CC(=O)OC1CCCC(=O)CCC1)c1ccccc1[N+](=O)[O-] ZINC001345695308 1332562766 /nfs/dbraw/zinc/56/27/66/1332562766.db2.gz UQNDJZZVCLZMDI-UHFFFAOYSA-N 0 0 334.372 2.866 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001345822564 1332576249 /nfs/dbraw/zinc/57/62/49/1332576249.db2.gz CLBKYIAPVZGUHL-IRXDYDNUSA-N 0 0 347.415 2.880 10 5 EFBERN CN(CC1(CO)CC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345939774 1332586518 /nfs/dbraw/zinc/58/65/18/1332586518.db2.gz UKTBOMPBVCOUQH-UHFFFAOYSA-N 0 0 329.356 2.984 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2C[C@@H](OC(=O)Cc3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC001345977191 1332589640 /nfs/dbraw/zinc/58/96/40/1332589640.db2.gz QZUCBLJYBZUOHP-IXYNUQLISA-N 0 0 347.367 2.577 10 5 EFBERN C[C@H]1CC[C@@H](CCC(=O)Oc2cc3c(cc2[N+](=O)[O-])OCCO3)O1 ZINC001345977248 1332589664 /nfs/dbraw/zinc/58/96/64/1332589664.db2.gz RKBKIELCDAFMLS-QWRGUYRKSA-N 0 0 337.328 2.619 10 5 EFBERN CCc1nccn1[C@H](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001346080268 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C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)[C@H]1C ZINC001352568194 1333604062 /nfs/dbraw/zinc/60/40/62/1333604062.db2.gz QDBLOQGLYWDNBL-MBNYWOFBSA-N 0 0 343.387 2.730 10 5 EFBERN CN(C(=O)[C@@H]1COc2cc(F)ccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC001352627137 1333638671 /nfs/dbraw/zinc/63/86/71/1333638671.db2.gz PTSZISSNNSVITF-LBPRGKRZSA-N 0 0 330.315 2.948 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)COC(=O)N2 ZINC001352639512 1333646122 /nfs/dbraw/zinc/64/61/22/1333646122.db2.gz LBIOMTFVGHUNCI-UHFFFAOYSA-N 0 0 341.323 2.929 10 5 EFBERN CCc1ncc(Cl)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001352638604 1333646341 /nfs/dbraw/zinc/64/63/41/1333646341.db2.gz ARWBPBNIJWYBJU-UHFFFAOYSA-N 0 0 334.763 2.873 10 5 EFBERN COc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC001352658077 1333656596 /nfs/dbraw/zinc/65/65/96/1333656596.db2.gz NZTUIZXYGZIXPW-UHFFFAOYSA-N 0 0 344.323 2.707 10 5 EFBERN CC1(C)CNC(=O)c2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)coc2C1 ZINC001352661477 1333657260 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NTZSPBANJLGOPJ-CHWSQXEVSA-N 0 0 341.302 2.519 10 5 EFBERN O=C(NCC[C@@H]1CCc2ccccc21)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001472574515 1334240751 /nfs/dbraw/zinc/24/07/51/1334240751.db2.gz RSFQLXRQHMYEIV-LBPRGKRZSA-N 0 0 327.340 2.545 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ncon1 ZINC000848113327 1334314030 /nfs/dbraw/zinc/31/40/30/1334314030.db2.gz IJCHGAGWPSMMAG-FPAJZGIOSA-N 0 0 328.328 2.745 10 5 EFBERN C/C(=C\C(=O)N1CCC[C@@H]1c1ncon1)c1ccc([N+](=O)[O-])cc1 ZINC000848113240 1334314105 /nfs/dbraw/zinc/31/41/05/1334314105.db2.gz HHTDVAWHCJKYMU-CFRMROPGSA-N 0 0 328.328 2.745 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C(F)(F)F)nn1C ZINC001354532722 1334355826 /nfs/dbraw/zinc/35/58/26/1334355826.db2.gz ALKOQOVCDFGUCU-UHFFFAOYSA-N 0 0 329.234 2.875 10 5 EFBERN C/C(=C\C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cnccn1 ZINC001354627965 1334423247 /nfs/dbraw/zinc/42/32/47/1334423247.db2.gz IWAYIRNRBNDBIO-YQCJOKCJSA-N 0 0 326.356 2.974 10 5 EFBERN C/C(=C\C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cnccn1 ZINC001354627964 1334423311 /nfs/dbraw/zinc/42/33/11/1334423311.db2.gz IWAYIRNRBNDBIO-RPHSKFLZSA-N 0 0 326.356 2.974 10 5 EFBERN Cc1cc(NC(=O)Cc2cscn2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001354669428 1334450672 /nfs/dbraw/zinc/45/06/72/1334450672.db2.gz FVFHRWCOJMRRDT-UHFFFAOYSA-N 0 0 343.368 2.727 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(O)cc1Cl ZINC001300697105 1334470277 /nfs/dbraw/zinc/47/02/77/1334470277.db2.gz WWBDBKYDGMRRQV-UHFFFAOYSA-N 0 0 346.730 2.942 10 5 EFBERN CNC(=O)c1ccc(N[C@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC001472835829 1334500993 /nfs/dbraw/zinc/50/09/93/1334500993.db2.gz MRNTWFGOZMVFNI-CYBMUJFWSA-N 0 0 345.330 2.509 10 5 EFBERN Cc1c(OC(=O)c2cc(Br)n(C)n2)cccc1[N+](=O)[O-] ZINC001354882680 1334571889 /nfs/dbraw/zinc/57/18/89/1334571889.db2.gz KBVAAMWZPREHCX-UHFFFAOYSA-N 0 0 340.133 2.618 10 5 EFBERN Cc1nn(C)c(C)c1[C@H](O)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472901597 1334616560 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EFBERN CC(=O)O[C@@H]1CCCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000848372747 1334699455 /nfs/dbraw/zinc/69/94/55/1334699455.db2.gz DXMQJZPCPJNLSX-UILAEWCASA-N 0 0 332.356 2.552 10 5 EFBERN C[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001355108075 1334699978 /nfs/dbraw/zinc/69/99/78/1334699978.db2.gz UCELPFKNVNKMMT-GFCCVEGCSA-N 0 0 341.367 2.504 10 5 EFBERN Cc1noc([C@@H]2CCCN(C(=O)c3c(C)ccc([N+](=O)[O-])c3C)C2)n1 ZINC001355154680 1334708017 /nfs/dbraw/zinc/70/80/17/1334708017.db2.gz SGUNYGHKNRLYJS-CYBMUJFWSA-N 0 0 344.371 2.923 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2cnn(C(C)C)c2)c1 ZINC000848462468 1334729228 /nfs/dbraw/zinc/72/92/28/1334729228.db2.gz GKNNWILRPVORNG-UHFFFAOYSA-N 0 0 339.373 2.757 10 5 EFBERN CC(C)n1cc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000848463982 1334729873 /nfs/dbraw/zinc/72/98/73/1334729873.db2.gz QWMWXVUDMKVPSM-UHFFFAOYSA-N 0 0 345.764 2.793 10 5 EFBERN CC(C)n1cc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000848463985 1334729927 /nfs/dbraw/zinc/72/99/27/1334729927.db2.gz RBOCQNZPMZWOMO-UHFFFAOYSA-N 0 0 345.764 2.793 10 5 EFBERN CC1=C(C)CN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848486689 1334743527 /nfs/dbraw/zinc/74/35/27/1334743527.db2.gz JINUKUURWZCCHY-QGZVFWFLSA-N 0 0 329.400 2.910 10 5 EFBERN C[C@@]1(F)CCCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490562 1334747209 /nfs/dbraw/zinc/74/72/09/1334747209.db2.gz PKFXEBFGNLIQBH-NVXWUHKLSA-N 0 0 335.379 2.692 10 5 EFBERN COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001355367505 1334756569 /nfs/dbraw/zinc/75/65/69/1334756569.db2.gz UORNRHMVCUVPHQ-UHFFFAOYSA-N 0 0 329.356 2.669 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001355429731 1334780316 /nfs/dbraw/zinc/78/03/16/1334780316.db2.gz NLLTYPFDWGCTBL-OLZOCXBDSA-N 0 0 334.372 2.673 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1-n1cccn1 ZINC001355438065 1334783376 /nfs/dbraw/zinc/78/33/76/1334783376.db2.gz VVQGMXWPFDTUEE-UHFFFAOYSA-N 0 0 340.314 2.850 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc([N+](=O)[O-])cc1 ZINC001355437003 1334783416 /nfs/dbraw/zinc/78/34/16/1334783416.db2.gz MNXXTFLXIYBOSD-UHFFFAOYSA-N 0 0 333.275 2.501 10 5 EFBERN COc1ccn2c(c1)ncc2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001355457765 1334787563 /nfs/dbraw/zinc/78/75/63/1334787563.db2.gz NHBYROKSGOUCFG-UHFFFAOYSA-N 0 0 330.275 2.643 10 5 EFBERN COc1ccc(CNC(=O)/C(C)=C/c2cccnc2)cc1[N+](=O)[O-] ZINC001355466022 1334790525 /nfs/dbraw/zinc/79/05/25/1334790525.db2.gz CAQSTQTVPNSPDX-XYOKQWHBSA-N 0 0 327.340 2.718 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)CN1Cc2ccccc2OC1=O ZINC001355473606 1334792128 /nfs/dbraw/zinc/79/21/28/1334792128.db2.gz QCSWMJVSQYTMTR-UHFFFAOYSA-N 0 0 342.307 2.823 10 5 EFBERN O=C(NC[C@@H]1CCCSC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848591091 1334808320 /nfs/dbraw/zinc/80/83/20/1334808320.db2.gz YGTIHEYFRLNAPI-JTQLQIEISA-N 0 0 346.355 2.826 10 5 EFBERN CS[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848590645 1334808377 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2.513 10 5 EFBERN CC(C)(NC(=O)c1cnc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC001450337864 1392576171 /nfs/dbraw/zinc/57/61/71/1392576171.db2.gz SFRPJAWLHHYXSW-UHFFFAOYSA-N 0 0 325.328 2.531 10 5 EFBERN O=C(NC[C@H]1CCCCC(F)(F)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001450418101 1392602085 /nfs/dbraw/zinc/60/20/85/1392602085.db2.gz VLVISRWHGKCEKH-ZETCQYMHSA-N 0 0 336.726 2.917 10 5 EFBERN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001450577770 1392653051 /nfs/dbraw/zinc/65/30/51/1392653051.db2.gz BWZHPGVRLLOREC-WOSRLPQWSA-N 0 0 336.388 2.845 10 5 EFBERN CC1(C)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)c2ccccc21 ZINC001450619499 1392665191 /nfs/dbraw/zinc/66/51/91/1392665191.db2.gz FEGVILWROPTUMH-UHFFFAOYSA-N 0 0 326.356 2.900 10 5 EFBERN Nc1ccc(NC(=O)c2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC001450766074 1392739831 /nfs/dbraw/zinc/73/98/31/1392739831.db2.gz FMLYUCSVMNHSGX-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN Nc1ccc(NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)cc1[N+](=O)[O-] ZINC001450774410 1392744912 /nfs/dbraw/zinc/74/49/12/1392744912.db2.gz ZHMASZFNUHEOMA-UHFFFAOYSA-N 0 0 342.233 2.549 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ncnc2ccsc21 ZINC001452182470 1392892873 /nfs/dbraw/zinc/89/28/73/1392892873.db2.gz KKOMSKBYHBXPRG-UHFFFAOYSA-N 0 0 329.341 2.894 10 5 EFBERN CNc1c(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cccc1[N+](=O)[O-] ZINC001454985433 1394497277 /nfs/dbraw/zinc/49/72/77/1394497277.db2.gz FQKYAYMIZWWEIT-JTQLQIEISA-N 0 0 349.372 2.592 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC001455120787 1394559911 /nfs/dbraw/zinc/55/99/11/1394559911.db2.gz LVHGVFFGCRGEBV-UHFFFAOYSA-N 0 0 346.314 2.664 10 5 EFBERN Cc1nc2c(s1)[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CCC2 ZINC001546069518 1394570577 /nfs/dbraw/zinc/57/05/77/1394570577.db2.gz OHFHVPFWWPQKRW-ZETCQYMHSA-N 0 0 341.780 2.544 10 5 EFBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](O)c1ccccc1 ZINC001455530830 1394603976 /nfs/dbraw/zinc/60/39/76/1394603976.db2.gz CWUSZODCTCNLMJ-YOEHRIQHSA-N 0 0 344.367 2.845 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H](O)c1ccccc1 ZINC001455530821 1394604363 /nfs/dbraw/zinc/60/43/63/1394604363.db2.gz CWUSZODCTCNLMJ-RHSMWYFYSA-N 0 0 344.367 2.845 10 5 EFBERN O=CNc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC001456335444 1394670380 /nfs/dbraw/zinc/67/03/80/1394670380.db2.gz LTDCAWXGTKXHJT-UHFFFAOYSA-N 0 0 328.328 2.604 10 5 EFBERN COc1ccc(NC(=O)c2ccc(N(C)C)c(C=O)c2)cc1[N+](=O)[O-] ZINC001546082349 1394690656 /nfs/dbraw/zinc/69/06/56/1394690656.db2.gz OXCYZOSYINTANI-UHFFFAOYSA-N 0 0 343.339 2.734 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001456453232 1394695562 /nfs/dbraw/zinc/69/55/62/1394695562.db2.gz AQZMHCCIWQDRBY-UHFFFAOYSA-N 0 0 337.335 2.732 10 5 EFBERN Cc1ccc([S@@](C)(=O)=NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001456478606 1394700164 /nfs/dbraw/zinc/70/01/64/1394700164.db2.gz WCUBLZWYSBSSHO-JOCHJYFZSA-N 0 0 342.764 2.577 10 5 EFBERN COc1cccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC001456487216 1394701415 /nfs/dbraw/zinc/70/14/15/1394701415.db2.gz RPHKMEYOBFJCQO-LLVKDONJSA-N 0 0 330.340 2.843 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[C@@H]1CCCC[C@@H]1O ZINC001456516126 1394705387 /nfs/dbraw/zinc/70/53/87/1394705387.db2.gz RUKGSKFZEZICIC-LRDDRELGSA-N 0 0 338.379 2.724 10 5 EFBERN Cc1ccc(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nn1 ZINC001456726147 1394782241 /nfs/dbraw/zinc/78/22/41/1394782241.db2.gz GYDSNFLRPPKXIU-UHFFFAOYSA-N 0 0 338.270 2.571 10 5 EFBERN COc1ccc(OC)c(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001456743425 1394786522 /nfs/dbraw/zinc/78/65/22/1394786522.db2.gz LZMKGVJCYAIFAV-UHFFFAOYSA-N 0 0 345.355 2.684 10 5 EFBERN Cc1ncc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(C2CC2)n1 ZINC001456743309 1394786918 /nfs/dbraw/zinc/78/69/18/1394786918.db2.gz CWDXMUKQAUKHTC-UHFFFAOYSA-N 0 0 327.344 2.714 10 5 EFBERN O=C(N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1)c1ccc([N+](=O)[O-])s1 ZINC001456931445 1394869891 /nfs/dbraw/zinc/86/98/91/1394869891.db2.gz CLFSWGPIOGPILK-MGCOHNPYSA-N 0 0 348.384 2.608 10 5 EFBERN O=C(N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001456936576 1394874696 /nfs/dbraw/zinc/87/46/96/1394874696.db2.gz NUSXPIQYGMOONY-AULYBMBSSA-N 0 0 342.355 2.547 10 5 EFBERN COc1ccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001457187162 1395026006 /nfs/dbraw/zinc/02/60/06/1395026006.db2.gz AZTFNJPLOXOOEO-LBPRGKRZSA-N 0 0 345.355 2.504 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1OCc2ccccc21 ZINC001457208763 1395030859 /nfs/dbraw/zinc/03/08/59/1395030859.db2.gz YIOQCTIQNCTELQ-HNNXBMFYSA-N 0 0 330.315 2.664 10 5 EFBERN COc1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c(C)c1 ZINC001457669009 1395276472 /nfs/dbraw/zinc/27/64/72/1395276472.db2.gz NHHYCDKUVOUVLR-UHFFFAOYSA-N 0 0 332.331 2.910 10 5 EFBERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])CO2 ZINC001457678495 1395280864 /nfs/dbraw/zinc/28/08/64/1395280864.db2.gz UMIZDKWMRMYFHJ-CQSZACIVSA-N 0 0 330.315 2.835 10 5 EFBERN Nc1ncc(C(=O)Nc2nc(-c3ccccc3F)co2)cc1[N+](=O)[O-] ZINC001457788187 1395331129 /nfs/dbraw/zinc/33/11/29/1395331129.db2.gz QWOZIVJIODFMCH-UHFFFAOYSA-N 0 0 343.274 2.618 10 5 EFBERN C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001457814989 1395343656 /nfs/dbraw/zinc/34/36/56/1395343656.db2.gz MOTJVLOIJXTCGU-NWDGAFQWSA-N 0 0 343.383 2.875 10 5 EFBERN O=C(Nc1cccc(-n2ccnn2)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001457834269 1395351933 /nfs/dbraw/zinc/35/19/33/1395351933.db2.gz YFLGCJNCFCPLSO-IRXDYDNUSA-N 0 0 349.350 2.918 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCn2cncc2C1 ZINC001457894404 1395383156 /nfs/dbraw/zinc/38/31/56/1395383156.db2.gz QAUHREHVYFVHCF-LLVKDONJSA-N 0 0 337.339 2.541 10 5 EFBERN O=C(NCc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001457941231 1395389342 /nfs/dbraw/zinc/38/93/42/1395389342.db2.gz PZONAPKJFJSEJU-UHFFFAOYSA-N 0 0 342.138 2.932 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(NCCc2cn3ccccc3n2)cc1F ZINC001458086913 1395405324 /nfs/dbraw/zinc/40/53/24/1395405324.db2.gz VHVJFYMASKRKLX-UHFFFAOYSA-N 0 0 330.319 2.529 10 5 EFBERN Cn1c(Sc2cc[nH]c(=O)c2[N+](=O)[O-])nnc1-c1ccccc1 ZINC001458090007 1395406476 /nfs/dbraw/zinc/40/64/76/1395406476.db2.gz RGEGNHMWVYKNKG-UHFFFAOYSA-N 0 0 329.341 2.642 10 5 EFBERN C[C@@H]1CN(c2ccc(Nc3nn(C)cc3[N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC001458105071 1395407630 /nfs/dbraw/zinc/40/76/30/1395407630.db2.gz AHTVDMYBTGVBNX-PHIMTYICSA-N 0 0 349.366 2.825 10 5 EFBERN COC(=O)Cc1ccc(NCCc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001458138231 1395413551 /nfs/dbraw/zinc/41/35/51/1395413551.db2.gz HCFNEUBBBZUEBE-UHFFFAOYSA-N 0 0 330.340 2.671 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC(=O)N(C(C)C)C2)cc1C ZINC001458154002 1395415058 /nfs/dbraw/zinc/41/50/58/1395415058.db2.gz JEYGDAOOCFHKIZ-LBPRGKRZSA-N 0 0 349.387 2.501 10 5 EFBERN COC(=O)NCc1ccc(Nc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001458181222 1395421302 /nfs/dbraw/zinc/42/13/02/1395421302.db2.gz GSAUYYNKBFMISE-UHFFFAOYSA-N 0 0 336.735 2.665 10 5 EFBERN Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nc(N)nc(Cl)c1N ZINC001458180825 1395421570 /nfs/dbraw/zinc/42/15/70/1395421570.db2.gz FLJJSXDISMGIKW-UHFFFAOYSA-N 0 0 330.131 2.957 10 5 EFBERN COc1cc(C(=O)Nc2ccnc(C)c2Cl)c([N+](=O)[O-])cc1F ZINC001458249819 1395431473 /nfs/dbraw/zinc/43/14/73/1395431473.db2.gz ZFKMLGLCCQKBOB-UHFFFAOYSA-N 0 0 339.710 2.774 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(Oc3ccc(C)[n+]([O-])c3)c2c1 ZINC001458305122 1395442903 /nfs/dbraw/zinc/44/29/03/1395442903.db2.gz ULSOSWOCBNYPBY-UHFFFAOYSA-N 0 0 327.296 2.886 10 5 EFBERN COC(=O)/C=C\c1ccc(OC)c(Oc2ccc([N+](=O)[O-])nc2)c1 ZINC001458363025 1395454180 /nfs/dbraw/zinc/45/41/80/1395454180.db2.gz FPVXVKNOAZCZHQ-YWEYNIOJSA-N 0 0 330.296 2.977 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(Nc3cc4n(n3)CCCC4)c2c1 ZINC001458365177 1395454409 /nfs/dbraw/zinc/45/44/09/1395454409.db2.gz CBVJNVHYTMHXKB-UHFFFAOYSA-N 0 0 339.355 2.850 10 5 EFBERN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCc2cc(Br)ccc21 ZINC001458374232 1395455210 /nfs/dbraw/zinc/45/52/10/1395455210.db2.gz GOKWMVRNOZIJQA-DGCLKSJQSA-N 0 0 339.189 2.784 10 5 EFBERN COC(=O)Cc1ccc(N2Cc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC001458443053 1395468747 /nfs/dbraw/zinc/46/87/47/1395468747.db2.gz FFNCEAHJTNEXCB-UHFFFAOYSA-N 0 0 328.324 2.536 10 5 EFBERN Cc1cc(N[C@@H](C)c2csnn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458440749 1395468897 /nfs/dbraw/zinc/46/88/97/1395468897.db2.gz ZYANPGHARSWUJZ-JTQLQIEISA-N 0 0 342.384 2.807 10 5 EFBERN CN1C(=O)[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC001458481655 1395478688 /nfs/dbraw/zinc/47/86/88/1395478688.db2.gz NMLZNTAXMMZDFE-CYBMUJFWSA-N 0 0 333.294 2.873 10 5 EFBERN NC(=O)c1ccnc(Oc2cnc3c(F)cccc3c2)c1[N+](=O)[O-] ZINC001458497882 1395482771 /nfs/dbraw/zinc/48/27/71/1395482771.db2.gz DGIXWFLWAJKKRO-UHFFFAOYSA-N 0 0 328.259 2.568 10 5 EFBERN CNC(=O)c1ccc(NCc2cccc(OC)c2C)c([N+](=O)[O-])c1 ZINC001458502761 1395483989 /nfs/dbraw/zinc/48/39/89/1395483989.db2.gz RBIIAAWCNLZMPI-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN Cc1nnccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001458522747 1395487811 /nfs/dbraw/zinc/48/78/11/1395487811.db2.gz ZIFUNLWVPVVZNS-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN CCN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001458588425 1395512946 /nfs/dbraw/zinc/51/29/46/1395512946.db2.gz COFXLOZEJRBINK-CYBMUJFWSA-N 0 0 336.392 2.826 10 5 EFBERN O=[N+]([O-])c1ccc(NCCN2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001458591393 1395514268 /nfs/dbraw/zinc/51/42/68/1395514268.db2.gz HZFQQPPSBNWVBF-UHFFFAOYSA-N 0 0 328.328 2.978 10 5 EFBERN NC(=O)c1cc(NCC[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC001458592569 1395514314 /nfs/dbraw/zinc/51/43/14/1395514314.db2.gz JFEUGELPSUKEQP-JOYOIKCWSA-N 0 0 347.293 2.606 10 5 EFBERN COC(=O)c1cc(C)nc(NCC[C@@H]2CC(C)(C)CO2)c1[N+](=O)[O-] ZINC001458595713 1395515802 /nfs/dbraw/zinc/51/58/02/1395515802.db2.gz YCEFCDCVCQUJTI-LLVKDONJSA-N 0 0 337.376 2.702 10 5 EFBERN CN(C)c1ccnc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c1 ZINC001458609376 1395521871 /nfs/dbraw/zinc/52/18/71/1395521871.db2.gz VVRKLJAPOLJZFE-UHFFFAOYSA-N 0 0 341.346 2.777 10 5 EFBERN Cn1cnc2cc(CNc3nc4sccn4c3[N+](=O)[O-])ccc21 ZINC001458613082 1395522132 /nfs/dbraw/zinc/52/21/32/1395522132.db2.gz DUTLXESYDMKRTC-UHFFFAOYSA-N 0 0 328.357 2.803 10 5 EFBERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC001458613304 1395522161 /nfs/dbraw/zinc/52/21/61/1395522161.db2.gz BAHARQYXFYLBIW-VXGBXAGGSA-N 0 0 336.392 2.905 10 5 EFBERN COC(=O)c1ccnc(NCc2c(F)cc(C)cc2F)c1[N+](=O)[O-] ZINC001458631672 1395528778 /nfs/dbraw/zinc/52/87/78/1395528778.db2.gz DYGQWACTADVODX-UHFFFAOYSA-N 0 0 337.282 2.975 10 5 EFBERN COC(=O)c1cc(C)nc(NCC2(OC(C)C)CCC2)c1[N+](=O)[O-] ZINC001458636903 1395531550 /nfs/dbraw/zinc/53/15/50/1395531550.db2.gz DBLGQTUAJJDSFP-UHFFFAOYSA-N 0 0 337.376 2.844 10 5 EFBERN COC(=O)c1cnc(CCNc2ncc(Cl)cc2[N+](=O)[O-])s1 ZINC001458670627 1395545110 /nfs/dbraw/zinc/54/51/10/1395545110.db2.gz WQHBQCYNXOJXPH-UHFFFAOYSA-N 0 0 342.764 2.541 10 5 EFBERN CCc1nc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c[nH]1 ZINC001458672359 1395545558 /nfs/dbraw/zinc/54/55/58/1395545558.db2.gz ZLWQGLPYYDDIGA-UHFFFAOYSA-N 0 0 340.181 2.958 10 5 EFBERN Cc1cc2c(N3CC(Nc4ccc([N+](=O)[O-])c(C)c4)C3)nccn2n1 ZINC001458711607 1395558774 /nfs/dbraw/zinc/55/87/74/1395558774.db2.gz RHXSQLOBWVBTIA-UHFFFAOYSA-N 0 0 338.371 2.555 10 5 EFBERN COC(=O)c1ccc(OC(=O)c2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC001458720991 1395562204 /nfs/dbraw/zinc/56/22/04/1395562204.db2.gz CIYFHHVXTTUCBN-UHFFFAOYSA-N 0 0 345.311 2.522 10 5 EFBERN CC(=O)Nc1cccnc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001458845179 1395619167 /nfs/dbraw/zinc/61/91/67/1395619167.db2.gz VGDFICVVBYQPFE-UHFFFAOYSA-N 0 0 328.328 2.817 10 5 EFBERN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(Cl)nc1 ZINC001458882089 1395630543 /nfs/dbraw/zinc/63/05/43/1395630543.db2.gz ZELAJGOIEOTVDG-UHFFFAOYSA-N 0 0 325.683 2.800 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)CCc2ccccc2)c1 ZINC001458909433 1395640249 /nfs/dbraw/zinc/64/02/49/1395640249.db2.gz FXYTUDFSNFBOTC-UHFFFAOYSA-N 0 0 343.335 2.962 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1OCc1noc(-c2cncc(C)c2)n1 ZINC001458935123 1395647148 /nfs/dbraw/zinc/64/71/48/1395647148.db2.gz MQJZUUYTHCWSDQ-UHFFFAOYSA-N 0 0 342.311 2.936 10 5 EFBERN O=c1c([N+](=O)[O-])cccn1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001458945440 1395652399 /nfs/dbraw/zinc/65/23/99/1395652399.db2.gz IYVDETGJYLLGLP-LBPRGKRZSA-N 0 0 329.139 2.797 10 5 EFBERN O=c1c([N+](=O)[O-])cccn1Cc1ncc(Br)cc1Cl ZINC001458949362 1395654044 /nfs/dbraw/zinc/65/40/44/1395654044.db2.gz STLGRYZGGVNUGG-UHFFFAOYSA-N 0 0 344.552 2.616 10 5 EFBERN COc1ccc(OC(=O)c2coc(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC001458975427 1395663101 /nfs/dbraw/zinc/66/31/01/1395663101.db2.gz WEEXJGUJCPVTAE-UHFFFAOYSA-N 0 0 341.279 2.873 10 5 EFBERN O=[N+]([O-])c1cn(Cc2ccc3nonc3c2)nc1-c1ccc(F)cn1 ZINC001459103866 1395712499 /nfs/dbraw/zinc/71/24/99/1395712499.db2.gz OUKSTBVTVJWYAM-UHFFFAOYSA-N 0 0 340.274 2.577 10 5 EFBERN Cc1ccc2c(c1)nnn(Cc1ccc(Cl)c([N+](=O)[O-])c1)c2=O ZINC001459142983 1395732374 /nfs/dbraw/zinc/73/23/74/1395732374.db2.gz IKJAWBLKZMUFGE-UHFFFAOYSA-N 0 0 330.731 2.710 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCC(=O)c2c[nH]c3ncccc23)c1 ZINC001459144541 1395733633 /nfs/dbraw/zinc/73/36/33/1395733633.db2.gz VTVIMOPSHFVLAI-UHFFFAOYSA-N 0 0 327.296 2.741 10 5 EFBERN Cc1cn(Cc2cccc([N+](=O)[O-])c2Br)c(=O)s1 ZINC001459268451 1395778639 /nfs/dbraw/zinc/77/86/39/1395778639.db2.gz BVHMLZRRRAVYNC-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN O=C(Cn1nnc(-c2ccccc2[N+](=O)[O-])n1)C1CCCCCC1 ZINC001459285144 1395787606 /nfs/dbraw/zinc/78/76/06/1395787606.db2.gz VIMNVLAULJFBGX-UHFFFAOYSA-N 0 0 329.360 2.788 10 5 EFBERN CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)nc1 ZINC001459682805 1395974865 /nfs/dbraw/zinc/97/48/65/1395974865.db2.gz ROLMHOMXDZAZKK-UHFFFAOYSA-N 0 0 339.710 2.824 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CNC2=O ZINC001459868552 1395987256 /nfs/dbraw/zinc/98/72/56/1395987256.db2.gz XLGHXCHHLVKBPL-UHFFFAOYSA-N 0 0 329.287 2.538 10 5 EFBERN CCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H](COC)C(=O)OCC ZINC001459949695 1395994230 /nfs/dbraw/zinc/99/42/30/1395994230.db2.gz BMLVYMOHURTVQA-OAHLLOKOSA-N 0 0 342.367 2.524 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC001460054587 1396001460 /nfs/dbraw/zinc/00/14/60/1396001460.db2.gz YLXLOQSWWHUGFO-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC001460052000 1396001924 /nfs/dbraw/zinc/00/19/24/1396001924.db2.gz RXMUWINDYTZQLF-UHFFFAOYSA-N 0 0 332.213 2.739 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)/C(=C\c1ccccc1)C(F)(F)F ZINC001460050176 1396001933 /nfs/dbraw/zinc/00/19/33/1396001933.db2.gz QPEVEKDLYJFEKR-JXMROGBWSA-N 0 0 340.261 2.913 10 5 EFBERN Cc1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc(C(N)=O)c1 ZINC001460236397 1396015004 /nfs/dbraw/zinc/01/50/04/1396015004.db2.gz ZSBSBLVPQFYRMY-UHFFFAOYSA-N 0 0 349.293 2.733 10 5 EFBERN Cc1ccc(COC(=O)COc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001460288976 1396020281 /nfs/dbraw/zinc/02/02/81/1396020281.db2.gz PPSFEBKHYZCSTD-UHFFFAOYSA-N 0 0 346.295 2.934 10 5 EFBERN O=C(Nc1ccccc1OCCF)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001460298010 1396021834 /nfs/dbraw/zinc/02/18/34/1396021834.db2.gz LZCKLGIWNUNGTE-UHFFFAOYSA-N 0 0 348.286 2.924 10 5 EFBERN CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001460321877 1396025175 /nfs/dbraw/zinc/02/51/75/1396025175.db2.gz QCRAKQNBCAPEKS-PXCJXSSVSA-N 0 0 346.383 2.850 10 5 EFBERN COC(=O)CN(CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001460373938 1396033523 /nfs/dbraw/zinc/03/35/23/1396033523.db2.gz FFDPCTNFGLKEIZ-UHFFFAOYSA-N 0 0 336.388 2.781 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001546115848 1396033967 /nfs/dbraw/zinc/03/39/67/1396033967.db2.gz WRIKKYRCQUZIAH-UHFFFAOYSA-N 0 0 326.352 2.699 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1csc(C(N)=O)c1 ZINC001460425445 1396074766 /nfs/dbraw/zinc/07/47/66/1396074766.db2.gz CSTYJOMQKYEAIL-LLVKDONJSA-N 0 0 347.396 2.963 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1csc(C(N)=O)c1 ZINC001460425459 1396074981 /nfs/dbraw/zinc/07/49/81/1396074981.db2.gz CSTYJOMQKYEAIL-NSHDSACASA-N 0 0 347.396 2.963 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc(F)cnc1Cl ZINC001460555107 1396214461 /nfs/dbraw/zinc/21/44/61/1396214461.db2.gz FLOBBKAKEVNGMP-UHFFFAOYSA-N 0 0 341.701 2.780 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)cnc1Cl ZINC001460557627 1396214744 /nfs/dbraw/zinc/21/47/44/1396214744.db2.gz KDONJOCJEYRQRZ-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2c2ncccn2)cc1 ZINC001460718771 1396246525 /nfs/dbraw/zinc/24/65/25/1396246525.db2.gz UULJVUMOUBUAPU-MRXNPFEDSA-N 0 0 328.372 2.991 10 5 EFBERN Cc1ccccc1[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001460778438 1396254835 /nfs/dbraw/zinc/25/48/35/1396254835.db2.gz NCNVWRFZOHFFCC-QGZVFWFLSA-N 0 0 345.355 2.977 10 5 EFBERN COc1cc(C(N)=O)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001460855389 1396265058 /nfs/dbraw/zinc/26/50/58/1396265058.db2.gz LPLFDACRHYCLHK-UHFFFAOYSA-N 0 0 343.339 2.571 10 5 EFBERN COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001460866748 1396266450 /nfs/dbraw/zinc/26/64/50/1396266450.db2.gz NVHFIEQTFHVIQX-JTQLQIEISA-N 0 0 329.312 2.519 10 5 EFBERN COC(=O)c1ccc2c(c1)N(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001460932065 1396270747 /nfs/dbraw/zinc/27/07/47/1396270747.db2.gz VQXOBNNIRIMLAJ-UHFFFAOYSA-N 0 0 342.351 2.823 10 5 EFBERN COC1([C@@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC001460997989 1396280332 /nfs/dbraw/zinc/28/03/32/1396280332.db2.gz YHVKGANZUCRHBG-SNVBAGLBSA-N 0 0 342.779 2.562 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)nnn2C ZINC001461136081 1396292138 /nfs/dbraw/zinc/29/21/38/1396292138.db2.gz JVSKRHMXHTVLNA-UHFFFAOYSA-N 0 0 325.328 2.746 10 5 EFBERN CCc1ccc(C(=O)Nc2ccc3c(c2)nnn3C)cc1[N+](=O)[O-] ZINC001461138603 1396293239 /nfs/dbraw/zinc/29/32/39/1396293239.db2.gz ZQZAHJNKZDNEAU-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN O=C(Nc1cnc2ccccn12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001461390541 1396374565 /nfs/dbraw/zinc/37/45/65/1396374565.db2.gz WFAQEZYYIMAJKO-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN O=C(Nc1cc(F)ccn1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001461412889 1396377053 /nfs/dbraw/zinc/37/70/53/1396377053.db2.gz RSKBOVQXIVTMBF-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN CNC(=O)Oc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC001461441351 1396380785 /nfs/dbraw/zinc/38/07/85/1396380785.db2.gz WDZIVJJUQHYUMJ-UHFFFAOYSA-N 0 0 346.295 2.541 10 5 EFBERN CC1=C(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C(=O)OC1(C)C ZINC001461448096 1396380799 /nfs/dbraw/zinc/38/07/99/1396380799.db2.gz DXDAGSHVESWRQS-UHFFFAOYSA-N 0 0 341.323 2.733 10 5 EFBERN COCc1cccc(CC(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001461502473 1396384546 /nfs/dbraw/zinc/38/45/46/1396384546.db2.gz UFRGTXFPINSLFV-UHFFFAOYSA-N 0 0 346.295 2.798 10 5 EFBERN C[C@H]1CCn2cc(C(=O)Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2C1 ZINC001461504428 1396385734 /nfs/dbraw/zinc/38/57/34/1396385734.db2.gz ZWXHFXFDECBEQB-VIFPVBQESA-N 0 0 346.299 2.501 10 5 EFBERN COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cnc1OC ZINC001461640311 1396397155 /nfs/dbraw/zinc/39/71/55/1396397155.db2.gz HWSXUUHLYYPJPE-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN COc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cnc1OC ZINC001461640466 1396397205 /nfs/dbraw/zinc/39/72/05/1396397205.db2.gz JIYUEMXEVKISKT-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN COc1ccnc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1F ZINC001461660070 1396397701 /nfs/dbraw/zinc/39/77/01/1396397701.db2.gz ZPEYAQNTBQHEPQ-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN CCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)nn1C ZINC001461704363 1396400608 /nfs/dbraw/zinc/40/06/08/1396400608.db2.gz HUMAIXMCTYPKLB-UHFFFAOYSA-N 0 0 325.328 2.691 10 5 EFBERN Cc1cc(OCC(=O)OCc2coc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001462120046 1396421347 /nfs/dbraw/zinc/42/13/47/1396421347.db2.gz OKEWLFWGAOMHTB-UHFFFAOYSA-N 0 0 332.312 2.891 10 5 EFBERN Cc1sccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001462121643 1396421526 /nfs/dbraw/zinc/42/15/26/1396421526.db2.gz ZWUVBVJNUPIVFQ-UHFFFAOYSA-N 0 0 329.341 2.798 10 5 EFBERN COc1ccc(CC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC001462251418 1396429672 /nfs/dbraw/zinc/42/96/72/1396429672.db2.gz HLJAKLJFYFQJKA-UHFFFAOYSA-N 0 0 332.331 2.910 10 5 EFBERN O=C(NCCC[C@@H]1C=CCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001462573875 1396443023 /nfs/dbraw/zinc/44/30/23/1396443023.db2.gz XPSXZSWKIMPFCM-GFCCVEGCSA-N 0 0 332.356 2.842 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N=[S@@](C)(=O)c2cccc(F)c2)n1 ZINC001462885737 1396458667 /nfs/dbraw/zinc/45/86/67/1396458667.db2.gz VESMAQUICUEXRE-QHCPKHFHSA-N 0 0 337.332 2.734 10 5 EFBERN CCc1ccc(C(=O)N(C)c2cccc(C(=O)NC)c2)cc1[N+](=O)[O-] ZINC001462888967 1396458874 /nfs/dbraw/zinc/45/88/74/1396458874.db2.gz XUDXAKPUJLZSSM-UHFFFAOYSA-N 0 0 341.367 2.793 10 5 EFBERN C[S@@](=O)(=NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001462885759 1396458909 /nfs/dbraw/zinc/45/89/09/1396458909.db2.gz VHLNOWMCNPTYAR-QHCPKHFHSA-N 0 0 336.344 2.960 10 5 EFBERN CCCCSCCC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001463027045 1396467672 /nfs/dbraw/zinc/46/76/72/1396467672.db2.gz NUTXSYNBVGZXCW-UHFFFAOYSA-N 0 0 325.390 2.556 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001463070545 1396471379 /nfs/dbraw/zinc/47/13/79/1396471379.db2.gz XNUOUCVWNPQCFH-UHFFFAOYSA-N 0 0 332.743 2.904 10 5 EFBERN C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001463090555 1396472486 /nfs/dbraw/zinc/47/24/86/1396472486.db2.gz PPBYPRCORKENBP-FZMZJTMJSA-N 0 0 345.355 2.968 10 5 EFBERN COC(=O)CC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCCC1 ZINC001463209751 1396478041 /nfs/dbraw/zinc/47/80/41/1396478041.db2.gz AQIGJNPKONYGSR-UHFFFAOYSA-N 0 0 334.372 2.757 10 5 EFBERN Cn1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(F)F ZINC001463230770 1396478594 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O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCCc2c[nH]nc21 ZINC001465823428 1396713579 /nfs/dbraw/zinc/71/35/79/1396713579.db2.gz YLZIIEDLUGWWGA-CYBMUJFWSA-N 0 0 332.335 2.583 10 5 EFBERN CC(C)(CCO)CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001465829870 1396714677 /nfs/dbraw/zinc/71/46/77/1396714677.db2.gz BRZKAUIWRNIWFW-UHFFFAOYSA-N 0 0 343.383 2.795 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1F ZINC001465914883 1396722632 /nfs/dbraw/zinc/72/26/32/1396722632.db2.gz CEUSFWQLROQDEW-GDBMZVCRSA-N 0 0 347.346 2.558 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(O)c(F)c1 ZINC001465953896 1396725791 /nfs/dbraw/zinc/72/57/91/1396725791.db2.gz FWOVLJLALKGXDE-UHFFFAOYSA-N 0 0 346.314 2.719 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H](CO)c1ccccc1 ZINC001466018311 1396732041 /nfs/dbraw/zinc/73/20/41/1396732041.db2.gz XCUCOVXNSKNPKG-CQSZACIVSA-N 0 0 348.786 2.683 10 5 EFBERN CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001466039188 1396733419 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2.944 10 5 EFBERN C[C@@H](NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CCC1 ZINC001466663015 1396769207 /nfs/dbraw/zinc/76/92/07/1396769207.db2.gz WRJFXBKDUMQQTM-SSDOTTSWSA-N 0 0 342.193 2.858 10 5 EFBERN CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001466678974 1396772693 /nfs/dbraw/zinc/77/26/93/1396772693.db2.gz BNGUKHIEQQQZAR-KRWDZBQOSA-N 0 0 326.352 2.833 10 5 EFBERN COc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1OC(C)C ZINC001466690925 1396773751 /nfs/dbraw/zinc/77/37/51/1396773751.db2.gz ZANHUSKJBSXWDA-UHFFFAOYSA-N 0 0 346.343 2.620 10 5 EFBERN CC(C)Oc1cc(O)ccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001466831558 1396788657 /nfs/dbraw/zinc/78/86/57/1396788657.db2.gz IXPSRUVSBOIZFT-MRXNPFEDSA-N 0 0 346.339 2.760 10 5 EFBERN CNc1nccc(C(=O)Nc2cc3cc(OC)ccc3[nH]2)c1[N+](=O)[O-] ZINC001466838600 1396789961 /nfs/dbraw/zinc/78/99/61/1396789961.db2.gz IBHNFOBYXLZWKZ-UHFFFAOYSA-N 0 0 341.327 2.774 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)CC1CCCC1 ZINC001467417845 1396852595 /nfs/dbraw/zinc/85/25/95/1396852595.db2.gz JMPOZHMENXUFSK-ZDUSSCGKSA-N 0 0 336.388 2.665 10 5 EFBERN COc1ccc2c(c1)OCCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC001467461461 1396858727 /nfs/dbraw/zinc/85/87/27/1396858727.db2.gz IEKCXXLAVXYIDQ-UHFFFAOYSA-N 0 0 346.314 2.777 10 5 EFBERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001467509627 1396863358 /nfs/dbraw/zinc/86/33/58/1396863358.db2.gz ZWFZQQNUSVUAFH-ZDUSSCGKSA-N 0 0 348.790 2.718 10 5 EFBERN Nc1c(Cl)cccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001467560425 1396870846 /nfs/dbraw/zinc/87/08/46/1396870846.db2.gz AGMJCERHOXABFY-UHFFFAOYSA-N 0 0 345.746 2.637 10 5 EFBERN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001467623882 1396877208 /nfs/dbraw/zinc/87/72/08/1396877208.db2.gz KQBJOSCNITVXKQ-MRXNPFEDSA-N 0 0 329.356 2.685 10 5 EFBERN CC(=O)Nc1cc(F)ccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001467660742 1396881691 /nfs/dbraw/zinc/88/16/91/1396881691.db2.gz AHRCXHCTEXJKFG-UHFFFAOYSA-N 0 0 345.330 2.665 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1(CF)CCOCC1 ZINC001468148497 1396928373 /nfs/dbraw/zinc/92/83/73/1396928373.db2.gz WUVVCWGIDVIKAE-UHFFFAOYSA-N 0 0 344.770 2.673 10 5 EFBERN Cc1cc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC001468241654 1396936296 /nfs/dbraw/zinc/93/62/96/1396936296.db2.gz CAZRNNAMILHIQK-UHFFFAOYSA-N 0 0 327.340 2.578 10 5 EFBERN CC1(C)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@H]1c1cccnc1 ZINC001468324150 1396945976 /nfs/dbraw/zinc/94/59/76/1396945976.db2.gz HTELTUGASFFBEC-NSHDSACASA-N 0 0 335.751 2.590 10 5 EFBERN CC(=O)CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(C)C ZINC001468421038 1396956266 /nfs/dbraw/zinc/95/62/66/1396956266.db2.gz UZYOLXJTWJMTAE-UHFFFAOYSA-N 0 0 329.356 2.770 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1Cc2cncnc2C1 ZINC001468472067 1396960492 /nfs/dbraw/zinc/96/04/92/1396960492.db2.gz IFBNNLXHJCTZGS-UHFFFAOYSA-N 0 0 338.245 2.560 10 5 EFBERN CC(C)(NC(=O)c1cnc(C2CC2)[nH]c1=O)c1ccccc1[N+](=O)[O-] ZINC001468485167 1396961270 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O=C(CNc1ccccc1[N+](=O)[O-])N1Cc2cc(F)c(F)cc2C1 ZINC001469460591 1397032628 /nfs/dbraw/zinc/03/26/28/1397032628.db2.gz GCKSHVXKFATTMT-UHFFFAOYSA-N 0 0 333.294 2.827 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@@H](C)c2cnccn2)ccc1[N+](=O)[O-] ZINC001469508676 1397033951 /nfs/dbraw/zinc/03/39/51/1397033951.db2.gz YVQSCUPCYMJGGX-NSHDSACASA-N 0 0 330.344 2.663 10 5 EFBERN CC[C@H](NC(=O)NCCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC001469665794 1397047251 /nfs/dbraw/zinc/04/72/51/1397047251.db2.gz UPKWNDXOYJVWDI-DOMZBBRYSA-N 0 0 349.387 2.688 10 5 EFBERN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001469699270 1397050131 /nfs/dbraw/zinc/05/01/31/1397050131.db2.gz IQIVBIPLYULKEP-CQSZACIVSA-N 0 0 343.318 2.647 10 5 EFBERN COc1cccc(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)c1[N+](=O)[O-] ZINC001469954286 1397061539 /nfs/dbraw/zinc/06/15/39/1397061539.db2.gz RUAPFBBESDLWFA-UHFFFAOYSA-N 0 0 339.307 2.697 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)COC(=O)N2 ZINC001470141179 1397076024 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EFBERN COc1cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1C ZINC001471123453 1397143034 /nfs/dbraw/zinc/14/30/34/1397143034.db2.gz QWHAVUAGVXDCHP-SFHVURJKSA-N 0 0 344.367 2.549 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001471201540 1397149980 /nfs/dbraw/zinc/14/99/80/1397149980.db2.gz RXYOLDCGTHYLFP-AULYBMBSSA-N 0 0 349.387 2.628 10 5 EFBERN C=CC(=O)Nc1cccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001471243510 1397153497 /nfs/dbraw/zinc/15/34/97/1397153497.db2.gz TXDCEIXAFWPPOR-UHFFFAOYSA-N 0 0 339.351 2.958 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1-c1ccc(F)cc1 ZINC001471262355 1397154179 /nfs/dbraw/zinc/15/41/79/1397154179.db2.gz MWVIEHGCTZFEJI-UHFFFAOYSA-N 0 0 341.302 2.754 10 5 EFBERN CC[C@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC001471322096 1397159652 /nfs/dbraw/zinc/15/96/52/1397159652.db2.gz PNNWUHDUXKULSA-JFUSQASVSA-N 0 0 349.309 2.657 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001471322106 1397159959 /nfs/dbraw/zinc/15/99/59/1397159959.db2.gz POULCVPKXURTIP-LLVKDONJSA-N 0 0 330.344 2.564 10 5 EFBERN CC[C@H](NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC001471322098 1397160220 /nfs/dbraw/zinc/16/02/20/1397160220.db2.gz PNNWUHDUXKULSA-ZHAHWJHGSA-N 0 0 349.309 2.657 10 5 EFBERN C[C@H](NC(=O)N[C@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001471329169 1397161054 /nfs/dbraw/zinc/16/10/54/1397161054.db2.gz VTFVOVZETUCRGK-BLLLJJGKSA-N 0 0 329.356 2.689 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001471346777 1397163409 /nfs/dbraw/zinc/16/34/09/1397163409.db2.gz FEMKCEFMSWNJKR-YIYPIFLZSA-N 0 0 332.404 2.598 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001471352978 1397164417 /nfs/dbraw/zinc/16/44/17/1397164417.db2.gz RNCUWENVHQDOTH-UDVXPWBQSA-N 0 0 345.399 2.660 10 5 EFBERN O=C(NCc1cc(C(F)(F)F)n[nH]1)c1cccc([N+](=O)[O-])c1Cl ZINC001471377086 1397166703 /nfs/dbraw/zinc/16/67/03/1397166703.db2.gz OQHPZVGXNKFKPC-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC001471454730 1397172636 /nfs/dbraw/zinc/17/26/36/1397172636.db2.gz OZJIDKOQFBWZON-UHFFFAOYSA-N 0 0 328.324 2.525 10 5 EFBERN C[C@@H](CNC(=O)N[C@@H]1CC(C)(C)CC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001471464891 1397174690 /nfs/dbraw/zinc/17/46/90/1397174690.db2.gz MDCUBMCXCRPHGE-JGGQBBKZSA-N 0 0 349.431 2.937 10 5 EFBERN O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001471503392 1397178954 /nfs/dbraw/zinc/17/89/54/1397178954.db2.gz LJPJLDZDNZNEII-ONGXEEELSA-N 0 0 338.726 2.727 10 5 EFBERN CCc1n[nH]c(C(=O)NCc2cccc(OC(C)(C)C)c2)c1[N+](=O)[O-] ZINC001471711059 1397200465 /nfs/dbraw/zinc/20/04/65/1397200465.db2.gz JXVZJGPCMFZMPS-UHFFFAOYSA-N 0 0 346.387 2.988 10 5 EFBERN CC[C@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001471743979 1397202771 /nfs/dbraw/zinc/20/27/71/1397202771.db2.gz XQBFXMXSINMEAN-DOTOQJQBSA-N 0 0 344.367 2.845 10 5 EFBERN CC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001471743591 1397202985 /nfs/dbraw/zinc/20/29/85/1397202985.db2.gz UXMMXFJVQJOFEU-WBMJQRKESA-N 0 0 346.387 2.683 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471819196 1397211384 /nfs/dbraw/zinc/21/13/84/1397211384.db2.gz QHSXFUYFXXZQIN-CABNGKKXSA-N 0 0 342.399 2.812 10 5 EFBERN COCCC(C)(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471818833 1397211411 /nfs/dbraw/zinc/21/14/11/1397211411.db2.gz JZQZVHCXRYTKBN-UHFFFAOYSA-N 0 0 348.403 2.583 10 5 EFBERN O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1cc(F)ccc1[N+](=O)[O-] ZINC001471829889 1397213196 /nfs/dbraw/zinc/21/31/96/1397213196.db2.gz ANCJNAUQZXTAPC-IUODEOHRSA-N 0 0 334.278 2.936 10 5 EFBERN CCCc1n[nH]c(C(=O)NCc2cscc2Cl)c1[N+](=O)[O-] ZINC001471905471 1397221249 /nfs/dbraw/zinc/22/12/49/1397221249.db2.gz FWRNGSWZGDLZFY-UHFFFAOYSA-N 0 0 328.781 2.915 10 5 EFBERN O=C(NCc1nc2c([nH]1)CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001472064691 1397242638 /nfs/dbraw/zinc/24/26/38/1397242638.db2.gz VJIQWFREQBGCCG-UHFFFAOYSA-N 0 0 334.763 2.780 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@H]2CCSC(C)(C)C2)c1[N+](=O)[O-] ZINC001472087789 1397245475 /nfs/dbraw/zinc/24/54/75/1397245475.db2.gz HDGGTBMQMWEIBF-VIFPVBQESA-N 0 0 326.422 2.845 10 5 EFBERN CC(C)c1nc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c[nH]1 ZINC001472094354 1397246510 /nfs/dbraw/zinc/24/65/10/1397246510.db2.gz UHAXLJBCRDCVHG-UHFFFAOYSA-N 0 0 337.767 2.607 10 5 EFBERN CC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C3)CCC1 ZINC001472127569 1397253486 /nfs/dbraw/zinc/25/34/86/1397253486.db2.gz MZKDFLICYDHTKJ-UHFFFAOYSA-N 0 0 343.427 2.819 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(O)ccc2C1 ZINC001472418889 1397259188 /nfs/dbraw/zinc/25/91/88/1397259188.db2.gz MFWAJWKEXQLSQT-UHFFFAOYSA-N 0 0 328.324 2.508 10 5 EFBERN Cc1cc(C)n2nc(Sc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2n1 ZINC001472650189 1397265467 /nfs/dbraw/zinc/26/54/67/1397265467.db2.gz NGUPUTAYIUWLCP-UHFFFAOYSA-N 0 0 341.356 2.677 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1Sc1nnnn1C1CC1 ZINC001472646784 1397265612 /nfs/dbraw/zinc/26/56/12/1397265612.db2.gz XCACYTVIDYWMKJ-UHFFFAOYSA-N 0 0 332.320 2.755 10 5 EFBERN CCOCCCN(C[C@@H](C)C(=O)OC)c1cc(C)ccc1[N+](=O)[O-] ZINC001472725801 1397267906 /nfs/dbraw/zinc/26/79/06/1397267906.db2.gz OQXJXINGEWBCRP-CQSZACIVSA-N 0 0 338.404 2.945 10 5 EFBERN CS(=O)(=O)c1ccnc(Oc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC001472727865 1397268108 /nfs/dbraw/zinc/26/81/08/1397268108.db2.gz DRKGFWATUIMLCM-UHFFFAOYSA-N 0 0 345.336 2.734 10 5 EFBERN COC(=O)Cn1ncc(Nc2nccc3c2cccc3[N+](=O)[O-])c1C ZINC001472773112 1397269772 /nfs/dbraw/zinc/26/97/72/1397269772.db2.gz LTUIDNVIKMCZTK-UHFFFAOYSA-N 0 0 341.327 2.565 10 5 EFBERN COC(=O)c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2OC)c1 ZINC001472985760 1397276533 /nfs/dbraw/zinc/27/65/33/1397276533.db2.gz VVZJJJJVOIQPQR-UHFFFAOYSA-N 0 0 347.323 2.978 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(O)cc(C(F)(F)F)c2)c1=O ZINC001473007075 1397276999 /nfs/dbraw/zinc/27/69/99/1397276999.db2.gz GHTAAQTYEWYMSF-UHFFFAOYSA-N 0 0 328.246 2.838 10 5 EFBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1ccc2cnccc2c1 ZINC001473029544 1397278371 /nfs/dbraw/zinc/27/83/71/1397278371.db2.gz PXQBGIWJVVFWMA-UHFFFAOYSA-N 0 0 338.348 2.963 10 5 EFBERN COc1ccc(OC)c(COc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001473097502 1397281798 /nfs/dbraw/zinc/28/17/98/1397281798.db2.gz GTUBUQDHJPETAB-UHFFFAOYSA-N 0 0 347.323 2.962 10 5 EFBERN COc1ccc(NC(=O)CSCc2cnc(C)o2)c([N+](=O)[O-])c1 ZINC001473095877 1397281872 /nfs/dbraw/zinc/28/18/72/1397281872.db2.gz WEMQUIPMUGUEHG-UHFFFAOYSA-N 0 0 337.357 2.772 10 5 EFBERN CCCCc1nc(COc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC001473097820 1397282229 /nfs/dbraw/zinc/28/22/29/1397282229.db2.gz QYQRIYKAFZNMFM-UHFFFAOYSA-N 0 0 335.316 2.671 10 5 EFBERN O=C(NCC1CC1)C1(NCc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC001473246116 1397291757 /nfs/dbraw/zinc/29/17/57/1397291757.db2.gz OOFKOKBDAHLTCR-UHFFFAOYSA-N 0 0 335.379 2.663 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1Cc2ccc(O)cc2C1 ZINC001473659829 1397319333 /nfs/dbraw/zinc/31/93/33/1397319333.db2.gz JREGOEBIUXZZSL-UHFFFAOYSA-N 0 0 327.340 2.563 10 5 EFBERN C[C@@H]1Cc2cccc(F)c2N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001473734141 1397326171 /nfs/dbraw/zinc/32/61/71/1397326171.db2.gz QZFAYMWZGKDDSG-GFCCVEGCSA-N 0 0 331.347 2.594 10 5 EFBERN Cc1nccnc1[C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001473773886 1397331100 /nfs/dbraw/zinc/33/11/00/1397331100.db2.gz ZBBJTHDURYEGBF-JTQLQIEISA-N 0 0 349.778 2.636 10 5 EFBERN Cc1ccc(N(CCn2cc([N+](=O)[O-])ccc2=O)CC2CC2)cc1 ZINC001473791658 1397331811 /nfs/dbraw/zinc/33/18/11/1397331811.db2.gz HIJQPRHKRHORTA-UHFFFAOYSA-N 0 0 327.384 2.982 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001473859492 1397340731 /nfs/dbraw/zinc/34/07/31/1397340731.db2.gz NEPYQAFTWNQYJT-AAEUAGOBSA-N 0 0 347.312 2.842 10 5 EFBERN COC(=O)c1ccc2c(c1)N(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC001473877689 1397342753 /nfs/dbraw/zinc/34/27/53/1397342753.db2.gz PJJICOMUKIDTKD-UHFFFAOYSA-N 0 0 326.352 2.987 10 5 EFBERN CC(C)Cc1c[nH]c(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001478260971 1397570269 /nfs/dbraw/zinc/57/02/69/1397570269.db2.gz UAPVRSJRRWFTNB-UHFFFAOYSA-N 0 0 344.415 2.988 10 5 EFBERN COCCC(C)(C)C(=O)NCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001478261747 1397570373 /nfs/dbraw/zinc/57/03/73/1397570373.db2.gz JUUMXKKGZXJXBC-UHFFFAOYSA-N 0 0 337.420 2.518 10 5 EFBERN CN(CCNC(=O)C1(C)CC(F)(F)C1)c1cccc(F)c1[N+](=O)[O-] ZINC001478260330 1397570418 /nfs/dbraw/zinc/57/04/18/1397570418.db2.gz MLNWROLOJQWGGM-UHFFFAOYSA-N 0 0 345.321 2.722 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H]1C1CCCC1 ZINC001478535992 1397583003 /nfs/dbraw/zinc/58/30/03/1397583003.db2.gz QKJYCDJCHLEEEV-OAHLLOKOSA-N 0 0 343.387 2.945 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001479027217 1397602850 /nfs/dbraw/zinc/60/28/50/1397602850.db2.gz ZYSYRLOSRYEMAT-MCIONIFRSA-N 0 0 332.404 2.742 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001479121580 1397610279 /nfs/dbraw/zinc/61/02/79/1397610279.db2.gz DBBVJCDBPGNAFX-MRXNPFEDSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1ccc(CNC(=O)N2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001479123090 1397610358 /nfs/dbraw/zinc/61/03/58/1397610358.db2.gz YNMIEGMIWNZTFU-HNNXBMFYSA-N 0 0 335.404 2.860 10 5 EFBERN C[C@@H](NC(=O)NC[C@]1(C)CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001479212883 1397620305 /nfs/dbraw/zinc/62/03/05/1397620305.db2.gz KDIVHYDWRZJHMO-VMGRFDJRSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](NC(=O)NCc1cc(C2CC2)n(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC001479296905 1397669906 /nfs/dbraw/zinc/66/99/06/1397669906.db2.gz NVOPAMBXNPBTHA-LLVKDONJSA-N 0 0 343.387 2.766 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001479297207 1397670698 /nfs/dbraw/zinc/67/06/98/1397670698.db2.gz RSJPQJIPQWTWIH-WBMJQRKESA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001479297833 1397670828 /nfs/dbraw/zinc/67/08/28/1397670828.db2.gz VTFVOVZETUCRGK-WBMJQRKESA-N 0 0 329.356 2.689 10 5 EFBERN C[C@H](NC(=O)N1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001479304285 1397673587 /nfs/dbraw/zinc/67/35/87/1397673587.db2.gz DGXGNUYMTNEYIU-TVYUQYBPSA-N 0 0 325.315 2.952 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001479551361 1397755024 /nfs/dbraw/zinc/75/50/24/1397755024.db2.gz PINFUJCPTABHTC-RRFJBIMHSA-N 0 0 344.415 2.615 10 5 EFBERN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001479550656 1397755405 /nfs/dbraw/zinc/75/54/05/1397755405.db2.gz KLEKICWRWFLVJV-HFBAOOFYSA-N 0 0 331.372 2.556 10 5 EFBERN CN(CCN(C)C(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001496653739 1400902063 /nfs/dbraw/zinc/90/20/63/1400902063.db2.gz GOKLLIGMBPZTCS-UHFFFAOYSA-N 0 0 327.384 2.799 10 5 EFBERN O=C(/C=C/c1ccco1)NC/C=C\CNCc1csc([N+](=O)[O-])c1 ZINC001497520076 1401433164 /nfs/dbraw/zinc/43/31/64/1401433164.db2.gz ZRIAFIUDHQGNOX-SVDNXBLGSA-N 0 0 347.396 2.725 10 5 EFBERN CCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1[C@@H]1C[C@H]1CF ZINC001499015703 1402427029 /nfs/dbraw/zinc/42/70/29/1402427029.db2.gz LONCPSCSXMEINS-SWLSCSKDSA-N 0 0 345.378 2.842 10 5 EFBERN CC(C)(C(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001499346062 1402575588 /nfs/dbraw/zinc/57/55/88/1402575588.db2.gz VSYRDCGNDQSMQW-UHFFFAOYSA-N 0 0 347.387 2.686 10 5 EFBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCC1CC1 ZINC001511795358 1413144967 /nfs/dbraw/zinc/14/49/67/1413144967.db2.gz VGIVHWWAIHMBTG-UHFFFAOYSA-N 0 0 329.404 2.974 10 5 EFBERN C[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)O ZINC001512235727 1413349083 /nfs/dbraw/zinc/34/90/83/1413349083.db2.gz CMQHPIKIMCJOFH-LBPRGKRZSA-N 0 0 345.403 2.613 10 5 EFBERN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@@H](C)O1 ZINC001512413706 1413423052 /nfs/dbraw/zinc/42/30/52/1413423052.db2.gz XRMGQDJVQLPDHF-VXGBXAGGSA-N 0 0 343.387 2.802 10 5 EFBERN CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCCCOC ZINC001513795650 1413646600 /nfs/dbraw/zinc/64/66/00/1413646600.db2.gz SOGIONOKXXEOEM-UHFFFAOYSA-N 0 0 347.419 2.812 10 5 EFBERN CO[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC)C(C)C ZINC001554635808 1415021668 /nfs/dbraw/zinc/02/16/68/1415021668.db2.gz MSDDENANRNRDNQ-CQSZACIVSA-N 0 0 349.391 2.522 10 5 EFBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](F)C1 ZINC001555761670 1415042770 /nfs/dbraw/zinc/04/27/70/1415042770.db2.gz YKAGKSKMJFVBEL-YPMHNXCESA-N 0 0 349.366 2.989 10 5 EFBERN CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@@H]2C)C1 ZINC001555772008 1415043866 /nfs/dbraw/zinc/04/38/66/1415043866.db2.gz XWWDCQJCTASEDR-NILFDRSVSA-N 0 0 343.387 2.659 10 5 EFBERN CSCCCn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001555929348 1415048037 /nfs/dbraw/zinc/04/80/37/1415048037.db2.gz CFHSKDZNTFLKOB-UHFFFAOYSA-N 0 0 347.444 2.811 10 5 EFBERN CCO[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC001556209212 1415058963 /nfs/dbraw/zinc/05/89/63/1415058963.db2.gz KSFGKTNFPVBNEI-QGZVFWFLSA-N 0 0 348.399 2.780 10 5 EFBERN CCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc2[nH]ccc2c1 ZINC001556236591 1415059977 /nfs/dbraw/zinc/05/99/77/1415059977.db2.gz NCQXXNSNRSRVTA-UHFFFAOYSA-N 0 0 325.328 2.720 10 5 EFBERN O=C(N[C@H](CCO)c1ccco1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001556306948 1415063591 /nfs/dbraw/zinc/06/35/91/1415063591.db2.gz NVKSLMRQFOAGNZ-RBSFLKMASA-N 0 0 330.340 2.531 10 5 EFBERN CCc1[nH]c(=O)c(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1C ZINC001556439363 1415069783 /nfs/dbraw/zinc/06/97/83/1415069783.db2.gz MCBVOAZKAXNGKJ-UHFFFAOYSA-N 0 0 329.356 2.539 10 5 EFBERN CC[C@H](C)N(CC(=O)OC)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001556569530 1415076187 /nfs/dbraw/zinc/07/61/87/1415076187.db2.gz BYTNXSXHKLNNHT-JTQLQIEISA-N 0 0 342.779 2.591 10 5 EFBERN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001556554389 1415076366 /nfs/dbraw/zinc/07/63/66/1415076366.db2.gz GEKIJFKGUUUXTQ-CHWSQXEVSA-N 0 0 343.387 2.688 10 5 EFBERN C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001556554390 1415076388 /nfs/dbraw/zinc/07/63/88/1415076388.db2.gz GEKIJFKGUUUXTQ-STQMWFEESA-N 0 0 343.387 2.688 10 5 EFBERN O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001556652202 1415080505 /nfs/dbraw/zinc/08/05/05/1415080505.db2.gz ACFGVYFYLHLRBE-XJKSGUPXSA-N 0 0 345.330 2.779 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC001556770031 1415087638 /nfs/dbraw/zinc/08/76/38/1415087638.db2.gz BYDLPXZHHVSVKC-UHFFFAOYSA-N 0 0 349.350 2.578 10 5 EFBERN CC(C)(NC(=O)c1cnc2n[nH]cc2c1)c1ccccc1[N+](=O)[O-] ZINC001556798552 1415089640 /nfs/dbraw/zinc/08/96/40/1415089640.db2.gz BYCLGLUVWCWBRU-UHFFFAOYSA-N 0 0 325.328 2.531 10 5 EFBERN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001556847754 1415091369 /nfs/dbraw/zinc/09/13/69/1415091369.db2.gz OQSXTIBQOBQONC-RKDXNWHRSA-N 0 0 330.772 2.801 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1nc2ccccc2o1 ZINC001556869199 1415092755 /nfs/dbraw/zinc/09/27/55/1415092755.db2.gz XFYYJELOLNXKQO-UHFFFAOYSA-N 0 0 343.314 2.777 10 5 EFBERN Nc1ccc(NC(=O)[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001556894868 1415094040 /nfs/dbraw/zinc/09/40/40/1415094040.db2.gz XMZUGNNDMMORMO-GFCCVEGCSA-N 0 0 335.747 2.545 10 5 EFBERN CC(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001556956093 1415097777 /nfs/dbraw/zinc/09/77/77/1415097777.db2.gz VIJOVZIMBHZKCG-TXEJJXNPSA-N 0 0 326.780 2.863 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1-c1ncc[nH]1 ZINC001556976406 1415099411 /nfs/dbraw/zinc/09/94/11/1415099411.db2.gz VZPLOXGBSIFCEH-UHFFFAOYSA-N 0 0 336.351 2.844 10 5 EFBERN COC(=O)[C@@H](C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001556992347 1415100257 /nfs/dbraw/zinc/10/02/57/1415100257.db2.gz WYVSMGPFRICMGH-JTQLQIEISA-N 0 0 343.339 2.706 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(CCO)c1 ZINC001556999291 1415100694 /nfs/dbraw/zinc/10/06/94/1415100694.db2.gz FXCLCBSJCXGARQ-UHFFFAOYSA-N 0 0 339.351 2.723 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]cnc2c1F ZINC001557170703 1415109996 /nfs/dbraw/zinc/10/99/96/1415109996.db2.gz CYESKUBRGXNRBH-UHFFFAOYSA-N 0 0 329.291 2.904 10 5 EFBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C(N)=O)c1 ZINC001557170649 1415110021 /nfs/dbraw/zinc/11/00/21/1415110021.db2.gz QIDUNUVDSIKLCU-UHFFFAOYSA-N 0 0 331.303 2.702 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1conc1C(F)(F)F ZINC001557173947 1415110070 /nfs/dbraw/zinc/11/00/70/1415110070.db2.gz YJJKKLGXEOPWAG-UHFFFAOYSA-N 0 0 330.222 2.896 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(CO)cc1 ZINC001557177315 1415110730 /nfs/dbraw/zinc/11/07/30/1415110730.db2.gz MYLOYUGPJVWJSJ-UHFFFAOYSA-N 0 0 334.759 2.599 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001557189856 1415111367 /nfs/dbraw/zinc/11/13/67/1415111367.db2.gz PHGULWFMIQSNRW-CQSZACIVSA-N 0 0 347.774 2.641 10 5 EFBERN Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001557195112 1415111521 /nfs/dbraw/zinc/11/15/21/1415111521.db2.gz QCPPWXJXPNIRSQ-ZBEGNZNMSA-N 0 0 332.331 2.894 10 5 EFBERN COc1cncc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1C ZINC001557208571 1415112729 /nfs/dbraw/zinc/11/27/29/1415112729.db2.gz RITILZOMXAFTGS-UHFFFAOYSA-N 0 0 337.282 2.515 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1nccc(Cl)c1F ZINC001557208828 1415112989 /nfs/dbraw/zinc/11/29/89/1415112989.db2.gz VTGILLBPKYGVCK-UHFFFAOYSA-N 0 0 345.664 2.991 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC001557208094 1415113017 /nfs/dbraw/zinc/11/30/17/1415113017.db2.gz HDVWNIGRHYEVBB-CYBMUJFWSA-N 0 0 326.356 2.592 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc2c1CCOC2 ZINC001557208222 1415113087 /nfs/dbraw/zinc/11/30/87/1415113087.db2.gz MOOBAECGHBCHON-UHFFFAOYSA-N 0 0 348.305 2.876 10 5 EFBERN O=C(Nc1ccc(CO)cc1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001557223611 1415113555 /nfs/dbraw/zinc/11/35/55/1415113555.db2.gz DOPDCVUOFXAOIT-UHFFFAOYSA-N 0 0 344.323 2.501 10 5 EFBERN O=C(NC[C@@H]1CCc2cccnc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001557233333 1415114346 /nfs/dbraw/zinc/11/43/46/1415114346.db2.gz KUBFOHDPLQQLEM-ZDUSSCGKSA-N 0 0 336.351 2.931 10 5 EFBERN Cc1c(C(=O)NCC=C(Cl)Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001557254345 1415115113 /nfs/dbraw/zinc/11/51/13/1415115113.db2.gz MPICDVGXAAIAMI-UHFFFAOYSA-N 0 0 334.115 2.860 10 5 EFBERN CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)nc1 ZINC001557255332 1415115806 /nfs/dbraw/zinc/11/58/06/1415115806.db2.gz SXTSNMHSOJGVHG-UHFFFAOYSA-N 0 0 332.316 2.526 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)c2csc(C(C)C)n2)c1 ZINC001557265918 1415116498 /nfs/dbraw/zinc/11/64/98/1415116498.db2.gz HHLOVDCIZSSFKX-GFCCVEGCSA-N 0 0 349.412 2.947 10 5 EFBERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1CC2CCC1CC2 ZINC001557324617 1415120318 /nfs/dbraw/zinc/12/03/18/1415120318.db2.gz UUPZJMUMHTWSGX-WOOKNIGNSA-N 0 0 326.784 2.916 10 5 EFBERN CC1(C)CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCc2ccccc21 ZINC001557452942 1415126195 /nfs/dbraw/zinc/12/61/95/1415126195.db2.gz XDLFFGSVTLWOHE-UHFFFAOYSA-N 0 0 340.383 2.548 10 5 EFBERN COCC1(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCCC1 ZINC001557472399 1415128018 /nfs/dbraw/zinc/12/80/18/1415128018.db2.gz HRCVQVTXFIFAHH-UHFFFAOYSA-N 0 0 345.758 2.659 10 5 EFBERN COc1cc(C(=O)N[C@@H]2CCc3ccc(O)cc32)c([N+](=O)[O-])cc1F ZINC001557554703 1415131293 /nfs/dbraw/zinc/13/12/93/1415131293.db2.gz MSUGGJARKVRIKN-CQSZACIVSA-N 0 0 346.314 2.865 10 5 EFBERN O=C(N[C@@H]1CCc2ccc(O)cc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001557553272 1415131393 /nfs/dbraw/zinc/13/13/93/1415131393.db2.gz FPKKRRQBQOMNPB-CQSZACIVSA-N 0 0 338.323 2.594 10 5 EFBERN O=C(N[C@H]1CCc2ccc(O)cc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001557553271 1415131568 /nfs/dbraw/zinc/13/15/68/1415131568.db2.gz FPKKRRQBQOMNPB-AWEZNQCLSA-N 0 0 338.323 2.594 10 5 EFBERN Cc1nc(-c2ccc(NC(=O)Cn3c(C)ncc3[N+](=O)[O-])cc2)co1 ZINC001557579579 1415132982 /nfs/dbraw/zinc/13/29/82/1415132982.db2.gz UTUJFYGFELVQJT-UHFFFAOYSA-N 0 0 341.327 2.702 10 5 EFBERN COc1cncc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC001557688949 1415137825 /nfs/dbraw/zinc/13/78/25/1415137825.db2.gz NTRAMGHQHYUSEN-UHFFFAOYSA-N 0 0 333.369 2.650 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cnn([C@@H]2CCCCO2)c1 ZINC001557687565 1415137978 /nfs/dbraw/zinc/13/79/78/1415137978.db2.gz DOQXTKIMZKTBKU-INIZCTEOSA-N 0 0 346.343 2.508 10 5 EFBERN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC001557951976 1415152335 /nfs/dbraw/zinc/15/23/35/1415152335.db2.gz JTJDADNVXJLGOX-UHFFFAOYSA-N 0 0 327.218 2.920 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001557968952 1415153100 /nfs/dbraw/zinc/15/31/00/1415153100.db2.gz OFSLXWMPYYPGFS-CQSZACIVSA-N 0 0 345.330 2.610 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001557986278 1415153902 /nfs/dbraw/zinc/15/39/02/1415153902.db2.gz YRTPRQCPEIEVIS-HNNXBMFYSA-N 0 0 334.759 2.906 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC1(CO)CCCCCCC1 ZINC001557996329 1415154515 /nfs/dbraw/zinc/15/45/15/1415154515.db2.gz ZJCJQQBETAVCFS-UHFFFAOYSA-N 0 0 336.388 2.565 10 5 EFBERN CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1F ZINC001558024214 1415155902 /nfs/dbraw/zinc/15/59/02/1415155902.db2.gz QSKMBKIJRDBYHT-UHFFFAOYSA-N 0 0 336.298 2.774 10 5 EFBERN Cc1cccc(C(=O)NCc2cc(=O)c3ccccc3[nH]2)c1[N+](=O)[O-] ZINC001558039713 1415157203 /nfs/dbraw/zinc/15/72/03/1415157203.db2.gz RXSDEXHFOPLKMY-UHFFFAOYSA-N 0 0 337.335 2.675 10 5 EFBERN Cc1nc(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)oc1C ZINC001558086818 1415158732 /nfs/dbraw/zinc/15/87/32/1415158732.db2.gz VYYJYCRXGGPOIU-UHFFFAOYSA-N 0 0 341.327 2.520 10 5 EFBERN O=C(NC[C@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001558090007 1415159626 /nfs/dbraw/zinc/15/96/26/1415159626.db2.gz XLLAOSGRFQYHAK-SECBINFHSA-N 0 0 347.749 2.565 10 5 EFBERN CC(C)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001558290745 1415170009 /nfs/dbraw/zinc/17/00/09/1415170009.db2.gz AZBAXVSGOPXTLH-MRXNPFEDSA-N 0 0 341.367 2.873 10 5 EFBERN COc1ccccc1[C@@H](O)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001558301270 1415171185 /nfs/dbraw/zinc/17/11/85/1415171185.db2.gz DFYUWOGPDQKOMY-BDJLRTHQSA-N 0 0 330.340 2.514 10 5 EFBERN O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001558326526 1415172650 /nfs/dbraw/zinc/17/26/50/1415172650.db2.gz CVTHTSLAGFMVFH-UKRRQHHQSA-N 0 0 334.278 2.936 10 5 EFBERN CC(C)[S@@](C)(=O)=NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001558470019 1415182365 /nfs/dbraw/zinc/18/23/65/1415182365.db2.gz QQEPHZIJXGMTJK-OAQYLSRUSA-N 0 0 337.760 2.616 10 5 EFBERN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001558477460 1415182752 /nfs/dbraw/zinc/18/27/52/1415182752.db2.gz JHXKDIVVYGQQSR-IUODEOHRSA-N 0 0 340.383 2.980 10 5 EFBERN CC(C)(C)c1ccc(C(=O)NCC(=O)c2cncs2)cc1[N+](=O)[O-] ZINC001558628282 1415192622 /nfs/dbraw/zinc/19/26/22/1415192622.db2.gz ANQFNRMVOXPKNC-UHFFFAOYSA-N 0 0 347.396 2.962 10 5 EFBERN COC(=O)CC1(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)CCCC1 ZINC001558676585 1415193943 /nfs/dbraw/zinc/19/39/43/1415193943.db2.gz HLIMOBPDRWCZIN-UHFFFAOYSA-N 0 0 349.387 2.938 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c(N)c1[N+](=O)[O-] ZINC001558675744 1415194059 /nfs/dbraw/zinc/19/40/59/1415194059.db2.gz FDTFIYJLWHIORP-QLJPJBMISA-N 0 0 343.339 2.652 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2COc3ccc(F)cc3C2)c(N)c1[N+](=O)[O-] ZINC001558675518 1415194076 /nfs/dbraw/zinc/19/40/76/1415194076.db2.gz BDLUSUXULLHUDK-LLVKDONJSA-N 0 0 345.330 2.814 10 5 EFBERN CCNc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC001558651995 1415194111 /nfs/dbraw/zinc/19/41/11/1415194111.db2.gz GMSHCWBCKXURMT-UHFFFAOYSA-N 0 0 334.307 2.578 10 5 EFBERN Cc1ccc(NC(=O)c2ccnn2-c2ccccc2)c(N)c1[N+](=O)[O-] ZINC001558676555 1415194145 /nfs/dbraw/zinc/19/41/45/1415194145.db2.gz FUXYUMSHFNYZIK-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN O=C(NCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])c[nH]1 ZINC001558717008 1415197453 /nfs/dbraw/zinc/19/74/53/1415197453.db2.gz NGIRLQPZOGLMGF-UHFFFAOYSA-N 0 0 342.124 2.755 10 5 EFBERN Cc1nc2ccccn2c1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001558725231 1415198219 /nfs/dbraw/zinc/19/82/19/1415198219.db2.gz APICZMBVVPVIQD-UHFFFAOYSA-N 0 0 328.303 2.620 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@]12CCOC2 ZINC001558828474 1415204736 /nfs/dbraw/zinc/20/47/36/1415204736.db2.gz NZDOGEPNKCIKMK-INIZCTEOSA-N 0 0 338.791 2.962 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001558872819 1415208079 /nfs/dbraw/zinc/20/80/79/1415208079.db2.gz PYTBEXFGPWBYKK-AOOOYVTPSA-N 0 0 325.315 2.558 10 5 EFBERN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)sn1 ZINC001558982398 1415215353 /nfs/dbraw/zinc/21/53/53/1415215353.db2.gz ZNVXENCWZMIOSS-UHFFFAOYSA-N 0 0 344.352 2.925 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001559024318 1415218928 /nfs/dbraw/zinc/21/89/28/1415218928.db2.gz ZOOMMCGSBYMDSH-ZDUSSCGKSA-N 0 0 345.742 2.541 10 5 EFBERN C[C@@H]1Oc2ccc(Nc3cc(F)c([N+](=O)[O-])cc3CO)cc2NC1=O ZINC001559057918 1415221627 /nfs/dbraw/zinc/22/16/27/1415221627.db2.gz SKBZTCYKWGJBOG-QMMMGPOBSA-N 0 0 347.302 2.689 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H](CCO)CSC)cc1C ZINC001559110789 1415224510 /nfs/dbraw/zinc/22/45/10/1415224510.db2.gz OKSNNWAZSWCZME-LLVKDONJSA-N 0 0 342.417 2.606 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(Nc3cnn(CC4CC4)c3)c2c1 ZINC001559118910 1415224916 /nfs/dbraw/zinc/22/49/16/1415224916.db2.gz PIYPUZCNAZWAAR-UHFFFAOYSA-N 0 0 339.355 2.924 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(OCC(F)F)C2)cc1C ZINC001559127693 1415226056 /nfs/dbraw/zinc/22/60/56/1415226056.db2.gz UDLHPFWSVYVMPC-UHFFFAOYSA-N 0 0 344.314 2.550 10 5 EFBERN C[C@@H](C[C@H](O)c1ccco1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001559136780 1415226335 /nfs/dbraw/zinc/22/63/35/1415226335.db2.gz CVZBUCYYCPRANZ-YUMQZZPRSA-N 0 0 348.281 2.864 10 5 EFBERN COC(=O)c1ccnc(NCC2(C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001559141156 1415226535 /nfs/dbraw/zinc/22/65/35/1415226535.db2.gz LEGCDODFHRDBTJ-UHFFFAOYSA-N 0 0 341.367 2.993 10 5 EFBERN Cn1ccc(CCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])n1 ZINC001559159736 1415227152 /nfs/dbraw/zinc/22/71/52/1415227152.db2.gz QJMMPZVPWYQUAY-UHFFFAOYSA-N 0 0 331.763 2.606 10 5 EFBERN C[C@H](Nc1c(F)cccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC001559190551 1415228671 /nfs/dbraw/zinc/22/86/71/1415228671.db2.gz VHUSJBCTPGYZGM-LBPRGKRZSA-N 0 0 331.347 2.893 10 5 EFBERN O=[N+]([O-])c1cnccc1NCc1cccnc1-n1cnc2ccccc21 ZINC001559196153 1415229311 /nfs/dbraw/zinc/22/93/11/1415229311.db2.gz IRWJOHYRDLSFOC-UHFFFAOYSA-N 0 0 346.350 2.758 10 5 EFBERN O=[N+]([O-])c1ccc(Oc2nc(Cl)nc3[nH]cnc32)c(F)c1F ZINC001559200387 1415229556 /nfs/dbraw/zinc/22/95/56/1415229556.db2.gz WHKBGKLTKYCGON-UHFFFAOYSA-N 0 0 327.634 2.985 10 5 EFBERN C[C@@H]1C[C@@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CS1 ZINC001559212535 1415229896 /nfs/dbraw/zinc/22/98/96/1415229896.db2.gz NLWZZBMFPIPVQH-RKDXNWHRSA-N 0 0 334.357 2.779 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(N2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001559229278 1415231516 /nfs/dbraw/zinc/23/15/16/1415231516.db2.gz CNDGXWFFVPHHQQ-ZIAGYGMSSA-N 0 0 340.383 2.938 10 5 EFBERN O=c1cc([C@@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)[nH][nH]1 ZINC001559227693 1415231560 /nfs/dbraw/zinc/23/15/60/1415231560.db2.gz ZYAJYZWUTOTKLX-SNVBAGLBSA-N 0 0 325.328 2.566 10 5 EFBERN CCOC(=O)[C@]1(F)CN(c2ccc(F)cc2[N+](=O)[O-])CC12CCC2 ZINC001559235184 1415232729 /nfs/dbraw/zinc/23/27/29/1415232729.db2.gz WOYSKHZEUSULNF-MRXNPFEDSA-N 0 0 340.326 2.996 10 5 EFBERN CCc1ccc(CN2CCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC001559267950 1415234637 /nfs/dbraw/zinc/23/46/37/1415234637.db2.gz LMANXGVQLMAYDC-UHFFFAOYSA-N 0 0 326.400 2.874 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C[C@@H]4CCC[C@H]4O3)c2c1 ZINC001559271644 1415235580 /nfs/dbraw/zinc/23/55/80/1415235580.db2.gz OFJWTUZDUIDCTC-PLQHRBFRSA-N 0 0 343.383 2.943 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3C[C@H]4CCC[C@H]4O3)c2c1 ZINC001559271643 1415235922 /nfs/dbraw/zinc/23/59/22/1415235922.db2.gz OFJWTUZDUIDCTC-BTJLNZGRSA-N 0 0 343.383 2.943 10 5 EFBERN CC(C)(C)Oc1cccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])c1 ZINC001559272905 1415235927 /nfs/dbraw/zinc/23/59/27/1415235927.db2.gz QHQKZCUDWRGROZ-UHFFFAOYSA-N 0 0 344.371 2.878 10 5 EFBERN CNS(=O)(=O)c1ccc(NCC2CCC=CCC2)c([N+](=O)[O-])c1 ZINC001559286182 1415236805 /nfs/dbraw/zinc/23/68/05/1415236805.db2.gz PJMUYGJDDDOLBU-UHFFFAOYSA-N 0 0 339.417 2.661 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])c(OC(C)C)n3)[C@@H]2C1 ZINC001559292276 1415237391 /nfs/dbraw/zinc/23/73/91/1415237391.db2.gz KPNCDKZZYXVHGD-LPWJVIDDSA-N 0 0 349.387 2.777 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](Nc3c([N+](=O)[O-])nc(C)n3CC)C2)n1 ZINC001559294881 1415238274 /nfs/dbraw/zinc/23/82/74/1415238274.db2.gz DMPGILDCQBDICX-WDEREUQCSA-N 0 0 334.380 2.813 10 5 EFBERN Cc1cc(C)c(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1 ZINC001559311926 1415238942 /nfs/dbraw/zinc/23/89/42/1415238942.db2.gz NYCFQUXTYKIMNY-UHFFFAOYSA-N 0 0 325.324 2.711 10 5 EFBERN COC(=O)c1ccc(OCc2ccc3nccnc3c2)c([N+](=O)[O-])c1 ZINC001559342625 1415240455 /nfs/dbraw/zinc/24/04/55/1415240455.db2.gz LFLKNQZSEZPRQY-UHFFFAOYSA-N 0 0 339.307 2.904 10 5 EFBERN Cn1cc(CSc2ccc([N+](=O)[O-])cn2)c(Br)n1 ZINC001559391256 1415242576 /nfs/dbraw/zinc/24/25/76/1415242576.db2.gz VDAAFMKHQIMNHX-UHFFFAOYSA-N 0 0 329.179 2.778 10 5 EFBERN Cc1cc(C)c(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c(C)n1 ZINC001559388972 1415242803 /nfs/dbraw/zinc/24/28/03/1415242803.db2.gz IFKGHHHHPMDZJD-UHFFFAOYSA-N 0 0 340.339 2.780 10 5 EFBERN CC(=O)c1ccc(OCc2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC001559391810 1415242857 /nfs/dbraw/zinc/24/28/57/1415242857.db2.gz NKTNOVFREGSMRV-UHFFFAOYSA-N 0 0 349.364 2.780 10 5 EFBERN Nc1nc(SCC(=O)c2ccc(F)c(Cl)c2)ncc1[N+](=O)[O-] ZINC001559415582 1415244290 /nfs/dbraw/zinc/24/42/90/1415244290.db2.gz ZJDJNPOSZCJLAT-UHFFFAOYSA-N 0 0 342.739 2.735 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC001559429494 1415245171 /nfs/dbraw/zinc/24/51/71/1415245171.db2.gz BDHXLQCFWWSGGG-UHFFFAOYSA-N 0 0 344.323 2.824 10 5 EFBERN Cc1ccc2c(c1)nnn(Cc1ccc([N+](=O)[O-])cc1Cl)c2=O ZINC001559432148 1415245233 /nfs/dbraw/zinc/24/52/33/1415245233.db2.gz LMLKUSASCFCFJE-UHFFFAOYSA-N 0 0 330.731 2.710 10 5 EFBERN CC(=O)c1cccc(OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1F ZINC001559460772 1415247765 /nfs/dbraw/zinc/24/77/65/1415247765.db2.gz BUIYTTZSEPRWOV-UHFFFAOYSA-N 0 0 332.287 2.614 10 5 EFBERN CO[C@@H](Cc1ccccc1)Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001559474541 1415248627 /nfs/dbraw/zinc/24/86/27/1415248627.db2.gz NUHDOCHGRPKRLT-AWEZNQCLSA-N 0 0 339.355 2.506 10 5 EFBERN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC001559706182 1415253631 /nfs/dbraw/zinc/25/36/31/1415253631.db2.gz KEUDWLYOLDLXQC-RNCFNFMXSA-N 0 0 329.194 2.560 10 5 EFBERN CCOC(=O)CN(CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001559732300 1415254275 /nfs/dbraw/zinc/25/42/75/1415254275.db2.gz CETNGXMFDFCRGQ-UHFFFAOYSA-N 0 0 336.388 2.781 10 5 EFBERN CN(CCCCO)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559754488 1415255000 /nfs/dbraw/zinc/25/50/00/1415255000.db2.gz YDXNNLZVUQQLTP-UHFFFAOYSA-N 0 0 340.767 2.503 10 5 EFBERN COC(=O)CC[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001560116700 1415264925 /nfs/dbraw/zinc/26/49/25/1415264925.db2.gz GXXGXMLKLDAXNA-LBPRGKRZSA-N 0 0 346.387 2.636 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnc(CNC2([C@@H]3CCCCO3)CC2)o1 ZINC001560171450 1415266030 /nfs/dbraw/zinc/26/60/30/1415266030.db2.gz VOBFRTMWDJEPFN-AWEZNQCLSA-N 0 0 344.371 2.836 10 5 EFBERN Cc1ccc(CN2CCC(CN=S(C)(C)=O)CC2)cc1[N+](=O)[O-] ZINC001560157868 1415266560 /nfs/dbraw/zinc/26/65/60/1415266560.db2.gz RQLNZEPEMCTYTP-UHFFFAOYSA-N 0 0 339.461 2.843 10 5 EFBERN C[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccccn1 ZINC001560220438 1415268164 /nfs/dbraw/zinc/26/81/64/1415268164.db2.gz NHJWJGGCQNDMQY-NSHDSACASA-N 0 0 325.328 2.891 10 5 EFBERN Cn1cc([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC001560217791 1415268734 /nfs/dbraw/zinc/26/87/34/1415268734.db2.gz OIDGUQXIAFAGCC-NSHDSACASA-N 0 0 335.795 2.756 10 5 EFBERN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001560232469 1415269798 /nfs/dbraw/zinc/26/97/98/1415269798.db2.gz WTBBEWLNALKEDX-GHMZBOCLSA-N 0 0 341.795 2.686 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2cc(O)ccc2C1 ZINC001560239695 1415269913 /nfs/dbraw/zinc/26/99/13/1415269913.db2.gz KANCCLLMRKIPPJ-LBPRGKRZSA-N 0 0 341.367 2.686 10 5 EFBERN CC[C@@H](NC(=O)N1CC[C@H](C)[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC001564377074 1415376579 /nfs/dbraw/zinc/37/65/79/1415376579.db2.gz ZMRYYEYSVNMTFU-DUVNUKRYSA-N 0 0 335.404 2.706 10 5 EFBERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC001564432045 1415377629 /nfs/dbraw/zinc/37/76/29/1415377629.db2.gz SACUWLKHENJRRC-NILFDRSVSA-N 0 0 335.404 2.762 10 5 EFBERN C[C@@H](NC(=O)NCc1nnc(C(C)(C)C)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001564904624 1415385479 /nfs/dbraw/zinc/38/54/79/1415385479.db2.gz OHOGDXBQCQRECS-SNVBAGLBSA-N 0 0 346.391 2.571 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001565213820 1415391552 /nfs/dbraw/zinc/39/15/52/1415391552.db2.gz ADUOMCLPVSCKFQ-HNNXBMFYSA-N 0 0 347.346 2.575 10 5 EFBERN O=C(NCCCCC1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001565213853 1415391573 /nfs/dbraw/zinc/39/15/73/1415391573.db2.gz BTMZSWWERITECC-UHFFFAOYSA-N 0 0 333.388 2.948 10 5 EFBERN COC(=O)CC1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001565338796 1415393125 /nfs/dbraw/zinc/39/31/25/1415393125.db2.gz GIWRWLJCJPKPGS-GFCCVEGCSA-N 0 0 349.387 2.641 10 5 EFBERN C[C@@H](NC(=O)NCc1cc(C2CC2)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC001565338795 1415393187 /nfs/dbraw/zinc/39/31/87/1415393187.db2.gz GIWRKQSDYNMTKL-LLVKDONJSA-N 0 0 343.387 2.766 10 5 EFBERN C[C@H](CNC(=O)NC[C@@]1(O)CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001565410768 1415395095 /nfs/dbraw/zinc/39/50/95/1415395095.db2.gz AMXZRISKZRZITG-XNJGSVPQSA-N 0 0 335.404 2.549 10 5 EFBERN Cc1cscc1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001565501134 1415399468 /nfs/dbraw/zinc/39/94/68/1415399468.db2.gz LBVBKENFYNEWOP-UHFFFAOYSA-N 0 0 345.424 2.923 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(Oc2ccccc2)C1 ZINC001565600054 1415405711 /nfs/dbraw/zinc/40/57/11/1415405711.db2.gz MZIQZQBUFXUOOI-UHFFFAOYSA-N 0 0 330.315 2.946 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2cnoc2C(C)C)ccc1[N+](=O)[O-] ZINC001565599035 1415405981 /nfs/dbraw/zinc/40/59/81/1415405981.db2.gz DCBJCDIQASCLOL-UHFFFAOYSA-N 0 0 346.387 2.881 10 5 EFBERN Cc1ccnc(N(C)CCNC(=O)C2(F)CCCCC2)c1[N+](=O)[O-] ZINC001565599401 1415406203 /nfs/dbraw/zinc/40/62/03/1415406203.db2.gz WCHFZAFVHIDLQE-UHFFFAOYSA-N 0 0 338.383 2.523 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)c2ccc(F)s2)c1 ZINC001565598398 1415406274 /nfs/dbraw/zinc/40/62/74/1415406274.db2.gz HZUSTNAUDDILEZ-UHFFFAOYSA-N 0 0 337.376 2.970 10 5 EFBERN CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC001565606906 1415406855 /nfs/dbraw/zinc/40/68/55/1415406855.db2.gz KTXHKPXEMTZQRR-CQSZACIVSA-N 0 0 337.420 2.787 10 5 EFBERN O=C(Nc1nc(-c2ccco2)cs1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001565626431 1415407587 /nfs/dbraw/zinc/40/75/87/1415407587.db2.gz YYMATOKRROJYDH-UHFFFAOYSA-N 0 0 339.720 2.940 10 5 EFBERN CCCCCC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)OCC ZINC001565670197 1415409271 /nfs/dbraw/zinc/40/92/71/1415409271.db2.gz LPODXQJQPZDCEF-INIZCTEOSA-N 0 0 339.392 2.945 10 5 EFBERN Cc1ncsc1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001565670915 1415410021 /nfs/dbraw/zinc/41/00/21/1415410021.db2.gz HTESBWREAYZHNM-UHFFFAOYSA-N 0 0 343.368 2.680 10 5 EFBERN CCn1c(=O)[nH]c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc21 ZINC001565771075 1415414923 /nfs/dbraw/zinc/41/49/23/1415414923.db2.gz DOKWDOZTEUZRNA-UHFFFAOYSA-N 0 0 340.339 2.600 10 5 EFBERN O=C(Nc1ccc2c(c1)CC(=O)N2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001565776016 1415415602 /nfs/dbraw/zinc/41/56/02/1415415602.db2.gz WRBAZUOPOMJBIP-LSDHHAIUSA-N 0 0 337.335 2.832 10 5 EFBERN O=C(c1cc(F)c[nH]c1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001565799857 1415416876 /nfs/dbraw/zinc/41/68/76/1415416876.db2.gz PKVMPJFZRYDPCO-HNNXBMFYSA-N 0 0 349.343 2.722 10 5 EFBERN COC(=O)c1cc(NC(=O)Cc2cccnc2Cl)cc([N+](=O)[O-])c1 ZINC001565983582 1415470290 /nfs/dbraw/zinc/47/02/90/1415470290.db2.gz LWCLBKCVXVDVPH-UHFFFAOYSA-N 0 0 349.730 2.611 10 5 EFBERN CCCn1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)cn1 ZINC001566007510 1415481035 /nfs/dbraw/zinc/48/10/35/1415481035.db2.gz CVVLPZGPHUOPII-UHFFFAOYSA-N 0 0 346.343 2.615 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC001566028602 1415487067 /nfs/dbraw/zinc/48/70/67/1415487067.db2.gz YOJOKBTZOZJKFR-UHFFFAOYSA-N 0 0 346.293 2.988 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cnn3c2NC[C@H](C)C3)cc1[N+](=O)[O-] ZINC001566126300 1415525023 /nfs/dbraw/zinc/52/50/23/1415525023.db2.gz MBFYRUZRFICVDC-JQWIXIFHSA-N 0 0 343.387 2.652 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cnn3c2NC[C@H](C)C3)cc1[N+](=O)[O-] ZINC001566126299 1415525234 /nfs/dbraw/zinc/52/52/34/1415525234.db2.gz MBFYRUZRFICVDC-CMPLNLGQSA-N 0 0 343.387 2.652 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)n1 ZINC001566208858 1415535109 /nfs/dbraw/zinc/53/51/09/1415535109.db2.gz PHCGLYMZSQQNEG-DZGCQCFKSA-N 0 0 331.372 2.662 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001566286632 1415538262 /nfs/dbraw/zinc/53/82/62/1415538262.db2.gz IQFRAPVYWGHFAD-CXAGYDPISA-N 0 0 326.356 2.859 10 5 EFBERN CN(Cc1cccc(O)c1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001566303357 1415539656 /nfs/dbraw/zinc/53/96/56/1415539656.db2.gz JMMXJNKZISWQGJ-UHFFFAOYSA-N 0 0 342.351 2.922 10 5 EFBERN COc1ccc([C@H](O)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC001566332332 1415540900 /nfs/dbraw/zinc/54/09/00/1415540900.db2.gz CQHQYKCCATVBHF-MRXNPFEDSA-N 0 0 344.367 2.684 10 5 EFBERN C[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001566371824 1415543349 /nfs/dbraw/zinc/54/33/49/1415543349.db2.gz APZHGOSPSCUOAE-NSHDSACASA-N 0 0 332.331 2.729 10 5 EFBERN CC(C)[C@@H](CCO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001566376762 1415544237 /nfs/dbraw/zinc/54/42/37/1415544237.db2.gz YGDIHPNZJHQZLF-OAHLLOKOSA-N 0 0 343.383 2.794 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001566416247 1415545675 /nfs/dbraw/zinc/54/56/75/1415545675.db2.gz MCUFWEWZEGSTPN-QMMMGPOBSA-N 0 0 338.751 2.750 10 5 EFBERN CNc1nccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c1[N+](=O)[O-] ZINC001566569033 1415651529 /nfs/dbraw/zinc/65/15/29/1415651529.db2.gz ISTQXTRYBCJQHE-UHFFFAOYSA-N 0 0 338.327 2.674 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC001566680650 1415728499 /nfs/dbraw/zinc/72/84/99/1415728499.db2.gz HKTVPDRRCYKNJX-SFHVURJKSA-N 0 0 344.342 2.606 10 5 EFBERN Cc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)cn1 ZINC001566914413 1415841315 /nfs/dbraw/zinc/84/13/15/1415841315.db2.gz YOFVIUIVNLOASF-UHFFFAOYSA-N 0 0 326.356 2.566 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001566955948 1415868812 /nfs/dbraw/zinc/86/88/12/1415868812.db2.gz FMHKFFOOINPAEK-GFCCVEGCSA-N 0 0 345.742 2.888 10 5 EFBERN CC(C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001566976141 1415885771 /nfs/dbraw/zinc/88/57/71/1415885771.db2.gz RNUFYJAZVDVHMS-DZFIZOCASA-N 0 0 345.443 2.968 10 5 EFBERN CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC001566991916 1415892715 /nfs/dbraw/zinc/89/27/15/1415892715.db2.gz DANJULWDHLGXSJ-UHFFFAOYSA-N 0 0 325.683 2.765 10 5 EFBERN CN(CCc1ccc(Cl)cc1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001567030167 1415906230 /nfs/dbraw/zinc/90/62/30/1415906230.db2.gz OGPZZVQKFAJACE-INIZCTEOSA-N 0 0 348.786 2.983 10 5 EFBERN CN(CCc1ccc(Cl)cc1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001567030168 1415906336 /nfs/dbraw/zinc/90/63/36/1415906336.db2.gz OGPZZVQKFAJACE-MRXNPFEDSA-N 0 0 348.786 2.983 10 5 EFBERN CN(CCNC(=O)c1occ2c1CCC2)Cc1csc([N+](=O)[O-])c1 ZINC001567295848 1416062021 /nfs/dbraw/zinc/06/20/21/1416062021.db2.gz WNDVTDQEHQZUNJ-UHFFFAOYSA-N 0 0 349.412 2.600 10 5 EFBERN CCN(CCNC(=O)c1c[nH]cc1C)Cc1csc([N+](=O)[O-])c1 ZINC001567351654 1416085298 /nfs/dbraw/zinc/08/52/98/1416085298.db2.gz FCMLNUZRHWEGOF-UHFFFAOYSA-N 0 0 336.417 2.545 10 5 EFBERN CCc1ccc2c(c1)[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])CCO2 ZINC001567375781 1416102223 /nfs/dbraw/zinc/10/22/23/1416102223.db2.gz NZBDUXJCBQOVLH-CQSZACIVSA-N 0 0 341.367 2.993 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[Si](C)(C)c2ccccc2)c1 ZINC001567429531 1416135068 /nfs/dbraw/zinc/13/50/68/1416135068.db2.gz ZBNIMJOVXFXZGQ-UHFFFAOYSA-N 0 0 328.444 2.788 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[Si](C)(C)c1ccccc1 ZINC001567429305 1416135166 /nfs/dbraw/zinc/13/51/66/1416135166.db2.gz VWNHUAOSWVWIHZ-UHFFFAOYSA-N 0 0 328.444 2.788 10 5 EFBERN C/C=C\C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OCC ZINC001567433970 1416136511 /nfs/dbraw/zinc/13/65/11/1416136511.db2.gz SXCBHXMJQYLULZ-KTLBGCOUSA-N 0 0 340.763 2.876 10 5 EFBERN Cc1c(CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)cccc1[N+](=O)[O-] ZINC001567605893 1416207187 /nfs/dbraw/zinc/20/71/87/1416207187.db2.gz NRIYECQHHCQAHM-SNVBAGLBSA-N 0 0 328.372 2.681 10 5 EFBERN Cc1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c(C)c1O ZINC001567785389 1416284123 /nfs/dbraw/zinc/28/41/23/1416284123.db2.gz VAPZMRCMCBQZHU-INIZCTEOSA-N 0 0 330.340 2.898 10 5 EFBERN CCC(CC)CC(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001567844682 1416295731 /nfs/dbraw/zinc/29/57/31/1416295731.db2.gz YWWFLZUXOBESIL-UHFFFAOYSA-N 0 0 333.432 2.969 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CC1CCCC1 ZINC001568009571 1416358430 /nfs/dbraw/zinc/35/84/30/1416358430.db2.gz WSUFONINGHAIJV-GFCCVEGCSA-N 0 0 338.429 2.988 10 5 EFBERN CCC(=O)NCCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001568122843 1416418498 /nfs/dbraw/zinc/41/84/98/1416418498.db2.gz BSUJNEDYXZXLIZ-UHFFFAOYSA-N 0 0 325.434 2.785 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CO)[C@H]1C ZINC001568203467 1416440248 /nfs/dbraw/zinc/44/02/48/1416440248.db2.gz FKDCKDREDPHXMC-VXGBXAGGSA-N 0 0 338.429 2.940 10 5 EFBERN COCc1csc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001568236227 1416451084 /nfs/dbraw/zinc/45/10/84/1416451084.db2.gz GEDGCPJHRNEWMZ-UHFFFAOYSA-N 0 0 346.368 2.609 10 5 EFBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](O)c1ccccc1 ZINC001568360419 1416491972 /nfs/dbraw/zinc/49/19/72/1416491972.db2.gz KCPNLFYTRSLPNY-IRXDYDNUSA-N 0 0 343.383 2.665 10 5 EFBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](O)c1ccccc1 ZINC001568360420 1416491984 /nfs/dbraw/zinc/49/19/84/1416491984.db2.gz KCPNLFYTRSLPNY-SJORKVTESA-N 0 0 343.383 2.665 10 5 EFBERN COc1ccccc1C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001568385074 1416505601 /nfs/dbraw/zinc/50/56/01/1416505601.db2.gz XMTKGNGHCDYKLM-NSHDSACASA-N 0 0 329.356 2.547 10 5 EFBERN O=C(NCC1(C2(O)CCC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001645760198 1416552834 /nfs/dbraw/zinc/55/28/34/1416552834.db2.gz YQNJWLWCJVINPX-UHFFFAOYSA-N 0 0 329.356 2.501 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)c1cccc(F)c1 ZINC001645851438 1416574248 /nfs/dbraw/zinc/57/42/48/1416574248.db2.gz PDZCMEXXDPVWSB-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN O=C(N[C@@H](CO)c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])o1 ZINC001645877846 1416578488 /nfs/dbraw/zinc/57/84/88/1416578488.db2.gz NLWBHJGLCLRGRR-VIFPVBQESA-N 0 0 345.138 2.958 10 5 EFBERN C[C@]1(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCCCO1 ZINC001645895076 1416581334 /nfs/dbraw/zinc/58/13/34/1416581334.db2.gz DBTLLTLEFGOVIN-CQSZACIVSA-N 0 0 327.768 2.519 10 5 EFBERN C[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1N)C1CCCCC1 ZINC001646118720 1416615873 /nfs/dbraw/zinc/61/58/73/1416615873.db2.gz HMPCAUSPJQYPGG-JOCHJYFZSA-N 0 0 325.390 2.748 10 5 EFBERN Cc1[nH]nc(C(=O)N(C)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC001646176272 1416625660 /nfs/dbraw/zinc/62/56/60/1416625660.db2.gz MLPBTBYUKNRUMH-UHFFFAOYSA-N 0 0 339.149 2.665 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)c(N)c1[N+](=O)[O-] ZINC001646259493 1416639430 /nfs/dbraw/zinc/63/94/30/1416639430.db2.gz NGKVVULECYDJEO-CYBMUJFWSA-N 0 0 331.303 2.567 10 5 EFBERN Cc1ccc(NC(=O)c2coc(-c3cccnc3)n2)c(N)c1[N+](=O)[O-] ZINC001646259485 1416639511 /nfs/dbraw/zinc/63/95/11/1416639511.db2.gz NDAIPDHXOITJLD-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c(N)c1[N+](=O)[O-] ZINC001646258685 1416639558 /nfs/dbraw/zinc/63/95/58/1416639558.db2.gz GHWPSEBHXQBKMG-SNVBAGLBSA-N 0 0 332.385 3.000 10 5 EFBERN COC(=O)C1(CCCCNC(=O)c2cc([N+](=O)[O-])cc(C)n2)CCC1 ZINC001646391988 1416655588 /nfs/dbraw/zinc/65/55/88/1416655588.db2.gz GDHRNQBHPMLYPF-UHFFFAOYSA-N 0 0 349.387 2.542 10 5 EFBERN CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001683181864 1416679112 /nfs/dbraw/zinc/67/91/12/1416679112.db2.gz NABBNUNQXJYPIY-FUHWJXTLSA-N 0 0 346.431 2.861 10 5 EFBERN C[C@@H](NC(=O)NCC1(O)CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001684042743 1416691596 /nfs/dbraw/zinc/69/15/96/1416691596.db2.gz JEXIAIUBTZLBOC-UIORMTCPSA-N 0 0 335.404 2.896 10 5 EFBERN CC(C)c1nnc([C@@H](C)NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001684043702 1416691758 /nfs/dbraw/zinc/69/17/58/1416691758.db2.gz WUESPXLIBACDPG-GHMZBOCLSA-N 0 0 346.391 2.958 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001684043328 1416691848 /nfs/dbraw/zinc/69/18/48/1416691848.db2.gz RLYDORJOHKRZHI-NEPJUHHUSA-N 0 0 339.392 2.743 10 5 EFBERN CC(C)c1nnc([C@H](C)NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001684043703 1416691860 /nfs/dbraw/zinc/69/18/60/1416691860.db2.gz WUESPXLIBACDPG-MNOVXSKESA-N 0 0 346.391 2.958 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001684664344 1416727265 /nfs/dbraw/zinc/72/72/65/1416727265.db2.gz PPZJOGGKAIAPNH-RRQGHBQHSA-N 0 0 344.415 2.615 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC1(CC2CC2)CC1 ZINC001684998676 1416739411 /nfs/dbraw/zinc/73/94/11/1416739411.db2.gz SITSOWFDZVKEKL-UHFFFAOYSA-N 0 0 332.404 2.886 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CO)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001685148376 1416750885 /nfs/dbraw/zinc/75/08/85/1416750885.db2.gz DSUMORRFRWBICL-BZNIZROVSA-N 0 0 347.346 2.828 10 5 EFBERN C[C@@H](CNC(=O)N[C@@H](CO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001685447367 1416763898 /nfs/dbraw/zinc/76/38/98/1416763898.db2.gz ISIDBQDVXSFPJL-WFASDCNBSA-N 0 0 335.404 2.549 10 5 EFBERN Cc1noc([C@H](C)N(C)C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001685447128 1416763981 /nfs/dbraw/zinc/76/39/81/1416763981.db2.gz DAOPESSWCIKWEI-MNOVXSKESA-N 0 0 347.375 2.792 10 5 EFBERN C[C@H](CNC(=O)N1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC001685448198 1416764137 /nfs/dbraw/zinc/76/41/37/1416764137.db2.gz YKYIAQGGMWSILI-LLVKDONJSA-N 0 0 329.360 2.584 10 5 EFBERN C[C@@H](CNC(=O)NC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001685528971 1416766403 /nfs/dbraw/zinc/76/64/03/1416766403.db2.gz YWPPACOWVKTHRE-GUYCJALGSA-N 0 0 343.383 2.731 10 5 EFBERN CC[C@H](C)[C@@](C)(O)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001685527995 1416766495 /nfs/dbraw/zinc/76/64/95/1416766495.db2.gz NVIPMJRUDSSVEG-IGCXYCKISA-N 0 0 337.420 2.795 10 5 EFBERN CC[C@@H](C[C@H](C)O)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001685896568 1416777023 /nfs/dbraw/zinc/77/70/23/1416777023.db2.gz PZUCIOLJNLRFJX-GWCFXTLKSA-N 0 0 343.811 2.639 10 5 EFBERN CCc1onc(C)c1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001687704496 1416862745 /nfs/dbraw/zinc/86/27/45/1416862745.db2.gz BVNPGRCDJGBJFV-UHFFFAOYSA-N 0 0 346.387 2.838 10 5 EFBERN Cc1nnc([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001687871205 1416889806 /nfs/dbraw/zinc/88/98/06/1416889806.db2.gz NGUCQACXHBYGRZ-VIFPVBQESA-N 0 0 333.348 2.582 10 5 EFBERN CN(CCNC(=O)C1(C)CC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC001689819513 1417080945 /nfs/dbraw/zinc/08/09/45/1417080945.db2.gz ZDSFNJUGTDNKMB-UHFFFAOYSA-N 0 0 327.331 2.583 10 5 EFBERN CN(CCNC(=O)C(C)(C)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC001689819197 1417081133 /nfs/dbraw/zinc/08/11/33/1417081133.db2.gz FVTNEDAAHYYFPD-UHFFFAOYSA-N 0 0 333.310 2.736 10 5 EFBERN CN(CCNC(=O)C1(C)C(C)(C)C1(C)C)c1ccc([N+](=O)[O-])cn1 ZINC001690127122 1417160235 /nfs/dbraw/zinc/16/02/35/1417160235.db2.gz CRCXDNFQFVFOMD-UHFFFAOYSA-N 0 0 334.420 2.615 10 5 EFBERN Cc1c(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC001690129653 1417161685 /nfs/dbraw/zinc/16/16/85/1417161685.db2.gz GCFOGSYSBUHYAL-UHFFFAOYSA-N 0 0 345.403 2.547 10 5 EFBERN CC(C)(C(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001692328454 1417277545 /nfs/dbraw/zinc/27/75/45/1417277545.db2.gz ZQHKOJBUUFKWPK-UHFFFAOYSA-N 0 0 331.416 2.579 10 5 EFBERN CN(CCNC(=O)CCC(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001713457933 1418543088 /nfs/dbraw/zinc/54/30/88/1418543088.db2.gz SFUUXPKZVJWHDT-UHFFFAOYSA-N 0 0 329.347 2.578 10 5 EFBERN CN(CCNC(=O)Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC001713474862 1418549087 /nfs/dbraw/zinc/54/90/87/1418549087.db2.gz DURQPOHFEUXFNR-UHFFFAOYSA-N 0 0 345.374 2.525 10 5 EFBERN O=C(NC/C=C/CNCc1csc([N+](=O)[O-])c1)c1ccsc1 ZINC001716263388 1418747464 /nfs/dbraw/zinc/74/74/64/1418747464.db2.gz BOYJVZHPVNVCGX-OWOJBTEDSA-N 0 0 337.426 2.794 10 5 EFBERN CC(C)=CC(=O)N(C)CCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001717203869 1419264805 /nfs/dbraw/zinc/26/48/05/1419264805.db2.gz HVRPXPVPDHEOOP-UHFFFAOYSA-N 0 0 325.434 2.903 10 5 EFBERN CC(C)CCC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001723492391 1424513079 /nfs/dbraw/zinc/51/30/79/1424513079.db2.gz STCVEGAOTWWPNU-UHFFFAOYSA-N 0 0 325.434 2.831 10 5 EFBERN CCCC1(C(=O)N(C)C2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001723794687 1424580839 /nfs/dbraw/zinc/58/08/39/1424580839.db2.gz JMAIIHVGXIBOMZ-UHFFFAOYSA-N 0 0 331.416 2.818 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000890592977 713096022 /nfs/dbraw/zinc/09/60/22/713096022.db2.gz SAVNBFRCCJYQJT-CABCVRRESA-N 0 0 348.399 2.764 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000254950652 713141090 /nfs/dbraw/zinc/14/10/90/713141090.db2.gz NAJSQEFTYPQNGE-WOLRVDTOSA-N 0 0 336.388 2.990 10 5 EFBERN COC(=O)/C=C\c1ccc(NCCc2nccs2)c([N+](=O)[O-])c1 ZINC000254976036 713179092 /nfs/dbraw/zinc/17/90/92/713179092.db2.gz WZEFMULEUOOWRZ-HYXAFXHYSA-N 0 0 333.369 2.892 10 5 EFBERN O=C(NCC1(CCO)CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120596058 713285286 /nfs/dbraw/zinc/28/52/86/713285286.db2.gz YAYQCGBUHXRFKK-UHFFFAOYSA-N 0 0 327.768 2.922 10 5 EFBERN O=C(Cn1cc(-c2ccccc2)nn1)OCc1cccc([N+](=O)[O-])c1 ZINC000134640728 713290577 /nfs/dbraw/zinc/29/05/77/713290577.db2.gz ZGURKDVQILCGJW-UHFFFAOYSA-N 0 0 338.323 2.597 10 5 EFBERN C[C@@H](Cc1ccc(Br)cc1)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813103368 713520892 /nfs/dbraw/zinc/52/08/92/713520892.db2.gz PNQIVSGFWUHTEQ-UWVGGRQHSA-N 0 0 330.178 2.836 10 5 EFBERN Cc1ccc(NC[C@@]2(O)CCO[C@@H]2C)c([N+](=O)[O-])c1Br ZINC000804673842 713394636 /nfs/dbraw/zinc/39/46/36/713394636.db2.gz LLASXPSTYCCAEA-RNCFNFMXSA-N 0 0 345.193 2.618 10 5 EFBERN Cc1ccc(NC[C@]2(O)CCO[C@@H]2C)c([N+](=O)[O-])c1Br ZINC000804673839 713394709 /nfs/dbraw/zinc/39/47/09/713394709.db2.gz LLASXPSTYCCAEA-NOZJJQNGSA-N 0 0 345.193 2.618 10 5 EFBERN CCC[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H](O)c1ccccc1 ZINC000804680154 713407638 /nfs/dbraw/zinc/40/76/38/713407638.db2.gz OHYHMRVOUWCUDN-FUHWJXTLSA-N 0 0 345.399 2.984 10 5 EFBERN Cc1ccncc1N1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804685060 713413879 /nfs/dbraw/zinc/41/38/79/713413879.db2.gz DEAOCJIDYRYVCW-UHFFFAOYSA-N 0 0 343.343 2.533 10 5 EFBERN CO[C@H]1COCC[C@H]1CC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000838011996 713421475 /nfs/dbraw/zinc/42/14/75/713421475.db2.gz MPGFHMKRDRUDSY-HZMBPMFUSA-N 0 0 343.763 2.733 10 5 EFBERN O=[N+]([O-])c1c(NCc2ccnc(OC(F)F)c2)nc2ccccn21 ZINC000804714389 713449007 /nfs/dbraw/zinc/44/90/07/713449007.db2.gz NACILHJAIAWEBV-UHFFFAOYSA-N 0 0 335.270 2.851 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2ccnc(OC(F)F)c2)c2nonc21 ZINC000804714151 713449056 /nfs/dbraw/zinc/44/90/56/713449056.db2.gz CAUKGAZKLWCCOI-UHFFFAOYSA-N 0 0 337.242 2.740 10 5 EFBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCCOC2 ZINC000804717072 713449537 /nfs/dbraw/zinc/44/95/37/713449537.db2.gz XYJLJSCOTSAKDV-QGZVFWFLSA-N 0 0 347.371 2.558 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000890764549 713452371 /nfs/dbraw/zinc/45/23/71/713452371.db2.gz TUZAGXZYYRPKJI-DGCLKSJQSA-N 0 0 332.356 2.841 10 5 EFBERN O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000120868792 713463383 /nfs/dbraw/zinc/46/33/83/713463383.db2.gz UOPHXIOTAVEHOB-UHFFFAOYSA-N 0 0 340.763 2.854 10 5 EFBERN Cc1cc(N[C@@H](C)C2(S(C)(=O)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000804812312 713478904 /nfs/dbraw/zinc/47/89/04/713478904.db2.gz MHINLXQWRNSKSJ-VIFPVBQESA-N 0 0 332.809 2.934 10 5 EFBERN Cc1ccc(O[C@@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-])c(Br)c1 ZINC000813103276 713520695 /nfs/dbraw/zinc/52/06/95/713520695.db2.gz BKXWEHYZPXPBSR-ZJUUUORDSA-N 0 0 346.177 2.733 10 5 EFBERN Cc1ccc(CCC(=O)OC[C@@H](C)[N+](=O)[O-])c(Br)c1 ZINC000813107915 713537122 /nfs/dbraw/zinc/53/71/22/713537122.db2.gz ROELXMSZPSQIIK-SNVBAGLBSA-N 0 0 330.178 2.899 10 5 EFBERN C[C@H](COC(=O)CCc1ccc(Br)cc1F)[N+](=O)[O-] ZINC000813111506 713554487 /nfs/dbraw/zinc/55/44/87/713554487.db2.gz IPIOUUICXDUDCK-MRVPVSSYSA-N 0 0 334.141 2.729 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](c2ncccn2)C1 ZINC000924330714 713624985 /nfs/dbraw/zinc/62/49/85/713624985.db2.gz JCIVALOZQQPXHZ-NSHDSACASA-N 0 0 330.319 2.544 10 5 EFBERN Cn1ncc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC000804849332 713853402 /nfs/dbraw/zinc/85/34/02/713853402.db2.gz KAYWJBDIOCFLNX-UHFFFAOYSA-N 0 0 328.307 2.537 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000924347963 714275937 /nfs/dbraw/zinc/27/59/37/714275937.db2.gz GMWOHGMWPSRUSN-ZBFHGGJFSA-N 0 0 335.356 2.994 10 5 EFBERN CN1C[C@@H](CCNc2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000723398677 714605008 /nfs/dbraw/zinc/60/50/08/714605008.db2.gz WDVRROJONFDIJR-VIFPVBQESA-N 0 0 342.193 2.638 10 5 EFBERN CN1C[C@H](CCNc2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000723398676 714605020 /nfs/dbraw/zinc/60/50/20/714605020.db2.gz WDVRROJONFDIJR-SECBINFHSA-N 0 0 342.193 2.638 10 5 EFBERN Cn1c(COc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000160973563 714682873 /nfs/dbraw/zinc/68/28/73/714682873.db2.gz DKVVYTAMDVTBFU-UHFFFAOYSA-N 0 0 338.323 2.782 10 5 EFBERN Cc1c(NC(=O)N[C@H]2CCOC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933344196 714685919 /nfs/dbraw/zinc/68/59/19/714685919.db2.gz YDBMMGMHOXHKMN-QMMMGPOBSA-N 0 0 333.266 2.832 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)/C=C\c1ccccc1 ZINC000255396435 715010049 /nfs/dbraw/zinc/01/00/49/715010049.db2.gz DPQSHTHPLLEHDM-KTKRTIGZSA-N 0 0 348.380 2.694 10 5 EFBERN C/C(=C\C(=O)N1CCC(=O)C[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000891798571 715025539 /nfs/dbraw/zinc/02/55/39/715025539.db2.gz BLBRIVHULAKMLD-DPCFLFMUSA-N 0 0 328.368 2.968 10 5 EFBERN O=C(OCCOCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000060785869 715050412 /nfs/dbraw/zinc/05/04/12/715050412.db2.gz MEELDKWMPIHXOO-UHFFFAOYSA-N 0 0 331.324 2.847 10 5 EFBERN Cc1nn(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c(C)c1[N+](=O)[O-] ZINC000161103921 715177283 /nfs/dbraw/zinc/17/72/83/715177283.db2.gz XGEXXPWRJYPIEF-MRXNPFEDSA-N 0 0 348.378 2.887 10 5 EFBERN CO[C@H]1CC[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000724122827 715189946 /nfs/dbraw/zinc/18/99/46/715189946.db2.gz UEDSGBNHAIBFBX-JQWIXIFHSA-N 0 0 329.194 2.967 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CCCN(C2CC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000924059876 715275077 /nfs/dbraw/zinc/27/50/77/715275077.db2.gz WOPNVTFDWQQBES-SMDDNHRTSA-N 0 0 332.356 2.600 10 5 EFBERN COC[C@@H](COC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000893457499 715599063 /nfs/dbraw/zinc/59/90/63/715599063.db2.gz ZTDHLBIBAWLDTR-NSHDSACASA-N 0 0 329.324 2.575 10 5 EFBERN CCO[C@@H]1C[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000176711667 715658936 /nfs/dbraw/zinc/65/89/36/715658936.db2.gz SWWFNUJCUGNOHP-KGLIPLIRSA-N 0 0 339.392 2.708 10 5 EFBERN CC(=O)N[C@@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000066878844 715674394 /nfs/dbraw/zinc/67/43/94/715674394.db2.gz HYXYDGUTICFUSG-BDJLRTHQSA-N 0 0 334.372 2.894 10 5 EFBERN Nc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000255546817 715793884 /nfs/dbraw/zinc/79/38/84/715793884.db2.gz QFBTWCWBJCXOBG-FPLPWBNLSA-N 0 0 337.332 2.729 10 5 EFBERN CC1(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCCC1 ZINC000125504448 715905851 /nfs/dbraw/zinc/90/58/51/715905851.db2.gz DDBQDZZLQQBNSI-UHFFFAOYSA-N 0 0 334.372 2.921 10 5 EFBERN COC(=O)/C=C\c1ccc(NC[C@@H](C)Cn2ccnc2)c([N+](=O)[O-])c1 ZINC000255564203 715954743 /nfs/dbraw/zinc/95/47/43/715954743.db2.gz LTVWPSRAPQUTBT-RYWCDNDXSA-N 0 0 344.371 2.726 10 5 EFBERN CC(C)C[C@@H]1COCC[C@@H]1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000893485847 715977360 /nfs/dbraw/zinc/97/73/60/715977360.db2.gz WVTPPMFKCAWINF-CJNGLKHVSA-N 0 0 337.372 2.968 10 5 EFBERN CC(C)C[C@H]1COCC[C@H]1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000893485849 715977590 /nfs/dbraw/zinc/97/75/90/715977590.db2.gz WVTPPMFKCAWINF-XJKSGUPXSA-N 0 0 337.372 2.968 10 5 EFBERN O=[N+]([O-])c1ccc(Br)c(OC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724655456 716020920 /nfs/dbraw/zinc/02/09/20/716020920.db2.gz DVEUGGYZXDLZKU-DVYJOKAKSA-N 0 0 344.161 2.540 10 5 EFBERN Cc1nn(CCC(=O)Nc2ccnn2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000248037535 716024688 /nfs/dbraw/zinc/02/46/88/716024688.db2.gz RIPVFQLYGSNXQI-UHFFFAOYSA-N 0 0 346.391 2.749 10 5 EFBERN CCNc1ccc(C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894731575 722830309 /nfs/dbraw/zinc/83/03/09/722830309.db2.gz LUTWVAYFVJFNCK-CJNGLKHVSA-N 0 0 333.388 2.668 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000894732380 722830409 /nfs/dbraw/zinc/83/04/09/722830409.db2.gz IUPPMLXJCAECLW-GUYCJALGSA-N 0 0 345.399 2.810 10 5 EFBERN Cc1nn(CCC(=O)OC[C@H](C)[C@@H]2CCCCO2)c(C)c1[N+](=O)[O-] ZINC000893503010 716199386 /nfs/dbraw/zinc/19/93/86/716199386.db2.gz DWNFOCZEZDWWKC-FZMZJTMJSA-N 0 0 339.392 2.547 10 5 EFBERN COc1ccc(CC(=O)OC[C@@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000893503667 716203631 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ZINC000894228885 721338252 /nfs/dbraw/zinc/33/82/52/721338252.db2.gz IKHYXAXTSIJGKI-UHFFFAOYSA-N 0 0 341.367 2.651 10 5 EFBERN O=C(COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000109370831 724768911 /nfs/dbraw/zinc/76/89/11/724768911.db2.gz WVDVSEISLXJHSI-UHFFFAOYSA-N 0 0 347.245 2.672 10 5 EFBERN COCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000016197821 721756299 /nfs/dbraw/zinc/75/62/99/721756299.db2.gz NBWQDHXXLVVVNU-SNVBAGLBSA-N 0 0 348.311 2.518 10 5 EFBERN Cc1n[nH]c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159050943 721759934 /nfs/dbraw/zinc/75/99/34/721759934.db2.gz NWBRXPFYYLGTCG-UHFFFAOYSA-N 0 0 339.149 2.950 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCS[C@H](C(F)(F)F)C1 ZINC000928138729 721989731 /nfs/dbraw/zinc/98/97/31/721989731.db2.gz MTCBZUXQJKYYQB-JTQLQIEISA-N 0 0 338.282 2.854 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000894296077 721990743 /nfs/dbraw/zinc/99/07/43/721990743.db2.gz GLIWUUXFDXIACH-SJKOYZFVSA-N 0 0 328.372 2.709 10 5 EFBERN C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nnc(-c2ccccc2F)s1 ZINC000840672907 722058614 /nfs/dbraw/zinc/05/86/14/722058614.db2.gz FIAZFJQBYQTLIS-BCMRRPTOSA-N 0 0 337.332 2.614 10 5 EFBERN COC(=O)c1cnc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000894315364 722076692 /nfs/dbraw/zinc/07/66/92/722076692.db2.gz DXJYDKKTOKQZHY-JTQLQIEISA-N 0 0 335.385 2.997 10 5 EFBERN Cn1nccc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000928378145 722675574 /nfs/dbraw/zinc/67/55/74/722675574.db2.gz KXATWHXZDGPCNO-CQSZACIVSA-N 0 0 334.763 2.959 10 5 EFBERN COc1cc(C(=O)NCC[C@@H]2CC(C)(C)CO2)cc([N+](=O)[O-])c1C ZINC000894500903 722762056 /nfs/dbraw/zinc/76/20/56/722762056.db2.gz RNIQXFXUHRNNQJ-CYBMUJFWSA-N 0 0 336.388 2.847 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000917598266 728764156 /nfs/dbraw/zinc/76/41/56/728764156.db2.gz JLVCNRIIIDMMNC-XCBNKYQSSA-N 0 0 332.234 2.613 10 5 EFBERN COc1ccc(C(=O)NC[C@H]2CCC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000894530964 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C[C@H](C(=O)N1CC[C@H]([C@@H]2CCCO2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000894706428 722824864 /nfs/dbraw/zinc/82/48/64/722824864.db2.gz WNLWELZWYJIPIX-MKBNYLNASA-N 0 0 336.363 2.865 10 5 EFBERN CSc1ccc(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894736373 722831146 /nfs/dbraw/zinc/83/11/46/722831146.db2.gz ZHJRKKLVEYGDTB-GXTWGEPZSA-N 0 0 336.413 2.958 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894722008 722831679 /nfs/dbraw/zinc/83/16/79/722831679.db2.gz YOYKIJIRVLIORQ-SMDDNHRTSA-N 0 0 330.340 2.982 10 5 EFBERN COC(=O)N[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000894756741 722837619 /nfs/dbraw/zinc/83/76/19/722837619.db2.gz MKGSNNIZMSKLFZ-AWEZNQCLSA-N 0 0 349.390 2.959 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000894798321 722850034 /nfs/dbraw/zinc/85/00/34/722850034.db2.gz BFDPKDAIBXGPAA-CQSZACIVSA-N 0 0 334.372 2.755 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000894798607 722850198 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CC(=O)c1cc(NC[C@H]2CCC3(CCOCC3)O2)ccc1[N+](=O)[O-] ZINC000896177198 723180204 /nfs/dbraw/zinc/18/02/04/723180204.db2.gz DTMGAEFGDCIOAS-CQSZACIVSA-N 0 0 334.372 2.938 10 5 EFBERN CC(=O)c1c(NC[C@H]2CCC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000896178493 723180421 /nfs/dbraw/zinc/18/04/21/723180421.db2.gz BSNOGQWUMANIIP-CYBMUJFWSA-N 0 0 334.372 2.938 10 5 EFBERN CCOC(=O)c1oc2ccccc2c1CNc1ccncc1[N+](=O)[O-] ZINC000727829313 723185898 /nfs/dbraw/zinc/18/58/98/723185898.db2.gz MIOMLHFYUMONTQ-UHFFFAOYSA-N 0 0 341.323 2.947 10 5 EFBERN Cn1cc(Cc2noc(CCc3c(Cl)cccc3[N+](=O)[O-])n2)cn1 ZINC000923864259 728803351 /nfs/dbraw/zinc/80/33/51/728803351.db2.gz QABUGSWNMZZBAW-UHFFFAOYSA-N 0 0 347.762 2.741 10 5 EFBERN Cc1cc(C(=O)OCc2nc3ccccc3o2)c(N)c([N+](=O)[O-])c1 ZINC000727899337 723269174 /nfs/dbraw/zinc/26/91/74/723269174.db2.gz ITOJGTMSBQZVIA-UHFFFAOYSA-N 0 0 327.296 2.984 10 5 EFBERN COc1cc(C)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064241805 728808015 /nfs/dbraw/zinc/80/80/15/728808015.db2.gz CDCHZPNRLMJVOW-UHFFFAOYSA-N 0 0 329.355 2.741 10 5 EFBERN Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c([N+](=O)[O-])c1 ZINC000064244337 728813074 /nfs/dbraw/zinc/81/30/74/728813074.db2.gz RPJOATOJYRHRGM-UHFFFAOYSA-N 0 0 344.326 2.641 10 5 EFBERN C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000930003180 728813616 /nfs/dbraw/zinc/81/36/16/728813616.db2.gz PTWPOIUERLBTHT-WDEREUQCSA-N 0 0 326.780 2.817 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1nc2c(s1)COCC2 ZINC000896542286 723362026 /nfs/dbraw/zinc/36/20/26/723362026.db2.gz DAUXUXYWHQJYRK-UHFFFAOYSA-N 0 0 333.369 2.939 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000928546891 723432129 /nfs/dbraw/zinc/43/21/29/723432129.db2.gz MPCADIRXZUWTJA-SECBINFHSA-N 0 0 332.278 2.865 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCCOc1cccnc1 ZINC000126925495 723491118 /nfs/dbraw/zinc/49/11/18/723491118.db2.gz XCLQEBYWKNQUSC-UHFFFAOYSA-N 0 0 341.323 2.636 10 5 EFBERN O=[N+]([O-])c1cn(C[C@H]2CC[C@@H](C(F)(F)F)O2)nc1-c1ccccn1 ZINC000918048958 728827290 /nfs/dbraw/zinc/82/72/90/728827290.db2.gz HKJXBEMGNNPUPK-SKDRFNHKSA-N 0 0 342.277 2.963 10 5 EFBERN COc1cccc([C@@H](C)OC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000174856429 728834473 /nfs/dbraw/zinc/83/44/73/728834473.db2.gz QZBMMYWTLQZWCA-LLVKDONJSA-N 0 0 333.344 2.803 10 5 EFBERN COc1cccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000728155418 723795620 /nfs/dbraw/zinc/79/56/20/723795620.db2.gz RKTHITFAWPSTOP-UHFFFAOYSA-N 0 0 333.271 2.782 10 5 EFBERN COc1ccc(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000728162702 723805379 /nfs/dbraw/zinc/80/53/79/723805379.db2.gz DFWBIFSBTGBXJO-UHFFFAOYSA-N 0 0 345.311 2.717 10 5 EFBERN Cc1ccc(CNC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000728202290 723846232 /nfs/dbraw/zinc/84/62/32/723846232.db2.gz ZXBWEEAAIXFKGS-AWEZNQCLSA-N 0 0 339.395 2.971 10 5 EFBERN CCS(=O)(=O)c1ccc(CC(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000728230046 723856360 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336.392 2.613 10 5 EFBERN O=C(NC1(C2CC2)CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000895359589 724072224 /nfs/dbraw/zinc/07/22/24/724072224.db2.gz YNKWBHJWSAOSOM-UHFFFAOYSA-N 0 0 326.356 2.843 10 5 EFBERN COC(C)(C)[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000928597268 724124266 /nfs/dbraw/zinc/12/42/66/724124266.db2.gz PRECFMFWNYNZFE-QMMMGPOBSA-N 0 0 345.193 2.901 10 5 EFBERN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1CC(F)F ZINC000788020574 724134748 /nfs/dbraw/zinc/13/47/48/724134748.db2.gz HRJHDNMEDCXYEL-GFCCVEGCSA-N 0 0 331.338 2.895 10 5 EFBERN COC(=O)c1ncoc1CCC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000840699664 724157836 /nfs/dbraw/zinc/15/78/36/724157836.db2.gz UPJYUGWTWYSBFX-SNVBAGLBSA-N 0 0 348.311 2.606 10 5 EFBERN CCOC(=O)[C@@H]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000895593217 724218892 /nfs/dbraw/zinc/21/88/92/724218892.db2.gz ZOWPNDATXBAYSK-HACGYAERSA-N 0 0 341.367 2.778 10 5 EFBERN COC(=O)C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1C 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COc1ccc(F)c(OC)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001648298744 1089974949 /nfs/dbraw/zinc/97/49/49/1089974949.db2.gz JSVOOWUZXRIUSQ-UHFFFAOYSA-N 0 0 349.318 2.894 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3O2)c(N)c1[N+](=O)[O-] ZINC001648298073 1089976430 /nfs/dbraw/zinc/97/64/30/1089976430.db2.gz ASRUAPKVXPNUGG-CQSZACIVSA-N 0 0 327.340 2.818 10 5 EFBERN O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])s1 ZINC001583037975 1091882122 /nfs/dbraw/zinc/88/21/22/1091882122.db2.gz PBRMCCHINUZJQL-NWDGAFQWSA-N 0 0 333.369 2.701 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC001583085618 1091897182 /nfs/dbraw/zinc/89/71/82/1091897182.db2.gz YDDJPMJYABMBEP-INIZCTEOSA-N 0 0 342.351 2.937 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001583230810 1091939633 /nfs/dbraw/zinc/93/96/33/1091939633.db2.gz CPNDSSISYZKSQR-CYBMUJFWSA-N 0 0 349.730 2.594 10 5 EFBERN Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001583245595 1091941659 /nfs/dbraw/zinc/94/16/59/1091941659.db2.gz UKEWVNZYRGGKGM-CYBMUJFWSA-N 0 0 343.383 2.991 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(C(N)=O)c2)c1 ZINC001583264665 1091947377 /nfs/dbraw/zinc/94/73/77/1091947377.db2.gz SYGGBXNELNDSSA-UHFFFAOYSA-N 0 0 345.380 2.976 10 5 EFBERN CC[C@@H]1CCC[C@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583282896 1091951214 /nfs/dbraw/zinc/95/12/14/1091951214.db2.gz CGMWZGJSQMXKIN-OCCSQVGLSA-N 0 0 343.387 2.732 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C(C)=C\c1ccccn1 ZINC001583325511 1091966701 /nfs/dbraw/zinc/96/67/01/1091966701.db2.gz LGABRCANDZQPNS-XFXZXTDPSA-N 0 0 327.340 2.718 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccnc(CO)c1 ZINC001583366331 1091979705 /nfs/dbraw/zinc/97/97/05/1091979705.db2.gz NXTSVDNZICDPNI-UHFFFAOYSA-N 0 0 329.356 2.533 10 5 EFBERN COCc1ccnc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001583392815 1091988853 /nfs/dbraw/zinc/98/88/53/1091988853.db2.gz UWKWYZQMSUXSEA-UHFFFAOYSA-N 0 0 343.339 2.738 10 5 EFBERN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001583394918 1091989206 /nfs/dbraw/zinc/98/92/06/1091989206.db2.gz ZAVQCQKCNPPQTA-BETUJISGSA-N 0 0 349.431 2.787 10 5 EFBERN COc1ccc(NC(C)=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001583409207 1091993988 /nfs/dbraw/zinc/99/39/88/1091993988.db2.gz ZWWYBISMUPYJRD-UHFFFAOYSA-N 0 0 347.302 2.953 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](c2nccs2)C1 ZINC001583428192 1091999240 /nfs/dbraw/zinc/99/92/40/1091999240.db2.gz OBVBDPHFJGKFMK-SECBINFHSA-N 0 0 343.368 2.557 10 5 EFBERN O=C(Nc1ccccc1Sc1ncccn1)c1cc([N+](=O)[O-])n[nH]1 ZINC001583481878 1092013513 /nfs/dbraw/zinc/01/35/13/1092013513.db2.gz WWOUPZPPOTVXFI-UHFFFAOYSA-N 0 0 342.340 2.511 10 5 EFBERN Cn1cnc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC001583520210 1092024243 /nfs/dbraw/zinc/02/42/43/1092024243.db2.gz PNQORVIZOZGAOJ-HWKANZROSA-N 0 0 340.261 2.999 10 5 EFBERN Cc1cc(C)c2c(c1)N(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC001583522378 1092025606 /nfs/dbraw/zinc/02/56/06/1092025606.db2.gz DEARXEGGVBZLBZ-UHFFFAOYSA-N 0 0 327.340 2.833 10 5 EFBERN COc1cccc(C(=O)NCc2ccc(C)nc2Cl)c1[N+](=O)[O-] ZINC001583533068 1092029700 /nfs/dbraw/zinc/02/97/00/1092029700.db2.gz RVIZHMNZVOGNHN-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC001583562109 1092038371 /nfs/dbraw/zinc/03/83/71/1092038371.db2.gz FXKAOWAUFWBQDD-MGPLVRAMSA-N 0 0 348.330 2.594 10 5 EFBERN COc1cc(C)nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001583603551 1092048475 /nfs/dbraw/zinc/04/84/75/1092048475.db2.gz JFRUEMYFEOGUMH-UHFFFAOYSA-N 0 0 328.284 2.700 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Oc2cc(C)c(C(C)=O)c(C)c2)n1 ZINC001583650527 1092054966 /nfs/dbraw/zinc/05/49/66/1092054966.db2.gz QFNXEGUFCUFCLJ-UHFFFAOYSA-N 0 0 331.328 2.850 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC001583673426 1092056322 /nfs/dbraw/zinc/05/63/22/1092056322.db2.gz DGBZHBDWXXNWDD-UHFFFAOYSA-N 0 0 347.268 2.684 10 5 EFBERN O=C(N[C@@H]1CCC2(C1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001583671902 1092056548 /nfs/dbraw/zinc/05/65/48/1092056548.db2.gz HLWGZTOIDBGKNB-LLVKDONJSA-N 0 0 348.380 2.835 10 5 EFBERN CC(=O)c1ccsc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001583715784 1092061017 /nfs/dbraw/zinc/06/10/17/1092061017.db2.gz WJIMVBWNTXNSDJ-UHFFFAOYSA-N 0 0 348.336 2.882 10 5 EFBERN Cc1ccc(C(=O)Nc2cccc3c2CN(C)C3=O)cc1[N+](=O)[O-] ZINC001583729685 1092062544 /nfs/dbraw/zinc/06/25/44/1092062544.db2.gz KGKRWMVLSLIQSB-UHFFFAOYSA-N 0 0 325.324 2.741 10 5 EFBERN CCOC(=O)c1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001583772683 1092066940 /nfs/dbraw/zinc/06/69/40/1092066940.db2.gz GIEKKLCNYMESOG-UHFFFAOYSA-N 0 0 335.291 2.501 10 5 EFBERN COC(=O)c1ccc(/C=C\C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001583792761 1092070091 /nfs/dbraw/zinc/07/00/91/1092070091.db2.gz WOUASYZSLMQUFN-HIJJYWJESA-N 0 0 344.323 2.865 10 5 EFBERN O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001583851341 1092078039 /nfs/dbraw/zinc/07/80/39/1092078039.db2.gz MDTHESKGBKUHLU-YPMHNXCESA-N 0 0 332.356 2.880 10 5 EFBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001583897049 1092082775 /nfs/dbraw/zinc/08/27/75/1092082775.db2.gz FEQYDZRZWFFLDL-UHFFFAOYSA-N 0 0 341.154 2.823 10 5 EFBERN CC[C@H](OC(=O)c1cnc2c(c1)nnn2C)c1cccc([N+](=O)[O-])c1 ZINC001583949852 1092088829 /nfs/dbraw/zinc/08/88/29/1092088829.db2.gz RMSCVFPLDCGQTK-AWEZNQCLSA-N 0 0 341.327 2.580 10 5 EFBERN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001583970535 1092091445 /nfs/dbraw/zinc/09/14/45/1092091445.db2.gz WBNOBEJSDMHWLC-UHFFFAOYSA-N 0 0 339.351 2.752 10 5 EFBERN C[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001584212521 1092128331 /nfs/dbraw/zinc/12/83/31/1092128331.db2.gz DAPCMQQSXJIUJL-ZWNOBZJWSA-N 0 0 331.328 2.925 10 5 EFBERN CC[C@@H](OC(=O)c1noc2c1COCC2)c1cccc([N+](=O)[O-])c1 ZINC001584249913 1092132311 /nfs/dbraw/zinc/13/23/11/1092132311.db2.gz GREQSAXTBYFIDS-CYBMUJFWSA-N 0 0 332.312 2.964 10 5 EFBERN CC[C@@H](OC(=O)c1cccc(C(=O)NC)n1)c1cccc([N+](=O)[O-])c1 ZINC001584251019 1092132317 /nfs/dbraw/zinc/13/23/17/1092132317.db2.gz SCRAOWFACYXLCI-OAHLLOKOSA-N 0 0 343.339 2.658 10 5 EFBERN CC1(C)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCc2ccccc21 ZINC001584256808 1092133245 /nfs/dbraw/zinc/13/32/45/1092133245.db2.gz XKSZLYZTTSZRPI-UHFFFAOYSA-N 0 0 348.790 2.947 10 5 EFBERN CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC001584281698 1092137835 /nfs/dbraw/zinc/13/78/35/1092137835.db2.gz AWVOXLZWCOLFAL-UHFFFAOYSA-N 0 0 348.746 2.878 10 5 EFBERN COC(=O)c1ccccc1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001584294676 1092139022 /nfs/dbraw/zinc/13/90/22/1092139022.db2.gz LJXPDMUNYHTOSS-LBPRGKRZSA-N 0 0 342.351 2.801 10 5 EFBERN Cc1cc2ncc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC001584294716 1092139921 /nfs/dbraw/zinc/13/99/21/1092139921.db2.gz MJZVWEAUHSJYHK-NSHDSACASA-N 0 0 339.355 2.745 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001584322283 1092144976 /nfs/dbraw/zinc/14/49/76/1092144976.db2.gz MOLQXGJXKZQPKL-ILWJIGKKSA-N 0 0 330.718 2.951 10 5 EFBERN CC[C@H](COCC1CC1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001584351079 1092149899 /nfs/dbraw/zinc/14/98/99/1092149899.db2.gz MFEZRJOAQPTCIJ-LLVKDONJSA-N 0 0 341.795 2.765 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CCC(N)=O)c1ccccc1 ZINC001584437854 1092175836 /nfs/dbraw/zinc/17/58/36/1092175836.db2.gz VNECGNTXOVKMMS-UHFFFAOYSA-N 0 0 345.330 2.565 10 5 EFBERN C[C@@H](C(=O)Nc1cnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001584530804 1092192064 /nfs/dbraw/zinc/19/20/64/1092192064.db2.gz LUYCKZIENXXWSE-GFCCVEGCSA-N 0 0 337.339 2.918 10 5 EFBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H](C)C2 ZINC001584557982 1092205186 /nfs/dbraw/zinc/20/51/86/1092205186.db2.gz ZYMWKYQLZLVYQJ-PELKAZGASA-N 0 0 334.763 2.943 10 5 EFBERN Cn1cnnc1CC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001648374953 1092207479 /nfs/dbraw/zinc/20/74/79/1092207479.db2.gz YXLYTQLJRWJNEE-UHFFFAOYSA-N 0 0 349.822 2.831 10 5 EFBERN Cc1nnc(N2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC001648372104 1092207746 /nfs/dbraw/zinc/20/77/46/1092207746.db2.gz QLTHGRPODOSAMC-GFCCVEGCSA-N 0 0 347.444 2.946 10 5 EFBERN COc1cc(CN(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sn1 ZINC001648429523 1092215577 /nfs/dbraw/zinc/21/55/77/1092215577.db2.gz KINLNUZUXCBESX-UHFFFAOYSA-N 0 0 338.345 2.600 10 5 EFBERN COc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1O ZINC001648507307 1092227111 /nfs/dbraw/zinc/22/71/11/1092227111.db2.gz RWPMPRIUVXROPN-UHFFFAOYSA-N 0 0 336.731 2.892 10 5 EFBERN C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001584635793 1092228364 /nfs/dbraw/zinc/22/83/64/1092228364.db2.gz MJTNWYQAEDFXEN-MNOVXSKESA-N 0 0 326.780 2.817 10 5 EFBERN CC(=O)C(C)(C)CCC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001648530841 1092230664 /nfs/dbraw/zinc/23/06/64/1092230664.db2.gz KAEAZCLZOGJUJR-UHFFFAOYSA-N 0 0 345.359 2.714 10 5 EFBERN Cc1ccoc1CC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC001584644233 1092231482 /nfs/dbraw/zinc/23/14/82/1092231482.db2.gz HHQXIKNYTKMYOO-UHFFFAOYSA-N 0 0 325.324 2.956 10 5 EFBERN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001648641816 1092241817 /nfs/dbraw/zinc/24/18/17/1092241817.db2.gz NHYXTHBPKSPABN-GHMZBOCLSA-N 0 0 341.795 2.686 10 5 EFBERN C[S@](=O)(=NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccc(F)c1 ZINC001648662296 1092248295 /nfs/dbraw/zinc/24/82/95/1092248295.db2.gz RWGIFUDYWQJNPH-HSZRJFAPSA-N 0 0 337.332 2.613 10 5 EFBERN O=C(Nc1cnn2c1CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001648732112 1092262354 /nfs/dbraw/zinc/26/23/54/1092262354.db2.gz YTQOBZXGYUDZAI-UHFFFAOYSA-N 0 0 325.328 2.861 10 5 EFBERN Cc1cc(C)c2c(c1)N(C(=O)c1cnc(N)c([N+](=O)[O-])c1)CCC2 ZINC001584747314 1092269170 /nfs/dbraw/zinc/26/91/70/1092269170.db2.gz GDCOMBZDXHRXRB-UHFFFAOYSA-N 0 0 326.356 2.782 10 5 EFBERN C[C@@](CO)(NC(=O)c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001648782855 1092269200 /nfs/dbraw/zinc/26/92/00/1092269200.db2.gz KWGIVOFBZZYCOF-SFHVURJKSA-N 0 0 339.351 2.714 10 5 EFBERN CCOC(=O)c1cc(C(=O)Nc2cccnc2F)cc([N+](=O)[O-])c1 ZINC001584783775 1092285334 /nfs/dbraw/zinc/28/53/34/1092285334.db2.gz PXGPPTDFVGGSSB-UHFFFAOYSA-N 0 0 333.275 2.558 10 5 EFBERN O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC001584802450 1092290162 /nfs/dbraw/zinc/29/01/62/1092290162.db2.gz IAFZUIQWGKKELI-UHFFFAOYSA-N 0 0 338.629 2.852 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1Cc2cc(F)c(F)cc2C1 ZINC001584859434 1092310064 /nfs/dbraw/zinc/31/00/64/1092310064.db2.gz FTQAIUNWWVCAMI-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN COc1ccc(CC(=O)N2Cc3cc(F)c(F)cc3C2)cc1[N+](=O)[O-] ZINC001584859459 1092310178 /nfs/dbraw/zinc/31/01/78/1092310178.db2.gz GVKQAAFYUBSZJK-UHFFFAOYSA-N 0 0 348.305 2.967 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC001584864953 1092310955 /nfs/dbraw/zinc/31/09/55/1092310955.db2.gz BPMTUQDLYRHYQA-UHFFFAOYSA-N 0 0 328.324 2.525 10 5 EFBERN COc1cc(C(N)=O)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001584902332 1092320830 /nfs/dbraw/zinc/32/08/30/1092320830.db2.gz WPRWUEPRVHERHE-UHFFFAOYSA-N 0 0 349.730 2.608 10 5 EFBERN CC(=O)c1ccc(OC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1Cl ZINC001584970327 1092341513 /nfs/dbraw/zinc/34/15/13/1092341513.db2.gz DUBYTQHUAPAGLB-UHFFFAOYSA-N 0 0 337.719 2.561 10 5 EFBERN Cc1ccc(C(=O)N[C@H](C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC001585002596 1092350348 /nfs/dbraw/zinc/35/03/48/1092350348.db2.gz AEDGHBSCDWUBPV-CYBMUJFWSA-N 0 0 342.351 2.765 10 5 EFBERN Cc1cccc(C(=O)N[C@H]2CCc3ccccc3NC2=O)c1[N+](=O)[O-] ZINC001585059203 1092359777 /nfs/dbraw/zinc/35/97/77/1092359777.db2.gz WKOMZVXPJFWPSM-HNNXBMFYSA-N 0 0 339.351 2.587 10 5 EFBERN Cc1ccc(-n2nnnc2Sc2ncc([N+](=O)[O-])cc2F)cc1C ZINC001649309541 1092364197 /nfs/dbraw/zinc/36/41/97/1092364197.db2.gz HRJKHEYJNZVWGV-UHFFFAOYSA-N 0 0 346.347 2.873 10 5 EFBERN COc1cc(OCC(=O)Nc2nccnc2C(C)C)ccc1[N+](=O)[O-] ZINC001585104049 1092371552 /nfs/dbraw/zinc/37/15/52/1092371552.db2.gz TZZVIUZSAAHAGC-UHFFFAOYSA-N 0 0 346.343 2.534 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC2([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC001585144940 1092382751 /nfs/dbraw/zinc/38/27/51/1092382751.db2.gz PMLBKZVEUHISMF-AWEZNQCLSA-N 0 0 349.343 2.643 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])n1 ZINC001585304225 1092442601 /nfs/dbraw/zinc/44/26/01/1092442601.db2.gz FCPVSTJOTWZYFA-UHFFFAOYSA-N 0 0 347.352 2.751 10 5 EFBERN Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001585314577 1092442727 /nfs/dbraw/zinc/44/27/27/1092442727.db2.gz IMFUDGXMSCJJPD-CYBMUJFWSA-N 0 0 340.339 2.635 10 5 EFBERN Cn1nc(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC001585379493 1092466960 /nfs/dbraw/zinc/46/69/60/1092466960.db2.gz HKZUBZVKSVFWGG-UHFFFAOYSA-N 0 0 342.330 2.593 10 5 EFBERN CC(C)C(CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C(C)C ZINC001585404627 1092474658 /nfs/dbraw/zinc/47/46/58/1092474658.db2.gz PJMJPHNURDDDJI-UHFFFAOYSA-N 0 0 345.403 2.834 10 5 EFBERN CC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C(F)(F)F ZINC001585417771 1092478803 /nfs/dbraw/zinc/47/88/03/1092478803.db2.gz VTIGRGIVENFHKZ-JTQLQIEISA-N 0 0 348.277 2.827 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001585617100 1092523945 /nfs/dbraw/zinc/52/39/45/1092523945.db2.gz NEHSQUKKKOUGTG-AWEZNQCLSA-N 0 0 343.387 2.711 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)/C(=C/c1ccccc1)C(F)(F)F ZINC001585617747 1092524698 /nfs/dbraw/zinc/52/46/98/1092524698.db2.gz UBDUAYAITADHES-YFHOEESVSA-N 0 0 340.261 2.913 10 5 EFBERN O=C(Nc1ccccc1S(=O)(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001585626031 1092526311 /nfs/dbraw/zinc/52/63/11/1092526311.db2.gz VQHUOVLZCKCZJK-UHFFFAOYSA-N 0 0 346.364 2.783 10 5 EFBERN Cc1cc2nccc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)n2n1 ZINC001585715679 1092554489 /nfs/dbraw/zinc/55/44/89/1092554489.db2.gz ABMLGCHFOVPJRF-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001585763771 1092566046 /nfs/dbraw/zinc/56/60/46/1092566046.db2.gz PTAUEZSXJAIODW-SJKOYZFVSA-N 0 0 346.408 2.925 10 5 EFBERN O=C(N[C@H]1CCOC12CCCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001585770718 1092568137 /nfs/dbraw/zinc/56/81/37/1092568137.db2.gz DGONVRLJYKGEJV-AWEZNQCLSA-N 0 0 349.343 2.725 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C3CC3)c3ccccc32)n1 ZINC001585772024 1092568239 /nfs/dbraw/zinc/56/82/39/1092568239.db2.gz SYOZEZYLFXMDAD-UHFFFAOYSA-N 0 0 338.367 2.927 10 5 EFBERN CC(C)CC(=O)NCCC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001585836730 1092591000 /nfs/dbraw/zinc/59/10/00/1092591000.db2.gz GUKPQRAZLXYQTO-UHFFFAOYSA-N 0 0 344.371 2.634 10 5 EFBERN C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585841541 1092592586 /nfs/dbraw/zinc/59/25/86/1092592586.db2.gz JJIXQLINXNVTDL-NEPJUHHUSA-N 0 0 345.355 2.666 10 5 EFBERN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1ncc(Cl)cn1 ZINC001585840931 1092592861 /nfs/dbraw/zinc/59/28/61/1092592861.db2.gz CMTXDFZCWGAVLS-UHFFFAOYSA-N 0 0 329.703 2.839 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn([C@@H]2CCCCO2)c1 ZINC001585852330 1092597486 /nfs/dbraw/zinc/59/74/86/1092597486.db2.gz ZIKFYIPCPCHOFA-HNNXBMFYSA-N 0 0 345.359 2.784 10 5 EFBERN CC1(C)CCC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])O1 ZINC001585898098 1092614573 /nfs/dbraw/zinc/61/45/73/1092614573.db2.gz YGLXMQGRWHHCQK-CYBMUJFWSA-N 0 0 335.404 2.861 10 5 EFBERN Cc1nc2ccc(NC(=O)c3c(C)c(F)ccc3[N+](=O)[O-])cn2n1 ZINC001585918333 1092621290 /nfs/dbraw/zinc/62/12/90/1092621290.db2.gz CEQMRBGYJHBSEI-UHFFFAOYSA-N 0 0 329.291 2.646 10 5 EFBERN CCOc1cc(NC(=O)[C@H]2CCCCN2C(=O)CC)ccc1[N+](=O)[O-] ZINC001585927508 1092623293 /nfs/dbraw/zinc/62/32/93/1092623293.db2.gz ZBGRPCTYESHDAY-CQSZACIVSA-N 0 0 349.387 2.723 10 5 EFBERN O=C(Nc1ccnn1C1CCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001585927594 1092623412 /nfs/dbraw/zinc/62/34/12/1092623412.db2.gz DMEOSXCFVZRIDV-UHFFFAOYSA-N 0 0 344.327 2.540 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccnc(F)c1OC ZINC001585977150 1092639167 /nfs/dbraw/zinc/63/91/67/1092639167.db2.gz AXBSCUXKDGQVBU-UHFFFAOYSA-N 0 0 335.291 2.789 10 5 EFBERN Cc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)ccc1-n1cccn1 ZINC001585982414 1092641719 /nfs/dbraw/zinc/64/17/19/1092641719.db2.gz XKSIYIQGLKTFGQ-UHFFFAOYSA-N 0 0 337.339 2.761 10 5 EFBERN O=C(C[C@@H]1CCC2(CCC2)O1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001586034845 1092661653 /nfs/dbraw/zinc/66/16/53/1092661653.db2.gz JEBRGFDLUCMAKA-LBPRGKRZSA-N 0 0 336.300 2.900 10 5 EFBERN C[C@H]1CCc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])ncc2C1 ZINC001586044681 1092665988 /nfs/dbraw/zinc/66/59/88/1092665988.db2.gz LJFWKHUDWOLCGZ-NSHDSACASA-N 0 0 342.355 2.527 10 5 EFBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1Cc2cc(F)c(F)cc2C1 ZINC001586088687 1092677980 /nfs/dbraw/zinc/67/79/80/1092677980.db2.gz MTWLBWQGFVQNBD-UHFFFAOYSA-N 0 0 349.249 2.937 10 5 EFBERN COCc1nccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC001586314619 1092722723 /nfs/dbraw/zinc/72/27/23/1092722723.db2.gz VFIIXJFGVRRDNF-UHFFFAOYSA-N 0 0 336.735 2.745 10 5 EFBERN COc1cc(C(=O)NCCF)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001586380135 1092728737 /nfs/dbraw/zinc/72/87/37/1092728737.db2.gz URUBOQQIJXSNJO-UHFFFAOYSA-N 0 0 348.330 2.882 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001586436957 1092734835 /nfs/dbraw/zinc/73/48/35/1092734835.db2.gz WLKUOMOORIACBV-LSDHHAIUSA-N 0 0 344.371 2.645 10 5 EFBERN COCCOc1cncc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001586467099 1092736618 /nfs/dbraw/zinc/73/66/18/1092736618.db2.gz HIGSGPDFHLZMCQ-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001586503905 1092739317 /nfs/dbraw/zinc/73/93/17/1092739317.db2.gz GWDCMSGAPFYWDE-STQMWFEESA-N 0 0 341.323 2.519 10 5 EFBERN O=C(Nc1ccc2[nH]ccc(=O)c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001586502864 1092739663 /nfs/dbraw/zinc/73/96/63/1092739663.db2.gz FLWNCBCKIDRNJP-UHFFFAOYSA-N 0 0 349.306 2.565 10 5 EFBERN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001586503902 1092739832 /nfs/dbraw/zinc/73/98/32/1092739832.db2.gz GWDCMSGAPFYWDE-CHWSQXEVSA-N 0 0 341.323 2.519 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000796839747 1092747230 /nfs/dbraw/zinc/74/72/30/1092747230.db2.gz JMXHPQULJULSSP-VHSXEESVSA-N 0 0 335.282 2.622 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000796839749 1092753143 /nfs/dbraw/zinc/75/31/43/1092753143.db2.gz JMXHPQULJULSSP-ZJUUUORDSA-N 0 0 335.282 2.622 10 5 EFBERN O=C(COCc1ccncc1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721457 1092754324 /nfs/dbraw/zinc/75/43/24/1092754324.db2.gz UWVGGBSCEWHIST-UHFFFAOYSA-N 0 0 338.323 2.693 10 5 EFBERN C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586721485 1092754805 /nfs/dbraw/zinc/75/48/05/1092754805.db2.gz VOPBCXIBXYJORG-NEPJUHHUSA-N 0 0 345.355 2.666 10 5 EFBERN COC(=O)c1cc(NC(=O)C(C)(C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC001586795561 1092759168 /nfs/dbraw/zinc/75/91/68/1092759168.db2.gz PLYQFBWFXBZATM-UHFFFAOYSA-N 0 0 343.339 2.693 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)nn1C ZINC001586795761 1092759516 /nfs/dbraw/zinc/75/95/16/1092759516.db2.gz KGOCLLNWKZSZTG-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C[C@H]1C ZINC001586813911 1092761023 /nfs/dbraw/zinc/76/10/23/1092761023.db2.gz YOVGHCOBUBZFOK-AOOOYVTPSA-N 0 0 347.400 2.592 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2c1CNC2=O ZINC001586869864 1092763373 /nfs/dbraw/zinc/76/33/73/1092763373.db2.gz VAFULBBZSWVJBB-UHFFFAOYSA-N 0 0 325.324 2.707 10 5 EFBERN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)cc1 ZINC001586882438 1092764443 /nfs/dbraw/zinc/76/44/43/1092764443.db2.gz PGRJFVABXRYPKP-HNNXBMFYSA-N 0 0 349.774 2.948 10 5 EFBERN CCn1ncc(C)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001586922686 1092769910 /nfs/dbraw/zinc/76/99/10/1092769910.db2.gz LVBJBFIBKVZKQT-UHFFFAOYSA-N 0 0 346.343 2.533 10 5 EFBERN CCN(C)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001586964078 1092772803 /nfs/dbraw/zinc/77/28/03/1092772803.db2.gz JKQQOJFJTSSPRY-UHFFFAOYSA-N 0 0 342.355 2.642 10 5 EFBERN CC(C)(CCC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)[N+](=O)[O-] ZINC001586999551 1092774813 /nfs/dbraw/zinc/77/48/13/1092774813.db2.gz TZRWJGHVNFMXGD-UHFFFAOYSA-N 0 0 332.316 2.917 10 5 EFBERN O=C(COCC(F)(F)F)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001586995490 1092775613 /nfs/dbraw/zinc/77/56/13/1092775613.db2.gz RPPZMGGFWXVAAD-UHFFFAOYSA-N 0 0 329.234 2.660 10 5 EFBERN O=C(NCCCc1ccco1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001587063454 1092778664 /nfs/dbraw/zinc/77/86/64/1092778664.db2.gz XJKVOWMFDIWQIV-UHFFFAOYSA-N 0 0 340.339 2.736 10 5 EFBERN CCOc1cc(NC(=O)c2cn3ccccc3n2)ccc1[N+](=O)[O-] ZINC001587062930 1092779801 /nfs/dbraw/zinc/77/98/01/1092779801.db2.gz KRSOYNHEHFMMDC-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001587113549 1092783987 /nfs/dbraw/zinc/78/39/87/1092783987.db2.gz DQSWYEQDNLUOBG-LBPRGKRZSA-N 0 0 348.305 2.744 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc(F)ccc2[nH]c1=O ZINC001587128980 1092784567 /nfs/dbraw/zinc/78/45/67/1092784567.db2.gz UKNAJIRVFRVHBT-UHFFFAOYSA-N 0 0 327.271 2.828 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001587125839 1092784620 /nfs/dbraw/zinc/78/46/20/1092784620.db2.gz QWHDMGJSWXLMNX-NEPJUHHUSA-N 0 0 337.326 2.896 10 5 EFBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001587125840 1092785002 /nfs/dbraw/zinc/78/50/02/1092785002.db2.gz QWHDMGJSWXLMNX-NWDGAFQWSA-N 0 0 337.326 2.896 10 5 EFBERN COc1cc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC001587143600 1092785668 /nfs/dbraw/zinc/78/56/68/1092785668.db2.gz IPNNSDYGHASEDP-UHFFFAOYSA-N 0 0 336.231 2.870 10 5 EFBERN Nc1c(C(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001587131571 1092785908 /nfs/dbraw/zinc/78/59/08/1092785908.db2.gz NHBRVYUDIBZNAG-RQJHMYQMSA-N 0 0 349.696 2.697 10 5 EFBERN COc1ccc(N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001625876221 1092787107 /nfs/dbraw/zinc/78/71/07/1092787107.db2.gz RATJQICFNJLFSC-UHFFFAOYSA-N 0 0 335.747 2.857 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCNC2=O ZINC001587157736 1092787549 /nfs/dbraw/zinc/78/75/49/1092787549.db2.gz XDSWBPKMDNTRAT-BAQGIRSFSA-N 0 0 337.335 2.533 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cncc2[nH]cnc21 ZINC001587259803 1092795754 /nfs/dbraw/zinc/79/57/54/1092795754.db2.gz HOOYEPQRFNCRRX-UHFFFAOYSA-N 0 0 339.355 2.619 10 5 EFBERN C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCCC1 ZINC001587271031 1092797632 /nfs/dbraw/zinc/79/76/32/1092797632.db2.gz LGIKQOJSXBWGLI-UHFFFAOYSA-N 0 0 335.404 2.685 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(SC(F)F)cc1 ZINC001587347814 1092804505 /nfs/dbraw/zinc/80/45/05/1092804505.db2.gz BVLFQXVRNRQPPV-UHFFFAOYSA-N 0 0 328.300 2.895 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc2sccc2nc1Cl ZINC001587348900 1092804805 /nfs/dbraw/zinc/80/48/05/1092804805.db2.gz YXJIVMSEUSXYNU-UHFFFAOYSA-N 0 0 337.748 2.844 10 5 EFBERN CCCCOc1ccc(C(=O)Nc2c([N+](=O)[O-])ncn2C)cc1OC ZINC001587348678 1092804899 /nfs/dbraw/zinc/80/48/99/1092804899.db2.gz UGVSPYLZNCLKRK-UHFFFAOYSA-N 0 0 348.359 2.768 10 5 EFBERN CC(C)(O)C1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001587460152 1092815086 /nfs/dbraw/zinc/81/50/86/1092815086.db2.gz MRCZRHJSWNWCLI-UHFFFAOYSA-N 0 0 348.399 2.567 10 5 EFBERN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001587607491 1092829672 /nfs/dbraw/zinc/82/96/72/1092829672.db2.gz MNYFIUXHCSOYRU-PSLIRLAXSA-N 0 0 336.294 2.784 10 5 EFBERN O=C(Nc1ccc2c(n1)CCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001587622011 1092831046 /nfs/dbraw/zinc/83/10/46/1092831046.db2.gz DEFMLVGQIGMXKF-UHFFFAOYSA-N 0 0 349.350 2.917 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC(C)=O ZINC001587637022 1092834936 /nfs/dbraw/zinc/83/49/36/1092834936.db2.gz HMTJSPWPFRCEJV-UHFFFAOYSA-N 0 0 329.312 2.814 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC[C@@H](O)C1CCCC1 ZINC001587735849 1092847339 /nfs/dbraw/zinc/84/73/39/1092847339.db2.gz KMFPAUTYJHOLLW-OAHLLOKOSA-N 0 0 340.807 2.848 10 5 EFBERN COc1ccc(C[C@H]2CCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001587779585 1092852121 /nfs/dbraw/zinc/85/21/21/1092852121.db2.gz JXBQVVBHAPZJLA-CQSZACIVSA-N 0 0 341.367 2.643 10 5 EFBERN COc1ccc(C[C@H]2CCN2C(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC001587779454 1092852534 /nfs/dbraw/zinc/85/25/34/1092852534.db2.gz HYJUKWVUUIZTCD-CYBMUJFWSA-N 0 0 341.367 2.643 10 5 EFBERN CCOC(=O)C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001587801615 1092854240 /nfs/dbraw/zinc/85/42/40/1092854240.db2.gz ABAAIVUVIKDTOD-UHFFFAOYSA-N 0 0 331.328 2.671 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC001587864085 1092862004 /nfs/dbraw/zinc/86/20/04/1092862004.db2.gz DGDVUOIYQORJAP-WCQYABFASA-N 0 0 348.355 2.829 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC001587864084 1092862260 /nfs/dbraw/zinc/86/22/60/1092862260.db2.gz DGDVUOIYQORJAP-DGCLKSJQSA-N 0 0 348.355 2.829 10 5 EFBERN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001587893140 1092865955 /nfs/dbraw/zinc/86/59/55/1092865955.db2.gz QFVDAYJFRPHIDG-UHFFFAOYSA-N 0 0 340.261 2.535 10 5 EFBERN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001588020882 1092884439 /nfs/dbraw/zinc/88/44/39/1092884439.db2.gz GKGCEZLCXHMOTF-BDJLRTHQSA-N 0 0 332.331 2.976 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(CCO)CCCC1 ZINC001588106869 1092891875 /nfs/dbraw/zinc/89/18/75/1092891875.db2.gz QGASDBOVYIDBQH-UHFFFAOYSA-N 0 0 336.388 2.666 10 5 EFBERN C[C@@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])COc2ccccc2O1 ZINC001588109210 1092893074 /nfs/dbraw/zinc/89/30/74/1092893074.db2.gz YOHBJWYFSCTRNL-QGZVFWFLSA-N 0 0 346.314 2.694 10 5 EFBERN C[C@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])COc2ccccc2O1 ZINC001588109209 1092893685 /nfs/dbraw/zinc/89/36/85/1092893685.db2.gz YOHBJWYFSCTRNL-KRWDZBQOSA-N 0 0 346.314 2.694 10 5 EFBERN Cc1cc(CCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)[nH]n1 ZINC001588191329 1092900850 /nfs/dbraw/zinc/90/08/50/1092900850.db2.gz YYTOCXWTDOFTAF-UHFFFAOYSA-N 0 0 336.779 2.871 10 5 EFBERN COCCC1(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001588199073 1092901822 /nfs/dbraw/zinc/90/18/22/1092901822.db2.gz JGHLFUWBYFQMJH-UHFFFAOYSA-N 0 0 326.780 2.724 10 5 EFBERN CCc1ccc(C(=O)NCC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC001588218031 1092904195 /nfs/dbraw/zinc/90/41/95/1092904195.db2.gz NPRGZUNWUNFEGL-UHFFFAOYSA-N 0 0 342.351 2.779 10 5 EFBERN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC001267147026 1092907743 /nfs/dbraw/zinc/90/77/43/1092907743.db2.gz CASGUPJMBMGSTF-HUUCEWRRSA-N 0 0 325.324 2.935 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)n1 ZINC001588234207 1092907884 /nfs/dbraw/zinc/90/78/84/1092907884.db2.gz DSPBMPKBMOAJRD-UKRRQHHQSA-N 0 0 343.383 2.583 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)Cc2cncnc21 ZINC001588243589 1092909268 /nfs/dbraw/zinc/90/92/68/1092909268.db2.gz HHZPQWQKRSQVJJ-SECBINFHSA-N 0 0 332.747 2.798 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2c(cccc2F)[nH]1 ZINC001588437453 1092945273 /nfs/dbraw/zinc/94/52/73/1092945273.db2.gz JEEVFMGIHCDZPS-UHFFFAOYSA-N 0 0 328.303 2.849 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1C=CCC1 ZINC001589163907 1093041905 /nfs/dbraw/zinc/04/19/05/1093041905.db2.gz VDQOJYPNMDBAHG-SNVBAGLBSA-N 0 0 337.763 2.903 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCc2cc(O)ccc2Cl)c1[N+](=O)[O-] ZINC001589308777 1093069734 /nfs/dbraw/zinc/06/97/34/1093069734.db2.gz ATZMXCDCEKRSFK-UHFFFAOYSA-N 0 0 338.751 2.730 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2nc3c(s2)CCCC3)n1 ZINC001267211558 1093210695 /nfs/dbraw/zinc/21/06/95/1093210695.db2.gz CAUXJXMWVYXBHP-UHFFFAOYSA-N 0 0 346.412 2.606 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC001650660757 1093480409 /nfs/dbraw/zinc/48/04/09/1093480409.db2.gz BPUPRQZQUHRFCM-KNVOCYPGSA-N 0 0 346.231 2.895 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCCNc1cnccn1 ZINC001650683438 1093481266 /nfs/dbraw/zinc/48/12/66/1093481266.db2.gz PTZXAJDWTVPUQC-UHFFFAOYSA-N 0 0 327.266 2.928 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(C(F)(F)F)n[nH]1 ZINC001650708789 1093485267 /nfs/dbraw/zinc/48/52/67/1093485267.db2.gz OLYOKEUVCDDRAW-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](OC)C(F)(F)F)c2c1 ZINC001650741262 1093489264 /nfs/dbraw/zinc/48/92/64/1093489264.db2.gz SZNCBPNEZILXDS-GFCCVEGCSA-N 0 0 345.277 2.563 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001650777321 1093493711 /nfs/dbraw/zinc/49/37/11/1093493711.db2.gz AMKIAMHCJYENOM-NZBQSGDWSA-N 0 0 327.344 2.611 10 5 EFBERN O=[N+]([O-])c1cc(CO)c(Nc2cnn(-c3ccccn3)c2)cc1F ZINC001650776722 1093493903 /nfs/dbraw/zinc/49/39/03/1093493903.db2.gz BSUPPDLDOBSQKU-UHFFFAOYSA-N 0 0 329.291 2.551 10 5 EFBERN NC(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001650806398 1093495774 /nfs/dbraw/zinc/49/57/74/1093495774.db2.gz VAZBFBBXTRYVLB-VIFPVBQESA-N 0 0 332.282 2.569 10 5 EFBERN CN(CCOCC1CC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001650837501 1093498619 /nfs/dbraw/zinc/49/86/19/1093498619.db2.gz KJEGMOSELOVTEB-UHFFFAOYSA-N 0 0 346.343 2.914 10 5 EFBERN CC(C)OC1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCCC1 ZINC001650845082 1093500460 /nfs/dbraw/zinc/50/04/60/1093500460.db2.gz VBSRPBSVBKSSNZ-UHFFFAOYSA-N 0 0 336.392 2.629 10 5 EFBERN Nc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001650922824 1093509966 /nfs/dbraw/zinc/50/99/66/1093509966.db2.gz GUVCMNWZBQKGFU-XJKSGUPXSA-N 0 0 329.331 2.932 10 5 EFBERN CCc1ccc2c(c1)[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])CCO2 ZINC001650949975 1093513265 /nfs/dbraw/zinc/51/32/65/1093513265.db2.gz GPWIERWQXSPPJC-ZDUSSCGKSA-N 0 0 342.355 2.587 10 5 EFBERN CCNC(=O)NCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC001620880497 1093513361 /nfs/dbraw/zinc/51/33/61/1093513361.db2.gz BUWJGRZOAAMILJ-UHFFFAOYSA-N 0 0 342.355 2.666 10 5 EFBERN CCc1cnc(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])o1 ZINC001650987091 1093515678 /nfs/dbraw/zinc/51/56/78/1093515678.db2.gz ZYRNKOUKBNNKEU-UHFFFAOYSA-N 0 0 328.328 2.609 10 5 EFBERN Cc1ccc2c(c1)nc(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)n2C ZINC001650990966 1093518077 /nfs/dbraw/zinc/51/80/77/1093518077.db2.gz AZDWRJGVSTZHJP-UHFFFAOYSA-N 0 0 339.355 2.501 10 5 EFBERN O=[N+]([O-])c1cnccc1NCc1c(Cl)cccc1-n1ccnc1 ZINC001651093224 1093524965 /nfs/dbraw/zinc/52/49/65/1093524965.db2.gz VGLSCAQFQDHNTK-UHFFFAOYSA-N 0 0 329.747 2.863 10 5 EFBERN COC1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCCC1 ZINC001651109048 1093526793 /nfs/dbraw/zinc/52/67/93/1093526793.db2.gz WUADOQYEZUVSPZ-UHFFFAOYSA-N 0 0 346.343 2.844 10 5 EFBERN Nc1nc(N(CCc2ccccc2)C2CCCC2)ncc1[N+](=O)[O-] ZINC001651113965 1093529032 /nfs/dbraw/zinc/52/90/32/1093529032.db2.gz GYKRCCIYLHCHIN-UHFFFAOYSA-N 0 0 327.388 2.959 10 5 EFBERN CCOc1ccc(C[C@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC001651126124 1093529572 /nfs/dbraw/zinc/52/95/72/1093529572.db2.gz ODSNAVOBECQYCE-NSHDSACASA-N 0 0 331.376 2.656 10 5 EFBERN C=C/C=C/CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001651145344 1093530787 /nfs/dbraw/zinc/53/07/87/1093530787.db2.gz SGPOHSISNVCGEL-ONEGZZNKSA-N 0 0 340.177 2.802 10 5 EFBERN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCO[C@H]1C1CC1 ZINC001651152537 1093532281 /nfs/dbraw/zinc/53/22/81/1093532281.db2.gz AFFJDFNDFJJTKY-CJNGLKHVSA-N 0 0 342.355 2.739 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC001651151620 1093532661 /nfs/dbraw/zinc/53/26/61/1093532661.db2.gz ZLNKRBMHACTOBO-UHFFFAOYSA-N 0 0 343.221 2.924 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1nccc(C)n1 ZINC001651161078 1093534255 /nfs/dbraw/zinc/53/42/55/1093534255.db2.gz PBUBSXXOVANFRH-UHFFFAOYSA-N 0 0 336.735 2.745 10 5 EFBERN CC(C)C[C@H](CNc1c([N+](=O)[O-])cnn1C)C(=O)OC(C)(C)C ZINC001651169542 1093535237 /nfs/dbraw/zinc/53/52/37/1093535237.db2.gz ZHFBNNWDWOSROC-LLVKDONJSA-N 0 0 326.397 2.744 10 5 EFBERN CCn1ncc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC001651295091 1093550484 /nfs/dbraw/zinc/55/04/84/1093550484.db2.gz CZFZZAAIBPCAIY-UHFFFAOYSA-N 0 0 330.344 2.721 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccnc(-c2ccccc2)c1 ZINC001651304077 1093550764 /nfs/dbraw/zinc/55/07/64/1093550764.db2.gz XAOQHPXUUQNVDQ-UHFFFAOYSA-N 0 0 349.350 2.763 10 5 EFBERN COc1ncc(CCNc2nc3ccc([N+](=O)[O-])cc3s2)cn1 ZINC001651294285 1093551173 /nfs/dbraw/zinc/55/11/73/1093551173.db2.gz WUWDZBMFVFQIBX-UHFFFAOYSA-N 0 0 331.357 2.658 10 5 EFBERN CCCN(CCNC(=O)C1(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001267313943 1093557892 /nfs/dbraw/zinc/55/78/92/1093557892.db2.gz CBKBMONMBAKSEX-UHFFFAOYSA-N 0 0 325.434 2.785 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588597924 1094331734 /nfs/dbraw/zinc/33/17/34/1094331734.db2.gz ALYZBMOMPDOGPA-WAYWQWQTSA-N 0 0 349.387 2.714 10 5 EFBERN CC[C@@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC001267374632 1094357911 /nfs/dbraw/zinc/35/79/11/1094357911.db2.gz QJRZYWPDTFDWCM-GDBMZVCRSA-N 0 0 334.372 2.848 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000843619650 1094389324 /nfs/dbraw/zinc/38/93/24/1094389324.db2.gz PFDDMCFZRIVJIV-NKMFSUHESA-N 0 0 334.372 2.702 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(O)cc1O ZINC001593693840 1094408943 /nfs/dbraw/zinc/40/89/43/1094408943.db2.gz PDNSSZGAZIRKRP-UHFFFAOYSA-N 0 0 327.296 2.599 10 5 EFBERN Cc1cc(C=O)c(O)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001593770860 1094411108 /nfs/dbraw/zinc/41/11/08/1094411108.db2.gz PWFPZIPHPOOVDU-UHFFFAOYSA-N 0 0 328.324 2.694 10 5 EFBERN O=C(c1csc([N+](=O)[O-])c1)N1CC(c2cnc3ccccc3n2)C1 ZINC001593888825 1094413876 /nfs/dbraw/zinc/41/38/76/1094413876.db2.gz BOZZRYJRHQYYTP-UHFFFAOYSA-N 0 0 340.364 2.839 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001594485325 1094427949 /nfs/dbraw/zinc/42/79/49/1094427949.db2.gz CHIFXVIZKADGAF-INIZCTEOSA-N 0 0 348.786 2.511 10 5 EFBERN Cc1cc(C)n2ncc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])c2n1 ZINC001594586834 1094431371 /nfs/dbraw/zinc/43/13/71/1094431371.db2.gz QOOHCJOBXZQLQB-GFCCVEGCSA-N 0 0 339.355 2.745 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2nc[nH]c(=O)c21 ZINC001595369980 1094463036 /nfs/dbraw/zinc/46/30/36/1094463036.db2.gz MAIQEVUWSFHDOK-UHFFFAOYSA-N 0 0 342.286 2.564 10 5 EFBERN CCCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001595390754 1094464423 /nfs/dbraw/zinc/46/44/23/1094464423.db2.gz XKMGEPVPFFOBOC-UHFFFAOYSA-N 0 0 333.319 2.887 10 5 EFBERN Cc1ccc(CNC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1[N+](=O)[O-] ZINC001595508073 1094473944 /nfs/dbraw/zinc/47/39/44/1094473944.db2.gz DWCKOGWMPSFWNB-QGZVFWFLSA-N 0 0 339.351 2.713 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc2c(c1)CCC(=O)N2 ZINC001595574294 1094477829 /nfs/dbraw/zinc/47/78/29/1094477829.db2.gz QNUXRVKPRKYOMB-UHFFFAOYSA-N 0 0 343.314 2.800 10 5 EFBERN Cc1cc(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccn1 ZINC001595675376 1094484489 /nfs/dbraw/zinc/48/44/89/1094484489.db2.gz CHTQRVWORYVGED-UHFFFAOYSA-N 0 0 339.355 2.537 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001595683599 1094485398 /nfs/dbraw/zinc/48/53/98/1094485398.db2.gz RVAYKUOPPMVHPP-JHJVBQTASA-N 0 0 342.399 2.956 10 5 EFBERN COc1ccccc1-c1ccnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC001595794972 1094495245 /nfs/dbraw/zinc/49/52/45/1094495245.db2.gz AEEQSAQLVQVKMN-UHFFFAOYSA-N 0 0 340.295 2.906 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(F)cnc1Cl ZINC001595848263 1094498035 /nfs/dbraw/zinc/49/80/35/1094498035.db2.gz ZOBBETFSMFYWIS-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN O=C(Cc1ccon1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001595849753 1094498089 /nfs/dbraw/zinc/49/80/89/1094498089.db2.gz IBIYHMDMNDZZAQ-LBPRGKRZSA-N 0 0 330.218 2.972 10 5 EFBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@@H]1c1ccccc1 ZINC001595891956 1094502394 /nfs/dbraw/zinc/50/23/94/1094502394.db2.gz CEXDLGCUEOKNTO-OAHLLOKOSA-N 0 0 349.350 2.763 10 5 EFBERN COc1ccc(C(=O)Nc2c3c(ccc2F)OCO3)cc1[N+](=O)[O-] ZINC001595916340 1094503697 /nfs/dbraw/zinc/50/36/97/1094503697.db2.gz HFJANRKVMKRMPE-UHFFFAOYSA-N 0 0 334.259 2.724 10 5 EFBERN CCOCc1nc([C@@H](C)NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])no1 ZINC001596004042 1094508369 /nfs/dbraw/zinc/50/83/69/1094508369.db2.gz OPXAQARETALKGF-LLVKDONJSA-N 0 0 348.359 2.622 10 5 EFBERN O=C(NCc1cccc2[nH]ccc21)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001596132087 1094515670 /nfs/dbraw/zinc/51/56/70/1094515670.db2.gz QCXKTUVLIGOHQQ-UHFFFAOYSA-N 0 0 339.307 2.735 10 5 EFBERN O=C(NCc1noc2cc(F)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC001596148327 1094516993 /nfs/dbraw/zinc/51/69/93/1094516993.db2.gz RBYJCMNEFSAMLV-UHFFFAOYSA-N 0 0 333.250 2.944 10 5 EFBERN COc1ccc(CCC(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1F ZINC001596200675 1094519112 /nfs/dbraw/zinc/51/91/12/1094519112.db2.gz LVUFGROEWCSMHG-UHFFFAOYSA-N 0 0 349.318 2.717 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc2ncsc2c1 ZINC001596200715 1094519253 /nfs/dbraw/zinc/51/92/53/1094519253.db2.gz NTQZTTMPRHXAND-UHFFFAOYSA-N 0 0 330.325 2.860 10 5 EFBERN CCOc1ccc(C(=O)NC2(c3ncccn3)CCC2)cc1[N+](=O)[O-] ZINC001596453185 1094532466 /nfs/dbraw/zinc/53/24/66/1094532466.db2.gz CFMMOIOQMBKNDE-UHFFFAOYSA-N 0 0 342.355 2.593 10 5 EFBERN CCC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC001596645182 1094540453 /nfs/dbraw/zinc/54/04/53/1094540453.db2.gz BXOMWVZAISMXRI-UHFFFAOYSA-N 0 0 342.355 2.923 10 5 EFBERN COc1nsc(OC)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001596667787 1094540933 /nfs/dbraw/zinc/54/09/33/1094540933.db2.gz CXEDNCRFDBJCDI-QMMMGPOBSA-N 0 0 337.357 2.560 10 5 EFBERN CCC[C@H](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001596711349 1094543075 /nfs/dbraw/zinc/54/30/75/1094543075.db2.gz HAWRPHBLJAWJDD-LBPRGKRZSA-N 0 0 331.376 2.732 10 5 EFBERN COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC001596762814 1094545645 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10 5 EFBERN CNc1nccc(C(=O)N2CC=C(c3ccccc3C)C2)c1[N+](=O)[O-] ZINC001597429283 1094588272 /nfs/dbraw/zinc/58/82/72/1094588272.db2.gz XBPUBOQJOYHSAM-UHFFFAOYSA-N 0 0 338.367 2.879 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](c2ncccn2)C1 ZINC001597510402 1094595030 /nfs/dbraw/zinc/59/50/30/1094595030.db2.gz NWLRYUPDQDFUOT-JTQLQIEISA-N 0 0 332.747 2.668 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)NC(=O)C2 ZINC001597555401 1094600006 /nfs/dbraw/zinc/60/00/06/1094600006.db2.gz GJRNKMXWHCRDEE-UHFFFAOYSA-N 0 0 343.314 2.800 10 5 EFBERN O=C(NCc1nc2c([nH]1)CCCC2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001597584592 1094602604 /nfs/dbraw/zinc/60/26/04/1094602604.db2.gz GSSBLJCXLSPKJK-UONOGXRCSA-N 0 0 340.383 2.617 10 5 EFBERN CC(=O)Nc1cc(F)ccc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001620977114 1094606617 /nfs/dbraw/zinc/60/66/17/1094606617.db2.gz FAFXRCVXBYQGHP-UHFFFAOYSA-N 0 0 343.314 2.848 10 5 EFBERN O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001597694649 1094614001 /nfs/dbraw/zinc/61/40/01/1094614001.db2.gz HBWGWSHTFCKCFZ-JLIMDTESSA-N 0 0 349.293 2.650 10 5 EFBERN COc1c(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)cccc1[N+](=O)[O-] ZINC001597727200 1094617782 /nfs/dbraw/zinc/61/77/82/1094617782.db2.gz QIMFZCVGZCDGAM-IUODEOHRSA-N 0 0 346.314 2.805 10 5 EFBERN Cc1nc(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(C)o1 ZINC001597792309 1094625882 /nfs/dbraw/zinc/62/58/82/1094625882.db2.gz RGKKSUTZEBFMTO-UHFFFAOYSA-N 0 0 342.311 2.742 10 5 EFBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001597852991 1094631292 /nfs/dbraw/zinc/63/12/92/1094631292.db2.gz KYRSHCSHMNYFHW-AWEZNQCLSA-N 0 0 349.343 2.582 10 5 EFBERN COc1nscc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001597852358 1094631855 /nfs/dbraw/zinc/63/18/55/1094631855.db2.gz PSIIJENUZXBCDD-UHFFFAOYSA-N 0 0 341.776 2.986 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1noc2cc(F)ccc12 ZINC001597862066 1094633365 /nfs/dbraw/zinc/63/33/65/1094633365.db2.gz 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ZINC001598042957 1094650559 /nfs/dbraw/zinc/65/05/59/1094650559.db2.gz JSRLJBSTSSPHIN-ZETCQYMHSA-N 0 0 340.685 2.945 10 5 EFBERN CCc1cc(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc2[nH]1 ZINC001598080724 1094654779 /nfs/dbraw/zinc/65/47/79/1094654779.db2.gz UJPMKPVXORIHSU-UHFFFAOYSA-N 0 0 326.312 2.579 10 5 EFBERN COc1ccncc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001598120940 1094656552 /nfs/dbraw/zinc/65/65/52/1094656552.db2.gz LNFZRBVIALRVPI-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN C[C@@H](CNC(=O)COc1ccc(C=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001598178785 1094662547 /nfs/dbraw/zinc/66/25/47/1094662547.db2.gz QAXPHXPXJIEUDB-ZDUSSCGKSA-N 0 0 342.351 2.706 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC[C@@H]1CCCS1 ZINC000781808183 1094672024 /nfs/dbraw/zinc/67/20/24/1094672024.db2.gz PERPTTMCTHNOHB-LBPRGKRZSA-N 0 0 340.357 2.874 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001598388365 1094675665 /nfs/dbraw/zinc/67/56/65/1094675665.db2.gz AVTJPKJMNOCJEP-UHFFFAOYSA-N 0 0 327.340 2.539 10 5 EFBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cnn(C2CC2)c1 ZINC001125790250 1094707277 /nfs/dbraw/zinc/70/72/77/1094707277.db2.gz BCPLMWVPLPXGQX-UHFFFAOYSA-N 0 0 338.327 2.564 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2cc(Cl)nnc2C1 ZINC000843624433 1094782799 /nfs/dbraw/zinc/78/27/99/1094782799.db2.gz VVHVRQYAOUZHSF-UHFFFAOYSA-N 0 0 346.774 2.556 10 5 EFBERN CCCN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1ccccc1[N+](=O)[O-] ZINC001481144723 1094962260 /nfs/dbraw/zinc/96/22/60/1094962260.db2.gz MEUMVEWTEJOXRL-FVQHAEBGSA-N 0 0 345.443 2.969 10 5 EFBERN CO[C@H](C)CCC(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000782614413 1094963079 /nfs/dbraw/zinc/96/30/79/1094963079.db2.gz RNCGOAAIRBZGOT-AGIUHOORSA-N 0 0 325.365 2.633 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)nc1N ZINC001625913666 1095109679 /nfs/dbraw/zinc/10/96/79/1095109679.db2.gz AGBXUMJIPSLUOG-UHFFFAOYSA-N 0 0 334.763 2.540 10 5 EFBERN C/C(=C/c1ccncc1)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001125858861 1095249814 /nfs/dbraw/zinc/24/98/14/1095249814.db2.gz CECAXFPRJSBXAY-XFXZXTDPSA-N 0 0 341.323 2.575 10 5 EFBERN O=C(Cn1c(=O)[nH]c2ccccc21)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000783031360 1095337055 /nfs/dbraw/zinc/33/70/55/1095337055.db2.gz ZEIYCWOQHYMNQP-UHFFFAOYSA-N 0 0 345.286 2.533 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC2(c3ncccn3)CCC2)c1F ZINC000893659371 1095613577 /nfs/dbraw/zinc/61/35/77/1095613577.db2.gz WCAUOKPHZWUUEA-UHFFFAOYSA-N 0 0 330.319 2.642 10 5 EFBERN CCN(CCNC(=O)C1CC(F)(F)C1)Cc1ccccc1[N+](=O)[O-] ZINC001480970709 1095622161 /nfs/dbraw/zinc/62/21/61/1095622161.db2.gz ZQGPSZIQOAUXON-UHFFFAOYSA-N 0 0 341.358 2.578 10 5 EFBERN CC1(C)CC[C@@H](C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)O1 ZINC000785251015 1095755758 /nfs/dbraw/zinc/75/57/58/1095755758.db2.gz XAWJKKPQGYNBTD-LBPRGKRZSA-N 0 0 347.327 2.646 10 5 EFBERN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)CC(F)F ZINC000843631678 1096102115 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CC(C)(CO)CCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001622285177 1099497743 /nfs/dbraw/zinc/49/77/43/1099497743.db2.gz LIEJOAQBWVYOJP-UHFFFAOYSA-N 0 0 345.399 2.859 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](O)c1ccccc1C ZINC001622358916 1099504763 /nfs/dbraw/zinc/50/47/63/1099504763.db2.gz CDEWFFDYLRJWJK-HNNXBMFYSA-N 0 0 344.367 2.765 10 5 EFBERN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC001622428910 1099511363 /nfs/dbraw/zinc/51/13/63/1099511363.db2.gz PXOBOAADEQIESH-PSLIRLAXSA-N 0 0 336.294 2.725 10 5 EFBERN CC(=O)c1cc(F)cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001622602848 1099529358 /nfs/dbraw/zinc/52/93/58/1099529358.db2.gz XDKYAEAKJBHVAQ-UHFFFAOYSA-N 0 0 339.300 2.704 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(O)cc1 ZINC001622752993 1099539649 /nfs/dbraw/zinc/53/96/49/1099539649.db2.gz BBBWMRUMOSYTBG-UHFFFAOYSA-N 0 0 334.759 2.855 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)CCCc1ccccc1)CC2 ZINC000036110367 1099559158 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COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001625751321 1099848462 /nfs/dbraw/zinc/84/84/62/1099848462.db2.gz ZPICHLYQIBMXSN-SNVBAGLBSA-N 0 0 343.339 2.690 10 5 EFBERN COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001625751320 1099849024 /nfs/dbraw/zinc/84/90/24/1099849024.db2.gz ZPICHLYQIBMXSN-JTQLQIEISA-N 0 0 343.339 2.690 10 5 EFBERN COC(=O)CCc1ccccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001625754647 1099849127 /nfs/dbraw/zinc/84/91/27/1099849127.db2.gz UVGFWKGCDHPWMX-UHFFFAOYSA-N 0 0 343.339 2.535 10 5 EFBERN CN(C)c1nc2cc(NC(=O)c3c(F)cccc3[N+](=O)[O-])ccc2[nH]1 ZINC001626235818 1099852871 /nfs/dbraw/zinc/85/28/71/1099852871.db2.gz YEQYZDVZMMEYBN-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N=[S@]1(=O)CCc2ccccc21 ZINC001626315637 1099860587 /nfs/dbraw/zinc/86/05/87/1099860587.db2.gz OOVCVFQKTCVQCT-DEOSSOPVSA-N 0 0 346.364 2.827 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N=[S@@]1(=O)CCc2ccccc21 ZINC001626314414 1099860816 /nfs/dbraw/zinc/86/08/16/1099860816.db2.gz CCLJYDONKLSTNU-HSZRJFAPSA-N 0 0 330.365 2.747 10 5 EFBERN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccc(F)cc1 ZINC001126505365 1099861989 /nfs/dbraw/zinc/86/19/89/1099861989.db2.gz PJVUERBRTVYWKN-OAHLLOKOSA-N 0 0 333.319 2.555 10 5 EFBERN CC(C)(C)c1nc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)co1 ZINC001626321976 1099862631 /nfs/dbraw/zinc/86/26/31/1099862631.db2.gz LFSBQBMVBGSHJK-UHFFFAOYSA-N 0 0 343.343 2.687 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001626355827 1099863812 /nfs/dbraw/zinc/86/38/12/1099863812.db2.gz FELQQFPSDXXKKP-UHFFFAOYSA-N 0 0 347.758 2.884 10 5 EFBERN C[NH+](C)Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001626399995 1099870762 /nfs/dbraw/zinc/87/07/62/1099870762.db2.gz XNQMMPDGORMUNF-UHFFFAOYSA-N 0 0 333.319 2.753 10 5 EFBERN CCC(C)(CC)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001626533215 1099887297 /nfs/dbraw/zinc/88/72/97/1099887297.db2.gz UYKPFHOTAWDSNO-UHFFFAOYSA-N 0 0 345.403 2.892 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC001626661376 1099902939 /nfs/dbraw/zinc/90/29/39/1099902939.db2.gz VLXCRQGGUXUGSW-MEBBXXQBSA-N 0 0 338.791 2.817 10 5 EFBERN Cc1nc[nH]c1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001626672544 1099905102 /nfs/dbraw/zinc/90/51/02/1099905102.db2.gz AZVWPERVHOERCT-UHFFFAOYSA-N 0 0 342.277 2.504 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC[C@@H]2OCCc3ccccc32)n1 ZINC001626716367 1099909861 /nfs/dbraw/zinc/90/98/61/1099909861.db2.gz VECAIEZRUPHMLV-KRWDZBQOSA-N 0 0 341.367 2.732 10 5 EFBERN COc1cccc(SC)c1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001626742120 1099911692 /nfs/dbraw/zinc/91/16/92/1099911692.db2.gz VPOYIBOWSDEZAO-HNNXBMFYSA-N 0 0 348.380 2.997 10 5 EFBERN CCOC(=O)c1noc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC001626762531 1099916585 /nfs/dbraw/zinc/91/65/85/1099916585.db2.gz MUXDOYZWXRRCGO-SECBINFHSA-N 0 0 347.327 2.810 10 5 EFBERN CN(Cc1cc(F)cc(F)c1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001626897553 1099932894 /nfs/dbraw/zinc/93/28/94/1099932894.db2.gz DTCIFTZLDWTCCT-OAHLLOKOSA-N 0 0 336.294 2.565 10 5 EFBERN Cc1c(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])n[nH]c1C(F)(F)F ZINC001626997152 1099945844 /nfs/dbraw/zinc/94/58/44/1099945844.db2.gz ZAEMPDBSBDYYSW-UHFFFAOYSA-N 0 0 346.240 2.965 10 5 EFBERN Nc1c(C(=O)N2Cc3ccncc3C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001627031405 1099948295 /nfs/dbraw/zinc/94/82/95/1099948295.db2.gz JAGHXANHTNZJPV-UHFFFAOYSA-N 0 0 336.710 2.521 10 5 EFBERN CN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1cccnc1 ZINC001125920145 1099948592 /nfs/dbraw/zinc/94/85/92/1099948592.db2.gz UCNYBIQVNSABKS-UHFFFAOYSA-N 0 0 337.339 2.511 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCCCn1ccnc1 ZINC001627138353 1099960666 /nfs/dbraw/zinc/96/06/66/1099960666.db2.gz KRCRTNUTCKGKEH-UHFFFAOYSA-N 0 0 336.779 2.584 10 5 EFBERN CC[C@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001627141112 1099961245 /nfs/dbraw/zinc/96/12/45/1099961245.db2.gz XMLMEXRYPRGTTN-NSHDSACASA-N 0 0 347.293 2.775 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1noc(C(F)(F)F)n1 ZINC001627199310 1099967598 /nfs/dbraw/zinc/96/75/98/1099967598.db2.gz AGCJSNIEVOIOHN-ZETCQYMHSA-N 0 0 344.249 2.796 10 5 EFBERN COc1c(C)cnc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC001627262071 1099973584 /nfs/dbraw/zinc/97/35/84/1099973584.db2.gz NKTAZYWERNPDTQ-UHFFFAOYSA-N 0 0 347.346 2.993 10 5 EFBERN Cc1ncncc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001627306453 1099980993 /nfs/dbraw/zinc/98/09/93/1099980993.db2.gz SHRIKWDZISXJKH-UHFFFAOYSA-N 0 0 341.371 2.936 10 5 EFBERN Cc1nc(C(C)(C)NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC001627313575 1099981259 /nfs/dbraw/zinc/98/12/59/1099981259.db2.gz PODJJVXUIDKMPA-UHFFFAOYSA-N 0 0 338.751 2.534 10 5 EFBERN O=C(Nc1ccnn1C1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001627355263 1099984325 /nfs/dbraw/zinc/98/43/25/1099984325.db2.gz FCRXKKCJVXAIDP-UHFFFAOYSA-N 0 0 326.316 2.645 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2ccccc2)CC1 ZINC001627374000 1099986245 /nfs/dbraw/zinc/98/62/45/1099986245.db2.gz IBCKWUSIGMDDTQ-UHFFFAOYSA-N 0 0 340.383 2.894 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001627391731 1099989270 /nfs/dbraw/zinc/98/92/70/1099989270.db2.gz RJHWNLGSQYBDEW-LLVKDONJSA-N 0 0 345.330 2.965 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001627391734 1099989738 /nfs/dbraw/zinc/98/97/38/1099989738.db2.gz RJHWNLGSQYBDEW-NSHDSACASA-N 0 0 345.330 2.965 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc3c(n2)CC[C@@H](C)C3)c1 ZINC001627453616 1099998469 /nfs/dbraw/zinc/99/84/69/1099998469.db2.gz CSDGBBLQMJMEJL-SNVBAGLBSA-N 0 0 342.355 2.771 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC001627562736 1100009522 /nfs/dbraw/zinc/00/95/22/1100009522.db2.gz YDXXRYFRVZLVNN-LLVKDONJSA-N 0 0 343.387 2.786 10 5 EFBERN COc1ccc(F)cc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001627581526 1100010188 /nfs/dbraw/zinc/01/01/88/1100010188.db2.gz GXQWEHKSCIGZDB-UHFFFAOYSA-N 0 0 340.257 2.951 10 5 EFBERN COc1ccc(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC001627582167 1100010564 /nfs/dbraw/zinc/01/05/64/1100010564.db2.gz NZOVZOJWOQUUSO-UHFFFAOYSA-N 0 0 336.294 2.741 10 5 EFBERN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1F ZINC001627582866 1100011512 /nfs/dbraw/zinc/01/15/12/1100011512.db2.gz ZTGUMLTWVOSFPB-UHFFFAOYSA-N 0 0 340.257 2.951 10 5 EFBERN CCc1ccc(C(=O)N2Cc3ccccc3NC(=O)C2)cc1[N+](=O)[O-] ZINC001627596123 1100013378 /nfs/dbraw/zinc/01/33/78/1100013378.db2.gz FDIVICDXFFTOHS-UHFFFAOYSA-N 0 0 339.351 2.752 10 5 EFBERN COc1cc(C(=O)Nc2cnc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC001627764024 1100031041 /nfs/dbraw/zinc/03/10/41/1100031041.db2.gz ZYIBAYSWTRNPFM-UHFFFAOYSA-N 0 0 327.218 2.668 10 5 EFBERN Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C(F)(F)F)o1 ZINC001627810075 1100034471 /nfs/dbraw/zinc/03/44/71/1100034471.db2.gz NEXFCVADFIWGIB-JTQLQIEISA-N 0 0 344.249 2.507 10 5 EFBERN C[C@@H](CC(C)(C)O)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001627818486 1100035353 /nfs/dbraw/zinc/03/53/53/1100035353.db2.gz QCGBXPWGMBOJHD-JTQLQIEISA-N 0 0 331.372 2.610 10 5 EFBERN Nc1c(C(=O)N2CCCCC[C@@H]2CO)cc2ccccc2c1[N+](=O)[O-] ZINC001627881496 1100039906 /nfs/dbraw/zinc/03/99/06/1100039906.db2.gz SOSCHNSPQFATSS-CYBMUJFWSA-N 0 0 343.383 2.707 10 5 EFBERN CCCN1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1=O ZINC001627932861 1100043510 /nfs/dbraw/zinc/04/35/10/1100043510.db2.gz ZXBGGHGDVAZWAL-LBPRGKRZSA-N 0 0 341.367 2.945 10 5 EFBERN CCCN1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1=O ZINC001627932860 1100043904 /nfs/dbraw/zinc/04/39/04/1100043904.db2.gz ZXBGGHGDVAZWAL-GFCCVEGCSA-N 0 0 341.367 2.945 10 5 EFBERN O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001627975930 1100046779 /nfs/dbraw/zinc/04/67/79/1100046779.db2.gz PHPXMRDTILBELS-BZUAXINKSA-N 0 0 330.384 2.700 10 5 EFBERN COc1cc(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])cc(OC)c1 ZINC001627965492 1100046991 /nfs/dbraw/zinc/04/69/91/1100046991.db2.gz HYZYBGNLYGYTNX-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN CC(C)C(=O)c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001627990327 1100048051 /nfs/dbraw/zinc/04/80/51/1100048051.db2.gz RKWMMAVWQKQVGY-UHFFFAOYSA-N 0 0 329.312 2.786 10 5 EFBERN C[S@@](=O)Cc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001627992778 1100049057 /nfs/dbraw/zinc/04/90/57/1100049057.db2.gz DMYFVZVOJWWVLA-HSZRJFAPSA-N 0 0 336.344 2.865 10 5 EFBERN CCc1c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]c1-c1ccncc1 ZINC001628016698 1100050883 /nfs/dbraw/zinc/05/08/83/1100050883.db2.gz NUBDQLKXOBTOKG-UHFFFAOYSA-N 0 0 326.316 2.523 10 5 EFBERN Cc1nccnc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001628038949 1100053702 /nfs/dbraw/zinc/05/37/02/1100053702.db2.gz JXEINVUOETXTPS-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC001628080251 1100059188 /nfs/dbraw/zinc/05/91/88/1100059188.db2.gz LKXMQOWQWSUKBT-UHFFFAOYSA-N 0 0 329.291 2.904 10 5 EFBERN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001628103376 1100062941 /nfs/dbraw/zinc/06/29/41/1100062941.db2.gz KWTNIJICTJJLBA-ZENOOKHLSA-N 0 0 346.383 2.768 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)c1ccccc1[N+](=O)[O-])CCO2 ZINC001628166750 1100069970 /nfs/dbraw/zinc/06/99/70/1100069970.db2.gz KNIBOXWFISJNJM-UHFFFAOYSA-N 0 0 328.324 2.638 10 5 EFBERN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001628211307 1100077589 /nfs/dbraw/zinc/07/75/89/1100077589.db2.gz SAYDFQFNTQDSPA-INIZCTEOSA-N 0 0 348.786 2.983 10 5 EFBERN Cc1cccc2nc(CCNC(=O)c3cc(F)ccc3[N+](=O)[O-])cn21 ZINC001628255664 1100083502 /nfs/dbraw/zinc/08/35/02/1100083502.db2.gz XDFQYAAYUXFUQD-UHFFFAOYSA-N 0 0 342.330 2.663 10 5 EFBERN Cc1nnc(-c2ccc(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)cc2)o1 ZINC001628359121 1100092963 /nfs/dbraw/zinc/09/29/63/1100092963.db2.gz NRJDTTKOXOTZEU-UHFFFAOYSA-N 0 0 348.706 2.582 10 5 EFBERN CNc1ccc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])nc1 ZINC001628380127 1100096277 /nfs/dbraw/zinc/09/62/77/1100096277.db2.gz BYBOUERLAHTOKY-UHFFFAOYSA-N 0 0 343.387 2.572 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC001628468989 1100104909 /nfs/dbraw/zinc/10/49/09/1100104909.db2.gz CAFYTFLHZQXFMH-LLVKDONJSA-N 0 0 330.369 2.608 10 5 EFBERN O=C(c1c2nc[nH]c2ccc1F)N1CCc2c1cccc2[N+](=O)[O-] ZINC001628523236 1100109596 /nfs/dbraw/zinc/10/95/96/1100109596.db2.gz FIVYGELIGVKYSI-UHFFFAOYSA-N 0 0 326.287 2.813 10 5 EFBERN CC(C)c1nccn1CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001628519806 1100109642 /nfs/dbraw/zinc/10/96/42/1100109642.db2.gz KTOIQDZTTKXDSQ-UHFFFAOYSA-N 0 0 336.779 2.998 10 5 EFBERN Cc1nocc1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001628619771 1100117051 /nfs/dbraw/zinc/11/70/51/1100117051.db2.gz SSILTNKDTPPQKB-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN C/C(=C(\F)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001628618200 1100117399 /nfs/dbraw/zinc/11/73/99/1100117399.db2.gz JSZGQGZHUDQOKG-FOWTUZBSSA-N 0 0 333.363 2.897 10 5 EFBERN O=C(NN1CCc2ccccc2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001628724785 1100128140 /nfs/dbraw/zinc/12/81/40/1100128140.db2.gz BXYAVYDRKOJCBC-UHFFFAOYSA-N 0 0 336.351 2.779 10 5 EFBERN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3N)ccc2n1C ZINC001628831759 1100139445 /nfs/dbraw/zinc/13/94/45/1100139445.db2.gz KPGLUGJNKIOTPR-UHFFFAOYSA-N 0 0 325.328 2.624 10 5 EFBERN Nc1c(C(=O)NCCCOCC2CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001628890477 1100147049 /nfs/dbraw/zinc/14/70/49/1100147049.db2.gz UPAXLTOBKRHISI-UHFFFAOYSA-N 0 0 345.758 2.516 10 5 EFBERN Cc1c(CC(=O)Nc2ccc3c(cc[nH]c3=O)c2)cccc1[N+](=O)[O-] ZINC001628913564 1100148279 /nfs/dbraw/zinc/14/82/79/1100148279.db2.gz WYRFCCGKTZYWJT-UHFFFAOYSA-N 0 0 337.335 2.926 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cnc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC001628946799 1100152002 /nfs/dbraw/zinc/15/20/02/1100152002.db2.gz MLDROMFPCJHVIF-SNVBAGLBSA-N 0 0 325.328 2.666 10 5 EFBERN Cc1cnn([C@H]2CCN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC001628948199 1100152069 /nfs/dbraw/zinc/15/20/69/1100152069.db2.gz PTLWLRVWNVNAJY-ZDUSSCGKSA-N 0 0 348.790 2.769 10 5 EFBERN COc1cc(C(=O)NCCN(C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC001628968127 1100154568 /nfs/dbraw/zinc/15/45/68/1100154568.db2.gz RNIBBGHCNFCDIT-UHFFFAOYSA-N 0 0 347.346 2.609 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001629031840 1100162731 /nfs/dbraw/zinc/16/27/31/1100162731.db2.gz OTEKTWOFIUULKV-MNOVXSKESA-N 0 0 330.718 2.904 10 5 EFBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001629036090 1100163268 /nfs/dbraw/zinc/16/32/68/1100163268.db2.gz SCOYUMWUUPSQHM-NEPJUHHUSA-N 0 0 348.309 2.712 10 5 EFBERN Cc1ccoc1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001629053114 1100164108 /nfs/dbraw/zinc/16/41/08/1100164108.db2.gz DMUYZNHCYSDOIA-UHFFFAOYSA-N 0 0 326.312 2.816 10 5 EFBERN CN(Cc1c[nH]cn1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001629183257 1100178123 /nfs/dbraw/zinc/17/81/23/1100178123.db2.gz JTEKLNKROWNZOF-UHFFFAOYSA-N 0 0 328.250 2.609 10 5 EFBERN COc1ccc2[nH]c(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2c1 ZINC001629189282 1100178339 /nfs/dbraw/zinc/17/83/39/1100178339.db2.gz KKFKRVGYBLSKDK-UHFFFAOYSA-N 0 0 326.312 2.919 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC001629214586 1100183009 /nfs/dbraw/zinc/18/30/09/1100183009.db2.gz QYLHGZIBTZXGHK-AWEZNQCLSA-N 0 0 345.330 2.571 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001629238772 1100184616 /nfs/dbraw/zinc/18/46/16/1100184616.db2.gz UHWHCHFREVLAOE-ZDUSSCGKSA-N 0 0 348.309 2.828 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)CC(=O)N2 ZINC001629314696 1100195691 /nfs/dbraw/zinc/19/56/91/1100195691.db2.gz GAXCLLHXOGFEPG-UHFFFAOYSA-N 0 0 343.314 2.800 10 5 EFBERN O=C(Nn1cccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001629325399 1100197238 /nfs/dbraw/zinc/19/72/38/1100197238.db2.gz GCLSUXLOSSSGLH-UHFFFAOYSA-N 0 0 337.339 2.787 10 5 EFBERN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001629353815 1100201657 /nfs/dbraw/zinc/20/16/57/1100201657.db2.gz 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COc1ccc(C[C@@H]2CCN2C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001629635637 1100230556 /nfs/dbraw/zinc/23/05/56/1100230556.db2.gz SQPNHAIZIMRHBJ-ZDUSSCGKSA-N 0 0 341.367 2.643 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-c1ncc[nH]1 ZINC001629653866 1100233407 /nfs/dbraw/zinc/23/34/07/1100233407.db2.gz IRJYIQVKVVNLHX-UHFFFAOYSA-N 0 0 336.351 2.844 10 5 EFBERN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001629672506 1100234933 /nfs/dbraw/zinc/23/49/33/1100234933.db2.gz RHKUINIDAAMTOB-UHFFFAOYSA-N 0 0 342.277 2.999 10 5 EFBERN C[C@@H]1c2c(F)cccc2CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001629794257 1100247173 /nfs/dbraw/zinc/24/71/73/1100247173.db2.gz CNYGLFSBMVBFEK-SSDOTTSWSA-N 0 0 338.726 2.870 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ncccn1 ZINC001629866388 1100253669 /nfs/dbraw/zinc/25/36/69/1100253669.db2.gz DWGKRAMCAZMHAD-CYBMUJFWSA-N 0 0 330.319 2.810 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCCc2c[nH]nc21 ZINC001629891265 1100256900 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O=C(Nc1ccc(CO)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001631223309 1100381970 /nfs/dbraw/zinc/38/19/70/1100381970.db2.gz ITZFHZPJPVUUJM-UHFFFAOYSA-N 0 0 338.323 2.730 10 5 EFBERN COc1ccc(NC(=O)c2cnn3ccc(C)cc23)cc1[N+](=O)[O-] ZINC001631347186 1100390938 /nfs/dbraw/zinc/39/09/38/1100390938.db2.gz LRAXHKJXLCJVKI-UHFFFAOYSA-N 0 0 326.312 2.812 10 5 EFBERN COc1cc(C(=O)N2CC3(CCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001631396475 1100394438 /nfs/dbraw/zinc/39/44/38/1100394438.db2.gz MCPWKYQMFSALKR-UHFFFAOYSA-N 0 0 342.298 2.831 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1cccc(F)c1 ZINC001631419577 1100396518 /nfs/dbraw/zinc/39/65/18/1100396518.db2.gz VAEPIELQYJVWTR-HNNXBMFYSA-N 0 0 332.331 2.814 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC001631432248 1100398139 /nfs/dbraw/zinc/39/81/39/1100398139.db2.gz UJGIFIHWMZCNDD-UHFFFAOYSA-N 0 0 342.351 2.535 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001631431658 1100398178 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EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001631788476 1100428370 /nfs/dbraw/zinc/42/83/70/1100428370.db2.gz UZCZAHIPOZWPSX-AWEZNQCLSA-N 0 0 345.742 2.541 10 5 EFBERN CC(C)(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)cn1 ZINC001631797710 1100428735 /nfs/dbraw/zinc/42/87/35/1100428735.db2.gz WMAFMNFVQXQLRX-UHFFFAOYSA-N 0 0 344.371 2.679 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001631788477 1100428763 /nfs/dbraw/zinc/42/87/63/1100428763.db2.gz UZCZAHIPOZWPSX-CQSZACIVSA-N 0 0 345.742 2.541 10 5 EFBERN CNc1ccc(C(=O)N2CCOc3cc(F)c(F)cc32)cc1[N+](=O)[O-] ZINC001631874026 1100435510 /nfs/dbraw/zinc/43/55/10/1100435510.db2.gz KYSCEEOGNBIHPI-UHFFFAOYSA-N 0 0 349.293 2.954 10 5 EFBERN CC[C@]1(O)CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001631887539 1100437348 /nfs/dbraw/zinc/43/73/48/1100437348.db2.gz FSAWQSUCBJFMND-HNNXBMFYSA-N 0 0 326.780 2.554 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnn2c1CCCC2 ZINC001631986303 1100445004 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347.396 2.722 10 5 EFBERN O=C(NCc1ccc(-c2cccs2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC001632342286 1100467353 /nfs/dbraw/zinc/46/73/53/1100467353.db2.gz QHJPUEACCRFZSR-UHFFFAOYSA-N 0 0 328.353 2.976 10 5 EFBERN COc1ccc(C(=O)Nc2ccc3c(cc[nH]c3=O)c2)cc1[N+](=O)[O-] ZINC001632454977 1100475382 /nfs/dbraw/zinc/47/53/82/1100475382.db2.gz QUFSYDZJOYWKEN-UHFFFAOYSA-N 0 0 339.307 2.697 10 5 EFBERN O=C(Nc1ccnn1C1CCCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001632444268 1100475517 /nfs/dbraw/zinc/47/55/17/1100475517.db2.gz DKRZXZYVHSNQEU-UHFFFAOYSA-N 0 0 338.755 2.925 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1(C2CC2)CCOCC1 ZINC001632459452 1100476221 /nfs/dbraw/zinc/47/62/21/1100476221.db2.gz GBBWHRNEWHMMEI-UHFFFAOYSA-N 0 0 338.791 2.866 10 5 EFBERN C=CC(=O)Nc1cccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC001632510589 1100479378 /nfs/dbraw/zinc/47/93/78/1100479378.db2.gz HCERYSGMLGHMGF-UHFFFAOYSA-N 0 0 341.323 2.980 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1c2ccccc2C[C@@H]1CO ZINC001632534238 1100481085 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COc1cccc(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC001632981631 1100512685 /nfs/dbraw/zinc/51/26/85/1100512685.db2.gz OGCVVLNWRWJLCT-UHFFFAOYSA-N 0 0 328.324 2.525 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)Cc2cncnc21 ZINC001633009047 1100516174 /nfs/dbraw/zinc/51/61/74/1100516174.db2.gz UXRDXTXYZSSZCV-NSHDSACASA-N 0 0 349.350 2.693 10 5 EFBERN Cc1cc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(N)=O ZINC001633056943 1100519218 /nfs/dbraw/zinc/51/92/18/1100519218.db2.gz DMSYJZQPTJBSEV-UHFFFAOYSA-N 0 0 347.758 2.837 10 5 EFBERN COc1c(C(=O)NCc2nc3c(cccc3F)[nH]2)cccc1[N+](=O)[O-] ZINC001633080948 1100521204 /nfs/dbraw/zinc/52/12/04/1100521204.db2.gz GZZJJTVTLSDDDB-UHFFFAOYSA-N 0 0 344.302 2.549 10 5 EFBERN Cc1c(C(=O)N2CCC[C@H](CF)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001633225267 1100529027 /nfs/dbraw/zinc/52/90/27/1100529027.db2.gz DHIPMQSSWZAWLS-LLVKDONJSA-N 0 0 339.323 2.942 10 5 EFBERN COc1cc(C)c(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001633219353 1100529379 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1100688199 /nfs/dbraw/zinc/68/81/99/1100688199.db2.gz CUVRPLDRCYVABO-XMMPIXPASA-N 0 0 346.408 2.961 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001635990733 1100691052 /nfs/dbraw/zinc/69/10/52/1100691052.db2.gz DRLKJQHHJIGZEA-ZDUSSCGKSA-N 0 0 333.731 2.694 10 5 EFBERN COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1O ZINC001636015020 1100693400 /nfs/dbraw/zinc/69/34/00/1100693400.db2.gz XVMHIZIKXNYOCU-HUUCEWRRSA-N 0 0 342.351 2.729 10 5 EFBERN COc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)ccc1O ZINC001636015022 1100693551 /nfs/dbraw/zinc/69/35/51/1100693551.db2.gz XVMHIZIKXNYOCU-LSDHHAIUSA-N 0 0 342.351 2.729 10 5 EFBERN COc1cc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)ccc1O ZINC001636015018 1100693939 /nfs/dbraw/zinc/69/39/39/1100693939.db2.gz XVMHIZIKXNYOCU-GJZGRUSLSA-N 0 0 342.351 2.729 10 5 EFBERN Cc1oncc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001636028595 1100694681 /nfs/dbraw/zinc/69/46/81/1100694681.db2.gz MEVRZPNEIXLAQX-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN COC(=O)C[C@@](C)(NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC001636021866 1100694757 /nfs/dbraw/zinc/69/47/57/1100694757.db2.gz ORYNPOUKSWQQPY-QGZVFWFLSA-N 0 0 345.355 2.538 10 5 EFBERN CN(CCCn1ccnc1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636035379 1100695616 /nfs/dbraw/zinc/69/56/16/1100695616.db2.gz LIKAQVIRVRGXAW-UHFFFAOYSA-N 0 0 336.779 2.536 10 5 EFBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1CO ZINC001636046614 1100696710 /nfs/dbraw/zinc/69/67/10/1100696710.db2.gz CAWGDYXLBDJTBS-UHFFFAOYSA-N 0 0 330.340 2.965 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCc1cccc(O)c1 ZINC001636057586 1100697108 /nfs/dbraw/zinc/69/71/08/1100697108.db2.gz GJCAWARBWCHAML-UHFFFAOYSA-N 0 0 334.759 2.855 10 5 EFBERN CC[C@H](C[C@@H](C)O)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001636056856 1100697446 /nfs/dbraw/zinc/69/74/46/1100697446.db2.gz ZEBFXECOENXOLJ-ZYHUDNBSSA-N 0 0 344.795 2.683 10 5 EFBERN O=C(NCc1cc2c([nH]c1=O)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC001636073765 1100698888 /nfs/dbraw/zinc/69/88/88/1100698888.db2.gz CCWVQZJHWMLNNM-UHFFFAOYSA-N 0 0 345.330 2.643 10 5 EFBERN CNc1nccc(C(=O)N2CCC[C@H]2c2cncc(C)c2)c1[N+](=O)[O-] ZINC001636069184 1100699260 /nfs/dbraw/zinc/69/92/60/1100699260.db2.gz LZXSDYJCVVCHCI-AWEZNQCLSA-N 0 0 341.371 2.712 10 5 EFBERN CCOC(=O)c1cn(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001636092500 1100700355 /nfs/dbraw/zinc/70/03/55/1100700355.db2.gz QBMLCOPAOHMPFV-UHFFFAOYSA-N 0 0 335.291 2.501 10 5 EFBERN CNc1nccc(C(=O)N[C@H](c2ccccc2)C(F)F)c1[N+](=O)[O-] ZINC001636155296 1100703016 /nfs/dbraw/zinc/70/30/16/1100703016.db2.gz RZTXQDFMROAIAX-LLVKDONJSA-N 0 0 336.298 2.768 10 5 EFBERN CNc1nccc(C(=O)N2CCC=C(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001636252885 1100709546 /nfs/dbraw/zinc/70/95/46/1100709546.db2.gz HUUCXZBPHHJYLH-UHFFFAOYSA-N 0 0 338.367 2.961 10 5 EFBERN CC(=O)NC1(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC001636284360 1100711297 /nfs/dbraw/zinc/71/12/97/1100711297.db2.gz MXWGALBLITVBSN-ZDUSSCGKSA-N 0 0 347.415 2.654 10 5 EFBERN COc1ccccc1[C@H](O)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001636289955 1100711400 /nfs/dbraw/zinc/71/14/00/1100711400.db2.gz WRKCAHKXEFUITP-SJCJKPOMSA-N 0 0 344.367 2.557 10 5 EFBERN O=C(NC[C@H]1CSc2ccccc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001636296934 1100712000 /nfs/dbraw/zinc/71/20/00/1100712000.db2.gz YHAUPKCGMQPDCB-BLLLJJGKSA-N 0 0 344.392 2.634 10 5 EFBERN Cc1cc(C(=O)NCc2cc3cnccc3o2)c(N)c([N+](=O)[O-])c1 ZINC001636302324 1100712096 /nfs/dbraw/zinc/71/20/96/1100712096.db2.gz KIQDSYDTROYCNP-UHFFFAOYSA-N 0 0 326.312 2.557 10 5 EFBERN CNc1nccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001636321213 1100713808 /nfs/dbraw/zinc/71/38/08/1100713808.db2.gz DVUJOBIYLFTUHF-IANATYFASA-N 0 0 330.388 2.540 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC001636349788 1100714590 /nfs/dbraw/zinc/71/45/90/1100714590.db2.gz WTWMITJZQPYGQA-UHFFFAOYSA-N 0 0 329.312 2.524 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(Br)s1 ZINC000050704160 1100717629 /nfs/dbraw/zinc/71/76/29/1100717629.db2.gz XDQPGFXFBBKAMM-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN Cc1cnccc1CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001636517548 1100723439 /nfs/dbraw/zinc/72/34/39/1100723439.db2.gz XJIFTPDLEKOKRV-UHFFFAOYSA-N 0 0 334.763 2.506 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2Cc3cncnc3[C@@H](C)C2)c1F ZINC001636527087 1100725003 /nfs/dbraw/zinc/72/50/03/1100725003.db2.gz TUDKRFMATZHLGN-VIFPVBQESA-N 0 0 348.309 2.731 10 5 EFBERN Cc1nc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)oc1C ZINC001636558574 1100726457 /nfs/dbraw/zinc/72/64/57/1100726457.db2.gz LUPYXIHIMJPUMA-UHFFFAOYSA-N 0 0 342.714 2.504 10 5 EFBERN Nc1c(C(=O)N2CCC[C@H](CCO)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001636643434 1100731054 /nfs/dbraw/zinc/73/10/54/1100731054.db2.gz FTFZQEQOKYSRHX-GFCCVEGCSA-N 0 0 343.383 2.565 10 5 EFBERN Nc1c(C(=O)NC2(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC001636689544 1100733339 /nfs/dbraw/zinc/73/33/39/1100733339.db2.gz JRWSZBNLVKXYOX-UHFFFAOYSA-N 0 0 329.331 2.821 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC1(Cc2ccc(F)cc2)CC1 ZINC001636690273 1100733589 /nfs/dbraw/zinc/73/35/89/1100733589.db2.gz YPGNBXQUJNJQPZ-UHFFFAOYSA-N 0 0 329.331 2.821 10 5 EFBERN Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001636723786 1100734116 /nfs/dbraw/zinc/73/41/16/1100734116.db2.gz AXKGCZGISGXJSY-YVEFUNNKSA-N 0 0 343.383 2.897 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)c(N)c1[N+](=O)[O-] ZINC001636724194 1100734235 /nfs/dbraw/zinc/73/42/35/1100734235.db2.gz RAXGBKHATQKOEV-AWEZNQCLSA-N 0 0 340.339 2.617 10 5 EFBERN CCCOc1cccnc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001636723906 1100734396 /nfs/dbraw/zinc/73/43/96/1100734396.db2.gz GGBUFJAYCSCMIO-UHFFFAOYSA-N 0 0 330.344 2.922 10 5 EFBERN CC(C)[C@@H]1N(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1(C)C ZINC001636764466 1100736542 /nfs/dbraw/zinc/73/65/42/1100736542.db2.gz XMGBLBXBVXMGBB-HNNXBMFYSA-N 0 0 343.387 2.682 10 5 EFBERN CCO/C=C\C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001636818358 1100739760 /nfs/dbraw/zinc/73/97/60/1100739760.db2.gz UGPNGEIYDHOLMI-WAYWQWQTSA-N 0 0 329.150 2.524 10 5 EFBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2cc(Cl)ccc21 ZINC001636904030 1100744626 /nfs/dbraw/zinc/74/46/26/1100744626.db2.gz RSTRGQOQNZAKBL-HNNXBMFYSA-N 0 0 332.743 2.871 10 5 EFBERN O=C(Nc1n[nH]cc1-c1ccccc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001636981947 1100748498 /nfs/dbraw/zinc/74/84/98/1100748498.db2.gz CBXMCYHVVZOVAH-OAHLLOKOSA-N 0 0 338.323 2.657 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC2(CC2)Oc2ccccc21 ZINC001636986550 1100748519 /nfs/dbraw/zinc/74/85/19/1100748519.db2.gz PONSUVXODURGCH-UHFFFAOYSA-N 0 0 343.314 2.888 10 5 EFBERN CCn1ncc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1C ZINC001637003564 1100750170 /nfs/dbraw/zinc/75/01/70/1100750170.db2.gz MMBOCMSVBJLADM-UHFFFAOYSA-N 0 0 340.343 2.762 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2ccc(CCO)cc2)c1[N+](=O)[O-] ZINC001637016877 1100751261 /nfs/dbraw/zinc/75/12/61/1100751261.db2.gz SPNWWEPVMBCEIG-UHFFFAOYSA-N 0 0 332.331 2.507 10 5 EFBERN COc1ccc(NC(=O)c2cc(F)c(C=O)cc2F)cc1[N+](=O)[O-] ZINC001637052707 1100754309 /nfs/dbraw/zinc/75/43/09/1100754309.db2.gz YQFVDUYQWHJIBA-UHFFFAOYSA-N 0 0 336.250 2.946 10 5 EFBERN CO[C@](C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC001637056549 1100754809 /nfs/dbraw/zinc/75/48/09/1100754809.db2.gz VYRMCFDCGGMNHB-QGZVFWFLSA-N 0 0 347.346 2.608 10 5 EFBERN CNc1ccc(C(=O)Nc2sccc2C(=O)OC)cc1[N+](=O)[O-] ZINC001637065278 1100755781 /nfs/dbraw/zinc/75/57/81/1100755781.db2.gz VXRSGPCQBHLRDZ-UHFFFAOYSA-N 0 0 335.341 2.737 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](O)CCc1ccccc1 ZINC001637103570 1100757935 /nfs/dbraw/zinc/75/79/35/1100757935.db2.gz MLJNYANOZYUCBR-MRXNPFEDSA-N 0 0 344.367 2.926 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NOC/C=C/Cl ZINC001637189546 1100764104 /nfs/dbraw/zinc/76/41/04/1100764104.db2.gz LEVRHWHDMYNGOD-NSCUHMNNSA-N 0 0 348.142 2.621 10 5 EFBERN Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1[N+](=O)[O-] ZINC001637194032 1100764262 /nfs/dbraw/zinc/76/42/62/1100764262.db2.gz BLQMWOXSGCJCSG-UHFFFAOYSA-N 0 0 346.368 2.839 10 5 EFBERN O=C(N[C@@H](c1ccccc1)C(F)F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001637270645 1100768323 /nfs/dbraw/zinc/76/83/23/1100768323.db2.gz YADSOGNFDQTKEO-QMMMGPOBSA-N 0 0 330.678 2.708 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001637268741 1100768574 /nfs/dbraw/zinc/76/85/74/1100768574.db2.gz ZHTUDSQGYCGROK-CYBMUJFWSA-N 0 0 329.356 2.866 10 5 EFBERN COc1ccc(CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1O ZINC001637322547 1100773108 /nfs/dbraw/zinc/77/31/08/1100773108.db2.gz BRIOUXFDLVQNIP-UHFFFAOYSA-N 0 0 344.367 2.898 10 5 EFBERN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)c1ccccc1 ZINC001637387827 1100779148 /nfs/dbraw/zinc/77/91/48/1100779148.db2.gz LSFXATVLBJVGQV-MRXNPFEDSA-N 0 0 348.786 2.983 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(Cl)s1 ZINC001637415696 1100781456 /nfs/dbraw/zinc/78/14/56/1100781456.db2.gz DKAXFBNLHFSMJJ-UHFFFAOYSA-N 0 0 326.765 2.676 10 5 EFBERN COc1c(C(=O)N[C@H]2CC(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC001637419867 1100781462 /nfs/dbraw/zinc/78/14/62/1100781462.db2.gz SRGPISVIPWQSSP-ZDUSSCGKSA-N 0 0 326.308 2.661 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(c2ccc(F)cc2)C1 ZINC001637436390 1100782929 /nfs/dbraw/zinc/78/29/29/1100782929.db2.gz RPJOLIVIYYBLBE-UHFFFAOYSA-N 0 0 330.315 2.982 10 5 EFBERN C[C@H](c1ccccc1)N(CCO)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001637437787 1100783088 /nfs/dbraw/zinc/78/30/88/1100783088.db2.gz RJSJKBGLPYIJNR-CQSZACIVSA-N 0 0 328.368 2.719 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc3c(n2)CCCC3)c1[N+](=O)[O-] ZINC001637447773 1100783284 /nfs/dbraw/zinc/78/32/84/1100783284.db2.gz ZGZSZVLODWEPFG-UHFFFAOYSA-N 0 0 327.344 2.558 10 5 EFBERN Cc1csc([C@@H]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)C2)n1 ZINC001637460207 1100784053 /nfs/dbraw/zinc/78/40/53/1100784053.db2.gz HCPXNRYKJDFBSF-LLVKDONJSA-N 0 0 346.412 2.880 10 5 EFBERN CC(C)Oc1cc(F)ccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637460628 1100784073 /nfs/dbraw/zinc/78/40/73/1100784073.db2.gz MNDZAYFGMZIPTB-UHFFFAOYSA-N 0 0 334.307 2.751 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCc2ncc(Cl)n2C)cc1[N+](=O)[O-] ZINC001637593903 1100793009 /nfs/dbraw/zinc/79/30/09/1100793009.db2.gz MZRIYPAMFGQXJH-UHFFFAOYSA-N 0 0 343.170 2.874 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc3c(cc2[nH]1)OCO3 ZINC001637700817 1100800257 /nfs/dbraw/zinc/80/02/57/1100800257.db2.gz GIJLHIFEKBGXAZ-UHFFFAOYSA-N 0 0 340.295 2.761 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC001637701802 1100800837 /nfs/dbraw/zinc/80/08/37/1100800837.db2.gz BUFKUQHCOQHTBJ-OAHLLOKOSA-N 0 0 341.371 2.644 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)c1cccc([N+](=O)[O-])c1Cl ZINC001637771958 1100804524 /nfs/dbraw/zinc/80/45/24/1100804524.db2.gz YUZKJUCLLSHWMZ-UHFFFAOYSA-N 0 0 331.715 2.995 10 5 EFBERN O=[N+]([O-])c1cccnc1NCCNc1ncccc1C(F)(F)F ZINC000052430287 1100805687 /nfs/dbraw/zinc/80/56/87/1100805687.db2.gz HZQNQEHEAPKRLE-UHFFFAOYSA-N 0 0 327.266 2.928 10 5 EFBERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001637804078 1100806562 /nfs/dbraw/zinc/80/65/62/1100806562.db2.gz MCDYNKLMPRZLTD-IINYFYTJSA-N 0 0 345.355 2.538 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](CO)c1ccccc1 ZINC001637796328 1100807129 /nfs/dbraw/zinc/80/71/29/1100807129.db2.gz GMGFQTLXBWWKCD-CQSZACIVSA-N 0 0 334.759 2.641 10 5 EFBERN CCO[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637879269 1100813387 /nfs/dbraw/zinc/81/33/87/1100813387.db2.gz FRXGGVHEZMUFBH-TZMCWYRMSA-N 0 0 326.780 2.865 10 5 EFBERN Nc1c(C(=O)N2CCC[C@H](CO)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001637882903 1100814299 /nfs/dbraw/zinc/81/42/99/1100814299.db2.gz XYAUQACOPOBNPV-LBPRGKRZSA-N 0 0 343.383 2.565 10 5 EFBERN C[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC001637925237 1100818269 /nfs/dbraw/zinc/81/82/69/1100818269.db2.gz BVSHJIHKMLWFQO-YYUOZPCZSA-N 0 0 346.408 2.964 10 5 EFBERN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001637940514 1100819341 /nfs/dbraw/zinc/81/93/41/1100819341.db2.gz AKRNGUGREQPEFK-JTQLQIEISA-N 0 0 344.346 2.915 10 5 EFBERN C[C@@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC001638001511 1100825206 /nfs/dbraw/zinc/82/52/06/1100825206.db2.gz QEAOMLQWYRUULZ-QMMMGPOBSA-N 0 0 344.293 2.718 10 5 EFBERN O=C(NC/C=C/Cl)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001638021649 1100825855 /nfs/dbraw/zinc/82/58/55/1100825855.db2.gz VGXWKSHQNRMERL-DAFODLJHSA-N 0 0 348.584 2.909 10 5 EFBERN Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001638119164 1100835140 /nfs/dbraw/zinc/83/51/40/1100835140.db2.gz KUYJRKZMYFWHRW-UHFFFAOYSA-N 0 0 325.328 2.664 10 5 EFBERN CC1(C)C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001638133559 1100836323 /nfs/dbraw/zinc/83/63/23/1100836323.db2.gz POHVSMVMUPEZRB-LLVKDONJSA-N 0 0 326.780 2.865 10 5 EFBERN CN(C)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1C(F)(F)F ZINC001638160930 1100838520 /nfs/dbraw/zinc/83/85/20/1100838520.db2.gz FMHSEHPKZDXGLP-UHFFFAOYSA-N 0 0 343.265 2.655 10 5 EFBERN CN(C)c1cccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001638318782 1100849378 /nfs/dbraw/zinc/84/93/78/1100849378.db2.gz CLRODCGTWGVBLW-UHFFFAOYSA-N 0 0 342.355 2.657 10 5 EFBERN CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001638375197 1100853690 /nfs/dbraw/zinc/85/36/90/1100853690.db2.gz ZSIOZGZIKVDXAP-NXEZZACHSA-N 0 0 328.390 2.754 10 5 EFBERN Nc1ccc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1[N+](=O)[O-] ZINC001638381456 1100854558 /nfs/dbraw/zinc/85/45/58/1100854558.db2.gz JZERUKAXGBKAHD-UHFFFAOYSA-N 0 0 342.233 2.549 10 5 EFBERN Cc1ccnc([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001638382563 1100854590 /nfs/dbraw/zinc/85/45/90/1100854590.db2.gz JXPCPJAWETWVBR-SNVBAGLBSA-N 0 0 326.312 2.930 10 5 EFBERN CCCOc1ccc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC001638485180 1100863482 /nfs/dbraw/zinc/86/34/82/1100863482.db2.gz LOADYOOGPPQBAW-UHFFFAOYSA-N 0 0 344.371 2.599 10 5 EFBERN O=C(Nc1cc(CO)ccn1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001638556940 1100869252 /nfs/dbraw/zinc/86/92/52/1100869252.db2.gz UIWUAQUAFGDOQO-UHFFFAOYSA-N 0 0 341.245 2.753 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 ZINC001638687225 1100878522 /nfs/dbraw/zinc/87/85/22/1100878522.db2.gz VIUYVVBLQSFGTC-ZETCQYMHSA-N 0 0 344.249 2.796 10 5 EFBERN C[C@@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)c1ccccc1[N+](=O)[O-] ZINC001638707360 1100879725 /nfs/dbraw/zinc/87/97/25/1100879725.db2.gz ITIGTWZUJMIXCA-IHRRRGAJSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@@H](CNC(=O)N[C@@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001638707182 1100880352 /nfs/dbraw/zinc/88/03/52/1100880352.db2.gz FDEGTQSUKDSIMM-BBRMVZONSA-N 0 0 349.431 2.939 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001638730941 1100881887 /nfs/dbraw/zinc/88/18/87/1100881887.db2.gz VANJUXVDHRICMH-UHFFFAOYSA-N 0 0 347.321 2.770 10 5 EFBERN O=C(NOCc1ccccn1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001638730124 1100882749 /nfs/dbraw/zinc/88/27/49/1100882749.db2.gz UGPKQQUZTPGOBE-UHFFFAOYSA-N 0 0 341.245 2.870 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(F)(F)OC(F)(F)C1 ZINC001638736430 1100883108 /nfs/dbraw/zinc/88/31/08/1100883108.db2.gz GQMONBRXZAWLRL-UHFFFAOYSA-N 0 0 340.204 2.700 10 5 EFBERN C[C@H](C(=O)N1CC(F)(F)OC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC001638736109 1100883330 /nfs/dbraw/zinc/88/33/30/1100883330.db2.gz AMBAXNLYIXJTEQ-QMMMGPOBSA-N 0 0 336.241 2.743 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CCCC2)c1 ZINC001638775688 1100885861 /nfs/dbraw/zinc/88/58/61/1100885861.db2.gz NXASUMCGXKVINH-UHFFFAOYSA-N 0 0 333.323 2.880 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1n[nH]c2c1CCCC2 ZINC001638852298 1100891269 /nfs/dbraw/zinc/89/12/69/1100891269.db2.gz VUUVYMDLGITIPY-UHFFFAOYSA-N 0 0 337.339 2.997 10 5 EFBERN O=C(Nc1n[nH]cc1C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001638942839 1100900800 /nfs/dbraw/zinc/90/08/00/1100900800.db2.gz PXFIDGRCOCLOSA-UHFFFAOYSA-N 0 0 338.327 2.633 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(=O)OC ZINC001638978627 1100903079 /nfs/dbraw/zinc/90/30/79/1100903079.db2.gz OMNDHQHENKUHJU-RNCFNFMXSA-N 0 0 340.351 2.750 10 5 EFBERN COc1cc(C(N)=O)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001639018731 1100904561 /nfs/dbraw/zinc/90/45/61/1100904561.db2.gz AKLIBWMEIRSZQN-UHFFFAOYSA-N 0 0 349.730 2.608 10 5 EFBERN Cc1cccc(NCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC001639043979 1100907752 /nfs/dbraw/zinc/90/77/52/1100907752.db2.gz MFTCQJBOMVVRBH-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN Cc1ncccc1/C=C\C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001639087522 1100911189 /nfs/dbraw/zinc/91/11/89/1100911189.db2.gz FMBCVHLNLAHPAW-PLNGDYQASA-N 0 0 333.294 2.906 10 5 EFBERN CN(Cc1noc(C2CC2)n1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001639083754 1100911541 /nfs/dbraw/zinc/91/15/41/1100911541.db2.gz RLCWUOPQJLJTQJ-ZIAGYGMSSA-N 0 0 342.355 2.617 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)ccc1O ZINC001639087948 1100912257 /nfs/dbraw/zinc/91/22/57/1100912257.db2.gz ODSDSVDBVSKALV-UHFFFAOYSA-N 0 0 326.230 2.648 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2cnco2)cc1 ZINC001639096695 1100912369 /nfs/dbraw/zinc/91/23/69/1100912369.db2.gz LVDGHLWRZZMFSZ-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN C[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncon1 ZINC001639140871 1100918985 /nfs/dbraw/zinc/91/89/85/1100918985.db2.gz XBENLVDRYURBQA-SNVBAGLBSA-N 0 0 332.360 2.809 10 5 EFBERN COC(=O)/C=C/c1ccc(Oc2ncc([N+](=O)[O-])c(C)n2)c(OC)c1 ZINC001639235630 1100927224 /nfs/dbraw/zinc/92/72/24/1100927224.db2.gz IKBBLHLDZUPQKB-FNORWQNLSA-N 0 0 345.311 2.680 10 5 EFBERN Cn1cnc2ccc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])cc21 ZINC001639243139 1100929145 /nfs/dbraw/zinc/92/91/45/1100929145.db2.gz ZYFHWJLGXILRGY-UHFFFAOYSA-N 0 0 328.303 2.802 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2NCc1ccc(-n2cncn2)nc1 ZINC001639271858 1100932504 /nfs/dbraw/zinc/93/25/04/1100932504.db2.gz BCZZWZVYFOTMTB-UHFFFAOYSA-N 0 0 347.338 2.731 10 5 EFBERN NC(=O)c1cccc(CCNc2ccc3cnccc3c2[N+](=O)[O-])c1 ZINC001639399508 1100944161 /nfs/dbraw/zinc/94/41/61/1100944161.db2.gz IHCTWHAZYJIZGC-UHFFFAOYSA-N 0 0 336.351 2.897 10 5 EFBERN CN(CC(=O)O[C@H]1CCCC(C)(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000840237366 1100944348 /nfs/dbraw/zinc/94/43/48/1100944348.db2.gz JWPBAWLSOQKWFP-AWEZNQCLSA-N 0 0 334.372 2.722 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(Nc3cnn(Cc4ccccn4)c3)nc2c1 ZINC001639403675 1100945370 /nfs/dbraw/zinc/94/53/70/1100945370.db2.gz KDXHGNQCDRVUMH-UHFFFAOYSA-N 0 0 335.327 2.855 10 5 EFBERN COC(=O)c1ccnc(NCCc2cccc(F)c2F)c1[N+](=O)[O-] ZINC001639466276 1100952911 /nfs/dbraw/zinc/95/29/11/1100952911.db2.gz HBKKGFHEUNNZSJ-UHFFFAOYSA-N 0 0 337.282 2.709 10 5 EFBERN Cc1cc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(=O)[nH]1 ZINC001639473908 1100953884 /nfs/dbraw/zinc/95/38/84/1100953884.db2.gz OQGQQYHURSCZCT-UHFFFAOYSA-N 0 0 329.356 2.859 10 5 EFBERN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc(=O)[nH]1 ZINC001639474134 1100953967 /nfs/dbraw/zinc/95/39/67/1100953967.db2.gz YGNGDJRUZYXSLJ-UHFFFAOYSA-N 0 0 345.355 2.721 10 5 EFBERN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCCC1 ZINC001639489349 1100954835 /nfs/dbraw/zinc/95/48/35/1100954835.db2.gz GXQROMVWXGAXOT-CQSZACIVSA-N 0 0 337.376 2.555 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC001639560237 1100960816 /nfs/dbraw/zinc/96/08/16/1100960816.db2.gz KHJQMCUKOOYRQB-MRVPVSSYSA-N 0 0 332.187 2.881 10 5 EFBERN C[C@H](Oc1ccc(Oc2c(Cl)cncc2[N+](=O)[O-])cc1)C(N)=O ZINC001639558756 1100960992 /nfs/dbraw/zinc/96/09/92/1100960992.db2.gz SKLITZJFPKCLFG-QMMMGPOBSA-N 0 0 337.719 2.688 10 5 EFBERN NC(=O)c1cc(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])on1 ZINC001639594421 1100965273 /nfs/dbraw/zinc/96/52/73/1100965273.db2.gz SHQXVJJIZMQUPG-UHFFFAOYSA-N 0 0 331.115 2.601 10 5 EFBERN CCOC(=O)CC[C@@H](C)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001639664720 1100971328 /nfs/dbraw/zinc/97/13/28/1100971328.db2.gz RNJQTVTUZBDALR-SNVBAGLBSA-N 0 0 335.335 2.848 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1C[C@@H](O)Cc2ccccc21 ZINC001639762007 1100982434 /nfs/dbraw/zinc/98/24/34/1100982434.db2.gz MPNCDKUQWBFNGW-NSHDSACASA-N 0 0 332.743 2.812 10 5 EFBERN CC1(C)C[C@H](O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2O1 ZINC001639789325 1100982938 /nfs/dbraw/zinc/98/29/38/1100982938.db2.gz SCTJLLYGDDFEID-AWEZNQCLSA-N 0 0 343.339 2.837 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001639780520 1100983161 /nfs/dbraw/zinc/98/31/61/1100983161.db2.gz GPQCWSOYRMVTJV-SVGQVSJJSA-N 0 0 342.689 2.535 10 5 EFBERN NC(=O)c1cc(NCc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC001639809075 1100986345 /nfs/dbraw/zinc/98/63/45/1100986345.db2.gz RLTNQUBNKZCDTP-UHFFFAOYSA-N 0 0 340.133 2.661 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)c(O)cc1Cl ZINC001639829382 1100986948 /nfs/dbraw/zinc/98/69/48/1100986948.db2.gz IJZLBRGIPYAMNZ-UHFFFAOYSA-N 0 0 325.683 2.927 10 5 EFBERN Cc1cc(Oc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(F)cc1[N+](=O)[O-] ZINC001639820493 1100987782 /nfs/dbraw/zinc/98/77/82/1100987782.db2.gz QMUGPHFZAZWPST-UHFFFAOYSA-N 0 0 335.247 2.842 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001639883933 1100992031 /nfs/dbraw/zinc/99/20/31/1100992031.db2.gz NMCYPWBLHJEQFO-UHFFFAOYSA-N 0 0 342.355 2.591 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001639883615 1100992108 /nfs/dbraw/zinc/99/21/08/1100992108.db2.gz KZHUCOZFLPZUCA-SNVBAGLBSA-N 0 0 329.360 2.668 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)OC)s1 ZINC001639883333 1100992291 /nfs/dbraw/zinc/99/22/91/1100992291.db2.gz HTRPBGFBVJYGSE-UHFFFAOYSA-N 0 0 335.341 2.737 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC001639884130 1100992419 /nfs/dbraw/zinc/99/24/19/1100992419.db2.gz RGGIUUOCHQVHPM-UHFFFAOYSA-N 0 0 345.315 2.839 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1OC ZINC001639883561 1100992435 /nfs/dbraw/zinc/99/24/35/1100992435.db2.gz JJFLSPUBXAKXBS-UHFFFAOYSA-N 0 0 331.328 2.663 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC001639956522 1100998218 /nfs/dbraw/zinc/99/82/18/1100998218.db2.gz SSIWRUPMEWUWKY-NWDGAFQWSA-N 0 0 344.371 2.915 10 5 EFBERN Cc1ccc(NC(=O)c2cnn3c2C[C@H](C)CC3)c(N)c1[N+](=O)[O-] ZINC001639997289 1101000545 /nfs/dbraw/zinc/00/05/45/1101000545.db2.gz HNWPYGDUOKJTKS-SECBINFHSA-N 0 0 329.360 2.517 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(-c3ncon3)cc2)c(N)c1[N+](=O)[O-] ZINC001639997339 1101000910 /nfs/dbraw/zinc/00/09/10/1101000910.db2.gz JLWIQHGZKJJWPY-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN O=C(NN1CCc2ccccc2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001640002125 1101001894 /nfs/dbraw/zinc/00/18/94/1101001894.db2.gz HTIXNVXAOXPLFT-UHFFFAOYSA-N 0 0 331.759 2.951 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001640020048 1101005531 /nfs/dbraw/zinc/00/55/31/1101005531.db2.gz NGXQMXQFBUZDHA-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN O=C(Cc1noc2ccccc21)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001640046176 1101008709 /nfs/dbraw/zinc/00/87/09/1101008709.db2.gz APWWBFSCULYFEZ-UHFFFAOYSA-N 0 0 347.277 2.873 10 5 EFBERN Cc1ccc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])nc1 ZINC001640075211 1101011649 /nfs/dbraw/zinc/01/16/49/1101011649.db2.gz GUQHHGKMWXRDOF-UHFFFAOYSA-N 0 0 339.311 2.789 10 5 EFBERN COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc2ccccc21 ZINC001640073960 1101011795 /nfs/dbraw/zinc/01/17/95/1101011795.db2.gz YEMYPDCQSHLGLH-JTQLQIEISA-N 0 0 340.339 2.971 10 5 EFBERN Cn1nnc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1C(F)F ZINC001640074123 1101011850 /nfs/dbraw/zinc/01/18/50/1101011850.db2.gz ZYBZQWZTMXQEAU-UHFFFAOYSA-N 0 0 349.656 2.706 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC001640093409 1101013914 /nfs/dbraw/zinc/01/39/14/1101013914.db2.gz VWGWYFDJZMYBFJ-SJORKVTESA-N 0 0 343.383 2.521 10 5 EFBERN COC(=O)c1coc(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)n1 ZINC001640109534 1101014692 /nfs/dbraw/zinc/01/46/92/1101014692.db2.gz KEZGUKYDRFQLFT-UHFFFAOYSA-N 0 0 341.707 2.644 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc(C2OCCO2)c1 ZINC001640125785 1101015843 /nfs/dbraw/zinc/01/58/43/1101015843.db2.gz QNSOMGBCEZPABE-UHFFFAOYSA-N 0 0 346.314 2.961 10 5 EFBERN Cc1nc(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001640161302 1101019522 /nfs/dbraw/zinc/01/95/22/1101019522.db2.gz JWXUGNBQKULYRM-CYBMUJFWSA-N 0 0 328.307 2.757 10 5 EFBERN COc1ccccc1[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001640165775 1101020123 /nfs/dbraw/zinc/02/01/23/1101020123.db2.gz WFDRZZCWCOPZMM-GXTWGEPZSA-N 0 0 327.340 2.670 10 5 EFBERN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001640206894 1101022236 /nfs/dbraw/zinc/02/22/36/1101022236.db2.gz UBCGUWVTXDZHSR-CQSZACIVSA-N 0 0 344.371 2.804 10 5 EFBERN Cc1ccc(N2CCO[C@H](CF)C2)c([N+](=O)[O-])c1Br ZINC000840355729 1101022619 /nfs/dbraw/zinc/02/26/19/1101022619.db2.gz NSEMCDVVZOLATR-SECBINFHSA-N 0 0 333.157 2.840 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001640220080 1101024383 /nfs/dbraw/zinc/02/43/83/1101024383.db2.gz AWLKXXOTQNRJPM-CYBMUJFWSA-N 0 0 349.350 2.563 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@@H](CC2CC2)C(=O)OC)c([N+](=O)[O-])c1 ZINC000840361831 1101024881 /nfs/dbraw/zinc/02/48/81/1101024881.db2.gz ZWNSFVAXCZCUCC-OWNNVSBGSA-N 0 0 348.355 2.535 10 5 EFBERN O=C(NCc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC001640242736 1101028289 /nfs/dbraw/zinc/02/82/89/1101028289.db2.gz SJIGGCOFSCCBEM-UHFFFAOYSA-N 0 0 334.759 2.713 10 5 EFBERN COc1cc(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)ccn1 ZINC001640250731 1101029500 /nfs/dbraw/zinc/02/95/00/1101029500.db2.gz BBWXKGWKHZOFEJ-UHFFFAOYSA-N 0 0 342.355 2.538 10 5 EFBERN NC(=O)c1cc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc2[nH]1 ZINC001640250780 1101029528 /nfs/dbraw/zinc/02/95/28/1101029528.db2.gz CCGOPFKHMHIETC-UHFFFAOYSA-N 0 0 331.719 2.967 10 5 EFBERN CCN(C)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001640284517 1101032535 /nfs/dbraw/zinc/03/25/35/1101032535.db2.gz GKPQTOJLIBRSEP-UHFFFAOYSA-N 0 0 342.355 2.521 10 5 EFBERN CC(C)OC(=O)C(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001640292097 1101032662 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EFBERN O=C(Nc1ccnn1C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001640430534 1101045650 /nfs/dbraw/zinc/04/56/50/1101045650.db2.gz DMSZIGHWZKDXQX-UHFFFAOYSA-N 0 0 327.344 2.953 10 5 EFBERN COC(=O)c1ccnc(Nc2cnn(C3CCCC3)c2)c1[N+](=O)[O-] ZINC001640435424 1101045749 /nfs/dbraw/zinc/04/57/49/1101045749.db2.gz YRJDUGUZDXTZKA-UHFFFAOYSA-N 0 0 331.332 2.832 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc2nonc21 ZINC001640443463 1101047703 /nfs/dbraw/zinc/04/77/03/1101047703.db2.gz YCQVLSLIJLBIER-UHFFFAOYSA-N 0 0 340.295 2.733 10 5 EFBERN CCc1ccc(C(=O)N2NC(=O)C[C@]23CCCC[C@@H]3C)cc1[N+](=O)[O-] ZINC001640448717 1101048387 /nfs/dbraw/zinc/04/83/87/1101048387.db2.gz UVGMXPCEFMUCPG-SGTLLEGYSA-N 0 0 345.399 2.983 10 5 EFBERN COc1nscc1CN(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001640461770 1101048772 /nfs/dbraw/zinc/04/87/72/1101048772.db2.gz LUNMVZAFEKUFES-UHFFFAOYSA-N 0 0 331.357 2.640 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H]2CC(C)(C)OC2(C)C)c1[N+](=O)[O-] ZINC001640458732 1101049088 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COc1cc([N+](=O)[O-])c(C(=O)NCc2ccns2)cc1SC ZINC001640626893 1101066051 /nfs/dbraw/zinc/06/60/51/1101066051.db2.gz BICKGUNMXMKKNS-UHFFFAOYSA-N 0 0 339.398 2.712 10 5 EFBERN Nc1c(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC001640647287 1101068255 /nfs/dbraw/zinc/06/82/55/1101068255.db2.gz XFPIXMYSZRCSIV-QWHCGFSZSA-N 0 0 343.358 2.925 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2nccc3cc[nH]c32)cc([N+](=O)[O-])c1 ZINC001640684545 1101071308 /nfs/dbraw/zinc/07/13/08/1101071308.db2.gz VHLIGMHBVHYWFL-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN COC(=O)c1occc1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001640715714 1101073821 /nfs/dbraw/zinc/07/38/21/1101073821.db2.gz RYTSQXXHSDTBGB-UHFFFAOYSA-N 0 0 338.703 2.558 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1nc(-c2ccco2)no1 ZINC001640724051 1101074299 /nfs/dbraw/zinc/07/42/99/1101074299.db2.gz AZEGNIQAVWQNQM-UHFFFAOYSA-N 0 0 349.324 2.520 10 5 EFBERN Cc1cccc(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)c1[N+](=O)[O-] ZINC001640725441 1101074581 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Cc1ccc(C(=O)NCc2nnc3ccc(Cl)cn32)cc1[N+](=O)[O-] ZINC001640999948 1101095297 /nfs/dbraw/zinc/09/52/97/1101095297.db2.gz WSRANFLMKPVWGQ-UHFFFAOYSA-N 0 0 345.746 2.529 10 5 EFBERN O=C(NOc1ccc(F)cc1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001641059083 1101098982 /nfs/dbraw/zinc/09/89/82/1101098982.db2.gz LACNNYBOOZMHIN-UHFFFAOYSA-N 0 0 348.286 2.619 10 5 EFBERN O=[N+]([O-])c1ncccc1CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001641062984 1101099043 /nfs/dbraw/zinc/09/90/43/1101099043.db2.gz MPYXISIAKVQRJS-UHFFFAOYSA-N 0 0 346.286 2.983 10 5 EFBERN COC(=O)/C=C(/C)COc1cc([N+](=O)[O-])ccc1Br ZINC001641065763 1101100261 /nfs/dbraw/zinc/10/02/61/1101100261.db2.gz DLBIAKJIPBRFKR-YVMONPNESA-N 0 0 330.134 2.855 10 5 EFBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001641090855 1101101448 /nfs/dbraw/zinc/10/14/48/1101101448.db2.gz MQCSWDACPAHBQD-UHFFFAOYSA-N 0 0 327.271 2.828 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccsn1 ZINC001641089325 1101101470 /nfs/dbraw/zinc/10/14/70/1101101470.db2.gz HLRJISFSTAEPOG-UHFFFAOYSA-N 0 0 336.373 2.889 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001641109032 1101102906 /nfs/dbraw/zinc/10/29/06/1101102906.db2.gz QKJXFTZJTIWDEK-UHFFFAOYSA-N 0 0 340.288 2.616 10 5 EFBERN Nc1nc(SCC(=O)c2c[nH]c3ccc(F)cc32)ncc1[N+](=O)[O-] ZINC001641145744 1101107923 /nfs/dbraw/zinc/10/79/23/1101107923.db2.gz LBTCZSQGMSECLX-UHFFFAOYSA-N 0 0 347.331 2.562 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1c2ccccc2C[C@@H]1CO ZINC001641151428 1101108060 /nfs/dbraw/zinc/10/80/60/1101108060.db2.gz TZTAGGVOJHRFRH-CQSZACIVSA-N 0 0 344.392 2.637 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1c2ccccc2C[C@H]1CO ZINC001641154824 1101109265 /nfs/dbraw/zinc/10/92/65/1101109265.db2.gz KMMULCPJNXFKPJ-ZDUSSCGKSA-N 0 0 337.335 2.640 10 5 EFBERN Cc1cccc2c1CC(C)(C)N(C(=O)c1cnc(N)c([N+](=O)[O-])c1)C2 ZINC001641237585 1101116894 /nfs/dbraw/zinc/11/68/94/1101116894.db2.gz FJKKPBLHGYFZQL-UHFFFAOYSA-N 0 0 340.383 2.858 10 5 EFBERN Cn1c2ccccc2nc1COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001641269538 1101119743 /nfs/dbraw/zinc/11/97/43/1101119743.db2.gz XPRIUVPPAURTNX-UHFFFAOYSA-N 0 0 328.284 2.969 10 5 EFBERN CCON(Cc1ccccc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001141892355 1101122401 /nfs/dbraw/zinc/12/24/01/1101122401.db2.gz XFBWNMIJHFXUHT-UHFFFAOYSA-N 0 0 330.340 2.954 10 5 EFBERN O=c1ccc(-c2ccccn2)nn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641304724 1101124390 /nfs/dbraw/zinc/12/43/90/1101124390.db2.gz FBRUOYLLNUVCDN-UHFFFAOYSA-N 0 0 342.742 2.915 10 5 EFBERN Cc1cc2nccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2n1 ZINC001641324732 1101126230 /nfs/dbraw/zinc/12/62/30/1101126230.db2.gz YHLPHHUQBOTFNT-UHFFFAOYSA-N 0 0 336.311 2.680 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000840540845 1101128340 /nfs/dbraw/zinc/12/83/40/1101128340.db2.gz DJBGFSRBGJRBFY-ISQLRJPISA-N 0 0 340.326 2.663 10 5 EFBERN C/C(=C\C(=O)N(C[C@H]1CCC(=O)N1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000840559992 1101135810 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CC(C)(C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])c1c[nH]cn1 ZINC001641692772 1101156506 /nfs/dbraw/zinc/15/65/06/1101156506.db2.gz DHBYCASAXDKPDX-UHFFFAOYSA-N 0 0 325.328 2.782 10 5 EFBERN COc1cc(C(=O)NCc2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC001641745634 1101161214 /nfs/dbraw/zinc/16/12/14/1101161214.db2.gz JKVKHRZVGZZIDB-UHFFFAOYSA-N 0 0 327.296 2.675 10 5 EFBERN COc1cccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3N)CC2)c1 ZINC001641831222 1101167707 /nfs/dbraw/zinc/16/77/07/1101167707.db2.gz MQXQVQBDSQWJKX-UHFFFAOYSA-N 0 0 341.367 2.647 10 5 EFBERN Cc1cc(Cl)c(C(=O)N[C@@H]2CC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC001641905057 1101175399 /nfs/dbraw/zinc/17/53/99/1101175399.db2.gz ZYYRWZRHQCNTEG-VUHZHCFISA-N 0 0 344.820 2.586 10 5 EFBERN CN(Cc1cc(Br)cs1)c1nn(C)cc1[N+](=O)[O-] ZINC001642077635 1101188306 /nfs/dbraw/zinc/18/83/06/1101188306.db2.gz DZOURJCFOLPQDF-UHFFFAOYSA-N 0 0 331.195 2.789 10 5 EFBERN CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)cc1 ZINC001642122219 1101190232 /nfs/dbraw/zinc/19/02/32/1101190232.db2.gz RGWOBMXVUFGOPO-UHFFFAOYSA-N 0 0 334.351 2.945 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2ccc(O)cc2C1 ZINC001642105628 1101190647 /nfs/dbraw/zinc/19/06/47/1101190647.db2.gz YMOOHGAZEWHDHK-UHFFFAOYSA-N 0 0 328.324 2.644 10 5 EFBERN Cc1ccc(C(=O)N2CCOc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC001642104759 1101190984 /nfs/dbraw/zinc/19/09/84/1101190984.db2.gz BKNVHMNMSKAIHE-UHFFFAOYSA-N 0 0 328.324 2.644 10 5 EFBERN O=c1[nH]ccc(NCc2cccc(OCC(F)F)c2)c1[N+](=O)[O-] ZINC001642199102 1101196836 /nfs/dbraw/zinc/19/68/36/1101196836.db2.gz SJBBZOCFSAZAKI-UHFFFAOYSA-N 0 0 325.271 2.951 10 5 EFBERN Nc1ncc(C(=O)NCc2ccsc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001642235989 1101200983 /nfs/dbraw/zinc/20/09/83/1101200983.db2.gz QLRCPZSNTXACGC-UHFFFAOYSA-N 0 0 346.290 2.582 10 5 EFBERN Cn1cc([N+](=O)[O-])c(Sc2n[nH]c(-c3cc(F)cc(F)c3)n2)n1 ZINC001642322480 1101206765 /nfs/dbraw/zinc/20/67/65/1101206765.db2.gz PSDZJPHIDDLQEK-UHFFFAOYSA-N 0 0 338.299 2.543 10 5 EFBERN CCC(CC)(CO)CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001642461797 1101214696 /nfs/dbraw/zinc/21/46/96/1101214696.db2.gz PCIAVIHODMWZPF-UHFFFAOYSA-N 0 0 333.388 2.784 10 5 EFBERN O=C1C[C@H](c2cccc(Nc3cc(F)c([N+](=O)[O-])cc3CO)c2)CN1 ZINC001642471448 1101216787 /nfs/dbraw/zinc/21/67/87/1101216787.db2.gz DGAVJBDRMHQANG-NSHDSACASA-N 0 0 345.330 2.573 10 5 EFBERN Cc1nnc([C@H](C)Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])s1 ZINC001642548115 1101221679 /nfs/dbraw/zinc/22/16/79/1101221679.db2.gz OQFQUEMORRNCDS-QMMMGPOBSA-N 0 0 345.384 2.780 10 5 EFBERN CC1(C)CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCN1CCO ZINC001642579713 1101224617 /nfs/dbraw/zinc/22/46/17/1101224617.db2.gz XUFYOGNTVDBOGW-UHFFFAOYSA-N 0 0 348.230 2.795 10 5 EFBERN Cc1cc2c(CCNC(=O)c3cc([N+](=O)[O-])cn3C)c[nH]c2cc1F ZINC001642590621 1101225529 /nfs/dbraw/zinc/22/55/29/1101225529.db2.gz HOYCDDHMQKJHPT-UHFFFAOYSA-N 0 0 344.346 2.835 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2cccc3nsnc32)c1[N+](=O)[O-] ZINC001642599722 1101226074 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EFBERN O=c1[nH]ccc(N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001643327178 1101290549 /nfs/dbraw/zinc/29/05/49/1101290549.db2.gz IMEZWOQRXUWBQD-DYVFJYSZSA-N 0 0 343.339 2.790 10 5 EFBERN Cc1cnc(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc1 ZINC001643374070 1101293962 /nfs/dbraw/zinc/29/39/62/1101293962.db2.gz AWCUFPRIALKIAF-UHFFFAOYSA-N 0 0 341.154 2.930 10 5 EFBERN C[C@@H](C(=O)N1Cc2cncnc2[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001643408206 1101296405 /nfs/dbraw/zinc/29/64/05/1101296405.db2.gz NAZRMPAEUAXWMJ-VXGBXAGGSA-N 0 0 326.356 2.634 10 5 EFBERN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ncc[nH]1 ZINC001643424109 1101298173 /nfs/dbraw/zinc/29/81/73/1101298173.db2.gz ZJAIINPGJAFIRU-UHFFFAOYSA-N 0 0 335.370 2.658 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c1[N+](=O)[O-] ZINC001643473609 1101302565 /nfs/dbraw/zinc/30/25/65/1101302565.db2.gz QZJPCNAOQFEONO-WCQYABFASA-N 0 0 332.335 2.636 10 5 EFBERN COCC1(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001643489195 1101302934 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Cn1cc([N+](=O)[O-])c(NCc2ccc(OCc3ccccn3)cc2)n1 ZINC001651401624 1101323112 /nfs/dbraw/zinc/32/31/12/1101323112.db2.gz UHBXNSZRQDSXOS-UHFFFAOYSA-N 0 0 339.355 2.914 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCn2ccnc2CC)cc1C ZINC001651416235 1101325813 /nfs/dbraw/zinc/32/58/13/1101325813.db2.gz ZOPJDBOMUHDLAM-UHFFFAOYSA-N 0 0 346.387 2.951 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)Cc1ccc(F)cc1 ZINC001651420862 1101326424 /nfs/dbraw/zinc/32/64/24/1101326424.db2.gz GQAVVWHPPQYCBP-LBPRGKRZSA-N 0 0 325.727 2.798 10 5 EFBERN NC(=O)c1cc(NCCCc2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC001651432106 1101327622 /nfs/dbraw/zinc/32/76/22/1101327622.db2.gz XUROMMQLFFNKHB-UHFFFAOYSA-N 0 0 339.355 2.615 10 5 EFBERN CCOC(=O)c1ccnc(N2CCOc3cc(F)ccc32)c1[N+](=O)[O-] ZINC001651443351 1101329583 /nfs/dbraw/zinc/32/95/83/1101329583.db2.gz BSBCUKPSSLZQLU-UHFFFAOYSA-N 0 0 347.302 2.836 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2c[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC001651454572 1101332029 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O=[N+]([O-])c1ccc(NCC2(OCCO)CCCCC2)c([N+](=O)[O-])c1 ZINC001651486660 1101337265 /nfs/dbraw/zinc/33/72/65/1101337265.db2.gz ACZTVOSCUWNWBW-UHFFFAOYSA-N 0 0 339.348 2.627 10 5 EFBERN Cn1ccnc1[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001651501124 1101340602 /nfs/dbraw/zinc/34/06/02/1101340602.db2.gz OVMRRNAQKXWVIZ-CYBMUJFWSA-N 0 0 346.297 2.598 10 5 EFBERN CC(C)N(CCCNc1nn(C)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001651503936 1101340920 /nfs/dbraw/zinc/34/09/20/1101340920.db2.gz ZBQHDBFUEBVDLA-UHFFFAOYSA-N 0 0 341.412 2.776 10 5 EFBERN COC(=O)[C@]1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC001651526648 1101343187 /nfs/dbraw/zinc/34/31/87/1101343187.db2.gz CYRIPFQGDPOAMU-ZDUSSCGKSA-N 0 0 348.277 2.605 10 5 EFBERN CN(Cc1ccon1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001651550148 1101346797 /nfs/dbraw/zinc/34/67/97/1101346797.db2.gz VJIPRKPGAVIITE-UHFFFAOYSA-N 0 0 329.272 2.676 10 5 EFBERN O=c1ccn(-c2nc3cccc(OC(F)F)c3s2)cc1[N+](=O)[O-] ZINC001651580786 1101352836 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CCc1nccn1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001651660481 1101363523 /nfs/dbraw/zinc/36/35/23/1101363523.db2.gz PLGPENXUWLVCSI-UHFFFAOYSA-N 0 0 334.401 2.506 10 5 EFBERN O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc2nncn2c1 ZINC000784936151 1101366173 /nfs/dbraw/zinc/36/61/73/1101366173.db2.gz HBOQECGQKZOKGO-UHFFFAOYSA-N 0 0 344.352 2.587 10 5 EFBERN CC(C)Oc1nc(NCc2nc(C(F)(F)F)no2)ccc1[N+](=O)[O-] ZINC001651682561 1101366761 /nfs/dbraw/zinc/36/67/61/1101366761.db2.gz BALQYMNTYDLBFM-UHFFFAOYSA-N 0 0 347.253 2.791 10 5 EFBERN C[C@@H](NC(=O)COc1ccc(C=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001651700319 1101369358 /nfs/dbraw/zinc/36/93/58/1101369358.db2.gz XAMYNOLYSBSPCT-GFCCVEGCSA-N 0 0 328.324 2.664 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001651750883 1101377593 /nfs/dbraw/zinc/37/75/93/1101377593.db2.gz JCXANBSZGLFDEO-SNVBAGLBSA-N 0 0 328.372 2.769 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001651754648 1101377710 /nfs/dbraw/zinc/37/77/10/1101377710.db2.gz BOJMVVBXNWFYGH-GDNZZTSVSA-N 0 0 328.372 2.566 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1Cc2c[nH]nc2C[C@H](C)C1 ZINC001651750882 1101377996 /nfs/dbraw/zinc/37/79/96/1101377996.db2.gz JCXANBSZGLFDEO-JTQLQIEISA-N 0 0 328.372 2.769 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@H]1C1CCC1 ZINC001651755160 1101378151 /nfs/dbraw/zinc/37/81/51/1101378151.db2.gz GKEQURIYOSJDHU-UONOGXRCSA-N 0 0 342.399 2.956 10 5 EFBERN Cc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)nc1Cl ZINC001651774929 1101381380 /nfs/dbraw/zinc/38/13/80/1101381380.db2.gz QRRYLVXHPMWHTI-UHFFFAOYSA-N 0 0 331.557 2.959 10 5 EFBERN Cc1cc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])n(C)n1 ZINC001651825059 1101388671 /nfs/dbraw/zinc/38/86/71/1101388671.db2.gz ZVTRHHZRYDTXJQ-UHFFFAOYSA-N 0 0 331.763 2.872 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCC(C)(C)C(C)(C)O)c2c1 ZINC001651852356 1101395164 /nfs/dbraw/zinc/39/51/64/1101395164.db2.gz YRLCTNCPYHPZBH-UHFFFAOYSA-N 0 0 333.388 2.783 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3c(C)n[nH]c3C)c2c1 ZINC001651855185 1101395816 /nfs/dbraw/zinc/39/58/16/1101395816.db2.gz OISDOKCLVXTHQX-UHFFFAOYSA-N 0 0 341.371 2.568 10 5 EFBERN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c2nccn21 ZINC001651848076 1101395825 /nfs/dbraw/zinc/39/58/25/1101395825.db2.gz GVAGSTNELJETHE-BMIGLBTASA-N 0 0 341.371 2.801 10 5 EFBERN Cn1cc(Cl)c(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])n1 ZINC001651863746 1101396612 /nfs/dbraw/zinc/39/66/12/1101396612.db2.gz DMPLQQQGBPHBJT-UHFFFAOYSA-N 0 0 335.726 2.703 10 5 EFBERN NC(=O)[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccn1 ZINC001651878501 1101398971 /nfs/dbraw/zinc/39/89/71/1101398971.db2.gz OJJXHWPSBHOQMI-GFCCVEGCSA-N 0 0 340.261 2.647 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1nccnc1Cl ZINC001651883926 1101399403 /nfs/dbraw/zinc/39/94/03/1101399403.db2.gz JIBWDRTZMYXIFL-UHFFFAOYSA-N 0 0 333.710 2.760 10 5 EFBERN CNC(=O)c1ccc(N2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001651888214 1101399769 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O=C(COc1ccc(F)cc1)COc1c(Cl)cncc1[N+](=O)[O-] ZINC001651973933 1101413288 /nfs/dbraw/zinc/41/32/88/1101413288.db2.gz DATJAMNTONEBSI-UHFFFAOYSA-N 0 0 340.694 2.809 10 5 EFBERN CN(CCc1nc2ccccc2[nH]1)c1nc2ccccn2c1[N+](=O)[O-] ZINC001651978331 1101413582 /nfs/dbraw/zinc/41/35/82/1101413582.db2.gz QTXNYZVDUTXACX-UHFFFAOYSA-N 0 0 336.355 2.798 10 5 EFBERN CC[C@@H](C(=O)N(C)c1ccc(C)cc1)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001652004819 1101416190 /nfs/dbraw/zinc/41/61/90/1101416190.db2.gz CCUOICQEHWRQMS-LBPRGKRZSA-N 0 0 347.331 2.622 10 5 EFBERN Cc1cc(N2CCOC[C@H]2C(=O)OC(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001652029138 1101420929 /nfs/dbraw/zinc/42/09/29/1101420929.db2.gz CWOBIDPEFVCIHH-AWEZNQCLSA-N 0 0 340.351 2.589 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1c1ncccn1 ZINC001167393286 1101421349 /nfs/dbraw/zinc/42/13/49/1101421349.db2.gz PVLHVSBDUHGCQN-AWEZNQCLSA-N 0 0 337.339 2.843 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)COC(=O)N3)n1 ZINC001652047013 1101426881 /nfs/dbraw/zinc/42/68/81/1101426881.db2.gz YGZLZSZPTXZBBK-UHFFFAOYSA-N 0 0 344.283 2.582 10 5 EFBERN O=[N+]([O-])c1ccc2nc(N[C@@H](CO)Cc3cncs3)sc2c1 ZINC001652090464 1101432072 /nfs/dbraw/zinc/43/20/72/1101432072.db2.gz JRNUZDDTQLOXQU-MRVPVSSYSA-N 0 0 336.398 2.677 10 5 EFBERN COc1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1[N+](=O)[O-])C2=O ZINC001652084112 1101432209 /nfs/dbraw/zinc/43/22/09/1101432209.db2.gz CLTVQLSOLKHSKE-UHFFFAOYSA-N 0 0 330.271 2.539 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3ccnc(F)c3)c2c1 ZINC001652093432 1101434485 /nfs/dbraw/zinc/43/44/85/1101434485.db2.gz YVKDFZARNGAXPM-UHFFFAOYSA-N 0 0 328.303 2.720 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@H]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001652102838 1101435597 /nfs/dbraw/zinc/43/55/97/1101435597.db2.gz NYRSMFFDTWFQIW-QWHCGFSZSA-N 0 0 344.371 2.833 10 5 EFBERN COc1cc([N+](=O)[O-])cn(Cc2cc(-c3ccc(C)cc3)no2)c1=O ZINC001652137291 1101441893 /nfs/dbraw/zinc/44/18/93/1101441893.db2.gz WHNOIVGRQPUPOC-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](C2CCC2)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC001652143863 1101442990 /nfs/dbraw/zinc/44/29/90/1101442990.db2.gz FDLXPROQDNTGLE-OCCSQVGLSA-N 0 0 349.387 2.784 10 5 EFBERN Cc1ccnc(N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)c1[N+](=O)[O-] ZINC001652147926 1101443076 /nfs/dbraw/zinc/44/30/76/1101443076.db2.gz IYBMIENKAKSBLD-UHFFFAOYSA-N 0 0 344.419 2.999 10 5 EFBERN O=C(Cn1ncc([N+](=O)[O-])n1)Nc1ccc(Oc2ccccc2)cc1 ZINC001652158260 1101445850 /nfs/dbraw/zinc/44/58/50/1101445850.db2.gz NGSRPHOQJPOWRF-UHFFFAOYSA-N 0 0 339.311 2.617 10 5 EFBERN O=[N+]([O-])c1ccn(CCSc2nc(Cc3ccccc3)no2)n1 ZINC001652183358 1101449829 /nfs/dbraw/zinc/44/98/29/1101449829.db2.gz SNZVSOXNLGFCAC-UHFFFAOYSA-N 0 0 331.357 2.557 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC001652204742 1101450881 /nfs/dbraw/zinc/45/08/81/1101450881.db2.gz VBBFQKYSSGAOEV-MEDUHNTESA-N 0 0 347.371 2.849 10 5 EFBERN CCC(=O)c1ccc(NCCN2CCOC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC001652197872 1101451440 /nfs/dbraw/zinc/45/14/40/1101451440.db2.gz IVYXHTHKPFGNPS-AWEZNQCLSA-N 0 0 335.404 2.710 10 5 EFBERN Cc1nc(Cl)n(Cc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC001652213890 1101452891 /nfs/dbraw/zinc/45/28/91/1101452891.db2.gz CRQOXAVNBOHALH-UHFFFAOYSA-N 0 0 331.557 2.959 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC(F)(F)OC(F)(F)C1 ZINC001652211208 1101453101 /nfs/dbraw/zinc/45/31/01/1101453101.db2.gz DTPHOBMFMHJBSZ-UHFFFAOYSA-N 0 0 342.632 2.906 10 5 EFBERN CCc1nnc(Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)o1 ZINC001652224660 1101454775 /nfs/dbraw/zinc/45/47/75/1101454775.db2.gz YDPKHZNJGZJWOZ-UHFFFAOYSA-N 0 0 334.723 2.500 10 5 EFBERN COC(=O)CCCCn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001652227717 1101455128 /nfs/dbraw/zinc/45/51/28/1101455128.db2.gz HBAQDUMTCAWCSO-UHFFFAOYSA-N 0 0 338.751 2.850 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC001652229018 1101455917 /nfs/dbraw/zinc/45/59/17/1101455917.db2.gz HNTBFWHFZVBPFE-NSHDSACASA-N 0 0 335.360 2.538 10 5 EFBERN COC(=O)c1cc(COc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)o1 ZINC001652249135 1101458066 /nfs/dbraw/zinc/45/80/66/1101458066.db2.gz HVFZAGTZSGEXJN-UHFFFAOYSA-N 0 0 349.295 2.633 10 5 EFBERN Cc1ccnc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001652246050 1101458539 /nfs/dbraw/zinc/45/85/39/1101458539.db2.gz XJQGRVJZMHPZBU-VXGBXAGGSA-N 0 0 336.392 2.966 10 5 EFBERN Nc1c(C(=O)Nc2cnn(C3CCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC001652238923 1101459211 /nfs/dbraw/zinc/45/92/11/1101459211.db2.gz VITGDOPBTKFNCG-UHFFFAOYSA-N 0 0 333.323 2.880 10 5 EFBERN Cc1nc(N2CC(c3nc(-c4ccccc4)no3)C2)ccc1[N+](=O)[O-] ZINC001652262045 1101462989 /nfs/dbraw/zinc/46/29/89/1101462989.db2.gz XOBCORGKURPRMR-UHFFFAOYSA-N 0 0 337.339 2.952 10 5 EFBERN C[C@@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC001652264448 1101462999 /nfs/dbraw/zinc/46/29/99/1101462999.db2.gz QVQXFDIROQVISU-PWSUYJOCSA-N 0 0 335.385 2.521 10 5 EFBERN Cc1cc(=O)[nH]c(N2CCC(Nc3ccsc3[N+](=O)[O-])CC2)n1 ZINC001652277688 1101466613 /nfs/dbraw/zinc/46/66/13/1101466613.db2.gz RHTLFCAWQRAFCQ-UHFFFAOYSA-N 0 0 335.389 2.541 10 5 EFBERN COC1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC001652275566 1101466701 /nfs/dbraw/zinc/46/67/01/1101466701.db2.gz WFTTVGCSFRRHQG-UHFFFAOYSA-N 0 0 327.262 2.911 10 5 EFBERN COC(=O)/C=C/c1ccc(NCc2cccc(OC)n2)c([N+](=O)[O-])c1 ZINC000748082425 1101473412 /nfs/dbraw/zinc/47/34/12/1101473412.db2.gz HIHRCBQHCRQTMP-VQHVLOKHSA-N 0 0 343.339 2.797 10 5 EFBERN Cc1cnc(N[C@H]2CC[C@H](c3nccc(=O)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC001652320065 1101474937 /nfs/dbraw/zinc/47/49/37/1101474937.db2.gz ARRHZEKWKCGZTE-HAQNSBGRSA-N 0 0 329.360 2.932 10 5 EFBERN Cn1cc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)nn1 ZINC001652320556 1101476990 /nfs/dbraw/zinc/47/69/90/1101476990.db2.gz QZGPLVWNWQJCMB-GFCCVEGCSA-N 0 0 338.371 2.656 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1(C)C ZINC001652337192 1101478972 /nfs/dbraw/zinc/47/89/72/1101478972.db2.gz SUMAUUAZNVDOAN-ZDUSSCGKSA-N 0 0 336.392 2.612 10 5 EFBERN Cc1nc(CC2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)no1 ZINC001652359384 1101483198 /nfs/dbraw/zinc/48/31/98/1101483198.db2.gz JCEYXKFJHYDVAE-UHFFFAOYSA-N 0 0 348.334 2.520 10 5 EFBERN CC(=O)[C@H]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001652563371 1101514435 /nfs/dbraw/zinc/51/44/35/1101514435.db2.gz RUTRIWNXPAARMT-HAQNSBGRSA-N 0 0 329.356 2.954 10 5 EFBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cc(F)cc(F)c1 ZINC001652565847 1101514777 /nfs/dbraw/zinc/51/47/77/1101514777.db2.gz NNLBCPYPCROHHK-UHFFFAOYSA-N 0 0 338.241 2.625 10 5 EFBERN Cc1cn2c(nc(COc3ccc([N+](=O)[O-])cc3F)cc2=O)s1 ZINC001652603440 1101520409 /nfs/dbraw/zinc/52/04/09/1101520409.db2.gz JTORSXPHKINUGN-UHFFFAOYSA-N 0 0 335.316 2.691 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NC2CC(Cl)(Cl)C2)cc1[N+](=O)[O-] ZINC001652609490 1101520503 /nfs/dbraw/zinc/52/05/03/1101520503.db2.gz FPNGSIXJGNDZSM-UHFFFAOYSA-N 0 0 348.142 2.878 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(C[C@@H]3CCC[C@@]4(CCOC4)O3)n2)c1 ZINC001652641410 1101525130 /nfs/dbraw/zinc/52/51/30/1101525130.db2.gz WIMRCUUVENKIIB-RDJZCZTQSA-N 0 0 344.371 2.582 10 5 EFBERN Cc1cccc(CC(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001266315947 1101528634 /nfs/dbraw/zinc/52/86/34/1101528634.db2.gz LBMGCIJITWXSSD-UHFFFAOYSA-N 0 0 341.411 2.694 10 5 EFBERN Cc1ccc2sc(Cn3cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c3)nc2c1 ZINC001652705289 1101533795 /nfs/dbraw/zinc/53/37/95/1101533795.db2.gz ZKGQQYWVHNKOEE-UHFFFAOYSA-N 0 0 346.324 2.631 10 5 EFBERN COc1cccc(-c2nc(Cn3cc([N+](=O)[O-])cc(C)c3=O)co2)c1 ZINC001652730278 1101536470 /nfs/dbraw/zinc/53/64/70/1101536470.db2.gz NRVOLDFNQUNHQJ-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN Cc1c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)cccc1[N+](=O)[O-] ZINC001652795442 1101546920 /nfs/dbraw/zinc/54/69/20/1101546920.db2.gz VBOGFJJEJUGBKL-ZETCQYMHSA-N 0 0 343.265 2.531 10 5 EFBERN Cc1nc(CSc2ncc([N+](=O)[O-])c(N)n2)nc2ccccc12 ZINC001652848555 1101556025 /nfs/dbraw/zinc/55/60/25/1101556025.db2.gz CLQITWZMHTZBLG-UHFFFAOYSA-N 0 0 328.357 2.511 10 5 EFBERN Nc1nc(SC[C@H]2CCC[C@@H](C(F)(F)F)O2)ncc1[N+](=O)[O-] ZINC001652848517 1101556795 /nfs/dbraw/zinc/55/67/95/1101556795.db2.gz AZRJMJKZWULHRG-SVRRBLITSA-N 0 0 338.311 2.559 10 5 EFBERN Cc1ccc(Cn2cnc3c(Cl)nccc3c2=O)cc1[N+](=O)[O-] ZINC001652879199 1101561139 /nfs/dbraw/zinc/56/11/39/1101561139.db2.gz GKSDEEQFNUJGSP-UHFFFAOYSA-N 0 0 330.731 2.710 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccccc2C(C)=O)c1 ZINC001652916340 1101564273 /nfs/dbraw/zinc/56/42/73/1101564273.db2.gz LGXMFAYXIPKMBY-UHFFFAOYSA-N 0 0 344.323 2.824 10 5 EFBERN COc1cc(CO)ccc1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001652917055 1101566527 /nfs/dbraw/zinc/56/65/27/1101566527.db2.gz XMJNGYKPSSTEEN-GFCCVEGCSA-N 0 0 344.367 2.629 10 5 EFBERN COc1ccc2c(c1)C(=O)N(Cc1c(F)cccc1[N+](=O)[O-])C2=O ZINC001652942532 1101568729 /nfs/dbraw/zinc/56/87/29/1101568729.db2.gz LWPOYVYURWZRST-UHFFFAOYSA-N 0 0 330.271 2.539 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001652957162 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O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000412175856 243183653 /nfs/dbraw/zinc/18/36/53/243183653.db2.gz JPSCFOXHLUJTBF-JKSUJKDBSA-N 0 0 340.383 2.828 10 5 EFBERN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000412290182 243248808 /nfs/dbraw/zinc/24/88/08/243248808.db2.gz OTZLOBVVRWVTSC-CVEARBPZSA-N 0 0 340.383 2.759 10 5 EFBERN O=C(N[C@H](CO)c1ccsc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412256317 243233003 /nfs/dbraw/zinc/23/30/03/243233003.db2.gz LVFWRXITJVIIPS-RRFJBIMHSA-N 0 0 332.381 2.610 10 5 EFBERN COc1cc(C(=O)N2CCO[C@@H](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000412437850 243313319 /nfs/dbraw/zinc/31/33/19/243313319.db2.gz BMIZBYXZZKLRPL-MRXNPFEDSA-N 0 0 334.372 2.553 10 5 EFBERN CSc1ccc(C(=O)N2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000412441741 243315199 /nfs/dbraw/zinc/31/51/99/243315199.db2.gz GHHBBIWHEJKABT-AWEZNQCLSA-N 0 0 336.413 2.958 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](C2CCC2)C1 ZINC000412445152 243318173 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326.356 2.728 10 5 EFBERN C[C@H](CN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)OC(C)(C)C ZINC000413463377 243685165 /nfs/dbraw/zinc/68/51/65/243685165.db2.gz XPZXYEWPYBYSMI-SNVBAGLBSA-N 0 0 334.376 2.885 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H](C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000413540877 243725299 /nfs/dbraw/zinc/72/52/99/243725299.db2.gz VJQDXCRIQSWPHA-SSDOTTSWSA-N 0 0 335.282 2.507 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413605831 243753470 /nfs/dbraw/zinc/75/34/70/243753470.db2.gz OVBCTODKPTUYTK-CYBMUJFWSA-N 0 0 333.367 2.950 10 5 EFBERN CCOc1ccc(C(=O)N2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000413862844 243890916 /nfs/dbraw/zinc/89/09/16/243890916.db2.gz ARJPUPOBYXOVQQ-INIZCTEOSA-N 0 0 334.372 2.635 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000414046087 243979066 /nfs/dbraw/zinc/97/90/66/243979066.db2.gz XOMMYJJHFQLNRZ-MNOVXSKESA-N 0 0 326.780 2.790 10 5 EFBERN Cc1cccc(C)c1NC(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000020418179 212126935 /nfs/dbraw/zinc/12/69/35/212126935.db2.gz WLUNXGHRQVANSD-UHFFFAOYSA-N 0 0 339.149 2.950 10 5 EFBERN CCn1cc(C2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000134382239 223491730 /nfs/dbraw/zinc/49/17/30/223491730.db2.gz QTQZFBIRPREUDO-UHFFFAOYSA-N 0 0 346.362 2.970 10 5 EFBERN Cc1c(Br)c(N[C@@H]2CCOC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000311466342 291482942 /nfs/dbraw/zinc/48/29/42/291482942.db2.gz GSUIYMZDRQFKBQ-IONNQARKSA-N 0 0 330.182 2.898 10 5 EFBERN CC(C)(C)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416526848 244720814 /nfs/dbraw/zinc/72/08/14/244720814.db2.gz ZVVCKNGDLOMOAB-UHFFFAOYSA-N 0 0 332.809 2.915 10 5 EFBERN CCN(C1CC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416634974 244763678 /nfs/dbraw/zinc/76/36/78/244763678.db2.gz OTYSZGNBIKCDGQ-UHFFFAOYSA-N 0 0 330.381 2.933 10 5 EFBERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000250110129 284188710 /nfs/dbraw/zinc/18/87/10/284188710.db2.gz KGJGDOSELSJJIR-KCXAZCMYSA-N 0 0 346.383 2.850 10 5 EFBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1CS2 ZINC000458334559 296168101 /nfs/dbraw/zinc/16/81/01/296168101.db2.gz OSXSYVXBOSGTEK-QWRGUYRKSA-N 0 0 343.202 2.687 10 5 EFBERN CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000428563509 284259673 /nfs/dbraw/zinc/25/96/73/284259673.db2.gz DDWWCPUHTHGFPG-AWEZNQCLSA-N 0 0 341.367 2.908 10 5 EFBERN O=[N+]([O-])c1cccc(OCCSCc2cn(CC3CC3)nn2)c1 ZINC000419390952 245397730 /nfs/dbraw/zinc/39/77/30/245397730.db2.gz QGJPQFBLGOBCMS-UHFFFAOYSA-N 0 0 334.401 2.909 10 5 EFBERN COC(=O)/C=C/c1ccc(NCCCC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000078303554 217039549 /nfs/dbraw/zinc/03/95/49/217039549.db2.gz NBYFAMWEYLPHIT-SOFGYWHQSA-N 0 0 336.388 2.992 10 5 EFBERN CN(C(=O)c1cnc(-c2ncccn2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000078743425 217112864 /nfs/dbraw/zinc/11/28/64/217112864.db2.gz HIDQPFLQNLDCCJ-UHFFFAOYSA-N 0 0 341.352 2.785 10 5 EFBERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000110755082 220063873 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Cc1nc([C@@](C)(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C2CC2)no1 ZINC000421574028 246020692 /nfs/dbraw/zinc/02/06/92/246020692.db2.gz KEMHULPTEASYDS-KRWDZBQOSA-N 0 0 344.371 2.958 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(F)F ZINC000421535163 246009337 /nfs/dbraw/zinc/00/93/37/246009337.db2.gz AYLKIZATBDURTL-NSHDSACASA-N 0 0 328.315 2.708 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC23CCSCC3)c1 ZINC000421593510 246027398 /nfs/dbraw/zinc/02/73/98/246027398.db2.gz WCAYGNNKPSVUJA-LLVKDONJSA-N 0 0 336.413 2.867 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000150970834 223764109 /nfs/dbraw/zinc/76/41/09/223764109.db2.gz ZOJULIGCQIALOQ-SECBINFHSA-N 0 0 341.293 2.782 10 5 EFBERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421869033 246144701 /nfs/dbraw/zinc/14/47/01/246144701.db2.gz IMCYWUKVXCKWNU-WWGRRREGSA-N 0 0 346.383 2.625 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000421888922 246155346 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345.399 2.946 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)n1 ZINC000427320334 247337344 /nfs/dbraw/zinc/33/73/44/247337344.db2.gz LOQSABRJDSPBEQ-VIFPVBQESA-N 0 0 334.298 2.614 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000427380969 247344554 /nfs/dbraw/zinc/34/45/54/247344554.db2.gz BCTBHGBBDQZLPM-MRXNPFEDSA-N 0 0 327.340 2.880 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000427379941 247345123 /nfs/dbraw/zinc/34/51/23/247345123.db2.gz PJJIYGLCLJCDBB-NXEZZACHSA-N 0 0 348.325 2.910 10 5 EFBERN CC(C)[C@](C)(CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000427390888 247346193 /nfs/dbraw/zinc/34/61/93/247346193.db2.gz NTJRPEDGMQUQTH-SFHVURJKSA-N 0 0 343.383 2.794 10 5 EFBERN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1 ZINC000427601574 247369829 /nfs/dbraw/zinc/36/98/29/247369829.db2.gz LSXJQFBEYVMSRG-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN Cc1c(C(=O)N[C@@H]2CC23CCCC3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000430225126 247750964 /nfs/dbraw/zinc/75/09/64/247750964.db2.gz XFOQTTHXEXMYEZ-CQSZACIVSA-N 0 0 341.371 2.546 10 5 EFBERN O=C(N[C@H]1CC12CCCC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000430243525 247754642 /nfs/dbraw/zinc/75/46/42/247754642.db2.gz UUEQUYULHUBCTD-AWEZNQCLSA-N 0 0 327.340 2.911 10 5 EFBERN CC(C)NC(=O)c1ccc(N[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000265820030 247823725 /nfs/dbraw/zinc/82/37/25/247823725.db2.gz NUGTWBOBEHZYGU-MRXNPFEDSA-N 0 0 343.383 2.879 10 5 EFBERN CC=CC[C@@H]1NC(=O)N(CCc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000431726084 247932037 /nfs/dbraw/zinc/93/20/37/247932037.db2.gz FTRQEOHGAOXGOT-DLGQBQFBSA-N 0 0 337.763 2.677 10 5 EFBERN Cc1nc([C@](C)(NCCOc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000433298479 248039787 /nfs/dbraw/zinc/03/97/87/248039787.db2.gz ZMRDZZPSPQHCHE-MRXNPFEDSA-N 0 0 332.360 2.580 10 5 EFBERN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432993268 248007595 /nfs/dbraw/zinc/00/75/95/248007595.db2.gz LEWXNSNTJMRWAA-SECBINFHSA-N 0 0 337.177 2.998 10 5 EFBERN O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000434335183 248142826 /nfs/dbraw/zinc/14/28/26/248142826.db2.gz REFTZLQNQPZAHA-GFCCVEGCSA-N 0 0 336.413 2.769 10 5 EFBERN O=C(CCOCC1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433969207 248109334 /nfs/dbraw/zinc/10/93/34/248109334.db2.gz IDEJMAYKVFQZDX-UHFFFAOYSA-N 0 0 348.399 2.781 10 5 EFBERN COC(=O)c1cnc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000190164087 284599103 /nfs/dbraw/zinc/59/91/03/284599103.db2.gz LKHQVYGCRAXUNH-VIFPVBQESA-N 0 0 333.266 2.555 10 5 EFBERN Cc1nc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000435205800 248218611 /nfs/dbraw/zinc/21/86/11/248218611.db2.gz DFDNATLRWOTOTG-SECBINFHSA-N 0 0 341.414 2.708 10 5 EFBERN Cc1cccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1[N+](=O)[O-] ZINC000435288649 248223614 /nfs/dbraw/zinc/22/36/14/248223614.db2.gz LGXKDFALHDNTKC-ZDUSSCGKSA-N 0 0 339.351 2.759 10 5 EFBERN O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000435273392 248223818 /nfs/dbraw/zinc/22/38/18/248223818.db2.gz ZEYIZUZRQBVLRL-LBPRGKRZSA-N 0 0 343.314 2.590 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000435300763 248224731 /nfs/dbraw/zinc/22/47/31/248224731.db2.gz HASAJGQINNZBGB-ZDUSSCGKSA-N 0 0 339.351 2.759 10 5 EFBERN Cc1sc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000435299968 248224780 /nfs/dbraw/zinc/22/47/80/248224780.db2.gz QXFGSRAWGMNJPR-LLVKDONJSA-N 0 0 345.380 2.821 10 5 EFBERN CCOC(=O)c1cc(C(=O)Nc2onc(C)c2C)cc([N+](=O)[O-])c1 ZINC000266234984 248192826 /nfs/dbraw/zinc/19/28/26/248192826.db2.gz UGWVWUKNWGVUFZ-UHFFFAOYSA-N 0 0 333.300 2.629 10 5 EFBERN Cc1cc([C@@](C)(O)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)o1 ZINC000266529539 248347146 /nfs/dbraw/zinc/34/71/46/248347146.db2.gz FNHWEGYTFXNSOS-HNNXBMFYSA-N 0 0 338.385 2.812 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC2(C1)Oc1ccccc1O2 ZINC000367385975 296262749 /nfs/dbraw/zinc/26/27/49/296262749.db2.gz NJQKXIDBKCJVFJ-UHFFFAOYSA-N 0 0 326.308 2.608 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCSC[C@@H]1c1ccccc1 ZINC000363873833 284668946 /nfs/dbraw/zinc/66/89/46/284668946.db2.gz GUPAUGXDHNWELR-OAHLLOKOSA-N 0 0 329.381 2.920 10 5 EFBERN Cc1c(C(=O)N2CC(C)=C[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000436006404 249451585 /nfs/dbraw/zinc/45/15/85/249451585.db2.gz YRVRWGQLIHSFAN-NSHDSACASA-N 0 0 341.371 2.522 10 5 EFBERN C[C@H]1CCN(c2cc(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000437669284 249699169 /nfs/dbraw/zinc/69/91/69/249699169.db2.gz UUEDMQQYKHWOLP-ZDUSSCGKSA-N 0 0 340.383 2.766 10 5 EFBERN CC[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1noc(C)n1 ZINC000089948013 217893270 /nfs/dbraw/zinc/89/32/70/217893270.db2.gz PGUHEPDAFBBOGH-CYBMUJFWSA-N 0 0 345.359 2.505 10 5 EFBERN CC[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1noc(C)n1 ZINC000089948012 217893383 /nfs/dbraw/zinc/89/33/83/217893383.db2.gz PGUHEPDAFBBOGH-ZDUSSCGKSA-N 0 0 345.359 2.505 10 5 EFBERN Cc1cc(N2CCC(Nc3nc(C)cc(C)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000438895092 249794927 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CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000441411731 250028550 /nfs/dbraw/zinc/02/85/50/250028550.db2.gz HEUNXMDEUZLNBP-UHFFFAOYSA-N 0 0 326.715 2.788 10 5 EFBERN Cc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000442448844 250082794 /nfs/dbraw/zinc/08/27/94/250082794.db2.gz QBXWVOVIEPZADI-LLVKDONJSA-N 0 0 345.355 2.572 10 5 EFBERN CO[C@@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000442705132 250105000 /nfs/dbraw/zinc/10/50/00/250105000.db2.gz UMUVOZKSPDCQLU-VIFPVBQESA-N 0 0 346.333 2.724 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000442766062 250113309 /nfs/dbraw/zinc/11/33/09/250113309.db2.gz JHTIVRWZKMQUPA-LLVKDONJSA-N 0 0 342.417 2.851 10 5 EFBERN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cc([N+](=O)[O-])c[nH]1 ZINC000442803585 250122214 /nfs/dbraw/zinc/12/22/14/250122214.db2.gz XDXKYEYDGIMVNZ-UHFFFAOYSA-N 0 0 331.206 2.779 10 5 EFBERN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)NCCc1ccccc1 ZINC000009691789 211116066 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Cc1nc(CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)no1 ZINC000444284089 250281691 /nfs/dbraw/zinc/28/16/91/250281691.db2.gz DXLOYFXXUGATEN-UHFFFAOYSA-N 0 0 348.362 2.645 10 5 EFBERN COc1cccc(C(=O)NCCC[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000444342516 250288905 /nfs/dbraw/zinc/28/89/05/250288905.db2.gz XMROJKGNALSQAR-OCCSQVGLSA-N 0 0 336.388 2.665 10 5 EFBERN COc1cccc(C(=O)NCCC[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000444342519 250289329 /nfs/dbraw/zinc/28/93/29/250289329.db2.gz XMROJKGNALSQAR-TZMCWYRMSA-N 0 0 336.388 2.665 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000444362821 250293481 /nfs/dbraw/zinc/29/34/81/250293481.db2.gz HNEBCAVLWCDETJ-SFYZADRCSA-N 0 0 334.298 2.683 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000093908324 218257174 /nfs/dbraw/zinc/25/71/74/218257174.db2.gz OSHKIIFFIVIVKT-UHFFFAOYSA-N 0 0 335.404 2.507 10 5 EFBERN CC(F)(F)c1cccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000444432478 250300099 /nfs/dbraw/zinc/30/00/99/250300099.db2.gz ICNKQQPSWUCHQN-UHFFFAOYSA-N 0 0 337.282 2.507 10 5 EFBERN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444672515 250325178 /nfs/dbraw/zinc/32/51/78/250325178.db2.gz KEGNNLFGOVSOGA-MRXNPFEDSA-N 0 0 326.356 2.948 10 5 EFBERN C[C@@H](Cn1cccn1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444854861 250357906 /nfs/dbraw/zinc/35/79/06/250357906.db2.gz GJDNMUOLTKBOBP-ZDUSSCGKSA-N 0 0 346.390 2.696 10 5 EFBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCc2n[nH]cc2C1 ZINC000444862696 250359564 /nfs/dbraw/zinc/35/95/64/250359564.db2.gz WOZWRVVNYDFOGK-UHFFFAOYSA-N 0 0 344.374 2.603 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000094062865 218263427 /nfs/dbraw/zinc/26/34/27/218263427.db2.gz OKTLVOCSRRYQNP-HNNXBMFYSA-N 0 0 331.416 2.830 10 5 EFBERN CC[C@]1(O)CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445217946 250395035 /nfs/dbraw/zinc/39/50/35/250395035.db2.gz VFBZVPKNLHROQF-FQEVSTJZSA-N 0 0 336.391 2.668 10 5 EFBERN Cc1oc2ccccc2c1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445222171 250396039 /nfs/dbraw/zinc/39/60/39/250396039.db2.gz YUBRUENAZOSAMG-UHFFFAOYSA-N 0 0 341.323 2.723 10 5 EFBERN CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074071 218271365 /nfs/dbraw/zinc/27/13/65/218271365.db2.gz QPKMFOOBPZALQL-CYBMUJFWSA-N 0 0 336.392 2.826 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CC2CCC1CC2 ZINC000445223762 250396598 /nfs/dbraw/zinc/39/65/98/250396598.db2.gz MXWSHEXYRIRJEP-MGULZYLOSA-N 0 0 343.387 2.849 10 5 EFBERN O=C(NCCOCC(F)F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445257676 250399673 /nfs/dbraw/zinc/39/96/73/250399673.db2.gz KPKUYSIHGVFVJC-UHFFFAOYSA-N 0 0 346.333 2.693 10 5 EFBERN Cc1ocnc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445142836 250389700 /nfs/dbraw/zinc/38/97/00/250389700.db2.gz IFNLLPPYYYCNMN-UHFFFAOYSA-N 0 0 333.347 2.908 10 5 EFBERN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1cn[nH]c1 ZINC000445143111 250389779 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Cn1c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000342934228 145224342 /nfs/dbraw/zinc/22/43/42/145224342.db2.gz KUQWWICQODCRLI-GFCCVEGCSA-N 0 0 343.339 2.639 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000342936029 145224496 /nfs/dbraw/zinc/22/44/96/145224496.db2.gz VHXFPPAIFSNZRF-LBPRGKRZSA-N 0 0 329.312 2.629 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H]2CC(C)(C)OC2(C)C)c1[N+](=O)[O-] ZINC000342936643 145225157 /nfs/dbraw/zinc/22/51/57/145225157.db2.gz DHVNJDLCJVWEDE-NSHDSACASA-N 0 0 337.376 2.843 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000342939788 145225557 /nfs/dbraw/zinc/22/55/57/145225557.db2.gz QFWUOAWTRRZWFM-WQAKAFBOSA-N 0 0 337.376 2.556 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000342949801 145227885 /nfs/dbraw/zinc/22/78/85/145227885.db2.gz FYSSYOCFRPTYRW-OLZOCXBDSA-N 0 0 343.383 2.965 10 5 EFBERN CCC(=O)c1ccc(N[C@H](C)C2(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000343585894 145245145 /nfs/dbraw/zinc/24/51/45/145245145.db2.gz DCLAUSISVRUNLG-SNVBAGLBSA-N 0 0 340.401 2.565 10 5 EFBERN Cc1cc(=Nc2nc3sccn3c2[N+](=O)[O-])[nH]n1[C@@H](C)C1CC1 ZINC000343586194 145245228 /nfs/dbraw/zinc/24/52/28/145245228.db2.gz BOORYWHLHKZNSS-VIFPVBQESA-N 0 0 332.389 2.945 10 5 EFBERN C[C@H]1c2ccccc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343601582 145249470 /nfs/dbraw/zinc/24/94/70/145249470.db2.gz HCIBNLAPGAOEIH-DZGCQCFKSA-N 0 0 328.368 2.911 10 5 EFBERN CCc1nc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c(C)o1 ZINC000343719494 145278978 /nfs/dbraw/zinc/27/89/78/145278978.db2.gz DNNLTCPQASPYAT-UHFFFAOYSA-N 0 0 340.339 2.984 10 5 EFBERN O=C(c1cc(NCC[C@H]2CCOC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000343865308 145312488 /nfs/dbraw/zinc/31/24/88/145312488.db2.gz IMXHECTYEKRAJZ-ZDUSSCGKSA-N 0 0 333.388 2.669 10 5 EFBERN Cc1cc(NCC[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343875692 145313977 /nfs/dbraw/zinc/31/39/77/145313977.db2.gz NSMFXRQTVVQTSP-CYBMUJFWSA-N 0 0 328.372 2.621 10 5 EFBERN COc1cc(NCCNC(=O)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC000343901316 145320484 /nfs/dbraw/zinc/32/04/84/145320484.db2.gz PNRKBSRPEAVIHB-UHFFFAOYSA-N 0 0 347.346 2.893 10 5 EFBERN CN(C[C@@H]1CC=CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000343903912 145321507 /nfs/dbraw/zinc/32/15/07/145321507.db2.gz GMZZKFXGLHZTCJ-LLVKDONJSA-N 0 0 328.365 2.711 10 5 EFBERN COc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000343920788 145324924 /nfs/dbraw/zinc/32/49/24/145324924.db2.gz IITWYWHZCLSDSZ-UHFFFAOYSA-N 0 0 346.730 2.807 10 5 EFBERN CS[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000343954429 145332427 /nfs/dbraw/zinc/33/24/27/145332427.db2.gz HDRBEIOHVLTJPR-QMMMGPOBSA-N 0 0 338.476 2.712 10 5 EFBERN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cn[nH]c1 ZINC000343971124 145335788 /nfs/dbraw/zinc/33/57/88/145335788.db2.gz FFZNMDUCIMKTIE-LLVKDONJSA-N 0 0 329.360 2.753 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000343993023 145340210 /nfs/dbraw/zinc/34/02/10/145340210.db2.gz ASNPRGJGPCELBP-NSHDSACASA-N 0 0 342.417 2.660 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000344060369 145357861 /nfs/dbraw/zinc/35/78/61/145357861.db2.gz HEVGBXHGJRWRBK-CYBMUJFWSA-N 0 0 331.332 2.544 10 5 EFBERN C[C@H]1CCSCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000344087550 145365004 /nfs/dbraw/zinc/36/50/04/145365004.db2.gz TZQNRFWHWNJEOH-VIFPVBQESA-N 0 0 330.356 2.770 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000344091958 145365858 /nfs/dbraw/zinc/36/58/58/145365858.db2.gz CNOIXHRBNAHLKG-UHFFFAOYSA-N 0 0 326.352 2.901 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)NCC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000344123622 145373929 /nfs/dbraw/zinc/37/39/29/145373929.db2.gz VFCUKWSODAVVPK-SKDRFNHKSA-N 0 0 349.309 2.577 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000344123619 145374090 /nfs/dbraw/zinc/37/40/90/145374090.db2.gz VFCUKWSODAVVPK-CABZTGNLSA-N 0 0 349.309 2.577 10 5 EFBERN CS[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000344137471 145376894 /nfs/dbraw/zinc/37/68/94/145376894.db2.gz YPNPQNJOSLHFLF-CYBMUJFWSA-N 0 0 346.474 2.792 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc2c1CCO2 ZINC000344171478 145384559 /nfs/dbraw/zinc/38/45/59/145384559.db2.gz ZOBVHLOTLLJPBT-UHFFFAOYSA-N 0 0 334.278 2.989 10 5 EFBERN O=C(NCc1cn2cc(Cl)ccc2n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344182744 145386283 /nfs/dbraw/zinc/38/62/83/145386283.db2.gz VMQYRKGGBFWHHC-UHFFFAOYSA-N 0 0 348.721 2.965 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000344180605 145386348 /nfs/dbraw/zinc/38/63/48/145386348.db2.gz QFKYAQLGJWFKJA-SECBINFHSA-N 0 0 332.287 2.954 10 5 EFBERN CCOC(=O)CC[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000344194368 145389400 /nfs/dbraw/zinc/38/94/00/145389400.db2.gz MQFBJPVIOOGJKT-LBPRGKRZSA-N 0 0 336.388 2.720 10 5 EFBERN COc1cccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000344198991 145390817 /nfs/dbraw/zinc/39/08/17/145390817.db2.gz DCXRMVGFNNTYPC-LSDHHAIUSA-N 0 0 327.340 2.765 10 5 EFBERN COc1ccc2nc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)ccc2c1 ZINC000344206988 145392823 /nfs/dbraw/zinc/39/28/23/145392823.db2.gz HYXPPIFAVCICSP-UHFFFAOYSA-N 0 0 338.323 2.823 10 5 EFBERN O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344223122 145395717 /nfs/dbraw/zinc/39/57/17/145395717.db2.gz ZGDGVNGCGRFVSX-UHFFFAOYSA-N 0 0 335.316 2.962 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(-n2cccc2)ccn1 ZINC000345406753 145533583 /nfs/dbraw/zinc/53/35/83/145533583.db2.gz ORXIBXCZLFCILP-UHFFFAOYSA-N 0 0 336.351 2.753 10 5 EFBERN COc1cc2c(cc1F)CN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000347021033 145773389 /nfs/dbraw/zinc/77/33/89/145773389.db2.gz ZPQPMOJECWZJOE-UHFFFAOYSA-N 0 0 330.315 2.941 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCOC[C@@H]3C)n2)c1 ZINC000347122848 145794867 /nfs/dbraw/zinc/79/48/67/145794867.db2.gz RXCWRUDHPQOBGK-GXFFZTMASA-N 0 0 333.344 2.717 10 5 EFBERN Cc1nc(CC2CC2)sc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000347122759 145794992 /nfs/dbraw/zinc/79/49/92/145794992.db2.gz RLMRBHPMQSHXEM-UHFFFAOYSA-N 0 0 346.372 2.763 10 5 EFBERN CC(C)[C@H]1C[C@@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000347140645 145798996 /nfs/dbraw/zinc/79/89/96/145798996.db2.gz IXYGXNKIVRFBTL-KGLIPLIRSA-N 0 0 344.371 2.596 10 5 EFBERN CNC(=O)c1cccc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000347153415 145802315 /nfs/dbraw/zinc/80/23/15/145802315.db2.gz ALGYXWQGSDLHGG-UHFFFAOYSA-N 0 0 341.367 2.834 10 5 EFBERN CO[C@H](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347171772 145805997 /nfs/dbraw/zinc/80/59/97/145805997.db2.gz SYFJTCDOVJSHFI-MRVPVSSYSA-N 0 0 346.181 2.904 10 5 EFBERN C[C@@H](C[S@@](C)=O)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347213110 145815427 /nfs/dbraw/zinc/81/54/27/145815427.db2.gz JMIONFHYCSVLBM-SDWAUSNYSA-N 0 0 341.433 2.781 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCCC(F)(F)C1 ZINC000347220245 145816408 /nfs/dbraw/zinc/81/64/08/145816408.db2.gz XGWJMPJYWJXRRC-LBPRGKRZSA-N 0 0 348.371 2.635 10 5 EFBERN Cc1ocnc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347275465 145828887 /nfs/dbraw/zinc/82/88/87/145828887.db2.gz GNJWNRYWGMQUFS-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(NCc3ccccc3-n3cccn3)c21 ZINC000347407123 145861981 /nfs/dbraw/zinc/86/19/81/145861981.db2.gz KURDLCQLWJYSOY-UHFFFAOYSA-N 0 0 346.350 2.758 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355222169 146896819 /nfs/dbraw/zinc/89/68/19/146896819.db2.gz GRUORSRCFCTCMU-OLZOCXBDSA-N 0 0 343.383 2.965 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000348405238 145941793 /nfs/dbraw/zinc/94/17/93/145941793.db2.gz UPDWMOYNLMXYCB-LLVKDONJSA-N 0 0 346.265 2.572 10 5 EFBERN CC1(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000348467357 145952702 /nfs/dbraw/zinc/95/27/02/145952702.db2.gz VTNAUYWCLLQVSM-ZDUSSCGKSA-N 0 0 332.404 2.973 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CCOC(C)(C)C)C1=O ZINC000348505813 145958701 /nfs/dbraw/zinc/95/87/01/145958701.db2.gz OFXICLLOJMAYCO-FZMZJTMJSA-N 0 0 349.387 2.781 10 5 EFBERN CN(C)C(=O)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC000348538314 145967868 /nfs/dbraw/zinc/96/78/68/145967868.db2.gz BIHZYIJYMDCLOC-UHFFFAOYSA-N 0 0 348.746 2.597 10 5 EFBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CCOC1 ZINC000349132689 146057338 /nfs/dbraw/zinc/05/73/38/146057338.db2.gz SPCMFERSTZHJLS-IUCAKERBSA-N 0 0 332.278 2.768 10 5 EFBERN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)NC1CCCCC1 ZINC000349147892 146059551 /nfs/dbraw/zinc/05/95/51/146059551.db2.gz ZHEDVIMJGYUSAL-UHFFFAOYSA-N 0 0 328.372 2.907 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1cnc(C)nc1 ZINC000350721173 146083294 /nfs/dbraw/zinc/08/32/94/146083294.db2.gz SMDNDCBHGISVLL-NSHDSACASA-N 0 0 335.385 2.678 10 5 EFBERN Cc1cn2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000350728413 146084366 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C[C@@H]1CCCN(c2ccc(C(=O)N(C)CCCCO)cc2[N+](=O)[O-])C1 ZINC000351786263 146203265 /nfs/dbraw/zinc/20/32/65/146203265.db2.gz SGGHKEHRVWDMPN-CQSZACIVSA-N 0 0 349.431 2.676 10 5 EFBERN COc1cc(Cn2ncc(Cl)c(Cl)c2=O)ccc1[N+](=O)[O-] ZINC000351814930 146209517 /nfs/dbraw/zinc/20/95/17/146209517.db2.gz YPABXLDEJVLQTI-UHFFFAOYSA-N 0 0 330.127 2.515 10 5 EFBERN CCc1cc(N(C)Cc2cc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351814905 146209547 /nfs/dbraw/zinc/20/95/47/146209547.db2.gz YKPVZYNWKPLAOD-UHFFFAOYSA-N 0 0 338.371 2.974 10 5 EFBERN COc1cc(COc2cccc(-n3cncn3)c2)ccc1[N+](=O)[O-] ZINC000351896377 146229319 /nfs/dbraw/zinc/22/93/19/146229319.db2.gz IJQXQTOTNICNGW-UHFFFAOYSA-N 0 0 326.312 2.763 10 5 EFBERN COC(=O)[C@@H](C)c1c(C)nn(Cc2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000351919815 146235645 /nfs/dbraw/zinc/23/56/45/146235645.db2.gz UDKSGWVINIYHFP-JTQLQIEISA-N 0 0 347.371 2.742 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)c3ccc(Cl)cc3)nc2c1 ZINC000351948932 146245701 /nfs/dbraw/zinc/24/57/01/146245701.db2.gz JTXHHUIFEKDFKQ-HNNXBMFYSA-N 0 0 346.774 2.948 10 5 EFBERN CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351964132 146250102 /nfs/dbraw/zinc/25/01/02/146250102.db2.gz JUVBITMUDVEKDO-ZDUSSCGKSA-N 0 0 335.404 2.685 10 5 EFBERN COc1cc(CN2CCN(c3ccccc3O)CC2)ccc1[N+](=O)[O-] ZINC000351977226 146253144 /nfs/dbraw/zinc/25/31/44/146253144.db2.gz GXIIWTNJHPXMDF-UHFFFAOYSA-N 0 0 343.383 2.631 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nnc(CN[C@H](CO)c3ccsc3)o2)cc1 ZINC000352021596 146266951 /nfs/dbraw/zinc/26/69/51/146266951.db2.gz MGXZWHZOYSBMEQ-CYBMUJFWSA-N 0 0 346.368 2.530 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NCc1cccc(C(=O)NC)c1 ZINC000352034465 146271430 /nfs/dbraw/zinc/27/14/30/146271430.db2.gz CAIHCHRHTLONSC-UHFFFAOYSA-N 0 0 329.356 2.965 10 5 EFBERN C[C@@H]1Cc2ccccc2[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352896101 146343502 /nfs/dbraw/zinc/34/35/02/146343502.db2.gz OAHBOLQFQQCNDS-SJKOYZFVSA-N 0 0 346.408 2.948 10 5 EFBERN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000352996825 146370245 /nfs/dbraw/zinc/37/02/45/146370245.db2.gz ZPZQBYOVRGDKOW-ZDUSSCGKSA-N 0 0 341.327 2.903 10 5 EFBERN COc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc(OC)c1C(C)C ZINC000353111169 146399260 /nfs/dbraw/zinc/39/92/60/146399260.db2.gz KHMSROURILHRMW-UHFFFAOYSA-N 0 0 348.359 2.571 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000353158317 146411309 /nfs/dbraw/zinc/41/13/09/146411309.db2.gz OHPWFZGBUGEORV-LLVKDONJSA-N 0 0 334.763 2.611 10 5 EFBERN COc1c(C(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000353356002 146458156 /nfs/dbraw/zinc/45/81/56/146458156.db2.gz OSSGBKKMGWUXGT-UHFFFAOYSA-N 0 0 341.367 2.566 10 5 EFBERN COc1cnc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nc1 ZINC000353425487 146476172 /nfs/dbraw/zinc/47/61/72/146476172.db2.gz WUZDFHPYYIEGFB-UHFFFAOYSA-N 0 0 330.344 2.943 10 5 EFBERN Cc1nc([C@](C)(NC(=O)Cc2cccc([N+](=O)[O-])c2C)C2CC2)no1 ZINC000353448262 146481371 /nfs/dbraw/zinc/48/13/71/146481371.db2.gz JWXASQZNQFHRPI-QGZVFWFLSA-N 0 0 344.371 2.579 10 5 EFBERN O=C(CN1CCc2c1cccc2[N+](=O)[O-])Nc1nc2c(s1)CCC2 ZINC000353544594 146507150 /nfs/dbraw/zinc/50/71/50/146507150.db2.gz COTRLEQCNRVEEX-UHFFFAOYSA-N 0 0 344.396 2.541 10 5 EFBERN Cn1c(-c2nc(CCn3cnc4ccccc43)no2)ccc1[N+](=O)[O-] ZINC000355579928 147002447 /nfs/dbraw/zinc/00/24/47/147002447.db2.gz SMBLAWPUAJUBID-UHFFFAOYSA-N 0 0 338.327 2.576 10 5 EFBERN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000355607548 147010946 /nfs/dbraw/zinc/01/09/46/147010946.db2.gz MYSFENANKWIAGU-UHFFFAOYSA-N 0 0 349.393 2.683 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000355791895 147065256 /nfs/dbraw/zinc/06/52/56/147065256.db2.gz XYTFJAUZVKAGKX-WOPDTQHZSA-N 0 0 349.387 2.628 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000355841451 147079136 /nfs/dbraw/zinc/07/91/36/147079136.db2.gz GOZZCQNDUNQXMT-UONOGXRCSA-N 0 0 328.372 2.785 10 5 EFBERN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000355850175 147081559 /nfs/dbraw/zinc/08/15/59/147081559.db2.gz HNXGVGSXLUTSJL-UHFFFAOYSA-N 0 0 337.339 2.864 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2O[C@@H](C)C1 ZINC000355901353 147094161 /nfs/dbraw/zinc/09/41/61/147094161.db2.gz BLXYXYYFZFCTDV-NSHDSACASA-N 0 0 327.340 2.722 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000355962778 147109786 /nfs/dbraw/zinc/10/97/86/147109786.db2.gz XLLDPJRWMHMDHE-UPJWGTAASA-N 0 0 343.387 2.682 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)n1 ZINC000355973763 147112671 /nfs/dbraw/zinc/11/26/71/147112671.db2.gz NLUNGNSZHSEGLO-CYBMUJFWSA-N 0 0 342.277 2.536 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccn(C)n1 ZINC000355976866 147113303 /nfs/dbraw/zinc/11/33/03/147113303.db2.gz IHYMSJRCZVLXCV-UHFFFAOYSA-N 0 0 334.401 2.760 10 5 EFBERN CCCOc1ccc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000356004164 147120757 /nfs/dbraw/zinc/12/07/57/147120757.db2.gz GBVPDMLBELTETM-UHFFFAOYSA-N 0 0 329.316 2.678 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2cccc(C(N)=O)c2)no1 ZINC000356193909 147172966 /nfs/dbraw/zinc/17/29/66/147172966.db2.gz NYWVPZMVSPDUFI-UHFFFAOYSA-N 0 0 338.323 2.643 10 5 EFBERN COc1c(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000356263584 147192707 /nfs/dbraw/zinc/19/27/07/147192707.db2.gz CBFWDTQAIRIEFQ-HNNXBMFYSA-N 0 0 346.387 2.854 10 5 EFBERN Cc1sc(C(=O)N[C@@H](CO)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000356334048 147214378 /nfs/dbraw/zinc/21/43/78/147214378.db2.gz LGDSYTCFTFTZSI-JTQLQIEISA-N 0 0 342.323 2.706 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(CCCn2ccccc2=O)no1 ZINC000356352725 147221288 /nfs/dbraw/zinc/22/12/88/147221288.db2.gz YEJUFJWZGYGXDK-UHFFFAOYSA-N 0 0 340.339 2.748 10 5 EFBERN COc1c(C(=O)N2CCO[C@@H](c3cccs3)C2)cccc1[N+](=O)[O-] ZINC000356409492 147236702 /nfs/dbraw/zinc/23/67/02/147236702.db2.gz OUPNCCDSHLMRDK-CYBMUJFWSA-N 0 0 348.380 2.879 10 5 EFBERN COc1c(C(=O)N2CCO[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000356411854 147237532 /nfs/dbraw/zinc/23/75/32/147237532.db2.gz FFFFDXHIHBZECV-CQSZACIVSA-N 0 0 348.380 2.879 10 5 EFBERN Cc1ccsc1[C@@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356440635 147245602 /nfs/dbraw/zinc/24/56/02/147245602.db2.gz XCUMNCMMCAFKIU-CQSZACIVSA-N 0 0 345.380 2.909 10 5 EFBERN Cc1ccsc1[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356462292 147250880 /nfs/dbraw/zinc/25/08/80/147250880.db2.gz UGMZYOJGYYLNJH-VIFPVBQESA-N 0 0 326.399 2.798 10 5 EFBERN Cc1ccsc1[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356462290 147250988 /nfs/dbraw/zinc/25/09/88/147250988.db2.gz UGMZYOJGYYLNJH-SECBINFHSA-N 0 0 326.399 2.798 10 5 EFBERN COc1c(C(=O)NCCC[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000356466844 147252297 /nfs/dbraw/zinc/25/22/97/147252297.db2.gz YUMMLZMJQHWDOO-IUODEOHRSA-N 0 0 336.388 2.665 10 5 EFBERN COc1c(C(=O)N[C@H](C)C(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000356496116 147260308 /nfs/dbraw/zinc/26/03/08/147260308.db2.gz HWIZAJVGTMDBIT-GFCCVEGCSA-N 0 0 342.351 2.534 10 5 EFBERN Cc1cc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000356543995 147272864 /nfs/dbraw/zinc/27/28/64/147272864.db2.gz APSONNHYNHMJMD-AWEZNQCLSA-N 0 0 330.315 2.776 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2cc3ccccc3s2)n1 ZINC000356604061 147288230 /nfs/dbraw/zinc/28/82/30/147288230.db2.gz LITMZDQHTYJDBF-UHFFFAOYSA-N 0 0 344.396 2.998 10 5 EFBERN Cc1nc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1-c1ccccc1 ZINC000356732165 147321985 /nfs/dbraw/zinc/32/19/85/147321985.db2.gz SFAPBXPBEBQMPV-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN NC(=O)C1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000356777967 147333223 /nfs/dbraw/zinc/33/32/23/147333223.db2.gz LERBOYAKJKTTPC-UHFFFAOYSA-N 0 0 329.303 2.652 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1n[nH]c2cc(F)ccc21 ZINC000356812500 147342681 /nfs/dbraw/zinc/34/26/81/147342681.db2.gz BUNOWVMGBUEMGT-UHFFFAOYSA-N 0 0 330.275 2.628 10 5 EFBERN C[C@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1c(F)cccc1F ZINC000356823417 147344704 /nfs/dbraw/zinc/34/47/04/147344704.db2.gz JBLXAKILXMOZEC-ZETCQYMHSA-N 0 0 335.270 2.808 10 5 EFBERN CCC[C@@](C)(O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356849000 147353972 /nfs/dbraw/zinc/35/39/72/147353972.db2.gz DPJAUXLJZKAOMH-GFCCVEGCSA-N 0 0 331.166 2.847 10 5 EFBERN CCC[C@](C)(O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356849001 147354038 /nfs/dbraw/zinc/35/40/38/147354038.db2.gz DPJAUXLJZKAOMH-LBPRGKRZSA-N 0 0 331.166 2.847 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@@H]1CCO ZINC000356864135 147357595 /nfs/dbraw/zinc/35/75/95/147357595.db2.gz QKTOJSQUELVGQL-CYBMUJFWSA-N 0 0 338.429 2.841 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCCC[C@H]1CCO ZINC000356866834 147358185 /nfs/dbraw/zinc/35/81/85/147358185.db2.gz RMIMYSVBTYXLCE-LBPRGKRZSA-N 0 0 331.372 2.843 10 5 EFBERN Nc1c(C(=O)N[C@H](c2nccs2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000356892256 147364456 /nfs/dbraw/zinc/36/44/56/147364456.db2.gz MDRWTQDTFQYIAB-SECBINFHSA-N 0 0 346.290 2.667 10 5 EFBERN CCOc1ccc(-c2nc(Cc3cc(C)on3)no2)cc1[N+](=O)[O-] ZINC000356898329 147366507 /nfs/dbraw/zinc/36/65/07/147366507.db2.gz VXBIUWLVKWJPNN-UHFFFAOYSA-N 0 0 330.300 2.931 10 5 EFBERN Cc1c([N+](=O)[O-])ccc(=O)n1Cc1csc(Br)c1 ZINC000356928416 147375463 /nfs/dbraw/zinc/37/54/63/147375463.db2.gz SLWBGSKCHZGZJK-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN CO[C@H](C)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344360692 285974271 /nfs/dbraw/zinc/97/42/71/285974271.db2.gz ZKLSEJTWUIJHTN-IVZWLZJFSA-N 0 0 330.768 2.555 10 5 EFBERN C[C@@H](Cc1noc(CCn2cc([N+](=O)[O-])cn2)n1)c1ccccc1 ZINC000357287865 147481112 /nfs/dbraw/zinc/48/11/12/147481112.db2.gz XFNHMDGUXWSTRD-LBPRGKRZSA-N 0 0 327.344 2.763 10 5 EFBERN Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000006500226 292168739 /nfs/dbraw/zinc/16/87/39/292168739.db2.gz RXWRLNWGSVBGGB-UHFFFAOYSA-N 0 0 328.733 2.719 10 5 EFBERN COCC[C@@H](COC)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000357587738 147566122 /nfs/dbraw/zinc/56/61/22/147566122.db2.gz VECXKCCSZAURCM-AWEZNQCLSA-N 0 0 349.362 2.681 10 5 EFBERN Cc1nc(N2CCO[C@@H](COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000357745432 147609238 /nfs/dbraw/zinc/60/92/38/147609238.db2.gz FEDVPCSROSRUNY-OAHLLOKOSA-N 0 0 329.356 2.582 10 5 EFBERN COc1ccc(O[C@H](C)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000358881913 147926945 /nfs/dbraw/zinc/92/69/45/147926945.db2.gz DKZBBRNCOSADBI-CYBMUJFWSA-N 0 0 344.367 2.730 10 5 EFBERN COC(=O)CCN(Cc1ccncc1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359101178 147994935 /nfs/dbraw/zinc/99/49/35/147994935.db2.gz ZKWGCUZPHNTYIG-UHFFFAOYSA-N 0 0 344.371 2.571 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC2CCC(c3ccc(F)cc3)CC2)n1 ZINC000359122216 148001167 /nfs/dbraw/zinc/00/11/67/148001167.db2.gz NDQLPLHGRYWYIM-UHFFFAOYSA-N 0 0 346.362 2.924 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(C(F)(F)F)cc1 ZINC000359182665 148017494 /nfs/dbraw/zinc/01/74/94/148017494.db2.gz DQKJMKNOQONBTC-UHFFFAOYSA-N 0 0 326.230 2.658 10 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286249987 /nfs/dbraw/zinc/24/99/87/286249987.db2.gz HRAFTMVSAJYRSH-UHFFFAOYSA-N 0 0 342.417 2.851 10 5 EFBERN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CC(=O)N1Cc1ccccc1 ZINC000374414159 151343576 /nfs/dbraw/zinc/34/35/76/151343576.db2.gz GLDTZHLNABNKBR-PWSUYJOCSA-N 0 0 332.385 2.653 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000374453699 151351234 /nfs/dbraw/zinc/35/12/34/151351234.db2.gz CJTVSXOHMJWFIO-LBPRGKRZSA-N 0 0 330.344 2.524 10 5 EFBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000374721259 151401812 /nfs/dbraw/zinc/40/18/12/151401812.db2.gz YDJZUDHGMYQVRP-LBPRGKRZSA-N 0 0 347.321 2.973 10 5 EFBERN NC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)c2ccccc21 ZINC000374904072 151434246 /nfs/dbraw/zinc/43/42/46/151434246.db2.gz SHACGBCGYBMTDC-CYBMUJFWSA-N 0 0 329.331 2.713 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@@H](C2CC2)C1 ZINC000375332528 151513872 /nfs/dbraw/zinc/51/38/72/151513872.db2.gz MLWXELLNZNEHLA-CQSZACIVSA-N 0 0 338.335 2.526 10 5 EFBERN COc1ccc(/C=C\c2nn3cnc4ccccc4c3nc2=O)cc1 ZINC000222156631 286269048 /nfs/dbraw/zinc/26/90/48/286269048.db2.gz CAKLBDUHABLKBQ-FLIBITNWSA-N 0 0 330.347 2.817 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000376280597 151689119 /nfs/dbraw/zinc/68/91/19/151689119.db2.gz XNBKVBNISYIEGL-UHFFFAOYSA-N 0 0 332.381 2.962 10 5 EFBERN CC(=O)c1cc(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000376421431 151711486 /nfs/dbraw/zinc/71/14/86/151711486.db2.gz PHPRMIQOCUAIDQ-FHSNZYRGSA-N 0 0 348.399 2.960 10 5 EFBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000377144259 151828619 /nfs/dbraw/zinc/82/86/19/151828619.db2.gz ZTIKTLVVNIFMTK-ZJNRKIDTSA-N 0 0 348.399 2.960 10 5 EFBERN Cc1noc(C2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000377245099 151843765 /nfs/dbraw/zinc/84/37/65/151843765.db2.gz NDESMRDWWQCSGR-UHFFFAOYSA-N 0 0 344.371 2.671 10 5 EFBERN O=[N+]([O-])c1ccc2nc(NCc3cccnc3-n3ccnc3)ccc2c1 ZINC000378012458 151988636 /nfs/dbraw/zinc/98/86/36/151988636.db2.gz VYKMXFJOOCVYGQ-UHFFFAOYSA-N 0 0 346.350 2.758 10 5 EFBERN Cc1c(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000378137698 152017903 /nfs/dbraw/zinc/01/79/03/152017903.db2.gz HIHFTRNZIVRLKN-ZDUSSCGKSA-N 0 0 330.315 2.776 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccn2)CC1 ZINC000378257961 152042449 /nfs/dbraw/zinc/04/24/49/152042449.db2.gz BXOCXWZTWYEVKU-UHFFFAOYSA-N 0 0 341.367 2.775 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000378285201 152048433 /nfs/dbraw/zinc/04/84/33/152048433.db2.gz QIMIKLXXNOALHM-OAHLLOKOSA-N 0 0 348.399 2.882 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000378285200 152048709 /nfs/dbraw/zinc/04/87/09/152048709.db2.gz QIMIKLXXNOALHM-HNNXBMFYSA-N 0 0 348.399 2.882 10 5 EFBERN Nc1c(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000378392966 152073873 /nfs/dbraw/zinc/07/38/73/152073873.db2.gz GZANLQMNQBKBMB-SUMWQHHRSA-N 0 0 341.367 2.685 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000378391056 152074071 /nfs/dbraw/zinc/07/40/71/152074071.db2.gz QWSOQFKJGUHQEI-KRWDZBQOSA-N 0 0 344.415 2.561 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ncon2)cc1OC(F)F ZINC000378420801 152080741 /nfs/dbraw/zinc/08/07/41/152080741.db2.gz GTPYKFIZWUVRPL-JTQLQIEISA-N 0 0 326.259 2.921 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000408303678 152173939 /nfs/dbraw/zinc/17/39/39/152173939.db2.gz RUULZWIALCNOIQ-AGIUHOORSA-N 0 0 326.418 2.791 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000408303681 152173962 /nfs/dbraw/zinc/17/39/62/152173962.db2.gz RUULZWIALCNOIQ-UPJWGTAASA-N 0 0 326.418 2.791 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000408303016 152173997 /nfs/dbraw/zinc/17/39/97/152173997.db2.gz LKDQRSHVWXNYBY-JHJVBQTASA-N 0 0 326.418 2.791 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000408302848 152174461 /nfs/dbraw/zinc/17/44/61/152174461.db2.gz JNZYYVRUABLNHK-JHJVBQTASA-N 0 0 326.418 2.791 10 5 EFBERN CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000089484437 286613240 /nfs/dbraw/zinc/61/32/40/286613240.db2.gz GIJVIMKKGAGWAG-MRXNPFEDSA-N 0 0 345.380 2.706 10 5 EFBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000151537181 286997866 /nfs/dbraw/zinc/99/78/66/286997866.db2.gz JPZJTXIATBITHG-GFCCVEGCSA-N 0 0 342.417 2.947 10 5 EFBERN C[C@@H](O)CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000305718959 164535249 /nfs/dbraw/zinc/53/52/49/164535249.db2.gz HWJZKJQJZDVNKG-CYBMUJFWSA-N 0 0 343.383 2.708 10 5 EFBERN C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ncccc1F ZINC000359132849 164656595 /nfs/dbraw/zinc/65/65/95/164656595.db2.gz UMVCCCGITRCGDR-GFCCVEGCSA-N 0 0 331.347 2.934 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2COc3ccccc3O2)c1 ZINC000359841492 164659558 /nfs/dbraw/zinc/65/95/58/164659558.db2.gz AEUCSMVEVZCAEC-GFCCVEGCSA-N 0 0 344.323 2.633 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CCc2ccccc2)n1 ZINC000372853694 164730289 /nfs/dbraw/zinc/73/02/89/164730289.db2.gz ARKOSWBFQOQELC-AWEZNQCLSA-N 0 0 328.372 2.566 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000342949802 304479967 /nfs/dbraw/zinc/47/99/67/304479967.db2.gz FYSSYOCFRPTYRW-QWHCGFSZSA-N 0 0 343.383 2.965 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000365977588 292586603 /nfs/dbraw/zinc/58/66/03/292586603.db2.gz RYKRDWCXPJGGCA-CQSZACIVSA-N 0 0 340.335 2.678 10 5 EFBERN C[C@@](O)(CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1Cl ZINC000160191847 225358625 /nfs/dbraw/zinc/35/86/25/225358625.db2.gz LRDMBIBJBJPHQO-OAHLLOKOSA-N 0 0 347.762 2.611 10 5 EFBERN Cc1sc(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000162709400 225856556 /nfs/dbraw/zinc/85/65/56/225856556.db2.gz DLKSSJUUHPKMCK-RTHLEPHNSA-N 0 0 338.360 2.956 10 5 EFBERN CCOC(=O)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000122329790 222064333 /nfs/dbraw/zinc/06/43/33/222064333.db2.gz FBFSDUQAGFDIFF-UHFFFAOYSA-N 0 0 336.388 2.718 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1ncon1 ZINC000122598508 222121106 /nfs/dbraw/zinc/12/11/06/222121106.db2.gz OIUNMKLTQMUCOE-CQSZACIVSA-N 0 0 341.327 2.827 10 5 EFBERN CCc1nnc(COc2c(Br)cccc2[N+](=O)[O-])n1C ZINC000122797040 222158679 /nfs/dbraw/zinc/15/86/79/222158679.db2.gz JWFGLKVOLWSGMC-UHFFFAOYSA-N 0 0 341.165 2.627 10 5 EFBERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000123018397 222200235 /nfs/dbraw/zinc/20/02/35/222200235.db2.gz NUSUDRBLCWXGPG-YPMHNXCESA-N 0 0 338.335 2.586 10 5 EFBERN Cc1ccc(C(=O)N2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000124457805 222432812 /nfs/dbraw/zinc/43/28/12/222432812.db2.gz SRLCUDNZOBPPET-UHFFFAOYSA-N 0 0 328.372 2.657 10 5 EFBERN CCC(=O)N1CC[C@H](C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000124906345 222494550 /nfs/dbraw/zinc/49/45/50/222494550.db2.gz MOXBDFRRTAZSNN-JSGCOSHPSA-N 0 0 334.372 2.766 10 5 EFBERN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CCN1CC(F)F ZINC000125383783 222556038 /nfs/dbraw/zinc/55/60/38/222556038.db2.gz LCFWXCIQECLXDP-LBPRGKRZSA-N 0 0 341.358 2.705 10 5 EFBERN C[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000171702144 227230115 /nfs/dbraw/zinc/23/01/15/227230115.db2.gz MAJINWXMBRCLQJ-VIFPVBQESA-N 0 0 329.809 2.624 10 5 EFBERN Cc1ccnc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000001418796 544419911 /nfs/dbraw/zinc/41/99/11/544419911.db2.gz RGXWBZWGVHYQOI-UHFFFAOYSA-N 0 0 330.369 2.733 10 5 EFBERN Cc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000181338875 544932434 /nfs/dbraw/zinc/93/24/34/544932434.db2.gz CHRCFVYRULYKKT-NSHDSACASA-N 0 0 331.347 2.992 10 5 EFBERN C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000045402940 272974507 /nfs/dbraw/zinc/97/45/07/272974507.db2.gz ZNLPSYBQGSRPLF-NSHDSACASA-N 0 0 343.339 2.884 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091756930 264663220 /nfs/dbraw/zinc/66/32/20/264663220.db2.gz NDJLPBNJDBRFGA-CJNGLKHVSA-N 0 0 348.305 2.821 10 5 EFBERN Cc1ccn2ncc(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2n1 ZINC000177847340 264887274 /nfs/dbraw/zinc/88/72/74/264887274.db2.gz MSIGQYSISURYAD-LBPRGKRZSA-N 0 0 339.355 2.745 10 5 EFBERN COc1cccc2c1nc(NC(=O)Cc1cccc([N+](=O)[O-])c1)n2C ZINC000184438968 265017443 /nfs/dbraw/zinc/01/74/43/265017443.db2.gz NYCZALLPLQBKDB-UHFFFAOYSA-N 0 0 340.339 2.671 10 5 EFBERN C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184982972 265030409 /nfs/dbraw/zinc/03/04/09/265030409.db2.gz LPDHGEYSBLFVCO-GFCCVEGCSA-N 0 0 329.356 2.923 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)N1CCCCCC1 ZINC000184983455 265030882 /nfs/dbraw/zinc/03/08/82/265030882.db2.gz LNOJYGICDVVRSA-UHFFFAOYSA-N 0 0 329.356 2.924 10 5 EFBERN COc1c(F)cc(S(=O)(=O)NCCC2CCCC2)cc1[N+](=O)[O-] ZINC000186308002 265061853 /nfs/dbraw/zinc/06/18/53/265061853.db2.gz ZZLIQROAYGSWAA-UHFFFAOYSA-N 0 0 346.380 2.601 10 5 EFBERN CC1(C)CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)O1 ZINC000187380990 265097261 /nfs/dbraw/zinc/09/72/61/265097261.db2.gz PUQHQNMFHNWRLX-NSHDSACASA-N 0 0 329.356 2.830 10 5 EFBERN C[C@@H]1C(=O)NCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000189076323 265171371 /nfs/dbraw/zinc/17/13/71/265171371.db2.gz UJQAFSMWXJAJQN-GFCCVEGCSA-N 0 0 329.356 2.565 10 5 EFBERN CO[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1C ZINC000189264458 265181335 /nfs/dbraw/zinc/18/13/35/265181335.db2.gz DBGDHDGMYYAXIA-RISCZKNCSA-N 0 0 332.360 2.502 10 5 EFBERN COc1ccc(F)cc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000189336161 265183992 /nfs/dbraw/zinc/18/39/92/265183992.db2.gz CGLUMXQWOMLUOP-UHFFFAOYSA-N 0 0 347.346 2.861 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)cn1 ZINC000190042857 265207739 /nfs/dbraw/zinc/20/77/39/265207739.db2.gz LGMWIUXSBSQFPM-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN CO[C@@H]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000191748979 265274575 /nfs/dbraw/zinc/27/45/75/265274575.db2.gz QGBVVCZKBGDPIR-CMPLNLGQSA-N 0 0 343.177 2.655 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)Nc2ncccc2F)cc1[N+](=O)[O-] ZINC000191914295 265281946 /nfs/dbraw/zinc/28/19/46/265281946.db2.gz OQXLRGYBZNXTDQ-UHFFFAOYSA-N 0 0 325.321 2.547 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(C)o1 ZINC000193637394 265338103 /nfs/dbraw/zinc/33/81/03/265338103.db2.gz JAJHCEVGLBQWBK-LLVKDONJSA-N 0 0 333.344 2.794 10 5 EFBERN Cc1cc(COCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000193738998 265344315 /nfs/dbraw/zinc/34/43/15/265344315.db2.gz PFQXYSHFMPSJCP-GFCCVEGCSA-N 0 0 333.344 2.594 10 5 EFBERN Cc1ccc(OCCCNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000194925099 265396648 /nfs/dbraw/zinc/39/66/48/265396648.db2.gz VUFJAKPNBCIAPG-UHFFFAOYSA-N 0 0 329.356 2.806 10 5 EFBERN C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000270212516 265652591 /nfs/dbraw/zinc/65/25/91/265652591.db2.gz DVOAXHFYXXZFKK-UONOGXRCSA-N 0 0 349.431 2.578 10 5 EFBERN CCOC(=O)CC[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270556116 265744469 /nfs/dbraw/zinc/74/44/69/265744469.db2.gz OFLQXZBXIDRQLU-JTQLQIEISA-N 0 0 334.328 2.803 10 5 EFBERN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270860548 265828238 /nfs/dbraw/zinc/82/82/38/265828238.db2.gz ZTCHPFYNRYPRNQ-QWHCGFSZSA-N 0 0 328.372 2.655 10 5 EFBERN COc1cc(N2CCCN(CC(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000270961532 265860195 /nfs/dbraw/zinc/86/01/95/265860195.db2.gz OBBDFQBRCRLJCQ-UHFFFAOYSA-N 0 0 333.310 2.520 10 5 EFBERN Cc1ccc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000271249923 265928120 /nfs/dbraw/zinc/92/81/20/265928120.db2.gz DGOGCSMANGYTAY-NVXWUHKLSA-N 0 0 346.383 2.821 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)n1 ZINC000271439391 265977739 /nfs/dbraw/zinc/97/77/39/265977739.db2.gz SYSGIBQXYSEQMX-CQSZACIVSA-N 0 0 334.351 2.985 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000271505325 265996040 /nfs/dbraw/zinc/99/60/40/265996040.db2.gz ZLYMVTGHNWFYFY-GFCCVEGCSA-N 0 0 342.399 2.913 10 5 EFBERN CC[C@@H](NC(=O)N(C)CCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000271633526 266028099 /nfs/dbraw/zinc/02/80/99/266028099.db2.gz YXSQRQSBIGUHTM-MRXNPFEDSA-N 0 0 343.387 2.720 10 5 EFBERN CC[C@H](NC(=O)N(C)CCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000271633522 266028477 /nfs/dbraw/zinc/02/84/77/266028477.db2.gz YXSQRQSBIGUHTM-INIZCTEOSA-N 0 0 343.387 2.720 10 5 EFBERN CC(C)c1noc(CCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271658613 266035316 /nfs/dbraw/zinc/03/53/16/266035316.db2.gz GJHAGGKQKWTFCE-NSHDSACASA-N 0 0 332.360 2.911 10 5 EFBERN Cc1ccccc1[C@@H](O)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271668092 266037826 /nfs/dbraw/zinc/03/78/26/266037826.db2.gz MKKHFXVFEPCWTI-DYVFJYSZSA-N 0 0 343.383 2.997 10 5 EFBERN COC(=O)c1cc(N[C@@H]2CCCc3c2cnn3C)cc(C)c1[N+](=O)[O-] ZINC000271679877 266040354 /nfs/dbraw/zinc/04/03/54/266040354.db2.gz YWJPMZDFOWSBCX-CQSZACIVSA-N 0 0 344.371 2.913 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271687168 266041679 /nfs/dbraw/zinc/04/16/79/266041679.db2.gz PXUOGMFAUPMZGQ-CXAGYDPISA-N 0 0 343.383 2.997 10 5 EFBERN C[C@@H](NC(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000271749110 266053884 /nfs/dbraw/zinc/05/38/84/266053884.db2.gz RZVYNEQQHSLPIH-OLZOCXBDSA-N 0 0 343.387 2.968 10 5 EFBERN CC(C)[C@@H](O)C1(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271988865 266116449 /nfs/dbraw/zinc/11/64/49/266116449.db2.gz RJGUPLQIJIGMHD-IUODEOHRSA-N 0 0 335.404 2.752 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000272324076 266229932 /nfs/dbraw/zinc/22/99/32/266229932.db2.gz LPPKSHIEMZCTFT-GDBMZVCRSA-N 0 0 349.431 2.571 10 5 EFBERN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000272356021 266240601 /nfs/dbraw/zinc/24/06/01/266240601.db2.gz RGVSQAPIZDLCET-SECBINFHSA-N 0 0 337.767 2.574 10 5 EFBERN C[C@H]1SCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000272369802 266244068 /nfs/dbraw/zinc/24/40/68/266244068.db2.gz DMWGGIAUMHOINW-ABAIWWIYSA-N 0 0 346.412 2.647 10 5 EFBERN CC[C@H](NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000273337336 266485136 /nfs/dbraw/zinc/48/51/36/266485136.db2.gz PJBFRALDTVVKGX-TYDXBBDOSA-N 0 0 346.305 2.816 10 5 EFBERN CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000273485484 266507457 /nfs/dbraw/zinc/50/74/57/266507457.db2.gz RJMQZQAYFSCLLS-BXUZGUMPSA-N 0 0 339.367 2.995 10 5 EFBERN CC[C@@H](NC(=O)NC[C@@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000275094788 266749675 /nfs/dbraw/zinc/74/96/75/266749675.db2.gz IWAAJWSYVWCQCD-DGCLKSJQSA-N 0 0 349.309 2.658 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)c1ccco1 ZINC000276544515 267009862 /nfs/dbraw/zinc/00/98/62/267009862.db2.gz GSUKLUAKLNCJMJ-HNNXBMFYSA-N 0 0 338.747 2.787 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(C(C)C)CC1 ZINC000276579122 267017151 /nfs/dbraw/zinc/01/71/51/267017151.db2.gz LLQFDTQZCSTDBS-UHFFFAOYSA-N 0 0 325.796 2.723 10 5 EFBERN CNC(=O)c1ccc(NC[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000276682954 267035518 /nfs/dbraw/zinc/03/55/18/267035518.db2.gz GAYLULHIXYBZAH-QGZVFWFLSA-N 0 0 335.404 2.698 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000276926115 267077931 /nfs/dbraw/zinc/07/79/31/267077931.db2.gz LPHVBXGGGACYGM-UHFFFAOYSA-N 0 0 328.328 2.594 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000277051466 267106088 /nfs/dbraw/zinc/10/60/88/267106088.db2.gz IUKSLYFELRDDOP-UHFFFAOYSA-N 0 0 341.367 2.566 10 5 EFBERN CCOC(=O)c1ccnc(N2CC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000277559782 267198002 /nfs/dbraw/zinc/19/80/02/267198002.db2.gz YPJPHRTUTRUFFG-SECBINFHSA-N 0 0 347.293 2.945 10 5 EFBERN C[C@@H]1COCC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000277697343 267237321 /nfs/dbraw/zinc/23/73/21/267237321.db2.gz RDSWSKHQTYITGK-CZUORRHYSA-N 0 0 335.404 2.642 10 5 EFBERN C[C@@H](N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C(F)(F)F ZINC000277888986 267290145 /nfs/dbraw/zinc/29/01/45/267290145.db2.gz QDVZRUUHQXRYCK-SECBINFHSA-N 0 0 343.309 2.544 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCC(=O)NCC(F)(F)F ZINC000277913648 267296777 /nfs/dbraw/zinc/29/67/77/267296777.db2.gz YRRVMJHHBVBUDX-UHFFFAOYSA-N 0 0 325.674 2.647 10 5 EFBERN Cc1ccoc1C(=O)NCCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277917041 267298468 /nfs/dbraw/zinc/29/84/68/267298468.db2.gz SMWYLFXRZSTHRH-UHFFFAOYSA-N 0 0 343.343 2.605 10 5 EFBERN COc1ccc(N2C(=O)N[C@@H](CCC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000277922152 267299957 /nfs/dbraw/zinc/29/99/57/267299957.db2.gz BDRHUKCNVUAPHB-NSHDSACASA-N 0 0 335.360 2.855 10 5 EFBERN Cc1noc(CCCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000277996618 267317714 /nfs/dbraw/zinc/31/77/14/267317714.db2.gz KDJJIQQRGLVSBW-UHFFFAOYSA-N 0 0 338.751 2.611 10 5 EFBERN CCO[C@H]1C[C@]2(NC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000278000643 267318787 /nfs/dbraw/zinc/31/87/87/267318787.db2.gz INQULTFOQFCVOS-SUMWQHHRSA-N 0 0 347.371 2.533 10 5 EFBERN CCO[C@@H]1C[C@@]2(NC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000278000631 267319082 /nfs/dbraw/zinc/31/90/82/267319082.db2.gz INQULTFOQFCVOS-DYVFJYSZSA-N 0 0 347.371 2.533 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278126192 267349107 /nfs/dbraw/zinc/34/91/07/267349107.db2.gz YVNQYWUAVMQPFC-ZDUSSCGKSA-N 0 0 345.403 2.726 10 5 EFBERN Cn1cc([C@@H](NCc2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cn1 ZINC000278168183 267358240 /nfs/dbraw/zinc/35/82/40/267358240.db2.gz JTDDMIBTVZIEES-GFCCVEGCSA-N 0 0 332.257 2.861 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3c3cc[nH]n3)cc2N1 ZINC000278478955 267454616 /nfs/dbraw/zinc/45/46/16/267454616.db2.gz FISUKODURMWUCP-CYBMUJFWSA-N 0 0 327.344 2.544 10 5 EFBERN CSc1ccc(C(=O)NC[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000151706165 273020155 /nfs/dbraw/zinc/02/01/55/273020155.db2.gz XNGXYKIYLUWAIX-AWEZNQCLSA-N 0 0 346.408 2.823 10 5 EFBERN CCOc1cccc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000161619978 273022264 /nfs/dbraw/zinc/02/22/64/273022264.db2.gz CGIPQYANEICQQN-UHFFFAOYSA-N 0 0 347.346 2.687 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](COC)c2ccco2)cc1[N+](=O)[O-] ZINC000173752743 273025614 /nfs/dbraw/zinc/02/56/14/273025614.db2.gz HZIREXAEAFJVTQ-GFCCVEGCSA-N 0 0 334.328 2.704 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(F)ccc1F ZINC000177086632 273036699 /nfs/dbraw/zinc/03/66/99/273036699.db2.gz VUNZVTRZIJRCOC-UHFFFAOYSA-N 0 0 336.294 2.854 10 5 EFBERN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1F ZINC000176967856 273035637 /nfs/dbraw/zinc/03/56/37/273035637.db2.gz JZMMEYSPLWMOCQ-SECBINFHSA-N 0 0 335.310 2.989 10 5 EFBERN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)cc1F ZINC000176967842 273035654 /nfs/dbraw/zinc/03/56/54/273035654.db2.gz JZMMEYSPLWMOCQ-VIFPVBQESA-N 0 0 335.310 2.989 10 5 EFBERN COc1cc(S(=O)(=O)N[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000177049793 273036117 /nfs/dbraw/zinc/03/61/17/273036117.db2.gz JVOKMSIYXYZOII-SECBINFHSA-N 0 0 342.398 2.704 10 5 EFBERN CC[C@@H](NC(=O)c1cccc(NC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000177805821 273038499 /nfs/dbraw/zinc/03/84/99/273038499.db2.gz UPYMEJJRDSVSHO-OAHLLOKOSA-N 0 0 342.355 2.967 10 5 EFBERN CC[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177806900 273038506 /nfs/dbraw/zinc/03/85/06/273038506.db2.gz KKNQLIBYERGHHR-HNNXBMFYSA-N 0 0 327.340 2.575 10 5 EFBERN CC[C@H](NC(=O)CCCC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177800732 273038514 /nfs/dbraw/zinc/03/85/14/273038514.db2.gz BFKBAHXAQDKXNY-HNNXBMFYSA-N 0 0 335.404 2.857 10 5 EFBERN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000178617442 273040664 /nfs/dbraw/zinc/04/06/64/273040664.db2.gz QMVZYHFZKTWCKP-JTQLQIEISA-N 0 0 326.399 2.837 10 5 EFBERN CCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC ZINC000279045993 273170124 /nfs/dbraw/zinc/17/01/24/273170124.db2.gz AKARTMFLWIOTIT-JTQLQIEISA-N 0 0 328.390 2.674 10 5 EFBERN O=C(c1scnc1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188513397 273057584 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312373312 /nfs/dbraw/zinc/37/33/12/312373312.db2.gz KMWZEDGELMSOPN-MLGOLLRUSA-N 0 0 341.367 2.660 10 5 EFBERN C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000420583317 312373346 /nfs/dbraw/zinc/37/33/46/312373346.db2.gz KMWZEDGELMSOPN-BLLLJJGKSA-N 0 0 341.367 2.660 10 5 EFBERN C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000420583320 312373358 /nfs/dbraw/zinc/37/33/58/312373358.db2.gz KMWZEDGELMSOPN-WBMJQRKESA-N 0 0 341.367 2.660 10 5 EFBERN CC[C@@H]1C[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000420614479 312376098 /nfs/dbraw/zinc/37/60/98/312376098.db2.gz ALKCLNXNTMKTNL-RKDXNWHRSA-N 0 0 330.182 2.544 10 5 EFBERN Cc1cc(N2C[C@H](O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420647468 312379005 /nfs/dbraw/zinc/37/90/05/312379005.db2.gz YZHYJNHMHSQRHU-IUODEOHRSA-N 0 0 328.372 2.710 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC12CCSCC2 ZINC000420789948 312391004 /nfs/dbraw/zinc/39/10/04/312391004.db2.gz GIVCEPMIUQXLBR-AWEZNQCLSA-N 0 0 349.456 2.970 10 5 EFBERN Cc1ccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000426414039 312518208 /nfs/dbraw/zinc/51/82/08/312518208.db2.gz AJLUPROTSHTMIU-UHFFFAOYSA-N 0 0 339.351 2.804 10 5 EFBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCN1CCCc1ccccc1 ZINC000426907325 312534559 /nfs/dbraw/zinc/53/45/59/312534559.db2.gz PICPUNBWPMXFLG-MRXNPFEDSA-N 0 0 340.383 2.635 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCN(c2ccccc2)CC1 ZINC000430221292 312545246 /nfs/dbraw/zinc/54/52/46/312545246.db2.gz SLSXZCIMYGYIRX-UHFFFAOYSA-N 0 0 327.384 2.926 10 5 EFBERN C[C@@H]1COCC[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000432464639 312567592 /nfs/dbraw/zinc/56/75/92/312567592.db2.gz ZKRLTRCEIHZAAG-PSASIEDQSA-N 0 0 332.278 2.768 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc(F)c(Cl)cc1F ZINC000432930377 312586932 /nfs/dbraw/zinc/58/69/32/312586932.db2.gz DRXIBWWMEJZKAX-UHFFFAOYSA-N 0 0 342.689 2.632 10 5 EFBERN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000432956007 312588599 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329.356 2.634 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCc4c(F)cccc43)nn21 ZINC000450551808 312705963 /nfs/dbraw/zinc/70/59/63/312705963.db2.gz GQLVIRONMFTPMU-ZDUSSCGKSA-N 0 0 327.319 2.688 10 5 EFBERN CS(=O)(=O)c1ccc(NCCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000450555457 312706598 /nfs/dbraw/zinc/70/65/98/312706598.db2.gz MZUDAQGGBVXVEU-UHFFFAOYSA-N 0 0 342.417 2.617 10 5 EFBERN COC[C@@](C)(O)CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000450592484 312716450 /nfs/dbraw/zinc/71/64/50/312716450.db2.gz LMKSDFFLMUMBTB-INIZCTEOSA-N 0 0 326.393 2.972 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3cc(C4CC4)ccc3F)nn21 ZINC000450591666 312716717 /nfs/dbraw/zinc/71/67/17/312716717.db2.gz XUZUVVWKJNBFKW-UHFFFAOYSA-N 0 0 327.319 2.688 10 5 EFBERN O=C([C@@H]1CCCCC1(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450633255 312725519 /nfs/dbraw/zinc/72/55/19/312725519.db2.gz YGUJYWYGEHFDPJ-LBPRGKRZSA-N 0 0 325.315 2.700 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCO[C@@H](C(C)C)C2)n1 ZINC000450733634 312734976 /nfs/dbraw/zinc/73/49/76/312734976.db2.gz ACAIQMPKZKKMEE-BXUZGUMPSA-N 0 0 337.376 2.640 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000450773312 312743760 /nfs/dbraw/zinc/74/37/60/312743760.db2.gz RAWSOSDYLMVLCO-WMLDXEAASA-N 0 0 327.384 2.774 10 5 EFBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC2=CCCCC2)C1=O ZINC000450803334 312750383 /nfs/dbraw/zinc/75/03/83/312750383.db2.gz KGKFASZHZIJJSL-QGZVFWFLSA-N 0 0 329.356 2.862 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3ccnn3C)C2)n1 ZINC000450837413 312755748 /nfs/dbraw/zinc/75/57/48/312755748.db2.gz COOHKFGKDODQOS-TZMCWYRMSA-N 0 0 331.376 2.672 10 5 EFBERN CC1(C)COC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000450856588 312759874 /nfs/dbraw/zinc/75/98/74/312759874.db2.gz PFDQOCFQEHQMME-HNNXBMFYSA-N 0 0 333.388 2.668 10 5 EFBERN CCOC(=O)c1cc(N2CCC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000450878438 312765462 /nfs/dbraw/zinc/76/54/62/312765462.db2.gz ILZYJPKRPSYIBR-KRWDZBQOSA-N 0 0 334.372 2.778 10 5 EFBERN Cn1ccnc1[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000450949903 312781713 /nfs/dbraw/zinc/78/17/13/312781713.db2.gz LLLKYLAPTCREHT-JOYOIKCWSA-N 0 0 337.767 2.709 10 5 EFBERN Cn1ccnc1[C@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000450947133 312781917 /nfs/dbraw/zinc/78/19/17/312781917.db2.gz BFEORQNDWXOUJU-ZYHUDNBSSA-N 0 0 337.767 2.709 10 5 EFBERN COc1cc(C(=O)N[C@H](C)c2ccncc2OC)c([N+](=O)[O-])cc1F ZINC000451013807 312797206 /nfs/dbraw/zinc/79/72/06/312797206.db2.gz KEQDYESPHOAEIS-SECBINFHSA-N 0 0 349.318 2.637 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)c1cccnc1C ZINC000451070529 312811658 /nfs/dbraw/zinc/81/16/58/312811658.db2.gz YFOSGAPSEUEAAE-UHFFFAOYSA-N 0 0 335.385 2.740 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])CCO1 ZINC000454283160 312935063 /nfs/dbraw/zinc/93/50/63/312935063.db2.gz VVGIZWJBWQJXEB-BBRMVZONSA-N 0 0 335.404 2.845 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000456080994 313022434 /nfs/dbraw/zinc/02/24/34/313022434.db2.gz SAZLIOWGFZJVKU-HNNXBMFYSA-N 0 0 349.774 2.757 10 5 EFBERN CCOc1ccc(C(=O)N(C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000456107462 313028885 /nfs/dbraw/zinc/02/88/85/313028885.db2.gz USXASLGGRWWPID-INIZCTEOSA-N 0 0 344.367 2.799 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000456110774 313029475 /nfs/dbraw/zinc/02/94/75/313029475.db2.gz OVHFWXRPXLMYRQ-FRFSOERESA-N 0 0 348.399 2.759 10 5 EFBERN COc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000456123048 313032013 /nfs/dbraw/zinc/03/20/13/313032013.db2.gz VVYMVUULIUNYKQ-BPLDGKMQSA-N 0 0 348.399 2.759 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]([C@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000456133936 313034728 /nfs/dbraw/zinc/03/47/28/313034728.db2.gz BEBQWKPUVIIAPJ-PBHICJAKSA-N 0 0 348.399 2.520 10 5 EFBERN CCOc1ccc(C(=O)N[C@H]([C@@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000456133942 313034946 /nfs/dbraw/zinc/03/49/46/313034946.db2.gz BEBQWKPUVIIAPJ-YOEHRIQHSA-N 0 0 348.399 2.520 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)n1 ZINC000458244237 313093323 /nfs/dbraw/zinc/09/33/23/313093323.db2.gz LKIQMMLCGNWSHT-NSHDSACASA-N 0 0 334.351 2.654 10 5 EFBERN CC(C)(C)C1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458711442 313100872 /nfs/dbraw/zinc/10/08/72/313100872.db2.gz ZLKRGLVBKDRPFH-UHFFFAOYSA-N 0 0 331.376 2.659 10 5 EFBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)C(C)C)CC1 ZINC000470171817 313129584 /nfs/dbraw/zinc/12/95/84/313129584.db2.gz PBEPOQGVCPIVTD-PTNGSMBKSA-N 0 0 331.416 2.798 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000470360140 313131153 /nfs/dbraw/zinc/13/11/53/313131153.db2.gz YAXGKGDYJOLHBU-CVEARBPZSA-N 0 0 347.415 2.595 10 5 EFBERN CCOC(=O)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)Cc1ccccc1 ZINC000471061915 313139770 /nfs/dbraw/zinc/13/97/70/313139770.db2.gz MBFHKHDCKWCAOL-HNNXBMFYSA-N 0 0 343.383 2.554 10 5 EFBERN COC(=O)c1cc(NC(=O)CCc2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000471929054 313174886 /nfs/dbraw/zinc/17/48/86/313174886.db2.gz KRDJGTNXGPKCHN-UHFFFAOYSA-N 0 0 332.312 2.854 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000474371664 313208075 /nfs/dbraw/zinc/20/80/75/313208075.db2.gz CBWFQXIDTPOHSH-WXHSDQCUSA-N 0 0 326.418 2.958 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000474399615 313208397 /nfs/dbraw/zinc/20/83/97/313208397.db2.gz ZLAMJQKKYFOUSC-WZRBSPASSA-N 0 0 326.418 2.958 10 5 EFBERN COc1c(C(=O)NC[C@](C)(O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000477013981 313238473 /nfs/dbraw/zinc/23/84/73/313238473.db2.gz QPRXQRGXSKHOFQ-KRWDZBQOSA-N 0 0 336.388 2.665 10 5 EFBERN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000477961743 313247263 /nfs/dbraw/zinc/24/72/63/313247263.db2.gz FJIWRFPIYIKJDC-UKRRQHHQSA-N 0 0 333.388 2.938 10 5 EFBERN Cc1ccc(S(=O)(=O)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000479947002 313277918 /nfs/dbraw/zinc/27/79/18/313277918.db2.gz HBDFQQWOKPGWPG-YVMONPNESA-N 0 0 332.381 2.895 10 5 EFBERN Cc1c(CNC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000480064178 313278641 /nfs/dbraw/zinc/27/86/41/313278641.db2.gz UZYCTQWSJPNSDH-JKSUJKDBSA-N 0 0 347.415 2.861 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000480687098 313282901 /nfs/dbraw/zinc/28/29/01/313282901.db2.gz GEENYORXCNJDKI-ZDUSSCGKSA-N 0 0 326.418 2.878 10 5 EFBERN COc1cc(COc2cc(Cl)ccc2C(N)=O)ccc1[N+](=O)[O-] ZINC000484513954 313320729 /nfs/dbraw/zinc/32/07/29/313320729.db2.gz LIKZFFIRJJHWGG-UHFFFAOYSA-N 0 0 336.731 2.935 10 5 EFBERN O=C(N[C@@H](CO)c1ccsc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000487200635 313376045 /nfs/dbraw/zinc/37/60/45/313376045.db2.gz JXBILBACEMKYJY-JTQLQIEISA-N 0 0 326.761 2.773 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1cc[nH]n1 ZINC000487478389 313397778 /nfs/dbraw/zinc/39/77/78/313397778.db2.gz SDNKUOVDHYBEHV-CQSZACIVSA-N 0 0 336.298 2.502 10 5 EFBERN COC(=O)c1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])o1 ZINC000487728623 313422422 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EFBERN C[C@@H](C(=O)NCCc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000577255055 320092510 /nfs/dbraw/zinc/09/25/10/320092510.db2.gz JNANLPWQFFIUSX-GFCCVEGCSA-N 0 0 340.383 2.725 10 5 EFBERN CC=CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000577322580 320098847 /nfs/dbraw/zinc/09/88/47/320098847.db2.gz XSIXZDXWEBWEEN-MPNWYJEXSA-N 0 0 342.355 2.505 10 5 EFBERN O=C([C@H]1CCc2ccccc2C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000577379192 320105267 /nfs/dbraw/zinc/10/52/67/320105267.db2.gz KLIMAYQAUDDVAP-HNNXBMFYSA-N 0 0 337.379 2.680 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1COc2ccc(F)cc2C1 ZINC000578042755 320167972 /nfs/dbraw/zinc/16/79/72/320167972.db2.gz DPUACOFIJKQUCH-CQSZACIVSA-N 0 0 345.330 2.537 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CC[C@H](OCc2ccncc2)C1 ZINC000578206562 320184021 /nfs/dbraw/zinc/18/40/21/320184021.db2.gz XKHDSWPMVRMNFO-AWEZNQCLSA-N 0 0 329.356 2.794 10 5 EFBERN CC(C)(C)C1CC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000578217768 320184975 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O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000296949709 323695410 /nfs/dbraw/zinc/69/54/10/323695410.db2.gz BZBVUYCMZJGYHG-ZDUSSCGKSA-N 0 0 327.262 2.647 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3Cc3cccc(F)c3)nn21 ZINC000301915410 323716488 /nfs/dbraw/zinc/71/64/88/323716488.db2.gz IRMPMLKHDOKJNC-CQSZACIVSA-N 0 0 341.346 2.988 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc2ccccc2o1 ZINC000578931968 323842694 /nfs/dbraw/zinc/84/26/94/323842694.db2.gz CYOWNQIHWMHAAQ-UHFFFAOYSA-N 0 0 338.279 2.601 10 5 EFBERN CC(C)Oc1nc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000579128396 323891735 /nfs/dbraw/zinc/89/17/35/323891735.db2.gz QIKYJSFCUFZUPG-CABZTGNLSA-N 0 0 349.309 2.527 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000579746473 324024294 /nfs/dbraw/zinc/02/42/94/324024294.db2.gz PTAYGIFUEYQXHC-HOTGVXAUSA-N 0 0 346.408 2.992 10 5 EFBERN CCNC(=O)C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCC1 ZINC000580067281 324090364 /nfs/dbraw/zinc/09/03/64/324090364.db2.gz CQXOIANYPNQUKV-UHFFFAOYSA-N 0 0 332.404 2.587 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000580080713 324094584 /nfs/dbraw/zinc/09/45/84/324094584.db2.gz OLVBHOHBBRZJPF-BXUZGUMPSA-N 0 0 339.392 2.912 10 5 EFBERN CSc1ccc(C(=O)N2CC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000580537914 324183641 /nfs/dbraw/zinc/18/36/41/324183641.db2.gz XTVAJNIFVKDCOC-VIFPVBQESA-N 0 0 332.328 2.770 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000580547607 324185490 /nfs/dbraw/zinc/18/54/90/324185490.db2.gz KVCWDBFEIWFZCE-UHFFFAOYSA-N 0 0 326.418 2.824 10 5 EFBERN CCN(CCC[NH+]1CCCC1)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000580556354 324187298 /nfs/dbraw/zinc/18/72/98/324187298.db2.gz MQHVKEPAGLOKHA-UHFFFAOYSA-N 0 0 335.404 2.914 10 5 EFBERN CCC[C@@H](C)[C@H](CO)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000580561853 324189143 /nfs/dbraw/zinc/18/91/43/324189143.db2.gz AALYRBIYFZIUDT-KOLCDFICSA-N 0 0 346.330 2.723 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NC1CCN(C(=O)c2ccco2)CC1 ZINC000580636399 324202033 /nfs/dbraw/zinc/20/20/33/324202033.db2.gz BWPQGUBNHDBKNN-UHFFFAOYSA-N 0 0 345.355 2.913 10 5 EFBERN C[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580836554 324248735 /nfs/dbraw/zinc/24/87/35/324248735.db2.gz DUNSCARUXJPPPF-LLVKDONJSA-N 0 0 334.372 2.894 10 5 EFBERN CC(C)[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1(CO)CCC1 ZINC000581020456 324289542 /nfs/dbraw/zinc/28/95/42/324289542.db2.gz GXTLZOIVGAZHML-INIZCTEOSA-N 0 0 345.399 2.993 10 5 EFBERN CCOc1cc(CSC[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000581190030 324324492 /nfs/dbraw/zinc/32/44/92/324324492.db2.gz HOABQYFALVINNG-CYBMUJFWSA-N 0 0 326.418 2.557 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000581297010 324345522 /nfs/dbraw/zinc/34/55/22/324345522.db2.gz NBJPTXGLQRMVDH-SJLPKXTDSA-N 0 0 344.342 2.975 10 5 EFBERN COC(=O)c1cc(C)nc(N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000581301791 324347458 /nfs/dbraw/zinc/34/74/58/324347458.db2.gz FVQIZUGJJYRWAP-PSASIEDQSA-N 0 0 347.293 2.862 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c(O)cccc1F ZINC000581394569 324366426 /nfs/dbraw/zinc/36/64/26/324366426.db2.gz PUPIECZZYNAJLN-UHFFFAOYSA-N 0 0 343.314 2.893 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000581835038 324462460 /nfs/dbraw/zinc/46/24/60/324462460.db2.gz KNUNHMQKXATTRE-BFHYXJOUSA-N 0 0 333.388 2.662 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000581835041 324462853 /nfs/dbraw/zinc/46/28/53/324462853.db2.gz KNUNHMQKXATTRE-MGPQQGTHSA-N 0 0 333.388 2.662 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)n1 ZINC000582462887 324597525 /nfs/dbraw/zinc/59/75/25/324597525.db2.gz WRMDMZURYXSVJC-CQSZACIVSA-N 0 0 328.372 2.749 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CO1 ZINC000582493056 324606704 /nfs/dbraw/zinc/60/67/04/324606704.db2.gz QQZCRTKQPNZIOP-NFAWXSAZSA-N 0 0 347.415 2.738 10 5 EFBERN O=c1c([N+](=O)[O-])cc2c(n1Cc1nc3ccccc3o1)CCCC2 ZINC000582665235 324643751 /nfs/dbraw/zinc/64/37/51/324643751.db2.gz XCYMGJJERFQQGO-UHFFFAOYSA-N 0 0 325.324 2.825 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000582759967 324662909 /nfs/dbraw/zinc/66/29/09/324662909.db2.gz SHPHPVBMHOXTMK-UHFFFAOYSA-N 0 0 334.401 2.541 10 5 EFBERN COc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccn1 ZINC000583254570 324772976 /nfs/dbraw/zinc/77/29/76/324772976.db2.gz UBTKDBLPVLEREN-UHFFFAOYSA-N 0 0 328.328 2.589 10 5 EFBERN Cc1cnccc1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583908040 324892820 /nfs/dbraw/zinc/89/28/20/324892820.db2.gz PXTHHRWBGWSOHG-UHFFFAOYSA-N 0 0 338.367 2.681 10 5 EFBERN CC[C@@H](Nc1nc2c(cnn2C)c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000487633617 447835396 /nfs/dbraw/zinc/83/53/96/447835396.db2.gz CVLHYCGMMJAQPD-GFCCVEGCSA-N 0 0 328.332 2.540 10 5 EFBERN COc1ccccc1OCCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611240795 449233418 /nfs/dbraw/zinc/23/34/18/449233418.db2.gz VZXUNRUPALZKPQ-UHFFFAOYSA-N 0 0 343.343 2.527 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NCCOc3ncccc3F)c2c1 ZINC000611710899 449390783 /nfs/dbraw/zinc/39/07/83/449390783.db2.gz HEXIQJVTLXGLLS-UHFFFAOYSA-N 0 0 329.291 2.563 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCc3ccc(OC(F)F)cc3)nn21 ZINC000535759640 468327685 /nfs/dbraw/zinc/32/76/85/468327685.db2.gz KRRYCQFARCEIGD-UHFFFAOYSA-N 0 0 349.297 2.894 10 5 EFBERN CNc1nccc(C(=O)NCC(C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000600164340 468481215 /nfs/dbraw/zinc/48/12/15/468481215.db2.gz IBVGCJQPABNOBB-UHFFFAOYSA-N 0 0 332.404 2.978 10 5 EFBERN CCS[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155448764 472551106 /nfs/dbraw/zinc/55/11/06/472551106.db2.gz BIUPGTOWKCAXRJ-KBPBESRZSA-N 0 0 344.458 2.688 10 5 EFBERN O=C(NCc1ccnc(NC2CC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000095467254 473210320 /nfs/dbraw/zinc/21/03/20/473210320.db2.gz NHNUJFBKLOMLHN-UHFFFAOYSA-N 0 0 327.344 2.886 10 5 EFBERN CC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nccs1 ZINC000161163666 473213005 /nfs/dbraw/zinc/21/30/05/473213005.db2.gz JTVGLONQKAGMCE-KGLIPLIRSA-N 0 0 346.412 2.898 10 5 EFBERN Cc1noc([C@H]2COCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000161167847 473213957 /nfs/dbraw/zinc/21/39/57/473213957.db2.gz HGIRCWUYWGAYFI-CYBMUJFWSA-N 0 0 338.751 2.513 10 5 EFBERN CCCc1n[nH]c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000111647020 473220924 /nfs/dbraw/zinc/22/09/24/473220924.db2.gz MCJPTHDGWPBFAN-CHWSQXEVSA-N 0 0 328.372 2.804 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)COc1ccc([N+](=O)[O-])cc1 ZINC000138872987 473224409 /nfs/dbraw/zinc/22/44/09/473224409.db2.gz MUDOEUYNOMWPTA-UHFFFAOYSA-N 0 0 332.268 2.530 10 5 EFBERN Cc1cc(C(=O)N2CCC(c3ccnn3C)CC2)cc([N+](=O)[O-])c1 ZINC000124305525 473230159 /nfs/dbraw/zinc/23/01/59/473230159.db2.gz WIQZRKGCDFSPKG-UHFFFAOYSA-N 0 0 328.372 2.657 10 5 EFBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111936469 473237379 /nfs/dbraw/zinc/23/73/79/473237379.db2.gz YQXZWYAJBFZLHD-MEDUHNTESA-N 0 0 339.351 2.583 10 5 EFBERN COc1cc(NC2CCN(c3ncccn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000095982707 473241856 /nfs/dbraw/zinc/24/18/56/473241856.db2.gz KTIRXDXRBTZUGO-UHFFFAOYSA-N 0 0 347.350 2.613 10 5 EFBERN O=C(NCc1ccc2c(c1)OCO2)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000161554573 473244064 /nfs/dbraw/zinc/24/40/64/473244064.db2.gz FTOVYCJCXUKTAF-UHFFFAOYSA-N 0 0 339.307 2.735 10 5 EFBERN CC[C@@H](NC(=O)c1cccc2[nH]c(=O)oc21)c1cccc([N+](=O)[O-])c1 ZINC000161572622 473244467 /nfs/dbraw/zinc/24/44/67/473244467.db2.gz AHGRUEZVSPKILU-CYBMUJFWSA-N 0 0 341.323 2.910 10 5 EFBERN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000112257997 473250816 /nfs/dbraw/zinc/25/08/16/473250816.db2.gz CFGIWCAGWAPZSD-KRWDZBQOSA-N 0 0 330.388 2.955 10 5 EFBERN C[C@H](C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000526959231 467650998 /nfs/dbraw/zinc/65/09/98/467650998.db2.gz BUMNWTMMDSYFHZ-HZMBPMFUSA-N 0 0 330.344 2.912 10 5 EFBERN C[C@@H](C(=O)Nc1cc([C@H]2CCCO2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000526959234 467651027 /nfs/dbraw/zinc/65/10/27/467651027.db2.gz BUMNWTMMDSYFHZ-QMTHXVAHSA-N 0 0 330.344 2.912 10 5 EFBERN CCOCCO[C@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161715910 473254593 /nfs/dbraw/zinc/25/45/93/473254593.db2.gz HBWXLURLYWALBU-GFCCVEGCSA-N 0 0 347.371 2.832 10 5 EFBERN COC[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000096010743 473255139 /nfs/dbraw/zinc/25/51/39/473255139.db2.gz FKWFOMLMRIWOAX-QMMMGPOBSA-N 0 0 346.181 2.822 10 5 EFBERN CCOCCO[C@@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161715766 473255268 /nfs/dbraw/zinc/25/52/68/473255268.db2.gz HBWXLURLYWALBU-LBPRGKRZSA-N 0 0 347.371 2.832 10 5 EFBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C12CCCC2 ZINC000176854954 473255855 /nfs/dbraw/zinc/25/58/55/473255855.db2.gz ILPGUTZPAVIUIX-CABCVRRESA-N 0 0 347.415 2.987 10 5 EFBERN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000161766298 473262085 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EFBERN CC(C)c1nnc2n1CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]2C ZINC000190439402 473274817 /nfs/dbraw/zinc/27/48/17/473274817.db2.gz IZZDYBFTXJPPQJ-NSHDSACASA-N 0 0 344.375 2.918 10 5 EFBERN CCOC(=O)c1cc(N2CCC[C@@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000124628699 473276178 /nfs/dbraw/zinc/27/61/78/473276178.db2.gz GMVKFKUTNGPGME-CQSZACIVSA-N 0 0 344.371 2.810 10 5 EFBERN O=C(NC1CCCC1)c1ccc(NCc2cccc([N+](=O)[O-])c2)nn1 ZINC000533213897 468182180 /nfs/dbraw/zinc/18/21/80/468182180.db2.gz JAWDGRGJZXHUOZ-UHFFFAOYSA-N 0 0 341.371 2.669 10 5 EFBERN CNc1nccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)c1[N+](=O)[O-] ZINC000600297310 468525698 /nfs/dbraw/zinc/52/56/98/468525698.db2.gz ABGOFIALMPIWCD-CQSZACIVSA-N 0 0 341.371 2.698 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000124791191 473304823 /nfs/dbraw/zinc/30/48/23/473304823.db2.gz UBNTXLWRJLSBLV-UHFFFAOYSA-N 0 0 332.360 2.896 10 5 EFBERN O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N2CCCC[C@H]12 ZINC000124844901 473313588 /nfs/dbraw/zinc/31/35/88/473313588.db2.gz ZPTQRAKNKSXTSO-CJNGLKHVSA-N 0 0 327.340 2.838 10 5 EFBERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000177160208 473320254 /nfs/dbraw/zinc/32/02/54/473320254.db2.gz PNEUZMFWLDKIBG-OAHLLOKOSA-N 0 0 328.372 2.713 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185084972 473323226 /nfs/dbraw/zinc/32/32/26/473323226.db2.gz ZMDOTNYHMIVSHA-VXGBXAGGSA-N 0 0 342.392 2.853 10 5 EFBERN CCC(=O)N1CC[C@@H](C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000124906990 473324033 /nfs/dbraw/zinc/32/40/33/473324033.db2.gz MOXBDFRRTAZSNN-TZMCWYRMSA-N 0 0 334.372 2.766 10 5 EFBERN CCOC(=O)[C@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171208587 473324144 /nfs/dbraw/zinc/32/41/44/473324144.db2.gz OZRSPTDEKBCGEF-OAHLLOKOSA-N 0 0 345.355 2.634 10 5 EFBERN COC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1[N+](=O)[O-] ZINC000149180747 473325863 /nfs/dbraw/zinc/32/58/63/473325863.db2.gz DDQWDGYFJGEHIF-UHFFFAOYSA-N 0 0 347.323 2.978 10 5 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CCOc1ccc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000122422478 473013234 /nfs/dbraw/zinc/01/32/34/473013234.db2.gz ZAWGPIFDHJSQDL-XJKSGUPXSA-N 0 0 334.372 2.681 10 5 EFBERN Cc1cccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1[N+](=O)[O-] ZINC000135224022 473037380 /nfs/dbraw/zinc/03/73/80/473037380.db2.gz PNPIQTASRALWGY-MRXNPFEDSA-N 0 0 342.351 2.823 10 5 EFBERN O=C(NCc1noc(-c2ccccc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000051290944 473037906 /nfs/dbraw/zinc/03/79/06/473037906.db2.gz UEHUMDSUZIEMKA-UHFFFAOYSA-N 0 0 339.311 2.967 10 5 EFBERN O=C(NCc1noc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000051290873 473038057 /nfs/dbraw/zinc/03/80/57/473038057.db2.gz AYUXSNYNFAGFHE-UHFFFAOYSA-N 0 0 339.311 2.967 10 5 EFBERN COc1cc(OCC(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000066028077 473038366 /nfs/dbraw/zinc/03/83/66/473038366.db2.gz NDIOOHDXMHABCV-LSDHHAIUSA-N 0 0 342.351 2.655 10 5 EFBERN C[C@H]1CCCCCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000074659559 473040518 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Cc1cc(N2CCC[C@H]2c2nncn2CC(C)C)ncc1[N+](=O)[O-] ZINC000074765066 473060216 /nfs/dbraw/zinc/06/02/16/473060216.db2.gz HAHIYMPMHUUMND-ZDUSSCGKSA-N 0 0 330.392 2.887 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)CC2(C)OCCO2)c1 ZINC000080646891 473061718 /nfs/dbraw/zinc/06/17/18/473061718.db2.gz KDAOWTPTDGWREE-SNVBAGLBSA-N 0 0 328.340 2.944 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000080649513 473062350 /nfs/dbraw/zinc/06/23/50/473062350.db2.gz FJJILSNFTLJIES-AWEZNQCLSA-N 0 0 345.403 2.556 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135397697 473065937 /nfs/dbraw/zinc/06/59/37/473065937.db2.gz WQYWIBQBSAQFQJ-INIZCTEOSA-N 0 0 346.314 2.653 10 5 EFBERN Cc1cnn(CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000108948933 473069525 /nfs/dbraw/zinc/06/95/25/473069525.db2.gz IFCVBKIQFILWFW-UHFFFAOYSA-N 0 0 338.371 2.977 10 5 EFBERN Cc1cc(C)n(C[C@@H]2CN(c3c(C)cccc3[N+](=O)[O-])CCO2)n1 ZINC000108950785 473069580 /nfs/dbraw/zinc/06/95/80/473069580.db2.gz ZYJKGNKSMKKFOV-HNNXBMFYSA-N 0 0 330.388 2.622 10 5 EFBERN Cc1cnn(C[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCO2)c1 ZINC000108950331 473069683 /nfs/dbraw/zinc/06/96/83/473069683.db2.gz QNTUFAKJGJOEIH-CYBMUJFWSA-N 0 0 336.779 2.659 10 5 EFBERN COc1cccc2c1CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000159902427 473072163 /nfs/dbraw/zinc/07/21/63/473072163.db2.gz CVAXDOGLGLRNDE-HNNXBMFYSA-N 0 0 327.340 2.724 10 5 EFBERN C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000066333666 473076813 /nfs/dbraw/zinc/07/68/13/473076813.db2.gz XYEGHRLOCQNIMT-SCZZXKLOSA-N 0 0 342.398 2.851 10 5 EFBERN Cc1ccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000135463925 473076808 /nfs/dbraw/zinc/07/68/08/473076808.db2.gz XXQPTKXVFMWKJC-KRWDZBQOSA-N 0 0 342.351 2.823 10 5 EFBERN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000159979019 473077075 /nfs/dbraw/zinc/07/70/75/473077075.db2.gz UYGRRGURRONXFJ-NSHDSACASA-N 0 0 341.414 2.789 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000052167342 473090448 /nfs/dbraw/zinc/09/04/48/473090448.db2.gz IUKQICUBHGBRTM-UHFFFAOYSA-N 0 0 340.339 2.677 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@](C)(O)CCC(C)C ZINC000123146744 473103369 /nfs/dbraw/zinc/10/33/69/473103369.db2.gz MPCBHMKTGRSOOD-MRXNPFEDSA-N 0 0 339.392 2.912 10 5 EFBERN CCCc1n[nH]c(C(=O)NC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000109627162 473113416 /nfs/dbraw/zinc/11/34/16/473113416.db2.gz DJDZSRYLEIJVAT-UHFFFAOYSA-N 0 0 328.372 2.946 10 5 EFBERN CC(C)CO[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])nc2)n1 ZINC000075063533 473119826 /nfs/dbraw/zinc/11/98/26/473119826.db2.gz DMJIJYCFIOYDGP-LLVKDONJSA-N 0 0 335.364 2.743 10 5 EFBERN CC(C)C(=O)N[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000080975405 473120733 /nfs/dbraw/zinc/12/07/33/473120733.db2.gz IFNOGLMXJTVGLT-AWEZNQCLSA-N 0 0 342.399 2.884 10 5 EFBERN C[C@H]1CN(c2cc(CNc3ccc([N+](=O)[O-])cc3)ccn2)CCO1 ZINC000075092151 473122045 /nfs/dbraw/zinc/12/20/45/473122045.db2.gz JEBQMRJJDAAQSH-ZDUSSCGKSA-N 0 0 328.372 2.827 10 5 EFBERN O=C(NCCc1ccc[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000135951022 473122785 /nfs/dbraw/zinc/12/27/85/473122785.db2.gz JDYYOTHBSYYYHZ-UHFFFAOYSA-N 0 0 342.399 2.886 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc[nH]2)cc1SC ZINC000080979220 473122800 /nfs/dbraw/zinc/12/28/00/473122800.db2.gz GEOFYWLCVVHGIY-UHFFFAOYSA-N 0 0 335.385 2.926 10 5 EFBERN COc1cc(N2CCCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000080978637 473122914 /nfs/dbraw/zinc/12/29/14/473122914.db2.gz NWQXSZMFCKAJLA-UHFFFAOYSA-N 0 0 335.404 2.688 10 5 EFBERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000109855183 473131070 /nfs/dbraw/zinc/13/10/70/473131070.db2.gz DOORBNBQZHKRID-AWEZNQCLSA-N 0 0 343.387 2.534 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000109984504 473137498 /nfs/dbraw/zinc/13/74/98/473137498.db2.gz HVFAMHZVZNSAAN-SNVBAGLBSA-N 0 0 341.323 2.829 10 5 EFBERN CCOc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1[N+](=O)[O-] ZINC000052770678 473145360 /nfs/dbraw/zinc/14/53/60/473145360.db2.gz MARMQEAODFEIHU-UHFFFAOYSA-N 0 0 335.341 2.905 10 5 EFBERN COCC(C)(C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000066745113 473147612 /nfs/dbraw/zinc/14/76/12/473147612.db2.gz LMCIHTYIGXCWNR-CYBMUJFWSA-N 0 0 349.431 2.986 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160594876 473148068 /nfs/dbraw/zinc/14/80/68/473148068.db2.gz CTHOVCKYBLQCIK-CYBMUJFWSA-N 0 0 333.388 2.910 10 5 EFBERN CC(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000136337933 473152691 /nfs/dbraw/zinc/15/26/91/473152691.db2.gz LTZGAFODAIHZMA-UHFFFAOYSA-N 0 0 326.418 2.845 10 5 EFBERN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000066812146 473156626 /nfs/dbraw/zinc/15/66/26/473156626.db2.gz VVVWAPWDWHXAQC-ZDUSSCGKSA-N 0 0 345.334 2.529 10 5 EFBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)n1 ZINC000066809733 473156767 /nfs/dbraw/zinc/15/67/67/473156767.db2.gz PGLUMGACJWAONY-CYBMUJFWSA-N 0 0 341.371 2.548 10 5 EFBERN Cc1nn(CCC(=O)NC[C@H]2C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000110440677 473158278 /nfs/dbraw/zinc/15/82/78/473158278.db2.gz VQFHECLADCNRQM-HZPDHXFCSA-N 0 0 342.399 2.718 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110454720 473158533 /nfs/dbraw/zinc/15/85/33/473158533.db2.gz LGMMBWFSAOSJQJ-WMLDXEAASA-N 0 0 326.352 2.894 10 5 EFBERN Cc1c(C(=O)N2C[C@@H](C)CC[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000075277892 473160062 /nfs/dbraw/zinc/16/00/62/473160062.db2.gz NLIYFZCCECEOTK-RYUDHWBXSA-N 0 0 343.387 2.745 10 5 EFBERN Cc1n[nH]c2cc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc12 ZINC000093909329 473162300 /nfs/dbraw/zinc/16/23/00/473162300.db2.gz ZTYPYBSZBZPGHV-UHFFFAOYSA-N 0 0 346.368 2.889 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1 ZINC000123620161 473165631 /nfs/dbraw/zinc/16/56/31/473165631.db2.gz CJOZSDPIFPVOEM-CYBMUJFWSA-N 0 0 334.420 2.675 10 5 EFBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1c(C)nn(C)c1C ZINC000081260342 473169546 /nfs/dbraw/zinc/16/95/46/473169546.db2.gz URXFRBGWXAOZFL-ZDUSSCGKSA-N 0 0 346.387 2.835 10 5 EFBERN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000081261783 473170885 /nfs/dbraw/zinc/17/08/85/473170885.db2.gz FKHINPISDMUQRK-OAHLLOKOSA-N 0 0 346.387 2.591 10 5 EFBERN CC[C@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000081265365 473172110 /nfs/dbraw/zinc/17/21/10/473172110.db2.gz NBIRBCRACBHWJN-ZDUSSCGKSA-N 0 0 346.387 2.835 10 5 EFBERN Cc1cccn2cc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)nc12 ZINC000110798507 473176443 /nfs/dbraw/zinc/17/64/43/473176443.db2.gz YIUDKQYIVIELBL-UHFFFAOYSA-N 0 0 349.350 2.962 10 5 EFBERN COC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000075366952 473177026 /nfs/dbraw/zinc/17/70/26/473177026.db2.gz SSMABXAWBLWYRN-INIZCTEOSA-N 0 0 332.331 2.780 10 5 EFBERN CN(CCC1CCOCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000137032623 473191581 /nfs/dbraw/zinc/19/15/81/473191581.db2.gz NROGSVSPDRPBDZ-UHFFFAOYSA-N 0 0 331.372 2.965 10 5 EFBERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000137284165 473202117 /nfs/dbraw/zinc/20/21/17/473202117.db2.gz VENNINQYYOKXQZ-JTQLQIEISA-N 0 0 345.403 2.928 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000137339893 473203882 /nfs/dbraw/zinc/20/38/82/473203882.db2.gz YKKAPTVCPKUYDX-ZYHUDNBSSA-N 0 0 331.376 2.618 10 5 EFBERN CC[C@H](N[C@@H]1CCCn2nc(COC)nc21)c1cccc([N+](=O)[O-])c1 ZINC000125326066 473395174 /nfs/dbraw/zinc/39/51/74/473395174.db2.gz UWIDZVPBFRAWKK-LSDHHAIUSA-N 0 0 345.403 2.909 10 5 EFBERN Cc1sc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)cc1[N+](=O)[O-] ZINC000151052354 473401908 /nfs/dbraw/zinc/40/19/08/473401908.db2.gz LCQUFRIXFKLOAP-UHFFFAOYSA-N 0 0 345.380 2.845 10 5 EFBERN Cc1ccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c(C)n1 ZINC000185361735 473405491 /nfs/dbraw/zinc/40/54/91/473405491.db2.gz WSAKRNMLFXUAAX-UHFFFAOYSA-N 0 0 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CC(=O)N1CCC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291981022 474785172 /nfs/dbraw/zinc/78/51/72/474785172.db2.gz PUBGDVNRHVQUBM-CYBMUJFWSA-N 0 0 328.372 2.813 10 5 EFBERN CC[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000278709386 474787738 /nfs/dbraw/zinc/78/77/38/474787738.db2.gz QSXVFOWKHWWEJB-LBPRGKRZSA-N 0 0 341.358 2.705 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(nn1C)CCC2 ZINC000273224778 474787852 /nfs/dbraw/zinc/78/78/52/474787852.db2.gz CIPAHOGCCFYEMN-ZHACJKMWSA-N 0 0 326.356 2.859 10 5 EFBERN CC(C)(CCc1noc(-c2ccc3c(c2)NC(=O)C3(C)C)n1)[N+](=O)[O-] ZINC000293066183 474794502 /nfs/dbraw/zinc/79/45/02/474794502.db2.gz AOFSCXYVWPCPAT-UHFFFAOYSA-N 0 0 344.371 2.954 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CO)CC1 ZINC000340939996 474798011 /nfs/dbraw/zinc/79/80/11/474798011.db2.gz OHYJWFFLJWXYIS-NSHDSACASA-N 0 0 326.780 2.791 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CO)CC1 ZINC000340939992 474798265 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Cc1nn(C)c(C)c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339058849 474889334 /nfs/dbraw/zinc/88/93/34/474889334.db2.gz XDKKPPPQSXFFEF-UHFFFAOYSA-N 0 0 342.355 2.664 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000292190715 474895430 /nfs/dbraw/zinc/89/54/30/474895430.db2.gz BALHVIOZOCBBTB-BDAKNGLRSA-N 0 0 349.309 2.836 10 5 EFBERN Cc1nc(CN(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)no1 ZINC000339075425 474904592 /nfs/dbraw/zinc/90/45/92/474904592.db2.gz GRQBHUKTAZLDRA-UHFFFAOYSA-N 0 0 330.266 2.937 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000278933542 474926104 /nfs/dbraw/zinc/92/61/04/474926104.db2.gz VJIBGVSGOKWSJN-UHFFFAOYSA-N 0 0 349.387 2.668 10 5 EFBERN CNc1c(C(=O)N2CCCC[C@@H](CCOC)C2)cccc1[N+](=O)[O-] ZINC000345167241 474953853 /nfs/dbraw/zinc/95/38/53/474953853.db2.gz TWILBDNYWKXUQE-ZDUSSCGKSA-N 0 0 335.404 2.915 10 5 EFBERN O=C(NOC[C@H]1CCOC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278994202 474954338 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COC(=O)c1cc(NCCNc2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000268494288 475012785 /nfs/dbraw/zinc/01/27/85/475012785.db2.gz PRABQUYVRYEKDT-UHFFFAOYSA-N 0 0 330.344 2.609 10 5 EFBERN Cn1c(C(=O)NCc2cc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000339193190 475023340 /nfs/dbraw/zinc/02/33/40/475023340.db2.gz AMGGRSBOSKQYEA-UHFFFAOYSA-N 0 0 326.312 2.518 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292433470 475024704 /nfs/dbraw/zinc/02/47/04/475024704.db2.gz WGBDTHDHKKGXON-QWHCGFSZSA-N 0 0 346.355 2.569 10 5 EFBERN Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1-c1ccncc1 ZINC000341412391 475048585 /nfs/dbraw/zinc/04/85/85/475048585.db2.gz ZNQHXOARWWQQES-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccnc1N1CCCCC1 ZINC000339216400 475049332 /nfs/dbraw/zinc/04/93/32/475049332.db2.gz JXVSWFAZTSPTMO-UHFFFAOYSA-N 0 0 341.371 2.936 10 5 EFBERN COc1ccc(NC(C)=O)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000339219992 475052543 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CSc1ccc(C(=O)NCCc2ncccc2C)cc1[N+](=O)[O-] ZINC000295991651 475157473 /nfs/dbraw/zinc/15/74/73/475157473.db2.gz KBRFBKWKNGTWMV-UHFFFAOYSA-N 0 0 331.397 2.993 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NCc1cc(-c2cnn(C)c2)no1 ZINC000281319674 475168611 /nfs/dbraw/zinc/16/86/11/475168611.db2.gz VBBPMARFQQKOCM-UHFFFAOYSA-N 0 0 343.343 2.994 10 5 EFBERN CCC(=O)c1ccc(N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)c([N+](=O)[O-])c1 ZINC000281367659 475188799 /nfs/dbraw/zinc/18/87/99/475188799.db2.gz DJUVLZHWCBCPDF-OGHNNQOOSA-N 0 0 346.383 2.965 10 5 EFBERN Cc1cc(OCC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292769238 475190449 /nfs/dbraw/zinc/19/04/49/475190449.db2.gz ISVCOIFSUUNSPP-DZGCQCFKSA-N 0 0 340.326 2.786 10 5 EFBERN Cn1cc([C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000345461743 475204851 /nfs/dbraw/zinc/20/48/51/475204851.db2.gz QRSONIKXBXPDSJ-MRXNPFEDSA-N 0 0 346.387 2.611 10 5 EFBERN O=C1CC[C@@H](COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000296168963 475214328 /nfs/dbraw/zinc/21/43/28/475214328.db2.gz ZGERIAVDRIOMSE-SECBINFHSA-N 0 0 332.278 2.909 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000296197061 475221244 /nfs/dbraw/zinc/22/12/44/475221244.db2.gz TXTCDBXCWNXYSN-ONGXEEELSA-N 0 0 348.325 2.679 10 5 EFBERN Cc1cc(C(=O)NCC[C@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000361157546 475229534 /nfs/dbraw/zinc/22/95/34/475229534.db2.gz XKJLKFMHZRXBCD-HNNXBMFYSA-N 0 0 342.351 2.863 10 5 EFBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000296229347 475231728 /nfs/dbraw/zinc/23/17/28/475231728.db2.gz XETAEQIBJCDFJR-IUODEOHRSA-N 0 0 342.417 2.709 10 5 EFBERN COc1ccccc1NC(=O)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000354538692 475231773 /nfs/dbraw/zinc/23/17/73/475231773.db2.gz FYRORZIXJWLABA-UHFFFAOYSA-N 0 0 331.328 2.633 10 5 EFBERN O=C(NCC[C@@H]1COc2ccccc2O1)c1ccccc1[N+](=O)[O-] ZINC000361163863 475234560 /nfs/dbraw/zinc/23/45/60/475234560.db2.gz MMPYJHMUSVKQJP-GFCCVEGCSA-N 0 0 328.324 2.555 10 5 EFBERN O=C(NCC[C@@H]1COc2ccccc2O1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361163899 475234612 /nfs/dbraw/zinc/23/46/12/475234612.db2.gz CLOGFTCYNXFAIG-CQSZACIVSA-N 0 0 346.314 2.694 10 5 EFBERN O=C(NCC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1F ZINC000361164509 475237102 /nfs/dbraw/zinc/23/71/02/475237102.db2.gz GCZRZJRMXVZJSY-LBPRGKRZSA-N 0 0 346.314 2.694 10 5 EFBERN Cc1cccc(C(=O)NCC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000361164965 475237359 /nfs/dbraw/zinc/23/73/59/475237359.db2.gz HQHUAJFORKNQCM-CYBMUJFWSA-N 0 0 342.351 2.863 10 5 EFBERN COc1ccc(NC(=O)c2cc3c(cc2OC)OCO3)c([N+](=O)[O-])c1 ZINC000352386316 475242738 /nfs/dbraw/zinc/24/27/38/475242738.db2.gz VYEQJZMBYOQWNG-UHFFFAOYSA-N 0 0 346.295 2.593 10 5 EFBERN CC(C)(CCc1nc(-c2cc(=O)[nH]c3ccccc32)no1)[N+](=O)[O-] ZINC000296257141 475242953 /nfs/dbraw/zinc/24/29/53/475242953.db2.gz BIVSOKHRRJGHPC-UHFFFAOYSA-N 0 0 328.328 2.978 10 5 EFBERN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000357900176 475243769 /nfs/dbraw/zinc/24/37/69/475243769.db2.gz ULZZTPUNRCBWLU-SSDOTTSWSA-N 0 0 326.715 2.612 10 5 EFBERN O=[N+]([O-])c1ccccc1Cc1noc(-c2cc(-n3ccnc3)ccn2)n1 ZINC000345532730 475246773 /nfs/dbraw/zinc/24/67/73/475246773.db2.gz HTASBEKPPDCLPP-UHFFFAOYSA-N 0 0 348.322 2.816 10 5 EFBERN COCCOc1ncccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000341723006 475252565 /nfs/dbraw/zinc/25/25/65/475252565.db2.gz SCHGSLHVSYIHKH-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN Cn1nccc1COCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341723308 475252766 /nfs/dbraw/zinc/25/27/66/475252766.db2.gz GXFKALXZNJLYMH-UHFFFAOYSA-N 0 0 346.387 2.781 10 5 EFBERN C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341725969 475254186 /nfs/dbraw/zinc/25/41/86/475254186.db2.gz CQAWJUNCGFDDTK-WRWORJQWSA-N 0 0 329.150 2.721 10 5 EFBERN C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000341725966 475253498 /nfs/dbraw/zinc/25/34/98/475253498.db2.gz CQAWJUNCGFDDTK-CPCISQLKSA-N 0 0 329.150 2.721 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCCc2csc3ccccc23)n1 ZINC000357918540 475260643 /nfs/dbraw/zinc/26/06/43/475260643.db2.gz ZWXOGAJAHXSLIP-UHFFFAOYSA-N 0 0 330.369 2.516 10 5 EFBERN CC(C)[C@@H]1C[C@@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000296310153 475262605 /nfs/dbraw/zinc/26/26/05/475262605.db2.gz FCOBZHAYDSTVSP-RYUDHWBXSA-N 0 0 340.343 2.985 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(Cc2nccn2C)CC1 ZINC000352406506 475263174 /nfs/dbraw/zinc/26/31/74/475263174.db2.gz QENRUPGQBCMKAZ-OAHLLOKOSA-N 0 0 343.431 2.516 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000296309261 475263137 /nfs/dbraw/zinc/26/31/37/475263137.db2.gz AGEVYSBVWJZSIK-JQWIXIFHSA-N 0 0 331.376 2.618 10 5 EFBERN CC[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000352412835 475268285 /nfs/dbraw/zinc/26/82/85/475268285.db2.gz JJPDDRLJACTNPU-BLLLJJGKSA-N 0 0 342.342 2.643 10 5 EFBERN CC[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000352412838 475268937 /nfs/dbraw/zinc/26/89/37/475268937.db2.gz JJPDDRLJACTNPU-WBMJQRKESA-N 0 0 342.342 2.643 10 5 EFBERN COc1ccc([C@H](CO)N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000352415315 475272426 /nfs/dbraw/zinc/27/24/26/475272426.db2.gz AKEIMDITVZFBSL-KRWDZBQOSA-N 0 0 346.383 2.777 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(c3ccccc3F)C2)c1 ZINC000361219726 475279520 /nfs/dbraw/zinc/27/95/20/475279520.db2.gz GNBHNSPMHLZKLX-UHFFFAOYSA-N 0 0 330.315 2.982 10 5 EFBERN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC(c2ccccc2F)C1 ZINC000361223951 475282651 /nfs/dbraw/zinc/28/26/51/475282651.db2.gz HCHHTDJMCYKGKG-UHFFFAOYSA-N 0 0 344.298 2.702 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc2ccccc2s1 ZINC000357950022 475285038 /nfs/dbraw/zinc/28/50/38/475285038.db2.gz VHBOKSNICGGTBL-UHFFFAOYSA-N 0 0 328.353 2.916 10 5 EFBERN CCc1ccc2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2c1 ZINC000357955140 475290548 /nfs/dbraw/zinc/29/05/48/475290548.db2.gz NFFYDDJYPRNIFC-UHFFFAOYSA-N 0 0 331.357 2.753 10 5 EFBERN Cc1cc(-c2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)c(C)o1 ZINC000357955792 475290834 /nfs/dbraw/zinc/29/08/34/475290834.db2.gz SKGJHAXMXNWQED-UHFFFAOYSA-N 0 0 347.356 2.914 10 5 EFBERN Cc1ncc(-c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)o1 ZINC000357956387 475291169 /nfs/dbraw/zinc/29/11/69/475291169.db2.gz WSDSOCLYRZPGQR-UHFFFAOYSA-N 0 0 327.300 2.544 10 5 EFBERN COCC(C)(C)CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000345598366 475294331 /nfs/dbraw/zinc/29/43/31/475294331.db2.gz YNHIJTMUKNYKSS-UHFFFAOYSA-N 0 0 344.358 2.985 10 5 EFBERN CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361239502 475295745 /nfs/dbraw/zinc/29/57/45/475295745.db2.gz VASVBSRFPBVLNJ-NSHDSACASA-N 0 0 346.330 2.816 10 5 EFBERN Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354623264 475298059 /nfs/dbraw/zinc/29/80/59/475298059.db2.gz LTWHYCIRKVCQPM-HNNXBMFYSA-N 0 0 348.380 2.624 10 5 EFBERN O=C(NCC1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000345605189 475300185 /nfs/dbraw/zinc/30/01/85/475300185.db2.gz QWGDBFAHHKABMS-UHFFFAOYSA-N 0 0 328.372 2.569 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)c2ccc(C(N)=O)cn2)cc1[N+](=O)[O-] ZINC000341785530 475301072 /nfs/dbraw/zinc/30/10/72/475301072.db2.gz YHABKAPKDRFFNN-UHFFFAOYSA-N 0 0 342.355 2.639 10 5 EFBERN COc1cccc(N2C[C@@H](Nc3ncc(C)cc3[N+](=O)[O-])CC2=O)c1 ZINC000361264519 475314121 /nfs/dbraw/zinc/31/41/21/475314121.db2.gz ZIQVQLPKJURCLJ-LBPRGKRZSA-N 0 0 342.355 2.524 10 5 EFBERN COC(=O)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000361270201 475316944 /nfs/dbraw/zinc/31/69/44/475316944.db2.gz CTGCQRZXNSMNKT-CYBMUJFWSA-N 0 0 347.346 2.881 10 5 EFBERN CCOC(=O)CC1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000345628665 475318069 /nfs/dbraw/zinc/31/80/69/475318069.db2.gz RSBQFVFEEYZTPM-UHFFFAOYSA-N 0 0 348.399 2.910 10 5 EFBERN CCc1c(NC(=O)c2nn(C)cc2[N+](=O)[O-])cnn1C(CC)CC ZINC000361276652 475320603 /nfs/dbraw/zinc/32/06/03/475320603.db2.gz LNMDJYCJUKFXAN-UHFFFAOYSA-N 0 0 334.380 2.701 10 5 EFBERN COc1ccccc1[C@@H](C)Sc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000361280662 475323788 /nfs/dbraw/zinc/32/37/88/475323788.db2.gz LALCKBJLTCBNRC-SECBINFHSA-N 0 0 333.369 2.951 10 5 EFBERN C[C@]1(O)CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000352471778 475327397 /nfs/dbraw/zinc/32/73/97/475327397.db2.gz XWNNHJRJAFQVBB-HNNXBMFYSA-N 0 0 344.314 2.573 10 5 EFBERN COc1ccc(CNC(=O)N2CCC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000296481383 475336135 /nfs/dbraw/zinc/33/61/35/475336135.db2.gz XLLCMIRUACQLHN-HNNXBMFYSA-N 0 0 325.340 2.637 10 5 EFBERN CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)OC(C)(C)C ZINC000352493708 475346927 /nfs/dbraw/zinc/34/69/27/475346927.db2.gz UNHUWWRFHNGNES-NSHDSACASA-N 0 0 325.365 2.553 10 5 EFBERN CC(C)c1nnc2c(N(C)CCc3cccc([N+](=O)[O-])c3)nccn21 ZINC000337828761 475359186 /nfs/dbraw/zinc/35/91/86/475359186.db2.gz UVGISCDSYLWYKN-UHFFFAOYSA-N 0 0 340.387 2.835 10 5 EFBERN Cc1[nH]nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000345678671 475360690 /nfs/dbraw/zinc/36/06/90/475360690.db2.gz BITZMSZFMHPAFV-HNNXBMFYSA-N 0 0 332.385 2.823 10 5 EFBERN COc1cc2c(cc1F)CC[C@@H]2Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000337840397 475367698 /nfs/dbraw/zinc/36/76/98/475367698.db2.gz ZCPOXROSZTWCIY-ZDUSSCGKSA-N 0 0 345.330 2.941 10 5 EFBERN Cc1nc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000348087895 475374954 /nfs/dbraw/zinc/37/49/54/475374954.db2.gz WXYAFRNYAWCQOL-SNVBAGLBSA-N 0 0 344.375 2.510 10 5 EFBERN CC1(C)C[C@@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000296568719 475375478 /nfs/dbraw/zinc/37/54/78/475375478.db2.gz UXIRUUROQMERSE-SNVBAGLBSA-N 0 0 326.316 2.739 10 5 EFBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354743512 475375679 /nfs/dbraw/zinc/37/56/79/475375679.db2.gz WANJUKXFIDYWFE-YJBOKZPZSA-N 0 0 341.367 2.646 10 5 EFBERN COc1cc(CN2CCC(N3CCCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000352526564 475380605 /nfs/dbraw/zinc/38/06/05/475380605.db2.gz PAXWDVKFNCHXOK-UHFFFAOYSA-N 0 0 347.415 2.580 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)s1 ZINC000337864704 475389727 /nfs/dbraw/zinc/38/97/27/475389727.db2.gz NQCPAPWSBRQKLB-UHFFFAOYSA-N 0 0 328.346 2.547 10 5 EFBERN O=C(NCc1ccc(CO)c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000339668655 475392930 /nfs/dbraw/zinc/39/29/30/475392930.db2.gz ARSGRFMOUMXRJR-UHFFFAOYSA-N 0 0 338.722 2.810 10 5 EFBERN COc1cc(CN2CCN(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000352545259 475398545 /nfs/dbraw/zinc/39/85/45/475398545.db2.gz HUPJDKNHGNCOLJ-UHFFFAOYSA-N 0 0 333.413 2.987 10 5 EFBERN C[C@@H](C(=O)Nc1ncn(C(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000348123205 475408308 /nfs/dbraw/zinc/40/83/08/475408308.db2.gz VDGHHSSKFKFMTP-SECBINFHSA-N 0 0 335.339 2.823 10 5 EFBERN C[C@@H](NC(=O)N[C@@H](CO)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000341927857 475420348 /nfs/dbraw/zinc/42/03/48/475420348.db2.gz XDDRAYCUVVVNBX-ABAIWWIYSA-N 0 0 347.346 2.828 10 5 EFBERN CN1C[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000352568448 475420589 /nfs/dbraw/zinc/42/05/89/475420589.db2.gz ZOGSCDNPWLZRDQ-CRAIPNDOSA-N 0 0 325.368 2.505 10 5 EFBERN CCN(CC)C(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000341931249 475423785 /nfs/dbraw/zinc/42/37/85/475423785.db2.gz JNWLRZPRGXVZFZ-UHFFFAOYSA-N 0 0 347.415 2.882 10 5 EFBERN COC(=O)c1cnc(N2CCc3cc(F)c(F)cc32)c([N+](=O)[O-])c1 ZINC000358130803 475424903 /nfs/dbraw/zinc/42/49/03/475424903.db2.gz UOQMRFPSHAQLQB-UHFFFAOYSA-N 0 0 335.266 2.749 10 5 EFBERN Cc1cc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000341933660 475426285 /nfs/dbraw/zinc/42/62/85/475426285.db2.gz HXSVJQVRSVWFJU-CYBMUJFWSA-N 0 0 326.352 2.833 10 5 EFBERN C[C@@]1(c2ccccc2)NC(=O)N(Cc2c(F)cccc2[N+](=O)[O-])C1=O ZINC000337913095 475427575 /nfs/dbraw/zinc/42/75/75/475427575.db2.gz LFVCDKVELTWRSU-KRWDZBQOSA-N 0 0 343.314 2.701 10 5 EFBERN O=C(CSc1cccc([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000337920657 475433469 /nfs/dbraw/zinc/43/34/69/475433469.db2.gz ZETOOCHDDDYVIN-LSDHHAIUSA-N 0 0 336.413 2.857 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000361427877 475441914 /nfs/dbraw/zinc/44/19/14/475441914.db2.gz GHBQKCYDJPAPHG-INIZCTEOSA-N 0 0 346.770 2.911 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nccn1CC ZINC000296718476 475444639 /nfs/dbraw/zinc/44/46/39/475444639.db2.gz LULXCZDHCJTABI-UHFFFAOYSA-N 0 0 333.348 2.532 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000337935820 475445847 /nfs/dbraw/zinc/44/58/47/475445847.db2.gz LULBVLRYQWWCRW-UHFFFAOYSA-N 0 0 336.369 2.737 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000341953962 475446293 /nfs/dbraw/zinc/44/62/93/475446293.db2.gz WRFJCHUHYATXRL-UHFFFAOYSA-N 0 0 349.350 2.640 10 5 EFBERN CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H](O)C(F)F ZINC000296804073 475483996 /nfs/dbraw/zinc/48/39/96/475483996.db2.gz QZEKTEWJXCDOIZ-QUBYGPBYSA-N 0 0 337.710 2.774 10 5 EFBERN COc1ccc(-c2ccc(CNCc3ccn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000345828232 475487627 /nfs/dbraw/zinc/48/76/27/475487627.db2.gz IMRDVZBHTJZEOL-UHFFFAOYSA-N 0 0 342.355 2.887 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000358224222 475506631 /nfs/dbraw/zinc/50/66/31/475506631.db2.gz ASUUMRBHKRSFAY-UHFFFAOYSA-N 0 0 346.383 2.795 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c2c(n1)CCCC2 ZINC000342027259 475515419 /nfs/dbraw/zinc/51/54/19/475515419.db2.gz SQCPDXGUTHEZFA-UHFFFAOYSA-N 0 0 327.344 2.528 10 5 EFBERN Cc1nn(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000354920851 475521613 /nfs/dbraw/zinc/52/16/13/475521613.db2.gz OOPMAJXCYAERMC-CQSZACIVSA-N 0 0 342.399 2.927 10 5 EFBERN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000339810133 475521596 /nfs/dbraw/zinc/52/15/96/475521596.db2.gz DEMRIMDGQADPFT-BDAKNGLRSA-N 0 0 338.751 2.616 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000342041216 475526040 /nfs/dbraw/zinc/52/60/40/475526040.db2.gz DNWHMONTOOAVBF-NSHDSACASA-N 0 0 346.387 2.850 10 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O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000372223947 477702047 /nfs/dbraw/zinc/70/20/47/477702047.db2.gz NKMNPLYPQCUXJT-GFCCVEGCSA-N 0 0 347.758 2.937 10 5 EFBERN CN(C)c1nccc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000450769048 477710986 /nfs/dbraw/zinc/71/09/86/477710986.db2.gz VSKILNSYHRKAOM-AWEZNQCLSA-N 0 0 327.388 2.835 10 5 EFBERN CC1(C)[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H]2CCCO[C@H]21 ZINC000367839578 477712539 /nfs/dbraw/zinc/71/25/39/477712539.db2.gz BJUIOFQYSWOFSU-ZLKJLUDKSA-N 0 0 344.371 2.859 10 5 EFBERN COC[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000413534157 477718519 /nfs/dbraw/zinc/71/85/19/477718519.db2.gz OYBFMQQOALAJCW-OUCADQQQSA-N 0 0 346.305 2.782 10 5 EFBERN CC(C)C1(c2ccccc2)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000413552053 477725942 /nfs/dbraw/zinc/72/59/42/477725942.db2.gz KQRIAMBAFHXRME-UHFFFAOYSA-N 0 0 340.383 2.503 10 5 EFBERN CCc1ncc(CNc2ncc([N+](=O)[O-])c(C)c2Br)o1 ZINC000450850784 477736570 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2.572 10 5 EFBERN CC[C@H](NC(=O)[C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000372326009 477757553 /nfs/dbraw/zinc/75/75/53/477757553.db2.gz MTFPTOJFGJUXIM-ZFWWWQNUSA-N 0 0 328.372 2.621 10 5 EFBERN COC[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000450943724 477768818 /nfs/dbraw/zinc/76/88/18/477768818.db2.gz IRDRIBNXPMMMEB-ZDUSSCGKSA-N 0 0 336.388 2.943 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCO[C@H](c3nccn3C)C2)n1 ZINC000450948339 477770434 /nfs/dbraw/zinc/77/04/34/477770434.db2.gz FMGCJIIJGDDORP-OLZOCXBDSA-N 0 0 331.376 2.672 10 5 EFBERN Cn1ccnc1[C@@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000450947131 477771268 /nfs/dbraw/zinc/77/12/68/477771268.db2.gz BFEORQNDWXOUJU-JQWIXIFHSA-N 0 0 337.767 2.709 10 5 EFBERN O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000413668501 477771935 /nfs/dbraw/zinc/77/19/35/477771935.db2.gz LKPGDMWETLQAII-MAUKXSAKSA-N 0 0 341.342 2.759 10 5 EFBERN O=C([C@H]1C[C@]1(F)c1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 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333.388 2.553 10 5 EFBERN CC(C)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(F)F ZINC000451234391 477894527 /nfs/dbraw/zinc/89/45/27/477894527.db2.gz DBMSWJRNWADCNG-UHFFFAOYSA-N 0 0 330.335 2.636 10 5 EFBERN CN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCSC1 ZINC000558641450 477902621 /nfs/dbraw/zinc/90/26/21/477902621.db2.gz ZVDRDDPREDWCSJ-ZDUSSCGKSA-N 0 0 348.428 2.766 10 5 EFBERN CC(C)c1cccc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000438997833 477918171 /nfs/dbraw/zinc/91/81/71/477918171.db2.gz HQSUZCPCECMSAM-UHFFFAOYSA-N 0 0 335.385 2.938 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000421031490 477920817 /nfs/dbraw/zinc/92/08/17/477920817.db2.gz KPFZQLYGYHFRHC-LBPRGKRZSA-N 0 0 335.360 2.515 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000439112033 477931339 /nfs/dbraw/zinc/93/13/39/477931339.db2.gz AVGHDHDQDIFZBP-AWEZNQCLSA-N 0 0 347.758 2.513 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000439112034 477931676 /nfs/dbraw/zinc/93/16/76/477931676.db2.gz AVGHDHDQDIFZBP-CQSZACIVSA-N 0 0 347.758 2.513 10 5 EFBERN COC(=O)[C@@](C)(NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000463438774 477933752 /nfs/dbraw/zinc/93/37/52/477933752.db2.gz ZVXVJWDYMVWQAQ-KRWDZBQOSA-N 0 0 332.331 2.912 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2cc(Br)ccc21 ZINC000532514750 477940415 /nfs/dbraw/zinc/94/04/15/477940415.db2.gz BRRROZZYZMWVLV-UHFFFAOYSA-N 0 0 348.156 2.955 10 5 EFBERN CC(C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464214087 477945972 /nfs/dbraw/zinc/94/59/72/477945972.db2.gz YSZLRWBRGDIMFD-LBPRGKRZSA-N 0 0 349.412 2.810 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439255798 477950584 /nfs/dbraw/zinc/95/05/84/477950584.db2.gz CIBGEOSKMNFHTL-HUUCEWRRSA-N 0 0 348.399 2.882 10 5 EFBERN CCCc1ncc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000456485848 477951994 /nfs/dbraw/zinc/95/19/94/477951994.db2.gz BPSQMMUMXDNZGJ-UHFFFAOYSA-N 0 0 345.355 2.815 10 5 EFBERN CCCc1ncc(CNC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)o1 ZINC000456497294 477955035 /nfs/dbraw/zinc/95/50/35/477955035.db2.gz AEHQGTPMCLCMBO-UHFFFAOYSA-N 0 0 333.344 2.864 10 5 EFBERN CN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])nc1 ZINC000439283269 477957746 /nfs/dbraw/zinc/95/77/46/477957746.db2.gz JSAUREWIGUQJSZ-LBPRGKRZSA-N 0 0 327.340 2.909 10 5 EFBERN O=[N+]([O-])c1sc(NC2CC(F)(F)C2)nc1NC1CC(F)(F)C1 ZINC000428684679 477959167 /nfs/dbraw/zinc/95/91/67/477959167.db2.gz VXNFNSGJGUAAJG-UHFFFAOYSA-N 0 0 340.302 2.892 10 5 EFBERN CCc1ncc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000456518791 477961892 /nfs/dbraw/zinc/96/18/92/477961892.db2.gz LVZYALLOKBLMJY-SNVBAGLBSA-N 0 0 335.385 2.942 10 5 EFBERN CCOc1ccc(C(=O)NCc2ccc(O)c(OC)c2)cc1[N+](=O)[O-] ZINC000532683718 477970989 /nfs/dbraw/zinc/97/09/89/477970989.db2.gz KLNNOITUNFJSDS-UHFFFAOYSA-N 0 0 346.339 2.638 10 5 EFBERN CC1(C)COC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000456543835 477975878 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EFBERN CO[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000597659007 478451765 /nfs/dbraw/zinc/45/17/65/478451765.db2.gz KFCLHXOFEOTNKL-QGZVFWFLSA-N 0 0 345.399 2.940 10 5 EFBERN COc1cc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000594591823 478451936 /nfs/dbraw/zinc/45/19/36/478451936.db2.gz MKFRUJUGUPTHHN-SDDRHHMPSA-N 0 0 341.383 2.652 10 5 EFBERN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCCCO1 ZINC000594598017 478457308 /nfs/dbraw/zinc/45/73/08/478457308.db2.gz FXOCOZXRHAMIKF-TZMCWYRMSA-N 0 0 342.417 2.758 10 5 EFBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCCCO1 ZINC000594598014 478457784 /nfs/dbraw/zinc/45/77/84/478457784.db2.gz FXOCOZXRHAMIKF-GXTWGEPZSA-N 0 0 342.417 2.758 10 5 EFBERN NC(=O)c1ccc(N[C@H](C[C@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000594599184 478457792 /nfs/dbraw/zinc/45/77/92/478457792.db2.gz DRKPKKUMKVIIRR-BXKDBHETSA-N 0 0 347.293 2.606 10 5 EFBERN CCCN(CCC)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000563136002 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EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCOc2ncccc2C1 ZINC000591209108 478491155 /nfs/dbraw/zinc/49/11/55/478491155.db2.gz OUULKSPCTPJDRM-JKSUJKDBSA-N 0 0 339.351 2.515 10 5 EFBERN COCC1(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000570967994 478492666 /nfs/dbraw/zinc/49/26/66/478492666.db2.gz LGIVODNMFAORLH-UHFFFAOYSA-N 0 0 344.314 2.743 10 5 EFBERN CCN1CC[C@H](Nc2cc(Br)cc([N+](=O)[O-])c2C)C1=O ZINC000594708322 478506530 /nfs/dbraw/zinc/50/65/30/478506530.db2.gz SRJFUONYDQFPOF-JTQLQIEISA-N 0 0 342.193 2.698 10 5 EFBERN C[C@]12CCCC[C@H]1CN2C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600762038 478508026 /nfs/dbraw/zinc/50/80/26/478508026.db2.gz VHOKRXWFKSGUJS-SJCJKPOMSA-N 0 0 346.387 2.507 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(Cc2cccs2)C1 ZINC000600762141 478508351 /nfs/dbraw/zinc/50/83/51/478508351.db2.gz DTUUYNWQVVYSSA-UHFFFAOYSA-N 0 0 332.381 2.736 10 5 EFBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000540929971 478511631 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COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)cc1F ZINC000600777791 478516215 /nfs/dbraw/zinc/51/62/15/478516215.db2.gz XSUAILSFJZZAFN-GFCCVEGCSA-N 0 0 347.346 2.711 10 5 EFBERN Cc1cc(C2(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CCOCC2)on1 ZINC000600776862 478516490 /nfs/dbraw/zinc/51/64/90/478516490.db2.gz RYBRUOLRSPWZJB-UHFFFAOYSA-N 0 0 345.355 2.635 10 5 EFBERN Cc1c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000594734245 478520375 /nfs/dbraw/zinc/52/03/75/478520375.db2.gz UJOWTVXAWMFLAV-NEPJUHHUSA-N 0 0 346.305 2.988 10 5 EFBERN Cc1cc(NC[C@H](CC(=O)[O-])C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000594736795 478521432 /nfs/dbraw/zinc/52/14/32/478521432.db2.gz VJIOIARFMVXPIU-LBPRGKRZSA-N 0 0 329.356 2.786 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](F)C2)c(C)cc1[N+](=O)[O-] ZINC000591327857 478523393 /nfs/dbraw/zinc/52/33/93/478523393.db2.gz UCHMEAZZTQUNSL-JOYOIKCWSA-N 0 0 330.381 2.580 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(NC[C@@H]3CCCO3)nc2)c1 ZINC000600794350 478525011 /nfs/dbraw/zinc/52/50/11/478525011.db2.gz SSFXWVWNLJPMGM-INIZCTEOSA-N 0 0 343.383 2.783 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC3(CCC3)CC2)s1 ZINC000591331403 478525303 /nfs/dbraw/zinc/52/53/03/478525303.db2.gz MUQGWBBOCXYSQI-UHFFFAOYSA-N 0 0 348.471 2.707 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C2CCC2)CCC1 ZINC000591330705 478525433 /nfs/dbraw/zinc/52/54/33/478525433.db2.gz YAZKTNMFEOKOKY-UHFFFAOYSA-N 0 0 340.401 2.605 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H]1c1ccccc1 ZINC000594741774 478525448 /nfs/dbraw/zinc/52/54/48/478525448.db2.gz GDBRDHDGGDTMIE-ZDUSSCGKSA-N 0 0 333.369 2.516 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000594742773 478526467 /nfs/dbraw/zinc/52/64/67/478526467.db2.gz AJLMZQBZRYJSTH-CYBMUJFWSA-N 0 0 335.385 2.728 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC3=O)cc2)c1 ZINC000540996352 478528620 /nfs/dbraw/zinc/52/86/20/478528620.db2.gz NTUJGRCDJKUKPA-UHFFFAOYSA-N 0 0 341.323 2.862 10 5 EFBERN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCC12CC2 ZINC000600816796 478531631 /nfs/dbraw/zinc/53/16/31/478531631.db2.gz KVYCZGYJZIXNMY-LBPRGKRZSA-N 0 0 327.344 2.899 10 5 EFBERN C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000594755019 478532008 /nfs/dbraw/zinc/53/20/08/478532008.db2.gz DZWPAQLBBRVUBP-SECBINFHSA-N 0 0 340.323 2.603 10 5 EFBERN CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759485 478533670 /nfs/dbraw/zinc/53/36/70/478533670.db2.gz OHYUMKFSKUULTD-RYUDHWBXSA-N 0 0 327.406 2.579 10 5 EFBERN C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cncnc1 ZINC000600819020 478533851 /nfs/dbraw/zinc/53/38/51/478533851.db2.gz PICHLYBJIYMHML-SNVBAGLBSA-N 0 0 334.763 2.501 10 5 EFBERN CC1(CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000594763736 478534785 /nfs/dbraw/zinc/53/47/85/478534785.db2.gz ZEKVYHHGXIFMDX-UHFFFAOYSA-N 0 0 335.385 2.612 10 5 EFBERN C[C@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763617 478534870 /nfs/dbraw/zinc/53/48/70/478534870.db2.gz WFODVHICUZJVRE-GXTWGEPZSA-N 0 0 347.396 2.557 10 5 EFBERN C[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594767636 478535637 /nfs/dbraw/zinc/53/56/37/478535637.db2.gz UOOPTXMFWFNOOE-NHYWBVRUSA-N 0 0 347.396 2.592 10 5 EFBERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H](C)C2 ZINC000594769003 478535663 /nfs/dbraw/zinc/53/56/63/478535663.db2.gz ADYNRRJNHXNVFC-ABAIWWIYSA-N 0 0 347.396 2.510 10 5 EFBERN C[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594767634 478536357 /nfs/dbraw/zinc/53/63/57/478536357.db2.gz UOOPTXMFWFNOOE-ABAIWWIYSA-N 0 0 347.396 2.592 10 5 EFBERN CCC[C@@H](C)[C@@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594764327 478536389 /nfs/dbraw/zinc/53/63/89/478536389.db2.gz KHFRODVZFVUCEA-NEPJUHHUSA-N 0 0 327.406 2.579 10 5 EFBERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])CCC2 ZINC000594776072 478538028 /nfs/dbraw/zinc/53/80/28/478538028.db2.gz PQYGGHVOEXSABG-CQSZACIVSA-N 0 0 347.396 2.654 10 5 EFBERN C[C@@H]1C[C@H](C(C)(C)C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779806 478538428 /nfs/dbraw/zinc/53/84/28/478538428.db2.gz SFHOHGRGXRJCQX-VXGBXAGGSA-N 0 0 341.433 2.825 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)COCC(F)(F)F)c1 ZINC000541115030 478538476 /nfs/dbraw/zinc/53/84/76/478538476.db2.gz LCCVINJEWBNNHT-QMMMGPOBSA-N 0 0 336.266 2.761 10 5 EFBERN COC(=O)Cc1cccc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000541112887 478538489 /nfs/dbraw/zinc/53/84/89/478538489.db2.gz HZFMKBCBXLHYJH-UHFFFAOYSA-N 0 0 344.323 2.841 10 5 EFBERN CCC1(CC)CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594780290 478538632 /nfs/dbraw/zinc/53/86/32/478538632.db2.gz PXFKKSKUQVYPSJ-UHFFFAOYSA-N 0 0 341.433 2.971 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000594789422 478541934 /nfs/dbraw/zinc/54/19/34/478541934.db2.gz YXACYMMKHZAVMK-CYBMUJFWSA-N 0 0 339.417 2.723 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](CO)Cc1ccccc1 ZINC000597858039 478544046 /nfs/dbraw/zinc/54/40/46/478544046.db2.gz PHBBTVSNZGCJJS-INIZCTEOSA-N 0 0 328.368 2.579 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)c1ccccn1 ZINC000594798106 478544084 /nfs/dbraw/zinc/54/40/84/478544084.db2.gz ZKJBRKXOKZTFBY-CYBMUJFWSA-N 0 0 349.412 2.689 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N1CCC12CCCC2 ZINC000594798151 478544573 /nfs/dbraw/zinc/54/45/73/478544573.db2.gz YYQFSWUGIFFQCZ-UHFFFAOYSA-N 0 0 347.396 2.850 10 5 EFBERN COC1CC(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000597857379 478544728 /nfs/dbraw/zinc/54/47/28/478544728.db2.gz FUNRVWNSHMDVMX-UHFFFAOYSA-N 0 0 347.415 2.740 10 5 EFBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2ccco2)CC1 ZINC000594798449 478545032 /nfs/dbraw/zinc/54/50/32/478545032.db2.gz BCFBFPIVDQSOHN-UHFFFAOYSA-N 0 0 336.369 2.756 10 5 EFBERN COC1CC(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597860875 478547511 /nfs/dbraw/zinc/54/75/11/478547511.db2.gz HSPQYNAHVQWNBS-UHFFFAOYSA-N 0 0 331.372 2.550 10 5 EFBERN CCC(C)(C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000594812986 478548312 /nfs/dbraw/zinc/54/83/12/478548312.db2.gz KJCFUYMAHDMSQO-SNVBAGLBSA-N 0 0 330.406 2.706 10 5 EFBERN Cc1cc(OCC(=O)NC[C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000597866370 478551605 /nfs/dbraw/zinc/55/16/05/478551605.db2.gz WOYSMXWDSWLNAM-ZDUSSCGKSA-N 0 0 329.356 2.597 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(C2CCC2)CC1 ZINC000594821405 478552463 /nfs/dbraw/zinc/55/24/63/478552463.db2.gz GZZKVNDORWQEOS-UHFFFAOYSA-N 0 0 342.392 2.935 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000600892410 478554394 /nfs/dbraw/zinc/55/43/94/478554394.db2.gz OQRPXCRNYLHWOB-ZSBIGDGJSA-N 0 0 325.386 2.564 10 5 EFBERN O=C1Nc2ccccc2CC[C@@H]1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582276406 478554837 /nfs/dbraw/zinc/55/48/37/478554837.db2.gz APTUZZRDSXCXBR-SFHVURJKSA-N 0 0 337.379 2.906 10 5 EFBERN CCCN1C[C@H](c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000591457086 478557697 /nfs/dbraw/zinc/55/76/97/478557697.db2.gz YHRJPIIDNAIUCP-DGCLKSJQSA-N 0 0 344.371 2.856 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCN([C@@H](C)c2nccs2)CC1 ZINC000563428636 478558190 /nfs/dbraw/zinc/55/81/90/478558190.db2.gz ZIPBFYLKYIPTPK-LBPRGKRZSA-N 0 0 348.428 2.943 10 5 EFBERN Nc1cc(N2CCC[C@H](CC(F)(F)F)C2)cc(CO)c1[N+](=O)[O-] ZINC000591462756 478560369 /nfs/dbraw/zinc/56/03/69/478560369.db2.gz WYDUDJKBUBPVTR-SECBINFHSA-N 0 0 333.310 2.838 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CC34CCSCC4)c2c1 ZINC000591462232 478560385 /nfs/dbraw/zinc/56/03/85/478560385.db2.gz IUODCDFAMZZWDA-LLVKDONJSA-N 0 0 330.413 2.905 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594854963 478561476 /nfs/dbraw/zinc/56/14/76/478561476.db2.gz AECSZWDCFKNSRT-GFCCVEGCSA-N 0 0 344.408 2.918 10 5 EFBERN CCC1(CC)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000594854288 478561935 /nfs/dbraw/zinc/56/19/35/478561935.db2.gz ITEQQNUXCMHAKY-UHFFFAOYSA-N 0 0 327.406 2.581 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594854964 478562073 /nfs/dbraw/zinc/56/20/73/478562073.db2.gz AECSZWDCFKNSRT-LBPRGKRZSA-N 0 0 344.408 2.918 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](CCF)C2)c1C ZINC000594858222 478563150 /nfs/dbraw/zinc/56/31/50/478563150.db2.gz SIAIUBJSIIEOPP-CYBMUJFWSA-N 0 0 344.408 2.972 10 5 EFBERN Cn1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)nnc1C1CC1 ZINC000597899235 478564299 /nfs/dbraw/zinc/56/42/99/478564299.db2.gz XPKXEDODGQODCU-UHFFFAOYSA-N 0 0 347.350 2.656 10 5 EFBERN CSc1ccc(C(=O)Nc2nnc(C3CC3)n2C)cc1[N+](=O)[O-] ZINC000597897914 478564772 /nfs/dbraw/zinc/56/47/72/478564772.db2.gz SXPPSTUQFBXEMP-UHFFFAOYSA-N 0 0 333.373 2.575 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1C(F)(F)F ZINC000591509947 478571215 /nfs/dbraw/zinc/57/12/15/478571215.db2.gz UKYNURCJYYCPMG-LBPRGKRZSA-N 0 0 332.278 2.615 10 5 EFBERN O=C(N[C@H](CO)C1CCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597919099 478573961 /nfs/dbraw/zinc/57/39/61/478573961.db2.gz KPBHOVHWPFHUSO-GFCCVEGCSA-N 0 0 332.278 2.504 10 5 EFBERN O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594889409 478574630 /nfs/dbraw/zinc/57/46/30/478574630.db2.gz DRDGKINWLALNDP-KXUCPTDWSA-N 0 0 327.178 2.955 10 5 EFBERN Cc1cc(F)ccc1C[C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597919015 478574724 /nfs/dbraw/zinc/57/47/24/478574724.db2.gz JQFNDWWKARAQPW-GFCCVEGCSA-N 0 0 348.378 2.721 10 5 EFBERN O=C(N[C@H](CO)C1CCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597921641 478575411 /nfs/dbraw/zinc/57/54/11/478575411.db2.gz XEFXOJAUERXKPY-GFCCVEGCSA-N 0 0 332.278 2.504 10 5 EFBERN CO[C@@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CCCC1 ZINC000594893776 478575520 /nfs/dbraw/zinc/57/55/20/478575520.db2.gz JGGOAQHJWBDMJR-AWEZNQCLSA-N 0 0 333.344 2.617 10 5 EFBERN C[C@@]1(C2CC2)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000597921373 478576178 /nfs/dbraw/zinc/57/61/78/478576178.db2.gz DJOZPSOAUSJNJC-KRWDZBQOSA-N 0 0 329.356 2.717 10 5 EFBERN Cc1c(Br)c(=O)n([C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594896560 478577225 /nfs/dbraw/zinc/57/72/25/478577225.db2.gz ZLHKXCKAWKGCKI-QMMMGPOBSA-N 0 0 331.166 2.567 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](O)CC12CCC2 ZINC000591540964 478577950 /nfs/dbraw/zinc/57/79/50/478577950.db2.gz VCXOUEFLBBAXLY-GFCCVEGCSA-N 0 0 329.356 2.596 10 5 EFBERN COC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000597924240 478578211 /nfs/dbraw/zinc/57/82/11/478578211.db2.gz VPWSVKIILIDZAN-CQSZACIVSA-N 0 0 348.355 2.512 10 5 EFBERN C[C@@]1(C2CC2)CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000597925219 478579588 /nfs/dbraw/zinc/57/95/88/478579588.db2.gz UJWOWZWXABRZLG-SFHVURJKSA-N 0 0 341.367 2.784 10 5 EFBERN C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ncnn21 ZINC000597936313 478585010 /nfs/dbraw/zinc/58/50/10/478585010.db2.gz NOTFPMSOVNUAEV-KWQFWETISA-N 0 0 343.368 2.837 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000597938270 478586252 /nfs/dbraw/zinc/58/62/52/478586252.db2.gz WHRUUONNTPAWAO-SKDRFNHKSA-N 0 0 347.400 2.734 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000597937407 478586312 /nfs/dbraw/zinc/58/63/12/478586312.db2.gz RTPDJNCUPYOEAR-ZYHUDNBSSA-N 0 0 329.360 2.547 10 5 EFBERN CC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600965342 478588408 /nfs/dbraw/zinc/58/84/08/478588408.db2.gz NQTKWEWCJMBCMY-INIZCTEOSA-N 0 0 331.416 2.617 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000597951367 478593566 /nfs/dbraw/zinc/59/35/66/478593566.db2.gz ITFQLAIKYXPGSR-NSHDSACASA-N 0 0 331.376 2.730 10 5 EFBERN C[C@@H]1CC(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000597979061 478604729 /nfs/dbraw/zinc/60/47/29/478604729.db2.gz KNBCORJTVJNLNS-STQMWFEESA-N 0 0 347.415 2.513 10 5 EFBERN CSc1cccc(C(=O)NCCc2cnccc2C)c1[N+](=O)[O-] ZINC000597978929 478604854 /nfs/dbraw/zinc/60/48/54/478604854.db2.gz VRYONLHNISLZLP-UHFFFAOYSA-N 0 0 331.397 2.993 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000597998879 478611838 /nfs/dbraw/zinc/61/18/38/478611838.db2.gz CTLBDYVJFPJOBY-LBPRGKRZSA-N 0 0 346.355 2.549 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H](O)C(F)(F)C1 ZINC000597997863 478611848 /nfs/dbraw/zinc/61/18/48/478611848.db2.gz CXTBJMQISQZZBR-LBPRGKRZSA-N 0 0 342.323 2.652 10 5 EFBERN COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCCCC1 ZINC000598006645 478614882 /nfs/dbraw/zinc/61/48/82/478614882.db2.gz RYLLHOCOYSRQIO-UHFFFAOYSA-N 0 0 334.372 2.851 10 5 EFBERN COc1ccc(CNc2cccc3c2CCN(C)C3=O)cc1[N+](=O)[O-] ZINC000594979467 478616089 /nfs/dbraw/zinc/61/60/89/478616089.db2.gz LJZHGWOKBUYCKC-UHFFFAOYSA-N 0 0 341.367 2.844 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000601020612 478617998 /nfs/dbraw/zinc/61/79/98/478617998.db2.gz VQGRSXKEDTYJSK-YIONKMFJSA-N 0 0 330.384 2.997 10 5 EFBERN COc1cc(CNCc2c(C3CCC3)cnn2C)c([N+](=O)[O-])cc1O ZINC000594985573 478618898 /nfs/dbraw/zinc/61/88/98/478618898.db2.gz XOKKAJHZWPMLIV-UHFFFAOYSA-N 0 0 346.387 2.600 10 5 EFBERN C[C@H](CO)[C@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598018182 478619146 /nfs/dbraw/zinc/61/91/46/478619146.db2.gz JYCLUNYIRQAUFF-BDJLRTHQSA-N 0 0 331.372 2.699 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000598038611 478626671 /nfs/dbraw/zinc/62/66/71/478626671.db2.gz FDBNJSWMAIIDKF-OAHLLOKOSA-N 0 0 330.344 2.528 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000598041303 478629107 /nfs/dbraw/zinc/62/91/07/478629107.db2.gz SODJJEGUEACKBP-MRXNPFEDSA-N 0 0 344.371 2.918 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](O)C(F)(F)F ZINC000591784197 478629357 /nfs/dbraw/zinc/62/93/57/478629357.db2.gz GJWMZILKQVJKNE-LDWIPMOCSA-N 0 0 340.685 2.598 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598047961 478632517 /nfs/dbraw/zinc/63/25/17/478632517.db2.gz MEUQPBUDNWQXAH-CYBMUJFWSA-N 0 0 333.388 2.567 10 5 EFBERN C[C@H]1COC2(CCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598054934 478637817 /nfs/dbraw/zinc/63/78/17/478637817.db2.gz OIUBTMAIFCISFN-NSHDSACASA-N 0 0 329.356 2.860 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000598059577 478638598 /nfs/dbraw/zinc/63/85/98/478638598.db2.gz GJDSGXQUDFKKRK-LJGSYFOKSA-N 0 0 349.206 2.716 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598059999 478638844 /nfs/dbraw/zinc/63/88/44/478638844.db2.gz KOACADNOSMIYEG-MGCOHNPYSA-N 0 0 340.401 2.623 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598060200 478639127 /nfs/dbraw/zinc/63/91/27/478639127.db2.gz PTZUHRQSNFQBPH-CZMCAQCFSA-N 0 0 343.177 2.655 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598060378 478639618 /nfs/dbraw/zinc/63/96/18/478639618.db2.gz CVNWAKHUVCCOGS-UHFFFAOYSA-N 0 0 332.400 2.803 10 5 EFBERN COCC1(C2CCC2)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000598060380 478640085 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Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598512711 478874515 /nfs/dbraw/zinc/87/45/15/478874515.db2.gz ULNHSQOLRCGGST-SNVBAGLBSA-N 0 0 332.278 2.697 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601560583 478879083 /nfs/dbraw/zinc/87/90/83/478879083.db2.gz HWOMKZSGQAGIJI-CVEARBPZSA-N 0 0 333.388 2.742 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601560586 478879483 /nfs/dbraw/zinc/87/94/83/478879483.db2.gz HWOMKZSGQAGIJI-JKSUJKDBSA-N 0 0 333.388 2.742 10 5 EFBERN CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCCOC1 ZINC000572627833 478882679 /nfs/dbraw/zinc/88/26/79/478882679.db2.gz MGRHWFYOKBDJGI-CYBMUJFWSA-N 0 0 336.391 2.932 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598539820 478885529 /nfs/dbraw/zinc/88/55/29/478885529.db2.gz GXAHSONELRXBDT-HDICACEKSA-N 0 0 330.384 2.557 10 5 EFBERN Cc1sc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000598540485 478886791 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EFBERN COCC1(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000598551878 478890994 /nfs/dbraw/zinc/89/09/94/478890994.db2.gz WNGDTSIIARDOPI-UHFFFAOYSA-N 0 0 336.388 2.991 10 5 EFBERN Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034000 478891490 /nfs/dbraw/zinc/89/14/90/478891490.db2.gz DCWUPJUCHJRMSP-WFASDCNBSA-N 0 0 333.388 2.522 10 5 EFBERN COCC1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000598556547 478892508 /nfs/dbraw/zinc/89/25/08/478892508.db2.gz WDCJSEIBUXIADO-UHFFFAOYSA-N 0 0 336.388 2.829 10 5 EFBERN Cc1nc(C)c(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC000601589291 478893917 /nfs/dbraw/zinc/89/39/17/478893917.db2.gz RZOHXCBOZBCNBZ-UHFFFAOYSA-N 0 0 329.356 2.938 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cnn(C)c1C ZINC000572686718 478894627 /nfs/dbraw/zinc/89/46/27/478894627.db2.gz ZNRMDOIHMQIKHA-UHFFFAOYSA-N 0 0 331.376 2.863 10 5 EFBERN Cc1c(CC(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598563236 478896281 /nfs/dbraw/zinc/89/62/81/478896281.db2.gz GBTAZWXDCFOIDX-HWPZZCPQSA-N 0 0 342.342 2.717 10 5 EFBERN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000598565625 478898577 /nfs/dbraw/zinc/89/85/77/478898577.db2.gz RQEICBHKQLBHDV-RTHLEPHNSA-N 0 0 332.278 2.619 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000598569671 478900718 /nfs/dbraw/zinc/90/07/18/478900718.db2.gz CEENTTLOCGBTAX-HNNXBMFYSA-N 0 0 339.298 2.572 10 5 EFBERN Cn1cc(C(=O)N2CC3CC2(C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598568015 478900923 /nfs/dbraw/zinc/90/09/23/478900923.db2.gz IOKDAEVYLFOEIL-UHFFFAOYSA-N 0 0 326.356 2.620 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000598568689 478901186 /nfs/dbraw/zinc/90/11/86/478901186.db2.gz AZERBOHPRDKDSM-ZDUSSCGKSA-N 0 0 334.706 2.744 10 5 EFBERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598571747 478902828 /nfs/dbraw/zinc/90/28/28/478902828.db2.gz MIGMLEKCPDCLTN-ZUZCIYMTSA-N 0 0 328.315 2.788 10 5 EFBERN C[C@@H](C(=O)N1CCO[C@@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598571891 478904137 /nfs/dbraw/zinc/90/41/37/478904137.db2.gz LCNIRESTVPNZGA-MEBBXXQBSA-N 0 0 328.315 2.581 10 5 EFBERN C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000598577404 478906123 /nfs/dbraw/zinc/90/61/23/478906123.db2.gz NZQSUTYNJWHINN-SNVBAGLBSA-N 0 0 343.339 2.511 10 5 EFBERN Cc1c(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598576121 478906286 /nfs/dbraw/zinc/90/62/86/478906286.db2.gz ZAOGBNFGYHWACR-VFZGTOFNSA-N 0 0 328.315 2.788 10 5 EFBERN Nc1c(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000598577669 478907672 /nfs/dbraw/zinc/90/76/72/478907672.db2.gz ZMKFQIWABDWWTK-INIZCTEOSA-N 0 0 338.367 2.939 10 5 EFBERN COC[C@@]1(C)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601613909 478907848 /nfs/dbraw/zinc/90/78/48/478907848.db2.gz TWAGLRPKZFWZTG-KRWDZBQOSA-N 0 0 332.400 2.902 10 5 EFBERN COC(=O)c1ccnc(NCc2cccnc2OC(C)C)c1[N+](=O)[O-] ZINC000598591164 478917097 /nfs/dbraw/zinc/91/70/97/478917097.db2.gz USOFEQMLSQGJSO-UHFFFAOYSA-N 0 0 346.343 2.571 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2CCCO[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000598601912 478921633 /nfs/dbraw/zinc/92/16/33/478921633.db2.gz QIHBTMQIVUARIF-RISCZKNCSA-N 0 0 337.376 2.640 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1[N+](=O)[O-] ZINC000598607304 478922885 /nfs/dbraw/zinc/92/28/85/478922885.db2.gz JHLDSSYZQUKWEO-ZNMIVQPWSA-N 0 0 339.351 2.774 10 5 EFBERN COC(=O)c1ccnc(N2CCC(OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000598604986 478923368 /nfs/dbraw/zinc/92/33/68/478923368.db2.gz RFHRZVJZKGJIAA-UHFFFAOYSA-N 0 0 337.376 2.560 10 5 EFBERN Cc1ccc(S(=O)(=O)NCCC2(F)CCC2)c(C)c1[N+](=O)[O-] ZINC000598610446 478924577 /nfs/dbraw/zinc/92/45/77/478924577.db2.gz CCFAKHMZUFLZRL-UHFFFAOYSA-N 0 0 330.381 2.772 10 5 EFBERN CCCn1c(=O)[nH]nc1SCc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492312421 478924684 /nfs/dbraw/zinc/92/46/84/478924684.db2.gz LGBBULBIGNSBEX-UHFFFAOYSA-N 0 0 338.389 2.993 10 5 EFBERN COC(=O)[C@H](c1cccc(OC)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595672172 478925944 /nfs/dbraw/zinc/92/59/44/478925944.db2.gz DPFNYNWKPMNCGD-KRWDZBQOSA-N 0 0 344.367 2.950 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CCC[C@H](CCF)C2)c(C)c1[N+](=O)[O-] ZINC000598613664 478927219 /nfs/dbraw/zinc/92/72/19/478927219.db2.gz BUKLMQTZZYVEJE-CYBMUJFWSA-N 0 0 344.408 2.972 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H](C)c2ncc(C)s2)c1[N+](=O)[O-] ZINC000598618680 478928817 /nfs/dbraw/zinc/92/88/17/478928817.db2.gz KEPINGQQRVFCLD-MRVPVSSYSA-N 0 0 336.373 2.757 10 5 EFBERN O=C(NCCC1(CO)CCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601655474 478930290 /nfs/dbraw/zinc/93/02/90/478930290.db2.gz IJJSFSOGASQRLE-UHFFFAOYSA-N 0 0 332.400 2.685 10 5 EFBERN CC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(F)(F)F ZINC000598619048 478930459 /nfs/dbraw/zinc/93/04/59/478930459.db2.gz YOVULFYXVAUUPI-JTQLQIEISA-N 0 0 340.323 2.831 10 5 EFBERN C[C@@H]1COC2(CCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595681106 478932850 /nfs/dbraw/zinc/93/28/50/478932850.db2.gz KAOUUHNCCHJQOB-GFCCVEGCSA-N 0 0 344.371 2.788 10 5 EFBERN COC(=O)c1ccnc(N[C@H](C2CC2)[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000598630868 478934511 /nfs/dbraw/zinc/93/45/11/478934511.db2.gz NFFJURNRQUFBRZ-QWHCGFSZSA-N 0 0 335.360 2.536 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000598631298 478934562 /nfs/dbraw/zinc/93/45/62/478934562.db2.gz QBCRXPLTXQMPIK-TZMCWYRMSA-N 0 0 327.340 2.992 10 5 EFBERN COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000595682353 478934494 /nfs/dbraw/zinc/93/44/94/478934494.db2.gz WWLMUOKAWWUUHF-QGZVFWFLSA-N 0 0 344.367 2.950 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000592529846 478935422 /nfs/dbraw/zinc/93/54/22/478935422.db2.gz UAIKCENALKWJIS-GFCCVEGCSA-N 0 0 334.372 2.525 10 5 EFBERN O=C(NC1CC1)c1ccc(NCC[C@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598639600 478939618 /nfs/dbraw/zinc/93/96/18/478939618.db2.gz UWQHAHNXNDXEIS-JTQLQIEISA-N 0 0 325.315 2.944 10 5 EFBERN NS(=O)(=O)c1ccc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000598647076 478941657 /nfs/dbraw/zinc/94/16/57/478941657.db2.gz KEEPEDFTQSOJDL-MXWKQRLJSA-N 0 0 342.442 2.771 10 5 EFBERN O=C(N1CC[C@@H]2COC[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601669854 478942290 /nfs/dbraw/zinc/94/22/90/478942290.db2.gz JPMAJOIXEKYQCZ-ZIAGYGMSSA-N 0 0 330.384 2.511 10 5 EFBERN NS(=O)(=O)c1cccc(SC[C@@H]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000598650443 478945481 /nfs/dbraw/zinc/94/54/81/478945481.db2.gz YFFIRMWNCSKINY-OUAUKWLOSA-N 0 0 342.442 2.771 10 5 EFBERN C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000601675967 478946058 /nfs/dbraw/zinc/94/60/58/478946058.db2.gz QWFCBARFJMINHE-XLKFXECMSA-N 0 0 332.278 2.619 10 5 EFBERN CCc1nn(C)c(N(C)Cc2c(C)cc(C)nc2OC)c1[N+](=O)[O-] ZINC000598651469 478946298 /nfs/dbraw/zinc/94/62/98/478946298.db2.gz SWDCAOZYGGQNGC-UHFFFAOYSA-N 0 0 333.392 2.548 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cn(C2CCC2)nn1 ZINC000592580301 478949719 /nfs/dbraw/zinc/94/97/19/478949719.db2.gz OHPHBSWPCJMVBT-SNVBAGLBSA-N 0 0 327.344 2.503 10 5 EFBERN CC1CC(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000598658128 478950363 /nfs/dbraw/zinc/95/03/63/478950363.db2.gz NAACYEFRJRYWNZ-UHFFFAOYSA-N 0 0 330.388 2.964 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COc1cnn(C)c1C(F)(F)F ZINC000583823881 478950779 /nfs/dbraw/zinc/95/07/79/478950779.db2.gz KZMIJDYPXAYAAD-UHFFFAOYSA-N 0 0 331.250 2.935 10 5 EFBERN CCn1nc(C)c(CN(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1C ZINC000601700080 478958461 /nfs/dbraw/zinc/95/84/61/478958461.db2.gz HPUHURYXAGYPAZ-UHFFFAOYSA-N 0 0 345.403 2.742 10 5 EFBERN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000565245054 478962564 /nfs/dbraw/zinc/96/25/64/478962564.db2.gz HWMKRWIJYMDNCB-GFCCVEGCSA-N 0 0 333.388 2.866 10 5 EFBERN Cc1ccc(COCC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000598678654 478966415 /nfs/dbraw/zinc/96/64/15/478966415.db2.gz KJRFLQSIFFOEFX-UHFFFAOYSA-N 0 0 328.368 2.779 10 5 EFBERN Cc1cc(NC(=O)[C@H](C)OCC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000545905179 478969478 /nfs/dbraw/zinc/96/94/78/478969478.db2.gz XWVSYAKYXAUFAT-LBPRGKRZSA-N 0 0 331.372 2.873 10 5 EFBERN C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000595749600 478975255 /nfs/dbraw/zinc/97/52/55/478975255.db2.gz ORIMKCRFGAGBFO-LLVKDONJSA-N 0 0 334.401 2.996 10 5 EFBERN CC(C)(C)C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000573039045 478976473 /nfs/dbraw/zinc/97/64/73/478976473.db2.gz CMOCNIRERYTAPS-UHFFFAOYSA-N 0 0 341.433 2.505 10 5 EFBERN COc1ccc(NC(=O)CN2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595756286 478977858 /nfs/dbraw/zinc/97/78/58/478977858.db2.gz SJCOTRIMYNRCFO-GFCCVEGCSA-N 0 0 339.367 2.614 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Oc2ccccc2F)CC1 ZINC000601741538 478980304 /nfs/dbraw/zinc/98/03/04/478980304.db2.gz VLCOSDKCILFJNX-UHFFFAOYSA-N 0 0 345.330 2.813 10 5 EFBERN C[C@@]12COC[C@@H]1CN(Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000595759460 478980401 /nfs/dbraw/zinc/98/04/01/478980401.db2.gz QIHPJPOWUHOZOA-SMDDNHRTSA-N 0 0 341.205 2.826 10 5 EFBERN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(CCF)CC1 ZINC000601746485 478982321 /nfs/dbraw/zinc/98/23/21/478982321.db2.gz AJFIHQHTJAYGJV-UHFFFAOYSA-N 0 0 346.362 2.992 10 5 EFBERN COc1cc(C(=O)N2CCC(CCF)CC2)c([N+](=O)[O-])cc1F ZINC000601748144 478983363 /nfs/dbraw/zinc/98/33/63/478983363.db2.gz ZGZSIHHMDUCAAG-UHFFFAOYSA-N 0 0 328.315 2.954 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000592659940 478986602 /nfs/dbraw/zinc/98/66/02/478986602.db2.gz DVTSKTCOFNNXJQ-HOSYDEDBSA-N 0 0 340.401 2.849 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](O)C(F)F ZINC000601762363 478989766 /nfs/dbraw/zinc/98/97/66/478989766.db2.gz FOWTUGDAALHHNC-NSHDSACASA-N 0 0 348.371 2.841 10 5 EFBERN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)CC(F)F ZINC000592671915 478989785 /nfs/dbraw/zinc/98/97/85/478989785.db2.gz KUFWMUWZWHOUOL-SNVBAGLBSA-N 0 0 338.314 2.802 10 5 EFBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)CC(F)F ZINC000592671765 478989802 /nfs/dbraw/zinc/98/98/02/478989802.db2.gz FEOZBNBGONWQTH-JTQLQIEISA-N 0 0 338.314 2.802 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](O)C(F)F ZINC000601762478 478990554 /nfs/dbraw/zinc/99/05/54/478990554.db2.gz GUQFJZUBFATVKV-LLVKDONJSA-N 0 0 348.371 2.843 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601766448 478991060 /nfs/dbraw/zinc/99/10/60/478991060.db2.gz JTDYUQDYQNJHTP-KHQFGBGNSA-N 0 0 343.177 2.653 10 5 EFBERN COc1ccccc1C1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592676104 478991651 /nfs/dbraw/zinc/99/16/51/478991651.db2.gz IZVZCWIVMBZRGY-UHFFFAOYSA-N 0 0 326.352 2.951 10 5 EFBERN COCC1(C2CC2)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000601769540 478992226 /nfs/dbraw/zinc/99/22/26/478992226.db2.gz RZOIGZLHGUXMML-UHFFFAOYSA-N 0 0 330.340 2.840 10 5 EFBERN Cc1nn(C)c(C(=O)NC2(c3cccc(F)c3)CCC2)c1[N+](=O)[O-] ZINC000592675516 478992533 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336.294 2.780 10 5 EFBERN C[C@@](CO)(NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000601775577 478996098 /nfs/dbraw/zinc/99/60/98/478996098.db2.gz GAJVQRREGYGCBY-UXLLHSPISA-N 0 0 346.408 2.784 10 5 EFBERN O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000601775262 478996303 /nfs/dbraw/zinc/99/63/03/478996303.db2.gz OOEMDHYAXCRWGW-GUYCJALGSA-N 0 0 326.356 2.843 10 5 EFBERN C[C@@](CO)(NC(=O)C1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601774664 478996324 /nfs/dbraw/zinc/99/63/24/478996324.db2.gz CGAOLUYHGPLHGI-HNNXBMFYSA-N 0 0 342.342 2.744 10 5 EFBERN Cc1cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)sc1C ZINC000601774684 478996478 /nfs/dbraw/zinc/99/64/78/478996478.db2.gz CKFKCDGNYXFSGM-INIZCTEOSA-N 0 0 334.397 2.911 10 5 EFBERN Cc1ccc(CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601774712 478996579 /nfs/dbraw/zinc/99/65/79/478996579.db2.gz CTKCCQJILONDRA-INIZCTEOSA-N 0 0 334.397 2.531 10 5 EFBERN Cc1cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)sc1C 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CCOC(=O)c1cc(C(=O)NCC[C@H]2CC2(F)F)cc([N+](=O)[O-])c1 ZINC000598784168 479025584 /nfs/dbraw/zinc/02/55/84/479025584.db2.gz RDGLYNXYAUOSMV-NSHDSACASA-N 0 0 342.298 2.547 10 5 EFBERN CCc1nccn1[C@H](C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000592749444 479025929 /nfs/dbraw/zinc/02/59/29/479025929.db2.gz SREMHTZWGYOLSZ-CYBMUJFWSA-N 0 0 330.388 2.963 10 5 EFBERN COC(=O)C12CCC(CC1)N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000601832644 479025954 /nfs/dbraw/zinc/02/59/54/479025954.db2.gz MRKIZXFVOJKBPL-UHFFFAOYSA-N 0 0 332.356 2.522 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCOC1(C)C ZINC000595839008 479026269 /nfs/dbraw/zinc/02/62/69/479026269.db2.gz BYJPNKNGLMEXJP-AWEZNQCLSA-N 0 0 335.404 2.594 10 5 EFBERN COCC[C@@H](C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565526693 479027758 /nfs/dbraw/zinc/02/77/58/479027758.db2.gz BBVCTIQOTYXDSE-GFCCVEGCSA-N 0 0 348.403 2.590 10 5 EFBERN O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@@]3(CCSC3)C2)c1 ZINC000514601020 479031814 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C[C@@](CO)(Cc1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000601851262 479039604 /nfs/dbraw/zinc/03/96/04/479039604.db2.gz IJURQJRGRCVFEZ-HNNXBMFYSA-N 0 0 338.360 2.519 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCc2nccnc2C1 ZINC000595865251 479039904 /nfs/dbraw/zinc/03/99/04/479039904.db2.gz UXRWQARNLXBGDW-UHFFFAOYSA-N 0 0 328.372 2.730 10 5 EFBERN Cc1cc(C(=O)N[C@](C)(CO)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000601851802 479040803 /nfs/dbraw/zinc/04/08/03/479040803.db2.gz JUQPUTBCXWEPCX-SFHVURJKSA-N 0 0 346.358 2.766 10 5 EFBERN Cc1cc(C(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000601852899 479040970 /nfs/dbraw/zinc/04/09/70/479040970.db2.gz RSCOJHVEHXXJAK-GOSISDBHSA-N 0 0 346.358 2.766 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc2c1CCOC2 ZINC000601856412 479043204 /nfs/dbraw/zinc/04/32/04/479043204.db2.gz OGSZZDAVAYGZKO-UHFFFAOYSA-N 0 0 326.352 2.906 10 5 EFBERN Cc1cc(NC(=O)[C@]23C[C@H]2COC3(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000598827983 479043824 /nfs/dbraw/zinc/04/38/24/479043824.db2.gz MDHUOWQGXKPIPG-VOJFVSQTSA-N 0 0 341.367 2.627 10 5 EFBERN CCc1cc(NC(=O)[C@@H](OC)C2CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000598829433 479044094 /nfs/dbraw/zinc/04/40/94/479044094.db2.gz XYZLVWQZDJWLCE-KRWDZBQOSA-N 0 0 343.383 2.881 10 5 EFBERN Cc1cc(NC(=O)c2ccnn2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000598829404 479044254 /nfs/dbraw/zinc/04/42/54/479044254.db2.gz WVNLIJNWPIHNAJ-UHFFFAOYSA-N 0 0 330.344 2.704 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc2c1CCOC2 ZINC000601857293 479044587 /nfs/dbraw/zinc/04/45/87/479044587.db2.gz WGBBWYJFIZZHEA-UHFFFAOYSA-N 0 0 326.352 2.906 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000584180090 479044634 /nfs/dbraw/zinc/04/46/34/479044634.db2.gz QUYQBMTYYOITST-MNOVXSKESA-N 0 0 325.796 2.721 10 5 EFBERN Cc1cccc(C[C@]2(C)CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000601868084 479049282 /nfs/dbraw/zinc/04/92/82/479049282.db2.gz FNVHWNJKXXAQNU-SFHVURJKSA-N 0 0 342.399 2.724 10 5 EFBERN COc1ccc(CN2CCO[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000595888581 479054528 /nfs/dbraw/zinc/05/45/28/479054528.db2.gz FEYSIOIBNHVORK-LLVKDONJSA-N 0 0 334.294 2.757 10 5 EFBERN COc1ccc(CC(=O)N[C@H](C2CCC2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601880691 479054446 /nfs/dbraw/zinc/05/44/46/479054446.db2.gz CZNMJPXHXXTSSH-SJLPKXTDSA-N 0 0 348.399 2.610 10 5 EFBERN CCNc1ccc(C(=O)N2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000598852272 479054669 /nfs/dbraw/zinc/05/46/69/479054669.db2.gz GDWONKZKXSYRPK-KRWDZBQOSA-N 0 0 333.388 2.668 10 5 EFBERN COc1cc(CN2CCO[C@@H](C)[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000595892198 479056478 /nfs/dbraw/zinc/05/64/78/479056478.db2.gz LXDBRVWDDHYMHV-ZANVPECISA-N 0 0 334.294 2.755 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccnn1CC1CCC1 ZINC000601884339 479056740 /nfs/dbraw/zinc/05/67/40/479056740.db2.gz KPRLQZSOKBOKGU-UHFFFAOYSA-N 0 0 330.344 2.609 10 5 EFBERN O=[N+]([O-])c1ccc(OCCN2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000595893294 479056902 /nfs/dbraw/zinc/05/69/02/479056902.db2.gz VUJIENJOBLTZPZ-ZDUSSCGKSA-N 0 0 334.294 2.627 10 5 EFBERN CNc1ccc(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000601885011 479057263 /nfs/dbraw/zinc/05/72/63/479057263.db2.gz KXJIURDVTWPQCA-JKSUJKDBSA-N 0 0 333.388 2.714 10 5 EFBERN Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(N(C)C)nn1 ZINC000598857507 479057772 /nfs/dbraw/zinc/05/77/72/479057772.db2.gz XUJUNEAKBFGMQW-SNVBAGLBSA-N 0 0 347.350 2.641 10 5 EFBERN O=C(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)NC1CCCCC1 ZINC000514737356 479059127 /nfs/dbraw/zinc/05/91/27/479059127.db2.gz ADXXEUBMNUHMDD-UHFFFAOYSA-N 0 0 328.372 2.907 10 5 EFBERN C[C@H](NC(=O)NC(C)(C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000546706771 479060172 /nfs/dbraw/zinc/06/01/72/479060172.db2.gz OYWSYHSZSUQXHE-NSHDSACASA-N 0 0 331.376 2.624 10 5 EFBERN O=C(NCC[C@H]1CSc2ccccc2O1)c1ccc([N+](=O)[O-])[nH]1 ZINC000592826892 479060851 /nfs/dbraw/zinc/06/08/51/479060851.db2.gz DFGKMBQFLXJOIS-JTQLQIEISA-N 0 0 333.369 2.596 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2c(cccc2C(N)=O)C1 ZINC000595902713 479062105 /nfs/dbraw/zinc/06/21/05/479062105.db2.gz LZUMLIURGWEMTP-GFCCVEGCSA-N 0 0 325.368 2.813 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000598867789 479062732 /nfs/dbraw/zinc/06/27/32/479062732.db2.gz RFYVVYJLFKGIEK-GZBFAFLISA-N 0 0 346.383 2.789 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000598867788 479063133 /nfs/dbraw/zinc/06/31/33/479063133.db2.gz RFYVVYJLFKGIEK-GUTXKFCHSA-N 0 0 346.383 2.789 10 5 EFBERN CCc1n[nH]c(C(=O)N(Cc2ccc(C)nc2)CC2CC2)c1[N+](=O)[O-] ZINC000592833033 479065865 /nfs/dbraw/zinc/06/58/65/479065865.db2.gz XKRKEOYHRDTHSC-UHFFFAOYSA-N 0 0 343.387 2.636 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000598871969 479066026 /nfs/dbraw/zinc/06/60/26/479066026.db2.gz PZXHYRYTHVYFKO-ZBFHGGJFSA-N 0 0 342.399 2.778 10 5 EFBERN COc1cc(C(=O)N2CC(C)(CC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000592834175 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O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602112288 479181207 /nfs/dbraw/zinc/18/12/07/479181207.db2.gz YIRPSLVYPZKLKH-XJKCOSOUSA-N 0 0 344.396 2.696 10 5 EFBERN CCn1cc(CN(C)c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)cn1 ZINC000610769962 479182038 /nfs/dbraw/zinc/18/20/38/479182038.db2.gz GPMUGBQWQXZWMI-UHFFFAOYSA-N 0 0 332.360 2.543 10 5 EFBERN O=C(NCc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000610770944 479182550 /nfs/dbraw/zinc/18/25/50/479182550.db2.gz LDMGFSZYZBQJAJ-UHFFFAOYSA-N 0 0 326.356 2.520 10 5 EFBERN COCCN(Cc1ccc(C)cc1C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610769676 479182640 /nfs/dbraw/zinc/18/26/40/479182640.db2.gz DCOZGFPIFSWYJH-UHFFFAOYSA-N 0 0 343.383 2.895 10 5 EFBERN COc1cc(NC[C@@](C)(O)C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596180123 479184282 /nfs/dbraw/zinc/18/42/82/479184282.db2.gz SVJBHLYOQCQWFX-SNVBAGLBSA-N 0 0 328.674 2.982 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(OC(C)(C)C)n2)n1 ZINC000599153421 479184335 /nfs/dbraw/zinc/18/43/35/479184335.db2.gz CIYAAGCKXUHTMN-UHFFFAOYSA-N 0 0 344.331 2.618 10 5 EFBERN O=C(NCC1(CO)CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610779966 479185589 /nfs/dbraw/zinc/18/55/89/479185589.db2.gz OJKPUFYCHFANMN-UHFFFAOYSA-N 0 0 331.372 2.749 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3nc(C4CC4)ncc3C2)n1 ZINC000599159684 479186732 /nfs/dbraw/zinc/18/67/32/479186732.db2.gz BNNQQQVEHNPSHI-UHFFFAOYSA-N 0 0 325.372 2.837 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000596185173 479187394 /nfs/dbraw/zinc/18/73/94/479187394.db2.gz FHXHNUJZVGNHSF-LBPRGKRZSA-N 0 0 342.779 2.896 10 5 EFBERN COc1cc(N(C)C[C@H](O)C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000596184898 479187532 /nfs/dbraw/zinc/18/75/32/479187532.db2.gz JNMNRULGGCOUTA-JTQLQIEISA-N 0 0 328.674 2.616 10 5 EFBERN O=C(CN1CC[C@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593119393 479187736 /nfs/dbraw/zinc/18/77/36/479187736.db2.gz XGPXEKVEIBHZDE-ZDUSSCGKSA-N 0 0 345.733 2.918 10 5 EFBERN Cc1cn2c(n1)CN(c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000596190252 479188793 /nfs/dbraw/zinc/18/87/93/479188793.db2.gz QBYNYDFKXACVMU-UHFFFAOYSA-N 0 0 337.177 2.882 10 5 EFBERN Cc1cc(=NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[nH]n1[C@H](C)C1CC1 ZINC000593121533 479189190 /nfs/dbraw/zinc/18/91/90/479189190.db2.gz ATPWFVPOBVHUOF-LLVKDONJSA-N 0 0 346.362 2.813 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)[C@@H]1OC ZINC000596191668 479190362 /nfs/dbraw/zinc/19/03/62/479190362.db2.gz BEDIJIMQKJYXEW-GDLCADMTSA-N 0 0 330.768 2.861 10 5 EFBERN CN1C(=O)c2ccccc2[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599164798 479190258 /nfs/dbraw/zinc/19/02/58/479190258.db2.gz NSJQHGJYUGDWQC-MRXNPFEDSA-N 0 0 338.367 2.802 10 5 EFBERN COC(=O)c1ccc2oc3ccc(SCCO)cc3c(=O)c2c1 ZINC000584590688 479190432 /nfs/dbraw/zinc/19/04/32/479190432.db2.gz WOVJVISMFXXZPB-UHFFFAOYSA-N 0 0 330.361 2.817 10 5 EFBERN CCO[C@@H]1C[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)[C@@H]1OC ZINC000596191669 479190975 /nfs/dbraw/zinc/19/09/75/479190975.db2.gz BEDIJIMQKJYXEW-HONMWMINSA-N 0 0 330.768 2.861 10 5 EFBERN COc1ccc(-c2cc(Cn3cc([N+](=O)[O-])cc(C)c3=O)on2)cc1 ZINC000610797118 479191208 /nfs/dbraw/zinc/19/12/08/479191208.db2.gz LRWDVFHZLKJUPJ-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596194353 479191596 /nfs/dbraw/zinc/19/15/96/479191596.db2.gz DMTBAYXUSYNQAU-KCJUWKMLSA-N 0 0 331.294 2.861 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596194355 479191874 /nfs/dbraw/zinc/19/18/74/479191874.db2.gz DMTBAYXUSYNQAU-LDYMZIIASA-N 0 0 331.294 2.861 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599168495 479192853 /nfs/dbraw/zinc/19/28/53/479192853.db2.gz WXJFKEBAWVHDLJ-HEWAKGLMSA-N 0 0 331.397 2.633 10 5 EFBERN CCc1cnc(N2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)s1 ZINC000610807049 479193564 /nfs/dbraw/zinc/19/35/64/479193564.db2.gz JOVVAAGVWYIICO-UHFFFAOYSA-N 0 0 333.417 2.644 10 5 EFBERN COCc1cc([N+](=O)[O-])ccc1NCC(C)(C)C(=O)N1CCCC1 ZINC000599171191 479193919 /nfs/dbraw/zinc/19/39/19/479193919.db2.gz YVAHLQAKZKXDQU-UHFFFAOYSA-N 0 0 335.404 2.802 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000593126964 479193897 /nfs/dbraw/zinc/19/38/97/479193897.db2.gz ZJHZGTOHYIXTSG-CQSZACIVSA-N 0 0 343.358 2.763 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596200713 479194717 /nfs/dbraw/zinc/19/47/17/479194717.db2.gz RSGPROYFQOKNSQ-LBPRGKRZSA-N 0 0 340.763 2.650 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000593128410 479195173 /nfs/dbraw/zinc/19/51/73/479195173.db2.gz IKGUDKVFLQQJEC-CYBMUJFWSA-N 0 0 327.287 2.866 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599173917 479195739 /nfs/dbraw/zinc/19/57/39/479195739.db2.gz KHWHXVIPCORPFH-IINYFYTJSA-N 0 0 341.205 2.956 10 5 EFBERN Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1Oc1ccc(Br)cc1 ZINC000584637170 479197236 /nfs/dbraw/zinc/19/72/36/479197236.db2.gz HTCDSCOPLJVEJK-UHFFFAOYSA-N 0 0 343.093 2.791 10 5 EFBERN COc1cc(NC[C@@H](C)c2nncn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596205138 479197971 /nfs/dbraw/zinc/19/79/71/479197971.db2.gz ZLOQKUPNYVUUJE-MRVPVSSYSA-N 0 0 325.756 2.601 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H]2CO[C@H](C3CC3)C2)c(Br)c1 ZINC000599180879 479198207 /nfs/dbraw/zinc/19/82/07/479198207.db2.gz NRDUWRVCVWXFRR-KCJUWKMLSA-N 0 0 328.166 2.732 10 5 EFBERN Cc1nn(C)c(Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)c1[N+](=O)[O-] ZINC000599182534 479198466 /nfs/dbraw/zinc/19/84/66/479198466.db2.gz MBPMAHMZFMYIAO-SECBINFHSA-N 0 0 329.360 2.850 10 5 EFBERN CCOC(=O)Cc1ccc(N[C@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000599181210 479198627 /nfs/dbraw/zinc/19/86/27/479198627.db2.gz QMASXRFXJCATRE-CJNGLKHVSA-N 0 0 334.372 2.680 10 5 EFBERN O=C(NCCC1(CO)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593136803 479198717 /nfs/dbraw/zinc/19/87/17/479198717.db2.gz VMNHZJSZPGSVAF-UHFFFAOYSA-N 0 0 327.768 2.922 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCCCCO2)c1 ZINC000593139321 479200266 /nfs/dbraw/zinc/20/02/66/479200266.db2.gz GNTDFZCQRMSUKW-UHFFFAOYSA-N 0 0 344.371 2.706 10 5 EFBERN O=C([C@@H]1C[C@@H]1C1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593142668 479200846 /nfs/dbraw/zinc/20/08/46/479200846.db2.gz OSTKJAWQQNEWEI-HUUCEWRRSA-N 0 0 332.404 2.781 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1(C(F)(F)F)CCCC1 ZINC000599185352 479201040 /nfs/dbraw/zinc/20/10/40/479201040.db2.gz RKMZYDZJJRNISH-UHFFFAOYSA-N 0 0 332.282 2.623 10 5 EFBERN COC(=O)[C@@H]1CN(c2c(OC)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599187503 479201704 /nfs/dbraw/zinc/20/17/04/479201704.db2.gz IQKMMUGMQIZXFO-CQSZACIVSA-N 0 0 342.351 2.880 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC3(CC3)CC2)s1 ZINC000599190762 479202762 /nfs/dbraw/zinc/20/27/62/479202762.db2.gz FLIWQLQTLRRXMJ-UHFFFAOYSA-N 0 0 330.431 2.830 10 5 EFBERN CC(C)[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000596211085 479202852 /nfs/dbraw/zinc/20/28/52/479202852.db2.gz PILONPGJWRGBKS-MRXNPFEDSA-N 0 0 347.415 2.747 10 5 EFBERN COc1cc(N2CC[C@@H](C)[S@@](=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596211195 479202886 /nfs/dbraw/zinc/20/28/86/479202886.db2.gz SGWFPQJHZKRBLE-BTKVJGODSA-N 0 0 332.809 2.604 10 5 EFBERN COc1ccc([C@@H]2CCN(c3c([N+](=O)[O-])c(C)nn3C)C2)cc1F ZINC000599195245 479203598 /nfs/dbraw/zinc/20/35/98/479203598.db2.gz UGPYQUPLXRCZJZ-GFCCVEGCSA-N 0 0 334.351 2.778 10 5 EFBERN COCC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596216409 479205203 /nfs/dbraw/zinc/20/52/03/479205203.db2.gz IQZSUTKHMNXTJC-UHFFFAOYSA-N 0 0 328.752 2.508 10 5 EFBERN CNC(=O)c1ccc(N2CC(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000599196649 479205464 /nfs/dbraw/zinc/20/54/64/479205464.db2.gz PVAMACLYQIXKAD-UHFFFAOYSA-N 0 0 331.397 2.695 10 5 EFBERN COC[C@@]1(C)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000599202205 479206620 /nfs/dbraw/zinc/20/66/20/479206620.db2.gz NWLSBRFIOVQSAK-CYBMUJFWSA-N 0 0 334.294 2.855 10 5 EFBERN COC[C@]1(C)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000599200939 479206846 /nfs/dbraw/zinc/20/68/46/479206846.db2.gz BPLIZSWXLCSNIO-ZDUSSCGKSA-N 0 0 334.294 2.855 10 5 EFBERN COCCC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000599205985 479208973 /nfs/dbraw/zinc/20/89/73/479208973.db2.gz NATGGNJMXUWXDW-UHFFFAOYSA-N 0 0 345.403 2.643 10 5 EFBERN COc1cc(NC[C@H]2CCCN(C(C)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596226021 479209746 /nfs/dbraw/zinc/20/97/46/479209746.db2.gz SUBDBPJJSCCHTC-LLVKDONJSA-N 0 0 341.795 2.927 10 5 EFBERN CC(C)[C@@H]1C[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593167815 479214860 /nfs/dbraw/zinc/21/48/60/479214860.db2.gz JHPBNOFLMSCFGA-WBMJQRKESA-N 0 0 338.379 2.844 10 5 EFBERN CC(C)Oc1cc(C(=O)N2CC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000556819496 479214941 /nfs/dbraw/zinc/21/49/41/479214941.db2.gz GIWHJXSMGLJHQF-NSHDSACASA-N 0 0 344.314 2.836 10 5 EFBERN COc1cc(NC[C@@H](CO)c2cccnc2)c(Cl)cc1[N+](=O)[O-] ZINC000596235516 479216235 /nfs/dbraw/zinc/21/62/35/479216235.db2.gz KTDNYHPDHAJDCL-NSHDSACASA-N 0 0 337.763 2.840 10 5 EFBERN COc1cc(NC[C@H](CO)c2cccnc2)c(Cl)cc1[N+](=O)[O-] ZINC000596235515 479216568 /nfs/dbraw/zinc/21/65/68/479216568.db2.gz KTDNYHPDHAJDCL-LLVKDONJSA-N 0 0 337.763 2.840 10 5 EFBERN COCC[C@@H](COC)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596236049 479216845 /nfs/dbraw/zinc/21/68/45/479216845.db2.gz IGXCTDRIAZZGJS-VIFPVBQESA-N 0 0 333.182 2.821 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCOCC12CCCCC2 ZINC000593169252 479217445 /nfs/dbraw/zinc/21/74/45/479217445.db2.gz QCSJVGATLQRFCH-UHFFFAOYSA-N 0 0 336.363 2.838 10 5 EFBERN O=C(NC[C@H]1CCCC12CC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599243303 479218527 /nfs/dbraw/zinc/21/85/27/479218527.db2.gz JAFGDNKBYKLBQH-CYBMUJFWSA-N 0 0 347.419 2.718 10 5 EFBERN COc1cc(N2CCC(F)(F)[C@H](CO)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596242612 479219932 /nfs/dbraw/zinc/21/99/32/479219932.db2.gz ZHWMDWFPHBJPJL-QMMMGPOBSA-N 0 0 336.722 2.711 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC12CCSCC2 ZINC000593174578 479220867 /nfs/dbraw/zinc/22/08/67/479220867.db2.gz HKZBEDQFHGPVAC-LBPRGKRZSA-N 0 0 338.404 2.926 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cc(OC)c(C)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000596246709 479222345 /nfs/dbraw/zinc/22/23/45/479222345.db2.gz FVYGQYAATCGXKE-IAOVAPTHSA-N 0 0 346.387 2.939 10 5 EFBERN COC[C@@]1(C)CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596248959 479224195 /nfs/dbraw/zinc/22/41/95/479224195.db2.gz AHHZOZPAYSNORB-HNNXBMFYSA-N 0 0 342.779 2.898 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000610891188 479225152 /nfs/dbraw/zinc/22/51/52/479225152.db2.gz UABCGCYQFXYVSL-UHFFFAOYSA-N 0 0 327.340 2.748 10 5 EFBERN COc1cc(NC[C@@H]2CCOC[C@H]2OC)c(Cl)cc1[N+](=O)[O-] ZINC000596252314 479225536 /nfs/dbraw/zinc/22/55/36/479225536.db2.gz BVMJGFVOTRAANH-LKFCYVNXSA-N 0 0 330.768 2.720 10 5 EFBERN COc1cc(NC[C@H]2CCOC[C@H]2OC)c(Cl)cc1[N+](=O)[O-] ZINC000596252317 479225824 /nfs/dbraw/zinc/22/58/24/479225824.db2.gz BVMJGFVOTRAANH-YMTOWFKASA-N 0 0 330.768 2.720 10 5 EFBERN COC(=O)C1(COc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596261431 479229849 /nfs/dbraw/zinc/22/98/49/479229849.db2.gz UCVLOAXTTHWPAQ-UHFFFAOYSA-N 0 0 330.134 2.689 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H](O)C2CCC2)ccc1[N+](=O)[O-] ZINC000596262355 479229950 /nfs/dbraw/zinc/22/99/50/479229950.db2.gz QSJDSDOUBFQTBQ-NSHDSACASA-N 0 0 328.752 2.608 10 5 EFBERN COC(=O)C1(COc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000596261201 479230311 /nfs/dbraw/zinc/23/03/11/479230311.db2.gz OLVPFVDUQWWNJD-UHFFFAOYSA-N 0 0 330.134 2.689 10 5 EFBERN COc1cc(NCCNc2nc(C)cs2)c(Cl)cc1[N+](=O)[O-] ZINC000596266819 479230528 /nfs/dbraw/zinc/23/05/28/479230528.db2.gz WHYYHHGRWJMHRA-UHFFFAOYSA-N 0 0 342.808 2.968 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000596274054 479233926 /nfs/dbraw/zinc/23/39/26/479233926.db2.gz OUCCNRWWJJYFJO-DCAQKATOSA-N 0 0 341.205 2.955 10 5 EFBERN COc1cc(N2CC[C@H](c3nc(C)n[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596274992 479234068 /nfs/dbraw/zinc/23/40/68/479234068.db2.gz ZMEBXLLMNBXJFA-VIFPVBQESA-N 0 0 337.767 2.677 10 5 EFBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCO[C@@H](C)C1 ZINC000596278352 479234871 /nfs/dbraw/zinc/23/48/71/479234871.db2.gz PPJUVVGDPMPHPX-UONOGXRCSA-N 0 0 331.372 2.671 10 5 EFBERN CC(C)[C@]1(C2CC2)NC(=O)N(Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000596278420 479235131 /nfs/dbraw/zinc/23/51/31/479235131.db2.gz MAXINMDIYABGPX-MRXNPFEDSA-N 0 0 335.335 2.591 10 5 EFBERN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000610929457 479235390 /nfs/dbraw/zinc/23/53/90/479235390.db2.gz LRIRJSWDGBESON-HZGVNTEJSA-N 0 0 325.674 2.799 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2ccnc(C)n2)c1 ZINC000593197050 479235478 /nfs/dbraw/zinc/23/54/78/479235478.db2.gz HNCZCIUCQSGMKR-UHFFFAOYSA-N 0 0 333.369 2.913 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSCc2ccc(OC)nn2)c1 ZINC000593199551 479236195 /nfs/dbraw/zinc/23/61/95/479236195.db2.gz ZUKMNHKZLQSEES-UHFFFAOYSA-N 0 0 349.368 2.613 10 5 EFBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1CC[C@@H]1CCCCO1 ZINC000596279584 479236868 /nfs/dbraw/zinc/23/68/68/479236868.db2.gz XRCOIOMOHSWRPQ-INIZCTEOSA-N 0 0 331.372 2.815 10 5 EFBERN COc1cc(NC[C@H]2CC[C@H](C(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596280367 479236901 /nfs/dbraw/zinc/23/69/01/479236901.db2.gz YUAVJMJZLYRQNK-MGCOHNPYSA-N 0 0 341.795 2.960 10 5 EFBERN COC(=O)[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000596285293 479239600 /nfs/dbraw/zinc/23/96/00/479239600.db2.gz KXERVJDLNMCXRZ-RKDXNWHRSA-N 0 0 328.752 2.502 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1(CO)CCC1 ZINC000593206981 479240323 /nfs/dbraw/zinc/24/03/23/479240323.db2.gz GCHJNJPJQMROCI-UHFFFAOYSA-N 0 0 337.376 2.668 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596289668 479240710 /nfs/dbraw/zinc/24/07/10/479240710.db2.gz RXGCIRHEMNTJLE-MNOVXSKESA-N 0 0 349.387 2.616 10 5 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O=[N+]([O-])c1ccc(N2CCC[C@@](O)(C3CC3)C2)cc1OC(F)F ZINC000596464876 479305716 /nfs/dbraw/zinc/30/57/16/479305716.db2.gz ZGGSFIVUZNGVAT-HNNXBMFYSA-N 0 0 328.315 2.938 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000599459614 479305816 /nfs/dbraw/zinc/30/58/16/479305816.db2.gz LLURZYASXREQEI-QWHCGFSZSA-N 0 0 338.410 2.799 10 5 EFBERN COc1cc(C(=O)N2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1F ZINC000593352235 479307305 /nfs/dbraw/zinc/30/73/05/479307305.db2.gz DQCBJCKCVVAOLD-CYBMUJFWSA-N 0 0 330.262 2.614 10 5 EFBERN C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CS1(=O)=O ZINC000596467733 479307679 /nfs/dbraw/zinc/30/76/79/479307679.db2.gz YORFMWFYRIZMMG-WDEREUQCSA-N 0 0 335.385 2.521 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCOC[C@H]1c1ccco1 ZINC000611196191 479307845 /nfs/dbraw/zinc/30/78/45/479307845.db2.gz GADKJQCIRHSGLI-AWEZNQCLSA-N 0 0 341.323 2.883 10 5 EFBERN C[C@H]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CS1(=O)=O ZINC000596468128 479307920 /nfs/dbraw/zinc/30/79/20/479307920.db2.gz ZUSORMYGSTUVLB-QWRGUYRKSA-N 0 0 335.385 2.521 10 5 EFBERN CCc1nnc(Sc2cc(C(=O)OC)ccc2[N+](=O)[O-])s1 ZINC000596470477 479308724 /nfs/dbraw/zinc/30/87/24/479308724.db2.gz VFCWCYZLBPRDRP-UHFFFAOYSA-N 0 0 325.371 2.947 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000596469984 479309091 /nfs/dbraw/zinc/30/90/91/479309091.db2.gz QNWUAVIKNJJTDW-QWRGUYRKSA-N 0 0 331.372 2.605 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](C1CC1)C1CCOCC1 ZINC000593356471 479309293 /nfs/dbraw/zinc/30/92/93/479309293.db2.gz OMEKOZGJRUVDQW-KRWDZBQOSA-N 0 0 347.415 2.642 10 5 EFBERN Cc1c(Br)c(NC[C@H]2CCC[C@@H](C)O2)ncc1[N+](=O)[O-] ZINC000596472988 479309579 /nfs/dbraw/zinc/30/95/79/479309579.db2.gz DORKRSDONXLGBH-PSASIEDQSA-N 0 0 344.209 2.852 10 5 EFBERN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593358955 479309739 /nfs/dbraw/zinc/30/97/39/479309739.db2.gz NMZSDZLDSXETMY-OAHLLOKOSA-N 0 0 348.309 2.652 10 5 EFBERN C[C@@]12COC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000596472778 479309891 /nfs/dbraw/zinc/30/98/91/479309891.db2.gz JITNNJNHFWEPQT-YMTOWFKASA-N 0 0 325.752 2.748 10 5 EFBERN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000596474109 479309991 /nfs/dbraw/zinc/30/99/91/479309991.db2.gz JLHCKCSOXSAQQG-CZUORRHYSA-N 0 0 343.387 2.861 10 5 EFBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000593359089 479310119 /nfs/dbraw/zinc/31/01/19/479310119.db2.gz LKDOPQZTNNYQJM-ZDUSSCGKSA-N 0 0 340.351 2.926 10 5 EFBERN COc1cccc2c1CN(S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C2 ZINC000599484184 479310282 /nfs/dbraw/zinc/31/02/82/479310282.db2.gz XWSZVFSYTSJKBA-UHFFFAOYSA-N 0 0 348.380 2.616 10 5 EFBERN C[C@H]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])O1 ZINC000596474797 479310482 /nfs/dbraw/zinc/31/04/82/479310482.db2.gz OLRXFMWBDNIFFL-IUCAKERBSA-N 0 0 330.182 2.544 10 5 EFBERN O=C(NCC(O)(C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596476322 479310930 /nfs/dbraw/zinc/31/09/30/479310930.db2.gz CKHOSISTCBONPM-UHFFFAOYSA-N 0 0 339.779 2.921 10 5 EFBERN C[C@]12COC[C@H]1CN(c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000596479770 479311234 /nfs/dbraw/zinc/31/12/34/479311234.db2.gz KMAALRXSGSNURW-RNCFNFMXSA-N 0 0 327.178 2.830 10 5 EFBERN COc1cccc([C@]2(C)CCN(c3c([N+](=O)[O-])c(C)nn3C)C2)c1 ZINC000596481610 479312277 /nfs/dbraw/zinc/31/22/77/479312277.db2.gz DEOWYYHPRFZELT-QGZVFWFLSA-N 0 0 330.388 2.813 10 5 EFBERN CC[C@H](NC(=O)c1cnc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000611211581 479312945 /nfs/dbraw/zinc/31/29/45/479312945.db2.gz FHDOOWXZJPYFOK-ZDUSSCGKSA-N 0 0 325.328 2.747 10 5 EFBERN C[C@]12COC[C@@H]1CN(c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000596485093 479313169 /nfs/dbraw/zinc/31/31/69/479313169.db2.gz ZSMXFCVSRKZWSZ-ZANVPECISA-N 0 0 327.178 2.830 10 5 EFBERN O=C(NCC1(O)CCC(F)(F)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000596486315 479313810 /nfs/dbraw/zinc/31/38/10/479313810.db2.gz IWYNWTNXOZOFAB-UHFFFAOYSA-N 0 0 347.293 2.796 10 5 EFBERN CCOc1ccc(C(=O)Nc2cc(COC)ccn2)cc1[N+](=O)[O-] ZINC000593369254 479314375 /nfs/dbraw/zinc/31/43/75/479314375.db2.gz MHKRUHJMPQXNOK-UHFFFAOYSA-N 0 0 331.328 2.787 10 5 EFBERN Cn1c2cc([N+](=O)[O-])c(N3CCC4(C3)CCCCC4)cc2n(C)c1=O ZINC000585707325 479314639 /nfs/dbraw/zinc/31/46/39/479314639.db2.gz DMQGTOSTDZXRSN-UHFFFAOYSA-N 0 0 344.415 2.946 10 5 EFBERN Cc1noc(CN2CCC[C@@]2(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000599499142 479314938 /nfs/dbraw/zinc/31/49/38/479314938.db2.gz FPHDPQZDYVOZLJ-HNNXBMFYSA-N 0 0 325.365 2.587 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000596489410 479315168 /nfs/dbraw/zinc/31/51/68/479315168.db2.gz TUCCQOQIZMXKIT-KGLIPLIRSA-N 0 0 332.408 2.676 10 5 EFBERN COC(=O)C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000596490659 479315225 /nfs/dbraw/zinc/31/52/25/479315225.db2.gz LXIQICUSAKGBSA-CYBMUJFWSA-N 0 0 329.356 2.566 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)N2CCC(C3(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000593372688 479316318 /nfs/dbraw/zinc/31/63/18/479316318.db2.gz MEDTWVOBRAXWAR-CYBMUJFWSA-N 0 0 347.415 2.911 10 5 EFBERN C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccncc1 ZINC000611227666 479316701 /nfs/dbraw/zinc/31/67/01/479316701.db2.gz NJGLMDUYRKKEBI-SECBINFHSA-N 0 0 337.177 2.785 10 5 EFBERN COC(=O)C[C@H](CNc1cc(OC)c([N+](=O)[O-])cc1F)C1CC1 ZINC000596493527 479316702 /nfs/dbraw/zinc/31/67/02/479316702.db2.gz SXJAWEMXVPGUAE-SNVBAGLBSA-N 0 0 326.324 2.744 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C12CCC2 ZINC000596495860 479317124 /nfs/dbraw/zinc/31/71/24/479317124.db2.gz XKZNVEPLXXAWTM-CHWSQXEVSA-N 0 0 348.403 2.627 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1NCC(O)(C1CC1)C1CC1 ZINC000596494271 479317223 /nfs/dbraw/zinc/31/72/23/479317223.db2.gz SMGUJPNMUOSLMP-UHFFFAOYSA-N 0 0 342.193 2.715 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C12CCC2 ZINC000596495897 479317383 /nfs/dbraw/zinc/31/73/83/479317383.db2.gz YHPFWPZBHCOCPC-VXGBXAGGSA-N 0 0 345.403 2.598 10 5 EFBERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H](C)O1 ZINC000596495859 479317424 /nfs/dbraw/zinc/31/74/24/479317424.db2.gz XJSXGBLBADZNTG-KGLIPLIRSA-N 0 0 347.415 2.835 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC2(CC2)CC1 ZINC000599509603 479317744 /nfs/dbraw/zinc/31/77/44/479317744.db2.gz OIDHQNWGHVURMI-UHFFFAOYSA-N 0 0 340.401 2.558 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc2c(c1)CCCO2 ZINC000596500712 479318530 /nfs/dbraw/zinc/31/85/30/479318530.db2.gz FFKQPURHSMRBTR-NSHDSACASA-N 0 0 329.356 2.749 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H]2C[C@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000596501466 479318844 /nfs/dbraw/zinc/31/88/44/479318844.db2.gz FMOZRJMPDVSCJV-QWRGUYRKSA-N 0 0 340.763 2.750 10 5 EFBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000596500681 479318973 /nfs/dbraw/zinc/31/89/73/479318973.db2.gz DXAVAJFYWIOZCM-XPTSAGLGSA-N 0 0 329.303 2.871 10 5 EFBERN CC(C)(C)Oc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000611240016 479319137 /nfs/dbraw/zinc/31/91/37/479319137.db2.gz USSUHEJQTAFLLG-UHFFFAOYSA-N 0 0 341.371 2.849 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000611236821 479319268 /nfs/dbraw/zinc/31/92/68/479319268.db2.gz DEYOSMYVFDXYPO-ZDUSSCGKSA-N 0 0 332.335 2.835 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000596502607 479319763 /nfs/dbraw/zinc/31/97/63/479319763.db2.gz SLXSXZMJERSCQW-CYBMUJFWSA-N 0 0 333.266 2.622 10 5 EFBERN CC(C)(CCNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000611240031 479320036 /nfs/dbraw/zinc/32/00/36/479320036.db2.gz FAKNVZVMHRBGFL-UHFFFAOYSA-N 0 0 325.372 2.839 10 5 EFBERN O=C([C@@H]1CCCC12CC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599531053 479322331 /nfs/dbraw/zinc/32/23/31/479322331.db2.gz GEMWQSBAMIKOCO-OCCSQVGLSA-N 0 0 330.388 2.583 10 5 EFBERN CC1(C)[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1(F)F ZINC000596512621 479323616 /nfs/dbraw/zinc/32/36/16/479323616.db2.gz IANDZDLJZDCOFI-QMMMGPOBSA-N 0 0 336.136 2.877 10 5 EFBERN Cc1cccc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1[N+](=O)[O-] ZINC000596514996 479324135 /nfs/dbraw/zinc/32/41/35/479324135.db2.gz PZOPQNODMRQNTC-HZPDHXFCSA-N 0 0 331.416 2.959 10 5 EFBERN COC(=O)c1c(Cl)c(NCC2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596515076 479324493 /nfs/dbraw/zinc/32/44/93/479324493.db2.gz NWPZPCGULJFBFT-UHFFFAOYSA-N 0 0 342.779 2.998 10 5 EFBERN C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000596517529 479324937 /nfs/dbraw/zinc/32/49/37/479324937.db2.gz LRGAZZIQEYPLLL-CYBMUJFWSA-N 0 0 328.372 2.635 10 5 EFBERN CC(C)(C)N1C[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])CC1=O ZINC000596519884 479326018 /nfs/dbraw/zinc/32/60/18/479326018.db2.gz MSCIXQINUQXYMV-LBPRGKRZSA-N 0 0 342.399 2.624 10 5 EFBERN CCS(=O)(=O)C1(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596521192 479326519 /nfs/dbraw/zinc/32/65/19/479326519.db2.gz MOGXANPAMVQWAH-UHFFFAOYSA-N 0 0 348.808 2.636 10 5 EFBERN CCS(=O)(=O)C1(CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000596521267 479327110 /nfs/dbraw/zinc/32/71/10/479327110.db2.gz OHKKHLSSABTOGN-UHFFFAOYSA-N 0 0 349.412 2.831 10 5 EFBERN O=C1CCCN1C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000596525626 479327916 /nfs/dbraw/zinc/32/79/16/479327916.db2.gz RXMFHTIGCRVGFL-CYBMUJFWSA-N 0 0 340.383 2.592 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2COC[C@@H]2C1 ZINC000596526725 479328915 /nfs/dbraw/zinc/32/89/15/479328915.db2.gz GGSWGXDQASIFCZ-RYUDHWBXSA-N 0 0 329.356 2.624 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(O)CCC(F)(F)CC2)c1 ZINC000596528030 479328971 /nfs/dbraw/zinc/32/89/71/479328971.db2.gz LTQLQUQYAODYDR-UHFFFAOYSA-N 0 0 344.314 2.734 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCOc3ccc(O)cc3C1)CCCC2 ZINC000596534607 479331171 /nfs/dbraw/zinc/33/11/71/479331171.db2.gz PATZLBLFFRJSMW-UHFFFAOYSA-N 0 0 341.367 2.973 10 5 EFBERN COC(=O)[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000596534093 479331371 /nfs/dbraw/zinc/33/13/71/479331371.db2.gz WVEUDRKKUYJZHQ-WAAGHKOSSA-N 0 0 330.287 2.584 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000596536162 479331882 /nfs/dbraw/zinc/33/18/82/479331882.db2.gz RIWVPEZJRUNUHS-CYBMUJFWSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)(O)C1CCC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593418555 479332065 /nfs/dbraw/zinc/33/20/65/479332065.db2.gz JQYYOHPVSVROBY-UHFFFAOYSA-N 0 0 334.416 2.831 10 5 EFBERN CC(C)NC(=O)[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000596535669 479332160 /nfs/dbraw/zinc/33/21/60/479332160.db2.gz FGQCOHUYXZRKHD-CQSZACIVSA-N 0 0 342.399 2.884 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000596536672 479332194 /nfs/dbraw/zinc/33/21/94/479332194.db2.gz SEXOOPQUEZYZHL-NSHDSACASA-N 0 0 325.796 2.989 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000596537709 479333594 /nfs/dbraw/zinc/33/35/94/479333594.db2.gz LQUQKGWPFDQQCO-ZDUSSCGKSA-N 0 0 342.399 2.884 10 5 EFBERN CC1(C)OCC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000596545303 479335318 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EFBERN Cc1c(NC(=O)[C@H](C)SCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000593437431 479340460 /nfs/dbraw/zinc/34/04/60/479340460.db2.gz MOGRJRRCUOMNIZ-NSHDSACASA-N 0 0 334.401 2.897 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](c2ccccc2)[C@H](C)O)c1[N+](=O)[O-] ZINC000596563926 479341260 /nfs/dbraw/zinc/34/12/60/479341260.db2.gz AACBNXPWWLLMNU-FZMZJTMJSA-N 0 0 345.355 2.619 10 5 EFBERN COC(=O)c1cnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000596570612 479343426 /nfs/dbraw/zinc/34/34/26/479343426.db2.gz TWTNTGHCFQSQBY-SNVBAGLBSA-N 0 0 348.384 2.617 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000611303798 479343683 /nfs/dbraw/zinc/34/36/83/479343683.db2.gz XXTGHKWSZWZRDW-GUYCJALGSA-N 0 0 328.368 2.798 10 5 EFBERN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596571961 479344159 /nfs/dbraw/zinc/34/41/59/479344159.db2.gz BRPGYYZAOQGXGY-MADCSZMMSA-N 0 0 332.332 2.553 10 5 EFBERN C[C@]1(C(F)F)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CCO1 ZINC000596571941 479344164 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10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593450001 479346349 /nfs/dbraw/zinc/34/63/49/479346349.db2.gz IOOUCDPLPGCCFD-QGZVFWFLSA-N 0 0 347.415 2.941 10 5 EFBERN CCOc1ccc(C(=O)NC2CCC(O)(CC)CC2)cc1[N+](=O)[O-] ZINC000611315547 479346504 /nfs/dbraw/zinc/34/65/04/479346504.db2.gz GOOXOKDDGQCQAU-UHFFFAOYSA-N 0 0 336.388 2.807 10 5 EFBERN C[C@@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCCO1 ZINC000596581603 479347940 /nfs/dbraw/zinc/34/79/40/479347940.db2.gz DDPONXNDWRGUGF-WFASDCNBSA-N 0 0 346.387 2.990 10 5 EFBERN C[C@@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@H]1CCCO1 ZINC000596581602 479348022 /nfs/dbraw/zinc/34/80/22/479348022.db2.gz DDPONXNDWRGUGF-SWLSCSKDSA-N 0 0 346.387 2.990 10 5 EFBERN O=[N+]([O-])c1cc(F)c(CN2CCOC[C@@H]2C(F)(F)F)c(F)c1 ZINC000586768417 479348513 /nfs/dbraw/zinc/34/85/13/479348513.db2.gz QCCCXIOIWXXLCI-LLVKDONJSA-N 0 0 326.221 2.636 10 5 EFBERN CCCNC(=O)[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593458856 479349625 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CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593461353 479350794 /nfs/dbraw/zinc/35/07/94/479350794.db2.gz KNUAXSWUKNTKDX-YPMHNXCESA-N 0 0 349.412 2.911 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[C@@H](OC)C3)n2)c1 ZINC000596593887 479351016 /nfs/dbraw/zinc/35/10/16/479351016.db2.gz TVLOSPNONAMUES-CMPLNLGQSA-N 0 0 333.344 2.860 10 5 EFBERN Cc1cc(Cc2noc(C(C)(C)n3cccn3)n2)ccc1[N+](=O)[O-] ZINC000596593330 479351331 /nfs/dbraw/zinc/35/13/31/479351331.db2.gz VHYMEFVBNHQGJV-UHFFFAOYSA-N 0 0 327.344 2.857 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000586777999 479351550 /nfs/dbraw/zinc/35/15/50/479351550.db2.gz IQOMITYKWRBFOA-NOZJJQNGSA-N 0 0 334.294 2.755 10 5 EFBERN O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586779383 479351819 /nfs/dbraw/zinc/35/18/19/479351819.db2.gz WIKCEMLIRDXKNS-UHFFFAOYSA-N 0 0 346.730 2.760 10 5 EFBERN COc1cc(Cc2noc([C@@]34C[C@@H]3COC4(C)C)n2)ccc1[N+](=O)[O-] ZINC000596596773 479352514 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CC(C)(NC(=O)Cc1cn2c(n1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000593508063 479370441 /nfs/dbraw/zinc/37/04/41/479370441.db2.gz CIVKCZGCZGSCMC-UHFFFAOYSA-N 0 0 342.399 2.722 10 5 EFBERN COC(=O)c1cc(C)nc(N2CCNc3ccccc3C2)c1[N+](=O)[O-] ZINC000587201704 479370826 /nfs/dbraw/zinc/37/08/26/479370826.db2.gz KXMSRKCXHDTGNW-UHFFFAOYSA-N 0 0 342.355 2.517 10 5 EFBERN CCN(CC)c1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cn1 ZINC000587261263 479370904 /nfs/dbraw/zinc/37/09/04/479370904.db2.gz NSQPNIFUSYGLLC-UHFFFAOYSA-N 0 0 345.403 2.523 10 5 EFBERN COc1ccc(Cl)cc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587290743 479371193 /nfs/dbraw/zinc/37/11/93/479371193.db2.gz CQYVEYKYPUYIKU-UHFFFAOYSA-N 0 0 337.763 2.943 10 5 EFBERN O=[N+]([O-])c1ccc(CCO)c(-c2cc(CO)ccc2OC(F)F)c1 ZINC000596647901 479371320 /nfs/dbraw/zinc/37/13/20/479371320.db2.gz YSGNKGKULCBAPE-UHFFFAOYSA-N 0 0 339.294 2.890 10 5 EFBERN O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596648398 479371387 /nfs/dbraw/zinc/37/13/87/479371387.db2.gz AYWUMDZETGHKSD-RRFJBIMHSA-N 0 0 329.400 2.680 10 5 EFBERN CN1C(=O)CCc2cc(-c3cc([N+](=O)[O-])ccc3CCO)ccc21 ZINC000596647633 479371464 /nfs/dbraw/zinc/37/14/64/479371464.db2.gz SNJLGPPJUKFVNJ-UHFFFAOYSA-N 0 0 326.352 2.706 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000587404719 479371909 /nfs/dbraw/zinc/37/19/09/479371909.db2.gz FOKWXYNPOKHLGZ-WRWORJQWSA-N 0 0 336.241 2.526 10 5 EFBERN C[C@@H](Cn1ncc2ccccc2c1=O)Nc1sccc1[N+](=O)[O-] ZINC000611414234 479372183 /nfs/dbraw/zinc/37/21/83/479372183.db2.gz KQQNZSLPTUDNCM-JTQLQIEISA-N 0 0 330.369 2.867 10 5 EFBERN CCc1noc(C)c1CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599654879 479372671 /nfs/dbraw/zinc/37/26/71/479372671.db2.gz UBPBSQDMQDTXGN-KRWDZBQOSA-N 0 0 347.371 2.632 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000587434194 479372780 /nfs/dbraw/zinc/37/27/80/479372780.db2.gz PJBISJHKHPFOGM-MFKMUULPSA-N 0 0 346.305 2.706 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCC[C@H]21 ZINC000599656923 479374084 /nfs/dbraw/zinc/37/40/84/479374084.db2.gz JWYIXVWJJXJOJH-LZWOXQAQSA-N 0 0 336.363 2.898 10 5 EFBERN COc1cc(N[C@@H]2CCCc3c2ccc(=O)n3C)c(F)cc1[N+](=O)[O-] ZINC000593519960 479375149 /nfs/dbraw/zinc/37/51/49/479375149.db2.gz KAEHBZGTYQGRHX-GFCCVEGCSA-N 0 0 347.346 2.931 10 5 EFBERN COC(=O)c1cc(N2CC[C@]3(CC3(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000593520683 479376300 /nfs/dbraw/zinc/37/63/00/479376300.db2.gz IZVJWGZNPFUYKH-AWEZNQCLSA-N 0 0 326.299 2.925 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@]2(CC2(F)F)C1 ZINC000593521667 479376333 /nfs/dbraw/zinc/37/63/33/479376333.db2.gz NJCHWWDDHJMDEG-SNVBAGLBSA-N 0 0 334.120 2.988 10 5 EFBERN CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593525977 479376763 /nfs/dbraw/zinc/37/67/63/479376763.db2.gz QEUYFTDDJZNJEK-CQSZACIVSA-N 0 0 335.385 2.810 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)nc1 ZINC000593524819 479377326 /nfs/dbraw/zinc/37/73/26/479377326.db2.gz AWHHHLWMPAHKDU-LLVKDONJSA-N 0 0 339.398 2.577 10 5 EFBERN Nc1cc(N2CC[C@@H](c3ccccc3F)C2)cc(CO)c1[N+](=O)[O-] ZINC000587972857 479378073 /nfs/dbraw/zinc/37/80/73/479378073.db2.gz FQTVJAGWFMSXIG-LLVKDONJSA-N 0 0 331.347 2.802 10 5 EFBERN Nc1cc(NC[C@H]2CCc3ccccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587980273 479378658 /nfs/dbraw/zinc/37/86/58/479378658.db2.gz DYOAYPZOQNITBA-LBPRGKRZSA-N 0 0 327.384 2.886 10 5 EFBERN CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587981474 479378673 /nfs/dbraw/zinc/37/86/73/479378673.db2.gz OSUNUASVAIHDCS-BZNIZROVSA-N 0 0 337.420 2.923 10 5 EFBERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587981473 479378741 /nfs/dbraw/zinc/37/87/41/479378741.db2.gz OSUNUASVAIHDCS-BDJLRTHQSA-N 0 0 337.420 2.923 10 5 EFBERN COc1cccc(C[C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587977677 479378892 /nfs/dbraw/zinc/37/88/92/479378892.db2.gz WDRWTSSSMZNAQC-NSHDSACASA-N 0 0 331.372 2.721 10 5 EFBERN Nc1cc(N2CC[C@@H](Cc3ccc(F)cc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587982216 479378918 /nfs/dbraw/zinc/37/89/18/479378918.db2.gz VUGJLZBHQWSPBX-ZDUSSCGKSA-N 0 0 345.374 2.877 10 5 EFBERN COc1cccc(OCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000587982413 479378965 /nfs/dbraw/zinc/37/89/65/479378965.db2.gz LCEZPGGTWZKKNL-UHFFFAOYSA-N 0 0 347.371 2.559 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2c(C)noc2C)c1[N+](=O)[O-] ZINC000587978238 479379219 /nfs/dbraw/zinc/37/92/19/479379219.db2.gz AKNPWRYENTXRCC-QMMMGPOBSA-N 0 0 334.332 2.863 10 5 EFBERN CCCN(CC1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593533882 479379687 /nfs/dbraw/zinc/37/96/87/479379687.db2.gz BADHUQXVXUAUTF-UHFFFAOYSA-N 0 0 341.433 2.971 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C2CCCCC2)nc1 ZINC000593534115 479380285 /nfs/dbraw/zinc/38/02/85/479380285.db2.gz GFICJPVIPYFHKV-AWEZNQCLSA-N 0 0 339.417 2.723 10 5 EFBERN CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H]1CCCCO1 ZINC000587996718 479380609 /nfs/dbraw/zinc/38/06/09/479380609.db2.gz KEAAJCMGUXYNHR-CQSZACIVSA-N 0 0 346.387 2.673 10 5 EFBERN Cc1ccc(C[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000593540767 479381848 /nfs/dbraw/zinc/38/18/48/479381848.db2.gz AWOMIYDQQWIYHW-ZDUSSCGKSA-N 0 0 349.412 2.516 10 5 EFBERN Cc1cc(N2CCC(OCCCO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444786 479382616 /nfs/dbraw/zinc/38/26/16/479382616.db2.gz JMNRFUGSVTXKSU-UHFFFAOYSA-N 0 0 345.399 2.819 10 5 EFBERN Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444923 479383050 /nfs/dbraw/zinc/38/30/50/479383050.db2.gz GOJWFHICRKHGBF-AWEZNQCLSA-N 0 0 341.289 2.955 10 5 EFBERN Cc1ccc(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593544611 479383348 /nfs/dbraw/zinc/38/33/48/479383348.db2.gz WGWGNRXBUODTOH-UHFFFAOYSA-N 0 0 349.412 2.554 10 5 EFBERN Cc1cc(C)cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593544484 479383553 /nfs/dbraw/zinc/38/35/53/479383553.db2.gz UGMHUCDMPAJTNH-GFCCVEGCSA-N 0 0 335.385 2.646 10 5 EFBERN CC[C@H](C)Oc1cc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)ccn1 ZINC000588012746 479384132 /nfs/dbraw/zinc/38/41/32/479384132.db2.gz BNGCKPFQULKZJH-NSHDSACASA-N 0 0 346.387 2.854 10 5 EFBERN COc1ccc2c(c1)CC[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)C2 ZINC000588015596 479384523 /nfs/dbraw/zinc/38/45/23/479384523.db2.gz PAWKXKVQXFAASO-AWEZNQCLSA-N 0 0 343.383 2.647 10 5 EFBERN COc1ccc2c(c1)CC[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)C2 ZINC000588015597 479384839 /nfs/dbraw/zinc/38/48/39/479384839.db2.gz PAWKXKVQXFAASO-CQSZACIVSA-N 0 0 343.383 2.647 10 5 EFBERN CCn1ccc(CN(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1 ZINC000588030456 479385321 /nfs/dbraw/zinc/38/53/21/479385321.db2.gz LCQRUCLIOYSRBD-UHFFFAOYSA-N 0 0 332.360 2.543 10 5 EFBERN Nc1cc(N2CCc3cc(Cl)ccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000588030491 479385821 /nfs/dbraw/zinc/38/58/21/479385821.db2.gz WWTQHUYWJSVPKE-UHFFFAOYSA-N 0 0 333.775 2.885 10 5 EFBERN CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553426 479386346 /nfs/dbraw/zinc/38/63/46/479386346.db2.gz XHTMUFGTWDKOQP-WCQYABFASA-N 0 0 327.406 2.579 10 5 EFBERN CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553422 479386441 /nfs/dbraw/zinc/38/64/41/479386441.db2.gz XHTMUFGTWDKOQP-AAEUAGOBSA-N 0 0 327.406 2.579 10 5 EFBERN Cn1ccnc1C(=O)c1ccc(N2CCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000588040926 479386367 /nfs/dbraw/zinc/38/63/67/479386367.db2.gz YFWDDWJACNETFM-UHFFFAOYSA-N 0 0 326.356 2.550 10 5 EFBERN Nc1cc(NCc2c(F)cc(F)c(F)c2F)cc(CO)c1[N+](=O)[O-] ZINC000588036530 479386718 /nfs/dbraw/zinc/38/67/18/479386718.db2.gz YIVFTXMKRIVLOJ-UHFFFAOYSA-N 0 0 345.252 2.838 10 5 EFBERN COc1cc2c(cc1F)CC[C@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588043901 479387566 /nfs/dbraw/zinc/38/75/66/479387566.db2.gz SRBYVXQENFKYQC-OAHLLOKOSA-N 0 0 347.346 2.916 10 5 EFBERN COc1cc(CCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000596688043 479388167 /nfs/dbraw/zinc/38/81/67/479388167.db2.gz GDLDLEVCMVSPSD-BNOWGMLFSA-N 0 0 348.399 2.707 10 5 EFBERN CN(CCn1ccc([N+](=O)[O-])n1)[C@H](CCc1ccccc1)C(F)F ZINC000599681065 479388900 /nfs/dbraw/zinc/38/89/00/479388900.db2.gz BTIPIBSJYMZLTQ-CQSZACIVSA-N 0 0 338.358 2.990 10 5 EFBERN COc1ccc(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000611475582 479389218 /nfs/dbraw/zinc/38/92/18/479389218.db2.gz CGMPWUDLZVALKX-LLVKDONJSA-N 0 0 330.344 2.828 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000588068523 479389208 /nfs/dbraw/zinc/38/92/08/479389208.db2.gz RSBZNSVKZJLOIK-IMTBSYHQSA-N 0 0 325.674 2.799 10 5 EFBERN CC1(C)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000593564852 479389253 /nfs/dbraw/zinc/38/92/53/479389253.db2.gz ADYKLJFQGKWDCV-CQSZACIVSA-N 0 0 347.396 2.691 10 5 EFBERN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(c2cccc(F)c2)CC1 ZINC000611484931 479390599 /nfs/dbraw/zinc/39/05/99/479390599.db2.gz MZOIMYMOABWMPT-UHFFFAOYSA-N 0 0 341.342 2.745 10 5 EFBERN COC1(c2ccccc2)CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000588084031 479391767 /nfs/dbraw/zinc/39/17/67/479391767.db2.gz CLWNTPXDMUEWTN-UHFFFAOYSA-N 0 0 336.351 2.900 10 5 EFBERN CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000593583053 479393436 /nfs/dbraw/zinc/39/34/36/479393436.db2.gz REXNZXCFRBCRRH-HIFRSBDPSA-N 0 0 338.379 2.532 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 ZINC000575044415 479393863 /nfs/dbraw/zinc/39/38/63/479393863.db2.gz BHAXHFJQTOZYNF-UHFFFAOYSA-N 0 0 341.732 2.744 10 5 EFBERN CC(C)c1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593585766 479395073 /nfs/dbraw/zinc/39/50/73/479395073.db2.gz TTZJLPMMDYSCOL-UHFFFAOYSA-N 0 0 335.385 2.592 10 5 EFBERN C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1F ZINC000611502833 479397316 /nfs/dbraw/zinc/39/73/16/479397316.db2.gz YWTWPFUYYKUSNQ-BXKDBHETSA-N 0 0 329.759 2.867 10 5 EFBERN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1F ZINC000611501770 479397485 /nfs/dbraw/zinc/39/74/85/479397485.db2.gz IEIUGKXONBKFOQ-YPMHNXCESA-N 0 0 337.351 2.573 10 5 EFBERN C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1F ZINC000611502629 479397521 /nfs/dbraw/zinc/39/75/21/479397521.db2.gz WMDGGFCSDVWPSO-GXSJLCMTSA-N 0 0 329.759 2.867 10 5 EFBERN CCC[C@H](C)S(=O)(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593597112 479397577 /nfs/dbraw/zinc/39/75/77/479397577.db2.gz VZCDKHHRMXWSPC-NSHDSACASA-N 0 0 339.417 2.727 10 5 EFBERN CCOc1ccc(NC(=O)CN2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000611502744 479397745 /nfs/dbraw/zinc/39/77/45/479397745.db2.gz XPMKYHXLGMUHKD-AAEUAGOBSA-N 0 0 339.367 2.612 10 5 EFBERN C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1F ZINC000611502835 479397833 /nfs/dbraw/zinc/39/78/33/479397833.db2.gz YWTWPFUYYKUSNQ-JOYOIKCWSA-N 0 0 329.759 2.867 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CO[C@H](C2CC2)C1 ZINC000599701291 479398001 /nfs/dbraw/zinc/39/80/01/479398001.db2.gz DOOXVUSNXVFGMU-RNCFNFMXSA-N 0 0 325.752 2.937 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1F ZINC000611506583 479399218 /nfs/dbraw/zinc/39/92/18/479399218.db2.gz OURNFFSAUOYLPT-NOZJJQNGSA-N 0 0 333.319 2.669 10 5 EFBERN C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1F ZINC000611506718 479399568 /nfs/dbraw/zinc/39/95/68/479399568.db2.gz QJLVTMCICGJUAT-DGCLKSJQSA-N 0 0 332.335 2.601 10 5 EFBERN C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1F ZINC000611506898 479399671 /nfs/dbraw/zinc/39/96/71/479399671.db2.gz SYDVTJCEBCRUGD-FZMZJTMJSA-N 0 0 332.335 2.601 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000603548970 479402803 /nfs/dbraw/zinc/40/28/03/479402803.db2.gz WPYOENQBSJOQMM-UHFFFAOYSA-N 0 0 347.415 2.624 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1COc2cc(F)ccc2C1 ZINC000599718708 479405719 /nfs/dbraw/zinc/40/57/19/479405719.db2.gz USZMCZOSXVFEQA-CQSZACIVSA-N 0 0 344.342 2.644 10 5 EFBERN CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611543811 479410987 /nfs/dbraw/zinc/41/09/87/479410987.db2.gz ZQEKUFSSQRQZOD-MRXNPFEDSA-N 0 0 328.372 2.724 10 5 EFBERN COc1ccc(CNC(=O)N[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588297590 479414132 /nfs/dbraw/zinc/41/41/32/479414132.db2.gz OWBRZLNBDQVGBY-GFCCVEGCSA-N 0 0 329.303 2.590 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593666810 479417057 /nfs/dbraw/zinc/41/70/57/479417057.db2.gz VRFRQABNDMKTPJ-CYBMUJFWSA-N 0 0 346.355 2.631 10 5 EFBERN COc1cccc(C(=O)Nc2nc3ccccc3c(=O)[nH]2)c1[N+](=O)[O-] ZINC000575200379 479419311 /nfs/dbraw/zinc/41/93/11/479419311.db2.gz FHOCCZIAPITPQD-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611571504 479419534 /nfs/dbraw/zinc/41/95/34/479419534.db2.gz IRNPPBFSLBEEJI-UHFFFAOYSA-N 0 0 332.404 2.617 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000611577295 479421776 /nfs/dbraw/zinc/42/17/76/479421776.db2.gz IKKLOQWXPIOMAC-CYBMUJFWSA-N 0 0 343.330 2.551 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611576862 479421809 /nfs/dbraw/zinc/42/18/09/479421809.db2.gz FYSFGQZVYPNGIS-NSHDSACASA-N 0 0 329.303 2.508 10 5 EFBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000611576671 479422381 /nfs/dbraw/zinc/42/23/81/479422381.db2.gz CWLIBVHBTWOZCA-GXFFZTMASA-N 0 0 343.330 2.625 10 5 EFBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](OC(F)F)C1 ZINC000611576831 479422427 /nfs/dbraw/zinc/42/24/27/479422427.db2.gz FMMPJFKDCPRYAJ-GWCFXTLKSA-N 0 0 343.330 2.625 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000596775731 479423645 /nfs/dbraw/zinc/42/36/45/479423645.db2.gz DJKWUHJOBFEGSA-SJORKVTESA-N 0 0 340.379 2.983 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](OC(F)F)C1 ZINC000611581560 479424092 /nfs/dbraw/zinc/42/40/92/479424092.db2.gz DFLSSSLSHPDTGR-LBPRGKRZSA-N 0 0 343.330 2.551 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCC[C@H](OC(F)F)C2)c2c(c1)COCO2 ZINC000611579923 479424662 /nfs/dbraw/zinc/42/46/62/479424662.db2.gz ZUFMJLZRBPQXEP-ZDUSSCGKSA-N 0 0 344.314 2.665 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CCF)C1 ZINC000599786639 479424911 /nfs/dbraw/zinc/42/49/11/479424911.db2.gz JFGRKZRKZQCGTF-ZDUSSCGKSA-N 0 0 325.340 2.750 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H](OC(F)F)C1 ZINC000611584995 479425510 /nfs/dbraw/zinc/42/55/10/479425510.db2.gz ADLXCQDSQRVDHT-JTQLQIEISA-N 0 0 339.298 2.920 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599789879 479425800 /nfs/dbraw/zinc/42/58/00/479425800.db2.gz MJDZISOJWBZZTQ-DDIVZENXSA-N 0 0 337.376 2.927 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OC(F)F)C1 ZINC000611586887 479425819 /nfs/dbraw/zinc/42/58/19/479425819.db2.gz QXPMAPMWYJUXHZ-NSHDSACASA-N 0 0 346.355 2.917 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H](OC(F)F)C1 ZINC000611584996 479425850 /nfs/dbraw/zinc/42/58/50/479425850.db2.gz ADLXCQDSQRVDHT-SNVBAGLBSA-N 0 0 339.298 2.920 10 5 EFBERN Cn1ccnc1[C@@H](NCCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593692463 479425799 /nfs/dbraw/zinc/42/57/99/479425799.db2.gz ZFCADAKQKGAQJA-INIZCTEOSA-N 0 0 344.415 2.560 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599787653 479425981 /nfs/dbraw/zinc/42/59/81/479425981.db2.gz XBACDMKLIZQGFR-SUMWQHHRSA-N 0 0 333.388 2.784 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](CCF)C1 ZINC000599792477 479426778 /nfs/dbraw/zinc/42/67/78/479426778.db2.gz VWSOPWUXBQCMRS-GFCCVEGCSA-N 0 0 325.340 2.804 10 5 EFBERN COc1cc(CN2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000593695552 479426800 /nfs/dbraw/zinc/42/68/00/479426800.db2.gz QOTICLFVINQBBG-CQSZACIVSA-N 0 0 328.315 2.843 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000599790389 479427009 /nfs/dbraw/zinc/42/70/09/479427009.db2.gz PDENDMBXIRJTOW-HWPZZCPQSA-N 0 0 335.360 2.683 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000596788943 479428590 /nfs/dbraw/zinc/42/85/90/479428590.db2.gz XXTIDAQGMDSIJI-KRWDZBQOSA-N 0 0 333.388 2.980 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593704519 479429540 /nfs/dbraw/zinc/42/95/40/479429540.db2.gz MNBDQNKKRPJDQP-UHFFFAOYSA-N 0 0 344.342 2.661 10 5 EFBERN Nc1c(NC(=O)NCC[C@H]2CCCOC2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800994 479429528 /nfs/dbraw/zinc/42/95/28/479429528.db2.gz NLLOGEBYNMJIQJ-SECBINFHSA-N 0 0 342.783 2.769 10 5 EFBERN CCO[C@@]1(C)C[C@H]1NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599800577 479429639 /nfs/dbraw/zinc/42/96/39/479429639.db2.gz KWIVNIKBJNQXDZ-MFKMUULPSA-N 0 0 328.756 2.519 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000611616256 479430180 /nfs/dbraw/zinc/43/01/80/479430180.db2.gz CHMGPAXLVOFETQ-LBPRGKRZSA-N 0 0 330.392 2.748 10 5 EFBERN CCc1cnc(N2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)s1 ZINC000611616728 479430434 /nfs/dbraw/zinc/43/04/34/479430434.db2.gz AAUNUJNAGHKXLH-UHFFFAOYSA-N 0 0 347.444 2.952 10 5 EFBERN CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000611616690 479430443 /nfs/dbraw/zinc/43/04/43/479430443.db2.gz DRRFXCXYULSNLH-GJZGRUSLSA-N 0 0 334.420 2.832 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(C3CCCCC3)C2=O)n1 ZINC000611617309 479430667 /nfs/dbraw/zinc/43/06/67/479430667.db2.gz WGFZHJBFTCRLHT-CQSZACIVSA-N 0 0 332.404 2.952 10 5 EFBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCc2ncccc2C1 ZINC000611618275 479430788 /nfs/dbraw/zinc/43/07/88/479430788.db2.gz BSNCGAGUTSMJKQ-UHFFFAOYSA-N 0 0 349.293 2.790 10 5 EFBERN COc1ccc(CN2CCN(C(=O)CC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000603835909 479434659 /nfs/dbraw/zinc/43/46/59/479434659.db2.gz LQRYANMOPZZOMI-UHFFFAOYSA-N 0 0 349.431 2.684 10 5 EFBERN CCOC(=O)Cc1csc(Sc2cccnc2[N+](=O)[O-])n1 ZINC000603842788 479435790 /nfs/dbraw/zinc/43/57/90/479435790.db2.gz DZQYHDQSUMUGMS-UHFFFAOYSA-N 0 0 325.371 2.703 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@@H](C)[C@H]2C)c1 ZINC000593729468 479436304 /nfs/dbraw/zinc/43/63/04/479436304.db2.gz FOSLXNVEDQZONE-DGCLKSJQSA-N 0 0 328.372 2.628 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]2C)c1 ZINC000593729470 479436720 /nfs/dbraw/zinc/43/67/20/479436720.db2.gz FOSLXNVEDQZONE-YPMHNXCESA-N 0 0 328.372 2.628 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C12CCC2 ZINC000596818002 479440060 /nfs/dbraw/zinc/44/00/60/479440060.db2.gz XIJLUUVMSKSIKN-ZIAGYGMSSA-N 0 0 348.403 2.660 10 5 EFBERN CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C12CCC2 ZINC000596818001 479440347 /nfs/dbraw/zinc/44/03/47/479440347.db2.gz XIJLUUVMSKSIKN-UONOGXRCSA-N 0 0 348.403 2.660 10 5 EFBERN C[C@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC000599828512 479440869 /nfs/dbraw/zinc/44/08/69/479440869.db2.gz ITHRTGLIUDJIBA-SSDOTTSWSA-N 0 0 330.266 2.676 10 5 EFBERN C[C@@H]1CN(c2ccc(CNc3cccnc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000603858447 479441454 /nfs/dbraw/zinc/44/14/54/479441454.db2.gz CUJXYLGUAHGLLV-BETUJISGSA-N 0 0 343.387 2.611 10 5 EFBERN CCC[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830345 479442003 /nfs/dbraw/zinc/44/20/03/479442003.db2.gz QYKHNIJQEQRODY-MRXNPFEDSA-N 0 0 332.360 2.816 10 5 EFBERN COC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599829670 479442322 /nfs/dbraw/zinc/44/23/22/479442322.db2.gz BGVQNMLFKNFYMN-UHFFFAOYSA-N 0 0 330.344 2.786 10 5 EFBERN CCOC(=O)CCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831361 479443007 /nfs/dbraw/zinc/44/30/07/479443007.db2.gz RXBPMELSXVBLFF-UHFFFAOYSA-N 0 0 346.343 2.608 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1c1ccccc1 ZINC000596825467 479443640 /nfs/dbraw/zinc/44/36/40/479443640.db2.gz RFZLXVZPDDDNKR-JKSUJKDBSA-N 0 0 326.352 2.641 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@@H](CCO)C1 ZINC000599830917 479443698 /nfs/dbraw/zinc/44/36/98/479443698.db2.gz ZJUPKSUSWNIKCS-LBPRGKRZSA-N 0 0 344.371 2.769 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H](C)O1 ZINC000599830475 479443867 /nfs/dbraw/zinc/44/38/67/479443867.db2.gz JDUUPIYBCKJPKY-PHIMTYICSA-N 0 0 330.344 2.784 10 5 EFBERN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599832790 479444219 /nfs/dbraw/zinc/44/42/19/479444219.db2.gz JUCGUZBCIQHFAR-WDEREUQCSA-N 0 0 330.344 2.832 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599832787 479444361 /nfs/dbraw/zinc/44/43/61/479444361.db2.gz JUCGUZBCIQHFAR-GHMZBOCLSA-N 0 0 330.344 2.832 10 5 EFBERN CC(C)c1ccc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000588816539 479444576 /nfs/dbraw/zinc/44/45/76/479444576.db2.gz WQALVOZAHPNLMF-HOTGVXAUSA-N 0 0 349.406 2.977 10 5 EFBERN C/C=C/C[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833633 479444613 /nfs/dbraw/zinc/44/46/13/479444613.db2.gz VZBSQZBOEXQNAS-KXMPLOMGSA-N 0 0 330.344 2.592 10 5 EFBERN C[C@H](CO)CCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832628 479445029 /nfs/dbraw/zinc/44/50/29/479445029.db2.gz GTHSGHFXRJSTLI-NSHDSACASA-N 0 0 332.360 2.673 10 5 EFBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@]1(C)CO ZINC000599834995 479445359 /nfs/dbraw/zinc/44/53/59/479445359.db2.gz RIBRNFFDCXWMPF-GTNSWQLSSA-N 0 0 344.371 2.625 10 5 EFBERN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1CO ZINC000599834925 479445571 /nfs/dbraw/zinc/44/55/71/479445571.db2.gz PHRZOMZZRKVASG-RYUDHWBXSA-N 0 0 344.371 2.625 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC2(C1)CCCO2 ZINC000599834393 479445855 /nfs/dbraw/zinc/44/58/55/479445855.db2.gz IHFPUWUCTMZGQR-UHFFFAOYSA-N 0 0 328.328 2.540 10 5 EFBERN C[C@@H](O)CN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599834957 479446019 /nfs/dbraw/zinc/44/60/19/479446019.db2.gz QDVNBRCCWHLBHG-SNVBAGLBSA-N 0 0 330.344 2.520 10 5 EFBERN COCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599834905 479446026 /nfs/dbraw/zinc/44/60/26/479446026.db2.gz OUJXXZZPKBOOLK-UHFFFAOYSA-N 0 0 330.344 2.691 10 5 EFBERN C[C@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599836811 479446990 /nfs/dbraw/zinc/44/69/90/479446990.db2.gz ZKAZYDGRPDMCKK-KRWDZBQOSA-N 0 0 344.371 2.912 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(O)(C1CC1)C1CC1 ZINC000596836801 479447341 /nfs/dbraw/zinc/44/73/41/479447341.db2.gz NXELKVWDIDSVIU-UHFFFAOYSA-N 0 0 333.388 2.884 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@@H]2COC[C@@H]21 ZINC000599840268 479449679 /nfs/dbraw/zinc/44/96/79/479449679.db2.gz QYZWUBVONXESDO-BZNIZROVSA-N 0 0 342.355 2.786 10 5 EFBERN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC12CCCC2 ZINC000593758357 479449924 /nfs/dbraw/zinc/44/99/24/479449924.db2.gz SUVBVFRJHDJUTE-UHFFFAOYSA-N 0 0 326.356 2.939 10 5 EFBERN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC000593757365 479450128 /nfs/dbraw/zinc/45/01/28/479450128.db2.gz RQUZSODQFYZKEJ-CQSZACIVSA-N 0 0 335.314 2.626 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCC[C@H](CO)C1 ZINC000599841324 479450237 /nfs/dbraw/zinc/45/02/37/479450237.db2.gz XRQYZMZNHGUKSW-RYUDHWBXSA-N 0 0 344.371 2.816 10 5 EFBERN C[C@H]1[C@H](CO)CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599840849 479450647 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ZINC000590553537 479658835 /nfs/dbraw/zinc/65/88/35/479658835.db2.gz QLMOGWARUDLAOE-LBPRGKRZSA-N 0 0 331.294 2.950 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]2C(F)(F)F)c1 ZINC000590553560 479658836 /nfs/dbraw/zinc/65/88/36/479658836.db2.gz SERQJTORDFFUJP-GFCCVEGCSA-N 0 0 332.278 2.835 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ccccn2)C1 ZINC000590566230 479660511 /nfs/dbraw/zinc/66/05/11/479660511.db2.gz VVTSDTOWQJEUIU-CQSZACIVSA-N 0 0 340.383 2.808 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000590581300 479662981 /nfs/dbraw/zinc/66/29/81/479662981.db2.gz KTOYBQXESWPEFT-SNVBAGLBSA-N 0 0 330.768 2.854 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](C)[C@H](CO)SC)ccc1[N+](=O)[O-] ZINC000590585896 479663565 /nfs/dbraw/zinc/66/35/65/479663565.db2.gz SUDZLWBRJHXNJM-XCBNKYQSSA-N 0 0 348.808 2.559 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC(=O)C1 ZINC000579126281 479664341 /nfs/dbraw/zinc/66/43/41/479664341.db2.gz XFXXZXNZSKCQKP-SSDOTTSWSA-N 0 0 327.134 2.665 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]1C(F)(F)F ZINC000590602232 479668133 /nfs/dbraw/zinc/66/81/33/479668133.db2.gz ULYXWHYJVYNPCJ-LBPRGKRZSA-N 0 0 331.294 2.868 10 5 EFBERN C[C@H]1CC[N@H+](CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000579244542 479678580 /nfs/dbraw/zinc/67/85/80/479678580.db2.gz ORVYRRPCCGGTDN-LRDDRELGSA-N 0 0 335.429 2.511 10 5 EFBERN C[C@@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612538925 479688809 /nfs/dbraw/zinc/68/88/09/479688809.db2.gz BEPACDPAIGHSQL-OCCSQVGLSA-N 0 0 346.362 2.898 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(=O)cc[nH]c2c1 ZINC000619244622 479728477 /nfs/dbraw/zinc/72/84/77/479728477.db2.gz LXNKXYVEYJIIHC-UHFFFAOYSA-N 0 0 337.335 2.675 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000619252426 479733299 /nfs/dbraw/zinc/73/32/99/479733299.db2.gz LCWOOPBNMXCOMZ-NEPJUHHUSA-N 0 0 341.770 2.507 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@H](O)CC(F)(F)C1 ZINC000615730314 479745732 /nfs/dbraw/zinc/74/57/32/479745732.db2.gz FOBJTTCZCFVFQN-MRVPVSSYSA-N 0 0 326.221 2.820 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nccn2c1 ZINC000619291574 479747253 /nfs/dbraw/zinc/74/72/53/479747253.db2.gz FHPBNNHCDLVKKA-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(c3cccnc3)CC2)c1 ZINC000612795253 479764629 /nfs/dbraw/zinc/76/46/29/479764629.db2.gz KGKKXWFBKQZTQL-UHFFFAOYSA-N 0 0 347.396 2.558 10 5 EFBERN CC(C)c1ccc(C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000615890062 479778322 /nfs/dbraw/zinc/77/83/22/479778322.db2.gz LVBKDQKHLDJJQA-NSHDSACASA-N 0 0 328.315 2.560 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc4ccccc4n3)no2)n1 ZINC000612893529 479794260 /nfs/dbraw/zinc/79/42/60/479794260.db2.gz BOICOZFZDBEESP-UHFFFAOYSA-N 0 0 336.311 2.517 10 5 EFBERN Cc1c(Br)c(N2CC([C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC000619501623 479813482 /nfs/dbraw/zinc/81/34/82/479813482.db2.gz GHLPOZARDMOSIC-SECBINFHSA-N 0 0 342.193 2.533 10 5 EFBERN COc1cccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3C)n2)n1 ZINC000612978372 479826174 /nfs/dbraw/zinc/82/61/74/479826174.db2.gz OZXVNRQYBWGTST-UHFFFAOYSA-N 0 0 326.312 2.948 10 5 EFBERN CN(Cc1nc2ccccc2s1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000619570257 479831235 /nfs/dbraw/zinc/83/12/35/479831235.db2.gz KXSNBLLITFRBIF-UHFFFAOYSA-N 0 0 344.396 2.915 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1coc(C(F)(F)F)n1 ZINC000616176313 479844540 /nfs/dbraw/zinc/84/45/40/479844540.db2.gz ZITOZEWVTDXOQJ-UHFFFAOYSA-N 0 0 329.234 2.874 10 5 EFBERN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000613062714 479858619 /nfs/dbraw/zinc/85/86/19/479858619.db2.gz RTRKBVALNRLYEH-LLVKDONJSA-N 0 0 333.367 2.903 10 5 EFBERN CCc1ccc(C(=O)N2CCOc3ncccc3C2)cc1[N+](=O)[O-] ZINC000613079641 479861734 /nfs/dbraw/zinc/86/17/34/479861734.db2.gz DZKIXLAHSNKENZ-UHFFFAOYSA-N 0 0 327.340 2.587 10 5 EFBERN Cc1c(NC(=O)N2CCOc3ncccc3C2)cccc1[N+](=O)[O-] ZINC000613084600 479863979 /nfs/dbraw/zinc/86/39/79/479863979.db2.gz VSRQYHVDTXIEOS-UHFFFAOYSA-N 0 0 328.328 2.725 10 5 EFBERN COC(=O)c1ccc(OC)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000609445186 480160366 /nfs/dbraw/zinc/16/03/66/480160366.db2.gz HXMXPQCUTWGTII-UHFFFAOYSA-N 0 0 344.323 2.951 10 5 EFBERN COC(=O)c1ccc(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000609446559 480162101 /nfs/dbraw/zinc/16/21/01/480162101.db2.gz JIFWNULFULRBOM-UHFFFAOYSA-N 0 0 344.323 2.951 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000614003737 480164330 /nfs/dbraw/zinc/16/43/30/480164330.db2.gz IUWHCQVWLCWRHG-QGZVFWFLSA-N 0 0 327.340 2.585 10 5 EFBERN COC(=O)[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000609483486 480164891 /nfs/dbraw/zinc/16/48/91/480164891.db2.gz MQOBIWJXRBMOLG-ZDUSSCGKSA-N 0 0 334.353 2.597 10 5 EFBERN CCOc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)CCO2 ZINC000614034867 480171685 /nfs/dbraw/zinc/17/16/85/480171685.db2.gz JIDKLTYGEWOUGN-AWEZNQCLSA-N 0 0 343.339 2.642 10 5 EFBERN COc1cc(C(=O)Nc2ccc3nccn3c2)c([N+](=O)[O-])cc1OC ZINC000609619446 480188116 /nfs/dbraw/zinc/18/81/16/480188116.db2.gz SHTRRSHXQUCLKB-UHFFFAOYSA-N 0 0 342.311 2.512 10 5 EFBERN C[C@H]1[C@@H](C(F)(F)F)CCCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000614150259 480206728 /nfs/dbraw/zinc/20/67/28/480206728.db2.gz NIPHZFIHIHRXJD-KWQFWETISA-N 0 0 333.310 2.837 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1nccs1 ZINC000609982364 480223871 /nfs/dbraw/zinc/22/38/71/480223871.db2.gz RDGARQUTTSTJME-NSHDSACASA-N 0 0 349.368 2.704 10 5 EFBERN CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nccs1 ZINC000609979901 480224303 /nfs/dbraw/zinc/22/43/03/480224303.db2.gz PSRYZLHDPDPZRP-SECBINFHSA-N 0 0 335.341 2.661 10 5 EFBERN COc1ccc(-c2ccc(CNCc3ncc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000610150888 480245589 /nfs/dbraw/zinc/24/55/89/480245589.db2.gz HTQUSFCSAKILAJ-UHFFFAOYSA-N 0 0 328.328 2.876 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)cn2)cc1OC ZINC000610244709 480258482 /nfs/dbraw/zinc/25/84/82/480258482.db2.gz GTSSSJIQRGRIPN-UHFFFAOYSA-N 0 0 347.327 2.658 10 5 EFBERN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000610266886 480266498 /nfs/dbraw/zinc/26/64/98/480266498.db2.gz OPCBYWRUXCNYBV-AWEZNQCLSA-N 0 0 347.396 2.810 10 5 EFBERN COc1cc(N2CCN(C(=O)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000610273070 480266930 /nfs/dbraw/zinc/26/69/30/480266930.db2.gz GNXMKVASNKUPBK-UHFFFAOYSA-N 0 0 335.404 2.688 10 5 EFBERN Cc1cc(S(=O)(=O)Nc2c(O)cccc2F)ccc1[N+](=O)[O-] ZINC000610335921 480282821 /nfs/dbraw/zinc/28/28/21/480282821.db2.gz DDVYZBZTVXUTKA-UHFFFAOYSA-N 0 0 326.305 2.549 10 5 EFBERN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)O ZINC000610430181 480303565 /nfs/dbraw/zinc/30/35/65/480303565.db2.gz HORZXDZBAJBSSU-SECBINFHSA-N 0 0 335.385 2.608 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610450867 480309663 /nfs/dbraw/zinc/30/96/63/480309663.db2.gz LJJUMPBDHVMLNL-SWLSCSKDSA-N 0 0 336.388 2.698 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC(c3nnc4n3CCC4)CC2)c(F)c1 ZINC000610476339 480315508 /nfs/dbraw/zinc/31/55/08/480315508.db2.gz NSSCONGXGMKCEQ-UHFFFAOYSA-N 0 0 345.378 2.651 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)c1ccncc1 ZINC000610518404 480327839 /nfs/dbraw/zinc/32/78/39/480327839.db2.gz KYIHBEAMIRPSKZ-GFCCVEGCSA-N 0 0 349.412 2.634 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)c2ccncc2)c1C ZINC000610518503 480328356 /nfs/dbraw/zinc/32/83/56/480328356.db2.gz VQTDIDYJSUCJNX-LBPRGKRZSA-N 0 0 349.412 2.689 10 5 EFBERN C[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000617703003 480330516 /nfs/dbraw/zinc/33/05/16/480330516.db2.gz VDWXXDWTKRSDIV-SNVBAGLBSA-N 0 0 341.323 2.668 10 5 EFBERN COc1cc(C(=O)NC[C@@H](C)c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000610526742 480330694 /nfs/dbraw/zinc/33/06/94/480330694.db2.gz UMJZNKMPKCMDKW-LLVKDONJSA-N 0 0 345.355 2.541 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)c1ccncc1 ZINC000610528824 480330945 /nfs/dbraw/zinc/33/09/45/480330945.db2.gz CELRKFWWVBFCPY-LBPRGKRZSA-N 0 0 344.371 2.601 10 5 EFBERN C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610528919 480331076 /nfs/dbraw/zinc/33/10/76/480331076.db2.gz PEYFLYCLJKNAHL-CYBMUJFWSA-N 0 0 328.372 2.635 10 5 EFBERN C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610530499 480332245 /nfs/dbraw/zinc/33/22/45/480332245.db2.gz OLCXVVIUJYEOPT-ZDUSSCGKSA-N 0 0 328.372 2.935 10 5 EFBERN COC(=O)c1cncc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000617751287 480351731 /nfs/dbraw/zinc/35/17/31/480351731.db2.gz DLRIOLYHKOQQMA-SNVBAGLBSA-N 0 0 329.312 2.519 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2ccnc2)C1 ZINC000610667833 480360399 /nfs/dbraw/zinc/36/03/99/480360399.db2.gz FVERAODOGZBPLY-INIZCTEOSA-N 0 0 328.372 2.588 10 5 EFBERN CC(C)(C)OCCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610681981 480364103 /nfs/dbraw/zinc/36/41/03/480364103.db2.gz ALVWNHIHQAWHQO-UHFFFAOYSA-N 0 0 349.431 2.558 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2COCC[C@@H]21 ZINC000610689522 480365300 /nfs/dbraw/zinc/36/53/00/480365300.db2.gz WSVAAVHDZQAJGU-YOEHRIQHSA-N 0 0 347.415 2.814 10 5 EFBERN CNC(=O)c1ccc(NCC(C)(C)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000610716734 480373064 /nfs/dbraw/zinc/37/30/64/480373064.db2.gz PJTLHMOSDXBUSH-OAHLLOKOSA-N 0 0 335.404 2.962 10 5 EFBERN CNc1ccc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000610719651 480373898 /nfs/dbraw/zinc/37/38/98/480373898.db2.gz ISQKCRDYTZDNAB-HNNXBMFYSA-N 0 0 335.404 2.962 10 5 EFBERN CC(C)(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000610719300 480374220 /nfs/dbraw/zinc/37/42/20/480374220.db2.gz WRMUXSPJWJLZTG-HNNXBMFYSA-N 0 0 335.404 2.989 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000618249866 480586910 /nfs/dbraw/zinc/58/69/10/480586910.db2.gz HGEJPGKJFKNHOO-AWEZNQCLSA-N 0 0 326.352 2.896 10 5 EFBERN Cc1sc(C(=O)NCCCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000047135772 501016322 /nfs/dbraw/zinc/01/63/22/501016322.db2.gz WOOXDQMHJYIFQE-UHFFFAOYSA-N 0 0 339.339 2.579 10 5 EFBERN CSC[C@@H]1CCCN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000185264090 533748651 /nfs/dbraw/zinc/74/86/51/533748651.db2.gz NUMAKMWBWCHWHU-JTQLQIEISA-N 0 0 348.421 2.558 10 5 EFBERN COc1cc(CCNc2ccnc(C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC000171812912 533769941 /nfs/dbraw/zinc/76/99/41/533769941.db2.gz IFAVCRBWSYJQJP-UHFFFAOYSA-N 0 0 344.371 2.934 10 5 EFBERN COC(=O)c1cc(N[C@H](CCO)c2ccco2)cc(C)c1[N+](=O)[O-] ZINC000184344425 533895916 /nfs/dbraw/zinc/89/59/16/533895916.db2.gz FMLFLLSDGLTQGS-CYBMUJFWSA-N 0 0 334.328 2.818 10 5 EFBERN COc1ccc(N(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000136767295 533972705 /nfs/dbraw/zinc/97/27/05/533972705.db2.gz IZIDDNICHFKLQM-JTQLQIEISA-N 0 0 330.344 2.772 10 5 EFBERN C[C@@H](COCc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175169974 534158062 /nfs/dbraw/zinc/15/80/62/534158062.db2.gz VRUROFZCCFHSKS-AWEZNQCLSA-N 0 0 343.383 2.999 10 5 EFBERN COC(=O)c1coc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000185220697 534312894 /nfs/dbraw/zinc/31/28/94/534312894.db2.gz NSNBRVMRLYJVRS-UHFFFAOYSA-N 0 0 344.323 2.779 10 5 EFBERN COc1ccc(NC(=O)N(C)Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000432427194 518155327 /nfs/dbraw/zinc/15/53/27/518155327.db2.gz BMECBXIYCGYNNP-UHFFFAOYSA-N 0 0 330.344 2.971 10 5 EFBERN CC(=O)c1ccc(N2CCC[C@@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])c1 ZINC000192756778 518344575 /nfs/dbraw/zinc/34/45/75/518344575.db2.gz DMPGTKKGHYFWBM-CYBMUJFWSA-N 0 0 341.371 2.554 10 5 EFBERN CC(=O)c1cccc(OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000057690075 518449339 /nfs/dbraw/zinc/44/93/39/518449339.db2.gz GZGRLWOGAMCJLN-UHFFFAOYSA-N 0 0 340.335 2.766 10 5 EFBERN CC(C)(C(=O)N[C@@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000356260285 534360758 /nfs/dbraw/zinc/36/07/58/534360758.db2.gz VNTFTYHBRNFJDJ-AWEZNQCLSA-N 0 0 334.397 2.784 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000119333999 518854441 /nfs/dbraw/zinc/85/44/41/518854441.db2.gz CCOZRXXISSHQFH-AWEZNQCLSA-N 0 0 348.399 2.718 10 5 EFBERN CC(C)(C(=O)Nc1ncc(C(F)(F)F)s1)n1cc([N+](=O)[O-])cn1 ZINC000355888898 534383377 /nfs/dbraw/zinc/38/33/77/534383377.db2.gz GOCFSFDFEVIEPS-UHFFFAOYSA-N 0 0 349.294 2.640 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(c2ccccc2)CC1 ZINC000183590074 534424472 /nfs/dbraw/zinc/42/44/72/534424472.db2.gz UOXGDQXDFGTDHL-UHFFFAOYSA-N 0 0 341.371 2.780 10 5 EFBERN CC(=O)N(C)c1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000073361536 519455848 /nfs/dbraw/zinc/45/58/48/519455848.db2.gz DWSNYXFHLHMXGR-UHFFFAOYSA-N 0 0 342.355 2.628 10 5 EFBERN CC(C)CCn1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)nn1 ZINC000128812040 519701868 /nfs/dbraw/zinc/70/18/68/519701868.db2.gz SFERNDUCHTZBNB-LBPRGKRZSA-N 0 0 343.387 2.824 10 5 EFBERN CC(C)NC(=O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180011969 519708475 /nfs/dbraw/zinc/70/84/75/519708475.db2.gz IWCIKLPRSIKENK-SFHVURJKSA-N 0 0 327.384 2.798 10 5 EFBERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000151743772 519870960 /nfs/dbraw/zinc/87/09/60/519870960.db2.gz WVHWHKAZFQDQAK-GFCCVEGCSA-N 0 0 347.350 2.714 10 5 EFBERN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](C)c1cccnc1 ZINC000181965968 520071653 /nfs/dbraw/zinc/07/16/53/520071653.db2.gz MZRNSSHMFKBPAT-LLVKDONJSA-N 0 0 343.339 2.942 10 5 EFBERN CCNc1ccc(Cl)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000183153298 520315416 /nfs/dbraw/zinc/31/54/16/520315416.db2.gz INLFSPFDMRGGFC-UHFFFAOYSA-N 0 0 337.767 2.905 10 5 EFBERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C12CCC2 ZINC000132966203 520342178 /nfs/dbraw/zinc/34/21/78/520342178.db2.gz KMHATZNJUPXGDB-HUUCEWRRSA-N 0 0 333.388 2.718 10 5 EFBERN CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000341328296 534499225 /nfs/dbraw/zinc/49/92/25/534499225.db2.gz KRXHIHKIIVYAQN-LBPRGKRZSA-N 0 0 341.367 2.722 10 5 EFBERN CCOC(=O)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000180479440 520665660 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CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C(/C)C1CC1 ZINC001273283522 1265473961 /nfs/dbraw/zinc/47/39/61/1265473961.db2.gz RQAVQOFEXDSHDS-OWBHPGMISA-N 0 0 331.416 2.889 10 5 EFBERN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1C[C@H](O)c3ccccc31)OCCO2 ZINC000850371566 1250452613 /nfs/dbraw/zinc/45/26/13/1250452613.db2.gz KUHCRTBVKGPSDA-ZBFHGGJFSA-N 0 0 342.351 2.634 10 5 EFBERN COc1cc(CN[C@H]2C[C@@H](O)c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000850372491 1250453185 /nfs/dbraw/zinc/45/31/85/1250453185.db2.gz VJDRHBZMOBCKES-GOEBONIOSA-N 0 0 344.367 2.880 10 5 EFBERN COc1cc(CN[C@@H]2C[C@@H](O)c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000850372490 1250453251 /nfs/dbraw/zinc/45/32/51/1250453251.db2.gz VJDRHBZMOBCKES-GDBMZVCRSA-N 0 0 344.367 2.880 10 5 EFBERN O=[N+]([O-])c1cccc(Br)c1CN[C@H]1C[C@H](O)C12CCC2 ZINC000850388131 1250459656 /nfs/dbraw/zinc/45/96/56/1250459656.db2.gz IGBTXWAYFYLZTA-STQMWFEESA-N 0 0 341.205 2.750 10 5 EFBERN COc1ccc(OC(=O)[C@@H]2COC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000850986398 1250728926 /nfs/dbraw/zinc/72/89/26/1250728926.db2.gz RHTODFHAGWYFSN-HUUCEWRRSA-N 0 0 343.335 2.939 10 5 EFBERN CO[C@@H]1CC[C@@H](C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000851035536 1250766036 /nfs/dbraw/zinc/76/60/36/1250766036.db2.gz QDESCTGNJYSJOM-OIISXLGYSA-N 0 0 348.399 2.527 10 5 EFBERN O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000851036881 1250766830 /nfs/dbraw/zinc/76/68/30/1250766830.db2.gz ORTZQHFWCRNFRN-WDNDVIMCSA-N 0 0 346.364 2.654 10 5 EFBERN Cc1ccc(COC(=O)c2ccnn2C2CCOCC2)cc1[N+](=O)[O-] ZINC000851055177 1250777624 /nfs/dbraw/zinc/77/76/24/1250777624.db2.gz UWXGVHYZOGWFJU-UHFFFAOYSA-N 0 0 345.355 2.808 10 5 EFBERN O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000851224517 1250870013 /nfs/dbraw/zinc/87/00/13/1250870013.db2.gz HZFSGSJYSJIIOU-BTTYYORXSA-N 0 0 346.383 2.634 10 5 EFBERN COC[C@@H](C)Oc1ccc(COC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000851390385 1250967279 /nfs/dbraw/zinc/96/72/79/1250967279.db2.gz RGOCDEFGDZUPKW-GFCCVEGCSA-N 0 0 346.339 2.761 10 5 EFBERN Cc1ncc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000851450675 1251007282 /nfs/dbraw/zinc/00/72/82/1251007282.db2.gz UPAOPPYZONHGOE-UHFFFAOYSA-N 0 0 345.355 2.851 10 5 EFBERN CCOc1cncc(COC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000851528063 1251057464 /nfs/dbraw/zinc/05/74/64/1251057464.db2.gz XVDNIKAWRJEJLT-UHFFFAOYSA-N 0 0 345.355 2.934 10 5 EFBERN CNC(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000586628879 1251268707 /nfs/dbraw/zinc/26/87/07/1251268707.db2.gz LTMHFRFUJDONJZ-UHFFFAOYSA-N 0 0 328.328 2.907 10 5 EFBERN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1csc([N+](=O)[O-])c1 ZINC000922361462 1265779241 /nfs/dbraw/zinc/77/92/41/1265779241.db2.gz BZSXWVYVZAJRBG-JGVFFNPUSA-N 0 0 325.264 2.923 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCC[C@H]1CCOC1=O ZINC000923594348 1265929212 /nfs/dbraw/zinc/92/92/12/1265929212.db2.gz JKSSZLYXXRJTSM-NSHDSACASA-N 0 0 341.747 2.677 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC001127741016 1255450032 /nfs/dbraw/zinc/45/00/32/1255450032.db2.gz SGEHVFSNLLZFJI-MRXNPFEDSA-N 0 0 343.358 2.959 10 5 EFBERN Cc1ncc(CC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)o1 ZINC001127742244 1255463899 /nfs/dbraw/zinc/46/38/99/1255463899.db2.gz FAGYESUXESPFJK-UHFFFAOYSA-N 0 0 340.133 2.835 10 5 EFBERN COC(=O)c1ccc(OC(=O)c2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC001127815788 1256336223 /nfs/dbraw/zinc/33/62/23/1256336223.db2.gz XWXBMERBLMEYPT-UHFFFAOYSA-N 0 0 345.311 2.522 10 5 EFBERN O=C(OCc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCC[C@H]1O ZINC000922489253 1266130492 /nfs/dbraw/zinc/13/04/92/1266130492.db2.gz DWLKEYLFKMOOAM-CMPLNLGQSA-N 0 0 344.161 2.562 10 5 EFBERN O=C(NN1C[C@@H]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001649099631 1258383078 /nfs/dbraw/zinc/38/30/78/1258383078.db2.gz SSKPLPFHECEFIS-UWVGGRQHSA-N 0 0 343.305 2.990 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001687464682 1258414988 /nfs/dbraw/zinc/41/49/88/1258414988.db2.gz QHZJEQNUKQSIIY-GOSISDBHSA-N 0 0 346.431 2.863 10 5 EFBERN CC(=O)Nc1cccc(CC(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC001128005231 1258583566 /nfs/dbraw/zinc/58/35/66/1258583566.db2.gz QWAGKXBOFJTTBL-UHFFFAOYSA-N 0 0 341.367 2.721 10 5 EFBERN C[C@@H](NCc1nc(Br)c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000922541315 1266232362 /nfs/dbraw/zinc/23/23/62/1266232362.db2.gz QMTBUYSEZVQVBW-MRVPVSSYSA-N 0 0 325.166 2.931 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OCCO[C@@H]1CCOC1 ZINC000922573679 1266282544 /nfs/dbraw/zinc/28/25/44/1266282544.db2.gz TXAHJQDQTZTAKY-GFCCVEGCSA-N 0 0 341.385 2.669 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000921681625 1260521490 /nfs/dbraw/zinc/52/14/90/1260521490.db2.gz ZWHUOHLVIGZKQO-NVXWUHKLSA-N 0 0 347.415 2.642 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC=CO1 ZINC000803635239 1261095288 /nfs/dbraw/zinc/09/52/88/1261095288.db2.gz JHAQSMFDTUXCOT-NSHDSACASA-N 0 0 327.134 2.989 10 5 EFBERN CCn1cc(Cl)c(C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC001128090434 1261097551 /nfs/dbraw/zinc/09/75/51/1261097551.db2.gz WSUBSKQSFMGPBD-UHFFFAOYSA-N 0 0 325.708 2.692 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCS[C@@H](C)C2)c1C ZINC000921712956 1261251708 /nfs/dbraw/zinc/25/17/08/1261251708.db2.gz RVUXUHIZMMEEBO-CMPLNLGQSA-N 0 0 344.458 2.774 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC000921719434 1261271545 /nfs/dbraw/zinc/27/15/45/1261271545.db2.gz YPYCYFKQKDBAKI-VHSXEESVSA-N 0 0 348.421 2.605 10 5 EFBERN C[C@H](NC(=O)N[C@]12C[C@H]1COC21CCC1)c1ccccc1[N+](=O)[O-] ZINC000921806090 1261654775 /nfs/dbraw/zinc/65/47/75/1261654775.db2.gz ISGULDUOWLWCSE-NVGCLXPQSA-N 0 0 331.372 2.667 10 5 EFBERN CCn1cnc2c1CCN(C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000921807762 1261739039 /nfs/dbraw/zinc/73/90/39/1261739039.db2.gz UANHTZHBDUVAOJ-GFCCVEGCSA-N 0 0 343.387 2.640 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)s1 ZINC000921808895 1261767338 /nfs/dbraw/zinc/76/73/38/1261767338.db2.gz BZISLNFEMMSALU-VXGBXAGGSA-N 0 0 342.442 2.856 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000921808783 1261767854 /nfs/dbraw/zinc/76/78/54/1261767854.db2.gz ACGHIXZSPADMMG-CZUORRHYSA-N 0 0 336.413 2.794 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)cs1 ZINC000921809933 1261771855 /nfs/dbraw/zinc/77/18/55/1261771855.db2.gz LTFSTKAAQAXCBI-DGCLKSJQSA-N 0 0 342.442 2.856 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000923513285 1261836863 /nfs/dbraw/zinc/83/68/63/1261836863.db2.gz MDZUAZLQNNDXMK-MNOVXSKESA-N 0 0 327.358 2.679 10 5 EFBERN CC[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)[C@@H]1C ZINC001128173801 1263165720 /nfs/dbraw/zinc/16/57/20/1263165720.db2.gz GDWVMTASGMEFEW-KGLIPLIRSA-N 0 0 347.415 2.692 10 5 EFBERN Cc1c([C@@H](C)Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cnn1C ZINC001118927849 1263225440 /nfs/dbraw/zinc/22/54/40/1263225440.db2.gz UWSFESMHWDIVLG-ZCFIWIBFSA-N 0 0 332.286 2.562 10 5 EFBERN Cc1c(Br)csc1C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001128216593 1263777114 /nfs/dbraw/zinc/77/71/14/1263777114.db2.gz FZMYIQCAKGUXKI-UHFFFAOYSA-N 0 0 345.178 2.713 10 5 EFBERN Cc1cccc(-c2cncc(C(=O)Nc3c([N+](=O)[O-])cnn3C)c2)c1 ZINC001128216888 1263778469 /nfs/dbraw/zinc/77/84/69/1263778469.db2.gz LEJVVHYWBUJRBG-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001128233615 1263897095 /nfs/dbraw/zinc/89/70/95/1263897095.db2.gz NNNSJQAXZDIMLR-AWEZNQCLSA-N 0 0 347.415 2.541 10 5 EFBERN CC[C@H](CC(=O)Nc1c([N+](=O)[O-])cnn1C)c1ccc(OC)cc1 ZINC001128320566 1264304163 /nfs/dbraw/zinc/30/41/63/1264304163.db2.gz ABVWQBLICCOETO-LLVKDONJSA-N 0 0 332.360 2.859 10 5 EFBERN C[C@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000922093221 1264352118 /nfs/dbraw/zinc/35/21/18/1264352118.db2.gz AGKAYYANQGAGCN-INIZCTEOSA-N 0 0 348.380 2.571 10 5 EFBERN O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc([N+](=O)[O-])s1 ZINC000922156728 1264581777 /nfs/dbraw/zinc/58/17/77/1264581777.db2.gz NUFRCHHDVCHRGN-HTRCEHHLSA-N 0 0 325.264 2.923 10 5 EFBERN Cc1c(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000922168010 1264738613 /nfs/dbraw/zinc/73/86/13/1264738613.db2.gz ITNAWBDJROKDOL-WBVHZDCISA-N 0 0 347.415 2.908 10 5 EFBERN Cc1c(CNC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000922168007 1264738916 /nfs/dbraw/zinc/73/89/16/1264738916.db2.gz ITNAWBDJROKDOL-DOTOQJQBSA-N 0 0 347.415 2.908 10 5 EFBERN Cc1c(CNC(=O)NC2([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000922168083 1264739199 /nfs/dbraw/zinc/73/91/99/1264739199.db2.gz LBYWRQQOTFBKGB-OAHLLOKOSA-N 0 0 333.388 2.804 10 5 EFBERN CC(=O)NCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000922176444 1264753971 /nfs/dbraw/zinc/75/39/71/1264753971.db2.gz FKBJDEGODFMKRP-UHFFFAOYSA-N 0 0 328.752 2.711 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](C)Cn3nccc32)c1 ZINC000922198664 1264875890 /nfs/dbraw/zinc/87/58/90/1264875890.db2.gz CHAMAABJEAZZCI-ZDUSSCGKSA-N 0 0 344.371 2.552 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922205302 1264916599 /nfs/dbraw/zinc/91/65/99/1264916599.db2.gz IPQTZXJDDWTNRK-SKDRFNHKSA-N 0 0 349.261 2.870 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000822259757 1265058170 /nfs/dbraw/zinc/05/81/70/1265058170.db2.gz CNCFBWKUJYIBAT-LBPRGKRZSA-N 0 0 328.372 2.927 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2cccc(CCO)c2)cc1[N+](=O)[O-] ZINC001299274121 1265188206 /nfs/dbraw/zinc/18/82/06/1265188206.db2.gz KRSAEUZMRTYLJN-UHFFFAOYSA-N 0 0 347.346 2.587 10 5 EFBERN Cc1cnn(CCCCCOC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000733425064 1265207418 /nfs/dbraw/zinc/20/74/18/1265207418.db2.gz ZOTKJYVPWIFNPN-UHFFFAOYSA-N 0 0 332.360 2.830 10 5 EFBERN CCOc1ccc(C(=O)N2CCC(=O)C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000823387187 1265329273 /nfs/dbraw/zinc/32/92/73/1265329273.db2.gz RUTFYZHUGWIXGH-AWEZNQCLSA-N 0 0 332.356 2.577 10 5 EFBERN C[C@@](CO)(NCc1cccc2c1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000922305336 1265405907 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349.261 2.576 10 5 EFBERN C[C@@H]1CCCCCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734077472 1266856236 /nfs/dbraw/zinc/85/62/36/1266856236.db2.gz PQLLYCJMQHWONO-SNVBAGLBSA-N 0 0 339.779 2.978 10 5 EFBERN Cc1ccc(CCC(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000747036291 1278295402 /nfs/dbraw/zinc/29/54/02/1278295402.db2.gz KXDNKHNBZHNVPT-UHFFFAOYSA-N 0 0 346.339 2.635 10 5 EFBERN O=C(OCCO[C@H]1CCOC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000922882131 1267078548 /nfs/dbraw/zinc/07/85/48/1267078548.db2.gz QKAQOFZQJLJMJT-AWEZNQCLSA-N 0 0 331.324 2.710 10 5 EFBERN CC(C)(C)C1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000734829028 1267122697 /nfs/dbraw/zinc/12/26/97/1267122697.db2.gz FMQZKTAQQHABRS-UHFFFAOYSA-N 0 0 345.399 2.906 10 5 EFBERN C[C@H](CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)n1cccc1 ZINC000735139440 1267210165 /nfs/dbraw/zinc/21/01/65/1267210165.db2.gz JDJNKZGLTSOIKJ-GFCCVEGCSA-N 0 0 346.339 2.957 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735220270 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EFBERN COc1ccc(CC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000844812148 1279269458 /nfs/dbraw/zinc/26/94/58/1279269458.db2.gz NBAJXGWELCPQJY-CABCVRRESA-N 0 0 344.770 2.967 10 5 EFBERN C[C@@]1(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@]1(F)Cl ZINC000844814714 1279271614 /nfs/dbraw/zinc/27/16/14/1279271614.db2.gz GMSRMSHXVUCOIB-KGLIPLIRSA-N 0 0 330.743 2.795 10 5 EFBERN Cc1nn(CCC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)c(C)c1[N+](=O)[O-] ZINC000844818137 1279274043 /nfs/dbraw/zinc/27/40/43/1279274043.db2.gz YWMIIMSMIYGRRZ-UONOGXRCSA-N 0 0 346.790 2.619 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](C1CC1)C1CCOCC1 ZINC000844829601 1279279531 /nfs/dbraw/zinc/27/95/31/1279279531.db2.gz PGGGFIWJDLRQSF-QYDWLILUSA-N 0 0 330.384 2.929 10 5 EFBERN C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000792998355 1279323693 /nfs/dbraw/zinc/32/36/93/1279323693.db2.gz RFLSLGCYPLDGMQ-LLVKDONJSA-N 0 0 333.388 2.842 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC2(F)F)C1 ZINC000844870837 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EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000845130692 1279455404 /nfs/dbraw/zinc/45/54/04/1279455404.db2.gz WQNMVGRTZZGJFX-NHAGDIPZSA-N 0 0 333.340 2.861 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCCCS2)c1 ZINC000845145172 1279462824 /nfs/dbraw/zinc/46/28/24/1279462824.db2.gz IYAMWKFRUZHPMH-ZDUSSCGKSA-N 0 0 339.369 2.710 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C2(CC(C)=O)CCC2)c1 ZINC000845154171 1279466398 /nfs/dbraw/zinc/46/63/98/1279466398.db2.gz YQVGSKNMHXAYRU-UHFFFAOYSA-N 0 0 349.339 2.574 10 5 EFBERN CCCc1nc(C(=O)OCc2cc(C(=O)OC)ccc2[N+](=O)[O-])co1 ZINC000845157460 1279467261 /nfs/dbraw/zinc/46/72/61/1279467261.db2.gz QUPPGPMFOAMROM-UHFFFAOYSA-N 0 0 348.311 2.679 10 5 EFBERN NC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000845348476 1279582249 /nfs/dbraw/zinc/58/22/49/1279582249.db2.gz ZUMDTQFHAGKQQY-ZIAGYGMSSA-N 0 0 332.356 2.563 10 5 EFBERN COCc1ccc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000815194685 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ZINC000845744054 1279812658 /nfs/dbraw/zinc/81/26/58/1279812658.db2.gz QLFBZVQFAHEPAF-OAHLLOKOSA-N 0 0 340.326 2.936 10 5 EFBERN COc1cc(OCC(=O)OC[C@@H]2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000845763196 1279822991 /nfs/dbraw/zinc/82/29/91/1279822991.db2.gz CYNSQPFRUQXWBD-FRRDWIJNSA-N 0 0 335.356 2.962 10 5 EFBERN CCOC(=O)Cc1ccc(N2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000845768771 1279827404 /nfs/dbraw/zinc/82/74/04/1279827404.db2.gz FXTSYPLWZKXRKV-HNNXBMFYSA-N 0 0 340.326 2.936 10 5 EFBERN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O[C@@H]1CC[C@@H](C)C1 ZINC000815208295 1287380107 /nfs/dbraw/zinc/38/01/07/1287380107.db2.gz WBTLTAJPHVACSM-ZYHUDNBSSA-N 0 0 337.328 2.527 10 5 EFBERN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O[C@@H]1CC[C@H](C)C1 ZINC000815208292 1287380633 /nfs/dbraw/zinc/38/06/33/1287380633.db2.gz WBTLTAJPHVACSM-CMPLNLGQSA-N 0 0 337.328 2.527 10 5 EFBERN C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(=O)OC(C)(C)C ZINC000795196771 1287382901 /nfs/dbraw/zinc/38/29/01/1287382901.db2.gz ZWZFVJFPMBDOMA-SECBINFHSA-N 0 0 335.364 2.796 10 5 EFBERN O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCC[C@@H]1O ZINC000815214604 1287383927 /nfs/dbraw/zinc/38/39/27/1287383927.db2.gz NJOVSPJYCSLYOT-PWSUYJOCSA-N 0 0 333.262 2.818 10 5 EFBERN COc1c(C(=O)Nc2cccc3c2OCC[C@@H]3O)cccc1[N+](=O)[O-] ZINC000793831711 1279910338 /nfs/dbraw/zinc/91/03/38/1279910338.db2.gz XXDYWDMTRWOHHQ-AWEZNQCLSA-N 0 0 344.323 2.672 10 5 EFBERN CC(=O)SCCCCCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000793833279 1279910518 /nfs/dbraw/zinc/91/05/18/1279910518.db2.gz DYDRKQDUURYUQR-UHFFFAOYSA-N 0 0 325.390 2.560 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccccc2)nc1 ZINC000845909959 1279929865 /nfs/dbraw/zinc/92/98/65/1279929865.db2.gz HHFGDPRTQAUWRP-HNNXBMFYSA-N 0 0 347.396 2.906 10 5 EFBERN C[C@@]1(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845973876 1279950165 /nfs/dbraw/zinc/95/01/65/1279950165.db2.gz FEMDFYRNUADWKL-VXGBXAGGSA-N 0 0 336.772 2.578 10 5 EFBERN 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CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001170650176 1284768358 /nfs/dbraw/zinc/76/83/58/1284768358.db2.gz GBTZNJYJRKVRGH-MRXNPFEDSA-N 0 0 345.786 2.926 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NOC/C=C\Cl ZINC000811984049 1284774073 /nfs/dbraw/zinc/77/40/73/1284774073.db2.gz HMTXSYOBQWOAQQ-KTAJNNJTSA-N 0 0 338.751 2.602 10 5 EFBERN CNc1ccc(C(=O)NCc2cc(O)ccc2Cl)cc1[N+](=O)[O-] ZINC001176152133 1287738719 /nfs/dbraw/zinc/73/87/19/1287738719.db2.gz QSXMBCSOKJJYAE-UHFFFAOYSA-N 0 0 335.747 2.926 10 5 EFBERN COC(=O)CCc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001133110768 1284800516 /nfs/dbraw/zinc/80/05/16/1284800516.db2.gz OBQGFVQBTCJWFJ-UHFFFAOYSA-N 0 0 343.339 2.656 10 5 EFBERN CC(=O)NCc1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001133117278 1284823900 /nfs/dbraw/zinc/82/39/00/1284823900.db2.gz DKUQVFYPXFIYEW-GFCCVEGCSA-N 0 0 341.367 2.722 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCC(=O)N1CCCCC1 ZINC000805434057 1284825281 /nfs/dbraw/zinc/82/52/81/1284825281.db2.gz QUDAWGSHOWJHJF-UHFFFAOYSA-N 0 0 334.372 2.853 10 5 EFBERN COC1(c2nccn2C)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000952991593 1284966383 /nfs/dbraw/zinc/96/63/83/1284966383.db2.gz BIGDLBFCBKHNEP-UHFFFAOYSA-N 0 0 334.351 2.610 10 5 EFBERN O=[N+]([O-])c1ccccc1NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 ZINC000952992970 1284969664 /nfs/dbraw/zinc/96/96/64/1284969664.db2.gz DQBBMYDYZJZETF-SECBINFHSA-N 0 0 341.293 2.923 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001133224218 1285009350 /nfs/dbraw/zinc/00/93/50/1285009350.db2.gz JFUYEKVTTFTBCL-MRXNPFEDSA-N 0 0 335.360 2.988 10 5 EFBERN C[C@@H](C(=O)NCc1ccc2oc(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001133243900 1285041679 /nfs/dbraw/zinc/04/16/79/1285041679.db2.gz NVUJKTKFDAJINN-SNVBAGLBSA-N 0 0 341.323 2.862 10 5 EFBERN CON(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000812357935 1285072437 /nfs/dbraw/zinc/07/24/37/1285072437.db2.gz XZHOQJFTNKIYSD-UHFFFAOYSA-N 0 0 345.384 2.961 10 5 EFBERN CCC(=O)Nc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000812475441 1285168427 /nfs/dbraw/zinc/16/84/27/1285168427.db2.gz KNSWEVNNMVUBJT-UHFFFAOYSA-N 0 0 327.340 2.873 10 5 EFBERN Cn1nc2c(c1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CCCC2 ZINC000812615027 1285295382 /nfs/dbraw/zinc/29/53/82/1285295382.db2.gz YUYAUIDSHBAUMK-UHFFFAOYSA-N 0 0 348.790 2.791 10 5 EFBERN CC(C)(CCc1noc(-c2cccc3c2CC(=O)CC3)n1)[N+](=O)[O-] ZINC000812811650 1285424906 /nfs/dbraw/zinc/42/49/06/1285424906.db2.gz YZHGGABSMHPQGZ-UHFFFAOYSA-N 0 0 329.356 2.782 10 5 EFBERN C[C@H]1CCN(c2cc(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)ccn2)C1 ZINC000812816756 1285428802 /nfs/dbraw/zinc/42/88/02/1285428802.db2.gz ZUAHZSAFMCBCHV-LBPRGKRZSA-N 0 0 345.403 2.966 10 5 EFBERN CCc1ccc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC001133460161 1285455663 /nfs/dbraw/zinc/45/56/63/1285455663.db2.gz UAKAPIJAZZPGGR-UHFFFAOYSA-N 0 0 341.323 2.934 10 5 EFBERN Cc1ccc([C@H](C)C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC001171450838 1285503628 /nfs/dbraw/zinc/50/36/28/1285503628.db2.gz JFLKYZODOZQEKM-YVEFUNNKSA-N 0 0 332.356 2.624 10 5 EFBERN CSc1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC001171453272 1285535123 /nfs/dbraw/zinc/53/51/23/1285535123.db2.gz SWGWPNOILXKFPV-OAHLLOKOSA-N 0 0 336.369 2.547 10 5 EFBERN CC(C)c1cc(C(=O)OC[C@H](C)[N+](=O)[O-])c2cnn(C(C)C)c2n1 ZINC000813101803 1285652199 /nfs/dbraw/zinc/65/21/99/1285652199.db2.gz JBXYUJBGRONRAL-NSHDSACASA-N 0 0 334.376 2.958 10 5 EFBERN O=C(OCCc1ccccc1[N+](=O)[O-])[C@H]1CCCN1CC(F)(F)F ZINC000813076193 1285658995 /nfs/dbraw/zinc/65/89/95/1285658995.db2.gz KGBRDWMWNOUAME-CYBMUJFWSA-N 0 0 346.305 2.707 10 5 EFBERN COC[C@H](C)[C@H](C)C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000813077334 1285659048 /nfs/dbraw/zinc/65/90/48/1285659048.db2.gz VHTPBYHLNRYVLF-IGQOVBAYSA-N 0 0 339.392 2.737 10 5 EFBERN C[C@H]1CC2(CC(NC(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CO1 ZINC001179012028 1289021718 /nfs/dbraw/zinc/02/17/18/1289021718.db2.gz BGUORKLWUZSTOA-LWOUBBNUSA-N 0 0 338.791 2.865 10 5 EFBERN CC1(C)C[C@@H]1COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000813131001 1285667490 /nfs/dbraw/zinc/66/74/90/1285667490.db2.gz NPSRWPYPDFLZER-LLVKDONJSA-N 0 0 348.355 2.872 10 5 EFBERN C[C@@H](COC(=O)CCCc1ccccc1Br)[N+](=O)[O-] ZINC000813106961 1285676350 /nfs/dbraw/zinc/67/63/50/1285676350.db2.gz IZOYIGRWHSIDLA-JTQLQIEISA-N 0 0 330.178 2.980 10 5 EFBERN COc1ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])c(OCCC(C)C)c1 ZINC000813106500 1285676578 /nfs/dbraw/zinc/67/65/78/1285676578.db2.gz DHURYRPMOGXMHA-GFCCVEGCSA-N 0 0 325.361 2.942 10 5 EFBERN C[C@H](COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)[N+](=O)[O-] ZINC000813106166 1285679009 /nfs/dbraw/zinc/67/90/09/1285679009.db2.gz ZRSMPBCJLQDWJF-SECBINFHSA-N 0 0 343.261 2.713 10 5 EFBERN Cc1nc(SC(F)F)sc1CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813106409 1285679433 /nfs/dbraw/zinc/67/94/33/1285679433.db2.gz COTNSVHEBHREGX-RXMQYKEDSA-N 0 0 326.346 2.517 10 5 EFBERN COc1cc(Br)ccc1CCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813108889 1285679986 /nfs/dbraw/zinc/67/99/86/1285679986.db2.gz BQEJSLNARWFBBR-VIFPVBQESA-N 0 0 346.177 2.599 10 5 EFBERN CCOc1cc2c(cc1/C=C\C(=O)OC[C@H](C)[N+](=O)[O-])O[C@@H](C)C2 ZINC000813109061 1285680016 /nfs/dbraw/zinc/68/00/16/1285680016.db2.gz NTOHMLPYWGJRTC-YGABWQLJSA-N 0 0 335.356 2.630 10 5 EFBERN C[C@H](COC(=O)CN(Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-] ZINC000813110631 1285683159 /nfs/dbraw/zinc/68/31/59/1285683159.db2.gz FYWWTNXITBRTEL-MRXNPFEDSA-N 0 0 342.395 2.897 10 5 EFBERN C[C@@H](COC(=O)[C@H](c1ccccc1)N1CCc2ccccc21)[N+](=O)[O-] ZINC000813111351 1285683962 /nfs/dbraw/zinc/68/39/62/1285683962.db2.gz RONCQGVGJQJOHY-KSSFIOAISA-N 0 0 340.379 2.999 10 5 EFBERN C[C@H](COC(=O)C1(c2cccc(Cl)c2)CCOCC1)[N+](=O)[O-] ZINC000813114314 1285685778 /nfs/dbraw/zinc/68/57/78/1285685778.db2.gz PMWPWPAKWVHQEQ-LLVKDONJSA-N 0 0 327.764 2.597 10 5 EFBERN CCc1ccc(C(=O)N[C@@]23CCC[C@]2(OC)OCC3)cc1[N+](=O)[O-] ZINC001133626959 1285693595 /nfs/dbraw/zinc/69/35/95/1285693595.db2.gz NMHCULCDVKBPLU-SJORKVTESA-N 0 0 334.372 2.573 10 5 EFBERN C[C@@H](OCC1CC1)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171009 1285702174 /nfs/dbraw/zinc/70/21/74/1285702174.db2.gz QFBBTYDPJQSJNY-DYVFJYSZSA-N 0 0 348.399 2.527 10 5 EFBERN CC[C@@H]1CC[C@H](C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000813173889 1285702912 /nfs/dbraw/zinc/70/29/12/1285702912.db2.gz LXPULRQPRRKYED-IXDOHACOSA-N 0 0 348.399 2.670 10 5 EFBERN CC[C@@H](C)OCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173876 1285703483 /nfs/dbraw/zinc/70/34/83/1285703483.db2.gz LTBQQAMWDODULS-CJNGLKHVSA-N 0 0 336.388 2.527 10 5 EFBERN O=C(C[C@@H]1CCCCO1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174603 1285704568 /nfs/dbraw/zinc/70/45/68/1285704568.db2.gz ZOBOGVYZNGDHMA-IRXDYDNUSA-N 0 0 348.399 2.672 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001133685758 1285779440 /nfs/dbraw/zinc/77/94/40/1285779440.db2.gz CHRLGKQHGNQHII-FMIVXFBMSA-N 0 0 339.351 2.631 10 5 EFBERN Cn1nc2c(c1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCCC2 ZINC000813313289 1285809378 /nfs/dbraw/zinc/80/93/78/1285809378.db2.gz QJVRWCMMBBRVQB-UHFFFAOYSA-N 0 0 348.790 2.791 10 5 EFBERN CC(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c[nH]1 ZINC001179092686 1289038095 /nfs/dbraw/zinc/03/80/95/1289038095.db2.gz WNEFFHRWHWYXJW-UHFFFAOYSA-N 0 0 349.366 2.576 10 5 EFBERN Cc1ccc(CN(CCCC(C)C)C(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC001133777504 1285916260 /nfs/dbraw/zinc/91/62/60/1285916260.db2.gz GUWCWENAXKZELB-UHFFFAOYSA-N 0 0 349.391 2.553 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001133819200 1285974118 /nfs/dbraw/zinc/97/41/18/1285974118.db2.gz XMEAAOMWRNBTHR-WHOFXGATSA-N 0 0 347.371 2.988 10 5 EFBERN Cn1cnc2cc(CNC(=O)c3c(F)cccc3[N+](=O)[O-])ccc21 ZINC001133822869 1285980014 /nfs/dbraw/zinc/98/00/14/1285980014.db2.gz ONROLJJYBRAXOS-UHFFFAOYSA-N 0 0 328.303 2.551 10 5 EFBERN COc1ccccc1[C@@H](O)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000813585625 1286001256 /nfs/dbraw/zinc/00/12/56/1286001256.db2.gz QAOOKVBUSAAZNQ-INIZCTEOSA-N 0 0 339.351 2.719 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H](O)c1cccc(F)c1 ZINC000813590130 1286004928 /nfs/dbraw/zinc/00/49/28/1286004928.db2.gz ZOQVGLZZWSIEIW-INIZCTEOSA-N 0 0 327.315 2.850 10 5 EFBERN CC(C)(C)OC(=O)N1CC(Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000813594969 1286007360 /nfs/dbraw/zinc/00/73/60/1286007360.db2.gz UHGJCXOXZJSNEC-UHFFFAOYSA-N 0 0 344.371 2.596 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@H]2CN(c3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000813627998 1286015017 /nfs/dbraw/zinc/01/50/17/1286015017.db2.gz OEJKUTMOHKKTEE-STQMWFEESA-N 0 0 348.403 2.826 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001133868810 1286048615 /nfs/dbraw/zinc/04/86/15/1286048615.db2.gz HFZPDLMFLAXGRK-UHFFFAOYSA-N 0 0 339.760 2.922 10 5 EFBERN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000813729308 1286079747 /nfs/dbraw/zinc/07/97/47/1286079747.db2.gz DVBDHXOSABOXKJ-GFCCVEGCSA-N 0 0 331.294 2.718 10 5 EFBERN CCC/C=C/COC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000813913321 1286183792 /nfs/dbraw/zinc/18/37/92/1286183792.db2.gz SEJUMPDDJSUHGY-SNAWJCMRSA-N 0 0 334.372 2.945 10 5 EFBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC1CCC=CCC1 ZINC001133981929 1286191856 /nfs/dbraw/zinc/19/18/56/1286191856.db2.gz JAWKZOMYRJUDHX-UHFFFAOYSA-N 0 0 345.399 2.577 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](c1ccccc1)C(F)F ZINC000813974274 1286213786 /nfs/dbraw/zinc/21/37/86/1286213786.db2.gz MCDRZKZDXHQXJO-ZDUSSCGKSA-N 0 0 325.271 2.731 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001179152239 1289059357 /nfs/dbraw/zinc/05/93/57/1289059357.db2.gz NUGIRYACMSUUJW-INIZCTEOSA-N 0 0 328.372 2.923 10 5 EFBERN CN(C(=O)C1CC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC001134033671 1286240437 /nfs/dbraw/zinc/24/04/37/1286240437.db2.gz UKMYXNLITYZVTK-UHFFFAOYSA-N 0 0 340.339 2.615 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCOc3cccc(C)c32)n1 ZINC000814031861 1286252904 /nfs/dbraw/zinc/25/29/04/1286252904.db2.gz KLHZORYILGIZKY-ZDUSSCGKSA-N 0 0 331.328 2.800 10 5 EFBERN COCCSCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000814008047 1286258816 /nfs/dbraw/zinc/25/88/16/1286258816.db2.gz XSAZCZIUGLVJRL-UHFFFAOYSA-N 0 0 345.392 2.934 10 5 EFBERN CC(C)OC(=O)CSCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000814010788 1286259958 /nfs/dbraw/zinc/25/99/58/1286259958.db2.gz DXXBXNFYTYBCOC-UHFFFAOYSA-N 0 0 345.348 2.576 10 5 EFBERN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-])O[C@H](C)C2 ZINC000814037427 1286269466 /nfs/dbraw/zinc/26/94/66/1286269466.db2.gz ADXJQQQTQWMPGC-MPXAEWJHSA-N 0 0 349.383 2.721 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)c1ccccc1Br ZINC000814042480 1286272775 /nfs/dbraw/zinc/27/27/75/1286272775.db2.gz LKHRPKBEZAEXNO-VIFPVBQESA-N 0 0 330.178 2.935 10 5 EFBERN Cc1ccc(/C=C\C(=O)O[C@H](C)C[N+](=O)[O-])c(Br)c1 ZINC000814043795 1286272794 /nfs/dbraw/zinc/27/27/94/1286272794.db2.gz JMNOFCGNBCPIDC-WWQCOOJYSA-N 0 0 328.162 2.979 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000814041062 1286272825 /nfs/dbraw/zinc/27/28/25/1286272825.db2.gz OOKLLAUACQRUAU-KDOFPFPSSA-N 0 0 340.379 2.999 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001134044971 1286273088 /nfs/dbraw/zinc/27/30/88/1286273088.db2.gz MDLDBDWJRQQAFD-UHFFFAOYSA-N 0 0 347.758 2.884 10 5 EFBERN CCCc1c(C(=O)O[C@H](C)C[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000814042894 1286273170 /nfs/dbraw/zinc/27/31/70/1286273170.db2.gz QADLXFSEVVWQTH-CYBMUJFWSA-N 0 0 331.372 2.955 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000814041064 1286273339 /nfs/dbraw/zinc/27/33/39/1286273339.db2.gz OOKLLAUACQRUAU-RDTXWAMCSA-N 0 0 340.379 2.999 10 5 EFBERN CC(C)c1cc(C(=O)O[C@H](C)C[N+](=O)[O-])c2cnn(C(C)C)c2n1 ZINC000814047748 1286276271 /nfs/dbraw/zinc/27/62/71/1286276271.db2.gz XGENVIMTZPNSOP-LLVKDONJSA-N 0 0 334.376 2.958 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)C1(Cc2ccccc2Br)CC1 ZINC000814048691 1286276807 /nfs/dbraw/zinc/27/68/07/1286276807.db2.gz MSAANHYXRJMRLS-SNVBAGLBSA-N 0 0 342.189 2.980 10 5 EFBERN COc1ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])c(OCCC(C)C)c1 ZINC000814050674 1286278153 /nfs/dbraw/zinc/27/81/53/1286278153.db2.gz YDRHBKJZEQZKNM-LBPRGKRZSA-N 0 0 325.361 2.942 10 5 EFBERN Cc1ncoc1COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000814097670 1286312281 /nfs/dbraw/zinc/31/22/81/1286312281.db2.gz QQNBQQJIEQCBBO-UHFFFAOYSA-N 0 0 328.227 2.850 10 5 EFBERN C/C(=C/C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(F)cc1 ZINC001134132916 1286359683 /nfs/dbraw/zinc/35/96/83/1286359683.db2.gz CJPWPXREJIOUSJ-NTMALXAHSA-N 0 0 343.314 2.875 10 5 EFBERN Cc1cccc([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001134133825 1286360021 /nfs/dbraw/zinc/36/00/21/1286360021.db2.gz USKHRXLSUKYHEA-LLVKDONJSA-N 0 0 327.340 2.744 10 5 EFBERN Cc1cccc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)c1[N+](=O)[O-] ZINC001134149442 1286380217 /nfs/dbraw/zinc/38/02/17/1286380217.db2.gz UTMVTEFAXMWXDW-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN COc1ccncc1CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000814328213 1286507772 /nfs/dbraw/zinc/50/77/72/1286507772.db2.gz ZLMXPBIJYTURIF-FMIVXFBMSA-N 0 0 327.340 2.718 10 5 EFBERN Cc1cc(C)cc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001134358278 1286590073 /nfs/dbraw/zinc/59/00/73/1286590073.db2.gz TYWYYBXKHCJYCQ-UHFFFAOYSA-N 0 0 341.367 2.882 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)(C)C ZINC001134347357 1286602980 /nfs/dbraw/zinc/60/29/80/1286602980.db2.gz WISPBJGPIVMKPL-CQSZACIVSA-N 0 0 336.388 2.919 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)(C)C ZINC001134347356 1286604141 /nfs/dbraw/zinc/60/41/41/1286604141.db2.gz WISPBJGPIVMKPL-AWEZNQCLSA-N 0 0 336.388 2.919 10 5 EFBERN Cc1c(C(=O)Nc2cc(C(F)(F)F)n(C)n2)cccc1[N+](=O)[O-] ZINC001134374532 1286608980 /nfs/dbraw/zinc/60/89/80/1286608980.db2.gz JMBZDGPHLGUIPJ-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN CN(C)c1cc(F)c(C(=O)OCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000814482261 1286651177 /nfs/dbraw/zinc/65/11/77/1286651177.db2.gz QYALWIXFSCENEY-LLVKDONJSA-N 0 0 340.351 2.916 10 5 EFBERN COC(C)(C)CCOC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000814485190 1286657799 /nfs/dbraw/zinc/65/77/99/1286657799.db2.gz ZKZJHMNSQPBNDI-UHFFFAOYSA-N 0 0 328.340 2.772 10 5 EFBERN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCS1 ZINC001134493314 1286811198 /nfs/dbraw/zinc/81/11/98/1286811198.db2.gz YJJRJUJQSGOKCR-WPRPVWTQSA-N 0 0 325.346 2.517 10 5 EFBERN CC1(C)O[C@@H]2C[C@@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2O1 ZINC001134550501 1286903757 /nfs/dbraw/zinc/90/37/57/1286903757.db2.gz FNKFQFZZRSVUSS-OJNYZHBWSA-N 0 0 346.339 2.753 10 5 EFBERN Cc1nc([C@@](C)(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CC2)no1 ZINC000814670790 1286913775 /nfs/dbraw/zinc/91/37/75/1286913775.db2.gz GURTXXHJQHPOCX-HNNXBMFYSA-N 0 0 347.331 2.609 10 5 EFBERN CCOC(=O)c1csc(COc2ccc([N+](=O)[O-])cc2C=O)n1 ZINC000814727808 1286949351 /nfs/dbraw/zinc/94/93/51/1286949351.db2.gz ZZIGUIQFCVYUFY-UHFFFAOYSA-N 0 0 336.325 2.620 10 5 EFBERN CCc1ccc(C(=O)NCc2ccc3nonc3c2)cc1[N+](=O)[O-] ZINC001134659001 1287000465 /nfs/dbraw/zinc/00/04/65/1287000465.db2.gz QCPUNAZOUNTJSA-UHFFFAOYSA-N 0 0 326.312 2.623 10 5 EFBERN CNC(=O)Cc1nc(COc2cccc(Cl)c2[N+](=O)[O-])cs1 ZINC000814774771 1287019000 /nfs/dbraw/zinc/01/90/00/1287019000.db2.gz DBVRQRKKEUROIT-UHFFFAOYSA-N 0 0 341.776 2.572 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000871417473 1287046720 /nfs/dbraw/zinc/04/67/20/1287046720.db2.gz GVGOAIWVBDKJHI-CQSZACIVSA-N 0 0 338.367 2.615 10 5 EFBERN Cc1sc(C(=O)N2CCO[C@](C)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000871445651 1287077773 /nfs/dbraw/zinc/07/77/73/1287077773.db2.gz VOINPBJYROAIJE-NSHDSACASA-N 0 0 338.307 2.758 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001134705780 1287092070 /nfs/dbraw/zinc/09/20/70/1287092070.db2.gz SOSDRLJCPZBZMA-KWQFWETISA-N 0 0 339.373 2.825 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCC[C@@H]2CCC(C)(C)CO2)c1[N+](=O)[O-] ZINC001179404352 1289124773 /nfs/dbraw/zinc/12/47/73/1289124773.db2.gz CRAKOWANTPCSBW-NSHDSACASA-N 0 0 338.408 2.766 10 5 EFBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000871474161 1287097025 /nfs/dbraw/zinc/09/70/25/1287097025.db2.gz GGMBQVIAUQXUCW-INIZCTEOSA-N 0 0 348.399 2.932 10 5 EFBERN COc1ccc(C(=O)NC[C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000871571081 1287150743 /nfs/dbraw/zinc/15/07/43/1287150743.db2.gz HYNOUKIPMCPXGR-CYBMUJFWSA-N 0 0 334.372 2.540 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC12CCOCC2 ZINC000871576935 1287156176 /nfs/dbraw/zinc/15/61/76/1287156176.db2.gz BRCMSWYWHAFRTR-AWEZNQCLSA-N 0 0 347.415 2.720 10 5 EFBERN CNc1c(C(=O)NC[C@@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000871583184 1287160753 /nfs/dbraw/zinc/16/07/53/1287160753.db2.gz MLIOGOBWAZPHDC-LBPRGKRZSA-N 0 0 333.388 2.573 10 5 EFBERN COc1cccc(C(=O)NC[C@@H]2CCC23CCOCC3)c1[N+](=O)[O-] ZINC000871584818 1287161594 /nfs/dbraw/zinc/16/15/94/1287161594.db2.gz HLRXQUAYYHNJFP-LBPRGKRZSA-N 0 0 334.372 2.540 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000871586764 1287162693 /nfs/dbraw/zinc/16/26/93/1287162693.db2.gz ZLWDEMOUDHGVHP-ZDUSSCGKSA-N 0 0 348.399 2.930 10 5 EFBERN Cc1nc([N+](=O)[O-])c(Br)n1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871649599 1287191519 /nfs/dbraw/zinc/19/15/19/1287191519.db2.gz IEMYROJBHASXQD-GUBZILKMSA-N 0 0 330.182 2.820 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Br)cn1C1CC(CF)(CF)C1 ZINC000871658735 1287196525 /nfs/dbraw/zinc/19/65/25/1287196525.db2.gz QDBVETCSUXSDCJ-UHFFFAOYSA-N 0 0 337.120 2.779 10 5 EFBERN CC(=O)c1ccc(OCc2nccn2CC(F)F)c([N+](=O)[O-])c1 ZINC000871664257 1287198482 /nfs/dbraw/zinc/19/84/82/1287198482.db2.gz VVJIVWRQNFLIIL-UHFFFAOYSA-N 0 0 325.271 2.838 10 5 EFBERN O=[N+]([O-])c1ccc(SCc2cn(C[C@@H]3CCOC3)nn2)c(F)c1 ZINC000871667033 1287198496 /nfs/dbraw/zinc/19/84/96/1287198496.db2.gz BZJSOCLJCYZUGE-JTQLQIEISA-N 0 0 338.364 2.654 10 5 EFBERN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C1CC(CF)(CF)C1 ZINC000871668144 1287199687 /nfs/dbraw/zinc/19/96/87/1287199687.db2.gz JMRGLIXLECSBJE-UHFFFAOYSA-N 0 0 325.271 2.672 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1C1CC(CF)(CF)C1 ZINC000871670644 1287200731 /nfs/dbraw/zinc/20/07/31/1287200731.db2.gz CFFRMNMAHZHHIR-UHFFFAOYSA-N 0 0 325.271 2.672 10 5 EFBERN O=C(OCOc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)N1CCCC1 ZINC000871677432 1287203032 /nfs/dbraw/zinc/20/30/32/1287203032.db2.gz KOTAZRIPYANNCX-UHFFFAOYSA-N 0 0 338.213 2.720 10 5 EFBERN COc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001135242280 1287852782 /nfs/dbraw/zinc/85/27/82/1287852782.db2.gz HBKICAQQNRTTCW-UHFFFAOYSA-N 0 0 348.330 2.860 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC[C@@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC001179428357 1289137324 /nfs/dbraw/zinc/13/73/24/1289137324.db2.gz SNJBHRDCLSEAKT-GXFFZTMASA-N 0 0 339.779 2.518 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC[C@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC001179428359 1289137355 /nfs/dbraw/zinc/13/73/55/1289137355.db2.gz SNJBHRDCLSEAKT-ZWNOBZJWSA-N 0 0 339.779 2.518 10 5 EFBERN CO[C@@H]1CCC[C@@H](C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000815925689 1287894187 /nfs/dbraw/zinc/89/41/87/1287894187.db2.gz NFGQGHSDTOBGIF-CZUORRHYSA-N 0 0 336.388 2.779 10 5 EFBERN Cc1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(N)c([N+](=O)[O-])c1 ZINC001179445546 1289141036 /nfs/dbraw/zinc/14/10/36/1289141036.db2.gz YPMVWGODXCUUPO-WKZPIUISSA-N 0 0 327.384 2.770 10 5 EFBERN CC(C)[C@H](CCc1ccccc1)C(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000815972994 1287920245 /nfs/dbraw/zinc/92/02/45/1287920245.db2.gz VGKGVLCMKKVRSD-HNNXBMFYSA-N 0 0 346.387 2.635 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC001135312512 1287940111 /nfs/dbraw/zinc/94/01/11/1287940111.db2.gz LIHONVDHSOJEGP-LLVKDONJSA-N 0 0 346.391 2.695 10 5 EFBERN CO[C@H]1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000816031368 1287963128 /nfs/dbraw/zinc/96/31/28/1287963128.db2.gz VODWOWPPBJAWFP-ULQDDVLXSA-N 0 0 348.399 2.922 10 5 EFBERN COc1cc(C(=O)Nc2cn(C)nc2C(F)F)c([N+](=O)[O-])cc1F ZINC001135337640 1287964260 /nfs/dbraw/zinc/96/42/60/1287964260.db2.gz KUFCYCSCMQNYOT-UHFFFAOYSA-N 0 0 344.249 2.666 10 5 EFBERN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)Nc1cccc([N+](=O)[O-])c1 ZINC001135504732 1288048467 /nfs/dbraw/zinc/04/84/67/1288048467.db2.gz QSUNFXJQRTZZHU-ZDUSSCGKSA-N 0 0 329.287 2.798 10 5 EFBERN Cc1nsc(C)c1COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000816344133 1288063740 /nfs/dbraw/zinc/06/37/40/1288063740.db2.gz ICFPKRFCQVESJA-UHFFFAOYSA-N 0 0 335.385 2.848 10 5 EFBERN CO[C@H](COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000816372018 1288091466 /nfs/dbraw/zinc/09/14/66/1288091466.db2.gz SPZPHVIRHQWJJY-QGZVFWFLSA-N 0 0 348.399 2.779 10 5 EFBERN Cc1nn(CCC(=O)OC[C@@H]2CCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000816392185 1288106346 /nfs/dbraw/zinc/10/63/46/1288106346.db2.gz VPMHLIZNWYRWNQ-NSHDSACASA-N 0 0 331.319 2.777 10 5 EFBERN COc1cc(OCC(=O)OC[C@@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000816394752 1288107637 /nfs/dbraw/zinc/10/76/37/1288107637.db2.gz ADMQKKSQTFEILQ-JTQLQIEISA-N 0 0 345.298 2.961 10 5 EFBERN COc1cc(C(=O)NCc2cnc(Cl)s2)cc([N+](=O)[O-])c1C ZINC000816502260 1288173217 /nfs/dbraw/zinc/17/32/17/1288173217.db2.gz UBFNOIMOWQCIDO-UHFFFAOYSA-N 0 0 341.776 2.952 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ncc(Cl)s1 ZINC001177069894 1288252383 /nfs/dbraw/zinc/25/23/83/1288252383.db2.gz AXEUUZFHTGCWHV-UHFFFAOYSA-N 0 0 329.740 2.703 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001177091239 1288266938 /nfs/dbraw/zinc/26/69/38/1288266938.db2.gz RVFNXQFQTPEYEN-JTQLQIEISA-N 0 0 325.328 2.666 10 5 EFBERN CCOC(=O)c1cc(C(=O)NOc2ccccc2F)cc([N+](=O)[O-])c1 ZINC001177109855 1288275409 /nfs/dbraw/zinc/27/54/09/1288275409.db2.gz SQZITNIROLLYDE-UHFFFAOYSA-N 0 0 348.286 2.634 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NC2CC(Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC001177157726 1288296148 /nfs/dbraw/zinc/29/61/48/1288296148.db2.gz NKVYVUHDYVKNLG-UHFFFAOYSA-N 0 0 343.387 2.814 10 5 EFBERN Cc1nn(C)c(C)c1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001135735146 1288305043 /nfs/dbraw/zinc/30/50/43/1288305043.db2.gz NALKKGYDSGTUMX-UHFFFAOYSA-N 0 0 326.715 2.990 10 5 EFBERN CC[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001177244574 1288346420 /nfs/dbraw/zinc/34/64/20/1288346420.db2.gz QQSXBXTYLNKDPW-GDBMZVCRSA-N 0 0 332.331 2.976 10 5 EFBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1NC)[C@@H](O)c1ccccc1 ZINC001177252253 1288351335 /nfs/dbraw/zinc/35/13/35/1288351335.db2.gz MOHZNFQOCQLYBS-PBHICJAKSA-N 0 0 343.383 2.879 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC001135799320 1288391325 /nfs/dbraw/zinc/39/13/25/1288391325.db2.gz DDVBXXKOFXRABN-UHFFFAOYSA-N 0 0 337.282 2.708 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC(C)(C)OC1=O ZINC000817071220 1288401391 /nfs/dbraw/zinc/40/13/91/1288401391.db2.gz ZOEXSPWZNIUQJB-RBJHHQRMSA-N 0 0 332.356 2.551 10 5 EFBERN COC(=O)c1sccc1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001165735364 1312671992 /nfs/dbraw/zinc/67/19/92/1312671992.db2.gz IVRUHSDVGJQASF-UHFFFAOYSA-N 0 0 332.341 2.544 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000817203484 1288469603 /nfs/dbraw/zinc/46/96/03/1288469603.db2.gz LJOUNJMOLGRCMF-UMSGYPCISA-N 0 0 332.356 2.901 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc3nsnc32)c1 ZINC001177777255 1288526175 /nfs/dbraw/zinc/52/61/75/1288526175.db2.gz YJWQEGQMKBTAMY-UHFFFAOYSA-N 0 0 344.352 2.538 10 5 EFBERN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001177806396 1288553925 /nfs/dbraw/zinc/55/39/25/1288553925.db2.gz PJZKJIZQKIHQMK-UHFFFAOYSA-N 0 0 347.718 2.808 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)NOCC3CC3)cc2[N+](=O)[O-])C1 ZINC000817362185 1288576291 /nfs/dbraw/zinc/57/62/91/1288576291.db2.gz JBYCYHVOIIRNSP-GFCCVEGCSA-N 0 0 333.388 2.903 10 5 EFBERN COC1CC(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852198978 1299593077 /nfs/dbraw/zinc/59/30/77/1299593077.db2.gz DBFUMAIZNOIJGK-UHFFFAOYSA-N 0 0 341.795 2.863 10 5 EFBERN CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001177939467 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EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(CF)CCOCC1 ZINC000822302789 1288949442 /nfs/dbraw/zinc/94/94/42/1288949442.db2.gz IPBWYELSQQKFLY-UHFFFAOYSA-N 0 0 344.770 2.973 10 5 EFBERN C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ncnn21 ZINC000823253848 1289250174 /nfs/dbraw/zinc/25/01/74/1289250174.db2.gz PGCZSXXZCYZEPU-IONNQARKSA-N 0 0 336.739 2.667 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2ncnn21 ZINC000823253844 1289250398 /nfs/dbraw/zinc/25/03/98/1289250398.db2.gz PGCZSXXZCYZEPU-APPZFPTMSA-N 0 0 336.739 2.667 10 5 EFBERN Cc1nc2ccccc2n1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179874862 1289301282 /nfs/dbraw/zinc/30/12/82/1289301282.db2.gz JCGZTDUXNFYDBI-UHFFFAOYSA-N 0 0 339.355 2.782 10 5 EFBERN O=[N+]([O-])c1cccc([C@@H](O)CN2c3ccccc3CC[C@H]2CCO)c1 ZINC000823449541 1289304481 /nfs/dbraw/zinc/30/44/81/1289304481.db2.gz QHFVFOGLMRSMMJ-LPHOPBHVSA-N 0 0 342.395 2.832 10 5 EFBERN O=[N+]([O-])c1cccc([C@@H](O)CN2c3ccccc3CC[C@@H]2CCO)c1 ZINC000823449540 1289304546 /nfs/dbraw/zinc/30/45/46/1289304546.db2.gz QHFVFOGLMRSMMJ-APWZRJJASA-N 0 0 342.395 2.832 10 5 EFBERN CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@]2(C)C1 ZINC000872743982 1289353420 /nfs/dbraw/zinc/35/34/20/1289353420.db2.gz LRIVSALLLUUDAO-YVEFUNNKSA-N 0 0 348.403 2.683 10 5 EFBERN CC(=O)c1cc(N2CCO[C@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872750031 1289358801 /nfs/dbraw/zinc/35/88/01/1289358801.db2.gz NERUDHCHJTYWEN-ZDUSSCGKSA-N 0 0 332.278 2.955 10 5 EFBERN CC(=O)C1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000872799713 1289388811 /nfs/dbraw/zinc/38/88/11/1289388811.db2.gz LDVJFEQXOBZSLG-UHFFFAOYSA-N 0 0 328.372 2.717 10 5 EFBERN COc1cc2c(=O)ncn(Cc3ccc(C)c([N+](=O)[O-])c3)c2cc1F ZINC001165965105 1312711917 /nfs/dbraw/zinc/71/19/17/1312711917.db2.gz APPLLRZMLLBXGY-UHFFFAOYSA-N 0 0 343.314 2.809 10 5 EFBERN CC1(C)CCC[C@@](O)(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823957057 1289490070 /nfs/dbraw/zinc/49/00/70/1289490070.db2.gz WGJVTIVOXDJWAR-INIZCTEOSA-N 0 0 336.392 2.630 10 5 EFBERN Nc1ccc(NC(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000823921548 1289492930 /nfs/dbraw/zinc/49/29/30/1289492930.db2.gz XWZLNXPKMDXDFC-LBPRGKRZSA-N 0 0 334.376 2.790 10 5 EFBERN Nc1ccc(NC(=O)NC[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000823926752 1289494041 /nfs/dbraw/zinc/49/40/41/1289494041.db2.gz FUOLJSWTTOTTMS-JTQLQIEISA-N 0 0 336.417 2.832 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2cc(Cl)cc3c[nH]nc32)c1[N+](=O)[O-] ZINC001180390601 1289506297 /nfs/dbraw/zinc/50/62/97/1289506297.db2.gz DCCBTZGBBBFNGW-UHFFFAOYSA-N 0 0 334.723 2.662 10 5 EFBERN CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccn1 ZINC001166064178 1312726236 /nfs/dbraw/zinc/72/62/36/1312726236.db2.gz QLDPCBDAECSGHK-UHFFFAOYSA-N 0 0 332.316 2.526 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000824550085 1289695755 /nfs/dbraw/zinc/69/57/55/1289695755.db2.gz IOCNXRNNAGSPKN-DOMZBBRYSA-N 0 0 340.326 2.756 10 5 EFBERN CCCc1n[nH]c(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001181032998 1289698360 /nfs/dbraw/zinc/69/83/60/1289698360.db2.gz SIRMIRBVAIUZSH-UONOGXRCSA-N 0 0 342.399 2.879 10 5 EFBERN Nc1ccc(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001181033305 1289698641 /nfs/dbraw/zinc/69/86/41/1289698641.db2.gz VPHYGRHQQRYQFH-GJZGRUSLSA-N 0 0 325.368 2.786 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2cccnc2)[nH]n1 ZINC001181253832 1289755754 /nfs/dbraw/zinc/75/57/54/1289755754.db2.gz JVLLZTMWHITCQV-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1ccc(-n2cccn2)cc1 ZINC001166112093 1312732343 /nfs/dbraw/zinc/73/23/43/1312732343.db2.gz RHBJZGGDVYPQCU-UHFFFAOYSA-N 0 0 336.307 2.737 10 5 EFBERN Cc1cc(C(=O)Nc2nc3c(s2)CCCC3=O)c(N)c([N+](=O)[O-])c1 ZINC001181691096 1289883022 /nfs/dbraw/zinc/88/30/22/1289883022.db2.gz WEPVRYREFUYEHB-UHFFFAOYSA-N 0 0 346.368 2.713 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC000873552227 1289917497 /nfs/dbraw/zinc/91/74/97/1289917497.db2.gz JETDQYCIYFYZCK-HNNXBMFYSA-N 0 0 334.372 2.654 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCCCNC1=O ZINC000873613226 1289967054 /nfs/dbraw/zinc/96/70/54/1289967054.db2.gz YSVYDEOOTPXHSE-LSDHHAIUSA-N 0 0 348.399 2.623 10 5 EFBERN O=C(NC1CC(c2ccccc2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825682936 1289981711 /nfs/dbraw/zinc/98/17/11/1289981711.db2.gz GHMPYEQGLRALSS-VMBOVVBDSA-N 0 0 326.352 2.691 10 5 EFBERN COc1cc(OC[C@H](O)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000795542921 1290065383 /nfs/dbraw/zinc/06/53/83/1290065383.db2.gz JYSPOVOUIQIQIU-AWEZNQCLSA-N 0 0 325.267 2.994 10 5 EFBERN Cc1cc(CO)oc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803524319 1312756853 /nfs/dbraw/zinc/75/68/53/1312756853.db2.gz ZFBOPROJKKAHND-UHFFFAOYSA-N 0 0 327.239 2.624 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCCNc2ccccn2)cc1[N+](=O)[O-] ZINC001182229456 1290112701 /nfs/dbraw/zinc/11/27/01/1290112701.db2.gz TWSVIZLQKABIMA-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN COc1cc(C(=O)OCc2nnc(C(C)C)[nH]2)cc([N+](=O)[O-])c1C ZINC000795549379 1290156497 /nfs/dbraw/zinc/15/64/97/1290156497.db2.gz NUCMOCGAEZEMBT-UHFFFAOYSA-N 0 0 334.332 2.510 10 5 EFBERN CC(C)(C(=O)COC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000795553199 1290164718 /nfs/dbraw/zinc/16/47/18/1290164718.db2.gz QBHMIRFXZYRCLA-UHFFFAOYSA-N 0 0 328.324 2.694 10 5 EFBERN O=C(Cc1c[nH]c2cnccc12)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001273478293 1290279371 /nfs/dbraw/zinc/27/93/71/1290279371.db2.gz XOEQBQAVTJEDRT-UHFFFAOYSA-N 0 0 340.314 2.742 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCc2cnnn2-c2ccccc2)c1 ZINC001166406369 1312772552 /nfs/dbraw/zinc/77/25/52/1312772552.db2.gz CMNWHGJGSPCHBD-UHFFFAOYSA-N 0 0 326.312 2.763 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])C1(C(=O)C2CC2)CC1 ZINC001183835753 1290392629 /nfs/dbraw/zinc/39/26/29/1290392629.db2.gz KQDZRPPFRPQNGR-UHFFFAOYSA-N 0 0 325.324 2.841 10 5 EFBERN C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000875090293 1290467194 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CC(C)(CO)CCCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001185479741 1290688243 /nfs/dbraw/zinc/68/82/43/1290688243.db2.gz XFUSKXGGZZRSLB-UHFFFAOYSA-N 0 0 348.359 2.684 10 5 EFBERN CC[C@@H](CO)N1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001185555483 1290707587 /nfs/dbraw/zinc/70/75/87/1290707587.db2.gz SNZBOBPJJGTUPY-JTQLQIEISA-N 0 0 348.230 2.795 10 5 EFBERN COc1cc([N+](=O)[O-])cn(CCOc2ccc(F)cc2Cl)c1=O ZINC001166615428 1312803522 /nfs/dbraw/zinc/80/35/22/1312803522.db2.gz VNVGNRWFEFOMTF-UHFFFAOYSA-N 0 0 342.710 2.637 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001166622978 1312804977 /nfs/dbraw/zinc/80/49/77/1312804977.db2.gz NHRIARWGVVDAIU-UIBIWLFHSA-N 0 0 346.427 2.783 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3ccncc3C)c2c1 ZINC001185838232 1290769256 /nfs/dbraw/zinc/76/92/56/1290769256.db2.gz FGFMPHUQHZJUNL-UHFFFAOYSA-N 0 0 338.367 2.932 10 5 EFBERN COC(=O)Cc1ccc(Sc2ccc(CO)cc2)c([N+](=O)[O-])c1 ZINC001185914238 1290791185 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EFBERN Cc1ccc2c(n1)N(C(=O)CN(C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000876489177 1290930383 /nfs/dbraw/zinc/93/03/83/1290930383.db2.gz FAKGQCFDWJYABK-UHFFFAOYSA-N 0 0 340.383 2.714 10 5 EFBERN CO[C@@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC001186493007 1290964579 /nfs/dbraw/zinc/96/45/79/1290964579.db2.gz ZLOSUNJWOAOEPU-MEBBXXQBSA-N 0 0 346.343 2.912 10 5 EFBERN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CCn4ccnc43)c2c1 ZINC001186527895 1290971315 /nfs/dbraw/zinc/97/13/15/1290971315.db2.gz LNPBVCJDEQJTLL-LLVKDONJSA-N 0 0 330.735 2.945 10 5 EFBERN COC(=O)Cc1ccc(Sc2cccc(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC001186602782 1290998544 /nfs/dbraw/zinc/99/85/44/1290998544.db2.gz UBOZMBIHANJTOY-UHFFFAOYSA-N 0 0 346.364 2.560 10 5 EFBERN Cc1nc(CNc2ccc3ncccc3c2[N+](=O)[O-])sc1C(N)=O ZINC001186854352 1291039143 /nfs/dbraw/zinc/03/91/43/1291039143.db2.gz KJQWYJMIDRDCBG-UHFFFAOYSA-N 0 0 343.368 2.619 10 5 EFBERN CCOC(=O)C[C@@H](CNc1c([N+](=O)[O-])c(CC)nn1C)CC(C)C ZINC001186938389 1291042852 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EFBERN Cc1cc(F)cc(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000126483293 1291216404 /nfs/dbraw/zinc/21/64/04/1291216404.db2.gz GTQZQIOWZPFZGC-ABAIWWIYSA-N 0 0 346.362 2.962 10 5 EFBERN CC(=O)c1ccc(N[C@H]2CCS(=O)(=O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001187773904 1291222171 /nfs/dbraw/zinc/22/21/71/1291222171.db2.gz ONHGZIMWUARBQI-LBPRGKRZSA-N 0 0 340.401 2.565 10 5 EFBERN CN(C)S(=O)(=O)c1ccc(NCC(C)(C)C2CC2)c([N+](=O)[O-])c1 ZINC001187753102 1291228984 /nfs/dbraw/zinc/22/89/84/1291228984.db2.gz ZXQAJZKRJFZUMF-UHFFFAOYSA-N 0 0 341.433 2.693 10 5 EFBERN CNC(=O)c1ccc(N2C[C@@H](C3CC3)C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC001187765520 1291233654 /nfs/dbraw/zinc/23/36/54/1291233654.db2.gz HEMQQGSLGPBOSX-HOCLYGCPSA-N 0 0 329.400 2.969 10 5 EFBERN COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001187765541 1291234209 /nfs/dbraw/zinc/23/42/09/1291234209.db2.gz IDEUCIOLYNPPCI-CDLYGTGVSA-N 0 0 348.384 2.599 10 5 EFBERN 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335.429 2.798 10 5 EFBERN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC2(CC2)C1 ZINC000868621918 1304385508 /nfs/dbraw/zinc/38/55/08/1304385508.db2.gz RCKWOPQBUOCCKC-UHFFFAOYSA-N 0 0 325.162 2.522 10 5 EFBERN CC/C=C\CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868679722 1304416566 /nfs/dbraw/zinc/41/65/66/1304416566.db2.gz QEFXDRMSSWXJPI-ARJAWSKDSA-N 0 0 327.178 2.982 10 5 EFBERN CO[C@@](C)([C@H](C)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000868704375 1304431418 /nfs/dbraw/zinc/43/14/18/1304431418.db2.gz UIFPQZUECDGETR-SJCJKPOMSA-N 0 0 335.404 2.906 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000868708005 1304433668 /nfs/dbraw/zinc/43/36/68/1304433668.db2.gz QAWRACRFZMLYSR-WFASDCNBSA-N 0 0 338.379 2.844 10 5 EFBERN Cc1ccnc([C@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)c1 ZINC000868732972 1304445079 /nfs/dbraw/zinc/44/50/79/1304445079.db2.gz XYMSEWPBTKYQMY-AWEZNQCLSA-N 0 0 343.358 2.996 10 5 EFBERN Cc1cnc(CCNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000868752921 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10 5 EFBERN CC[C@@H](NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000869053729 1304591592 /nfs/dbraw/zinc/59/15/92/1304591592.db2.gz SAYXBOIGBIAEAW-OAHLLOKOSA-N 0 0 335.404 2.908 10 5 EFBERN Cc1ccc(CNC(=O)N2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000869053726 1304591663 /nfs/dbraw/zinc/59/16/63/1304591663.db2.gz RZVPKQMCLXGEQM-INIZCTEOSA-N 0 0 347.415 2.861 10 5 EFBERN Cc1ccc(CNC(=O)N2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000869053461 1304591908 /nfs/dbraw/zinc/59/19/08/1304591908.db2.gz AICNKRCMSAHLBI-UHFFFAOYSA-N 0 0 332.385 2.628 10 5 EFBERN Cc1ccc(CNC(=O)N2CC3(CCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000869053477 1304591924 /nfs/dbraw/zinc/59/19/24/1304591924.db2.gz APMXXWVCMDMURM-CYBMUJFWSA-N 0 0 333.388 2.756 10 5 EFBERN CO[C@H]1C[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000869054292 1304592333 /nfs/dbraw/zinc/59/23/33/1304592333.db2.gz IXYKAAVPRQGKLB-GJZGRUSLSA-N 0 0 333.388 2.660 10 5 EFBERN Cc1ccncc1CN(C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000869054363 1304592666 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2.837 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869285472 1304698328 /nfs/dbraw/zinc/69/83/28/1304698328.db2.gz QVHWDAMKATVBIQ-GFCCVEGCSA-N 0 0 336.363 2.837 10 5 EFBERN CC(C)(C)OC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000869307717 1304709770 /nfs/dbraw/zinc/70/97/70/1304709770.db2.gz VBHJZGOIUKYNRT-NSHDSACASA-N 0 0 327.358 2.933 10 5 EFBERN O=C(O[C@@H]1CCN(C2CCC2)C1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000869407477 1304764308 /nfs/dbraw/zinc/76/43/08/1304764308.db2.gz SIWBIFVNJBVPIA-CYBMUJFWSA-N 0 0 338.747 2.558 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CC3(CO2)CCOCC3)c1 ZINC000869418323 1304770479 /nfs/dbraw/zinc/77/04/79/1304770479.db2.gz RIFGVOIAXPVKHH-CYBMUJFWSA-N 0 0 335.356 2.646 10 5 EFBERN O=C(O[C@@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000869428140 1304775875 /nfs/dbraw/zinc/77/58/75/1304775875.db2.gz BNLZBWNTPGTJKF-GFCCVEGCSA-N 0 0 338.747 2.558 10 5 EFBERN Cc1ccc(COC(=O)[C@@H](C)Oc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000869447114 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COc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001163192629 1312260630 /nfs/dbraw/zinc/26/06/30/1312260630.db2.gz ZZWBHGVBRFUYJC-NSHDSACASA-N 0 0 329.356 2.745 10 5 EFBERN O=[N+]([O-])c1c(NCC2(N3CCOCC3)CC2)cccc1C(F)(F)F ZINC001163200111 1312262354 /nfs/dbraw/zinc/26/23/54/1312262354.db2.gz LUCHPDKRKNCHAB-UHFFFAOYSA-N 0 0 345.321 2.890 10 5 EFBERN COC(=O)c1ccnc(NCc2ccc3ncccc3c2)c1[N+](=O)[O-] ZINC001163225340 1312269026 /nfs/dbraw/zinc/26/90/26/1312269026.db2.gz UUYIZJUPQWHMJN-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC001163263717 1312276875 /nfs/dbraw/zinc/27/68/75/1312276875.db2.gz MNXOURHNJIPSGJ-QGZVFWFLSA-N 0 0 349.350 2.501 10 5 EFBERN CCCC[C@H](O)CCC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001163354540 1312295310 /nfs/dbraw/zinc/29/53/10/1312295310.db2.gz JIWMIUGGOWURMH-NSHDSACASA-N 0 0 330.331 2.821 10 5 EFBERN Cc1ccc(/C=C\C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cn1 ZINC001163355933 1312295411 /nfs/dbraw/zinc/29/54/11/1312295411.db2.gz YXBYPJFVJPCMEZ-PLNGDYQASA-N 0 0 333.294 2.906 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2cc(Br)ccn2)c(F)c1 ZINC001163378762 1312300250 /nfs/dbraw/zinc/30/02/50/1312300250.db2.gz VPFGGMMMCNUOFH-UHFFFAOYSA-N 0 0 327.113 2.899 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001230791062 1312345386 /nfs/dbraw/zinc/34/53/86/1312345386.db2.gz CRMHXBDBKQUIKY-PKIAMQTDSA-N 0 0 333.388 2.695 10 5 EFBERN Cc1cc(=O)[nH]c(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])n1 ZINC001163643244 1312352672 /nfs/dbraw/zinc/35/26/72/1312352672.db2.gz QOWBFBJBFRGWKD-UHFFFAOYSA-N 0 0 345.746 2.634 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@H]1C(F)(F)F ZINC001163702262 1312367262 /nfs/dbraw/zinc/36/72/62/1312367262.db2.gz VPGUSRFNGRECPZ-ZDUSSCGKSA-N 0 0 347.293 2.534 10 5 EFBERN Cc1cc(Oc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)ccc1C(N)=O ZINC001163745487 1312376291 /nfs/dbraw/zinc/37/62/91/1312376291.db2.gz YTLLVQLZTFTNSO-UHFFFAOYSA-N 0 0 341.323 2.679 10 5 EFBERN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)CCF ZINC001163743265 1312376584 /nfs/dbraw/zinc/37/65/84/1312376584.db2.gz GBFHJACUWVBIAN-UHFFFAOYSA-N 0 0 336.323 2.741 10 5 EFBERN COc1ncc(Br)cc1CNc1ncccc1[N+](=O)[O-] ZINC001163743809 1312376627 /nfs/dbraw/zinc/37/66/27/1312376627.db2.gz GGXQYUIKMUYEKV-UHFFFAOYSA-N 0 0 339.149 2.768 10 5 EFBERN C/C(=C/C(=O)N[C@H](c1ncon1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000803214509 1312376783 /nfs/dbraw/zinc/37/67/83/1312376783.db2.gz CSFGVEQGFZJGQU-QIENPNARSA-N 0 0 330.344 2.895 10 5 EFBERN COc1cncc(N2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC001163930642 1312409555 /nfs/dbraw/zinc/40/95/55/1312409555.db2.gz WPMYXZJOLVDGDY-UHFFFAOYSA-N 0 0 328.372 2.633 10 5 EFBERN O=c1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)[nH]c2ccccc12 ZINC001163938584 1312411069 /nfs/dbraw/zinc/41/10/69/1312411069.db2.gz FPHYWSJXRRBXQZ-UHFFFAOYSA-N 0 0 347.334 2.992 10 5 EFBERN Cc1ccc(CNc2cc(C(F)F)nc3ncnn32)cc1[N+](=O)[O-] ZINC001163946212 1312412603 /nfs/dbraw/zinc/41/26/03/1312412603.db2.gz BYHNXDYFZNGBGE-UHFFFAOYSA-N 0 0 334.286 2.891 10 5 EFBERN C[C@@H]1CCCCN1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001163960688 1312415024 /nfs/dbraw/zinc/41/50/24/1312415024.db2.gz OHXHOFWHUBABSS-SECBINFHSA-N 0 0 342.193 2.877 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N[C@@H]3COC4(CCC4)C3)c2c1 ZINC001163990108 1312421516 /nfs/dbraw/zinc/42/15/16/1312421516.db2.gz MZEKIPSLCFOAEJ-JTQLQIEISA-N 0 0 344.327 2.597 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCS2(=O)=O)c2ccncc21 ZINC001164022708 1312430542 /nfs/dbraw/zinc/43/05/42/1312430542.db2.gz UXASRNDZYUUYLK-NSHDSACASA-N 0 0 335.385 2.522 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)CCCCN2S(=O)(=O)c1ccns1 ZINC000903181731 1312438388 /nfs/dbraw/zinc/43/83/88/1312438388.db2.gz UNDXXXIJZQLONQ-UHFFFAOYSA-N 0 0 339.398 2.583 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC001164098909 1312446852 /nfs/dbraw/zinc/44/68/52/1312446852.db2.gz LIYONOZOTUBMDJ-JTQLQIEISA-N 0 0 348.281 2.942 10 5 EFBERN Cc1nc(N2C[C@H]3COC[C@@]3(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164120506 1312451359 /nfs/dbraw/zinc/45/13/59/1312451359.db2.gz VCJMTOAGDSFCRV-MAUKXSAKSA-N 0 0 325.368 2.703 10 5 EFBERN CC(=O)c1ccc(NCCc2nc(C(C)C)nn2C)c([N+](=O)[O-])c1 ZINC001164145467 1312456421 /nfs/dbraw/zinc/45/64/21/1312456421.db2.gz BDQAMUBWPBKWEL-UHFFFAOYSA-N 0 0 331.376 2.704 10 5 EFBERN CNC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001164146003 1312457259 /nfs/dbraw/zinc/45/72/59/1312457259.db2.gz LQQHQGBZWVHHSY-JTQLQIEISA-N 0 0 346.309 2.511 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(NC[C@@H](O)Cc3ccccc3F)c2c1 ZINC001164151817 1312457605 /nfs/dbraw/zinc/45/76/05/1312457605.db2.gz KCCOOAQSKHTNDU-ZDUSSCGKSA-N 0 0 342.330 2.693 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCc1cc(NC(=O)OC(C)(C)C)ccn1 ZINC001164164500 1312459864 /nfs/dbraw/zinc/45/98/64/1312459864.db2.gz DPSBXENHGAEATA-UHFFFAOYSA-N 0 0 348.363 2.682 10 5 EFBERN C[C@@H]1OC[C@]2(CC[C@H](CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)O2)[C@H]1C ZINC001164170675 1312460845 /nfs/dbraw/zinc/46/08/45/1312460845.db2.gz SDXMPYMLGOEGPG-BWCYYRKRSA-N 0 0 346.387 2.856 10 5 EFBERN O=c1[nH]ccc(NCCc2ccnn2-c2ccccc2)c1[N+](=O)[O-] ZINC001164170102 1312460897 /nfs/dbraw/zinc/46/08/97/1312460897.db2.gz JVSZBTXEZPHHKX-UHFFFAOYSA-N 0 0 325.328 2.536 10 5 EFBERN CCc1nn(C)c(NCc2c[nH]c(=O)c3ccccc23)c1[N+](=O)[O-] ZINC001164171063 1312461012 /nfs/dbraw/zinc/46/10/12/1312461012.db2.gz ZRMTWVSXOYKAEX-UHFFFAOYSA-N 0 0 327.344 2.757 10 5 EFBERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC001164177033 1312462194 /nfs/dbraw/zinc/46/21/94/1312462194.db2.gz LUAQFKQFSORKIW-BXKDBHETSA-N 0 0 340.355 2.796 10 5 EFBERN NC(=O)c1cc(N2CC3(CCC3)[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC001164191163 1312465272 /nfs/dbraw/zinc/46/52/72/1312465272.db2.gz ZWLFTSBCVVUAQE-INIZCTEOSA-N 0 0 338.367 2.820 10 5 EFBERN O=c1[nH]c2cccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2[nH]1 ZINC001164196065 1312465627 /nfs/dbraw/zinc/46/56/27/1312465627.db2.gz YPGVMLDIRBZQFA-UHFFFAOYSA-N 0 0 339.355 2.503 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001164204135 1312467320 /nfs/dbraw/zinc/46/73/20/1312467320.db2.gz OWRSSKCTTVXSJL-LLVKDONJSA-N 0 0 330.315 2.545 10 5 EFBERN CN(Cc1cccc(=O)[nH]1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001164205866 1312467404 /nfs/dbraw/zinc/46/74/04/1312467404.db2.gz JXJWFUHSABPRHU-UHFFFAOYSA-N 0 0 325.271 2.933 10 5 EFBERN NC(=O)[C@]12CCC[C@H]1CN(c1c(Cl)cc([N+](=O)[O-])cc1Cl)C2 ZINC001164250227 1312478161 /nfs/dbraw/zinc/47/81/61/1312478161.db2.gz XGEBWZGIQPBUOV-RTHLEPHNSA-N 0 0 344.198 2.993 10 5 EFBERN CC[C@@](O)(CCC(F)(F)F)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001164261444 1312480283 /nfs/dbraw/zinc/48/02/83/1312480283.db2.gz QWDLGTVBYIMISM-CYBMUJFWSA-N 0 0 349.309 2.589 10 5 EFBERN CCOc1cc(N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164264875 1312481366 /nfs/dbraw/zinc/48/13/66/1312481366.db2.gz JYZVCRZJNDIGRM-OXHZDVMGSA-N 0 0 334.372 2.993 10 5 EFBERN CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CCS1(=O)=O ZINC001164265414 1312481581 /nfs/dbraw/zinc/48/15/81/1312481581.db2.gz TYBBFYNSUSOHKY-LLVKDONJSA-N 0 0 349.412 2.911 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NCC1(OCCO)CCCCC1)CCCC2 ZINC001164288050 1312485779 /nfs/dbraw/zinc/48/57/79/1312485779.db2.gz LCUGWUVIUAQNSM-UHFFFAOYSA-N 0 0 349.431 2.992 10 5 EFBERN CC[C@H](NC(=O)N[C@@H](C)[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001231411929 1312492396 /nfs/dbraw/zinc/49/23/96/1312492396.db2.gz HKIHNDKSKQFUOC-KPXOXKRLSA-N 0 0 349.309 2.657 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)C2(C(F)(F)F)CC2)c([N+](=O)[O-])s1 ZINC000903249240 1312501810 /nfs/dbraw/zinc/50/18/10/1312501810.db2.gz UHHHVLFTPCAASO-UHFFFAOYSA-N 0 0 344.336 2.680 10 5 EFBERN Cc1cc(N2CCN(c3cnccn3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001164383024 1312505923 /nfs/dbraw/zinc/50/59/23/1312505923.db2.gz FOPMQLPHJJNJFF-LBPRGKRZSA-N 0 0 331.351 2.547 10 5 EFBERN Cc1cc(NCCN2CCNC2=S)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164400421 1312508994 /nfs/dbraw/zinc/50/89/94/1312508994.db2.gz CGPJBFQRSDLRSU-UHFFFAOYSA-N 0 0 348.350 2.524 10 5 EFBERN CCOC(OCC)[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC001164401255 1312509119 /nfs/dbraw/zinc/50/91/19/1312509119.db2.gz WWRLJYSUXVOZFZ-QMMMGPOBSA-N 0 0 348.197 2.952 10 5 EFBERN O=Cc1ccc(OCC(=O)OC[C@@H]2Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000803346599 1312535443 /nfs/dbraw/zinc/53/54/43/1312535443.db2.gz YLHTUTQTCZBCRN-AWEZNQCLSA-N 0 0 341.319 2.669 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC001164548014 1312537332 /nfs/dbraw/zinc/53/73/32/1312537332.db2.gz BNNMFAOZPHZNOF-HWPZZCPQSA-N 0 0 347.346 2.628 10 5 EFBERN Cc1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1[N+](=O)[O-] ZINC001165445475 1312632253 /nfs/dbraw/zinc/63/22/53/1312632253.db2.gz ITVYZMUOJXYAEZ-UHFFFAOYSA-N 0 0 340.295 2.570 10 5 EFBERN O=[N+]([O-])c1ccnn1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001165536776 1312644518 /nfs/dbraw/zinc/64/45/18/1312644518.db2.gz DDGVXKPWCBWNDZ-UHFFFAOYSA-N 0 0 327.094 2.510 10 5 EFBERN Cc1cccc2c1CCN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000178684471 1314663097 /nfs/dbraw/zinc/66/30/97/1314663097.db2.gz ZJVBSPJUDKFCCH-UHFFFAOYSA-N 0 0 346.408 2.791 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CCC(N)=O)cc1 ZINC001318272711 1328543278 /nfs/dbraw/zinc/54/32/78/1328543278.db2.gz CETRCLMLAUZDTH-UHFFFAOYSA-N 0 0 327.340 2.573 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(Cc2cccnc2)c1 ZINC001318279460 1328544963 /nfs/dbraw/zinc/54/49/63/1328544963.db2.gz YOJYNMVWVBRNEU-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N(O)Cc1ccc(F)cc1 ZINC001248186232 1314901813 /nfs/dbraw/zinc/90/18/13/1314901813.db2.gz YUQCNZUCZDLNFU-UHFFFAOYSA-N 0 0 333.319 2.877 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001248635104 1314950775 /nfs/dbraw/zinc/95/07/75/1314950775.db2.gz BJXZURQJGCDTJM-CJNGLKHVSA-N 0 0 343.383 2.731 10 5 EFBERN CC(C)[C@@H]1C[C@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001251117358 1315323772 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/nfs/dbraw/zinc/88/10/16/1328881016.db2.gz AEKXIXGRQAWVMA-UHFFFAOYSA-N 0 0 326.356 2.619 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Oc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC001287383092 1321463358 /nfs/dbraw/zinc/46/33/58/1321463358.db2.gz XDRAVKDLNDCVFO-UHFFFAOYSA-N 0 0 346.314 2.954 10 5 EFBERN COc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc12 ZINC001287540869 1321486814 /nfs/dbraw/zinc/48/68/14/1321486814.db2.gz SUEVXSDFVFQXQH-UHFFFAOYSA-N 0 0 326.312 2.742 10 5 EFBERN COC(=O)c1oc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1C ZINC001287589873 1321496040 /nfs/dbraw/zinc/49/60/40/1321496040.db2.gz AXUWGRGVSMGOFC-UHFFFAOYSA-N 0 0 346.339 2.532 10 5 EFBERN O=C(NCC[C@@H]1CC=CCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001287811941 1321527049 /nfs/dbraw/zinc/52/70/49/1321527049.db2.gz BKNHFMMYXHJKMU-CYBMUJFWSA-N 0 0 341.371 2.652 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1nn(C)cc1C(F)F ZINC001287954203 1321558565 /nfs/dbraw/zinc/55/85/65/1321558565.db2.gz BUPVPXQKWAJSED-UHFFFAOYSA-N 0 0 342.277 2.643 10 5 EFBERN CN1CCOc2ccc(COC(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC001287972876 1321566821 /nfs/dbraw/zinc/56/68/21/1321566821.db2.gz ZORKVMUNBFCCEM-UHFFFAOYSA-N 0 0 334.353 2.842 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](CF)c1ccc(F)cc1 ZINC001288070826 1321598847 /nfs/dbraw/zinc/59/88/47/1321598847.db2.gz JXLPWTKLSCCQEW-CYBMUJFWSA-N 0 0 336.294 2.940 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(F)c2ncccc2c1 ZINC001288216201 1321620128 /nfs/dbraw/zinc/62/01/28/1321620128.db2.gz ORHBUZPLOZAULU-UHFFFAOYSA-N 0 0 342.286 2.938 10 5 EFBERN CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001288747772 1321752183 /nfs/dbraw/zinc/75/21/83/1321752183.db2.gz GUWMPHWAMKJDJB-WDMOLILDSA-N 0 0 337.376 2.543 10 5 EFBERN Cc1nc([C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)no1 ZINC001288828620 1321771544 /nfs/dbraw/zinc/77/15/44/1321771544.db2.gz FJDHJRRLZWNEQV-SNVBAGLBSA-N 0 0 336.735 2.569 10 5 EFBERN Nc1c(C(=O)NCC[C@H]2CCCO2)cc2ccccc2c1[N+](=O)[O-] ZINC001288831311 1321772092 /nfs/dbraw/zinc/77/20/92/1321772092.db2.gz MPHVASWMNDFHLI-GFCCVEGCSA-N 0 0 329.356 2.629 10 5 EFBERN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001288883217 1321786390 /nfs/dbraw/zinc/78/63/90/1321786390.db2.gz CDYPLPUQVFHYQS-HSTIPLNKSA-N 0 0 343.383 2.640 10 5 EFBERN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001288887639 1321787791 /nfs/dbraw/zinc/78/77/91/1321787791.db2.gz WOUBOJVSGJVUOA-BFHYXJOUSA-N 0 0 340.383 2.947 10 5 EFBERN O=C(NC1CCC=CCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001288947531 1321795763 /nfs/dbraw/zinc/79/57/63/1321795763.db2.gz XZJZUVSAJSBADD-MRXNPFEDSA-N 0 0 329.356 2.703 10 5 EFBERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001288959438 1321796478 /nfs/dbraw/zinc/79/64/78/1321796478.db2.gz LOCFJXAFNGFBNT-DGCLKSJQSA-N 0 0 349.387 2.580 10 5 EFBERN Cc1c(C(=O)N=[S@@](C)(=O)C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001289028047 1321798358 /nfs/dbraw/zinc/79/83/58/1321798358.db2.gz UGKHDRPFINRZNJ-QHCPKHFHSA-N 0 0 343.361 2.848 10 5 EFBERN Cc1noc(C(C)C)c1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC001289041661 1321799270 /nfs/dbraw/zinc/79/92/70/1321799270.db2.gz LOTVEFKHJGUWRB-UHFFFAOYSA-N 0 0 335.364 2.857 10 5 EFBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001319766775 1328981414 /nfs/dbraw/zinc/98/14/14/1328981414.db2.gz GYJVGUQGRMJSOE-ZETCQYMHSA-N 0 0 326.715 2.612 10 5 EFBERN COc1cccc(F)c1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001289342257 1321813019 /nfs/dbraw/zinc/81/30/19/1321813019.db2.gz SUAJQVNJZWMYCY-UHFFFAOYSA-N 0 0 349.274 2.581 10 5 EFBERN Cc1noc(C[C@@H]2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])C2)n1 ZINC001289341572 1321813052 /nfs/dbraw/zinc/81/30/52/1321813052.db2.gz OSHJRXHTXIVUIE-ZDUSSCGKSA-N 0 0 344.371 2.690 10 5 EFBERN Cc1noc(C[C@H]2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])C2)n1 ZINC001289341571 1321813367 /nfs/dbraw/zinc/81/33/67/1321813367.db2.gz OSHJRXHTXIVUIE-CYBMUJFWSA-N 0 0 344.371 2.690 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1C ZINC001289449238 1321816949 /nfs/dbraw/zinc/81/69/49/1321816949.db2.gz LNDGCGCGZFQICE-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN CCc1noc([C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)n1 ZINC001289491203 1321818839 /nfs/dbraw/zinc/81/88/39/1321818839.db2.gz SSTWHQGFPWTGDR-OLZOCXBDSA-N 0 0 344.371 2.915 10 5 EFBERN Cc1ncncc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001289526908 1321820166 /nfs/dbraw/zinc/82/01/66/1321820166.db2.gz FKVJWVGGWGNHQN-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN COc1c(F)nccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001289567417 1321821086 /nfs/dbraw/zinc/82/10/86/1321821086.db2.gz ZLFISSQWPCXVQA-UHFFFAOYSA-N 0 0 341.245 2.868 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001289568602 1321821092 /nfs/dbraw/zinc/82/10/92/1321821092.db2.gz WVRMRUXLKYZXJS-MNOVXSKESA-N 0 0 338.335 2.504 10 5 EFBERN Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC001289784363 1321827333 /nfs/dbraw/zinc/82/73/33/1321827333.db2.gz CKHSWDRGHYEIJU-UHFFFAOYSA-N 0 0 331.284 2.829 10 5 EFBERN Cc1cc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)cc([N+](=O)[O-])c1 ZINC001289786055 1321827565 /nfs/dbraw/zinc/82/75/65/1321827565.db2.gz WYNQBBZWODRAET-UHFFFAOYSA-N 0 0 340.339 2.899 10 5 EFBERN Cc1ccc(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001290161108 1321880977 /nfs/dbraw/zinc/88/09/77/1321880977.db2.gz MNWSXHLEHQRPEZ-UHFFFAOYSA-N 0 0 328.328 2.663 10 5 EFBERN CN(C)c1cc(F)c(C(=O)Nc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC001290600498 1321934780 /nfs/dbraw/zinc/93/47/80/1321934780.db2.gz LVAQMMDRXHKMCU-UHFFFAOYSA-N 0 0 343.318 2.929 10 5 EFBERN CN(C)C(=O)c1ccccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001290798480 1321961836 /nfs/dbraw/zinc/96/18/36/1321961836.db2.gz FBDAYJUPDKDFOX-UHFFFAOYSA-N 0 0 345.330 2.617 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c(F)ccnc1Cl ZINC001290824794 1321965319 /nfs/dbraw/zinc/96/53/19/1321965319.db2.gz YGCOCGRWBPPZEO-UHFFFAOYSA-N 0 0 338.726 2.624 10 5 EFBERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001290931615 1321971153 /nfs/dbraw/zinc/97/11/53/1321971153.db2.gz SDCAOFVVIQRFKD-MRVPVSSYSA-N 0 0 331.357 2.761 10 5 EFBERN C[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCOCC1 ZINC001291037885 1321975164 /nfs/dbraw/zinc/97/51/64/1321975164.db2.gz JAANIFHOGWRKGY-IUODEOHRSA-N 0 0 343.387 2.661 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1nccs1 ZINC001291003882 1321975602 /nfs/dbraw/zinc/97/56/02/1321975602.db2.gz VBEXBRLSQSQHMK-UHFFFAOYSA-N 0 0 325.777 2.954 10 5 EFBERN CC(C)(O)CN1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001306953181 1321976628 /nfs/dbraw/zinc/97/66/28/1321976628.db2.gz PPAULZAVVJBADW-UHFFFAOYSA-N 0 0 348.230 2.795 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccccc2)cs1 ZINC001291700918 1321998872 /nfs/dbraw/zinc/99/88/72/1321998872.db2.gz RYYZUDSQRYZUBM-UHFFFAOYSA-N 0 0 342.380 2.987 10 5 EFBERN CCc1nc2cc(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC001291758205 1322009339 /nfs/dbraw/zinc/00/93/39/1322009339.db2.gz IMVSZYWFXCTOLR-INIZCTEOSA-N 0 0 341.323 2.971 10 5 EFBERN CC[C@H]1CCc2nc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)sc2C1 ZINC001291800829 1322013486 /nfs/dbraw/zinc/01/34/86/1322013486.db2.gz FNQANXRSIBJVIC-QMMMGPOBSA-N 0 0 347.400 2.796 10 5 EFBERN CNc1c(C(=O)N[C@@H](C)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001291928984 1322023419 /nfs/dbraw/zinc/02/34/19/1322023419.db2.gz NWZYBCASDUYPAH-NSHDSACASA-N 0 0 347.346 2.973 10 5 EFBERN CNc1c(C(=O)N[C@H](C)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001291928981 1322023655 /nfs/dbraw/zinc/02/36/55/1322023655.db2.gz NWZYBCASDUYPAH-LLVKDONJSA-N 0 0 347.346 2.973 10 5 EFBERN C[C@@H]1CCC[C@](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])([NH+](C)C)C1 ZINC001291945428 1322024176 /nfs/dbraw/zinc/02/41/76/1322024176.db2.gz FBGPYHFJFXXZEW-PXAZEXFGSA-N 0 0 335.404 2.541 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]cnc2c1F ZINC001291970166 1322025981 /nfs/dbraw/zinc/02/59/81/1322025981.db2.gz MTNWQKUYIOREJD-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN CC(=O)Nc1cc(F)ccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001291969787 1322026015 /nfs/dbraw/zinc/02/60/15/1322026015.db2.gz KPYQKKQZIHUDTH-UHFFFAOYSA-N 0 0 345.330 2.665 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=C[S@](=O)CCC1 ZINC001292086732 1322036603 /nfs/dbraw/zinc/03/66/03/1322036603.db2.gz ZLOQJHSVTFVVSF-HSZRJFAPSA-N 0 0 336.413 2.758 10 5 EFBERN Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n(-c2cccc(Cl)c2)n1 ZINC001292698265 1322106665 /nfs/dbraw/zinc/10/66/65/1322106665.db2.gz MMUOQMVDKWBETF-UHFFFAOYSA-N 0 0 346.734 2.718 10 5 EFBERN Cc1ccc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)cc1C(N)=O ZINC001292779681 1322119621 /nfs/dbraw/zinc/11/96/21/1322119621.db2.gz JXZIXSZNXGHHMQ-UHFFFAOYSA-N 0 0 349.293 2.841 10 5 EFBERN Cc1nn(C)cc1[C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001292781988 1322120171 /nfs/dbraw/zinc/12/01/71/1322120171.db2.gz PFKOLGDCWZGJRO-VIFPVBQESA-N 0 0 336.779 2.710 10 5 EFBERN CN(Cc1ncc[nH]1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001292945521 1322156385 /nfs/dbraw/zinc/15/63/85/1322156385.db2.gz AXIMPKVIWZHEBP-UHFFFAOYSA-N 0 0 337.339 2.652 10 5 EFBERN Cc1ccc2n[nH]cc2c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001293023941 1322174233 /nfs/dbraw/zinc/17/42/33/1322174233.db2.gz VHKNWVDJOZQJRQ-UHFFFAOYSA-N 0 0 340.339 2.588 10 5 EFBERN O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1n[nH]cc1[N+](=O)[O-] ZINC001293056781 1322181396 /nfs/dbraw/zinc/18/13/96/1322181396.db2.gz UCVHOCMJAYUCKN-UHFFFAOYSA-N 0 0 343.274 2.897 10 5 EFBERN CC[C@H](C)[C@](C)(O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001293391677 1322242211 /nfs/dbraw/zinc/24/22/11/1322242211.db2.gz BBBRUIFASWBBRM-BBATYDOGSA-N 0 0 345.399 2.857 10 5 EFBERN COc1ccccc1C1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CCC1 ZINC001293499066 1322269198 /nfs/dbraw/zinc/26/91/98/1322269198.db2.gz GGGOJJLKQMEWRC-UHFFFAOYSA-N 0 0 341.367 2.995 10 5 EFBERN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001293501358 1322269637 /nfs/dbraw/zinc/26/96/37/1322269637.db2.gz SXOXIVRCLJOAEW-XHDPSFHLSA-N 0 0 335.404 2.748 10 5 EFBERN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293500889 1322270105 /nfs/dbraw/zinc/27/01/05/1322270105.db2.gz OMKWPJHNXLLBBA-GZMMTYOYSA-N 0 0 344.799 2.542 10 5 EFBERN Cc1nc(C(C)(C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)sc1C ZINC001293634516 1322303188 /nfs/dbraw/zinc/30/31/88/1322303188.db2.gz HQQNEOKXRGSSPT-UHFFFAOYSA-N 0 0 343.796 2.710 10 5 EFBERN O=Cc1cncc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001293659362 1322312265 /nfs/dbraw/zinc/31/22/65/1322312265.db2.gz GCLPQIQTLAUQIF-MRXNPFEDSA-N 0 0 343.364 2.690 10 5 EFBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@H](C(F)(F)F)C1 ZINC001293745344 1322341339 /nfs/dbraw/zinc/34/13/39/1322341339.db2.gz JLLHQVNLFZGXAV-VIFPVBQESA-N 0 0 338.669 2.652 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cnc([C@@H](C)O)s2)cc1[N+](=O)[O-] ZINC001294093905 1322407459 /nfs/dbraw/zinc/40/74/59/1322407459.db2.gz FCCQNMJVPBRIQR-NXEZZACHSA-N 0 0 335.385 2.904 10 5 EFBERN Cc1[nH]c(=O)ccc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001294686075 1322542645 /nfs/dbraw/zinc/54/26/45/1322542645.db2.gz GUMOFKFRFIAAAD-UHFFFAOYSA-N 0 0 327.340 2.809 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccccc1 ZINC001294694066 1322543754 /nfs/dbraw/zinc/54/37/54/1322543754.db2.gz VCLZPSWGZVRCNV-AWEZNQCLSA-N 0 0 332.381 2.780 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1c2ccccc2C[C@H]1O ZINC001294752501 1322555969 /nfs/dbraw/zinc/55/59/69/1322555969.db2.gz VXTXUGDMGUZAHE-NVXWUHKLSA-N 0 0 346.770 2.565 10 5 EFBERN CC[C@H](NC(=O)N[C@@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000836515557 1322563473 /nfs/dbraw/zinc/56/34/73/1322563473.db2.gz CJNFGPUMJJWPFG-UONOGXRCSA-N 0 0 329.360 2.687 10 5 EFBERN Cc1ccc(CO)cc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001294908377 1322595649 /nfs/dbraw/zinc/59/56/49/1322595649.db2.gz VITGDGNKQZHAAS-UHFFFAOYSA-N 0 0 335.747 2.883 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)n1 ZINC001294952892 1322608406 /nfs/dbraw/zinc/60/84/06/1322608406.db2.gz KIXYTMLGVAIMJJ-LBPRGKRZSA-N 0 0 329.356 2.707 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(CCO)cc1 ZINC001294966194 1322611481 /nfs/dbraw/zinc/61/14/81/1322611481.db2.gz AONUHXWIWBCPHD-UHFFFAOYSA-N 0 0 342.351 2.731 10 5 EFBERN CC[C@@H](C[C@@H](C)CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001295014602 1322618755 /nfs/dbraw/zinc/61/87/55/1322618755.db2.gz ZDTDOEYVXHNXSH-PWSUYJOCSA-N 0 0 328.796 2.704 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cnc2ccccn12 ZINC001295029497 1322620771 /nfs/dbraw/zinc/62/07/71/1322620771.db2.gz KPKJUKLJHLCBSZ-UHFFFAOYSA-N 0 0 330.731 2.826 10 5 EFBERN CC(C)(C)OC(=O)NCCCOCCNc1sccc1[N+](=O)[O-] ZINC001307183143 1322630412 /nfs/dbraw/zinc/63/04/12/1322630412.db2.gz QPVMSONLPSVALA-UHFFFAOYSA-N 0 0 345.421 3.000 10 5 EFBERN CC(=O)c1ccc(NC[C@H](n2cncn2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001307186153 1322656361 /nfs/dbraw/zinc/65/63/61/1322656361.db2.gz QYFHEBVXVUUNMX-LBPRGKRZSA-N 0 0 343.265 2.604 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001295393164 1322694223 /nfs/dbraw/zinc/69/42/23/1322694223.db2.gz ABMQBNDEDBATAP-QWHCGFSZSA-N 0 0 338.791 2.676 10 5 EFBERN CNc1c(C(=O)NCCc2ccc(C(C)=O)cc2)cccc1[N+](=O)[O-] ZINC001295526100 1322717852 /nfs/dbraw/zinc/71/78/52/1322717852.db2.gz KVNSZNJKMMMTQY-UHFFFAOYSA-N 0 0 341.367 2.812 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001295526061 1322717983 /nfs/dbraw/zinc/71/79/83/1322717983.db2.gz IWYTVTRTFJGJBD-UHFFFAOYSA-N 0 0 330.315 2.909 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1([C@@H](C)CCO)CCC1 ZINC001295633539 1322738823 /nfs/dbraw/zinc/73/88/23/1322738823.db2.gz KJIXZWSXSZVLGS-LBPRGKRZSA-N 0 0 338.379 2.961 10 5 EFBERN CN1CCc2ccc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])cc21 ZINC001295634875 1322739241 /nfs/dbraw/zinc/73/92/41/1322739241.db2.gz UDMKBJBXMXGHFF-UHFFFAOYSA-N 0 0 329.331 2.907 10 5 EFBERN COc1cccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC001295665539 1322746015 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EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC001296090790 1322850751 /nfs/dbraw/zinc/85/07/51/1322850751.db2.gz KMLVNDIXZLGEHC-UHFFFAOYSA-N 0 0 331.332 2.631 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](CO)Cc1ccccc1 ZINC001296110834 1322854910 /nfs/dbraw/zinc/85/49/10/1322854910.db2.gz NCYTYUOKKLNGTI-CQSZACIVSA-N 0 0 348.786 2.511 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1O ZINC001296385898 1322899937 /nfs/dbraw/zinc/89/99/37/1322899937.db2.gz JXOWDFABNFNPFB-UHFFFAOYSA-N 0 0 348.286 2.787 10 5 EFBERN CC(C)(C)OC1CC(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001296400235 1322903706 /nfs/dbraw/zinc/90/37/06/1322903706.db2.gz FPUOQSLAZFXJJK-UHFFFAOYSA-N 0 0 335.404 2.891 10 5 EFBERN C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001307211594 1322932376 /nfs/dbraw/zinc/93/23/76/1322932376.db2.gz AYEBGHLAVGHJDI-OAHLLOKOSA-N 0 0 335.291 2.962 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@](F)(c2ccccc2)C1 ZINC001296898980 1323051304 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348.750 2.681 10 5 EFBERN Nc1ncc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001298260639 1323477118 /nfs/dbraw/zinc/47/71/18/1323477118.db2.gz HDSSTKAGJGRXSR-CYBMUJFWSA-N 0 0 326.356 2.592 10 5 EFBERN O=C(N[C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001298407199 1323516591 /nfs/dbraw/zinc/51/65/91/1323516591.db2.gz MROSJAJMBBICFT-CYBMUJFWSA-N 0 0 338.722 2.851 10 5 EFBERN C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001298565034 1323566082 /nfs/dbraw/zinc/56/60/82/1323566082.db2.gz MXGFSSMKBIKXBW-BBATYDOGSA-N 0 0 343.383 2.611 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC/C=C/c1cccnc1 ZINC001298673589 1323585913 /nfs/dbraw/zinc/58/59/13/1323585913.db2.gz MCALWPVWDCHAID-DUXPYHPUSA-N 0 0 329.331 2.891 10 5 EFBERN CCOc1ccc(C(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc1[N+](=O)[O-] ZINC001298764625 1323603597 /nfs/dbraw/zinc/60/35/97/1323603597.db2.gz HXOUYOFMLOBYFY-UHFFFAOYSA-N 0 0 342.311 2.828 10 5 EFBERN Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC001298875046 1323627121 /nfs/dbraw/zinc/62/71/21/1323627121.db2.gz GWZXKQJUMZRVRO-UHFFFAOYSA-N 0 0 341.302 2.754 10 5 EFBERN O=C(Nc1cc(O)c(F)cc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001298972029 1323651495 /nfs/dbraw/zinc/65/14/95/1323651495.db2.gz DUJNNVGGFUAUBU-UHFFFAOYSA-N 0 0 338.222 2.560 10 5 EFBERN COc1nccc2c(NC(=O)c3ccc([N+](=O)[O-])cc3N)cccc12 ZINC001299105384 1323693299 /nfs/dbraw/zinc/69/32/99/1323693299.db2.gz FTJGMUBQVXISOQ-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(O)c1 ZINC001299932967 1323713147 /nfs/dbraw/zinc/71/31/47/1323713147.db2.gz CUIICHJYVZNKFS-VIFPVBQESA-N 0 0 336.294 2.999 10 5 EFBERN Nc1c(F)cccc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933564 1323713448 /nfs/dbraw/zinc/71/34/48/1323713448.db2.gz RNCRZFPYXYGCPR-UHFFFAOYSA-N 0 0 325.246 2.524 10 5 EFBERN CC(C)(C)c1nc[nH]c1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933566 1323713492 /nfs/dbraw/zinc/71/34/92/1323713492.db2.gz RVCBLPRYPMGORE-UHFFFAOYSA-N 0 0 338.314 2.824 10 5 EFBERN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001299947954 1323714011 /nfs/dbraw/zinc/71/40/11/1323714011.db2.gz NUMRQPPFDZZDLI-YDHLFZDLSA-N 0 0 342.355 2.912 10 5 EFBERN CNc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1[N+](=O)[O-] ZINC001300995096 1324518084 /nfs/dbraw/zinc/51/80/84/1324518084.db2.gz SANNNEYVMLNNDJ-UHFFFAOYSA-N 0 0 328.328 2.847 10 5 EFBERN Cc1c[nH]c(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001301691584 1324556370 /nfs/dbraw/zinc/55/63/70/1324556370.db2.gz NWUVUTHFTWLWLF-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN O=C(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCCCC1 ZINC001302928351 1324588671 /nfs/dbraw/zinc/58/86/71/1324588671.db2.gz IMRCXXOGJMGLKD-UHFFFAOYSA-N 0 0 348.355 2.593 10 5 EFBERN C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])Cc2cncnc21 ZINC001302945221 1324588781 /nfs/dbraw/zinc/58/87/81/1324588781.db2.gz BLULOUSNBCXJGY-VIFPVBQESA-N 0 0 332.747 2.798 10 5 EFBERN CCc1nccn1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001303470295 1324607678 /nfs/dbraw/zinc/60/76/78/1324607678.db2.gz UHGUGFYMIZYFDZ-UHFFFAOYSA-N 0 0 348.378 2.587 10 5 EFBERN C[C@@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC001303499327 1324608649 /nfs/dbraw/zinc/60/86/49/1324608649.db2.gz WZNZELRSOYGGME-GHMZBOCLSA-N 0 0 328.372 2.934 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc2nsnc21 ZINC001303563024 1324612467 /nfs/dbraw/zinc/61/24/67/1324612467.db2.gz LMAOQNDARLDWMR-UHFFFAOYSA-N 0 0 343.368 2.571 10 5 EFBERN Cc1c(Br)cc(F)cc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303574794 1324613446 /nfs/dbraw/zinc/61/34/46/1324613446.db2.gz KJWIJNFMWMFJRA-UHFFFAOYSA-N 0 0 343.112 2.780 10 5 EFBERN COc1cc2c(cc1O)CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC001303715232 1324619071 /nfs/dbraw/zinc/61/90/71/1324619071.db2.gz RAGJPIQQZHTBRW-UHFFFAOYSA-N 0 0 346.314 2.647 10 5 EFBERN Cc1cccc(C(=O)NC[C@](C)(O)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001303813603 1324620956 /nfs/dbraw/zinc/62/09/56/1324620956.db2.gz HSNBLHIOQVYIOO-KRWDZBQOSA-N 0 0 332.331 2.680 10 5 EFBERN Cc1cc(C(=O)NCC[C@@H]2CCC3(CCC3)O2)c(N)c([N+](=O)[O-])c1 ZINC001303959224 1324628362 /nfs/dbraw/zinc/62/83/62/1324628362.db2.gz KQNOEUCFOIKZJA-LBPRGKRZSA-N 0 0 333.388 2.707 10 5 EFBERN O=C(NC1CC(Cl)(Cl)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001304042033 1324633235 /nfs/dbraw/zinc/63/32/35/1324633235.db2.gz CJRMOSUSIDGMGC-UHFFFAOYSA-N 0 0 329.143 2.537 10 5 EFBERN Cc1cc([C@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001304123464 1324640621 /nfs/dbraw/zinc/64/06/21/1324640621.db2.gz IIEBOGWAKFUDNI-MRXNPFEDSA-N 0 0 344.371 2.759 10 5 EFBERN C[C@H](CNC(=O)/C=C\[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC001304193546 1324645518 /nfs/dbraw/zinc/64/55/18/1324645518.db2.gz IGCGLTJDYGTKIT-MPBQIQEOSA-N 0 0 334.372 2.522 10 5 EFBERN C[C@]12CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001304204293 1324645881 /nfs/dbraw/zinc/64/58/81/1324645881.db2.gz RZEVFORVGDJKTD-PBQYVJEFSA-N 0 0 330.384 2.523 10 5 EFBERN Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC001320576066 1329169896 /nfs/dbraw/zinc/16/98/96/1329169896.db2.gz ODCHMKBMUCASCE-GFCCVEGCSA-N 0 0 328.376 2.609 10 5 EFBERN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1C ZINC001304490577 1324651644 /nfs/dbraw/zinc/65/16/44/1324651644.db2.gz PKQPIBYCCHQNHE-UHFFFAOYSA-N 0 0 330.344 2.885 10 5 EFBERN CC(=O)c1cccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001304501154 1324652158 /nfs/dbraw/zinc/65/21/58/1324652158.db2.gz PZAUECOFCHOPIG-UHFFFAOYSA-N 0 0 343.339 2.706 10 5 EFBERN Cc1ccc(NC(=O)c2c(Cl)n[nH]c2C2CC2)c(N)c1[N+](=O)[O-] ZINC001304499335 1324652225 /nfs/dbraw/zinc/65/22/25/1324652225.db2.gz ZQVBDONAAGZTQN-UHFFFAOYSA-N 0 0 335.751 2.992 10 5 EFBERN Cc1ccc(NC(=O)[C@H](O)c2ccc(Cl)cc2)c(N)c1[N+](=O)[O-] ZINC001304500258 1324652660 /nfs/dbraw/zinc/65/26/60/1324652660.db2.gz IFAUOHCKQHVNNA-CQSZACIVSA-N 0 0 335.747 2.811 10 5 EFBERN COc1ccc(F)cc1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320579432 1329170163 /nfs/dbraw/zinc/17/01/63/1329170163.db2.gz QNPDPCFREBJVBY-UHFFFAOYSA-N 0 0 345.330 2.968 10 5 EFBERN COc1c(F)nccc1NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001304717770 1324660635 /nfs/dbraw/zinc/66/06/35/1324660635.db2.gz IQTFOUGFIPPEKT-UHFFFAOYSA-N 0 0 341.245 2.976 10 5 EFBERN Cc1cccnc1[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001305318895 1324680820 /nfs/dbraw/zinc/68/08/20/1324680820.db2.gz KWPTUFPUODYZRI-SNVBAGLBSA-N 0 0 329.312 2.518 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001306056241 1324697126 /nfs/dbraw/zinc/69/71/26/1324697126.db2.gz OIPFYJJCGZOPNW-JTQLQIEISA-N 0 0 335.360 2.594 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCc1csc(=O)[nH]1 ZINC001306695792 1324718873 /nfs/dbraw/zinc/71/88/73/1324718873.db2.gz IZPAGIUNHDAQHR-UHFFFAOYSA-N 0 0 341.776 2.659 10 5 EFBERN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC001306779163 1324722016 /nfs/dbraw/zinc/72/20/16/1324722016.db2.gz FWXCIUVMTYWCGK-BZNIZROVSA-N 0 0 348.786 2.970 10 5 EFBERN 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333.279 2.657 10 5 EFBERN COc1ccc2c(c1)O[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])CC2 ZINC001345654535 1332556194 /nfs/dbraw/zinc/55/61/94/1332556194.db2.gz LFUFVDUFGQQBKE-AWEZNQCLSA-N 0 0 337.372 2.768 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001345693627 1332562166 /nfs/dbraw/zinc/56/21/66/1332562166.db2.gz IPPWLEIVDMHBOF-ZDUSSCGKSA-N 0 0 329.356 2.573 10 5 EFBERN COc1ccc(NC(=O)NC[C@@](C)(O)CCC(C)C)c([N+](=O)[O-])c1 ZINC001345728521 1332567249 /nfs/dbraw/zinc/56/72/49/1332567249.db2.gz ZEVSNZRYVSJWOX-INIZCTEOSA-N 0 0 339.392 2.912 10 5 EFBERN CCOc1cc(N2CCc3cc(Cl)nnc3C2)ccc1[N+](=O)[O-] ZINC001345731880 1332567407 /nfs/dbraw/zinc/56/74/07/1332567407.db2.gz CQWVGYBAUIYKGK-UHFFFAOYSA-N 0 0 334.763 3.000 10 5 EFBERN CN(c1nnc(-c2ccc([N+](=O)[O-])o2)n1C[C@@H]1CCCCO1)C1CC1 ZINC001345820640 1332576254 /nfs/dbraw/zinc/57/62/54/1332576254.db2.gz LAWATJMBUXCULS-LBPRGKRZSA-N 0 0 347.375 2.614 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001345822562 1332576486 /nfs/dbraw/zinc/57/64/86/1332576486.db2.gz CLBKYIAPVZGUHL-DLBZAZTESA-N 0 0 347.415 2.880 10 5 EFBERN COC(=O)[C@H]1C[C@@H]2C[C@H](OC(=O)c3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC001345969163 1332588888 /nfs/dbraw/zinc/58/88/88/1332588888.db2.gz QTHJPLMSGZBVHH-OICBVUGWSA-N 0 0 333.340 2.648 10 5 EFBERN O=C(CC[C@@H]1CCCCO1)Oc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001345977041 1332589526 /nfs/dbraw/zinc/58/95/26/1332589526.db2.gz QUEPIEUYMLHJCW-NSHDSACASA-N 0 0 337.328 2.621 10 5 EFBERN C[C@@H]1CC[C@H](CCC(=O)Oc2cc3c(cc2[N+](=O)[O-])OCCO3)O1 ZINC001345977244 1332589853 /nfs/dbraw/zinc/58/98/53/1332589853.db2.gz RKBKIELCDAFMLS-GHMZBOCLSA-N 0 0 337.328 2.619 10 5 EFBERN C[C@H](NC(=O)N1CC[C@H]1[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC001346103930 1332599404 /nfs/dbraw/zinc/59/94/04/1332599404.db2.gz OUHBLDZKHMUGIH-GUTXKFCHSA-N 0 0 333.388 2.866 10 5 EFBERN CNC(=O)C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC001346115961 1332601158 /nfs/dbraw/zinc/60/11/58/1332601158.db2.gz GYKGTEWNMJNVQP-CYBMUJFWSA-N 0 0 348.380 2.619 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC001346198597 1332610631 /nfs/dbraw/zinc/61/06/31/1332610631.db2.gz ZBXDPBMIHVLFMC-AWEZNQCLSA-N 0 0 329.356 2.962 10 5 EFBERN CN(CCCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001346227493 1332614379 /nfs/dbraw/zinc/61/43/79/1332614379.db2.gz VOXVLEJFSQOICT-VMPITWQZSA-N 0 0 328.315 2.738 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001346376736 1332631646 /nfs/dbraw/zinc/63/16/46/1332631646.db2.gz XINUYDDQWZKALX-MRXNPFEDSA-N 0 0 349.431 2.984 10 5 EFBERN CC(C)c1ccc(C(=O)OC[C@@]2(C)CCN(C)C2=O)cc1[N+](=O)[O-] ZINC001346412492 1332637269 /nfs/dbraw/zinc/63/72/69/1332637269.db2.gz JYIXGVZQSXBTAE-QGZVFWFLSA-N 0 0 334.372 2.743 10 5 EFBERN CC[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCCCO1 ZINC001346453467 1332643258 /nfs/dbraw/zinc/64/32/58/1332643258.db2.gz VLEXNRWOUUMIRY-HZPDHXFCSA-N 0 0 333.388 2.968 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CC[C@H](O)[C@@H](F)C1 ZINC001346630297 1332665748 /nfs/dbraw/zinc/66/57/48/1332665748.db2.gz HWNAQLSONGKCBR-WFASDCNBSA-N 0 0 333.319 2.685 10 5 EFBERN CO[C@@]1(CNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CCSC1 ZINC001346655033 1332669070 /nfs/dbraw/zinc/66/90/70/1332669070.db2.gz CURQGFTWUNXMLL-CQSZACIVSA-N 0 0 325.390 2.547 10 5 EFBERN C[C@@H](NC(=O)N1CC[C@H]1[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC001346700226 1332675402 /nfs/dbraw/zinc/67/54/02/1332675402.db2.gz OUHBLDZKHMUGIH-IPYPFGDCSA-N 0 0 333.388 2.866 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NC2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC001346702768 1332675495 /nfs/dbraw/zinc/67/54/95/1332675495.db2.gz NRJDKOQCMNNKSE-UHFFFAOYSA-N 0 0 346.355 2.678 10 5 EFBERN CC(C)(C(=O)OCCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001346738880 1332680153 /nfs/dbraw/zinc/68/01/53/1332680153.db2.gz GNAVECUYIJYANN-LBPRGKRZSA-N 0 0 329.299 2.840 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001346786448 1332689043 /nfs/dbraw/zinc/68/90/43/1332689043.db2.gz JLDSGCVFLIOPCX-YNEHKIRRSA-N 0 0 332.356 2.821 10 5 EFBERN O=C(COC(=O)[C@@H]1CCC[C@H]2C[C@H]21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001346788477 1332689427 /nfs/dbraw/zinc/68/94/27/1332689427.db2.gz XZNBBMRBEFMCGN-MVWJERBFSA-N 0 0 336.319 2.652 10 5 EFBERN C[C@H](CNC(=O)N1CC[C@H]1[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC001346845343 1332695650 /nfs/dbraw/zinc/69/56/50/1332695650.db2.gz BNKGDZWLZUTPCG-FMKPAKJESA-N 0 0 347.415 2.909 10 5 EFBERN Cc1cc2c(cc1C)N(c1nnc(C[N+](=O)[O-])n1CC1CC1)CC2 ZINC001346936303 1332704799 /nfs/dbraw/zinc/70/47/99/1332704799.db2.gz LRMIDRRXKSJBNY-UHFFFAOYSA-N 0 0 327.388 2.776 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)c1c(C)nn(Cc2ccccc2)c1C ZINC001347430154 1332744280 /nfs/dbraw/zinc/74/42/80/1332744280.db2.gz JOCLGENSWQFNKD-HNNXBMFYSA-N 0 0 331.372 2.760 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001347430897 1332744546 /nfs/dbraw/zinc/74/45/46/1332744546.db2.gz RDZVTVDAFNHJHH-OLZOCXBDSA-N 0 0 344.408 2.622 10 5 EFBERN COCC[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC001347562197 1332756091 /nfs/dbraw/zinc/75/60/91/1332756091.db2.gz HFGZACVXBXSHLI-ZDUSSCGKSA-N 0 0 333.319 2.637 10 5 EFBERN COCC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])c1cccnc1 ZINC001347563611 1332756282 /nfs/dbraw/zinc/75/62/82/1332756282.db2.gz OCMBNZLUPMRTEO-OAHLLOKOSA-N 0 0 329.356 2.806 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001347648134 1332763278 /nfs/dbraw/zinc/76/32/78/1332763278.db2.gz YYCWFBYXTQCSIT-KBPBESRZSA-N 0 0 325.368 2.786 10 5 EFBERN CC[C@@H](C)n1nccc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001347703259 1332767350 /nfs/dbraw/zinc/76/73/50/1332767350.db2.gz DBJVXWNBBOOZPD-SECBINFHSA-N 0 0 338.314 2.971 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001347739008 1332769914 /nfs/dbraw/zinc/76/99/14/1332769914.db2.gz TUTASWQOQLIKQS-UHFFFAOYSA-N 0 0 346.324 2.669 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C2OCCO2)cc1 ZINC001347743342 1332770479 /nfs/dbraw/zinc/77/04/79/1332770479.db2.gz NLXDUEAZLLHSPH-UHFFFAOYSA-N 0 0 345.307 2.868 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001347834954 1332776625 /nfs/dbraw/zinc/77/66/25/1332776625.db2.gz SUOOIQNITGTIPK-IEBDPFPHSA-N 0 0 326.299 2.767 10 5 EFBERN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)c(C)c1 ZINC001347877363 1332780414 /nfs/dbraw/zinc/78/04/14/1332780414.db2.gz DQRUOXGPSAQSAA-UHFFFAOYSA-N 0 0 340.383 2.569 10 5 EFBERN C[C@@H](NC(=O)N1CC[C@@H]1[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001347896531 1332782615 /nfs/dbraw/zinc/78/26/15/1332782615.db2.gz ZUKKTZPNUNWHIF-XNRPHZJLSA-N 0 0 333.388 2.866 10 5 EFBERN C[C@H]1CCC(F)(F)CN1c1nnc(CCC[N+](=O)[O-])n1CC1CC1 ZINC001348177721 1332808300 /nfs/dbraw/zinc/80/83/00/1332808300.db2.gz FVSUZXKDJGTTGR-NSHDSACASA-N 0 0 343.378 2.521 10 5 EFBERN CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001348245044 1332816661 /nfs/dbraw/zinc/81/66/61/1332816661.db2.gz LGPPJFVAJZEEBG-JKSUJKDBSA-N 0 0 339.351 2.697 10 5 EFBERN O=C(NC1([C@H]2CCCO2)CCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001348265467 1332819119 /nfs/dbraw/zinc/81/91/19/1332819119.db2.gz BIJXFMOFDASCPS-OAHLLOKOSA-N 0 0 329.356 2.908 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1([C@H]2CCCO2)CCC1 ZINC001348267221 1332819809 /nfs/dbraw/zinc/81/98/09/1332819809.db2.gz KYOPTVDFPHLLAC-MRXNPFEDSA-N 0 0 346.383 2.776 10 5 EFBERN COC(=O)Cc1occ(C)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001348437904 1332835823 /nfs/dbraw/zinc/83/58/23/1332835823.db2.gz CQKWQSUGUDARIG-UHFFFAOYSA-N 0 0 336.275 2.603 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001348439117 1332836137 /nfs/dbraw/zinc/83/61/37/1332836137.db2.gz RWNJFJQQFQZYEI-GTNSWQLSSA-N 0 0 341.298 2.582 10 5 EFBERN Cc1cnc2c(cnn2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001348439984 1332836421 /nfs/dbraw/zinc/83/64/21/1332836421.db2.gz VVBFZCGNTDQCME-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN COc1cc(CN(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)sn1 ZINC001348495103 1332842923 /nfs/dbraw/zinc/84/29/23/1332842923.db2.gz NTGHLYOULAIWQJ-JTQLQIEISA-N 0 0 335.385 2.822 10 5 EFBERN COc1c(-c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)cnn1C ZINC001348607298 1332853238 /nfs/dbraw/zinc/85/32/38/1332853238.db2.gz GZUPODDNCAGWDM-UHFFFAOYSA-N 0 0 329.316 2.671 10 5 EFBERN COc1cc(C(=O)N(C)CCOc2ccccc2)c([N+](=O)[O-])cc1F ZINC001348623482 1332854833 /nfs/dbraw/zinc/85/48/33/1332854833.db2.gz UFMRAGMWMITWTA-UHFFFAOYSA-N 0 0 348.330 2.894 10 5 EFBERN COc1ccccc1OCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001348687276 1332859632 /nfs/dbraw/zinc/85/96/32/1332859632.db2.gz VZZJMAICCLMFKJ-UHFFFAOYSA-N 0 0 348.330 2.860 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001348806745 1332872686 /nfs/dbraw/zinc/87/26/86/1332872686.db2.gz CYAWYWCGPVCCRV-UKRRQHHQSA-N 0 0 336.363 2.694 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001348806378 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EFBERN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1c(F)cccc1[N+](=O)[O-] ZINC001356000645 1334928182 /nfs/dbraw/zinc/92/81/82/1334928182.db2.gz FNJCRYLSNIELCC-UHFFFAOYSA-N 0 0 329.287 2.871 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc2c(n1)OCCO2 ZINC000848840459 1334931302 /nfs/dbraw/zinc/93/13/02/1334931302.db2.gz ADAUFINAEIMQGQ-LLVKDONJSA-N 0 0 344.323 2.987 10 5 EFBERN O=c1oc2ccccc2cc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC001473004313 1334941424 /nfs/dbraw/zinc/94/14/24/1334941424.db2.gz ZOBNTEYBYTXOMI-UHFFFAOYSA-N 0 0 332.699 2.565 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)nn1 ZINC001356237936 1334999138 /nfs/dbraw/zinc/99/91/38/1334999138.db2.gz NIEVTFJJMYMZPT-UHFFFAOYSA-N 0 0 327.127 2.622 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2oc(=O)n3C)c1C ZINC001356380877 1335028236 /nfs/dbraw/zinc/02/82/36/1335028236.db2.gz NAJOSSHIHRHVKI-UHFFFAOYSA-N 0 0 341.323 2.909 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001356389055 1335029942 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Cc1cn(CC(=O)Oc2cc(F)cc([N+](=O)[O-])c2)nc1C(F)(F)F ZINC001357152982 1335286836 /nfs/dbraw/zinc/28/68/36/1335286836.db2.gz IWYXYVXMAVDDMN-UHFFFAOYSA-N 0 0 347.224 2.863 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ncc2cc(Cl)ccn21 ZINC001357199371 1335290950 /nfs/dbraw/zinc/29/09/50/1335290950.db2.gz HZZPRTDVGQRSAZ-UHFFFAOYSA-N 0 0 344.758 2.868 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nnc2ccc(Cl)nn21 ZINC001357272173 1335295419 /nfs/dbraw/zinc/29/54/19/1335295419.db2.gz BAXHTGRVOGAMPP-UHFFFAOYSA-N 0 0 346.734 2.555 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)Oc2ncccc21 ZINC001357318351 1335299579 /nfs/dbraw/zinc/29/95/79/1335299579.db2.gz YYJSZHYNOCLEGF-SNVBAGLBSA-N 0 0 331.303 2.865 10 5 EFBERN COc1ccc(NC(=O)c2ccc(OC(F)F)nc2)cc1[N+](=O)[O-] ZINC001357454994 1335308393 /nfs/dbraw/zinc/30/83/93/1335308393.db2.gz NTQMNMSYRYMDCG-UHFFFAOYSA-N 0 0 339.254 2.852 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C(=O)NC3)c1C ZINC001357515791 1335311627 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/nfs/dbraw/zinc/94/82/78/1387948278.db2.gz IFGAWQOKHRQDLN-UHFFFAOYSA-N 0 0 344.323 2.935 10 5 EFBERN Cc1cccc(-c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)nc2)c1 ZINC001437859086 1388147425 /nfs/dbraw/zinc/14/74/25/1388147425.db2.gz PVTZEESPAJUJTF-UHFFFAOYSA-N 0 0 337.339 2.800 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Nc3ccccc3)cn2)n1 ZINC001437893675 1388186093 /nfs/dbraw/zinc/18/60/93/1388186093.db2.gz KYAWAIOLQPCMJL-UHFFFAOYSA-N 0 0 338.327 2.719 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1cccc(-c2ccccn2)c1 ZINC001438011326 1388319406 /nfs/dbraw/zinc/31/94/06/1388319406.db2.gz KDZYXDLDQIOGAG-UHFFFAOYSA-N 0 0 338.323 2.767 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001438006343 1388319919 /nfs/dbraw/zinc/31/99/19/1388319919.db2.gz LJJLRIZJRDLQLC-UHFFFAOYSA-N 0 0 339.273 2.959 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001438021192 1388324166 /nfs/dbraw/zinc/32/41/66/1388324166.db2.gz FCXWAODCTCLVOI-UHFFFAOYSA-N 0 0 332.213 2.588 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCc1ccco1 ZINC001438022004 1388324533 /nfs/dbraw/zinc/32/45/33/1388324533.db2.gz LYJBUPHPAIEEJP-UHFFFAOYSA-N 0 0 327.340 2.892 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2cc(OC)cc(OC)c2)n1 ZINC001438085005 1388349866 /nfs/dbraw/zinc/34/98/66/1388349866.db2.gz MXQNFHFKOXUCPV-SNVBAGLBSA-N 0 0 349.343 2.746 10 5 EFBERN CCC(=O)c1ccccc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC001438208173 1388414861 /nfs/dbraw/zinc/41/48/61/1388414861.db2.gz LYJRYYBOXUACMA-UHFFFAOYSA-N 0 0 330.344 2.721 10 5 EFBERN COc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC001438253640 1388452452 /nfs/dbraw/zinc/45/24/52/1388452452.db2.gz GRNWFCQHOYDBJQ-UHFFFAOYSA-N 0 0 339.254 2.852 10 5 EFBERN COc1ccc(CSCC(=O)N2CC(C(F)F)C2)cc1[N+](=O)[O-] ZINC001545750871 1377531318 /nfs/dbraw/zinc/53/13/18/1377531318.db2.gz REWDFYOBEDUCIG-UHFFFAOYSA-N 0 0 346.355 2.560 10 5 EFBERN C[C@H](O)c1ncc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC001545768623 1380481941 /nfs/dbraw/zinc/48/19/41/1380481941.db2.gz AOIFDVHBMMQKMZ-ZETCQYMHSA-N 0 0 341.776 2.688 10 5 EFBERN Cc1ccc(CNC(=O)c2c(Cl)nn(C)c2Cl)cc1[N+](=O)[O-] ZINC001438582417 1388681155 /nfs/dbraw/zinc/68/11/55/1388681155.db2.gz NJBXIOHJAJMZJV-UHFFFAOYSA-N 0 0 343.170 2.874 10 5 EFBERN Cc1ccc(CNC(=O)c2ncnc3sccc32)cc1[N+](=O)[O-] ZINC001438582649 1388681261 /nfs/dbraw/zinc/68/12/61/1388681261.db2.gz OJHFJPZRNAIPOP-UHFFFAOYSA-N 0 0 328.353 2.838 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC001438668478 1388727094 /nfs/dbraw/zinc/72/70/94/1388727094.db2.gz XPEIERFNBVHWSI-LLVKDONJSA-N 0 0 334.357 2.859 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccnc(OC2CCC2)c1 ZINC001438799028 1388822955 /nfs/dbraw/zinc/82/29/55/1388822955.db2.gz GXHWSMYIKAOFRV-UHFFFAOYSA-N 0 0 344.327 2.577 10 5 EFBERN CN(Cc1ccns1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001438853830 1388865859 /nfs/dbraw/zinc/86/58/59/1388865859.db2.gz BZZGCQQSMXEJMI-UHFFFAOYSA-N 0 0 343.368 2.509 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001438875245 1388883669 /nfs/dbraw/zinc/88/36/69/1388883669.db2.gz BJWDNAGEWMKGMA-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN CCC[C@@H](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001438941557 1388941893 /nfs/dbraw/zinc/94/18/93/1388941893.db2.gz UHPQDJNXSLPCRW-GFCCVEGCSA-N 0 0 331.376 2.732 10 5 EFBERN COc1cccc2[nH]c(NC(=O)c3c(F)cccc3[N+](=O)[O-])nc21 ZINC001438986536 1388959486 /nfs/dbraw/zinc/95/94/86/1388959486.db2.gz WYNIXOPQNHKBCT-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCC(F)(F)c1ccc(F)cc1F ZINC001439094825 1388991142 /nfs/dbraw/zinc/99/11/42/1388991142.db2.gz OWLZBSYKCXGCGM-UHFFFAOYSA-N 0 0 345.252 2.733 10 5 EFBERN CCNc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C3)cc1[N+](=O)[O-] ZINC001439189086 1389041788 /nfs/dbraw/zinc/04/17/88/1389041788.db2.gz DDVUHDJNMIRPKF-UHFFFAOYSA-N 0 0 340.339 2.774 10 5 EFBERN CNC(=O)c1ccccc1N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001439222985 1389056526 /nfs/dbraw/zinc/05/65/26/1389056526.db2.gz IPMKRKWITUGGPS-UHFFFAOYSA-N 0 0 347.758 2.884 10 5 EFBERN Cc1nn(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ncccc12 ZINC001439250400 1389073269 /nfs/dbraw/zinc/07/32/69/1389073269.db2.gz PBZNIDRSVIJQOH-NSHDSACASA-N 0 0 339.355 2.525 10 5 EFBERN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001439270171 1389086921 /nfs/dbraw/zinc/08/69/21/1389086921.db2.gz DOQKEGWQWLHQLF-LBPRGKRZSA-N 0 0 344.371 2.550 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 ZINC001439324444 1389140487 /nfs/dbraw/zinc/14/04/87/1389140487.db2.gz VCFOMYIDXGWURP-AWEZNQCLSA-N 0 0 342.355 2.527 10 5 EFBERN COc1ccc(C(=O)N=[S@]2(=O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC001439418198 1389274217 /nfs/dbraw/zinc/27/42/17/1389274217.db2.gz AVNLNFNXISINDK-DEOSSOPVSA-N 0 0 346.364 2.827 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)N=[S@@](C)(=O)C(C)C)cc1OC ZINC001439499999 1389299204 /nfs/dbraw/zinc/29/92/04/1389299204.db2.gz IQTHGIDIWSUMQO-QHCPKHFHSA-N 0 0 344.389 2.649 10 5 EFBERN Cc1ccc([S@@](C)(=O)=NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC001439749482 1389331215 /nfs/dbraw/zinc/33/12/15/1389331215.db2.gz YTZBCCARPWZTCS-XMMPIXPASA-N 0 0 348.380 2.966 10 5 EFBERN COc1ccccc1CN(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001440346488 1389552750 /nfs/dbraw/zinc/55/27/50/1389552750.db2.gz ZJEZQABKILJTFV-UHFFFAOYSA-N 0 0 332.331 2.944 10 5 EFBERN CN(Cc1ccc(Cl)cc1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001440520035 1389723000 /nfs/dbraw/zinc/72/30/00/1389723000.db2.gz VAJWIBQPNQNZTL-OAHLLOKOSA-N 0 0 334.759 2.940 10 5 EFBERN O=C(NCCc1ccccc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001440562512 1389752816 /nfs/dbraw/zinc/75/28/16/1389752816.db2.gz YWIOCSXRLYDWRQ-UHFFFAOYSA-N 0 0 336.351 2.957 10 5 EFBERN O=C(NCc1cccc(C(F)(F)F)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001440584755 1389759818 /nfs/dbraw/zinc/75/98/18/1389759818.db2.gz WRWCMUZQXYQQRJ-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN Nc1ncc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001440678376 1389813814 /nfs/dbraw/zinc/81/38/14/1389813814.db2.gz CETBDTIZFPSQGK-UHFFFAOYSA-N 0 0 326.234 2.843 10 5 EFBERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC001440765023 1389878781 /nfs/dbraw/zinc/87/87/81/1389878781.db2.gz UYGOKUUJFNHLNP-NSHDSACASA-N 0 0 343.314 2.590 10 5 EFBERN NC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001440899364 1389989475 /nfs/dbraw/zinc/98/94/75/1389989475.db2.gz MXZDRRNDCJUNPU-GJZGRUSLSA-N 0 0 340.339 2.828 10 5 EFBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc(Cl)n1C ZINC001441029250 1391044998 /nfs/dbraw/zinc/04/49/98/1391044998.db2.gz QHLHIVXXLVZQIE-UHFFFAOYSA-N 0 0 343.170 2.907 10 5 EFBERN O=C(NC[C@@H](O)c1ccsc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001445677458 1391535747 /nfs/dbraw/zinc/53/57/47/1391535747.db2.gz HSOZDAXTRLLJEK-LLVKDONJSA-N 0 0 344.751 2.912 10 5 EFBERN C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001446620832 1391562354 /nfs/dbraw/zinc/56/23/54/1391562354.db2.gz VSIGZCVFIHAQMD-VIFPVBQESA-N 0 0 333.369 2.630 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1(c2ccccn2)CC1 ZINC001446792923 1391603523 /nfs/dbraw/zinc/60/35/23/1391603523.db2.gz KTKFUZIHKNVJRZ-UHFFFAOYSA-N 0 0 329.331 2.899 10 5 EFBERN COc1ccc([C@H](CO)N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001446952313 1391645228 /nfs/dbraw/zinc/64/52/28/1391645228.db2.gz UUFLWSDEDNFNKA-INIZCTEOSA-N 0 0 348.330 2.548 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2ccncc2)CC1 ZINC001447688628 1391734536 /nfs/dbraw/zinc/73/45/36/1391734536.db2.gz BWPJMEHMESJSSA-UHFFFAOYSA-N 0 0 326.356 2.592 10 5 EFBERN C[C@@](O)(CCNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC001448109804 1391968659 /nfs/dbraw/zinc/96/86/59/1391968659.db2.gz JYAHARCVVADMAK-QGZVFWFLSA-N 0 0 332.331 2.762 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C=O)ccc1F ZINC001448230142 1392037611 /nfs/dbraw/zinc/03/76/11/1392037611.db2.gz ODVYDVIXFJGVQM-UHFFFAOYSA-N 0 0 330.315 2.861 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](CO)CC1CCCC1 ZINC001448245848 1392046793 /nfs/dbraw/zinc/04/67/93/1392046793.db2.gz KDPKQNIONZCKIS-ZDUSSCGKSA-N 0 0 340.807 2.848 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc(Cl)c(OC)c2)c1[N+](=O)[O-] ZINC001448621125 1392116098 /nfs/dbraw/zinc/11/60/98/1392116098.db2.gz KMNQXQTVMOLJJW-UHFFFAOYSA-N 0 0 336.735 2.946 10 5 EFBERN CO[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 ZINC001449904719 1392431592 /nfs/dbraw/zinc/43/15/92/1392431592.db2.gz MWYWQTOFQGUSLC-QGZVFWFLSA-N 0 0 347.346 2.608 10 5 EFBERN CO[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 ZINC001449904710 1392431775 /nfs/dbraw/zinc/43/17/75/1392431775.db2.gz MWYWQTOFQGUSLC-KRWDZBQOSA-N 0 0 347.346 2.608 10 5 EFBERN CC1=NO[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001449937064 1392447049 /nfs/dbraw/zinc/44/70/49/1392447049.db2.gz MAWFHVJMVRNLLG-ZDUSSCGKSA-N 0 0 340.339 2.551 10 5 EFBERN O=C(NCc1ccc2[nH]cnc2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001449989811 1392480504 /nfs/dbraw/zinc/48/05/04/1392480504.db2.gz YVBORGVQILJKTG-UHFFFAOYSA-N 0 0 347.334 2.949 10 5 EFBERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001449995427 1392485058 /nfs/dbraw/zinc/48/50/58/1392485058.db2.gz AXLLTYYXWYPQAM-PHDIDXHHSA-N 0 0 340.689 2.774 10 5 EFBERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001449995430 1392485218 /nfs/dbraw/zinc/48/52/18/1392485218.db2.gz AXLLTYYXWYPQAM-WDSKDSINSA-N 0 0 340.689 2.774 10 5 EFBERN Nc1ccc(NC(=O)Cc2cc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC001450774472 1392744750 /nfs/dbraw/zinc/74/47/50/1392744750.db2.gz SPVMDLGMRUYURZ-UHFFFAOYSA-N 0 0 338.323 2.612 10 5 EFBERN Cc1nc(CSCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC001450774169 1392745000 /nfs/dbraw/zinc/74/50/00/1392745000.db2.gz PEEHZNDJGMYMAC-UHFFFAOYSA-N 0 0 338.414 2.814 10 5 EFBERN O=C(Nc1ccc(C2(O)COC2)cc1)c1cccc([N+](=O)[O-])c1Cl ZINC001450799812 1392757975 /nfs/dbraw/zinc/75/79/75/1392757975.db2.gz KCPNOBDJNGHRDH-UHFFFAOYSA-N 0 0 348.742 2.718 10 5 EFBERN CN1Cc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)C1=O ZINC001451366312 1392822635 /nfs/dbraw/zinc/82/26/35/1392822635.db2.gz HBIKBCMVZZFDIX-UHFFFAOYSA-N 0 0 329.287 2.572 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001452182158 1392892832 /nfs/dbraw/zinc/89/28/32/1392892832.db2.gz JYKJTWMWNHPEMY-UHFFFAOYSA-N 0 0 348.290 2.865 10 5 EFBERN CNc1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)nc1 ZINC001454442221 1393027652 /nfs/dbraw/zinc/02/76/52/1393027652.db2.gz VOWXTZNLBNPGHA-UHFFFAOYSA-N 0 0 338.726 2.754 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C[C@H](C)c2ccco2)cc1[N+](=O)[O-] ZINC001454645752 1393082242 /nfs/dbraw/zinc/08/22/42/1393082242.db2.gz FVTFULZZMNWAJM-NSHDSACASA-N 0 0 346.339 2.689 10 5 EFBERN Cc1ccc(CNC(=O)c2conc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001454898049 1394369494 /nfs/dbraw/zinc/36/94/94/1394369494.db2.gz BPUOQDBOEJSZNX-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(=O)[nH]c(C3CC3)c2)cc1[N+](=O)[O-] ZINC001454902034 1394375382 /nfs/dbraw/zinc/37/53/82/1394375382.db2.gz UVWXDPIPNBJJFG-UHFFFAOYSA-N 0 0 327.340 2.811 10 5 EFBERN CNc1ccc(C(=O)NCc2noc3cc(F)ccc23)cc1[N+](=O)[O-] ZINC001455107499 1394556020 /nfs/dbraw/zinc/55/60/20/1394556020.db2.gz KZJYVFDICYMBIC-UHFFFAOYSA-N 0 0 344.302 2.847 10 5 EFBERN CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001455157386 1394569890 /nfs/dbraw/zinc/56/98/90/1394569890.db2.gz ULBDWVHYCNDQRZ-HNNXBMFYSA-N 0 0 349.431 2.864 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC2(CCC2)O1 ZINC001456127693 1394654370 /nfs/dbraw/zinc/65/43/70/1394654370.db2.gz JGHBJYHCRNTRBW-JTQLQIEISA-N 0 0 337.351 2.538 10 5 EFBERN Cc1ccc(NCCCNC(=O)c2cnc(F)cc2C)c([N+](=O)[O-])c1 ZINC001456625550 1394733040 /nfs/dbraw/zinc/73/30/40/1394733040.db2.gz OHRJQKQDFYXMFU-UHFFFAOYSA-N 0 0 346.362 2.978 10 5 EFBERN Cc1ccc(NC(=O)c2csc(NC3CC3)n2)c(N)c1[N+](=O)[O-] ZINC001456741783 1394785758 /nfs/dbraw/zinc/78/57/58/1394785758.db2.gz JBHWVKYYZCURQS-UHFFFAOYSA-N 0 0 333.373 2.769 10 5 EFBERN CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001456743738 1394787609 /nfs/dbraw/zinc/78/76/09/1394787609.db2.gz NSYZCKUNIBRKSH-UHFFFAOYSA-N 0 0 345.403 2.525 10 5 EFBERN COc1cc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)ccc1C ZINC001456744135 1394787796 /nfs/dbraw/zinc/78/77/96/1394787796.db2.gz PYFRGTKVHVHREI-UHFFFAOYSA-N 0 0 329.356 2.984 10 5 EFBERN Cc1ccc(NC(=O)c2cccc3c2OCCCO3)c(N)c1[N+](=O)[O-] ZINC001456749794 1394789746 /nfs/dbraw/zinc/78/97/46/1394789746.db2.gz PNCVIQQTKGGFRG-UHFFFAOYSA-N 0 0 343.339 2.899 10 5 EFBERN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001456870972 1394843986 /nfs/dbraw/zinc/84/39/86/1394843986.db2.gz UARVPMLHUYWENH-OLZOCXBDSA-N 0 0 345.403 2.789 10 5 EFBERN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001456958427 1394891415 /nfs/dbraw/zinc/89/14/15/1394891415.db2.gz JVZIRWGADYFSHF-HZPDHXFCSA-N 0 0 341.323 2.793 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCc2nc(C(C)(C)C)co2)c1[N+](=O)[O-] ZINC001456995905 1394914002 /nfs/dbraw/zinc/91/40/02/1394914002.db2.gz UWCYUBPYHCDBSD-UHFFFAOYSA-N 0 0 335.364 2.657 10 5 EFBERN Cc1cc(COCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC001457015360 1394923131 /nfs/dbraw/zinc/92/31/31/1394923131.db2.gz BLLHRVKFJGTZBQ-LBPRGKRZSA-N 0 0 333.344 2.594 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001457164217 1395011969 /nfs/dbraw/zinc/01/19/69/1395011969.db2.gz ORTFSDAQXLMAQN-UHFFFAOYSA-N 0 0 331.259 2.798 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(=O)N(C)c3ccccc32)c1C ZINC001457523976 1395180782 /nfs/dbraw/zinc/18/07/82/1395180782.db2.gz WHQIRVVVXILGCW-UHFFFAOYSA-N 0 0 339.351 2.835 10 5 EFBERN COc1cccc(OC)c1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001457545389 1395203938 /nfs/dbraw/zinc/20/39/38/1395203938.db2.gz ZZIAADQBCVWDMC-UHFFFAOYSA-N 0 0 347.323 2.978 10 5 EFBERN Cc1cc(Cl)c(C(=O)Nc2ccsc2C(N)=O)cc1[N+](=O)[O-] ZINC001457610640 1395246464 /nfs/dbraw/zinc/24/64/64/1395246464.db2.gz GWROWQZQRJYYAL-UHFFFAOYSA-N 0 0 339.760 2.969 10 5 EFBERN Cc1ccn2c(c1)nnc2NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001457638114 1395256980 /nfs/dbraw/zinc/25/69/80/1395256980.db2.gz YTELTTZAEABLGM-UHFFFAOYSA-N 0 0 339.355 2.862 10 5 EFBERN CCC[C@H]1CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001457710355 1395301115 /nfs/dbraw/zinc/30/11/15/1395301115.db2.gz CTIWZKATODRLKT-ZDUSSCGKSA-N 0 0 343.387 2.828 10 5 EFBERN Cc1sc(C(N)=O)cc1NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001457902564 1395382691 /nfs/dbraw/zinc/38/26/91/1395382691.db2.gz GCYJUXUCGLHMQM-UHFFFAOYSA-N 0 0 333.369 2.933 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1n[nH]c2c1CCCC2 ZINC001457895529 1395382726 /nfs/dbraw/zinc/38/27/26/1395382726.db2.gz XKLLGWQXTFIEGE-UHFFFAOYSA-N 0 0 337.339 2.997 10 5 EFBERN C/C(=C\C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1cnccn1 ZINC001457911011 1395384822 /nfs/dbraw/zinc/38/48/22/1395384822.db2.gz QGILUJZUKHXKAK-UXBLZVDNSA-N 0 0 332.747 2.758 10 5 EFBERN CCOC(=O)c1cc(C(C)C)nc(Oc2cccnc2[N+](=O)[O-])n1 ZINC001458053372 1395400402 /nfs/dbraw/zinc/40/04/02/1395400402.db2.gz FIZWJTXHDMBIBJ-UHFFFAOYSA-N 0 0 332.316 2.872 10 5 EFBERN Cc1cscc1NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001458114700 1395409726 /nfs/dbraw/zinc/40/97/26/1395409726.db2.gz IBJHDGKTYDDQEP-UHFFFAOYSA-N 0 0 343.368 2.857 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2ccncn2)C1 ZINC001458125431 1395410371 /nfs/dbraw/zinc/41/03/71/1395410371.db2.gz XMGAFSDZCMMTOK-LLVKDONJSA-N 0 0 329.316 2.677 10 5 EFBERN CNS(=O)(=O)c1ccc([C@@H](C)Nc2ccsc2[N+](=O)[O-])cc1 ZINC001458122772 1395410465 /nfs/dbraw/zinc/41/04/65/1395410465.db2.gz UNGUPZVDFKKCGE-SECBINFHSA-N 0 0 341.414 2.738 10 5 EFBERN CCOc1cc2c(cc1CNc1nn(C)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC001458156621 1395416401 /nfs/dbraw/zinc/41/64/01/1395416401.db2.gz KMVBYKGBROWSNV-JTQLQIEISA-N 0 0 332.360 2.663 10 5 EFBERN CC(C)(C)C[C@H](O)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001458189448 1395422399 /nfs/dbraw/zinc/42/23/99/1395422399.db2.gz UBDYYPNPPMAHCA-NSHDSACASA-N 0 0 348.359 2.682 10 5 EFBERN Cc1[nH][nH]c(=O)c1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001458190224 1395422567 /nfs/dbraw/zinc/42/25/67/1395422567.db2.gz HZTHTJIYRINCGV-MRVPVSSYSA-N 0 0 330.266 2.538 10 5 EFBERN Cc1[nH][nH]c(=O)c1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001458190225 1395422697 /nfs/dbraw/zinc/42/26/97/1395422697.db2.gz HZTHTJIYRINCGV-QMMMGPOBSA-N 0 0 330.266 2.538 10 5 EFBERN Cc1cccc(-c2nsc(NCCn3cc([N+](=O)[O-])cn3)n2)c1 ZINC001458241056 1395429197 /nfs/dbraw/zinc/42/91/97/1395429197.db2.gz DSLYMSIZGMURFM-UHFFFAOYSA-N 0 0 330.373 2.730 10 5 EFBERN CO[C@@H]1[C@H](C)[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1(C)C ZINC001458284927 1395437471 /nfs/dbraw/zinc/43/74/71/1395437471.db2.gz PMPZOHGXNMPCGK-GTNGPMTGSA-N 0 0 336.314 2.819 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)no2)c([N+](=O)[O-])c1 ZINC001458280435 1395437510 /nfs/dbraw/zinc/43/75/10/1395437510.db2.gz BYRMJWHUKGFKGU-UHFFFAOYSA-N 0 0 333.182 2.517 10 5 EFBERN Cc1nccnc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458295234 1395439934 /nfs/dbraw/zinc/43/99/34/1395439934.db2.gz KXDVLLVIFAOUPF-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnn(-c3ccncc3)c1)CC2 ZINC001458296587 1395440862 /nfs/dbraw/zinc/44/08/62/1395440862.db2.gz RXSFPHGIERKIGM-UHFFFAOYSA-N 0 0 349.350 2.687 10 5 EFBERN CCOC(=O)c1cnc(CC)nc1Oc1ccc([N+](=O)[O-])c(OC)c1 ZINC001458370972 1395455064 /nfs/dbraw/zinc/45/50/64/1395455064.db2.gz VLQRLXDRHLRRKQ-UHFFFAOYSA-N 0 0 347.327 2.925 10 5 EFBERN CC(=O)c1ccc(Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c([N+](=O)[O-])c1 ZINC001458369697 1395455219 /nfs/dbraw/zinc/45/52/19/1395455219.db2.gz KKBPHFISTUAWFL-QGZVFWFLSA-N 0 0 341.323 2.766 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@@H]1CCn2ccnc21 ZINC001458394806 1395459371 /nfs/dbraw/zinc/45/93/71/1395459371.db2.gz XQRZQFBYEPJFAQ-GFCCVEGCSA-N 0 0 329.747 2.972 10 5 EFBERN O=c1[nH]c2nc(Cl)nc(Oc3ccc([N+](=O)[O-])c(F)c3F)c2[nH]1 ZINC001458401750 1395459885 /nfs/dbraw/zinc/45/98/85/1395459885.db2.gz JMXWBHIIDDUPGK-UHFFFAOYSA-N 0 0 343.633 2.691 10 5 EFBERN CC(C)c1nnc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])[nH]1 ZINC001458398579 1395459948 /nfs/dbraw/zinc/45/99/48/1395459948.db2.gz ZEVYEQUCPMTBME-UHFFFAOYSA-N 0 0 330.323 2.558 10 5 EFBERN O=c1ccc(Br)cn1CCNc1ccc([N+](=O)[O-])cc1 ZINC001458404453 1395460992 /nfs/dbraw/zinc/46/09/92/1395460992.db2.gz YYYMNSHTTUBRCX-UHFFFAOYSA-N 0 0 338.161 2.631 10 5 EFBERN Cc1ccccc1NC(=O)COC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001458430861 1395466634 /nfs/dbraw/zinc/46/66/34/1395466634.db2.gz YPKZNMUZYHLWJC-UHFFFAOYSA-N 0 0 346.314 2.767 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](CO)c1ccc(F)cc1 ZINC001458433274 1395466687 /nfs/dbraw/zinc/46/66/87/1395466687.db2.gz TUBQSGGFLQFVDY-ZDUSSCGKSA-N 0 0 341.342 2.892 10 5 EFBERN Cc1cc(N[C@H](C)c2csnn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458440752 1395468690 /nfs/dbraw/zinc/46/86/90/1395468690.db2.gz ZYANPGHARSWUJZ-SNVBAGLBSA-N 0 0 342.384 2.807 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2cccnc2)c(Br)c1 ZINC001458448906 1395470966 /nfs/dbraw/zinc/47/09/66/1395470966.db2.gz NBRUIJACWUYQHC-CYBMUJFWSA-N 0 0 338.161 2.898 10 5 EFBERN Cc1cnc(NCCNc2ncnc3sccc32)c([N+](=O)[O-])c1 ZINC001458459521 1395473283 /nfs/dbraw/zinc/47/32/83/1395473283.db2.gz GJFADCAONBQZDJ-UHFFFAOYSA-N 0 0 330.373 2.827 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H](O)C23CCC3)cc1C ZINC001458487006 1395480581 /nfs/dbraw/zinc/48/05/81/1395480581.db2.gz JYTJNBBREJZOTJ-CABCVRRESA-N 0 0 334.372 2.795 10 5 EFBERN COC(=O)Cc1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC001458510344 1395485536 /nfs/dbraw/zinc/48/55/36/1395485536.db2.gz QBKZAHNEYUUEPC-UHFFFAOYSA-N 0 0 345.311 2.831 10 5 EFBERN COC(=O)Cc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001458513131 1395485783 /nfs/dbraw/zinc/48/57/83/1395485783.db2.gz XGMOAWBKNKCCSM-UHFFFAOYSA-N 0 0 340.339 2.799 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)CN1C(=O)OC(C)(C)C ZINC001458525146 1395488991 /nfs/dbraw/zinc/48/89/91/1395488991.db2.gz HNROVMXLTNLHAN-GHMZBOCLSA-N 0 0 339.396 2.528 10 5 EFBERN O=[N+]([O-])c1cnccc1N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC001458525814 1395489050 /nfs/dbraw/zinc/48/90/50/1395489050.db2.gz HZKPYRNSZSTGEO-COLVAYQJSA-N 0 0 346.184 2.924 10 5 EFBERN COc1ccc(CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC001458525180 1395489177 /nfs/dbraw/zinc/48/91/77/1395489177.db2.gz IDBOIRHQYJHERY-UHFFFAOYSA-N 0 0 328.372 2.927 10 5 EFBERN CN1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Br ZINC001458529547 1395489798 /nfs/dbraw/zinc/48/97/98/1395489798.db2.gz QCCDFUIWIYGWOW-PHIMTYICSA-N 0 0 326.194 2.640 10 5 EFBERN CCc1cc(N[C@H]2C[C@@H](COC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458557482 1395497925 /nfs/dbraw/zinc/49/79/25/1395497925.db2.gz RNGGZWKGGGUSKS-JNSHFYNHSA-N 0 0 342.399 2.873 10 5 EFBERN COc1ccc(OC)c([C@@H](O)[C@@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 ZINC001458577161 1395506741 /nfs/dbraw/zinc/50/67/41/1395506741.db2.gz CTPHEDSOGNARPC-HWPZZCPQSA-N 0 0 333.344 2.541 10 5 EFBERN CCS(=O)(=O)c1ccccc1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001458599045 1395517342 /nfs/dbraw/zinc/51/73/42/1395517342.db2.gz VABRLQNNRGCTTA-UHFFFAOYSA-N 0 0 349.412 2.746 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3[nH]c(C)nc3C)c2c1 ZINC001458614033 1395522166 /nfs/dbraw/zinc/52/21/66/1395522166.db2.gz ALRMPYRTUIXCRV-UHFFFAOYSA-N 0 0 327.344 2.526 10 5 EFBERN O=[N+]([O-])c1c(N[C@@H](CO)CCc2ccccc2)nc2ccccn21 ZINC001458618704 1395523881 /nfs/dbraw/zinc/52/38/81/1395523881.db2.gz LFGIVIJJWAUUDV-CQSZACIVSA-N 0 0 326.356 2.648 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ncc[nH]2)nc1-c1ccc(F)cc1 ZINC001458634584 1395530977 /nfs/dbraw/zinc/53/09/77/1395530977.db2.gz FEGFKKOMWOZBLU-LBPRGKRZSA-N 0 0 343.318 2.665 10 5 EFBERN COc1cccc(-c2cc(CNc3nn(C)cc3[N+](=O)[O-])on2)c1 ZINC001458637092 1395532972 /nfs/dbraw/zinc/53/29/72/1395532972.db2.gz HXDOEPIHOPTUGZ-UHFFFAOYSA-N 0 0 329.316 2.604 10 5 EFBERN Cc1nccnc1[C@@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458637224 1395533105 /nfs/dbraw/zinc/53/31/05/1395533105.db2.gz DXTKWDQHDDKPFU-LLVKDONJSA-N 0 0 339.355 2.718 10 5 EFBERN COC1(C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC001458667675 1395544148 /nfs/dbraw/zinc/54/41/48/1395544148.db2.gz KVESHQPMETXEJA-UHFFFAOYSA-N 0 0 335.282 2.545 10 5 EFBERN CCc1cc(NCC[C@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458683312 1395547988 /nfs/dbraw/zinc/54/79/88/1395547988.db2.gz QFYMIDSRIGPVDX-INIZCTEOSA-N 0 0 342.399 2.609 10 5 EFBERN COCCN(CCC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC001458689846 1395550430 /nfs/dbraw/zinc/55/04/30/1395550430.db2.gz UMTYTBOOTLWGAH-UHFFFAOYSA-N 0 0 342.367 2.919 10 5 EFBERN Cc1cc(NCCC2CSC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458718208 1395561335 /nfs/dbraw/zinc/56/13/35/1395561335.db2.gz NCDKJHXJSUFVKW-UHFFFAOYSA-N 0 0 330.413 2.947 10 5 EFBERN COC(=O)c1ccc(OC(=O)/C=C(\C)c2ccco2)cc1[N+](=O)[O-] ZINC001458737247 1395567492 /nfs/dbraw/zinc/56/74/92/1395567492.db2.gz RWZKPARXASJLEU-CSKARUKUSA-N 0 0 331.280 2.983 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1c(Cl)cccc1Cl ZINC001458774746 1395586619 /nfs/dbraw/zinc/58/66/19/1395586619.db2.gz FZXKWEPPALEZEJ-UHFFFAOYSA-N 0 0 327.123 2.946 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nnc3ccccn32)c1 ZINC001458814990 1395606415 /nfs/dbraw/zinc/60/64/15/1395606415.db2.gz OOBLAXRMITUURX-UHFFFAOYSA-N 0 0 344.352 2.716 10 5 EFBERN Cc1nc2ccnn2cc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001458816851 1395607109 /nfs/dbraw/zinc/60/71/09/1395607109.db2.gz XEAJDWBLVNSQBE-UHFFFAOYSA-N 0 0 348.322 2.746 10 5 EFBERN Cc1cc(NC(=O)[C@H]2Cc3cccnc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001458822341 1395610251 /nfs/dbraw/zinc/61/02/51/1395610251.db2.gz GOCGTBVCVKMGSL-ZDUSSCGKSA-N 0 0 348.362 2.622 10 5 EFBERN CCOc1nc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)co1 ZINC001458822510 1395610717 /nfs/dbraw/zinc/61/07/17/1395610717.db2.gz HYNWRSKHIJCBFI-UHFFFAOYSA-N 0 0 342.311 2.512 10 5 EFBERN Cc1cccc(C)c1-n1nnnc1SCc1cccnc1[N+](=O)[O-] ZINC001458858600 1395625684 /nfs/dbraw/zinc/62/56/84/1395625684.db2.gz LNTTXVTYXUPFTK-UHFFFAOYSA-N 0 0 342.384 2.875 10 5 EFBERN NS(=O)(=O)c1ccc(OCC2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC001458892521 1395633823 /nfs/dbraw/zinc/63/38/23/1395633823.db2.gz JLGDUCMYFLDVPW-UHFFFAOYSA-N 0 0 340.401 2.591 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1cnc(Cl)c(F)c1 ZINC001458895147 1395634056 /nfs/dbraw/zinc/63/40/56/1395634056.db2.gz FHLDFHSWNXWYAG-UHFFFAOYSA-N 0 0 334.694 2.541 10 5 EFBERN Cc1csc(=O)n1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001458949317 1395654370 /nfs/dbraw/zinc/65/43/70/1395654370.db2.gz SLQNEWQRWMJYOX-UHFFFAOYSA-N 0 0 329.175 2.937 10 5 EFBERN COc1ccc(OC(=O)c2ccc(C3OCCO3)cc2)cc1[N+](=O)[O-] ZINC001458975973 1395662892 /nfs/dbraw/zinc/66/28/92/1395662892.db2.gz XEIJVKKHSULRSS-UHFFFAOYSA-N 0 0 345.307 2.868 10 5 EFBERN COC(=O)c1cccnc1COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001458991481 1395668477 /nfs/dbraw/zinc/66/84/77/1395668477.db2.gz BPLMBNVGNGPPQS-UHFFFAOYSA-N 0 0 330.296 2.558 10 5 EFBERN Cc1cnccc1Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC001458996695 1395670385 /nfs/dbraw/zinc/67/03/85/1395670385.db2.gz ODUAEKYIZWINKT-UHFFFAOYSA-N 0 0 338.161 2.579 10 5 EFBERN COC(=O)c1ncccc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001458995126 1395670390 /nfs/dbraw/zinc/67/03/90/1395670390.db2.gz YNWUSDBGVIUSRX-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN Cc1nn(CC(=O)Nc2ccc(Cl)nc2)c2ccc([N+](=O)[O-])cc12 ZINC001458998671 1395671313 /nfs/dbraw/zinc/67/13/13/1395671313.db2.gz XQVDMRGOTOJSKE-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(F)c(F)c1 ZINC001459039252 1395685850 /nfs/dbraw/zinc/68/58/50/1395685850.db2.gz IYXMXNKGQVHNJE-UHFFFAOYSA-N 0 0 333.250 2.738 10 5 EFBERN CS(=O)(=O)c1cccc(COc2ccc([N+](=O)[O-])c(F)c2F)c1 ZINC001459099216 1395711312 /nfs/dbraw/zinc/71/13/12/1395711312.db2.gz WBRGASOIQAARMB-UHFFFAOYSA-N 0 0 343.307 2.856 10 5 EFBERN CC(=O)c1ccc(NC(=O)COc2c(C)c(C)ncc2[N+](=O)[O-])cc1 ZINC001459130137 1395725931 /nfs/dbraw/zinc/72/59/31/1395725931.db2.gz TUYQEBOKSJPJCN-UHFFFAOYSA-N 0 0 343.339 2.827 10 5 EFBERN Cc1nc(Cl)n(Cc2c(Br)cccc2[N+](=O)[O-])n1 ZINC001459285953 1395782744 /nfs/dbraw/zinc/78/27/44/1395782744.db2.gz XBGBEUQJUGOVMS-UHFFFAOYSA-N 0 0 331.557 2.959 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1Cc2ccccc21 ZINC001459177296 1395747546 /nfs/dbraw/zinc/74/75/46/1395747546.db2.gz PVBSAZVOQCUYND-AWEZNQCLSA-N 0 0 334.335 2.762 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)[C@@H](C)c1ccccc1 ZINC001546109719 1395919246 /nfs/dbraw/zinc/91/92/46/1395919246.db2.gz JBDDNJNCXZQTIF-BLLLJJGKSA-N 0 0 346.358 2.937 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn2nccc12 ZINC001459589062 1395953230 /nfs/dbraw/zinc/95/32/30/1395953230.db2.gz UVNHHXLOSJEWOW-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN O=C(COc1ccc(F)c(F)c1)NCCc1ccccc1[N+](=O)[O-] ZINC001459730485 1395978619 /nfs/dbraw/zinc/97/86/19/1395978619.db2.gz PKTVBIDGNHHGOL-UHFFFAOYSA-N 0 0 336.294 2.611 10 5 EFBERN CCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H](COC)C(=O)OCC ZINC001459949691 1395994466 /nfs/dbraw/zinc/99/44/66/1395994466.db2.gz BMLVYMOHURTVQA-HNNXBMFYSA-N 0 0 342.367 2.524 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c2nc[nH]c2ccc1F ZINC001546113415 1395998890 /nfs/dbraw/zinc/99/88/90/1395998890.db2.gz XXAZFHTWBNKNDD-UHFFFAOYSA-N 0 0 344.302 2.549 10 5 EFBERN Cn1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)no2)n1 ZINC001460022386 1395999255 /nfs/dbraw/zinc/99/92/55/1395999255.db2.gz WELPCWNZQVCBMX-UHFFFAOYSA-N 0 0 347.718 2.889 10 5 EFBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nn(C)cc2Cl)c1 ZINC001460190052 1396010975 /nfs/dbraw/zinc/01/09/75/1396010975.db2.gz SWUFTJUIZUYXTK-UHFFFAOYSA-N 0 0 340.792 2.634 10 5 EFBERN Cc1cccnc1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001460255263 1396016326 /nfs/dbraw/zinc/01/63/26/1396016326.db2.gz ZXAKSLSXOYBNNQ-UHFFFAOYSA-N 0 0 338.367 2.612 10 5 EFBERN COc1cc(OC)cc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)c1 ZINC001460262620 1396016724 /nfs/dbraw/zinc/01/67/24/1396016724.db2.gz FBMPPFQRHIVFPE-UHFFFAOYSA-N 0 0 346.314 2.954 10 5 EFBERN COC(=O)c1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)on1 ZINC001460276660 1396018807 /nfs/dbraw/zinc/01/88/07/1396018807.db2.gz RYHPPVSZOXVNRY-UHFFFAOYSA-N 0 0 333.300 2.547 10 5 EFBERN O=C(N[C@H]1CCn2ccnc21)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001460284814 1396020003 /nfs/dbraw/zinc/02/00/03/1396020003.db2.gz GVKNHFGTKYZXKX-AWEZNQCLSA-N 0 0 349.350 2.728 10 5 EFBERN Cc1nc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1-c1cnn(C)c1 ZINC001460304579 1396022963 /nfs/dbraw/zinc/02/29/63/1396022963.db2.gz GQXSAGKYRFWVQB-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN O=[N+]([O-])c1cc(CN2c3cc(F)ccc3OC[C@@H]2CCO)cs1 ZINC001460336150 1396026845 /nfs/dbraw/zinc/02/68/45/1396026845.db2.gz SSQINXHOEJCWQC-LBPRGKRZSA-N 0 0 338.360 2.945 10 5 EFBERN CC(=O)c1ccc(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001546116953 1396197817 /nfs/dbraw/zinc/19/78/17/1396197817.db2.gz PKTOABANSDFLBO-UHFFFAOYSA-N 0 0 330.315 2.909 10 5 EFBERN C[C@]1(CO)CN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC001460574500 1396222866 /nfs/dbraw/zinc/22/28/66/1396222866.db2.gz DYGWLRPSYWLETQ-GOSISDBHSA-N 0 0 328.368 2.787 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCC(c4ncco4)CC3)nc2c1 ZINC001460599996 1396237698 /nfs/dbraw/zinc/23/76/98/1396237698.db2.gz ALIXDFTVLBQBEA-UHFFFAOYSA-N 0 0 327.344 2.839 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001460693311 1396244434 /nfs/dbraw/zinc/24/44/34/1396244434.db2.gz QZMIMBSKWNQXOV-GOSISDBHSA-N 0 0 345.399 2.792 10 5 EFBERN C[C@H]1CC[C@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)O1 ZINC001460727602 1396246643 /nfs/dbraw/zinc/24/66/43/1396246643.db2.gz MSCRGWSWVXSRIN-CMPLNLGQSA-N 0 0 329.356 2.628 10 5 EFBERN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nccs2)cc1 ZINC001460759786 1396251565 /nfs/dbraw/zinc/25/15/65/1396251565.db2.gz DLBDONKZILENPP-UHFFFAOYSA-N 0 0 343.368 2.578 10 5 EFBERN COc1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc(Cl)n1 ZINC001460763017 1396253044 /nfs/dbraw/zinc/25/30/44/1396253044.db2.gz ZMVWHQHMTBYNFP-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN O=C(Nc1ccnnc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001460784510 1396256621 /nfs/dbraw/zinc/25/66/21/1396256621.db2.gz AFOOAVXXKDOCBM-UHFFFAOYSA-N 0 0 342.233 2.578 10 5 EFBERN COc1ccc2c(n1)N(C)CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC001460805198 1396258086 /nfs/dbraw/zinc/25/80/86/1396258086.db2.gz BCNFFDFQRTYCLU-UHFFFAOYSA-N 0 0 332.335 2.594 10 5 EFBERN C[C@@H]1C(=O)CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001460879875 1396267451 /nfs/dbraw/zinc/26/74/51/1396267451.db2.gz COLJLINYCQXIIZ-SECBINFHSA-N 0 0 327.178 2.911 10 5 EFBERN CCOc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2SC)n1 ZINC001461120293 1396290871 /nfs/dbraw/zinc/29/08/71/1396290871.db2.gz DQHXSVQREDQSBE-UHFFFAOYSA-N 0 0 334.357 2.758 10 5 EFBERN Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(N)=O)c1 ZINC001461134493 1396292661 /nfs/dbraw/zinc/29/26/61/1396292661.db2.gz OFGGOEWTCCQYIY-SNVBAGLBSA-N 0 0 345.330 2.883 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccnc2F)cc1OC ZINC001461162734 1396295498 /nfs/dbraw/zinc/29/54/98/1396295498.db2.gz AICYXSZJAGNREU-UHFFFAOYSA-N 0 0 335.291 2.789 10 5 EFBERN Cc1c(C(=O)N[C@@H]2CCc3ccccc3NC2=O)cccc1[N+](=O)[O-] ZINC001461237159 1396363794 /nfs/dbraw/zinc/36/37/94/1396363794.db2.gz AOKNLDTVKPWYMS-OAHLLOKOSA-N 0 0 339.351 2.587 10 5 EFBERN COC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001461385747 1396375039 /nfs/dbraw/zinc/37/50/39/1396375039.db2.gz AKHZKNPZDHWMQN-OAHLLOKOSA-N 0 0 330.340 2.721 10 5 EFBERN CCOc1ccc(C(=O)Nc2cnc3ccccn23)cc1[N+](=O)[O-] ZINC001461388447 1396375377 /nfs/dbraw/zinc/37/53/77/1396375377.db2.gz NONYRIDYJUCJFI-UHFFFAOYSA-N 0 0 326.312 2.894 10 5 EFBERN CNC(=O)Oc1cccc(OC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC001461438701 1396379838 /nfs/dbraw/zinc/37/98/38/1396379838.db2.gz NSQZBNNJGXSAPA-UHFFFAOYSA-N 0 0 346.295 2.541 10 5 EFBERN Cc1cc(C)n(CCC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)n1 ZINC001461452477 1396381167 /nfs/dbraw/zinc/38/11/67/1396381167.db2.gz VWBNVVITZZZGST-UHFFFAOYSA-N 0 0 339.355 2.985 10 5 EFBERN Cc1c(CCC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cnn1C ZINC001461450487 1396381207 /nfs/dbraw/zinc/38/12/07/1396381207.db2.gz JJCUCIHCDNPFSX-UHFFFAOYSA-N 0 0 339.355 2.756 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC001461500973 1396384216 /nfs/dbraw/zinc/38/42/16/1396384216.db2.gz OIEPGQDAKHCBFV-UHFFFAOYSA-N 0 0 332.272 2.644 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001461500899 1396384417 /nfs/dbraw/zinc/38/44/17/1396384417.db2.gz NLESJLDVYWONHA-OWCLPIDISA-N 0 0 340.291 2.994 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001461500881 1396384536 /nfs/dbraw/zinc/38/45/36/1396384536.db2.gz NLESJLDVYWONHA-ARFHVFGLSA-N 0 0 340.291 2.994 10 5 EFBERN Cc1cncc(/C=C\C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001461507368 1396385037 /nfs/dbraw/zinc/38/50/37/1396385037.db2.gz GFOXXBAKANPLKE-IHWYPQMZSA-N 0 0 329.268 2.825 10 5 EFBERN C[C@@H](CC(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC001461504308 1396385054 /nfs/dbraw/zinc/38/50/54/1396385054.db2.gz ZTMVGGNNCVSAML-JTQLQIEISA-N 0 0 331.284 2.997 10 5 EFBERN Cc1ccc(COCC(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001461504217 1396385570 /nfs/dbraw/zinc/38/55/70/1396385570.db2.gz YNHQWRKOMIYKMD-UHFFFAOYSA-N 0 0 346.295 2.934 10 5 EFBERN Cc1cccn2c(NC(=O)CCOc3ccccc3[N+](=O)[O-])cnc12 ZINC001461568319 1396390888 /nfs/dbraw/zinc/39/08/88/1396390888.db2.gz DAHFBEBAXXKESM-UHFFFAOYSA-N 0 0 340.339 2.959 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCC(C)C)nn1 ZINC001461572292 1396391523 /nfs/dbraw/zinc/39/15/23/1396391523.db2.gz WDIOOXKFWYAPMZ-UHFFFAOYSA-N 0 0 345.359 2.765 10 5 EFBERN Cc1c(C(=O)Nc2ccnc(F)c2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001461690831 1396399768 /nfs/dbraw/zinc/39/97/68/1396399768.db2.gz DAWJFDHPRIYNRC-UHFFFAOYSA-N 0 0 338.226 2.737 10 5 EFBERN O=C(c1cnn2cccnc12)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001461705038 1396400687 /nfs/dbraw/zinc/40/06/87/1396400687.db2.gz SDAJERDDFNRDEX-UHFFFAOYSA-N 0 0 337.339 2.621 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](N(C)c3ccccc3)C2)n1 ZINC001461851628 1396408577 /nfs/dbraw/zinc/40/85/77/1396408577.db2.gz JBCMBNXRFVVYGU-OAHLLOKOSA-N 0 0 340.383 2.649 10 5 EFBERN COc1cc(OC)cc([C@@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC001461881665 1396409651 /nfs/dbraw/zinc/40/96/51/1396409651.db2.gz FHNBSKJKBAOSMF-LLVKDONJSA-N 0 0 349.343 2.503 10 5 EFBERN Cc1c(C(=O)NCC[C@H]2CCCS2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001461893893 1396411106 /nfs/dbraw/zinc/41/11/06/1396411106.db2.gz AEEWWWMGZIJRCW-LLVKDONJSA-N 0 0 339.373 2.827 10 5 EFBERN Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001462250366 1396429682 /nfs/dbraw/zinc/42/96/82/1396429682.db2.gz CSSFYRYAFQBRNH-UHFFFAOYSA-N 0 0 329.312 2.670 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001462464817 1396436628 /nfs/dbraw/zinc/43/66/28/1396436628.db2.gz LYWVDMWOYUDFIO-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN Cc1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cnc1C ZINC001462469598 1396436914 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/nfs/dbraw/zinc/13/83/05/1397138305.db2.gz CUTXEMCFHHGCCF-LLVKDONJSA-N 0 0 344.371 2.865 10 5 EFBERN Cc1ccc(CNC(=O)C[C@H]2C(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC001471242132 1397153448 /nfs/dbraw/zinc/15/34/48/1397153448.db2.gz DOKVEVGLRGLFGN-CQSZACIVSA-N 0 0 339.351 2.645 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc2c([nH]c1=O)CCCC2 ZINC001471302867 1397157941 /nfs/dbraw/zinc/15/79/41/1397157941.db2.gz WSHHVAMAXMQPCR-UHFFFAOYSA-N 0 0 341.367 2.813 10 5 EFBERN C[C@@H](NC(=O)NC[C@@](C)(O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC001471322778 1397159971 /nfs/dbraw/zinc/15/99/71/1397159971.db2.gz WZCOMPASHNPYRR-BDJLRTHQSA-N 0 0 349.412 2.924 10 5 EFBERN Cc1cccc(NCCNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001471322229 1397160415 /nfs/dbraw/zinc/16/04/15/1397160415.db2.gz QSTGZVLEBPYPGR-CYBMUJFWSA-N 0 0 343.387 2.771 10 5 EFBERN COC(=O)c1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc2ccccc21 ZINC001471422305 1397170418 /nfs/dbraw/zinc/17/04/18/1397170418.db2.gz KUMAVDXPZKMJPK-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cc2cnccc2o1 ZINC001471436276 1397171812 /nfs/dbraw/zinc/17/18/12/1397171812.db2.gz GYOHQPXOMRWJGS-ZCFIWIBFSA-N 0 0 335.707 2.604 10 5 EFBERN C[C@H](C(=O)N1Cc2cncnc2[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001471470030 1397174871 /nfs/dbraw/zinc/17/48/71/1397174871.db2.gz FPZQEKZAXCYMSC-MNOVXSKESA-N 0 0 344.346 2.773 10 5 EFBERN Cc1c[nH]c(C2(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC001471476630 1397176115 /nfs/dbraw/zinc/17/61/15/1397176115.db2.gz AVKPICHPZRQVGT-GJZGRUSLSA-N 0 0 340.383 2.925 10 5 EFBERN O=C(NC[C@H]1CCN(CC(F)F)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC001471486880 1397176261 /nfs/dbraw/zinc/17/62/61/1397176261.db2.gz RPLHOZALLLNECD-SECBINFHSA-N 0 0 347.749 2.565 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC001471610987 1397188170 /nfs/dbraw/zinc/18/81/70/1397188170.db2.gz JFZSOSYUFLGPCA-SNVBAGLBSA-N 0 0 345.359 2.721 10 5 EFBERN CC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001471743585 1397203085 /nfs/dbraw/zinc/20/30/85/1397203085.db2.gz UXMMXFJVQJOFEU-LRDDRELGSA-N 0 0 346.387 2.683 10 5 EFBERN CC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001471743987 1397203093 /nfs/dbraw/zinc/20/30/93/1397203093.db2.gz XQBFXMXSINMEAN-WBVHZDCISA-N 0 0 344.367 2.845 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001471772052 1397204158 /nfs/dbraw/zinc/20/41/58/1397204158.db2.gz QFPOAKTZZKNTKV-UHFFFAOYSA-N 0 0 336.307 2.823 10 5 EFBERN C[C@H]1Cc2n[nH]cc2CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001471819042 1397211235 /nfs/dbraw/zinc/21/12/35/1397211235.db2.gz SHHRJEBTOIFQAR-KNXALSJPSA-N 0 0 340.383 2.642 10 5 EFBERN C[C@@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC001471819388 1397211691 /nfs/dbraw/zinc/21/16/91/1397211691.db2.gz UWHOVBDJBJNEKH-LLVKDONJSA-N 0 0 330.388 2.956 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)c1[N+](=O)[O-] ZINC001471831214 1397212553 /nfs/dbraw/zinc/21/25/53/1397212553.db2.gz VOWIPSHBJPXLMJ-GXFFZTMASA-N 0 0 348.334 2.643 10 5 EFBERN Cc1conc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001471848241 1397215512 /nfs/dbraw/zinc/21/55/12/1397215512.db2.gz ASYCCKBPLWGRCS-UHFFFAOYSA-N 0 0 344.352 2.945 10 5 EFBERN CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC001471891846 1397220045 /nfs/dbraw/zinc/22/00/45/1397220045.db2.gz OQAMZJVCBUSDFF-UHFFFAOYSA-N 0 0 345.330 2.517 10 5 EFBERN Cc1ccc2nc(NC(=O)c3c(N)cccc3[N+](=O)[O-])sc2n1 ZINC001471957335 1397225929 /nfs/dbraw/zinc/22/59/29/1397225929.db2.gz XREZTDQXOPDFKB-UHFFFAOYSA-N 0 0 329.341 2.742 10 5 EFBERN C[S@@](=O)(=NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001471988027 1397231323 /nfs/dbraw/zinc/23/13/23/1397231323.db2.gz FXHHNDHJKUYQCW-FATZIPQQSA-N 0 0 340.401 2.585 10 5 EFBERN Cn1cc(Cl)c(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)n1 ZINC001471985269 1397231362 /nfs/dbraw/zinc/23/13/62/1397231362.db2.gz TZZIOSXYTOWKTO-UHFFFAOYSA-N 0 0 348.121 2.609 10 5 EFBERN Cc1nc(Cl)nn1Cc1cccc([N+](=O)[O-])c1Br ZINC001473079107 1397280971 /nfs/dbraw/zinc/28/09/71/1397280971.db2.gz OKSYJDGBHGKBCV-UHFFFAOYSA-N 0 0 331.557 2.959 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1cc(F)cc(F)c1 ZINC001472046339 1397238733 /nfs/dbraw/zinc/23/87/33/1397238733.db2.gz AVDSRMGYSMDORF-ZZXKWVIFSA-N 0 0 346.289 2.885 10 5 EFBERN Cc1c(CC(=O)NCC(=O)c2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC001472047327 1397238838 /nfs/dbraw/zinc/23/88/38/1397238838.db2.gz IKGHGYJYBUKSAY-UHFFFAOYSA-N 0 0 348.305 2.723 10 5 EFBERN O=C(NCc1nc2c([nH]1)CCCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001472065290 1397242458 /nfs/dbraw/zinc/24/24/58/1397242458.db2.gz ULYQLVZLIRYDHD-UHFFFAOYSA-N 0 0 339.355 2.608 10 5 EFBERN Nc1nc2c(s1)CN(c1nccc3c1cccc3[N+](=O)[O-])CC2 ZINC001472656266 1397266549 /nfs/dbraw/zinc/26/65/49/1397266549.db2.gz LUTKTNKPDPULNO-UHFFFAOYSA-N 0 0 327.369 2.744 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@@H]1CCCC12CCOCC2 ZINC001472971961 1397275878 /nfs/dbraw/zinc/27/58/78/1397275878.db2.gz YSHBLMHXGTWMOV-ZDUSSCGKSA-N 0 0 343.383 2.902 10 5 EFBERN CS(=O)(=O)c1ccc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)o1 ZINC001472987147 1397276528 /nfs/dbraw/zinc/27/65/28/1397276528.db2.gz LMSKCVCKGLBKKX-UHFFFAOYSA-N 0 0 347.352 2.503 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1Cc1scnc1Cl ZINC001473020830 1397278055 /nfs/dbraw/zinc/27/80/55/1397278055.db2.gz WJTBPJFVAJQUJG-UHFFFAOYSA-N 0 0 338.732 2.570 10 5 EFBERN COC(=O)c1cc(COc2cc(F)c([N+](=O)[O-])cc2Cl)on1 ZINC001473028812 1397278555 /nfs/dbraw/zinc/27/85/55/1397278555.db2.gz UITDUPZSLCYHTA-UHFFFAOYSA-N 0 0 330.655 2.741 10 5 EFBERN Cc1ccc(C)c(NC(=O)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC001473027199 1397278703 /nfs/dbraw/zinc/27/87/03/1397278703.db2.gz RDTPFIFVIFNADJ-UHFFFAOYSA-N 0 0 341.323 2.758 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnn(CCOc2cccc(Cl)c2)n1 ZINC001473095646 1397282070 /nfs/dbraw/zinc/28/20/70/1397282070.db2.gz LDNMGOQQTOZACI-UHFFFAOYSA-N 0 0 345.746 2.981 10 5 EFBERN O=[N+]([O-])c1cccc(CN(CC[S@@](=O)C(F)(F)F)C2CC2)c1 ZINC001473233613 1397291398 /nfs/dbraw/zinc/29/13/98/1397291398.db2.gz RXAXJMRGZAJPRY-JOCHJYFZSA-N 0 0 336.335 2.828 10 5 EFBERN COc1ccc2c(c1)C[C@H](CN1CCc3ccc([N+](=O)[O-])cc31)O2 ZINC001473360311 1397297243 /nfs/dbraw/zinc/29/72/43/1397297243.db2.gz IXWKPSAPMGITBH-MRXNPFEDSA-N 0 0 326.352 2.970 10 5 EFBERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccc([N+](=O)[O-])cc1 ZINC001473697331 1397322258 /nfs/dbraw/zinc/32/22/58/1397322258.db2.gz AWZOSQCHNILOAD-HOTGVXAUSA-N 0 0 347.415 2.831 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001473709770 1397324107 /nfs/dbraw/zinc/32/41/07/1397324107.db2.gz CZVADXQRHLOXSM-IAGOWNOFSA-N 0 0 348.786 2.872 10 5 EFBERN O=C1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCN1c1ccccc1 ZINC001473728899 1397326019 /nfs/dbraw/zinc/32/60/19/1397326019.db2.gz JLTCQXZDDHTTSH-UHFFFAOYSA-N 0 0 329.331 2.583 10 5 EFBERN CN(C)c1nc2c(s1)CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC001473764544 1397329861 /nfs/dbraw/zinc/32/98/61/1397329861.db2.gz ZJMGBMRJTJKZTM-UHFFFAOYSA-N 0 0 336.392 2.815 10 5 EFBERN CC(F)(F)CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001473829667 1397337243 /nfs/dbraw/zinc/33/72/43/1397337243.db2.gz ZCNZSKHCXOMEEC-UHFFFAOYSA-N 0 0 340.330 2.509 10 5 EFBERN COc1cc(C)sc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001478263860 1397571010 /nfs/dbraw/zinc/57/10/10/1397571010.db2.gz AGHFBYLBMGZBOQ-UHFFFAOYSA-N 0 0 349.412 2.840 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2ncoc2C2CC2)ccc1[N+](=O)[O-] ZINC001478265525 1397571629 /nfs/dbraw/zinc/57/16/29/1397571629.db2.gz PUXQRIQHRQIRJB-UHFFFAOYSA-N 0 0 344.371 2.635 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1noc2ccccc12 ZINC001478360530 1397577062 /nfs/dbraw/zinc/57/70/62/1397577062.db2.gz UNAXQUIUZXNSLG-UHFFFAOYSA-N 0 0 340.339 2.778 10 5 EFBERN CCC[C@@H]1CCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001478536264 1397583236 /nfs/dbraw/zinc/58/32/36/1397583236.db2.gz VBMKOXLECFWRCX-LLVKDONJSA-N 0 0 331.376 2.945 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@]2(O)CCCC2(C)C)cc1[N+](=O)[O-] ZINC001479122426 1397610082 /nfs/dbraw/zinc/61/00/82/1397610082.db2.gz QOHQNYQRGCBJGJ-KRWDZBQOSA-N 0 0 335.404 2.644 10 5 EFBERN C[C@@H](NC(=O)NCc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC001479212736 1397619910 /nfs/dbraw/zinc/61/99/10/1397619910.db2.gz AXKFDEYHVAAENP-GFCCVEGCSA-N 0 0 329.356 2.648 10 5 EFBERN COC(=O)c1coc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001479212210 1397620060 /nfs/dbraw/zinc/62/00/60/1397620060.db2.gz DGGVXOUSYONTAS-JTQLQIEISA-N 0 0 347.327 2.535 10 5 EFBERN O=C(NC[C@]12C[C@H]1CCCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001479325210 1397686043 /nfs/dbraw/zinc/68/60/43/1397686043.db2.gz HVYWXDMYUQJKQF-ACJLOTCBSA-N 0 0 345.399 2.948 10 5 EFBERN CN(CCN(C)C(=O)C1(C)CC=CC1)Cc1csc([N+](=O)[O-])c1 ZINC001496778671 1400976963 /nfs/dbraw/zinc/97/69/63/1400976963.db2.gz YKVDMPPQCVWVHD-UHFFFAOYSA-N 0 0 337.445 2.903 10 5 EFBERN COCCCCn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001504793303 1404522534 /nfs/dbraw/zinc/52/25/34/1404522534.db2.gz NICKDNIBQZEWHZ-UHFFFAOYSA-N 0 0 347.419 2.600 10 5 EFBERN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)O)C1CC1 ZINC001728295920 1426314586 /nfs/dbraw/zinc/31/45/86/1426314586.db2.gz WKLLKBUQTWGOOL-UHFFFAOYSA-N 0 0 345.403 2.613 10 5 EFBERN Cc1cncc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001546320778 1412635659 /nfs/dbraw/zinc/63/56/59/1412635659.db2.gz IIPAZXYAYXCDBN-UHFFFAOYSA-N 0 0 327.340 2.578 10 5 EFBERN CO[C@@H](C)Cn1c(C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001554592012 1415019762 /nfs/dbraw/zinc/01/97/62/1415019762.db2.gz HUYUAFLGYQXVNY-LBPRGKRZSA-N 0 0 345.403 2.699 10 5 EFBERN COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CCC1 ZINC001555562491 1415040500 /nfs/dbraw/zinc/04/05/00/1415040500.db2.gz KKTGMUGHEVHBNU-UHFFFAOYSA-N 0 0 345.403 2.736 10 5 EFBERN Cc1ccc(F)c(N)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001556084575 1415052753 /nfs/dbraw/zinc/05/27/53/1415052753.db2.gz UCQMEKKFVWSTNI-UHFFFAOYSA-N 0 0 329.291 2.753 10 5 EFBERN CNc1nccc(C(=O)NCc2cccc(C(F)F)c2)c1[N+](=O)[O-] ZINC001556206501 1415058793 /nfs/dbraw/zinc/05/87/93/1415058793.db2.gz SYBGWUUGCDACAX-UHFFFAOYSA-N 0 0 336.298 2.899 10 5 EFBERN CN1Cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3F)ccc2NC1=O ZINC001556262930 1415060425 /nfs/dbraw/zinc/06/04/25/1415060425.db2.gz BDAZHYXTIVBBDC-UHFFFAOYSA-N 0 0 344.302 2.964 10 5 EFBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1Cc2cccnc2C1 ZINC001556321535 1415064314 /nfs/dbraw/zinc/06/43/14/1415064314.db2.gz FSHZNSLHCVHHQM-UHFFFAOYSA-N 0 0 348.156 2.908 10 5 EFBERN Nc1nccc(C(=O)Nc2ccc(OC(F)F)cc2F)c1[N+](=O)[O-] ZINC001556367095 1415065866 /nfs/dbraw/zinc/06/58/66/1415065866.db2.gz STBUKDJERCFITH-UHFFFAOYSA-N 0 0 342.233 2.565 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001556396204 1415067124 /nfs/dbraw/zinc/06/71/24/1415067124.db2.gz ISFWAZBOMQRBMP-ARFHVFGLSA-N 0 0 346.770 2.954 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)Cc2ccccc21 ZINC001556414104 1415068342 /nfs/dbraw/zinc/06/83/42/1415068342.db2.gz HLEALKFQKFCGFH-CYBMUJFWSA-N 0 0 344.392 2.881 10 5 EFBERN CC(C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)=C1CCC1 ZINC001556429475 1415069226 /nfs/dbraw/zinc/06/92/26/1415069226.db2.gz LWVKIADIBOGSOI-UHFFFAOYSA-N 0 0 341.371 2.567 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC001556504523 1415073319 /nfs/dbraw/zinc/07/33/19/1415073319.db2.gz BHIUWEBXZDLICZ-UHFFFAOYSA-N 0 0 341.342 2.987 10 5 EFBERN O=C(O[C@H]1CNOC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001556537359 1415074556 /nfs/dbraw/zinc/07/45/56/1415074556.db2.gz OZUXNMZIBANYLS-ZDUSSCGKSA-N 0 0 346.364 2.806 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCOc2cc(O)ccc2C1 ZINC001556553912 1415076277 /nfs/dbraw/zinc/07/62/77/1415076277.db2.gz UPPKOVXEDATYFU-UHFFFAOYSA-N 0 0 348.742 2.989 10 5 EFBERN CN=[S@@](C)(=O)c1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001556606473 1415079176 /nfs/dbraw/zinc/07/91/76/1415079176.db2.gz CBBOVNDMVXIJCB-DEOSSOPVSA-N 0 0 348.384 2.516 10 5 EFBERN O=C(Nn1ccnn1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001556701443 1415083371 /nfs/dbraw/zinc/08/33/71/1415083371.db2.gz PRRFCPGFHFACNP-UHFFFAOYSA-N 0 0 341.352 2.721 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC(C)(C)C(=O)c2ccccc2)n1 ZINC001556751463 1415086615 /nfs/dbraw/zinc/08/66/15/1415086615.db2.gz ZKMMDSZHBYXWCW-UHFFFAOYSA-N 0 0 327.340 2.690 10 5 EFBERN Cc1nocc1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001556793698 1415088903 /nfs/dbraw/zinc/08/89/03/1415088903.db2.gz SPKOQTFBSZLPCN-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001556872689 1415092848 /nfs/dbraw/zinc/09/28/48/1415092848.db2.gz XDPRNSDFORHTIN-ZDUSSCGKSA-N 0 0 341.367 2.969 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC001556860920 1415092989 /nfs/dbraw/zinc/09/29/89/1415092989.db2.gz DUKNKXUXGVSSDQ-NSHDSACASA-N 0 0 346.774 2.855 10 5 EFBERN Nc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1[N+](=O)[O-] ZINC001556894656 1415093925 /nfs/dbraw/zinc/09/39/25/1415093925.db2.gz PEAPGRRVHREDJH-UHFFFAOYSA-N 0 0 337.339 2.674 10 5 EFBERN Nc1ccc(NC(=O)C[C@@H](n2ccnc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001556894775 1415094095 /nfs/dbraw/zinc/09/40/95/1415094095.db2.gz UHTOHSSGMALJQC-LLVKDONJSA-N 0 0 343.265 2.506 10 5 EFBERN C[C@@H](C(=O)NCc1cnc(Cl)cn1)c1ccc([N+](=O)[O-])cc1F ZINC001556922561 1415095504 /nfs/dbraw/zinc/09/55/04/1415095504.db2.gz JYMMDFJRGLYZCN-MRVPVSSYSA-N 0 0 338.726 2.597 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN[C@H](c2ccccc2)C1 ZINC001557034297 1415102327 /nfs/dbraw/zinc/10/23/27/1415102327.db2.gz SCVNJWQJMBDYHP-AWEZNQCLSA-N 0 0 329.331 2.521 10 5 EFBERN COc1cccc(SC)c1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001557065958 1415103647 /nfs/dbraw/zinc/10/36/47/1415103647.db2.gz BQFNJSBELJTZMX-UHFFFAOYSA-N 0 0 335.341 2.678 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001557127141 1415106961 /nfs/dbraw/zinc/10/69/61/1415106961.db2.gz DZHOPCZAFWAVNU-RDJZCZTQSA-N 0 0 330.315 2.727 10 5 EFBERN O=C(NC[C@H]1CCc2cccnc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001557234422 1415114754 /nfs/dbraw/zinc/11/47/54/1415114754.db2.gz XFYSIQJZCHMBIU-GFCCVEGCSA-N 0 0 336.351 2.931 10 5 EFBERN C[C@H](O)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC001557343110 1415121979 /nfs/dbraw/zinc/12/19/79/1415121979.db2.gz ADKHKRANOBDQFE-VFZGTOFNSA-N 0 0 336.294 2.725 10 5 EFBERN C[C@H]1CCCC[C@]12CC(=O)NN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001557485664 1415127982 /nfs/dbraw/zinc/12/79/82/1415127982.db2.gz IFXVAIMCCCZDRJ-QFYYESIMSA-N 0 0 335.335 2.560 10 5 EFBERN COc1c(C)cc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001557551488 1415131312 /nfs/dbraw/zinc/13/13/12/1415131312.db2.gz NFBGOVXJRKMIFF-UHFFFAOYSA-N 0 0 336.735 2.795 10 5 EFBERN Cc1nnc(CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s1 ZINC001557629145 1415134985 /nfs/dbraw/zinc/13/49/85/1415134985.db2.gz BJUSSUHLMQOSOQ-UHFFFAOYSA-N 0 0 331.357 2.508 10 5 EFBERN CN=[S@@](C)(=O)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC001557675117 1415137420 /nfs/dbraw/zinc/13/74/20/1415137420.db2.gz CSOLLRNSJRBWKP-DEOSSOPVSA-N 0 0 341.436 2.845 10 5 EFBERN Cn1ncc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1Cl ZINC001557697432 1415138824 /nfs/dbraw/zinc/13/88/24/1415138824.db2.gz NTHMJHJUNGCOGK-UHFFFAOYSA-N 0 0 336.735 2.583 10 5 EFBERN Cc1cc2c(CCNC(=O)c3cc([N+](=O)[O-])c[nH]3)c[nH]c2cc1F ZINC001557729785 1415141063 /nfs/dbraw/zinc/14/10/63/1415141063.db2.gz PTYOAPHEZVABCP-UHFFFAOYSA-N 0 0 330.319 2.824 10 5 EFBERN COc1ccc(C(=O)NC2(CO)CCCCCCC2)cc1[N+](=O)[O-] ZINC001557995158 1415154607 /nfs/dbraw/zinc/15/46/07/1415154607.db2.gz BNXIJVGIYPAOJZ-UHFFFAOYSA-N 0 0 336.388 2.809 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C(=O)c1ccccc1 ZINC001558075019 1415158113 /nfs/dbraw/zinc/15/81/13/1415158113.db2.gz MYASAYUZMLIXOV-HNNXBMFYSA-N 0 0 327.340 2.690 10 5 EFBERN CN(CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC001558090823 1415159605 /nfs/dbraw/zinc/15/96/05/1415159605.db2.gz RAABWUIQFVTSCE-UHFFFAOYSA-N 0 0 348.790 2.900 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001558103714 1415159940 /nfs/dbraw/zinc/15/99/40/1415159940.db2.gz BEUKHDKIGOXNGN-SNVBAGLBSA-N 0 0 339.779 2.662 10 5 EFBERN Cn1ccc(Nc2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC001558110414 1415160929 /nfs/dbraw/zinc/16/09/29/1415160929.db2.gz HBSHBWIWZOPFHU-UHFFFAOYSA-N 0 0 331.376 2.938 10 5 EFBERN CC(C)OC1(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCC1 ZINC001558228715 1415167478 /nfs/dbraw/zinc/16/74/78/1415167478.db2.gz YTKAMCZCRXFKQM-UHFFFAOYSA-N 0 0 341.795 2.908 10 5 EFBERN CC(C)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001558290744 1415169769 /nfs/dbraw/zinc/16/97/69/1415169769.db2.gz AZBAXVSGOPXTLH-INIZCTEOSA-N 0 0 341.367 2.873 10 5 EFBERN O=C(Nc1cnc2[nH]ccc2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001558286822 1415169898 /nfs/dbraw/zinc/16/98/98/1415169898.db2.gz YEIOXWKTLIFOCA-UHFFFAOYSA-N 0 0 348.322 2.861 10 5 EFBERN CCc1ccc(C(=O)NCCNc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC001558489268 1415183162 /nfs/dbraw/zinc/18/31/62/1415183162.db2.gz UBMGGJKRAWEAAI-UHFFFAOYSA-N 0 0 328.372 2.703 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001558533762 1415186044 /nfs/dbraw/zinc/18/60/44/1415186044.db2.gz IOSCBLMMBJTEOJ-UHFFFAOYSA-N 0 0 328.372 2.744 10 5 EFBERN Cc1cc([C@@H]2CCCCN2C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[nH]n1 ZINC001558570337 1415190344 /nfs/dbraw/zinc/19/03/44/1415190344.db2.gz QMGWKSDDKPZDHM-LBPRGKRZSA-N 0 0 346.391 2.840 10 5 EFBERN Cc1cc([C@H]2CCCCN2C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[nH]n1 ZINC001558570335 1415190707 /nfs/dbraw/zinc/19/07/07/1415190707.db2.gz QMGWKSDDKPZDHM-GFCCVEGCSA-N 0 0 346.391 2.840 10 5 EFBERN Cc1nc2c(nccc2C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC001558603078 1415192274 /nfs/dbraw/zinc/19/22/74/1415192274.db2.gz JDLKXUKITILGQO-JTQLQIEISA-N 0 0 339.355 2.708 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c(N)c1[N+](=O)[O-] ZINC001558675737 1415194087 /nfs/dbraw/zinc/19/40/87/1415194087.db2.gz FDTFIYJLWHIORP-HWPZZCPQSA-N 0 0 343.339 2.652 10 5 EFBERN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3C)c(N)c1[N+](=O)[O-] ZINC001558676893 1415194877 /nfs/dbraw/zinc/19/48/77/1415194877.db2.gz VCQUMAKOBAFZCB-UHFFFAOYSA-N 0 0 326.356 2.730 10 5 EFBERN Cc1cc(NC(=O)CNC(=O)Nc2ccccc2)cc([N+](=O)[O-])c1 ZINC001558807473 1415203440 /nfs/dbraw/zinc/20/34/40/1415203440.db2.gz FVWOUBVOVVFGPZ-UHFFFAOYSA-N 0 0 328.328 2.663 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001558864661 1415206799 /nfs/dbraw/zinc/20/67/99/1415206799.db2.gz CLQCPFPXBRNXSW-MKPLZMMCSA-N 0 0 330.262 2.663 10 5 EFBERN O=C(NC[C@H](O)c1cccc(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001558919105 1415211213 /nfs/dbraw/zinc/21/12/13/1415211213.db2.gz AVZZCTCIAUIIJJ-AWEZNQCLSA-N 0 0 338.722 2.851 10 5 EFBERN Nc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2O)cc1[N+](=O)[O-] ZINC001558921700 1415211382 /nfs/dbraw/zinc/21/13/82/1415211382.db2.gz WVUQKDGYJSWLKN-UHFFFAOYSA-N 0 0 342.233 2.549 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nccc2ccncc21 ZINC001558976119 1415215695 /nfs/dbraw/zinc/21/56/95/1415215695.db2.gz BCEPMUSONTVXKG-UHFFFAOYSA-N 0 0 326.287 2.858 10 5 EFBERN COc1ccc(CNc2nn(C)cc2[N+](=O)[O-])cc1Br ZINC001559089850 1415223842 /nfs/dbraw/zinc/22/38/42/1415223842.db2.gz AIESRUYZDNSSEK-UHFFFAOYSA-N 0 0 341.165 2.712 10 5 EFBERN Nc1nc(Oc2cc(Cl)ccc2[N+](=O)[O-])nc(C(F)(F)F)n1 ZINC001559085129 1415223646 /nfs/dbraw/zinc/22/36/46/1415223646.db2.gz ZDYSIPDPPNFBMM-UHFFFAOYSA-N 0 0 335.629 2.827 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(Cl)s3)C2)n1 ZINC001559117554 1415224814 /nfs/dbraw/zinc/22/48/14/1415224814.db2.gz NCNDDXLHAXFQPN-VIFPVBQESA-N 0 0 328.781 2.621 10 5 EFBERN CO[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(F)cc1 ZINC001559116628 1415225143 /nfs/dbraw/zinc/22/51/43/1415225143.db2.gz DYRKGHFWCIJOMM-HNNXBMFYSA-N 0 0 333.319 2.632 10 5 EFBERN NC(=O)c1[nH]nc2ccc(Nc3ncc([N+](=O)[O-])c4ccccc43)cc21 ZINC001559141724 1415226633 /nfs/dbraw/zinc/22/66/33/1415226633.db2.gz HBOFRGUMRXFMPL-UHFFFAOYSA-N 0 0 348.322 2.862 10 5 EFBERN CC[C@@H](CO)Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001559167605 1415227177 /nfs/dbraw/zinc/22/71/77/1415227177.db2.gz AOEFNHDJUNVXKC-VIFPVBQESA-N 0 0 340.177 2.510 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001559152567 1415227370 /nfs/dbraw/zinc/22/73/70/1415227370.db2.gz RUZQUGBUPMFYSY-UHFFFAOYSA-N 0 0 325.712 2.545 10 5 EFBERN CCOC(C)(C)CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559167435 1415227450 /nfs/dbraw/zinc/22/74/50/1415227450.db2.gz ZNDBMEQFAGNWHG-UHFFFAOYSA-N 0 0 334.332 2.700 10 5 EFBERN O=c1cncc(Cl)n1-c1ccc([N+](=O)[O-])cc1Br ZINC001559196302 1415228922 /nfs/dbraw/zinc/22/89/22/1415228922.db2.gz NJZGVWKOAZAXMZ-UHFFFAOYSA-N 0 0 330.525 2.557 10 5 EFBERN Cc1nnsc1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001559200910 1415229369 /nfs/dbraw/zinc/22/93/69/1415229369.db2.gz CGOJCXGNWVWOJH-UHFFFAOYSA-N 0 0 336.764 2.963 10 5 EFBERN Cc1ccoc1CN(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559198362 1415229581 /nfs/dbraw/zinc/22/95/81/1415229581.db2.gz MDBYDRCXIXWYPO-UHFFFAOYSA-N 0 0 327.340 2.985 10 5 EFBERN COc1ccc2c(c1)OC(C)(C)CN(c1nn(C)cc1[N+](=O)[O-])C2 ZINC001559215789 1415230203 /nfs/dbraw/zinc/23/02/03/1415230203.db2.gz WBWFLEXZPSJUGC-UHFFFAOYSA-N 0 0 332.360 2.515 10 5 EFBERN CSc1nc(CNc2ccc3cnccc3c2[N+](=O)[O-])cc(=O)[nH]1 ZINC001559223953 1415231058 /nfs/dbraw/zinc/23/10/58/1415231058.db2.gz ODFVZDBZTHDCNJ-UHFFFAOYSA-N 0 0 343.368 2.973 10 5 EFBERN CCc1cc(N[C@H]2C[C@H](OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559250507 1415233119 /nfs/dbraw/zinc/23/31/19/1415233119.db2.gz ZAGIOHUMWJTCFU-CTYIDZIISA-N 0 0 328.372 2.625 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(=O)c2ccccc2[nH]1 ZINC001559259036 1415234020 /nfs/dbraw/zinc/23/40/20/1415234020.db2.gz FXVDLAQKBMOIAY-UHFFFAOYSA-N 0 0 327.344 2.573 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cncc(N(C)C)c1 ZINC001559253695 1415234133 /nfs/dbraw/zinc/23/41/33/1415234133.db2.gz ITWCKYIFEGQKNS-UHFFFAOYSA-N 0 0 330.344 2.894 10 5 EFBERN CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)o1 ZINC001559267323 1415234561 /nfs/dbraw/zinc/23/45/61/1415234561.db2.gz LBAGTHWWVVWCBG-UHFFFAOYSA-N 0 0 334.357 2.584 10 5 EFBERN CCN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001559277224 1415235694 /nfs/dbraw/zinc/23/56/94/1415235694.db2.gz IUDCREIIAKEQRN-ZDUSSCGKSA-N 0 0 336.392 2.826 10 5 EFBERN O=c1[nH]c2cc(CNc3ncnc4cccc([N+](=O)[O-])c43)ccc2o1 ZINC001559273716 1415235835 /nfs/dbraw/zinc/23/58/35/1415235835.db2.gz BBTWEZYGVQMRCU-UHFFFAOYSA-N 0 0 337.295 2.997 10 5 EFBERN O=[N+]([O-])c1ncccc1NCc1nc(Cc2ccccc2F)no1 ZINC001559277139 1415235843 /nfs/dbraw/zinc/23/58/43/1415235843.db2.gz FVZCAZPDLYVSEX-UHFFFAOYSA-N 0 0 329.291 2.715 10 5 EFBERN CC(=O)c1ccc(N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001559283063 1415236385 /nfs/dbraw/zinc/23/63/85/1415236385.db2.gz SJGATFPZLCWEBU-GUYCJALGSA-N 0 0 347.371 2.512 10 5 EFBERN C[C@H](CC(N)=O)c1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001559289748 1415237367 /nfs/dbraw/zinc/23/73/67/1415237367.db2.gz JGZFPHPNXIEDKR-SNVBAGLBSA-N 0 0 347.346 2.949 10 5 EFBERN CN1c2cc(Nc3ncc([N+](=O)[O-])cn3)ccc2OCC(C)(C)C1=O ZINC001559286830 1415237583 /nfs/dbraw/zinc/23/75/83/1415237583.db2.gz RFVPLOIWJMAURE-UHFFFAOYSA-N 0 0 343.343 2.510 10 5 EFBERN CCOC(=O)c1ccnc(NCCc2cccnc2C)c1[N+](=O)[O-] ZINC001559298526 1415238205 /nfs/dbraw/zinc/23/82/05/1415238205.db2.gz XWFKJEOQEGVYKD-UHFFFAOYSA-N 0 0 330.344 2.525 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](c3nccc(=O)[nH]3)CC2)n1 ZINC001559301287 1415238217 /nfs/dbraw/zinc/23/82/17/1415238217.db2.gz SHNZRASZJBECGD-HAQNSBGRSA-N 0 0 329.360 2.932 10 5 EFBERN COC(=O)[C@]1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCOC1 ZINC001559304583 1415238741 /nfs/dbraw/zinc/23/87/41/1415238741.db2.gz AMAOZVFXHYCMDP-ZDUSSCGKSA-N 0 0 348.277 2.605 10 5 EFBERN CCOC(=O)c1ncc(COc2ccc(OC)cc2[N+](=O)[O-])s1 ZINC001559324262 1415239581 /nfs/dbraw/zinc/23/95/81/1415239581.db2.gz JEHIPSWEDBWJIQ-UHFFFAOYSA-N 0 0 338.341 2.816 10 5 EFBERN Cc1ccc(CSc2nnnn2-c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001559325024 1415239699 /nfs/dbraw/zinc/23/96/99/1415239699.db2.gz RDDLNAYYUVUVFG-UHFFFAOYSA-N 0 0 343.368 2.877 10 5 EFBERN CCc1cc(=O)oc2cc(OCCn3c(C)ncc3[N+](=O)[O-])ccc12 ZINC001559348750 1415240671 /nfs/dbraw/zinc/24/06/71/1415240671.db2.gz YECMRHIMGQAYJB-UHFFFAOYSA-N 0 0 343.339 2.848 10 5 EFBERN CS(=O)(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2F)c1 ZINC001559359883 1415241312 /nfs/dbraw/zinc/24/13/12/1415241312.db2.gz XTHYGUCQAIJRSD-UHFFFAOYSA-N 0 0 325.317 2.716 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3nc(C4CCC4)no3)n2)c1 ZINC001559369187 1415241380 /nfs/dbraw/zinc/24/13/80/1415241380.db2.gz YSOMBCKFYDGYCE-UHFFFAOYSA-N 0 0 326.316 2.552 10 5 EFBERN Cc1nn(Cc2nc(-c3ccccc3)no2)c2ncc([N+](=O)[O-])cc12 ZINC001559377595 1415241888 /nfs/dbraw/zinc/24/18/88/1415241888.db2.gz HWIUFMCXPREPDQ-UHFFFAOYSA-N 0 0 336.311 2.746 10 5 EFBERN Cc1cn2c(nc(COc3cccc(C)c3[N+](=O)[O-])cc2=O)s1 ZINC001559389177 1415242565 /nfs/dbraw/zinc/24/25/65/1415242565.db2.gz PPPZTRDOYPPSEB-UHFFFAOYSA-N 0 0 331.353 2.860 10 5 EFBERN CCOC(=O)c1ncc(COc2c(Cl)cncc2[N+](=O)[O-])s1 ZINC001559410430 1415243988 /nfs/dbraw/zinc/24/39/88/1415243988.db2.gz ILOWQDSVLVKGTJ-UHFFFAOYSA-N 0 0 343.748 2.855 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1Cl)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001559417698 1415244084 /nfs/dbraw/zinc/24/40/84/1415244084.db2.gz CVZZUFVYCFMFFG-ZETCQYMHSA-N 0 0 339.695 2.553 10 5 EFBERN Nc1nc(SCC(=O)c2sccc2Cl)ncc1[N+](=O)[O-] ZINC001559415452 1415244147 /nfs/dbraw/zinc/24/41/47/1415244147.db2.gz UJJFFAWQKHHJSK-UHFFFAOYSA-N 0 0 330.778 2.657 10 5 EFBERN Cc1ncc([N+](=O)[O-])c(OCc2ncn(-c3ccccc3)n2)c1C ZINC001559423028 1415244473 /nfs/dbraw/zinc/24/44/73/1415244473.db2.gz BJBUCADIKYEBBW-UHFFFAOYSA-N 0 0 325.328 2.766 10 5 EFBERN CCOc1ccc(-c2nc(Cn3ncc([N+](=O)[O-])n3)cs2)cc1 ZINC001559454236 1415247153 /nfs/dbraw/zinc/24/71/53/1415247153.db2.gz RVPLJLMPYDKGHZ-UHFFFAOYSA-N 0 0 331.357 2.757 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001559491293 1415249194 /nfs/dbraw/zinc/24/91/94/1415249194.db2.gz CYJVJHCSLUZIFM-ZDUSSCGKSA-N 0 0 346.391 2.587 10 5 EFBERN CCOC(=O)c1cc(CN2CCc3cc(C)c([N+](=O)[O-])cc32)on1 ZINC001559708605 1415254025 /nfs/dbraw/zinc/25/40/25/1415254025.db2.gz XKWJJYIOLZRHTE-UHFFFAOYSA-N 0 0 331.328 2.631 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@@H]2CCC[C@]23CCCO3)o1 ZINC001560100992 1415263183 /nfs/dbraw/zinc/26/31/83/1415263183.db2.gz ZJNXWZURLDIDSI-PBHICJAKSA-N 0 0 344.371 2.836 10 5 EFBERN COc1cc(CN2CC[C@H](c3ncccn3)C2)c([N+](=O)[O-])cc1F ZINC001560176606 1415266245 /nfs/dbraw/zinc/26/62/45/1415266245.db2.gz CIBKFVZBMQLFLT-NSHDSACASA-N 0 0 332.335 2.522 10 5 EFBERN CON(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C)o1 ZINC001560159098 1415266420 /nfs/dbraw/zinc/26/64/20/1415266420.db2.gz HRKORECXBUPLTH-UHFFFAOYSA-N 0 0 333.344 2.807 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2ncccc2C)c1 ZINC001560221547 1415268008 /nfs/dbraw/zinc/26/80/08/1415268008.db2.gz YTRROEVDIOSGGN-GFCCVEGCSA-N 0 0 329.356 2.936 10 5 EFBERN CC(=O)c1ccc(OS(=O)(=O)C[C@@H]2CCC2(F)F)c([N+](=O)[O-])c1 ZINC001561403724 1415315444 /nfs/dbraw/zinc/31/54/44/1415315444.db2.gz QXQBOAHWTXZPQV-JTQLQIEISA-N 0 0 349.311 2.551 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C)cs1 ZINC001561441239 1415316353 /nfs/dbraw/zinc/31/63/53/1415316353.db2.gz SWLNLAJPDMVDRO-UHFFFAOYSA-N 0 0 341.366 2.935 10 5 EFBERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC001564432044 1415377948 /nfs/dbraw/zinc/37/79/48/1415377948.db2.gz SACUWLKHENJRRC-KCPJHIHWSA-N 0 0 335.404 2.762 10 5 EFBERN CC[C@H](NC(=O)N[C@H](C)c1noc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC001564497478 1415378522 /nfs/dbraw/zinc/37/85/22/1415378522.db2.gz RWFQUHQQHCYBFI-RNCFNFMXSA-N 0 0 333.348 2.798 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001564529700 1415378693 /nfs/dbraw/zinc/37/86/93/1415378693.db2.gz LSNAPRSAPLAQOQ-VHSXEESVSA-N 0 0 349.416 2.919 10 5 EFBERN O=C(N[C@@H](C1CC1)C1CCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001564885061 1415384816 /nfs/dbraw/zinc/38/48/16/1415384816.db2.gz YIHIVSJRIGVZFA-QGZVFWFLSA-N 0 0 345.399 2.946 10 5 EFBERN COC(=O)CC(C)(C)CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001565338815 1415392957 /nfs/dbraw/zinc/39/29/57/1415392957.db2.gz GQHKLPKMILOPRD-LLVKDONJSA-N 0 0 337.376 2.544 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC001565338070 1415393413 /nfs/dbraw/zinc/39/34/13/1415393413.db2.gz OEVYEJQKMRPNJP-SSKCKEOISA-N 0 0 341.367 2.613 10 5 EFBERN Cc1cc(N(C)CCNC(=O)C2(C(F)F)CC2)ccc1[N+](=O)[O-] ZINC001565599618 1415406155 /nfs/dbraw/zinc/40/61/55/1415406155.db2.gz COHJTQARTJAVFN-UHFFFAOYSA-N 0 0 327.331 2.501 10 5 EFBERN CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC001565606905 1415406872 /nfs/dbraw/zinc/40/68/72/1415406872.db2.gz KTXHKPXEMTZQRR-AWEZNQCLSA-N 0 0 337.420 2.787 10 5 EFBERN Nc1ncc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC001565648087 1415408576 /nfs/dbraw/zinc/40/85/76/1415408576.db2.gz RWSPYLDMXQWIQU-OAHLLOKOSA-N 0 0 344.346 2.982 10 5 EFBERN Nc1ncc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC001565648086 1415408649 /nfs/dbraw/zinc/40/86/49/1415408649.db2.gz RWSPYLDMXQWIQU-HNNXBMFYSA-N 0 0 344.346 2.982 10 5 EFBERN O=C(Nc1cnn(CC(F)F)c1)c1cccc([N+](=O)[O-])c1Cl ZINC001565766839 1415414790 /nfs/dbraw/zinc/41/47/90/1415414790.db2.gz JQMMADAXANEBJJ-UHFFFAOYSA-N 0 0 330.678 2.962 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cnn(CC(F)F)c1 ZINC001565767633 1415414978 /nfs/dbraw/zinc/41/49/78/1415414978.db2.gz QXPUCZDUNNDPED-UHFFFAOYSA-N 0 0 344.705 2.891 10 5 EFBERN Cc1ccc(NCCCNC(=O)c2nccnc2Cl)c([N+](=O)[O-])c1 ZINC001565828713 1415422676 /nfs/dbraw/zinc/42/26/76/1415422676.db2.gz WVLHDTGBZYDFAN-UHFFFAOYSA-N 0 0 349.778 2.579 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cc(C=O)ccc2F)cc([N+](=O)[O-])c1 ZINC001565986366 1415470928 /nfs/dbraw/zinc/47/09/28/1415470928.db2.gz WZLCRGPJODLAFC-UHFFFAOYSA-N 0 0 346.270 2.585 10 5 EFBERN Cc1csc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C2CC2)n1 ZINC001566005757 1415480898 /nfs/dbraw/zinc/48/08/98/1415480898.db2.gz HWBUXGCSRKHJAV-CYBMUJFWSA-N 0 0 332.385 2.823 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cccnc1C ZINC001566066657 1415500166 /nfs/dbraw/zinc/50/01/66/1415500166.db2.gz QJCLBLGSOIUKSB-UHFFFAOYSA-N 0 0 332.291 2.648 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC001566096594 1415512591 /nfs/dbraw/zinc/51/25/91/1415512591.db2.gz CWBGINIOURMRPZ-UHFFFAOYSA-N 0 0 335.751 2.689 10 5 EFBERN Cc1ccccc1[C@@H](O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001566310866 1415539646 /nfs/dbraw/zinc/53/96/46/1415539646.db2.gz YGPBRWWEXVNFKG-INIZCTEOSA-N 0 0 348.786 2.949 10 5 EFBERN COc1cccc([C@@H](O)CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1 ZINC001566336640 1415541858 /nfs/dbraw/zinc/54/18/58/1415541858.db2.gz BWWJSZTZOPJYFY-HNNXBMFYSA-N 0 0 348.330 2.514 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC001566373393 1415543499 /nfs/dbraw/zinc/54/34/99/1415543499.db2.gz MNKYRJHLKMPOAD-UHFFFAOYSA-N 0 0 341.367 2.935 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCc1ccc(O)cc1 ZINC001566370015 1415543698 /nfs/dbraw/zinc/54/36/98/1415543698.db2.gz IXJCRPPFVFOUKK-UHFFFAOYSA-N 0 0 342.351 2.622 10 5 EFBERN COc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(F)c1 ZINC001566389048 1415544704 /nfs/dbraw/zinc/54/47/04/1415544704.db2.gz FVCOELZKOONWOT-UHFFFAOYSA-N 0 0 336.294 2.741 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](CO)c1ccccc1 ZINC001566386230 1415545042 /nfs/dbraw/zinc/54/50/42/1415545042.db2.gz CMJBCTALVYBFGQ-CYBMUJFWSA-N 0 0 332.331 2.548 10 5 EFBERN CN(CCCNC(=O)C1C=CC=CC=C1)Cc1csc([N+](=O)[O-])c1 ZINC001566458444 1415559143 /nfs/dbraw/zinc/55/91/43/1415559143.db2.gz XNDMZGSTPUCPGU-UHFFFAOYSA-N 0 0 347.440 2.893 10 5 EFBERN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC(CO)CC1 ZINC001566527002 1415614713 /nfs/dbraw/zinc/61/47/13/1415614713.db2.gz BUCPKCKPMABTNL-UHFFFAOYSA-N 0 0 341.367 2.501 10 5 EFBERN CCN(CCCNC(=O)C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001566537330 1415624454 /nfs/dbraw/zinc/62/44/54/1415624454.db2.gz NUYRLAXGLIBYGX-UHFFFAOYSA-N 0 0 325.434 2.785 10 5 EFBERN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001566561290 1415642869 /nfs/dbraw/zinc/64/28/69/1415642869.db2.gz ZLRMMRFAIKGSOI-NSHDSACASA-N 0 0 330.315 2.664 10 5 EFBERN CN(CC1(O)CCCC1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001566698748 1415737855 /nfs/dbraw/zinc/73/78/55/1415737855.db2.gz RJAPZFPXZJFAHL-UHFFFAOYSA-N 0 0 343.383 2.707 10 5 EFBERN O=C(Nc1ccc(O)cc1F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001566760430 1415766656 /nfs/dbraw/zinc/76/66/56/1415766656.db2.gz INCSMEGVHCVXQA-UHFFFAOYSA-N 0 0 348.286 2.853 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2nc3cc[nH]cc-3n2)c1F ZINC001567204330 1415995016 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CN(CCNC(=O)Cc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001567318652 1416070722 /nfs/dbraw/zinc/07/07/22/1416070722.db2.gz XGZWXNXNHVCIBS-UHFFFAOYSA-N 0 0 345.374 2.525 10 5 EFBERN CCCN(CCNC(=O)c1cc(C)on1)Cc1ccccc1[N+](=O)[O-] ZINC001567422264 1416130856 /nfs/dbraw/zinc/13/08/56/1416130856.db2.gz VPXJJKLWVPZQPG-UHFFFAOYSA-N 0 0 346.387 2.533 10 5 EFBERN C/C=C/C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OCC ZINC001567433971 1416137060 /nfs/dbraw/zinc/13/70/60/1416137060.db2.gz SXCBHXMJQYLULZ-OGOUPESXSA-N 0 0 340.763 2.876 10 5 EFBERN O=C(NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC2(CC2)C1 ZINC001567448955 1416144502 /nfs/dbraw/zinc/14/45/02/1416144502.db2.gz LEPHKFFGKSTRLL-UHFFFAOYSA-N 0 0 343.427 2.866 10 5 EFBERN O=C(Nc1ccc(-n2cnnc2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001567529160 1416175422 /nfs/dbraw/zinc/17/54/22/1416175422.db2.gz XCGMEHFHMSWJJX-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN Nc1c(Cl)cccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001567618368 1416212772 /nfs/dbraw/zinc/21/27/72/1416212772.db2.gz HQSOMYABXSJWJH-UHFFFAOYSA-N 0 0 347.758 2.734 10 5 EFBERN CCCC(C)(C)C(=O)NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001567838462 1416294498 /nfs/dbraw/zinc/29/44/98/1416294498.db2.gz AMZGECHBRPDTSZ-UHFFFAOYSA-N 0 0 333.432 2.969 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CC2)c2ccccc21 ZINC001567929366 1416328837 /nfs/dbraw/zinc/32/88/37/1416328837.db2.gz BOOPHUPULUNCKN-UHFFFAOYSA-N 0 0 338.367 2.806 10 5 EFBERN CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc2cccnc21 ZINC001567969359 1416346182 /nfs/dbraw/zinc/34/61/82/1416346182.db2.gz HEYJCFIEQMCAHH-KRWDZBQOSA-N 0 0 337.335 2.839 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CC1CCCC1 ZINC001568009572 1416358420 /nfs/dbraw/zinc/35/84/20/1416358420.db2.gz WSUFONINGHAIJV-LBPRGKRZSA-N 0 0 338.429 2.988 10 5 EFBERN COC1(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCCC1 ZINC001568237465 1416450978 /nfs/dbraw/zinc/45/09/78/1416450978.db2.gz JNQGAQACBRBJMH-UHFFFAOYSA-N 0 0 346.387 2.827 10 5 EFBERN O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1F ZINC001568258617 1416458503 /nfs/dbraw/zinc/45/85/03/1416458503.db2.gz TZNKKSMPBACKOY-UHFFFAOYSA-N 0 0 345.265 2.910 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC001568326688 1416477923 /nfs/dbraw/zinc/47/79/23/1416477923.db2.gz OQVJKVNLBXIITA-CQSZACIVSA-N 0 0 336.294 2.645 10 5 EFBERN O=C(N[C@H]1CCc2cc(O)ccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001568330423 1416479122 /nfs/dbraw/zinc/47/91/22/1416479122.db2.gz WUJVLBCLNWXNSG-LBPRGKRZSA-N 0 0 330.315 2.727 10 5 EFBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](O)c1ccccc1 ZINC001568360417 1416491762 /nfs/dbraw/zinc/49/17/62/1416491762.db2.gz KCPNLFYTRSLPNY-DLBZAZTESA-N 0 0 343.383 2.665 10 5 EFBERN CN(CCN(C)C(=O)c1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001568473163 1416540904 /nfs/dbraw/zinc/54/09/04/1416540904.db2.gz OOVKUJJIUVUJFC-UHFFFAOYSA-N 0 0 345.374 2.938 10 5 EFBERN CN(CCN(C)C(=O)CCC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC001568476930 1416541414 /nfs/dbraw/zinc/54/14/14/1416541414.db2.gz QEIKQFWBRGXDAK-UHFFFAOYSA-N 0 0 325.434 2.737 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC(C)(C)CO1 ZINC001645728448 1416550180 /nfs/dbraw/zinc/55/01/80/1416550180.db2.gz XVJJDAYZLYTSIO-ZDUSSCGKSA-N 0 0 335.404 2.962 10 5 EFBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC(F)(F)OC(F)(F)C1 ZINC001645860667 1416575795 /nfs/dbraw/zinc/57/57/95/1416575795.db2.gz SEPPBWNRRAZRFP-UHFFFAOYSA-N 0 0 342.632 2.906 10 5 EFBERN CON(Cc1ccc(C)o1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001645883874 1416579840 /nfs/dbraw/zinc/57/98/40/1416579840.db2.gz CTGPPMHMZTVWOK-UHFFFAOYSA-N 0 0 333.344 2.523 10 5 EFBERN C[C@@]1(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCCCO1 ZINC001645895075 1416581388 /nfs/dbraw/zinc/58/13/88/1416581388.db2.gz DBTLLTLEFGOVIN-AWEZNQCLSA-N 0 0 327.768 2.519 10 5 EFBERN Cc1cccc(CN(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC001646196075 1416629668 /nfs/dbraw/zinc/62/96/68/1416629668.db2.gz CADZFBBNEOLDHR-UHFFFAOYSA-N 0 0 339.355 2.980 10 5 EFBERN Cc1ccc(NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)c(N)c1[N+](=O)[O-] ZINC001646258394 1416638906 /nfs/dbraw/zinc/63/89/06/1416638906.db2.gz COXYWIGSZLNHQZ-QMMMGPOBSA-N 0 0 329.360 2.586 10 5 EFBERN Cc1ccc(NC(=O)CCn2cnc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001646255824 1416638935 /nfs/dbraw/zinc/63/89/35/1416638935.db2.gz SIYBXWNSKUDANR-UHFFFAOYSA-N 0 0 339.355 2.864 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001646254737 1416639159 /nfs/dbraw/zinc/63/91/59/1416639159.db2.gz BURWKNXIHUCXRS-LLVKDONJSA-N 0 0 340.339 2.550 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)c(N)c1[N+](=O)[O-] ZINC001646259494 1416639529 /nfs/dbraw/zinc/63/95/29/1416639529.db2.gz NGKVVULECYDJEO-ZDUSSCGKSA-N 0 0 331.303 2.567 10 5 EFBERN Cc1[nH]nc2nc(C)cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)c12 ZINC001646259980 1416639594 /nfs/dbraw/zinc/63/95/94/1416639594.db2.gz UHCNLILWEKLENB-UHFFFAOYSA-N 0 0 340.343 2.626 10 5 EFBERN CCc1[nH]c(=O)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1C ZINC001646259495 1416639673 /nfs/dbraw/zinc/63/96/73/1416639673.db2.gz NGOIDRWQATVUJS-UHFFFAOYSA-N 0 0 330.344 2.709 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(OC(F)F)nc2)c(N)c1[N+](=O)[O-] ZINC001646258670 1416639788 /nfs/dbraw/zinc/63/97/88/1416639788.db2.gz GAJPGTKRKNFKRY-UHFFFAOYSA-N 0 0 338.270 2.734 10 5 EFBERN C[C@H](NC(=O)N[C@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001683830482 1416686119 /nfs/dbraw/zinc/68/61/19/1416686119.db2.gz HJRBVIYJYFNKKD-SWLSCSKDSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001683830484 1416686277 /nfs/dbraw/zinc/68/62/77/1416686277.db2.gz HLBFCTKGURWHHI-SSKCKEOISA-N 0 0 341.367 2.613 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001683836228 1416686296 /nfs/dbraw/zinc/68/62/96/1416686296.db2.gz CYTZINQESARDHX-ZYHUDNBSSA-N 0 0 329.360 2.815 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001684043329 1416691714 /nfs/dbraw/zinc/69/17/14/1416691714.db2.gz RLYDORJOHKRZHI-VXGBXAGGSA-N 0 0 339.392 2.743 10 5 EFBERN COc1ccc(CCNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC001684393029 1416720363 /nfs/dbraw/zinc/72/03/63/1416720363.db2.gz JCQAXLKPSGOLOH-GFCCVEGCSA-N 0 0 344.371 2.601 10 5 EFBERN C[C@H](CNC(=O)NC[C@]1(C)CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001684397750 1416720550 /nfs/dbraw/zinc/72/05/50/1416720550.db2.gz VCDWERQRTMBZEV-QBIMZIAESA-N 0 0 349.431 2.939 10 5 EFBERN C[C@@H](NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])c1csnn1 ZINC001684397790 1416720716 /nfs/dbraw/zinc/72/07/16/1416720716.db2.gz VRYDZJMCJQBOAQ-NXEZZACHSA-N 0 0 335.389 2.610 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001684664340 1416727241 /nfs/dbraw/zinc/72/72/41/1416727241.db2.gz PPZJOGGKAIAPNH-IAOVAPTHSA-N 0 0 344.415 2.615 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001684706963 1416728786 /nfs/dbraw/zinc/72/87/86/1416728786.db2.gz XGFKASSYKMEXJD-AWEZNQCLSA-N 0 0 335.404 2.908 10 5 EFBERN C[C@@H](NC(=O)NCc1cnc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001684761992 1416729970 /nfs/dbraw/zinc/72/99/70/1416729970.db2.gz WXGUUGHBOYOXSN-SECBINFHSA-N 0 0 335.751 2.599 10 5 EFBERN CC[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC001685072033 1416742245 /nfs/dbraw/zinc/74/22/45/1416742245.db2.gz NKEZSLQMJVBNBW-HLUHBDAQSA-N 0 0 349.309 2.657 10 5 EFBERN Cc1ccccc1[C@@H](CO)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001685148948 1416751245 /nfs/dbraw/zinc/75/12/45/1416751245.db2.gz MGTHISYCLICFGA-CXAGYDPISA-N 0 0 343.383 2.997 10 5 EFBERN CCC(CC)[C@H](O)CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001685527825 1416766311 /nfs/dbraw/zinc/76/63/11/1416766311.db2.gz MDFLKKGQHDUIJG-MLGOLLRUSA-N 0 0 337.420 2.795 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001685621182 1416769523 /nfs/dbraw/zinc/76/95/23/1416769523.db2.gz FXPHNNFKMYLYCC-UHFFFAOYSA-N 0 0 344.371 2.738 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1([C@H]2CCCCO2)CC1 ZINC001685861462 1416774934 /nfs/dbraw/zinc/77/49/34/1416774934.db2.gz QBSGXARXNHBGCV-OAHLLOKOSA-N 0 0 349.387 2.504 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1([C@@H]2CCCCO2)CC1 ZINC001685861461 1416775223 /nfs/dbraw/zinc/77/52/23/1416775223.db2.gz QBSGXARXNHBGCV-HNNXBMFYSA-N 0 0 349.387 2.504 10 5 EFBERN C[C@@H](CNC(=O)N[C@@H](CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001687733554 1416869093 /nfs/dbraw/zinc/86/90/93/1416869093.db2.gz SRTQMTGPRTUTBD-BBRMVZONSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H](CNC(=O)N[C@H](CO)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001687733562 1416869103 /nfs/dbraw/zinc/86/91/03/1416869103.db2.gz SRTQMTGPRTUTBD-CZUORRHYSA-N 0 0 349.431 2.939 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001687777820 1416878135 /nfs/dbraw/zinc/87/81/35/1416878135.db2.gz AHLIGVBXNJOSCG-UHFFFAOYSA-N 0 0 344.371 2.738 10 5 EFBERN CN(CCNC(=O)c1ccc(C(F)F)o1)c1ccc([N+](=O)[O-])cc1 ZINC001690127889 1417160810 /nfs/dbraw/zinc/16/08/10/1417160810.db2.gz ZBLAGPPEEWYLOE-UHFFFAOYSA-N 0 0 339.298 2.992 10 5 EFBERN Cc1nc(CCC(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001690129848 1417161585 /nfs/dbraw/zinc/16/15/85/1417161585.db2.gz OYQCJIPQHKJWKB-UHFFFAOYSA-N 0 0 348.428 2.545 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C(C)(C)CC(C)C)n1 ZINC001690214970 1417175017 /nfs/dbraw/zinc/17/50/17/1417175017.db2.gz NBHFHXUPBAKSPK-UHFFFAOYSA-N 0 0 336.436 2.923 10 5 EFBERN Cc1cc(F)ccc1C(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001690322309 1417190657 /nfs/dbraw/zinc/19/06/57/1417190657.db2.gz DZBFOBSYRXGYDG-UHFFFAOYSA-N 0 0 346.362 2.646 10 5 EFBERN CN(CCN(C)C(=O)C1(C)CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001698993917 1417361501 /nfs/dbraw/zinc/36/15/01/1417361501.db2.gz GAPCWVKVDNWQLH-UHFFFAOYSA-N 0 0 331.416 2.841 10 5 EFBERN Cc1coc(C(=O)NCCCN(C)Cc2csc([N+](=O)[O-])c2)c1 ZINC001707398897 1418238954 /nfs/dbraw/zinc/23/89/54/1418238954.db2.gz WCTPKMIVNGQCOY-UHFFFAOYSA-N 0 0 337.401 2.810 10 5 EFBERN O=C(CCC1CCC1)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001716678534 1418956004 /nfs/dbraw/zinc/95/60/04/1418956004.db2.gz JLSQLBZWXNOIHV-UHFFFAOYSA-N 0 0 337.445 2.975 10 5 EFBERN CCC1(C(=O)NCC2(NCc3csc([N+](=O)[O-])c3)CC2)CCC1 ZINC001716690478 1418958869 /nfs/dbraw/zinc/95/88/69/1418958869.db2.gz HDXJBIWNAFRQOY-UHFFFAOYSA-N 0 0 337.445 2.975 10 5 EFBERN CC1(C(=O)NCC2=CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001718021358 1419660886 /nfs/dbraw/zinc/66/08/86/1419660886.db2.gz JIIAFVAPZVQHBR-UHFFFAOYSA-N 0 0 329.400 2.643 10 5 EFBERN CC(C)(F)C(=O)NC1(C)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001723996164 1424619131 /nfs/dbraw/zinc/61/91/31/1424619131.db2.gz JYDOYPULWFTINY-UHFFFAOYSA-N 0 0 343.424 2.875 10 5 EFBERN CC[C@H](Cn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)OC ZINC001727242781 1426298299 /nfs/dbraw/zinc/29/82/99/1426298299.db2.gz UCCPYMALNWHPCA-MRXNPFEDSA-N 0 0 347.419 2.599 10 5 EFBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCC1 ZINC001728387186 1426315427 /nfs/dbraw/zinc/31/54/27/1426315427.db2.gz WEYRXWKRDATGTF-UHFFFAOYSA-N 0 0 345.403 2.615 10 5 EFBERN CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001729155299 1426323040 /nfs/dbraw/zinc/32/30/40/1426323040.db2.gz ZNIYZTVLLPQILG-UHFFFAOYSA-N 0 0 345.403 2.879 10 5 EFBERN C[C@@]1(C2CC2)COCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000890591885 713087043 /nfs/dbraw/zinc/08/70/43/713087043.db2.gz VRMBKJLWNKQMDB-JZXOWHBKSA-N 0 0 330.384 2.726 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000254950651 713141288 /nfs/dbraw/zinc/14/12/88/713141288.db2.gz NAJSQEFTYPQNGE-FWPCIQOSSA-N 0 0 336.388 2.990 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H](Oc2ccncc2)C1 ZINC000804673439 713394342 /nfs/dbraw/zinc/39/43/42/713394342.db2.gz CFTCOCSJXZETKY-GFCCVEGCSA-N 0 0 330.300 2.556 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCCCC[C@@H]3CCO)cc2N1 ZINC000804709140 713442655 /nfs/dbraw/zinc/44/26/55/713442655.db2.gz XAOLPCUFKZOZOH-CYBMUJFWSA-N 0 0 333.388 2.611 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000890767811 713455985 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10 5 EFBERN CCNc1ccc(C(=O)N[C@@H]2CCC[C@]23CCCO3)cc1[N+](=O)[O-] ZINC000893921310 720161865 /nfs/dbraw/zinc/16/18/65/720161865.db2.gz JPIUYRPEZOSXDI-WBVHZDCISA-N 0 0 333.388 2.858 10 5 EFBERN COC(=O)[C@@H]1[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1(F)F ZINC000893945936 720178588 /nfs/dbraw/zinc/17/85/88/720178588.db2.gz OPKIRJDGHYQUCW-KGLIPLIRSA-N 0 0 340.326 2.614 10 5 EFBERN Cn1cc(COC(=O)Cc2ccc(SC3CC3)cc2)c([N+](=O)[O-])n1 ZINC000923769114 720251245 /nfs/dbraw/zinc/25/12/45/720251245.db2.gz LCLZHFRFUYBQQO-UHFFFAOYSA-N 0 0 347.396 2.869 10 5 EFBERN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000312241431 720331766 /nfs/dbraw/zinc/33/17/66/720331766.db2.gz QCESDNMPTRHEGG-RKDXNWHRSA-N 0 0 342.193 2.870 10 5 EFBERN CCO/C=C/C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000840589577 720499456 /nfs/dbraw/zinc/49/94/56/720499456.db2.gz PPVPMAQCTJSNRZ-AATRIKPKSA-N 0 0 330.134 2.951 10 5 EFBERN O=C(C[C@@H]1CCC2(CCC2)CO1)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000893304741 720529999 /nfs/dbraw/zinc/52/99/99/720529999.db2.gz HLZJCUCNCVBMIX-BLZCZZARSA-N 0 0 349.387 2.777 10 5 EFBERN CC1(C)CC[C@@H](CC(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)OC1 ZINC000893305757 720535000 /nfs/dbraw/zinc/53/50/00/720535000.db2.gz WJCNDXOQITWVJV-QRMWWUJWSA-N 0 0 337.376 2.633 10 5 EFBERN CC[C@@H](NC(=O)C(F)(F)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000162421578 720549248 /nfs/dbraw/zinc/54/92/48/720549248.db2.gz DHQDEOXVDOKDLG-GFCCVEGCSA-N 0 0 328.315 2.712 10 5 EFBERN CO[C@@]1(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCSC1 ZINC000930863750 720550169 /nfs/dbraw/zinc/55/01/69/720550169.db2.gz QLYSAOYKELAALD-OAHLLOKOSA-N 0 0 339.417 2.855 10 5 EFBERN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H](C)C1O ZINC000930997062 720632801 /nfs/dbraw/zinc/63/28/01/720632801.db2.gz WJDKRKRDWBFQNW-UWVGGRQHSA-N 0 0 343.221 2.806 10 5 EFBERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000123210028 720822246 /nfs/dbraw/zinc/82/22/46/720822246.db2.gz UVGWUOSEBRDTRJ-MRVPVSSYSA-N 0 0 327.768 2.738 10 5 EFBERN Cc1nn(CCC(=O)O[C@H](C2CC2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000123257400 720825882 /nfs/dbraw/zinc/82/58/82/720825882.db2.gz MILKUFABJKCTNL-GFCCVEGCSA-N 0 0 335.282 2.682 10 5 EFBERN C[C@H](OC(=O)CCNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000047176473 721118946 /nfs/dbraw/zinc/11/89/46/721118946.db2.gz ZQHNSVKIVAAIMU-NSHDSACASA-N 0 0 332.312 2.612 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)CCc1cc(Br)ccc1F ZINC000814036427 721190156 /nfs/dbraw/zinc/19/01/56/721190156.db2.gz XQAJHLISQWBDQC-MRVPVSSYSA-N 0 0 334.141 2.729 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)CSCc1ccc(Br)cc1 ZINC000814042460 721197579 /nfs/dbraw/zinc/19/75/79/721197579.db2.gz KZCCLYPUMLKNGS-VIFPVBQESA-N 0 0 348.218 2.891 10 5 EFBERN CC(C)(C)OC[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000928238252 722062108 /nfs/dbraw/zinc/06/21/08/722062108.db2.gz XMXSSGQCCSWUIA-CQSZACIVSA-N 0 0 336.388 2.780 10 5 EFBERN O=C(N1C[C@@H]2CSC[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000894333980 722112995 /nfs/dbraw/zinc/11/29/95/722112995.db2.gz UTAMVZNNTSXYQT-BETUJISGSA-N 0 0 332.425 2.838 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CSC[C@@H]2C1 ZINC000894336180 722120293 /nfs/dbraw/zinc/12/02/93/722120293.db2.gz GQVUIKKJTPKVHJ-AOOOYVTPSA-N 0 0 344.795 2.751 10 5 EFBERN O=C(NC[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000894401858 722708846 /nfs/dbraw/zinc/70/88/46/722708846.db2.gz KPFZGVQQNFBDON-GFCCVEGCSA-N 0 0 341.367 2.832 10 5 EFBERN Cc1cc(OCC(=O)NCC[C@@H]2CC(C)(C)CO2)ccc1[N+](=O)[O-] ZINC000894498810 722757965 /nfs/dbraw/zinc/75/79/65/722757965.db2.gz BIQZYHIVKDCUHR-CQSZACIVSA-N 0 0 336.388 2.603 10 5 EFBERN COc1cc(C(=O)NCC[C@@H]2CC(C)(C)CO2)c([N+](=O)[O-])cc1F ZINC000894493066 722758880 /nfs/dbraw/zinc/75/88/80/722758880.db2.gz IAUCMACANPGUGX-SNVBAGLBSA-N 0 0 340.351 2.678 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000894619114 722798839 /nfs/dbraw/zinc/79/88/39/722798839.db2.gz NUAWGGDSVUNWRJ-GLJUWKHASA-N 0 0 348.399 2.668 10 5 EFBERN CCc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc1[N+](=O)[O-] ZINC000894636194 722804471 /nfs/dbraw/zinc/80/44/71/722804471.db2.gz MQFMNFUICGTTCE-MRAWALMUSA-N 0 0 348.399 2.614 10 5 EFBERN CCc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc1[N+](=O)[O-] ZINC000894636195 722804547 /nfs/dbraw/zinc/80/45/47/722804547.db2.gz MQFMNFUICGTTCE-QITLCBANSA-N 0 0 348.399 2.614 10 5 EFBERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000917610425 728767691 /nfs/dbraw/zinc/76/76/91/728767691.db2.gz KTURWYHCTNZCEC-LBPRGKRZSA-N 0 0 339.779 2.834 10 5 EFBERN Cc1c(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cccc1[N+](=O)[O-] ZINC000894654621 722809432 /nfs/dbraw/zinc/80/94/32/722809432.db2.gz XUQDJRYGOUYIBP-KHSSZTOVSA-N 0 0 348.399 2.606 10 5 EFBERN Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1[N+](=O)[O-] ZINC000894654967 722809746 /nfs/dbraw/zinc/80/97/46/722809746.db2.gz YUKJAJIOEHFKEE-BWQRHGBYSA-N 0 0 348.399 2.606 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894703092 722822850 /nfs/dbraw/zinc/82/28/50/722822850.db2.gz IDIVPWJGVJEFKD-TZMCWYRMSA-N 0 0 336.413 2.714 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894704708 722823397 /nfs/dbraw/zinc/82/33/97/722823397.db2.gz KXAXPTLDOCDKHW-OCCSQVGLSA-N 0 0 334.372 2.635 10 5 EFBERN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894713713 722824017 /nfs/dbraw/zinc/82/40/17/722824017.db2.gz YJYRLUWUXSPXJZ-YMTOWFKASA-N 0 0 326.299 2.514 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894709927 722826148 /nfs/dbraw/zinc/82/61/48/722826148.db2.gz GKQPATKIXXSUFL-PXAZEXFGSA-N 0 0 343.383 2.646 10 5 EFBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894720852 722827964 /nfs/dbraw/zinc/82/79/64/722827964.db2.gz PJYPBMIWJYEFFV-LKFCYVNXSA-N 0 0 326.299 2.514 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894730810 722830117 /nfs/dbraw/zinc/83/01/17/722830117.db2.gz DTXXDFXNMYPCFX-DOMZBBRYSA-N 0 0 336.413 2.714 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000894734675 722830892 /nfs/dbraw/zinc/83/08/92/722830892.db2.gz RRCLFYPQSGFCIO-DZGCQCFKSA-N 0 0 334.372 2.635 10 5 EFBERN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCC1 ZINC000894804075 722851617 /nfs/dbraw/zinc/85/16/17/722851617.db2.gz XAGCMXRTFABURF-LLVKDONJSA-N 0 0 340.401 2.816 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000894803360 722851709 /nfs/dbraw/zinc/85/17/09/722851709.db2.gz NEYVGUWLXNYNFD-NSHDSACASA-N 0 0 326.374 2.508 10 5 EFBERN CO[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000928495485 723054418 /nfs/dbraw/zinc/05/44/18/723054418.db2.gz ZBVOWMGCYFARCZ-CYBMUJFWSA-N 0 0 330.793 2.500 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1C(F)(F)F ZINC000896082885 723128544 /nfs/dbraw/zinc/12/85/44/723128544.db2.gz STAACTIIFVHQKY-DVYJOKAKSA-N 0 0 332.278 2.829 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1C(F)(F)F ZINC000896082887 723128737 /nfs/dbraw/zinc/12/87/37/723128737.db2.gz STAACTIIFVHQKY-JQEORGNBSA-N 0 0 332.278 2.829 10 5 EFBERN CC(C)[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)N(C)C ZINC000750534364 723222450 /nfs/dbraw/zinc/22/24/50/723222450.db2.gz GCGJUXBKZJTCKC-LBPRGKRZSA-N 0 0 328.752 2.518 10 5 EFBERN CC(C)(CCc1noc([C@]2(C)OCCc3ccccc32)n1)[N+](=O)[O-] ZINC000896314453 723248593 /nfs/dbraw/zinc/24/85/93/723248593.db2.gz GBGKRGDRKGBULX-QGZVFWFLSA-N 0 0 331.372 2.894 10 5 EFBERN Cc1cn(C(C)(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000896508822 723331392 /nfs/dbraw/zinc/33/13/92/723331392.db2.gz JKGIMBOOXUFUIW-UHFFFAOYSA-N 0 0 344.415 2.974 10 5 EFBERN C[C@@H]1CO[C@@H](C)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930003178 728813076 /nfs/dbraw/zinc/81/30/76/728813076.db2.gz PTWPOIUERLBTHT-MNOVXSKESA-N 0 0 326.780 2.817 10 5 EFBERN Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000064244328 728813210 /nfs/dbraw/zinc/81/32/10/728813210.db2.gz ZSCKCKQMVNRFHN-UHFFFAOYSA-N 0 0 344.326 2.641 10 5 EFBERN Cc1c(COC(=O)[C@@H]2CCCN2C(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000917986605 728814137 /nfs/dbraw/zinc/81/41/37/728814137.db2.gz RIWIGYUNXZSLPP-HNNXBMFYSA-N 0 0 334.372 2.593 10 5 EFBERN Cc1cccc(NC(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000126911309 723430280 /nfs/dbraw/zinc/43/02/80/723430280.db2.gz SXQHBSLYSDJPLX-UHFFFAOYSA-N 0 0 332.287 2.838 10 5 EFBERN CC(C)(O)[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000721820919 723447996 /nfs/dbraw/zinc/44/79/96/723447996.db2.gz FHWUXEQYXZEDQQ-NSHDSACASA-N 0 0 343.221 2.950 10 5 EFBERN CC(C)c1nsc(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)n1 ZINC000918049392 728827263 /nfs/dbraw/zinc/82/72/63/728827263.db2.gz OWDAISJWAPADNE-UHFFFAOYSA-N 0 0 330.373 2.877 10 5 EFBERN O=[N+]([O-])c1cn(C[C@@H]2CC[C@H](C(F)(F)F)O2)nc1-c1ccccn1 ZINC000918048957 728827312 /nfs/dbraw/zinc/82/73/12/728827312.db2.gz HKJXBEMGNNPUPK-JOYOIKCWSA-N 0 0 342.277 2.963 10 5 EFBERN Cn1c2ccccc2c(N[C@@H]2CCC[C@]23CCCO3)c([N+](=O)[O-])c1=O ZINC000895166590 723513978 /nfs/dbraw/zinc/51/39/78/723513978.db2.gz QMRXYSOIOBTSFN-KDOFPFPSSA-N 0 0 343.383 2.960 10 5 EFBERN Cn1nccc1-c1noc(C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000896853977 723548143 /nfs/dbraw/zinc/54/81/43/723548143.db2.gz SCUWWEBQSSNKSJ-UHFFFAOYSA-N 0 0 325.328 2.848 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000728201002 723845522 /nfs/dbraw/zinc/84/55/22/723845522.db2.gz AAZPTPPNRMSKGW-MGPQQGTHSA-N 0 0 331.416 2.850 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000728201003 723845525 /nfs/dbraw/zinc/84/55/25/723845525.db2.gz AAZPTPPNRMSKGW-MJBXVCDLSA-N 0 0 331.416 2.850 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)N1CCc2ccccc21 ZINC000728201373 723845957 /nfs/dbraw/zinc/84/59/57/723845957.db2.gz IAKUTQNXVZSVOW-CYBMUJFWSA-N 0 0 337.379 2.935 10 5 EFBERN COc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000728202152 723846150 /nfs/dbraw/zinc/84/61/50/723846150.db2.gz SXGDXLOSJJTNIS-GFCCVEGCSA-N 0 0 341.367 2.993 10 5 EFBERN O=C(N[C@@H](c1ncccn1)C1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000928584229 723881937 /nfs/dbraw/zinc/88/19/37/723881937.db2.gz CWMHMFMZTFFEGS-CYBMUJFWSA-N 0 0 332.747 2.919 10 5 EFBERN COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3c4ccccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000897014726 723945587 /nfs/dbraw/zinc/94/55/87/723945587.db2.gz RZIHAOBDYHODLA-OICBVUGWSA-N 0 0 341.367 2.565 10 5 EFBERN C[C@H](CNC(=O)N1CCO[C@@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897056358 723970871 /nfs/dbraw/zinc/97/08/71/723970871.db2.gz VCLAECOGCIUJQP-UHOFOFEASA-N 0 0 333.388 2.661 10 5 EFBERN O=C(OCc1csc([N+](=O)[O-])c1)c1csc(-c2cnccn2)n1 ZINC000728383482 723991449 /nfs/dbraw/zinc/99/14/49/723991449.db2.gz UDILDMSOATTWGD-UHFFFAOYSA-N 0 0 348.365 2.927 10 5 EFBERN Cn1c(-c2nc(C[C@@H]3COc4ccccc43)no2)ccc1[N+](=O)[O-] ZINC000897098334 724021874 /nfs/dbraw/zinc/02/18/74/724021874.db2.gz XMFZFPUFBAVKGL-SNVBAGLBSA-N 0 0 326.312 2.702 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EFBERN Cc1cccc(CONC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC001647931144 1089912069 /nfs/dbraw/zinc/91/20/69/1089912069.db2.gz RMBMXVNAGONIKA-UHFFFAOYSA-N 0 0 326.312 2.641 10 5 EFBERN CC(C)Oc1cc(C(=O)Nc2ncccc2CO)ccc1[N+](=O)[O-] ZINC001648153803 1089950735 /nfs/dbraw/zinc/95/07/35/1089950735.db2.gz VGAQTKSUCHWVRY-UHFFFAOYSA-N 0 0 331.328 2.522 10 5 EFBERN O=C(CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC001648238624 1089965331 /nfs/dbraw/zinc/96/53/31/1089965331.db2.gz MSJMBDRLVDTVFB-UHFFFAOYSA-N 0 0 338.241 2.625 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCCC2=O ZINC001648247028 1089968757 /nfs/dbraw/zinc/96/87/57/1089968757.db2.gz ZFBOPGIOVKLSCY-UHFFFAOYSA-N 0 0 346.368 2.864 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1F ZINC001648295054 1089971895 /nfs/dbraw/zinc/97/18/95/1089971895.db2.gz BPGHEGBOPIIEIW-UHFFFAOYSA-N 0 0 347.302 2.663 10 5 EFBERN COCCOc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001648295298 1089972110 /nfs/dbraw/zinc/97/21/10/1089972110.db2.gz HOHNGERVJGDCJH-UHFFFAOYSA-N 0 0 345.355 2.763 10 5 EFBERN Cc1ccc(NC(=O)c2ccc3c(c2)COC(=O)N3)c(N)c1[N+](=O)[O-] ZINC001648298760 1089976671 /nfs/dbraw/zinc/97/66/71/1089976671.db2.gz KAIGBQWPWITXLL-UHFFFAOYSA-N 0 0 342.311 2.800 10 5 EFBERN O=C(/C=C\C=C(Cl)Cl)NCCNc1ccccc1[N+](=O)[O-] ZINC001587373450 1091433609 /nfs/dbraw/zinc/43/36/09/1091433609.db2.gz LXFKUARGISDDOD-CLTKARDFSA-N 0 0 330.171 2.998 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(F)cc1C(N)=O ZINC001583051958 1091887381 /nfs/dbraw/zinc/88/73/81/1091887381.db2.gz DWGTXCPKKDZOQS-UHFFFAOYSA-N 0 0 349.293 2.841 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nccc2ccc(C)cc21 ZINC001583069680 1091891878 /nfs/dbraw/zinc/89/18/78/1091891878.db2.gz LMUIWLMSCPGWLD-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN C[C@@H]1CCCCN1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001583077628 1091893953 /nfs/dbraw/zinc/89/39/53/1091893953.db2.gz RKHDNIJSLGAIBE-LLVKDONJSA-N 0 0 328.372 2.849 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H](O)C1CCCCCCC1 ZINC001583087381 1091896933 /nfs/dbraw/zinc/89/69/33/1091896933.db2.gz GGOYDJBRFYASNU-QGZVFWFLSA-N 0 0 334.416 2.975 10 5 EFBERN O=C(NCc1cccc2[nH]ccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001583175895 1091919107 /nfs/dbraw/zinc/91/91/07/1091919107.db2.gz YXXRHTAFONGJNM-UHFFFAOYSA-N 0 0 335.323 2.882 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2noc3cc(F)ccc23)n1 ZINC001583181887 1091922807 /nfs/dbraw/zinc/92/28/07/1091922807.db2.gz PCNKHITVKGQTJB-UHFFFAOYSA-N 0 0 330.275 2.509 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001583230815 1091938856 /nfs/dbraw/zinc/93/88/56/1091938856.db2.gz CPNDSSISYZKSQR-ZDUSSCGKSA-N 0 0 349.730 2.594 10 5 EFBERN CCCCCCO[C@@H](C)C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001583231182 1091938937 /nfs/dbraw/zinc/93/89/37/1091938937.db2.gz KSARBPRQVYUDPH-NSHDSACASA-N 0 0 325.365 2.922 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001583231690 1091939621 /nfs/dbraw/zinc/93/96/21/1091939621.db2.gz TUSMHNDOXSRLQA-AWEZNQCLSA-N 0 0 342.355 2.606 10 5 EFBERN COc1ccc(NC(=O)C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001583289154 1091953212 /nfs/dbraw/zinc/95/32/12/1091953212.db2.gz HZNJBZUMNGVLBL-GFCCVEGCSA-N 0 0 344.323 2.772 10 5 EFBERN Cc1c(C(=O)N2CCC=C(Cl)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001583337116 1091970526 /nfs/dbraw/zinc/97/05/26/1091970526.db2.gz YHSWNEPATMACRO-UHFFFAOYSA-N 0 0 325.708 2.780 10 5 EFBERN C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001583394920 1091988722 /nfs/dbraw/zinc/98/87/22/1091988722.db2.gz ZAVQCQKCNPPQTA-STQMWFEESA-N 0 0 349.431 2.787 10 5 EFBERN COc1ccnc(OC)c1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001583446404 1092002383 /nfs/dbraw/zinc/00/23/83/1092002383.db2.gz QUCOOYPVLSYBMS-QWHCGFSZSA-N 0 0 343.339 2.749 10 5 EFBERN CCCCOc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001583452538 1092005131 /nfs/dbraw/zinc/00/51/31/1092005131.db2.gz VREFDLDFKZATEX-UHFFFAOYSA-N 0 0 344.371 2.681 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2ccsc2n1 ZINC001583452256 1092005502 /nfs/dbraw/zinc/00/55/02/1092005502.db2.gz RTVQXNHNAOWCLP-UHFFFAOYSA-N 0 0 346.368 2.633 10 5 EFBERN CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001583567267 1092040870 /nfs/dbraw/zinc/04/08/70/1092040870.db2.gz ASZXKPUJZAMMKG-ZPPKWKGLSA-N 0 0 338.385 2.603 10 5 EFBERN CCC[C@@H](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001583615906 1092048827 /nfs/dbraw/zinc/04/88/27/1092048827.db2.gz OCSCQIULISUEHN-CQSZACIVSA-N 0 0 349.431 2.988 10 5 EFBERN CCOc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)CC2 ZINC001583613871 1092049499 /nfs/dbraw/zinc/04/94/99/1092049499.db2.gz RYNVUPNETBSDTJ-UHFFFAOYSA-N 0 0 341.367 2.895 10 5 EFBERN O=C(N[C@H]1CCC2(C1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001583671905 1092055936 /nfs/dbraw/zinc/05/59/36/1092055936.db2.gz HLWGZTOIDBGKNB-NSHDSACASA-N 0 0 348.380 2.835 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@H]2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC001583676846 1092057408 /nfs/dbraw/zinc/05/74/08/1092057408.db2.gz FERFUWKXOWGQOI-CYBMUJFWSA-N 0 0 334.372 2.744 10 5 EFBERN O=C(Nc1ccc(OC(F)F)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC001583698551 1092058952 /nfs/dbraw/zinc/05/89/52/1092058952.db2.gz SFXGADDZWWILOB-UHFFFAOYSA-N 0 0 327.218 2.983 10 5 EFBERN CCOc1ccc(C(=O)N2CCc3cc(F)cnc32)cc1[N+](=O)[O-] ZINC001583707214 1092059871 /nfs/dbraw/zinc/05/98/71/1092059871.db2.gz KNEGEZJLRNDNCB-UHFFFAOYSA-N 0 0 331.303 2.731 10 5 EFBERN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1c(F)ccnc1F ZINC001584046413 1092103150 /nfs/dbraw/zinc/10/31/50/1092103150.db2.gz GWLHAKJZVFJFIC-UHFFFAOYSA-N 0 0 325.296 2.999 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC001584052334 1092103202 /nfs/dbraw/zinc/10/32/02/1092103202.db2.gz FTGGNQDCDQQUMV-UHFFFAOYSA-N 0 0 339.307 2.697 10 5 EFBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1ccc([N+](=O)[O-])cc1F ZINC001584056142 1092104629 /nfs/dbraw/zinc/10/46/29/1092104629.db2.gz ZJWXHSYCYRIZIR-UHFFFAOYSA-N 0 0 327.271 2.828 10 5 EFBERN O=C(NCCN1CCc2ccccc21)c1cc(F)c([N+](=O)[O-])cc1F ZINC001584079103 1092107279 /nfs/dbraw/zinc/10/72/79/1092107279.db2.gz OAQCKAWFRLVSMM-UHFFFAOYSA-N 0 0 347.321 2.666 10 5 EFBERN C[C@@H](NC(=O)c1ncoc1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001584212520 1092127827 /nfs/dbraw/zinc/12/78/27/1092127827.db2.gz DAPCMQQSXJIUJL-MFKMUULPSA-N 0 0 331.328 2.925 10 5 EFBERN C[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001584213558 1092128261 /nfs/dbraw/zinc/12/82/61/1092128261.db2.gz VPVFFFGDZHJSBM-LLVKDONJSA-N 0 0 342.355 2.665 10 5 EFBERN CCCN1C[C@@H](C(=O)O[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001584250087 1092132438 /nfs/dbraw/zinc/13/24/38/1092132438.db2.gz JKKPVXUYTMIYMF-DZGCQCFKSA-N 0 0 334.372 2.848 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC(=O)N2 ZINC001584268333 1092134799 /nfs/dbraw/zinc/13/47/99/1092134799.db2.gz QDWYHMIIIOLATF-UHFFFAOYSA-N 0 0 341.323 2.795 10 5 EFBERN C[C@H](NC(=O)CCc1ccccc1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC001584295279 1092141168 /nfs/dbraw/zinc/14/11/68/1092141168.db2.gz ZRINKCBKXLXKFG-LBPRGKRZSA-N 0 0 341.367 2.504 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[C@@H]1C[C@H]1C1CC1 ZINC001584348881 1092148036 /nfs/dbraw/zinc/14/80/36/1092148036.db2.gz PVGPMBQSEDORJO-HIFRSBDPSA-N 0 0 347.371 2.988 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCOc2ccccc21 ZINC001584351743 1092150156 /nfs/dbraw/zinc/15/01/56/1092150156.db2.gz HNICSCUWCGJTEJ-HNNXBMFYSA-N 0 0 327.340 2.821 10 5 EFBERN Cn1cnc2cc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc21 ZINC001584457388 1092178099 /nfs/dbraw/zinc/17/80/99/1092178099.db2.gz ZRVLFIRIMBPUCK-UHFFFAOYSA-N 0 0 328.303 2.551 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)n1 ZINC001584495940 1092184198 /nfs/dbraw/zinc/18/41/98/1092184198.db2.gz IHNMQOBXUQPJQN-CQSZACIVSA-N 0 0 343.387 2.883 10 5 EFBERN COc1ccc(CC(=O)N(C)c2cccc(Cl)n2)cc1[N+](=O)[O-] ZINC001584507542 1092184978 /nfs/dbraw/zinc/18/49/78/1092184978.db2.gz VNEJARNKKGXFPK-UHFFFAOYSA-N 0 0 335.747 2.857 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(C)cccn12 ZINC001584510672 1092186098 /nfs/dbraw/zinc/18/60/98/1092186098.db2.gz GRPOQESBBWIYMJ-UHFFFAOYSA-N 0 0 325.328 2.845 10 5 EFBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H](C)C2 ZINC001584551060 1092203292 /nfs/dbraw/zinc/20/32/92/1092203292.db2.gz VUDLIYQKJHZIIK-BMIGLBTASA-N 0 0 326.356 2.544 10 5 EFBERN COc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC001584559614 1092206009 /nfs/dbraw/zinc/20/60/09/1092206009.db2.gz STVUHMLLDPFGOY-UHFFFAOYSA-N 0 0 337.719 2.669 10 5 EFBERN CC(F)(F)CN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001648433501 1092216639 /nfs/dbraw/zinc/21/66/39/1092216639.db2.gz KSPGMXYOTAQFGJ-UHFFFAOYSA-N 0 0 335.301 2.646 10 5 EFBERN Cc1ncccc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001648439942 1092217614 /nfs/dbraw/zinc/21/76/14/1092217614.db2.gz RUKGKYAXYAGLMZ-UHFFFAOYSA-N 0 0 327.340 2.578 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccc3ccccc3n2)n1 ZINC001648474798 1092222099 /nfs/dbraw/zinc/22/20/99/1092222099.db2.gz SBCVYJCTOHQLOI-UHFFFAOYSA-N 0 0 336.351 2.819 10 5 EFBERN CCOC(=O)C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001584621978 1092221983 /nfs/dbraw/zinc/22/19/83/1092221983.db2.gz QZHFSXKNARGFER-UHFFFAOYSA-N 0 0 331.328 2.671 10 5 EFBERN Cc1cc(NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001584644662 1092231988 /nfs/dbraw/zinc/23/19/88/1092231988.db2.gz NXPYBNUDXSHUGR-UWCDFFNFSA-N 0 0 343.383 2.871 10 5 EFBERN Cc1ccn(C[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC001584644961 1092232056 /nfs/dbraw/zinc/23/20/56/1092232056.db2.gz QMXLOTTZSWTROX-NSHDSACASA-N 0 0 339.355 2.923 10 5 EFBERN CN(C(=O)CN1CCO[C@H](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001648654378 1092246321 /nfs/dbraw/zinc/24/63/21/1092246321.db2.gz OJPRSNSPETYDBO-INIZCTEOSA-N 0 0 349.431 2.695 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccc[nH]1 ZINC001648694223 1092256394 /nfs/dbraw/zinc/25/63/94/1092256394.db2.gz KCNBQGJHTJWTBW-SSDOTTSWSA-N 0 0 339.149 2.571 10 5 EFBERN Nc1c(C(=O)NCc2ccns2)cc2ccccc2c1[N+](=O)[O-] ZINC001584765745 1092276632 /nfs/dbraw/zinc/27/66/32/1092276632.db2.gz PRJWRJZKAGSQRS-UHFFFAOYSA-N 0 0 328.353 2.717 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001584776638 1092281583 /nfs/dbraw/zinc/28/15/83/1092281583.db2.gz OYZVOGRKYWMYRI-UHFFFAOYSA-N 0 0 339.279 2.533 10 5 EFBERN CNC(=O)c1cccc(N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001584790022 1092286211 /nfs/dbraw/zinc/28/62/11/1092286211.db2.gz XEPLYLNKOOZVEH-UHFFFAOYSA-N 0 0 345.330 2.679 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC001584796016 1092287869 /nfs/dbraw/zinc/28/78/69/1092287869.db2.gz MHJUTBJKXJPPEW-UHFFFAOYSA-N 0 0 328.328 2.530 10 5 EFBERN O=C(Nc1nccc2cc[nH]c21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001584834335 1092302014 /nfs/dbraw/zinc/30/20/14/1092302014.db2.gz YXOMFFSVDZJZPB-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001584835677 1092302169 /nfs/dbraw/zinc/30/21/69/1092302169.db2.gz BJFKVBDNDUNRFI-UHFFFAOYSA-N 0 0 340.335 2.974 10 5 EFBERN CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001584851097 1092307922 /nfs/dbraw/zinc/30/79/22/1092307922.db2.gz FFIVXPHARWYOQZ-UHFFFAOYSA-N 0 0 339.760 2.922 10 5 EFBERN CN1Cc2c(cccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC001584908808 1092322357 /nfs/dbraw/zinc/32/23/57/1092322357.db2.gz GCTOPZIIHGCVED-UHFFFAOYSA-N 0 0 339.351 2.752 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000588482458 1092330197 /nfs/dbraw/zinc/33/01/97/1092330197.db2.gz MIASKWVESJFHIT-HZRUHFOJSA-N 0 0 346.339 2.910 10 5 EFBERN C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001584981730 1092344388 /nfs/dbraw/zinc/34/43/88/1092344388.db2.gz WTVANYJTWJHSLB-NWDGAFQWSA-N 0 0 341.795 2.556 10 5 EFBERN COc1ccc(OC(=O)[C@@H]2Cc3cccc(C)c3O2)cc1[N+](=O)[O-] ZINC001584978675 1092344716 /nfs/dbraw/zinc/34/47/16/1092344716.db2.gz VUGBGPXAIYSQQU-HNNXBMFYSA-N 0 0 329.308 2.821 10 5 EFBERN COC(=O)c1ncccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001584993040 1092347883 /nfs/dbraw/zinc/34/78/83/1092347883.db2.gz SIWFQSLISCFLMW-OLZOCXBDSA-N 0 0 341.323 2.519 10 5 EFBERN Cc1c(CNC(=O)c2coc(=O)c3ccccc23)cccc1[N+](=O)[O-] ZINC001585016163 1092351750 /nfs/dbraw/zinc/35/17/50/1092351750.db2.gz RFYQNBJDMLKTAY-UHFFFAOYSA-N 0 0 338.319 2.940 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C)cc1C ZINC001585156729 1092384780 /nfs/dbraw/zinc/38/47/80/1092384780.db2.gz CDKNXQZBDXWOGF-UHFFFAOYSA-N 0 0 343.339 2.954 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)n1 ZINC001585151833 1092385626 /nfs/dbraw/zinc/38/56/26/1092385626.db2.gz JEXFMIAMWOPRPV-CQSZACIVSA-N 0 0 340.339 2.502 10 5 EFBERN CCOC(=O)c1noc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1C ZINC001585243098 1092417580 /nfs/dbraw/zinc/41/75/80/1092417580.db2.gz BQZYXUZNMBGVDG-UHFFFAOYSA-N 0 0 333.300 2.629 10 5 EFBERN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c2c1CCC2 ZINC001585248982 1092421741 /nfs/dbraw/zinc/42/17/41/1092421741.db2.gz LNGWJWKHSHIOOL-UHFFFAOYSA-N 0 0 339.351 2.743 10 5 EFBERN Cc1ccncc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001585346472 1092455793 /nfs/dbraw/zinc/45/57/93/1092455793.db2.gz JZFFOJGRXITQFE-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001585345852 1092456395 /nfs/dbraw/zinc/45/63/95/1092456395.db2.gz NDPXJBKLVUZITD-IUIKQTSFSA-N 0 0 345.305 2.523 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(F)cc1F ZINC001585380633 1092466843 /nfs/dbraw/zinc/46/68/43/1092466843.db2.gz MFVFLWKLZUHEMP-ILNGBFOMSA-N 0 0 348.305 2.736 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)c1ccc(F)cc1F ZINC001585381459 1092467621 /nfs/dbraw/zinc/46/76/21/1092467621.db2.gz YFVMPSPKIWSHGK-OAHLLOKOSA-N 0 0 336.294 2.645 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1CC1(C)C ZINC001585399726 1092472155 /nfs/dbraw/zinc/47/21/55/1092472155.db2.gz SWERGUUGJNRBCS-CHWSQXEVSA-N 0 0 334.372 2.921 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1CC1(C)C ZINC001585399728 1092472906 /nfs/dbraw/zinc/47/29/06/1092472906.db2.gz SWERGUUGJNRBCS-QWHCGFSZSA-N 0 0 334.372 2.921 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCO)c1ccco1 ZINC000588488822 1092474189 /nfs/dbraw/zinc/47/41/89/1092474189.db2.gz SPWDHVAZHGMASK-AYJWMTRPSA-N 0 0 330.340 2.831 10 5 EFBERN COc1ccc(C(=O)NCc2c(F)cccc2OC)cc1[N+](=O)[O-] ZINC001585420074 1092480091 /nfs/dbraw/zinc/48/00/91/1092480091.db2.gz JEVAKSFJJYSVCO-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN Cc1cc(C)c(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)o1 ZINC001585437663 1092486265 /nfs/dbraw/zinc/48/62/65/1092486265.db2.gz KMXRUHNYKHISGK-NSHDSACASA-N 0 0 330.340 2.698 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC001585523121 1092510827 /nfs/dbraw/zinc/51/08/27/1092510827.db2.gz AAQDZKTZAZAYEC-UHFFFAOYSA-N 0 0 344.323 2.707 10 5 EFBERN CCOC(=O)c1nc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)oc1C ZINC001585528064 1092512381 /nfs/dbraw/zinc/51/23/81/1092512381.db2.gz WNIREVBWKGFLJN-UHFFFAOYSA-N 0 0 347.327 2.883 10 5 EFBERN Cc1noc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)n1 ZINC001585567726 1092519609 /nfs/dbraw/zinc/51/96/09/1092519609.db2.gz INLATFBYVXELBB-UHFFFAOYSA-N 0 0 339.311 2.524 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H](Cc1cccnc1)C1CCCC1 ZINC001585617101 1092524609 /nfs/dbraw/zinc/52/46/09/1092524609.db2.gz NEHSQUKKKOUGTG-CQSZACIVSA-N 0 0 343.387 2.711 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001649492386 1092533525 /nfs/dbraw/zinc/53/35/25/1092533525.db2.gz ZRNUQVAOZHNEQV-MRXNPFEDSA-N 0 0 339.351 2.532 10 5 EFBERN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)Oc1ccccc1Br ZINC001349806119 1092571480 /nfs/dbraw/zinc/57/14/80/1092571480.db2.gz RTHMKTGAPNZCGX-UWVGGRQHSA-N 0 0 346.177 2.815 10 5 EFBERN Cn1cc(Cl)c(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001585846679 1092595542 /nfs/dbraw/zinc/59/55/42/1092595542.db2.gz FKPJBDJKZRRVDP-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnn([C@@H]2CCCCO2)c1 ZINC001585850371 1092596796 /nfs/dbraw/zinc/59/67/96/1092596796.db2.gz DECGSNVZYZNNDA-INIZCTEOSA-N 0 0 345.359 2.541 10 5 EFBERN C[C@@H](Cc1cnn(C)c1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585847865 1092596809 /nfs/dbraw/zinc/59/68/09/1092596809.db2.gz SIGDISBMGFUYQG-NSHDSACASA-N 0 0 339.355 2.694 10 5 EFBERN Cn1ncc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1Cl ZINC001585911136 1092618119 /nfs/dbraw/zinc/61/81/19/1092618119.db2.gz VEVRLWGYRWTESW-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN CCOc1cc(NC(=O)[C@@H]2CCCCN2C(=O)CC)ccc1[N+](=O)[O-] ZINC001585927507 1092623400 /nfs/dbraw/zinc/62/34/00/1092623400.db2.gz ZBGRPCTYESHDAY-AWEZNQCLSA-N 0 0 349.387 2.723 10 5 EFBERN Nc1ncc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1[N+](=O)[O-] ZINC001585932555 1092623817 /nfs/dbraw/zinc/62/38/17/1092623817.db2.gz OFKPSCPKPDOLDO-UHFFFAOYSA-N 0 0 328.328 2.613 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1C ZINC001585986824 1092644245 /nfs/dbraw/zinc/64/42/45/1092644245.db2.gz VSGKSYWISGQMFK-UHFFFAOYSA-N 0 0 330.300 2.791 10 5 EFBERN CC(=O)c1ccc(CC(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001586035707 1092661718 /nfs/dbraw/zinc/66/17/18/1092661718.db2.gz NQMLTICZVCREHJ-UHFFFAOYSA-N 0 0 344.279 2.854 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn2nccc2n1 ZINC001586042331 1092664526 /nfs/dbraw/zinc/66/45/26/1092664526.db2.gz ORTDZAJBUQOVEI-UHFFFAOYSA-N 0 0 329.341 2.612 10 5 EFBERN COc1cccc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)n1 ZINC001586075007 1092672351 /nfs/dbraw/zinc/67/23/51/1092672351.db2.gz IKCLWEJEQKGWTP-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(OC)c1C ZINC001586148294 1092691446 /nfs/dbraw/zinc/69/14/46/1092691446.db2.gz RPSJOCCPAAQQJP-UHFFFAOYSA-N 0 0 331.328 2.958 10 5 EFBERN CC(C)n1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cn1 ZINC001586162825 1092698945 /nfs/dbraw/zinc/69/89/45/1092698945.db2.gz UQJKZXDDACWBDK-UHFFFAOYSA-N 0 0 346.343 2.786 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCc2c1cccc2O ZINC001586164101 1092700013 /nfs/dbraw/zinc/70/00/13/1092700013.db2.gz FGAPPNOULAJXQS-CQSZACIVSA-N 0 0 330.315 2.786 10 5 EFBERN O=C(Nc1cnn2ccccc12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001586207360 1092709547 /nfs/dbraw/zinc/70/95/47/1092709547.db2.gz VZYWHHYVZRPNCQ-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC001586207343 1092709997 /nfs/dbraw/zinc/70/99/97/1092709997.db2.gz UZMZFJMWYJPAFK-UHFFFAOYSA-N 0 0 341.283 2.711 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1cnn(-c2ccccc2)c1 ZINC001586330754 1092724154 /nfs/dbraw/zinc/72/41/54/1092724154.db2.gz LEWLTXJOGVWTJM-UHFFFAOYSA-N 0 0 339.307 2.765 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)COC(=O)N2 ZINC001586356591 1092726334 /nfs/dbraw/zinc/72/63/34/1092726334.db2.gz TXTNMLPLJLBMLT-UHFFFAOYSA-N 0 0 327.296 2.838 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)COC(=O)N2 ZINC001586356144 1092726418 /nfs/dbraw/zinc/72/64/18/1092726418.db2.gz KYEBFBCEVJAKAM-UHFFFAOYSA-N 0 0 327.296 2.838 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(C(F)(F)F)nn1 ZINC001586359127 1092727952 /nfs/dbraw/zinc/72/79/52/1092727952.db2.gz YPQQXVCASBTJNK-UHFFFAOYSA-N 0 0 340.261 2.989 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001586436956 1092734887 /nfs/dbraw/zinc/73/48/87/1092734887.db2.gz WLKUOMOORIACBV-HUUCEWRRSA-N 0 0 344.371 2.645 10 5 EFBERN COCOc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001586449385 1092735778 /nfs/dbraw/zinc/73/57/78/1092735778.db2.gz WUHRMGPWKACHMK-UHFFFAOYSA-N 0 0 346.339 2.985 10 5 EFBERN Cc1cc(NC(=O)CCNC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001586464172 1092736925 /nfs/dbraw/zinc/73/69/25/1092736925.db2.gz WUMYGCHFIXIFRC-UHFFFAOYSA-N 0 0 341.367 2.591 10 5 EFBERN CSc1ccnc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC001586647158 1092748702 /nfs/dbraw/zinc/74/87/02/1092748702.db2.gz UNWBSZZLANSKAR-UHFFFAOYSA-N 0 0 336.348 2.817 10 5 EFBERN CCOCCO[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001586719421 1092754876 /nfs/dbraw/zinc/75/48/76/1092754876.db2.gz CWTFWBJCNSHVOT-LLVKDONJSA-N 0 0 333.344 2.523 10 5 EFBERN COC(=O)c1cc(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC001586740094 1092755472 /nfs/dbraw/zinc/75/54/72/1092755472.db2.gz OTYIGUOCURIXHB-GXTWGEPZSA-N 0 0 334.372 2.936 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Nc2ccccc2)cn1 ZINC001586744075 1092755873 /nfs/dbraw/zinc/75/58/73/1092755873.db2.gz TWGQLVFSTNSRNK-UHFFFAOYSA-N 0 0 338.327 2.569 10 5 EFBERN CC(C)(C)C[C@@H](O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001586750830 1092756602 /nfs/dbraw/zinc/75/66/02/1092756602.db2.gz KDPPIIUPOOADEH-LLVKDONJSA-N 0 0 328.796 2.704 10 5 EFBERN Cc1ncccc1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001586752223 1092756874 /nfs/dbraw/zinc/75/68/74/1092756874.db2.gz LLJYDLHFHMRXDJ-UHFFFAOYSA-N 0 0 338.726 2.603 10 5 EFBERN COC(=O)c1cc(NC(=O)c2cc3c[nH]ccc-3n2)cc([N+](=O)[O-])c1 ZINC001586795727 1092759214 /nfs/dbraw/zinc/75/92/14/1092759214.db2.gz SBQDQIWUIAIHRP-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN C[C@@H](O)CC(C)(C)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001586894314 1092767241 /nfs/dbraw/zinc/76/72/41/1092767241.db2.gz LTMQYDSDODJKLN-SNVBAGLBSA-N 0 0 328.796 2.704 10 5 EFBERN CCS[C@H]1CC[C@H](N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001586919294 1092768621 /nfs/dbraw/zinc/76/86/21/1092768621.db2.gz COGPOIBSDJCGQF-YUMQZZPRSA-N 0 0 332.813 2.718 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](c2ccccc2)CO1 ZINC001586938567 1092770435 /nfs/dbraw/zinc/77/04/35/1092770435.db2.gz NPAQKAXBZMMEKS-YVEFUNNKSA-N 0 0 341.367 2.779 10 5 EFBERN CC(C)CC(=O)NCCC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001586994813 1092775618 /nfs/dbraw/zinc/77/56/18/1092775618.db2.gz FKAPHKRATWULAF-UHFFFAOYSA-N 0 0 344.371 2.634 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(c3ccccn3)CCC2)n1 ZINC001587022013 1092776614 /nfs/dbraw/zinc/77/66/14/1092776614.db2.gz VMOZAPUHXQPISC-UHFFFAOYSA-N 0 0 326.356 2.545 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001587015853 1092776848 /nfs/dbraw/zinc/77/68/48/1092776848.db2.gz KBCLXEVHCNDBAB-CYBMUJFWSA-N 0 0 345.742 2.541 10 5 EFBERN Cc1cnc2c(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cnn2c1 ZINC001587038035 1092777816 /nfs/dbraw/zinc/77/78/16/1092777816.db2.gz XXYLHNUELXWHKX-LBPRGKRZSA-N 0 0 339.355 2.745 10 5 EFBERN Cn1nncc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001587121431 1092784665 /nfs/dbraw/zinc/78/46/65/1092784665.db2.gz FMKAOZAAQNUOHO-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnnn1C ZINC001587121916 1092785055 /nfs/dbraw/zinc/78/50/55/1092785055.db2.gz ZUNFGDDYQCTUHA-UHFFFAOYSA-N 0 0 335.389 2.868 10 5 EFBERN Cc1cccc2c1O[C@@H](C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001587143944 1092785534 /nfs/dbraw/zinc/78/55/34/1092785534.db2.gz MOUWOOGUOWANBN-CQSZACIVSA-N 0 0 344.279 2.721 10 5 EFBERN CC(C)(C)c1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001587227858 1092792346 /nfs/dbraw/zinc/79/23/46/1092792346.db2.gz ZQNMSKYYIUGLJA-UHFFFAOYSA-N 0 0 344.371 2.505 10 5 EFBERN CC1(C)CCC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC001587236697 1092793383 /nfs/dbraw/zinc/79/33/83/1092793383.db2.gz YINYZBABIMGFMY-QGZVFWFLSA-N 0 0 335.404 2.628 10 5 EFBERN Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(N(C)C)nn1 ZINC001587270011 1092797258 /nfs/dbraw/zinc/79/72/58/1092797258.db2.gz RPEMVZJPMOJIFR-UHFFFAOYSA-N 0 0 335.751 2.665 10 5 EFBERN O=C(N[C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC001587320950 1092799640 /nfs/dbraw/zinc/79/96/40/1092799640.db2.gz NOLZXWYFONJKKP-NSHDSACASA-N 0 0 342.710 2.834 10 5 EFBERN Cc1oc(-c2ccsc2)nc1CC(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001587347795 1092804884 /nfs/dbraw/zinc/80/48/84/1092804884.db2.gz BCGVXTMCDRFWOC-UHFFFAOYSA-N 0 0 347.356 2.534 10 5 EFBERN C[C@@H](CC1CCC1)NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001587370678 1092806742 /nfs/dbraw/zinc/80/67/42/1092806742.db2.gz GVZYOXBCADHIOS-LBPRGKRZSA-N 0 0 343.387 2.543 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001587376909 1092807744 /nfs/dbraw/zinc/80/77/44/1092807744.db2.gz MXVXAXVVCSSEON-UHFFFAOYSA-N 0 0 342.233 2.624 10 5 EFBERN COc1ccc(C)nc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001587421214 1092810639 /nfs/dbraw/zinc/81/06/39/1092810639.db2.gz CRODPMYKANRGMV-UHFFFAOYSA-N 0 0 336.735 2.795 10 5 EFBERN COCc1csc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC001587505030 1092817393 /nfs/dbraw/zinc/81/73/93/1092817393.db2.gz PBFBJEWUALYAJB-UHFFFAOYSA-N 0 0 346.368 2.609 10 5 EFBERN CCCOc1ccc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC001587518544 1092817586 /nfs/dbraw/zinc/81/75/86/1092817586.db2.gz WWRBFAXNGUZUTM-UHFFFAOYSA-N 0 0 348.359 2.536 10 5 EFBERN CN(CC(=O)NC1(CO)CCCCCCC1)c1ccccc1[N+](=O)[O-] ZINC001587636173 1092834333 /nfs/dbraw/zinc/83/43/33/1092834333.db2.gz IWSAZOXBOPXCEG-UHFFFAOYSA-N 0 0 349.431 2.623 10 5 EFBERN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001587646612 1092835370 /nfs/dbraw/zinc/83/53/70/1092835370.db2.gz CHRKCXMIJZCOSN-GXTWGEPZSA-N 0 0 340.383 2.665 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCn1ccc2ccccc21 ZINC001587687096 1092840144 /nfs/dbraw/zinc/84/01/44/1092840144.db2.gz XHGSQCNCLARTNX-UHFFFAOYSA-N 0 0 338.367 2.952 10 5 EFBERN COC(=O)[C@@](C)(NC(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001587673343 1092840236 /nfs/dbraw/zinc/84/02/36/1092840236.db2.gz RPOAGDLPWSBECG-SFHVURJKSA-N 0 0 342.351 2.721 10 5 EFBERN COc1cc(CCNC(=O)c2cccc(SC)c2[N+](=O)[O-])ccn1 ZINC001587716719 1092843842 /nfs/dbraw/zinc/84/38/42/1092843842.db2.gz VWWMMASIHTUADK-UHFFFAOYSA-N 0 0 347.396 2.693 10 5 EFBERN Cc1cc2nc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)cc(Cl)n2n1 ZINC001587750840 1092848850 /nfs/dbraw/zinc/84/88/50/1092848850.db2.gz BHKAQTMXSNISNF-UHFFFAOYSA-N 0 0 346.734 2.555 10 5 EFBERN COc1ccc(OC(=O)c2ccc(N(C)C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000785131640 1092852633 /nfs/dbraw/zinc/85/26/33/1092852633.db2.gz GYSSWSPOXYASPI-UHFFFAOYSA-N 0 0 344.323 2.805 10 5 EFBERN CCOc1cnc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cn1 ZINC001587796470 1092854014 /nfs/dbraw/zinc/85/40/14/1092854014.db2.gz ZKEKOHGYHMKCBV-UHFFFAOYSA-N 0 0 339.311 2.584 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001587870352 1092861770 /nfs/dbraw/zinc/86/17/70/1092861770.db2.gz YQDJEEARCWHSAN-DOMZBBRYSA-N 0 0 349.456 2.873 10 5 EFBERN COc1ccc(CC(=O)OCc2coc(C3CC3)n2)cc1[N+](=O)[O-] ZINC001588005206 1092883615 /nfs/dbraw/zinc/88/36/15/1092883615.db2.gz SLUNBIJSWFXEPZ-UHFFFAOYSA-N 0 0 332.312 2.755 10 5 EFBERN CC(C)(C)c1ccc(C(=O)Nc2ncc3c(n2)COC3)cc1[N+](=O)[O-] ZINC001588076555 1092889341 /nfs/dbraw/zinc/88/93/41/1092889341.db2.gz QMYNONGZCAOYKN-UHFFFAOYSA-N 0 0 342.355 2.965 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1OCCCO2 ZINC001588088030 1092890356 /nfs/dbraw/zinc/89/03/56/1092890356.db2.gz CDLHNBBTYBSILB-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001588108691 1092893586 /nfs/dbraw/zinc/89/35/86/1092893586.db2.gz BCSCTVRHWJZYCN-UHFFFAOYSA-N 0 0 343.265 2.655 10 5 EFBERN O=C(NCc1cc(-c2ccccc2)no1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001588146649 1092897252 /nfs/dbraw/zinc/89/72/52/1092897252.db2.gz NVPWTLSKQXFIOQ-UHFFFAOYSA-N 0 0 347.718 2.556 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCCn2nccc21 ZINC001588164744 1092899255 /nfs/dbraw/zinc/89/92/55/1092899255.db2.gz WHHTZRBGJFODAD-GFCCVEGCSA-N 0 0 334.763 2.639 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCn2nccc21 ZINC001588164470 1092899457 /nfs/dbraw/zinc/89/94/57/1092899457.db2.gz RVVQIDUFPSMSBV-OAHLLOKOSA-N 0 0 343.387 2.635 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001588192710 1092900403 /nfs/dbraw/zinc/90/04/03/1092900403.db2.gz YLVZNASFLHDIEM-UHFFFAOYSA-N 0 0 349.350 2.687 10 5 EFBERN Cc1cc(C(=O)NCC(=O)CC2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC001588212286 1092902142 /nfs/dbraw/zinc/90/21/42/1092902142.db2.gz CZWNCTZPGAEUBR-UHFFFAOYSA-N 0 0 333.388 2.755 10 5 EFBERN COc1cccc2c1CN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC001588230235 1092905519 /nfs/dbraw/zinc/90/55/19/1092905519.db2.gz BINNSXOVRXCRAN-UHFFFAOYSA-N 0 0 328.324 2.525 10 5 EFBERN COc1cccc2c1CN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC001588230237 1092905948 /nfs/dbraw/zinc/90/59/48/1092905948.db2.gz BKRMWLFUOADENX-UHFFFAOYSA-N 0 0 338.323 2.636 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)o1 ZINC001588242184 1092907927 /nfs/dbraw/zinc/90/79/27/1092907927.db2.gz KCSDCHSHSHXHBE-OAHLLOKOSA-N 0 0 344.367 2.768 10 5 EFBERN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)Cc2cncnc21 ZINC001588244047 1092908803 /nfs/dbraw/zinc/90/88/03/1092908803.db2.gz MXPGFWXNSLMPKC-JTQLQIEISA-N 0 0 338.323 2.891 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)Cc2cncnc21 ZINC001588250584 1092909003 /nfs/dbraw/zinc/90/90/03/1092909003.db2.gz JMSINJKVSYHNNW-SECBINFHSA-N 0 0 332.747 2.798 10 5 EFBERN Cc1c(C(=O)NCCCN(C)c2ccccn2)cccc1[N+](=O)[O-] ZINC001588306420 1092914239 /nfs/dbraw/zinc/91/42/39/1092914239.db2.gz WWOBBVOLSNMKAC-UHFFFAOYSA-N 0 0 328.372 2.555 10 5 EFBERN Cc1ccc(C(=O)NCCCN(C)c2ccccn2)cc1[N+](=O)[O-] ZINC001588306373 1092914743 /nfs/dbraw/zinc/91/47/43/1092914743.db2.gz VFLNUQWSEFCUOB-UHFFFAOYSA-N 0 0 328.372 2.555 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001588470177 1092949117 /nfs/dbraw/zinc/94/91/17/1092949117.db2.gz AXCLHEKFKFIEBF-HOCLYGCPSA-N 0 0 329.331 2.932 10 5 EFBERN CC(C)SCC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001670751285 1092967432 /nfs/dbraw/zinc/96/74/32/1092967432.db2.gz NOIRUDQCAPUWSC-UHFFFAOYSA-N 0 0 343.474 2.536 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000843615331 1093197292 /nfs/dbraw/zinc/19/72/92/1093197292.db2.gz GSZKZMDDGAKXEX-AYJWMTRPSA-N 0 0 345.399 2.514 10 5 EFBERN Cc1ccc(C(=O)NCCN(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC001267227376 1093276930 /nfs/dbraw/zinc/27/69/30/1093276930.db2.gz NQUVUTLLYDXBLH-UHFFFAOYSA-N 0 0 333.413 2.827 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCCCC(=O)Nc1ccc(Cl)cc1 ZINC001650651636 1093478692 /nfs/dbraw/zinc/47/86/92/1093478692.db2.gz RROITUSWGPHTBX-UHFFFAOYSA-N 0 0 337.767 2.813 10 5 EFBERN CNS(=O)(=O)c1cccc([C@H](C)Nc2ccsc2[N+](=O)[O-])c1 ZINC001650723404 1093486689 /nfs/dbraw/zinc/48/66/89/1093486689.db2.gz TWNAQINADGMXQO-VIFPVBQESA-N 0 0 341.414 2.738 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCc2nc(-c3cccc(Cl)c3)no2)n1 ZINC001650759993 1093491065 /nfs/dbraw/zinc/49/10/65/1093491065.db2.gz NJIFPBJAXBDQFJ-UHFFFAOYSA-N 0 0 348.750 2.686 10 5 EFBERN C[C@H](Cc1ccco1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001650775284 1093492752 /nfs/dbraw/zinc/49/27/52/1093492752.db2.gz KJFHNOSEJKIROH-SNVBAGLBSA-N 0 0 341.327 2.790 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001650777320 1093494287 /nfs/dbraw/zinc/49/42/87/1093494287.db2.gz AMKIAMHCJYENOM-GHORINQJSA-N 0 0 327.344 2.611 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@H](C)c2cc3cnccc3o2)c1[N+](=O)[O-] ZINC001650822132 1093496642 /nfs/dbraw/zinc/49/66/42/1093496642.db2.gz DVWBXRBYMGZDNY-MRVPVSSYSA-N 0 0 329.316 2.513 10 5 EFBERN O=C1C[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CN1C1CC1 ZINC001650831721 1093498145 /nfs/dbraw/zinc/49/81/45/1093498145.db2.gz IWTPLMOMHNSRSR-QMMMGPOBSA-N 0 0 329.278 2.789 10 5 EFBERN CC(C)C1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC001650848395 1093499988 /nfs/dbraw/zinc/49/99/88/1093499988.db2.gz YUVUUOZGTGWISK-UHFFFAOYSA-N 0 0 349.435 2.848 10 5 EFBERN CCCn1c(CO)nnc1Sc1ncc([N+](=O)[O-])c2ccccc21 ZINC001650849716 1093500362 /nfs/dbraw/zinc/50/03/62/1093500362.db2.gz UGWSUBLTXDPPHN-UHFFFAOYSA-N 0 0 345.384 2.788 10 5 EFBERN NC(=O)c1cc(NCCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC001650897915 1093504590 /nfs/dbraw/zinc/50/45/90/1093504590.db2.gz IUMNZRVZCPCLES-UHFFFAOYSA-N 0 0 335.747 2.838 10 5 EFBERN Nc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001650922821 1093510086 /nfs/dbraw/zinc/51/00/86/1093510086.db2.gz GUVCMNWZBQKGFU-BBRMVZONSA-N 0 0 329.331 2.932 10 5 EFBERN COCC1(CNc2c3cc(OC)ccc3ncc2[N+](=O)[O-])CCC1 ZINC001651009969 1093518568 /nfs/dbraw/zinc/51/85/68/1093518568.db2.gz GNOWXBQJSYAPJE-UHFFFAOYSA-N 0 0 331.372 2.802 10 5 EFBERN Cn1nnc2c1ncnc2Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001651027100 1093519556 /nfs/dbraw/zinc/51/95/56/1093519556.db2.gz FFDDCYQQZIKEMW-UHFFFAOYSA-N 0 0 341.114 2.766 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3scnc3C)c2c1 ZINC001651077844 1093524124 /nfs/dbraw/zinc/52/41/24/1093524124.db2.gz QOHCLNMCDZMRSI-UHFFFAOYSA-N 0 0 344.396 2.993 10 5 EFBERN Cc1c(Br)c(NCc2cccnc2N)ncc1[N+](=O)[O-] ZINC001651074471 1093524169 /nfs/dbraw/zinc/52/41/69/1093524169.db2.gz FTGZCTJYQUCJAW-UHFFFAOYSA-N 0 0 338.165 2.650 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)Cc2cccc(F)c2)c1 ZINC001651101624 1093527343 /nfs/dbraw/zinc/52/73/43/1093527343.db2.gz NHSJHPWWYFRPFL-CQSZACIVSA-N 0 0 348.330 2.536 10 5 EFBERN CC(C)c1ccc(CN2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001651111057 1093528586 /nfs/dbraw/zinc/52/85/86/1093528586.db2.gz ACJKGGVDIBSJHQ-UHFFFAOYSA-N 0 0 343.431 2.774 10 5 EFBERN Cc1ccc(C[C@@H](CO)Nc2nc3ccccn3c2[N+](=O)[O-])cc1C ZINC001651124136 1093529702 /nfs/dbraw/zinc/52/97/02/1093529702.db2.gz WMWKYBKYQODSKF-HNNXBMFYSA-N 0 0 340.383 2.875 10 5 EFBERN COc1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c(OC)n1 ZINC001651118916 1093529782 /nfs/dbraw/zinc/52/97/82/1093529782.db2.gz YUCJBLKWPJHYPG-UHFFFAOYSA-N 0 0 344.371 2.893 10 5 EFBERN CC(C)C[C@@H](CNc1c([N+](=O)[O-])cnn1C)C(=O)OC(C)(C)C ZINC001651169546 1093535371 /nfs/dbraw/zinc/53/53/71/1093535371.db2.gz ZHFBNNWDWOSROC-NSHDSACASA-N 0 0 326.397 2.744 10 5 EFBERN C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1O ZINC001651187278 1093536113 /nfs/dbraw/zinc/53/61/13/1093536113.db2.gz RMBFOGFMJQSEOT-QWRGUYRKSA-N 0 0 330.344 2.771 10 5 EFBERN O=c1ccc(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c[nH]1 ZINC001651197546 1093537429 /nfs/dbraw/zinc/53/74/29/1093537429.db2.gz FCHOSDQSKLQBJT-UHFFFAOYSA-N 0 0 345.746 2.947 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2ccc(=O)[nH]c2)cc1C ZINC001651197610 1093537732 /nfs/dbraw/zinc/53/77/32/1093537732.db2.gz GEWCHJJTMVJZSH-UHFFFAOYSA-N 0 0 345.355 2.835 10 5 EFBERN O=[N+]([O-])c1ccc(NCCCOc2ncccn2)c2ncccc12 ZINC001651197900 1093538485 /nfs/dbraw/zinc/53/84/85/1093538485.db2.gz JFPQRFXOLVFWGW-UHFFFAOYSA-N 0 0 325.328 2.814 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2ccc(-c3nncnn3)cc2)c(Cl)c1 ZINC001651199581 1093539873 /nfs/dbraw/zinc/53/98/73/1093539873.db2.gz HBYNOXNJHITGMR-UHFFFAOYSA-N 0 0 343.734 2.502 10 5 EFBERN C[C@@H](NC(=O)c1ccc2c(n1)CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC001651218294 1093541445 /nfs/dbraw/zinc/54/14/45/1093541445.db2.gz QQTPDIJQNWJCJC-LLVKDONJSA-N 0 0 326.356 2.839 10 5 EFBERN CC1(C)CCc2onc(CNC(=O)c3cccc([N+](=O)[O-])c3N)c2C1 ZINC001651297455 1093550638 /nfs/dbraw/zinc/55/06/38/1093550638.db2.gz DSRSRCSMVAREKD-UHFFFAOYSA-N 0 0 344.371 2.610 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000843617456 1093570364 /nfs/dbraw/zinc/57/03/64/1093570364.db2.gz DWNPJBHQKQMPIU-BXKDBHETSA-N 0 0 342.779 2.956 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)CCO2 ZINC001267340835 1093619569 /nfs/dbraw/zinc/61/95/69/1093619569.db2.gz CVBFSHQAQNLIEP-UHFFFAOYSA-N 0 0 331.303 2.785 10 5 EFBERN Cc1c(C(=O)NC[C@@H](C)CC(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000843633743 1094301048 /nfs/dbraw/zinc/30/10/48/1094301048.db2.gz YQVWDBVURZYDAN-ZETCQYMHSA-N 0 0 331.275 2.833 10 5 EFBERN Cc1c(C(=O)N2CCc3cc(Cl)nnc3C2)cccc1[N+](=O)[O-] ZINC000843620072 1094373785 /nfs/dbraw/zinc/37/37/85/1094373785.db2.gz UZMLNIKZERIZLC-UHFFFAOYSA-N 0 0 332.747 2.545 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001593771047 1094411159 /nfs/dbraw/zinc/41/11/59/1094411159.db2.gz UFFMNFDHAMWRJQ-UHFFFAOYSA-N 0 0 343.364 2.770 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(=O)OC ZINC000843620444 1094426503 /nfs/dbraw/zinc/42/65/03/1094426503.db2.gz VAEPGRNWTCKQGQ-ZANVPECISA-N 0 0 340.351 2.750 10 5 EFBERN Cc1csc([C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)n1 ZINC001594759806 1094438226 /nfs/dbraw/zinc/43/82/26/1094438226.db2.gz KRYVUVMMXIFANE-NSHDSACASA-N 0 0 332.385 2.572 10 5 EFBERN O=C(Nc1ccn(Cc2ccncc2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC001125751756 1094442346 /nfs/dbraw/zinc/44/23/46/1094442346.db2.gz QATFRYUXCUGAHF-UHFFFAOYSA-N 0 0 341.302 2.626 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1cccc(F)c1 ZINC001595417686 1094466882 /nfs/dbraw/zinc/46/68/82/1094466882.db2.gz FBKVVQRWGTWKNR-INIZCTEOSA-N 0 0 332.331 2.814 10 5 EFBERN NC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC001595481183 1094472998 /nfs/dbraw/zinc/47/29/98/1094472998.db2.gz RMMMCFVRAWBWDY-UHFFFAOYSA-N 0 0 339.760 2.590 10 5 EFBERN COc1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(Cl)n1 ZINC001595507990 1094473662 /nfs/dbraw/zinc/47/36/62/1094473662.db2.gz ADJWUZCGNQDCIW-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN Cc1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001595509668 1094474059 /nfs/dbraw/zinc/47/40/59/1094474059.db2.gz XYTNTMDXRWJOAY-UONOGXRCSA-N 0 0 348.399 2.887 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1c2c(nn1C)CCCC2 ZINC001595511168 1094474433 /nfs/dbraw/zinc/47/44/33/1094474433.db2.gz HRLNUHJDZWHCCD-UHFFFAOYSA-N 0 0 332.335 2.907 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)C1 ZINC001595527593 1094475515 /nfs/dbraw/zinc/47/55/15/1094475515.db2.gz XEXZCESRQZJYLL-UHFFFAOYSA-N 0 0 336.413 2.959 10 5 EFBERN C/C(=C\c1ccccn1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001595562556 1094476804 /nfs/dbraw/zinc/47/68/04/1094476804.db2.gz DDIXHVBHBBPKKZ-OUKQBFOZSA-N 0 0 326.356 2.621 10 5 EFBERN Cc1cc(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)cs1 ZINC001595551428 1094477148 /nfs/dbraw/zinc/47/71/48/1094477148.db2.gz VQPAAWUWTLTVOF-UHFFFAOYSA-N 0 0 343.368 2.857 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001595725787 1094488170 /nfs/dbraw/zinc/48/81/70/1094488170.db2.gz HIIFXCUZHVYIFQ-UHFFFAOYSA-N 0 0 328.250 2.815 10 5 EFBERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1ccn2ccnc2c1 ZINC001595725001 1094488656 /nfs/dbraw/zinc/48/86/56/1094488656.db2.gz OPECZNXUEZFGHW-UHFFFAOYSA-N 0 0 342.330 2.631 10 5 EFBERN COc1ccc(CC(=O)Nc2cccc3nccnc32)cc1[N+](=O)[O-] ZINC001595828960 1094496755 /nfs/dbraw/zinc/49/67/55/1094496755.db2.gz XQYFDRPTXIKFHA-UHFFFAOYSA-N 0 0 338.323 2.728 10 5 EFBERN COc1cccc(C(=O)Nc2c3c(ccc2F)OCO3)c1[N+](=O)[O-] ZINC001595924231 1094504519 /nfs/dbraw/zinc/50/45/19/1094504519.db2.gz SIDUEUBCKWDYNF-UHFFFAOYSA-N 0 0 334.259 2.724 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)NCc1noc2cc(F)ccc12 ZINC001596138106 1094515115 /nfs/dbraw/zinc/51/51/15/1094515115.db2.gz BNDZOTXPFYRQBW-UHFFFAOYSA-N 0 0 345.286 2.570 10 5 EFBERN CCc1c(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cnn1CC(C)C ZINC001596200465 1094518878 /nfs/dbraw/zinc/51/88/78/1094518878.db2.gz BTTQOIUHMUQRCY-UHFFFAOYSA-N 0 0 347.375 2.666 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2ccsn2)c1 ZINC001596200692 1094519023 /nfs/dbraw/zinc/51/90/23/1094519023.db2.gz MOJJTCVFUJIEEB-UHFFFAOYSA-N 0 0 343.368 2.857 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)cn1 ZINC001596232404 1094520249 /nfs/dbraw/zinc/52/02/49/1094520249.db2.gz XLQXUAHGKPHOCP-UHFFFAOYSA-N 0 0 338.726 2.603 10 5 EFBERN CO[C@@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001596242892 1094521021 /nfs/dbraw/zinc/52/10/21/1094521021.db2.gz YGRVSFPAXJSBQU-CQSZACIVSA-N 0 0 341.367 2.908 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CCSCC2)n1 ZINC001596269007 1094523244 /nfs/dbraw/zinc/52/32/44/1094523244.db2.gz CQHKRZVVEHRMKX-UHFFFAOYSA-N 0 0 347.400 2.815 10 5 EFBERN O=C(Cc1cc2ccccc2c(=O)[nH]1)NCc1ccccc1[N+](=O)[O-] ZINC001596290369 1094524923 /nfs/dbraw/zinc/52/49/23/1094524923.db2.gz DDVUNXRJTCITPC-UHFFFAOYSA-N 0 0 337.335 2.708 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)OC)ccn1 ZINC001596416312 1094531145 /nfs/dbraw/zinc/53/11/45/1094531145.db2.gz BQYCGQDHRUYWEM-UHFFFAOYSA-N 0 0 329.312 2.591 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cn(CC3CC3)nn2)c1C ZINC001596522322 1094535263 /nfs/dbraw/zinc/53/52/63/1094535263.db2.gz RZFIFJASWOTBPH-UHFFFAOYSA-N 0 0 330.344 2.570 10 5 EFBERN COC(=O)c1cnc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001596546685 1094535450 /nfs/dbraw/zinc/53/54/50/1094535450.db2.gz GXWQSNLDQQOBFX-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN O=C(NC[C@@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001596725607 1094544330 /nfs/dbraw/zinc/54/43/30/1094544330.db2.gz PPGRDBKUFOGYKF-HNNXBMFYSA-N 0 0 348.362 2.850 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2ncon2)C1 ZINC001596850940 1094549825 /nfs/dbraw/zinc/54/98/25/1094549825.db2.gz ZDNOPUQXSFKUEN-GFCCVEGCSA-N 0 0 330.344 2.614 10 5 EFBERN O=C(NCCC[C@@H]1C=CCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001596910143 1094551582 /nfs/dbraw/zinc/55/15/82/1094551582.db2.gz MIATVHWBZOZBQP-CYBMUJFWSA-N 0 0 341.371 2.652 10 5 EFBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCC[C@@H]1C=CCC1 ZINC001596911095 1094551926 /nfs/dbraw/zinc/55/19/26/1094551926.db2.gz WRDZUFWQHXZKQB-CQSZACIVSA-N 0 0 345.399 2.577 10 5 EFBERN CC(=O)N(CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001596983332 1094556959 /nfs/dbraw/zinc/55/69/59/1094556959.db2.gz GWEGTOFBRBGKCK-ZDUSSCGKSA-N 0 0 341.367 2.825 10 5 EFBERN C[C@H](NC(=O)CCc1ccc(C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC001596983626 1094557204 /nfs/dbraw/zinc/55/72/04/1094557204.db2.gz PCGBGIZLNJNTFU-LBPRGKRZSA-N 0 0 341.367 2.504 10 5 EFBERN COC(=O)/C=C\c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001596983714 1094557378 /nfs/dbraw/zinc/55/73/78/1094557378.db2.gz SHOUBXQAGFDLTE-IEHMKBBKSA-N 0 0 344.323 2.865 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ncon1)C1CC1 ZINC001596966924 1094557449 /nfs/dbraw/zinc/55/74/49/1094557449.db2.gz NEGCAIHVONYXIA-LBPRGKRZSA-N 0 0 334.357 2.581 10 5 EFBERN CC(C)(C)[S@@](C)(=O)=NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001597010876 1094560246 /nfs/dbraw/zinc/56/02/46/1094560246.db2.gz OHITXZLTUAMLQK-HSZRJFAPSA-N 0 0 340.401 2.981 10 5 EFBERN CC(C)(C)c1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)o1 ZINC001597104024 1094565857 /nfs/dbraw/zinc/56/58/57/1094565857.db2.gz PNMXUQMKDBPZSL-UHFFFAOYSA-N 0 0 334.376 2.733 10 5 EFBERN O=C(COC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001125848493 1094566100 /nfs/dbraw/zinc/56/61/00/1094566100.db2.gz QRHIEAJMTDWIMI-HOTGVXAUSA-N 0 0 340.335 2.880 10 5 EFBERN CN(CC1(O)CCCC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001597121735 1094566639 /nfs/dbraw/zinc/56/66/39/1094566639.db2.gz BDCFHSQQMOYDDZ-UHFFFAOYSA-N 0 0 326.780 2.554 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)c1 ZINC001597157142 1094569197 /nfs/dbraw/zinc/56/91/97/1094569197.db2.gz RLGAWVISBTVDFI-GFCCVEGCSA-N 0 0 340.335 2.667 10 5 EFBERN NC(=O)[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001597165644 1094569524 /nfs/dbraw/zinc/56/95/24/1094569524.db2.gz RYDINQZKCQNBKM-UONOGXRCSA-N 0 0 333.391 2.772 10 5 EFBERN CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)CCC2 ZINC001597217247 1094571629 /nfs/dbraw/zinc/57/16/29/1094571629.db2.gz RUPCUJPGHCXJMZ-OAHLLOKOSA-N 0 0 343.387 2.762 10 5 EFBERN C[C@H](C(=O)Nc1cccc2c1CN(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC001597247650 1094574101 /nfs/dbraw/zinc/57/41/01/1094574101.db2.gz ANAGXLKTHHKDQP-NSHDSACASA-N 0 0 339.351 2.923 10 5 EFBERN Nc1c(Cl)cc(C(=O)N[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC001597303035 1094578222 /nfs/dbraw/zinc/57/82/22/1094578222.db2.gz GKDBOZSWZGOTTG-GFCCVEGCSA-N 0 0 341.795 2.501 10 5 EFBERN COc1cccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)c1 ZINC001597435146 1094587493 /nfs/dbraw/zinc/58/74/93/1094587493.db2.gz AMUGBGMIJSQYRJ-UHFFFAOYSA-N 0 0 339.351 2.846 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCC(F)F ZINC001597463243 1094589396 /nfs/dbraw/zinc/58/93/96/1094589396.db2.gz DTEIEMSWYLQEGX-UHFFFAOYSA-N 0 0 331.275 2.597 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC001597524888 1094596202 /nfs/dbraw/zinc/59/62/02/1094596202.db2.gz BXGWUWDAQZOGDG-NSHDSACASA-N 0 0 334.357 2.859 10 5 EFBERN Cc1ccc(C(=O)Nc2cccc(C)c2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001597567636 1094600603 /nfs/dbraw/zinc/60/06/03/1094600603.db2.gz BBZVUXZJCNXAIY-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3cn[nH]c3)cn1)CC2 ZINC001597627607 1094606794 /nfs/dbraw/zinc/60/67/94/1094606794.db2.gz RRIBDJIVYAJSDU-UHFFFAOYSA-N 0 0 349.350 2.891 10 5 EFBERN C[C@H]1CC(C)(C)CN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001597630913 1094607108 /nfs/dbraw/zinc/60/71/08/1094607108.db2.gz INXYLAUBFQCQJX-XHDPSFHLSA-N 0 0 331.372 2.735 10 5 EFBERN C=CC(=O)Nc1cccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001620977265 1094609012 /nfs/dbraw/zinc/60/90/12/1094609012.db2.gz JWQSNGOQLUGUNZ-UHFFFAOYSA-N 0 0 337.335 2.875 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2c3c(ccc2F)OCO3)c1 ZINC001597643797 1094609219 /nfs/dbraw/zinc/60/92/19/1094609219.db2.gz TZINFVQEADKPNS-UHFFFAOYSA-N 0 0 334.259 2.724 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2cc(F)c(Cl)cc2OC)c1[N+](=O)[O-] ZINC001597664978 1094610684 /nfs/dbraw/zinc/61/06/84/1094610684.db2.gz SVVJTIOUCFEEOO-UHFFFAOYSA-N 0 0 342.714 2.934 10 5 EFBERN C[C@@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1csnn1 ZINC001597732009 1094617100 /nfs/dbraw/zinc/61/71/00/1094617100.db2.gz MXLQVPPLJJWTLL-SECBINFHSA-N 0 0 332.341 2.705 10 5 EFBERN C[C@H](c1ccccc1)N(CCO)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001597850132 1094632439 /nfs/dbraw/zinc/63/24/39/1094632439.db2.gz CITCWVZNIGVAEI-CQSZACIVSA-N 0 0 328.368 2.719 10 5 EFBERN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC001597864760 1094634036 /nfs/dbraw/zinc/63/40/36/1094634036.db2.gz BIQAAIXNMILLTH-GFCCVEGCSA-N 0 0 341.245 2.838 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)COc1cccc(Cl)c1 ZINC001597919786 1094639831 /nfs/dbraw/zinc/63/98/31/1094639831.db2.gz NMUUNEXTSADCCY-UHFFFAOYSA-N 0 0 337.719 2.669 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001597919779 1094640023 /nfs/dbraw/zinc/64/00/23/1094640023.db2.gz NFQAXWUUWKYBMU-SNVBAGLBSA-N 0 0 333.319 2.955 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1cccc(Cl)c1F ZINC001597919784 1094640062 /nfs/dbraw/zinc/64/00/62/1094640062.db2.gz NLBOUTUTJXIQDR-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN CCOC(=O)c1c(NC(=O)CCc2cccc([N+](=O)[O-])c2)ccn1C ZINC001597919340 1094640328 /nfs/dbraw/zinc/64/03/28/1094640328.db2.gz HQXKOGXZTWVASG-UHFFFAOYSA-N 0 0 345.355 2.681 10 5 EFBERN CCC(CC)n1nccc1C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001597919446 1094640582 /nfs/dbraw/zinc/64/05/82/1094640582.db2.gz LWPIHGSCIWHXQT-UHFFFAOYSA-N 0 0 333.348 2.808 10 5 EFBERN COC(=O)c1nc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC001597935423 1094641537 /nfs/dbraw/zinc/64/15/37/1094641537.db2.gz AZRNJVLIBISCTF-MRVPVSSYSA-N 0 0 336.325 2.756 10 5 EFBERN Nc1c(C(=O)Nc2ccnc(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC001598108359 1094656898 /nfs/dbraw/zinc/65/68/98/1094656898.db2.gz DVOWYQIFLCEFEN-UHFFFAOYSA-N 0 0 341.371 2.815 10 5 EFBERN COc1ccncc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001598129164 1094658456 /nfs/dbraw/zinc/65/84/56/1094658456.db2.gz RUNWVGDEHDNWOA-UHFFFAOYSA-N 0 0 340.698 2.625 10 5 EFBERN CNc1nccc(C(=O)N=[S@@](C)(=O)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC001598173017 1094660725 /nfs/dbraw/zinc/66/07/25/1094660725.db2.gz VZKZHGAFRAHPLR-DEOSSOPVSA-N 0 0 348.384 2.637 10 5 EFBERN CC(C)Cc1coc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC001598155737 1094660773 /nfs/dbraw/zinc/66/07/73/1094660773.db2.gz ZLPYLVVUNKWMIT-UHFFFAOYSA-N 0 0 343.343 2.770 10 5 EFBERN CN(Cc1nnc2ccccn21)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001598202652 1094663786 /nfs/dbraw/zinc/66/37/86/1094663786.db2.gz WFKMJNRPFCUPMF-UHFFFAOYSA-N 0 0 345.746 2.563 10 5 EFBERN COc1cccc(C(=O)N=[S@@](C)(=O)c2ccccc2)c1[N+](=O)[O-] ZINC001598302407 1094668151 /nfs/dbraw/zinc/66/81/51/1094668151.db2.gz RMDFYHPKEFZKIL-QHCPKHFHSA-N 0 0 334.353 2.901 10 5 EFBERN COc1ccc([S@](C)(=O)=NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001598308817 1094670089 /nfs/dbraw/zinc/67/00/89/1094670089.db2.gz DTINQCRVDZQGDO-QHCPKHFHSA-N 0 0 334.353 2.901 10 5 EFBERN Cc1cc(COC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)no1 ZINC001598383543 1094674793 /nfs/dbraw/zinc/67/47/93/1094674793.db2.gz JOHNEQQRQGMMIC-UHFFFAOYSA-N 0 0 327.296 2.984 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)c[nH]c1=O ZINC001620991231 1094689742 /nfs/dbraw/zinc/68/97/42/1094689742.db2.gz RNXZXACKDUZYCR-UHFFFAOYSA-N 0 0 333.319 2.587 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001625906931 1094766812 /nfs/dbraw/zinc/76/68/12/1094766812.db2.gz DOXCVVZRWHZUEQ-UHFFFAOYSA-N 0 0 341.245 2.644 10 5 EFBERN CCCN(CCNC(=O)CC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001481131294 1094892824 /nfs/dbraw/zinc/89/28/24/1094892824.db2.gz BNGKFZQDKWWSAI-UHFFFAOYSA-N 0 0 347.337 2.875 10 5 EFBERN COC(=O)c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)ccc1C ZINC001126249228 1094941850 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EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2cc(=O)ccc-2c1 ZINC001626503268 1099883075 /nfs/dbraw/zinc/88/30/75/1099883075.db2.gz RCHOPIPNJZNVPJ-UHFFFAOYSA-N 0 0 337.335 2.821 10 5 EFBERN CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nccn1C ZINC001626511654 1099884773 /nfs/dbraw/zinc/88/47/73/1099884773.db2.gz ONLLKTQVVCMGNM-UHFFFAOYSA-N 0 0 329.143 2.912 10 5 EFBERN Cc1nn(CCC(=O)Nc2ccc(C(C)C)nc2)c(C)c1[N+](=O)[O-] ZINC001626529758 1099886530 /nfs/dbraw/zinc/88/65/30/1099886530.db2.gz XFOWCTGAKFXYAB-UHFFFAOYSA-N 0 0 331.376 2.955 10 5 EFBERN O=C(Oc1ccc2c(c1)CC(=O)N2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001626551197 1099889633 /nfs/dbraw/zinc/88/96/33/1099889633.db2.gz VRACHESMBDWZCG-LSDHHAIUSA-N 0 0 338.319 2.799 10 5 EFBERN O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001626593926 1099895271 /nfs/dbraw/zinc/89/52/71/1099895271.db2.gz WLHGMCIVJMZUMY-CQSZACIVSA-N 0 0 343.314 2.937 10 5 EFBERN Nc1ncc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1[N+](=O)[O-] ZINC001626668940 1099904377 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Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nncs2)cc1 ZINC001270934247 1100282611 /nfs/dbraw/zinc/28/26/11/1100282611.db2.gz HOTMVFQFVILZNF-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001630190309 1100284784 /nfs/dbraw/zinc/28/47/84/1100284784.db2.gz FCUUMEZEFOLSCS-GXTWGEPZSA-N 0 0 334.372 2.635 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1COCc2ccccc21 ZINC001630268295 1100288680 /nfs/dbraw/zinc/28/86/80/1100288680.db2.gz YQIGBEMNXYGNNU-OAHLLOKOSA-N 0 0 330.315 2.664 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](O)c1cccc(C)c1 ZINC001630289915 1100290411 /nfs/dbraw/zinc/29/04/11/1100290411.db2.gz HGFWPHKDYJVAQD-HNNXBMFYSA-N 0 0 344.367 2.765 10 5 EFBERN Cc1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(=O)[nH]1 ZINC001630339975 1100296038 /nfs/dbraw/zinc/29/60/38/1100296038.db2.gz QDOIUZUCNNXTKB-UHFFFAOYSA-N 0 0 327.296 2.680 10 5 EFBERN CC(C)C(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001630348504 1100297982 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EFBERN CN(C)c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1Cl ZINC001630703529 1100331965 /nfs/dbraw/zinc/33/19/65/1100331965.db2.gz AXONCPXPGFPIII-UHFFFAOYSA-N 0 0 344.158 2.943 10 5 EFBERN COc1ccc(CNC(=O)c2c[nH]nc2-c2ccco2)cc1[N+](=O)[O-] ZINC001630722720 1100334246 /nfs/dbraw/zinc/33/42/46/1100334246.db2.gz UMDWHNITNTXUCR-UHFFFAOYSA-N 0 0 342.311 2.517 10 5 EFBERN Nc1c(C(=O)N2CCC(c3ccc(F)cn3)CC2)cccc1[N+](=O)[O-] ZINC001630725578 1100334274 /nfs/dbraw/zinc/33/42/74/1100334274.db2.gz TYFCHHUDLXTRSO-UHFFFAOYSA-N 0 0 344.346 2.731 10 5 EFBERN CC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1noc(C)n1 ZINC001630739086 1100334941 /nfs/dbraw/zinc/33/49/41/1100334941.db2.gz COHVVNHYVFYQDN-GFCCVEGCSA-N 0 0 329.316 2.649 10 5 EFBERN Nc1ncc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1[N+](=O)[O-] ZINC001630752643 1100336362 /nfs/dbraw/zinc/33/63/62/1100336362.db2.gz ATWHFJOLTMVRGM-UHFFFAOYSA-N 0 0 339.311 2.843 10 5 EFBERN Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC001630757105 1100336637 /nfs/dbraw/zinc/33/66/37/1100336637.db2.gz ULPDRIPZUKYOAN-UHFFFAOYSA-N 0 0 346.343 2.834 10 5 EFBERN Nc1c(C(=O)Nc2ccccc2O)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001630777057 1100338622 /nfs/dbraw/zinc/33/86/22/1100338622.db2.gz CUJYOAHUMYRPIU-UHFFFAOYSA-N 0 0 325.683 2.927 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)c(N)c([N+](=O)[O-])c1 ZINC001630796560 1100341141 /nfs/dbraw/zinc/34/11/41/1100341141.db2.gz ATIAWHWGYCULDD-HOCLYGCPSA-N 0 0 333.388 2.563 10 5 EFBERN Cc1c[nH]c(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC001630849955 1100346412 /nfs/dbraw/zinc/34/64/12/1100346412.db2.gz XFJOIIAYZDTAQK-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1[C@@H]1CCC(=O)N1 ZINC001630858342 1100347000 /nfs/dbraw/zinc/34/70/00/1100347000.db2.gz JNTRCGDOVZDNPR-HNNXBMFYSA-N 0 0 339.351 2.727 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(cc1OC)OCO2 ZINC001630890202 1100349590 /nfs/dbraw/zinc/34/95/90/1100349590.db2.gz AKJLRORKQQDHGX-UHFFFAOYSA-N 0 0 345.311 2.626 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)OC ZINC001630890976 1100351205 /nfs/dbraw/zinc/35/12/05/1100351205.db2.gz QNPJQOXHECESPD-INIZCTEOSA-N 0 0 329.356 2.833 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(F)F)n(C)n1 ZINC001630890454 1100351920 /nfs/dbraw/zinc/35/19/20/1100351920.db2.gz HZBSNYIDWCLNRE-UHFFFAOYSA-N 0 0 325.275 2.560 10 5 EFBERN O=C(N[C@H]1CCc2cc(F)ccc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001631034377 1100364328 /nfs/dbraw/zinc/36/43/28/1100364328.db2.gz QBHQMULYUROVBE-JKSUJKDBSA-N 0 0 330.315 2.571 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cccc(F)n2)c1F ZINC001631090494 1100368419 /nfs/dbraw/zinc/36/84/19/1100368419.db2.gz JNGWLSMBWHFVAQ-UHFFFAOYSA-N 0 0 325.246 2.646 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccsn1 ZINC001631100306 1100371322 /nfs/dbraw/zinc/37/13/22/1100371322.db2.gz FFYJJUIOQULFMS-UHFFFAOYSA-N 0 0 335.385 2.867 10 5 EFBERN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001631118878 1100371869 /nfs/dbraw/zinc/37/18/69/1100371869.db2.gz ARRKVNKFRFPCKL-SNVBAGLBSA-N 0 0 345.330 2.707 10 5 EFBERN Cc1ccccc1[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001631192345 1100377330 /nfs/dbraw/zinc/37/73/30/1100377330.db2.gz KYXPYLBJBPIRSS-INIZCTEOSA-N 0 0 332.331 2.814 10 5 EFBERN CNc1nccc(C(=O)N[C@@H]2COc3c2cccc3Cl)c1[N+](=O)[O-] ZINC001631299874 1100385926 /nfs/dbraw/zinc/38/59/26/1100385926.db2.gz JVJVWTVICAKJOT-LLVKDONJSA-N 0 0 348.746 2.548 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001631493916 1100404247 /nfs/dbraw/zinc/40/42/47/1100404247.db2.gz UEIYWZUHHIQOJO-JUDXGUMMSA-N 0 0 336.413 2.759 10 5 EFBERN CCn1c2ccc(C)cc2nc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001631545453 1100409650 /nfs/dbraw/zinc/40/96/50/1100409650.db2.gz NIUDPBGEYWDHCN-UHFFFAOYSA-N 0 0 340.343 2.502 10 5 EFBERN Cc1[nH]nc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1Cl ZINC001631565153 1100410759 /nfs/dbraw/zinc/41/07/59/1100410759.db2.gz KJENSBWHLNOWFA-UHFFFAOYSA-N 0 0 338.751 2.996 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cnc2c(c1)COCC2 ZINC001631641004 1100416089 /nfs/dbraw/zinc/41/60/89/1100416089.db2.gz HCYSSYBGQPFKLV-UHFFFAOYSA-N 0 0 347.758 2.897 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2cccnc2)CC1 ZINC001631865114 1100434339 /nfs/dbraw/zinc/43/43/39/1100434339.db2.gz OZTXTSNNGZPHLV-UHFFFAOYSA-N 0 0 326.356 2.592 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001631989213 1100445351 /nfs/dbraw/zinc/44/53/51/1100445351.db2.gz KTGCTLMFSOXGHC-APPDUMDISA-N 0 0 332.331 2.515 10 5 EFBERN O=C(Nc1nncn1-c1ccccc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001632043845 1100449404 /nfs/dbraw/zinc/44/94/04/1100449404.db2.gz WUWDWEQSAIUTSU-HOTGVXAUSA-N 0 0 349.350 2.918 10 5 EFBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C(F)(F)C1 ZINC001632114400 1100454357 /nfs/dbraw/zinc/45/43/57/1100454357.db2.gz WUKWDSWKJWXPRE-HNNXBMFYSA-N 0 0 348.305 2.762 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]nc1-c1ccco1 ZINC001632148951 1100455862 /nfs/dbraw/zinc/45/58/62/1100455862.db2.gz UVXFMBCLQDNVPC-UHFFFAOYSA-N 0 0 326.312 2.550 10 5 EFBERN CCNc1cccnc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632259623 1100462805 /nfs/dbraw/zinc/46/28/05/1100462805.db2.gz FPKPQAAABNFNQQ-UHFFFAOYSA-N 0 0 326.316 2.550 10 5 EFBERN CC(C)Oc1ccc(F)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001632286631 1100464962 /nfs/dbraw/zinc/46/49/62/1100464962.db2.gz JBCCRHMNTOGDPU-UHFFFAOYSA-N 0 0 334.307 2.751 10 5 EFBERN COc1ccc(NC(=O)Cc2cccc3nsnc32)cc1[N+](=O)[O-] ZINC001632510797 1100479259 /nfs/dbraw/zinc/47/92/59/1100479259.db2.gz NGOHKBSCLVNCTD-UHFFFAOYSA-N 0 0 344.352 2.789 10 5 EFBERN CCc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC001632506890 1100479868 /nfs/dbraw/zinc/47/98/68/1100479868.db2.gz RUWUDNWKCQNMNT-HNNXBMFYSA-N 0 0 341.367 2.993 10 5 EFBERN CSc1ccc(C(=O)N2c3ccccc3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001632534240 1100480815 /nfs/dbraw/zinc/48/08/15/1100480815.db2.gz BMDHKFTTZYDTCN-CYBMUJFWSA-N 0 0 344.392 2.881 10 5 EFBERN COC(=O)c1ccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001632615774 1100489209 /nfs/dbraw/zinc/48/92/09/1100489209.db2.gz ZIRMSXSDJVALIF-UHFFFAOYSA-N 0 0 349.730 2.611 10 5 EFBERN Nc1c(C(=O)Nc2ccc(O)cc2Cl)cc(F)cc1[N+](=O)[O-] ZINC001632718388 1100496380 /nfs/dbraw/zinc/49/63/80/1100496380.db2.gz XITFMJQAPCQAOV-UHFFFAOYSA-N 0 0 325.683 2.927 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(=O)c2ccccc2[nH]1 ZINC001632728553 1100496510 /nfs/dbraw/zinc/49/65/10/1100496510.db2.gz GPQCXNJQVZFQPH-JXMROGBWSA-N 0 0 349.346 2.766 10 5 EFBERN C[C@]1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC001632738308 1100497533 /nfs/dbraw/zinc/49/75/33/1100497533.db2.gz VQZLEXODRWNPQE-ZFWWWQNUSA-N 0 0 339.779 2.518 10 5 EFBERN C[C@@H]1COc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001632742485 1100498699 /nfs/dbraw/zinc/49/86/99/1100498699.db2.gz XZJFEIPFCLFAGM-LLVKDONJSA-N 0 0 327.340 2.600 10 5 EFBERN Cc1ccc([C@H]2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)cc1 ZINC001632764915 1100499891 /nfs/dbraw/zinc/49/98/91/1100499891.db2.gz FRDKAMVWHIDFFV-NSHDSACASA-N 0 0 334.763 2.909 10 5 EFBERN Cc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)nc1 ZINC001632922530 1100509552 /nfs/dbraw/zinc/50/95/52/1100509552.db2.gz ZQRGJIHVVBQBII-UHFFFAOYSA-N 0 0 328.372 2.588 10 5 EFBERN O=C(Nc1cnn(CCF)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001632996410 1100514098 /nfs/dbraw/zinc/51/40/98/1100514098.db2.gz XQMFAWKIPCKRCX-UHFFFAOYSA-N 0 0 344.249 2.615 10 5 EFBERN Cc1ccc(C[C@@H](CO)NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC001632989594 1100514238 /nfs/dbraw/zinc/51/42/38/1100514238.db2.gz YORUTNCPKGJLFT-ZDUSSCGKSA-N 0 0 348.786 2.890 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1Cc2cncnc2[C@@H](C)C1 ZINC001633009025 1100515734 /nfs/dbraw/zinc/51/57/34/1100515734.db2.gz UMISJLRJLKVTRX-NSHDSACASA-N 0 0 342.355 2.543 10 5 EFBERN Cc1c[nH]c(C2(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])CCC2)n1 ZINC001633021951 1100515769 /nfs/dbraw/zinc/51/57/69/1100515769.db2.gz BLLJMADWBMJQMK-UHFFFAOYSA-N 0 0 346.362 2.894 10 5 EFBERN CCCCOC(=O)CNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001633036849 1100516758 /nfs/dbraw/zinc/51/67/58/1100516758.db2.gz YTXUFXURZMGAFL-AWEZNQCLSA-N 0 0 336.388 2.623 10 5 EFBERN CN(CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC001633060496 1100519101 /nfs/dbraw/zinc/51/91/01/1100519101.db2.gz KPVBTHODXLVJOB-UHFFFAOYSA-N 0 0 348.790 2.900 10 5 EFBERN CC(C)[C@H]1CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001633162284 1100526390 /nfs/dbraw/zinc/52/63/90/1100526390.db2.gz BHJGQZJBMJDHIF-AWEZNQCLSA-N 0 0 343.387 2.684 10 5 EFBERN CN1Cc2cc(NC(=O)c3c(F)cccc3[N+](=O)[O-])ccc2NC1=O ZINC001633335329 1100537148 /nfs/dbraw/zinc/53/71/48/1100537148.db2.gz CLDKBSYJEGTLEF-UHFFFAOYSA-N 0 0 344.302 2.964 10 5 EFBERN CO[C@H](Cc1ccccc1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001633375371 1100539764 /nfs/dbraw/zinc/53/97/64/1100539764.db2.gz WLTAPKVRYJJGBR-OAHLLOKOSA-N 0 0 340.339 2.667 10 5 EFBERN Cc1cc(CCC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC001633402484 1100540287 /nfs/dbraw/zinc/54/02/87/1100540287.db2.gz ZCSYPDDSADAMLI-UHFFFAOYSA-N 0 0 328.372 2.928 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc2c(c1)CCCC(=O)N2 ZINC001633448570 1100542446 /nfs/dbraw/zinc/54/24/46/1100542446.db2.gz RRASSPMBRKJCSL-UHFFFAOYSA-N 0 0 341.323 2.671 10 5 EFBERN CCC(C)(C)[C@H](O)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001633462016 1100543790 /nfs/dbraw/zinc/54/37/90/1100543790.db2.gz BDMZTMSTRRFANW-CQSZACIVSA-N 0 0 332.360 2.721 10 5 EFBERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001633492301 1100545357 /nfs/dbraw/zinc/54/53/57/1100545357.db2.gz ICHVFOXREBEMDV-MRXNPFEDSA-N 0 0 344.342 2.593 10 5 EFBERN Nc1c(C(=O)N[C@@H]2CCC[C@H]2CCO)cc2ccccc2c1[N+](=O)[O-] ZINC001633581166 1100552213 /nfs/dbraw/zinc/55/22/13/1100552213.db2.gz JRZDTOHHOLMWOM-XHDPSFHLSA-N 0 0 343.383 2.611 10 5 EFBERN CC[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ncc[nH]1 ZINC001633639031 1100555323 /nfs/dbraw/zinc/55/53/23/1100555323.db2.gz NZKUPHKEGMKBPJ-ZDUSSCGKSA-N 0 0 339.355 2.934 10 5 EFBERN CN(C)Cc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC001633729942 1100561736 /nfs/dbraw/zinc/56/17/36/1100561736.db2.gz GXEBQANVVZIANM-UHFFFAOYSA-N 0 0 331.372 2.564 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001633787771 1100565071 /nfs/dbraw/zinc/56/50/71/1100565071.db2.gz PQSYYGHRWGRIBZ-HNNXBMFYSA-N 0 0 348.786 2.890 10 5 EFBERN CC(C)OC(=O)CCCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001634065835 1100582794 /nfs/dbraw/zinc/58/27/94/1100582794.db2.gz MHADOUNAZFVDDC-GFCCVEGCSA-N 0 0 337.376 2.687 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001634104670 1100584885 /nfs/dbraw/zinc/58/48/85/1100584885.db2.gz FSTFOQKFBMOAIH-MRXNPFEDSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccn2)c1 ZINC001634117002 1100585806 /nfs/dbraw/zinc/58/58/06/1100585806.db2.gz LRMJOEFGQPWUSS-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN CC(C)[C@@H]1C[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC001634186769 1100589400 /nfs/dbraw/zinc/58/94/00/1100589400.db2.gz HOKNUHQHWGZGMB-ABAIWWIYSA-N 0 0 346.387 2.539 10 5 EFBERN O=C(C=CC=C(Cl)Cl)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001634187272 1100590649 /nfs/dbraw/zinc/59/06/49/1100590649.db2.gz VWAPBUORLQANEJ-IWQZZHSRSA-N 0 0 341.154 2.963 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@@H](O)Cc2ccccc21 ZINC001634317370 1100599371 /nfs/dbraw/zinc/59/93/71/1100599371.db2.gz RLLRELPWZXMPTO-ZDUSSCGKSA-N 0 0 346.770 2.741 10 5 EFBERN CCCn1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cn1 ZINC001634387142 1100605801 /nfs/dbraw/zinc/60/58/01/1100605801.db2.gz MMMZCVDKBDTFGW-UHFFFAOYSA-N 0 0 346.343 2.615 10 5 EFBERN Cc1c(Br)ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1F ZINC001634429477 1100607314 /nfs/dbraw/zinc/60/73/14/1100607314.db2.gz XBCPPIWOJHFUOG-UHFFFAOYSA-N 0 0 343.112 2.780 10 5 EFBERN O=C(Cc1cccc2nsnc21)NCCc1ccccc1[N+](=O)[O-] ZINC001634476723 1100610386 /nfs/dbraw/zinc/61/03/86/1100610386.db2.gz IFLYSMWHIWJBIU-UHFFFAOYSA-N 0 0 342.380 2.501 10 5 EFBERN Cc1ccccc1O[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001634522305 1100612699 /nfs/dbraw/zinc/61/26/99/1100612699.db2.gz DOXVCOZFMGOFGT-GFCCVEGCSA-N 0 0 329.356 2.683 10 5 EFBERN COc1cccc2c(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cnn21 ZINC001634544892 1100614254 /nfs/dbraw/zinc/61/42/54/1100614254.db2.gz AIMUGLIOVSMBLY-NSHDSACASA-N 0 0 340.339 2.742 10 5 EFBERN Cc1nc[nH]c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001634560758 1100616194 /nfs/dbraw/zinc/61/61/94/1100616194.db2.gz KVNLISLUXLJTEL-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001634599909 1100618120 /nfs/dbraw/zinc/61/81/20/1100618120.db2.gz XBBCGRDDAAQWPW-SSDOTTSWSA-N 0 0 344.249 2.743 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(OCc2ccccn2)cc1 ZINC001634604494 1100618250 /nfs/dbraw/zinc/61/82/50/1100618250.db2.gz SFMMZPMJQJFNGQ-UHFFFAOYSA-N 0 0 339.311 2.544 10 5 EFBERN C[C@H](O)C[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634651114 1100622281 /nfs/dbraw/zinc/62/22/81/1100622281.db2.gz XFGXKOLTFXNZHN-WCQYABFASA-N 0 0 340.807 2.943 10 5 EFBERN C[C@@]1(O)CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001634684239 1100624226 /nfs/dbraw/zinc/62/42/26/1100624226.db2.gz RDZYTHZDEPJCMA-OAHLLOKOSA-N 0 0 326.780 2.554 10 5 EFBERN COc1cc(O)ccc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001634741232 1100627873 /nfs/dbraw/zinc/62/78/73/1100627873.db2.gz SNGPFMVQJJTZIX-UHFFFAOYSA-N 0 0 344.323 2.911 10 5 EFBERN CC[C@@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC001634764442 1100628798 /nfs/dbraw/zinc/62/87/98/1100628798.db2.gz XVVXTJCNXOSLJL-GHMZBOCLSA-N 0 0 331.376 2.801 10 5 EFBERN CC[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC001634764443 1100628827 /nfs/dbraw/zinc/62/88/27/1100628827.db2.gz XVVXTJCNXOSLJL-MNOVXSKESA-N 0 0 331.376 2.801 10 5 EFBERN CC[C@@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC001634764445 1100628863 /nfs/dbraw/zinc/62/88/63/1100628863.db2.gz XVVXTJCNXOSLJL-WDEREUQCSA-N 0 0 331.376 2.801 10 5 EFBERN Nc1c(C(=O)N2Cc3cccnc3C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001634832423 1100631282 /nfs/dbraw/zinc/63/12/82/1100631282.db2.gz VDVWTTNLVQNYNQ-UHFFFAOYSA-N 0 0 336.710 2.521 10 5 EFBERN O=C(Cc1ccc(-n2ccnc2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001634842243 1100632697 /nfs/dbraw/zinc/63/26/97/1100632697.db2.gz CKCANCCJBMPWDS-UHFFFAOYSA-N 0 0 348.362 2.865 10 5 EFBERN Cc1noc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC001635051721 1100641865 /nfs/dbraw/zinc/64/18/65/1100641865.db2.gz OJCQEMUKIQXMGG-RRFJBIMHSA-N 0 0 342.355 2.753 10 5 EFBERN Nc1ncc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001635194267 1100648786 /nfs/dbraw/zinc/64/87/86/1100648786.db2.gz OYWBRXIMXOVZJD-WPRPVWTQSA-N 0 0 346.309 2.671 10 5 EFBERN C[C@@]1(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCCC[C@H]1O ZINC001635200087 1100648831 /nfs/dbraw/zinc/64/88/31/1100648831.db2.gz QVOKPDWZNCWBOX-DOMZBBRYSA-N 0 0 341.795 2.501 10 5 EFBERN O=C(NCCOc1cncc(Cl)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001635265549 1100652405 /nfs/dbraw/zinc/65/24/05/1100652405.db2.gz MKMSKYCCPKJZTP-UHFFFAOYSA-N 0 0 339.710 2.591 10 5 EFBERN O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001635295920 1100653145 /nfs/dbraw/zinc/65/31/45/1100653145.db2.gz ZACXJVOAEOBYQJ-AWEZNQCLSA-N 0 0 347.415 2.827 10 5 EFBERN O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001635295921 1100653187 /nfs/dbraw/zinc/65/31/87/1100653187.db2.gz ZACXJVOAEOBYQJ-CQSZACIVSA-N 0 0 347.415 2.827 10 5 EFBERN Cc1nc2ccc(NC(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)cn2n1 ZINC001635332661 1100655181 /nfs/dbraw/zinc/65/51/81/1100655181.db2.gz QCZZBONNJWLCDR-UHFFFAOYSA-N 0 0 345.746 2.781 10 5 EFBERN CNc1nccc(C(=O)N[C@@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC001635337422 1100655710 /nfs/dbraw/zinc/65/57/10/1100655710.db2.gz RSXPLMYWWFTALL-QMMMGPOBSA-N 0 0 336.298 2.801 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ncon1)C1CC1 ZINC001635405335 1100660871 /nfs/dbraw/zinc/66/08/71/1100660871.db2.gz MOLIOZVGYWHLGG-IUODEOHRSA-N 0 0 344.371 2.814 10 5 EFBERN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001635449560 1100662440 /nfs/dbraw/zinc/66/24/40/1100662440.db2.gz VGYMZUGZKZHVRR-DOMZBBRYSA-N 0 0 340.383 2.899 10 5 EFBERN CCCc1n[nH]c(C(=O)N(Cc2ccccn2)CC(C)C)c1[N+](=O)[O-] ZINC001635468613 1100663367 /nfs/dbraw/zinc/66/33/67/1100663367.db2.gz ROALHDYVWYPISD-UHFFFAOYSA-N 0 0 345.403 2.964 10 5 EFBERN O=C(N[C@@H]1CCCc2c[nH]nc21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001635598973 1100669471 /nfs/dbraw/zinc/66/94/71/1100669471.db2.gz LJJLZBHNLANVFA-OAHLLOKOSA-N 0 0 340.383 2.933 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001635618518 1100670365 /nfs/dbraw/zinc/67/03/65/1100670365.db2.gz LWPDQIXNJSLJOG-SFHVURJKSA-N 0 0 343.383 2.751 10 5 EFBERN C[C@@H](NC(=O)NCc1ncccc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001635786947 1100679388 /nfs/dbraw/zinc/67/93/88/1100679388.db2.gz BXENBSDBPSEOII-GFCCVEGCSA-N 0 0 343.387 2.616 10 5 EFBERN CC(C)(C(=O)N1CC[C@@H](c2ncccn2)C1)c1ccccc1[N+](=O)[O-] ZINC001635804577 1100681471 /nfs/dbraw/zinc/68/14/71/1100681471.db2.gz VIGHGAWOKOXIIC-CYBMUJFWSA-N 0 0 340.383 2.679 10 5 EFBERN Cc1cc(F)cc(C(=O)NCc2nc3c([nH]2)CCCC3)c1[N+](=O)[O-] ZINC001635855092 1100684471 /nfs/dbraw/zinc/68/44/71/1100684471.db2.gz ZIGGPHCAWISXBW-UHFFFAOYSA-N 0 0 332.335 2.574 10 5 EFBERN Cc1ccc(CNC(=O)c2[nH]cnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001635926183 1100687746 /nfs/dbraw/zinc/68/77/46/1100687746.db2.gz NFNWSGHLXNFLLD-UHFFFAOYSA-N 0 0 328.250 2.575 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001635927178 1100687965 /nfs/dbraw/zinc/68/79/65/1100687965.db2.gz UQOAIEHGWNLZCG-ZBEGNZNMSA-N 0 0 328.372 2.609 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)c[nH]c1=O ZINC001635990321 1100691084 /nfs/dbraw/zinc/69/10/84/1100691084.db2.gz DZWKMGLBHJFNNV-UHFFFAOYSA-N 0 0 334.307 2.907 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc2[nH]cnc21 ZINC001635990654 1100691130 /nfs/dbraw/zinc/69/11/30/1100691130.db2.gz MTQZSSKZIVHERN-UHFFFAOYSA-N 0 0 340.343 2.939 10 5 EFBERN C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001635992756 1100691856 /nfs/dbraw/zinc/69/18/56/1100691856.db2.gz BMOZDAVJAHTCRO-OAHLLOKOSA-N 0 0 338.747 2.565 10 5 EFBERN COc1cc(C(=O)NCc2c[nH]c(C(C)C)n2)cc([N+](=O)[O-])c1C ZINC001636017112 1100693452 /nfs/dbraw/zinc/69/34/52/1100693452.db2.gz YINXBNJFKPNFMW-UHFFFAOYSA-N 0 0 332.360 2.688 10 5 EFBERN COc1cc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1O ZINC001636015015 1100694000 /nfs/dbraw/zinc/69/40/00/1100694000.db2.gz XVMHIZIKXNYOCU-CABCVRRESA-N 0 0 342.351 2.729 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc2[nH]cnc2c1 ZINC001636039589 1100695389 /nfs/dbraw/zinc/69/53/89/1100695389.db2.gz GGKZCCYBCMCYBC-UHFFFAOYSA-N 0 0 344.758 2.983 10 5 EFBERN CNc1nccc(C(=O)N[C@@H](c2ccccc2)C(F)F)c1[N+](=O)[O-] ZINC001636155297 1100703333 /nfs/dbraw/zinc/70/33/33/1100703333.db2.gz RZTXQDFMROAIAX-NSHDSACASA-N 0 0 336.298 2.768 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(C(F)F)C1 ZINC001636204656 1100707060 /nfs/dbraw/zinc/70/70/60/1100707060.db2.gz XKRVDKZUBGIBKY-SSDOTTSWSA-N 0 0 334.706 2.739 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ncon1 ZINC001636262765 1100709928 /nfs/dbraw/zinc/70/99/28/1100709928.db2.gz OKAMBOMBGMGJEK-NSHDSACASA-N 0 0 336.735 2.537 10 5 EFBERN O=C(NC[C@@H]1CSc2ccccc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001636296936 1100712055 /nfs/dbraw/zinc/71/20/55/1100712055.db2.gz YHAUPKCGMQPDCB-MLGOLLRUSA-N 0 0 344.392 2.634 10 5 EFBERN CNC(=O)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001636310822 1100712881 /nfs/dbraw/zinc/71/28/81/1100712881.db2.gz SECQMGLNUTVUSN-UHFFFAOYSA-N 0 0 333.275 2.704 10 5 EFBERN O=C(Nc1cc2ccccn2n1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001636336428 1100714253 /nfs/dbraw/zinc/71/42/53/1100714253.db2.gz NCZASXHYTMPLMT-UHFFFAOYSA-N 0 0 348.322 2.885 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCOCc1ccc(Cl)cc1 ZINC001636347721 1100714343 /nfs/dbraw/zinc/71/43/43/1100714343.db2.gz MHFONDPIOODPKX-UHFFFAOYSA-N 0 0 349.774 2.777 10 5 EFBERN O=C(N[C@H]1CCCn2nccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001636440526 1100719257 /nfs/dbraw/zinc/71/92/57/1100719257.db2.gz DQZZACXLLIDKST-NSHDSACASA-N 0 0 325.328 2.538 10 5 EFBERN CC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)nc1C ZINC001636439540 1100719301 /nfs/dbraw/zinc/71/93/01/1100719301.db2.gz PPINAJANUCHPOV-UHFFFAOYSA-N 0 0 345.330 2.878 10 5 EFBERN O=C(N[C@@H]1CCCn2nccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001636440525 1100719398 /nfs/dbraw/zinc/71/93/98/1100719398.db2.gz DQZZACXLLIDKST-LLVKDONJSA-N 0 0 325.328 2.538 10 5 EFBERN CC(C)(CCC(=O)Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)[N+](=O)[O-] ZINC001636441275 1100719671 /nfs/dbraw/zinc/71/96/71/1100719671.db2.gz ZZWXHSVJEHXANE-UHFFFAOYSA-N 0 0 332.360 2.851 10 5 EFBERN CCC[C@@H](O)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001636444097 1100720250 /nfs/dbraw/zinc/72/02/50/1100720250.db2.gz PMXJAVKFHLRCCL-CQSZACIVSA-N 0 0 343.383 2.938 10 5 EFBERN CC[C@@H](NC(=O)c1ccn2nccc2n1)c1cccc([N+](=O)[O-])c1 ZINC001636458331 1100720401 /nfs/dbraw/zinc/72/04/01/1100720401.db2.gz ZYGSCPWCWSUFES-CYBMUJFWSA-N 0 0 325.328 2.519 10 5 EFBERN CNc1ccc(C(=O)NCC(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001636490884 1100721833 /nfs/dbraw/zinc/72/18/33/1100721833.db2.gz BIDYUVKDTQBNLE-UHFFFAOYSA-N 0 0 333.388 2.906 10 5 EFBERN O=C(Nc1c(O)cccc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001636560679 1100726380 /nfs/dbraw/zinc/72/63/80/1100726380.db2.gz MZGYCMWMIFMZIV-UHFFFAOYSA-N 0 0 336.687 2.935 10 5 EFBERN Cc1ncc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c(C(C)C)n1 ZINC001636723870 1100734183 /nfs/dbraw/zinc/73/41/83/1100734183.db2.gz DTSHBOWHFIYGML-UHFFFAOYSA-N 0 0 329.360 2.960 10 5 EFBERN Cc1ccc(NC(=O)CCc2cccc3c2OCO3)c(N)c1[N+](=O)[O-] ZINC001636723890 1100734317 /nfs/dbraw/zinc/73/43/17/1100734317.db2.gz FOMCOIYEFPWMPS-UHFFFAOYSA-N 0 0 343.339 2.785 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001636873371 1100742638 /nfs/dbraw/zinc/74/26/38/1100742638.db2.gz HQNLYGBXJVXFIR-SUMWQHHRSA-N 0 0 348.424 2.769 10 5 EFBERN O=C(NCc1cccc2c1OCCO2)c1cccc([N+](=O)[O-])c1Cl ZINC001636975662 1100747656 /nfs/dbraw/zinc/74/76/56/1100747656.db2.gz HCBQNJRRHJEALF-UHFFFAOYSA-N 0 0 348.742 2.949 10 5 EFBERN CC(C)(O)c1cnc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])s1 ZINC001637009436 1100751319 /nfs/dbraw/zinc/75/13/19/1100751319.db2.gz UZYLGPCYGNJXOX-UHFFFAOYSA-N 0 0 339.348 2.599 10 5 EFBERN CO[C@@](C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC001637056548 1100754207 /nfs/dbraw/zinc/75/42/07/1100754207.db2.gz VYRMCFDCGGMNHB-KRWDZBQOSA-N 0 0 347.346 2.608 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCCN(C)C1=O ZINC001637100070 1100757004 /nfs/dbraw/zinc/75/70/04/1100757004.db2.gz ZDCUUWQINCKZQT-CYBMUJFWSA-N 0 0 348.403 2.612 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\c1ccc(C=O)cc1 ZINC001637126918 1100758425 /nfs/dbraw/zinc/75/84/25/1100758425.db2.gz NRMHSSJNCSMHIQ-TWGQIWQCSA-N 0 0 340.335 2.746 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C/c1ccc(C=O)cc1 ZINC001637126917 1100758609 /nfs/dbraw/zinc/75/86/09/1100758609.db2.gz NRMHSSJNCSMHIQ-RMKNXTFCSA-N 0 0 340.335 2.746 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cnn(CC2CCC2)c1 ZINC001637139534 1100760813 /nfs/dbraw/zinc/76/08/13/1100760813.db2.gz ZDHZXXWHAOFQRG-NSHDSACASA-N 0 0 343.387 2.665 10 5 EFBERN Nc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001637194210 1100764236 /nfs/dbraw/zinc/76/42/36/1100764236.db2.gz DMFAPKPLUWMJSU-UHFFFAOYSA-N 0 0 327.340 2.683 10 5 EFBERN COc1cccc([C@@H](OC)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001637200533 1100764355 /nfs/dbraw/zinc/76/43/55/1100764355.db2.gz LWEZJVMNYYLRID-OAHLLOKOSA-N 0 0 331.328 2.512 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC001637214436 1100764947 /nfs/dbraw/zinc/76/49/47/1100764947.db2.gz XVYNLPVVKOQCCV-DJSGYFEHSA-N 0 0 336.363 2.808 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Cc1oc2ccccc2c1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001638047952 1100828385 /nfs/dbraw/zinc/82/83/85/1100828385.db2.gz ZQWWURYUWNOIKE-UHFFFAOYSA-N 0 0 326.312 2.557 10 5 EFBERN COc1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(N)c1F ZINC001638065621 1100829110 /nfs/dbraw/zinc/82/91/10/1100829110.db2.gz JGQXYMRBMXFQKC-VIFPVBQESA-N 0 0 333.319 2.816 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cccnc1SC(F)(F)F ZINC001638119354 1100835229 /nfs/dbraw/zinc/83/52/29/1100835229.db2.gz RWCKBHRWRCLHTH-UHFFFAOYSA-N 0 0 333.251 2.577 10 5 EFBERN O=C(CCc1ccccc1OC(F)(F)F)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001638119516 1100835519 /nfs/dbraw/zinc/83/55/19/1100835519.db2.gz ZUEXJVKRZDGCEU-UHFFFAOYSA-N 0 0 344.249 2.788 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[Si](C)(C)c1ccccc1 ZINC001638285200 1100846898 /nfs/dbraw/zinc/84/68/98/1100846898.db2.gz ROPCKEVSBMCIJZ-UHFFFAOYSA-N 0 0 346.434 2.927 10 5 EFBERN Nc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC001638381189 1100854369 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10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1n[nH]cc1Br ZINC001638772962 1100886189 /nfs/dbraw/zinc/88/61/89/1100886189.db2.gz YCKPRHAHBNUAGW-UHFFFAOYSA-N 0 0 339.149 2.950 10 5 EFBERN C[C@@H](C(=O)N1CCC(Cc2ncon2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001638838987 1100890104 /nfs/dbraw/zinc/89/01/04/1100890104.db2.gz ANXCWGNCRPQILY-GFCCVEGCSA-N 0 0 344.371 2.563 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](O)c1cccc(F)c1 ZINC001638892209 1100896071 /nfs/dbraw/zinc/89/60/71/1100896071.db2.gz GSQMSNLYERIHKA-HNNXBMFYSA-N 0 0 333.319 2.838 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)cc(OC)c1O ZINC001638896489 1100896625 /nfs/dbraw/zinc/89/66/25/1100896625.db2.gz QVSVCSGXLUVUOY-UHFFFAOYSA-N 0 0 331.328 2.911 10 5 EFBERN CCCc1nc(C)c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001638943119 1100900778 /nfs/dbraw/zinc/90/07/78/1100900778.db2.gz SFEIXTUGQBMMRK-UHFFFAOYSA-N 0 0 329.769 2.941 10 5 EFBERN CC[C@H](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(=O)OC ZINC001638978628 1100902554 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EFBERN Cc1ccc2nc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)cn2c1 ZINC001639087566 1100912242 /nfs/dbraw/zinc/91/22/42/1100912242.db2.gz FXPBSTFMBKDJLD-UHFFFAOYSA-N 0 0 346.293 2.759 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1Sc1nnnn1-c1ccccc1 ZINC001639178421 1100922362 /nfs/dbraw/zinc/92/23/62/1100922362.db2.gz UHEAXNAYFDSHNY-UHFFFAOYSA-N 0 0 334.748 2.770 10 5 EFBERN O=C(NCCc1c(F)cc(O)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001639198725 1100924056 /nfs/dbraw/zinc/92/40/56/1100924056.db2.gz HGRCLFOBKTWHHF-UHFFFAOYSA-N 0 0 340.257 2.690 10 5 EFBERN CC1(C)CC[C@@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)O1 ZINC001639214666 1100926221 /nfs/dbraw/zinc/92/62/21/1100926221.db2.gz VXISJOFTNOMOBB-VIFPVBQESA-N 0 0 327.768 2.518 10 5 EFBERN CC1(C)CCC[C@H](OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000840224050 1100927831 /nfs/dbraw/zinc/92/78/31/1100927831.db2.gz NAMNSMIYWAZTCX-ZDUSSCGKSA-N 0 0 339.319 2.804 10 5 EFBERN O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2cnccn2)C1 ZINC001639251467 1100929301 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EFBERN COC(=O)/C=C\c1ccc(NCCCCC(=O)OC)c([N+](=O)[O-])c1 ZINC001639371406 1100942553 /nfs/dbraw/zinc/94/25/53/1100942553.db2.gz YHTABUHXIVHSOF-CLFYSBASSA-N 0 0 336.344 2.536 10 5 EFBERN Cc1ccnc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001639457938 1100952062 /nfs/dbraw/zinc/95/20/62/1100952062.db2.gz NDELKNQIHLCLBM-UHFFFAOYSA-N 0 0 340.261 2.642 10 5 EFBERN CC(C)Oc1cc(C(=O)NC2(c3ncon3)CCC2)ccc1[N+](=O)[O-] ZINC001639464104 1100952958 /nfs/dbraw/zinc/95/29/58/1100952958.db2.gz YDSRJUXDALEVHP-UHFFFAOYSA-N 0 0 346.343 2.574 10 5 EFBERN CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCCC1 ZINC001639489342 1100955039 /nfs/dbraw/zinc/95/50/39/1100955039.db2.gz GXQROMVWXGAXOT-AWEZNQCLSA-N 0 0 337.376 2.555 10 5 EFBERN O=C(Nc1cc2cc[nH]c2cn1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001639481497 1100955473 /nfs/dbraw/zinc/95/54/73/1100955473.db2.gz MEAAWDQIUHIAPT-UHFFFAOYSA-N 0 0 349.306 2.977 10 5 EFBERN Cc1ccccc1O[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001639536158 1100958613 /nfs/dbraw/zinc/95/86/13/1100958613.db2.gz FRXBBPAIVFGKJS-LBPRGKRZSA-N 0 0 329.356 2.882 10 5 EFBERN O=c1ccn(-c2ccnc(-c3cccc(Cl)c3)n2)cc1[N+](=O)[O-] ZINC001639554903 1100960748 /nfs/dbraw/zinc/96/07/48/1100960748.db2.gz KOGBMCXIEMMSKU-UHFFFAOYSA-N 0 0 328.715 2.856 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC001639560238 1100961112 /nfs/dbraw/zinc/96/11/12/1100961112.db2.gz KHJQMCUKOOYRQB-QMMMGPOBSA-N 0 0 332.187 2.881 10 5 EFBERN Cc1cc(=O)[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC001639605826 1100966130 /nfs/dbraw/zinc/96/61/30/1100966130.db2.gz AFLQLUIVRYAQSO-UHFFFAOYSA-N 0 0 344.371 2.681 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](CO)CC1CCCC1 ZINC001639668942 1100972328 /nfs/dbraw/zinc/97/23/28/1100972328.db2.gz RQUISTKKWDTICN-CYBMUJFWSA-N 0 0 338.379 2.961 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cnc(Cl)cn1 ZINC001141841755 1100975794 /nfs/dbraw/zinc/97/57/94/1100975794.db2.gz QOOVTJJBAURBNB-UHFFFAOYSA-N 0 0 341.154 2.551 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@](C)(O)c1ccccc1 ZINC001639713033 1100977748 /nfs/dbraw/zinc/97/77/48/1100977748.db2.gz BUZKINRRLFHOAW-GTNSWQLSSA-N 0 0 332.331 2.760 10 5 EFBERN C[C@@]1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCCCO1 ZINC001639754552 1100980824 /nfs/dbraw/zinc/98/08/24/1100980824.db2.gz PZXHTYGXNQEWDV-AWEZNQCLSA-N 0 0 345.758 2.659 10 5 EFBERN C[C@]1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCCCO1 ZINC001639754553 1100981433 /nfs/dbraw/zinc/98/14/33/1100981433.db2.gz PZXHTYGXNQEWDV-CQSZACIVSA-N 0 0 345.758 2.659 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CCC(C)(C)O3)c2c1 ZINC001639825277 1100987779 /nfs/dbraw/zinc/98/77/79/1100987779.db2.gz XIXSXJPWTLNUGV-LBPRGKRZSA-N 0 0 331.372 2.943 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC001639848619 1100988633 /nfs/dbraw/zinc/98/86/33/1100988633.db2.gz AGBKKEBGCDVMJB-USXIJHARSA-N 0 0 347.415 2.723 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2nc[nH]c(=O)c21 ZINC001639887002 1100993245 /nfs/dbraw/zinc/99/32/45/1100993245.db2.gz VMHQPHZYZRKVAD-UHFFFAOYSA-N 0 0 339.311 2.538 10 5 EFBERN CNC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)c1 ZINC001639886563 1100993549 /nfs/dbraw/zinc/99/35/49/1100993549.db2.gz MFJBPTQXMUIYDZ-UHFFFAOYSA-N 0 0 343.343 2.640 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CO)cc1 ZINC001639896906 1100993934 /nfs/dbraw/zinc/99/39/34/1100993934.db2.gz GJYDXGBQZQIPEM-GFCCVEGCSA-N 0 0 346.408 2.884 10 5 EFBERN CC(C)[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn(C)c1 ZINC001639903272 1100995095 /nfs/dbraw/zinc/99/50/95/1100995095.db2.gz DXKQWWLADUGXJS-MRXNPFEDSA-N 0 0 341.371 2.937 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001639932310 1100997094 /nfs/dbraw/zinc/99/70/94/1100997094.db2.gz JYGQAUOVXCBSFF-LBPRGKRZSA-N 0 0 331.332 2.621 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC001640029173 1101007791 /nfs/dbraw/zinc/00/77/91/1101007791.db2.gz NCHKASCKKDKDNE-SNVBAGLBSA-N 0 0 325.727 2.970 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(O)cc1F ZINC001640046630 1101008470 /nfs/dbraw/zinc/00/84/70/1101008470.db2.gz UEYSVFIGBSKJLS-UHFFFAOYSA-N 0 0 326.230 2.648 10 5 EFBERN CCOc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cn1 ZINC001640046306 1101008542 /nfs/dbraw/zinc/00/85/42/1101008542.db2.gz FQZPXPPLTSNJDZ-UHFFFAOYSA-N 0 0 337.282 2.597 10 5 EFBERN C[C@@H]1C[C@@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])[C@@H](C)O1 ZINC001640039674 1101008737 /nfs/dbraw/zinc/00/87/37/1101008737.db2.gz PKLZWGMAEQVRBH-MXWKQRLJSA-N 0 0 346.343 2.699 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NCCNc2ncnc3sccc32)n1 ZINC001640090414 1101012378 /nfs/dbraw/zinc/01/23/78/1101012378.db2.gz CYZVZEARXFBTQY-UHFFFAOYSA-N 0 0 330.373 2.827 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001640093406 1101014072 /nfs/dbraw/zinc/01/40/72/1101014072.db2.gz VWGWYFDJZMYBFJ-DLBZAZTESA-N 0 0 343.383 2.521 10 5 EFBERN C[C@@]12CSC[C@@H]1CN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC001640120782 1101016093 /nfs/dbraw/zinc/01/60/93/1101016093.db2.gz VEUSFVYTJKEFBK-YVEFUNNKSA-N 0 0 345.424 2.830 10 5 EFBERN Cc1nc(NCCc2cccc3c2OC(F)(F)O3)ncc1[N+](=O)[O-] ZINC001640172891 1101019916 /nfs/dbraw/zinc/01/99/16/1101019916.db2.gz BMMMSZYAALNCTN-UHFFFAOYSA-N 0 0 338.270 2.669 10 5 EFBERN COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(OC)c1 ZINC001640177487 1101020115 /nfs/dbraw/zinc/02/01/15/1101020115.db2.gz BCRCEGMMXMZJNQ-JTQLQIEISA-N 0 0 345.355 2.884 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCc2cccnc21 ZINC001640174834 1101020426 /nfs/dbraw/zinc/02/04/26/1101020426.db2.gz YPJBYIBVCFIEHT-GFCCVEGCSA-N 0 0 329.331 2.897 10 5 EFBERN C[C@@H](Cc1ccccn1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001640195817 1101020850 /nfs/dbraw/zinc/02/08/50/1101020850.db2.gz RNURAAVEVMJGGK-NSHDSACASA-N 0 0 333.775 2.933 10 5 EFBERN C[C@H](Cc1ccccn1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001640195816 1101021561 /nfs/dbraw/zinc/02/15/61/1101021561.db2.gz RNURAAVEVMJGGK-LLVKDONJSA-N 0 0 333.775 2.933 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H](CC2CC2)C(=O)OC)c([N+](=O)[O-])c1 ZINC000840361826 1101025090 /nfs/dbraw/zinc/02/50/90/1101025090.db2.gz ZWNSFVAXCZCUCC-IZPAUZPXSA-N 0 0 348.355 2.535 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC001640228121 1101025228 /nfs/dbraw/zinc/02/52/28/1101025228.db2.gz PDBNCTACKAYUKT-MJHDQNEOSA-N 0 0 344.396 2.824 10 5 EFBERN Cc1nc2ccccn2c1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001640250224 1101029285 /nfs/dbraw/zinc/02/92/85/1101029285.db2.gz HRQWYZYEYYBTQD-UHFFFAOYSA-N 0 0 349.350 2.962 10 5 EFBERN CC(=O)c1ccc(NCc2ccc3oc(=O)n(C)c3c2)c([N+](=O)[O-])c1 ZINC001640254706 1101029612 /nfs/dbraw/zinc/02/96/12/1101029612.db2.gz GHECWNXOHSXURT-UHFFFAOYSA-N 0 0 341.323 2.854 10 5 EFBERN COC(=O)c1oc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc1C ZINC001640250977 1101029816 /nfs/dbraw/zinc/02/98/16/1101029816.db2.gz LCLKOUSKEROHNH-UHFFFAOYSA-N 0 0 338.291 2.526 10 5 EFBERN O=c1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]c2ccccc12 ZINC001640289693 1101033031 /nfs/dbraw/zinc/03/30/31/1101033031.db2.gz XJSZVVPEUDIKOF-UHFFFAOYSA-N 0 0 340.295 2.957 10 5 EFBERN Cc1ccc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC001640344804 1101037420 /nfs/dbraw/zinc/03/74/20/1101037420.db2.gz RROZHPKLQRHAFG-GFCCVEGCSA-N 0 0 349.412 2.947 10 5 EFBERN O=C(Nc1cc(Cl)cc2c[nH]nc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001640398227 1101042578 /nfs/dbraw/zinc/04/25/78/1101042578.db2.gz CDWKJEHNBROGQI-CQSZACIVSA-N 0 0 346.730 2.797 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1CC ZINC001640392807 1101042836 /nfs/dbraw/zinc/04/28/36/1101042836.db2.gz HTGHEVYFXNMXAT-ZUZCIYMTSA-N 0 0 328.315 2.852 10 5 EFBERN Cc1cc(F)cc(C(=O)Nc2nnc3[n-][nH+]c(C)c(C)c2-3)c1[N+](=O)[O-] ZINC001640407407 1101043825 /nfs/dbraw/zinc/04/38/25/1101043825.db2.gz KHRRRZJZAHIXJW-UHFFFAOYSA-N 0 0 344.306 2.578 10 5 EFBERN CS(=O)(=O)C1CCC(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001640415686 1101044763 /nfs/dbraw/zinc/04/47/63/1101044763.db2.gz QJSVJSGATQSZHN-UHFFFAOYSA-N 0 0 347.824 2.659 10 5 EFBERN COC(=O)c1cnc(CNc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC001640415682 1101044984 /nfs/dbraw/zinc/04/49/84/1101044984.db2.gz QFMNOBGCCFMWCK-UHFFFAOYSA-N 0 0 329.284 2.728 10 5 EFBERN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)nc1 ZINC001640415730 1101045208 /nfs/dbraw/zinc/04/52/08/1101045208.db2.gz JHBFGWZMUUANAQ-INIZCTEOSA-N 0 0 342.355 2.558 10 5 EFBERN C[C@@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCOC2(CCC2)C1 ZINC001640425414 1101045608 /nfs/dbraw/zinc/04/56/08/1101045608.db2.gz PBEWQRFSIKWFJG-MRXNPFEDSA-N 0 0 333.388 2.845 10 5 EFBERN C[C@](O)(CNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC001640432311 1101045960 /nfs/dbraw/zinc/04/59/60/1101045960.db2.gz YAKHSCUMZZJWQP-KRWDZBQOSA-N 0 0 342.330 2.997 10 5 EFBERN C[C@](O)(CNc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1 ZINC001640432338 1101046030 /nfs/dbraw/zinc/04/60/30/1101046030.db2.gz YWWVQHKELAADJW-AWEZNQCLSA-N 0 0 336.348 2.763 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H]2CC[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC001640425580 1101046192 /nfs/dbraw/zinc/04/61/92/1101046192.db2.gz VKCIRELNVVXPKQ-IVBLRQQYSA-N 0 0 348.355 2.535 10 5 EFBERN C[C@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCOC2(CCC2)C1 ZINC001640425413 1101046299 /nfs/dbraw/zinc/04/62/99/1101046299.db2.gz PBEWQRFSIKWFJG-INIZCTEOSA-N 0 0 333.388 2.845 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H]2CC[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC001640425579 1101046420 /nfs/dbraw/zinc/04/64/20/1101046420.db2.gz VKCIRELNVVXPKQ-FTBGMHHGSA-N 0 0 348.355 2.535 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@]1(OC)CCSC1 ZINC001640435057 1101046426 /nfs/dbraw/zinc/04/64/26/1101046426.db2.gz QFOWRGZOTLNRAS-HNNXBMFYSA-N 0 0 340.401 2.624 10 5 EFBERN CC(C)Oc1cc(C(=O)N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001640442210 1101047132 /nfs/dbraw/zinc/04/71/32/1101047132.db2.gz SCZKFYAUAHEQFN-QLFBSQMISA-N 0 0 348.399 2.615 10 5 EFBERN Cc1ccc(NCCNc2ncnc3sc([N+](=O)[O-])cc32)nc1 ZINC001640444614 1101048008 /nfs/dbraw/zinc/04/80/08/1101048008.db2.gz KXMGQMRIZLSWOR-UHFFFAOYSA-N 0 0 330.373 2.827 10 5 EFBERN CCOC(=O)c1ccnc(NCc2cccc3c2OCC3)c1[N+](=O)[O-] ZINC001640450162 1101048061 /nfs/dbraw/zinc/04/80/61/1101048061.db2.gz ZCUHLEKVSFKIGV-UHFFFAOYSA-N 0 0 343.339 2.714 10 5 EFBERN CC(=O)c1ccc(N2CCN(CC(C)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001640461429 1101049365 /nfs/dbraw/zinc/04/93/65/1101049365.db2.gz FHYXPYRZAWXFBS-UHFFFAOYSA-N 0 0 327.331 2.575 10 5 EFBERN CC(C)Oc1nc(N2CCN(CC(C)(F)F)CC2)ccc1[N+](=O)[O-] ZINC001640462646 1101050270 /nfs/dbraw/zinc/05/02/70/1101050270.db2.gz YEIKFWVIICLLQI-UHFFFAOYSA-N 0 0 344.362 2.554 10 5 EFBERN CCOC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001640481557 1101051033 /nfs/dbraw/zinc/05/10/33/1101051033.db2.gz PQAPLWFJCBBJQS-VIFPVBQESA-N 0 0 343.177 2.747 10 5 EFBERN C[C@]1(Cc2cccs2)CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001640481145 1101051693 /nfs/dbraw/zinc/05/16/93/1101051693.db2.gz AMUJMQILQKUXMQ-MRXNPFEDSA-N 0 0 346.412 2.752 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2ccccc2NC1=O ZINC001640486528 1101052126 /nfs/dbraw/zinc/05/21/26/1101052126.db2.gz QVOQQOWLNZJZAS-CQSZACIVSA-N 0 0 339.351 2.587 10 5 EFBERN O=C(NOCCOc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001640501767 1101053874 /nfs/dbraw/zinc/05/38/74/1101053874.db2.gz XWAMBVPPWZIZDD-UHFFFAOYSA-N 0 0 341.323 2.817 10 5 EFBERN CC(C)N(C[C@@H]1CCC(=O)N1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000840385884 1101055026 /nfs/dbraw/zinc/05/50/26/1101055026.db2.gz BJVHISACRLGHMJ-JTQLQIEISA-N 0 0 334.401 2.698 10 5 EFBERN CN(C)c1nccc2c1CN(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])CC2 ZINC001640535739 1101057009 /nfs/dbraw/zinc/05/70/09/1101057009.db2.gz ILTRYQADXNMQAV-UHFFFAOYSA-N 0 0 343.343 2.527 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001126560643 1101058791 /nfs/dbraw/zinc/05/87/91/1101058791.db2.gz YEYHIRGAAWPBMJ-UHFFFAOYSA-N 0 0 347.415 2.683 10 5 EFBERN Cc1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001640626000 1101066296 /nfs/dbraw/zinc/06/62/96/1101066296.db2.gz GWOWMKZUQQPMQF-TXEJJXNPSA-N 0 0 349.387 2.689 10 5 EFBERN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cnccn1 ZINC001640647778 1101068196 /nfs/dbraw/zinc/06/81/96/1101068196.db2.gz CSHLMQMEKFAHAF-UHFFFAOYSA-N 0 0 347.381 2.725 10 5 EFBERN Cn1cnnc1SCc1ccc(Br)cc1[N+](=O)[O-] ZINC001640680706 1101070534 /nfs/dbraw/zinc/07/05/34/1101070534.db2.gz DROMRNZYONFOGW-UHFFFAOYSA-N 0 0 329.179 2.778 10 5 EFBERN O=C(Nc1ccccc1Sc1ncccn1)c1c[nH]nc1[N+](=O)[O-] ZINC001640683018 1101071019 /nfs/dbraw/zinc/07/10/19/1101071019.db2.gz OAKKYQXPNWHJBR-UHFFFAOYSA-N 0 0 342.340 2.511 10 5 EFBERN CC(C)(C)OC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CCC1 ZINC001640710711 1101073095 /nfs/dbraw/zinc/07/30/95/1101073095.db2.gz AYEMCDATDDPBDI-UHFFFAOYSA-N 0 0 349.387 2.561 10 5 EFBERN CO[C@@H](Cc1ccccc1)CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001640724288 1101074375 /nfs/dbraw/zinc/07/43/75/1101074375.db2.gz HMEADIAWYJAAMP-INIZCTEOSA-N 0 0 349.408 2.935 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(C)o2)cc1OC ZINC001640800528 1101079418 /nfs/dbraw/zinc/07/94/18/1101079418.db2.gz QIBHUNIOKJXDMT-UHFFFAOYSA-N 0 0 335.316 2.859 10 5 EFBERN CCc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC001640860915 1101084458 /nfs/dbraw/zinc/08/44/58/1101084458.db2.gz ZSRNJNYRDIBQAR-MRXNPFEDSA-N 0 0 330.340 2.838 10 5 EFBERN CC(C)N(C)c1ccc(NC(=O)CCn2nccc2[N+](=O)[O-])cc1F ZINC001640861151 1101085065 /nfs/dbraw/zinc/08/50/65/1101085065.db2.gz JULWQKGRPRPKSI-UHFFFAOYSA-N 0 0 349.366 2.804 10 5 EFBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2oc(-c3ccccc3)cc2C1 ZINC001640911121 1101087118 /nfs/dbraw/zinc/08/71/18/1101087118.db2.gz DVRRXPCEIUPECS-UHFFFAOYSA-N 0 0 338.323 2.776 10 5 EFBERN CCc1ccc(OCC(=O)N2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001640919649 1101088360 /nfs/dbraw/zinc/08/83/60/1101088360.db2.gz WEQIGZPGCOWVDP-LBPRGKRZSA-N 0 0 336.388 2.562 10 5 EFBERN Cc1ncsc1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001641022992 1101096237 /nfs/dbraw/zinc/09/62/37/1101096237.db2.gz DUEWWVDGBNYOSF-UHFFFAOYSA-N 0 0 330.369 2.814 10 5 EFBERN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001641050761 1101097917 /nfs/dbraw/zinc/09/79/17/1101097917.db2.gz OCTVUAUTAJKLPU-KRWDZBQOSA-N 0 0 341.367 2.563 10 5 EFBERN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1cccc(F)n1 ZINC001641049916 1101098452 /nfs/dbraw/zinc/09/84/52/1101098452.db2.gz XIMNSXIMEDWUPX-UHFFFAOYSA-N 0 0 346.343 2.668 10 5 EFBERN O=C(NOc1ccc(F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001641055798 1101099373 /nfs/dbraw/zinc/09/93/73/1101099373.db2.gz ZFXFDGFNKYPJON-UHFFFAOYSA-N 0 0 342.286 2.643 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2O1 ZINC001641095582 1101101474 /nfs/dbraw/zinc/10/14/74/1101101474.db2.gz XXAIXICMRCDTEB-YMTOWFKASA-N 0 0 345.330 2.958 10 5 EFBERN O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001641086408 1101101619 /nfs/dbraw/zinc/10/16/19/1101101619.db2.gz SSRAXFSNBSMLTL-UHFFFAOYSA-N 0 0 349.306 2.565 10 5 EFBERN COc1ccc(C(=O)Nc2cc3oc(=O)[nH]c3cc2F)cc1[N+](=O)[O-] ZINC001641161826 1101109066 /nfs/dbraw/zinc/10/90/66/1101109066.db2.gz BPMIYACNMHWOIB-UHFFFAOYSA-N 0 0 347.258 2.842 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1c2ccccc2C[C@@H]1CO ZINC001641154553 1101109272 /nfs/dbraw/zinc/10/92/72/1101109272.db2.gz BXQHZZDPQDQFGP-CQSZACIVSA-N 0 0 346.770 2.741 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCc2ncn(-c3ccccc3)n2)c1 ZINC001641226290 1101116280 /nfs/dbraw/zinc/11/62/80/1101116280.db2.gz VENPZUZUHQZRPD-UHFFFAOYSA-N 0 0 326.312 2.763 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ncccc1OC(F)F ZINC001641234078 1101117103 /nfs/dbraw/zinc/11/71/03/1101117103.db2.gz KOTKYHRAJANYAU-UHFFFAOYSA-N 0 0 341.245 2.912 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@H](CO)c2ccccc21 ZINC001641232680 1101117456 /nfs/dbraw/zinc/11/74/56/1101117456.db2.gz GXWCUFBETMZGPS-SNVBAGLBSA-N 0 0 332.743 2.985 10 5 EFBERN CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001641270531 1101121164 /nfs/dbraw/zinc/12/11/64/1101121164.db2.gz IABHAVBHNRLRLI-UHFFFAOYSA-N 0 0 347.346 2.809 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2CSc3ccccc32)cc(F)cc1[N+](=O)[O-] ZINC001641333600 1101126513 /nfs/dbraw/zinc/12/65/13/1101126513.db2.gz LPICFQKEFNRLGO-SECBINFHSA-N 0 0 347.371 2.935 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c[nH]cc(Cl)c1=O ZINC001641338728 1101127705 /nfs/dbraw/zinc/12/77/05/1101127705.db2.gz VBZDWQCQFRFWDG-UHFFFAOYSA-N 0 0 349.774 2.689 10 5 EFBERN C/C(=C/C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000840540848 1101128325 /nfs/dbraw/zinc/12/83/25/1101128325.db2.gz DMANEFSYYAPAQP-OHXSVUBBSA-N 0 0 340.326 2.663 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(c2ccc(F)cc2)C1 ZINC001641355049 1101128333 /nfs/dbraw/zinc/12/83/33/1101128333.db2.gz DBPXDFYNPQBNCX-UHFFFAOYSA-N 0 0 333.294 2.695 10 5 EFBERN C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ncc[nH]1 ZINC001641435463 1101135942 /nfs/dbraw/zinc/13/59/42/1101135942.db2.gz PMMZQFORFMOANU-LLVKDONJSA-N 0 0 337.339 2.871 10 5 EFBERN Cn1cccc1C(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001641441152 1101136301 /nfs/dbraw/zinc/13/63/01/1101136301.db2.gz IWQOKMVDFXJLDC-UHFFFAOYSA-N 0 0 345.746 2.728 10 5 EFBERN O=C(COc1cc(Cl)c([N+](=O)[O-])cc1Cl)Nc1cnccn1 ZINC001641438302 1101136419 /nfs/dbraw/zinc/13/64/19/1101136419.db2.gz YPKZYYKLBBMZTN-UHFFFAOYSA-N 0 0 343.126 2.709 10 5 EFBERN Cn1c(Cl)cnc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001641466697 1101138308 /nfs/dbraw/zinc/13/83/08/1101138308.db2.gz BLQLSVGNZUXZPH-UHFFFAOYSA-N 0 0 329.143 2.565 10 5 EFBERN Cc1n[nH]nc1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001641490487 1101140854 /nfs/dbraw/zinc/14/08/54/1101140854.db2.gz WBYOEYWHRHJOQW-UHFFFAOYSA-N 0 0 334.094 2.720 10 5 EFBERN Cc1nocc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001641565946 1101146149 /nfs/dbraw/zinc/14/61/49/1101146149.db2.gz MNALTDMRXOSYDD-UHFFFAOYSA-N 0 0 329.234 2.840 10 5 EFBERN CC(C)(NC(=O)/C=C/[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC001641585811 1101148782 /nfs/dbraw/zinc/14/87/82/1101148782.db2.gz LJMQUDCQZKKABN-VMPCVLLUSA-N 0 0 334.372 2.654 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NOCc1cccc(C)n1 ZINC001641580742 1101148801 /nfs/dbraw/zinc/14/88/01/1101148801.db2.gz XQAUGSYYZQRHED-UHFFFAOYSA-N 0 0 333.369 2.882 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1c1cnn(C)c1 ZINC001641588714 1101148881 /nfs/dbraw/zinc/14/88/81/1101148881.db2.gz QUVSQTHKOZDQOI-OAHLLOKOSA-N 0 0 346.362 2.999 10 5 EFBERN CCO/C=C\C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000840587030 1101151463 /nfs/dbraw/zinc/15/14/63/1101151463.db2.gz IQNCNVKGMDBTGI-NMTCXDENSA-N 0 0 342.735 2.669 10 5 EFBERN CCO/C=C/C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000840592108 1101153397 /nfs/dbraw/zinc/15/33/97/1101153397.db2.gz WJUFXBZPIQPDGC-AAXQSMANSA-N 0 0 333.300 2.799 10 5 EFBERN CCO/C=C\C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000840592112 1101153568 /nfs/dbraw/zinc/15/35/68/1101153568.db2.gz WJUFXBZPIQPDGC-HSTULFTRSA-N 0 0 333.300 2.799 10 5 EFBERN O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001641663368 1101154053 /nfs/dbraw/zinc/15/40/53/1101154053.db2.gz ORHOYLGBIRDZOB-OAHLLOKOSA-N 0 0 325.324 2.798 10 5 EFBERN Cc1[nH][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001641715288 1101158929 /nfs/dbraw/zinc/15/89/29/1101158929.db2.gz CEXTWZPOLCYLNO-UHFFFAOYSA-N 0 0 330.222 2.603 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCc2ccc(O)cc21 ZINC001641725456 1101160126 /nfs/dbraw/zinc/16/01/26/1101160126.db2.gz DUCDEHVVRWPIGQ-OAHLLOKOSA-N 0 0 330.315 2.786 10 5 EFBERN COc1cc(C(=O)NCc2nc3ccccc3o2)c([N+](=O)[O-])cc1F ZINC001641745388 1101161139 /nfs/dbraw/zinc/16/11/39/1101161139.db2.gz DNOCAGBJRQLPEG-UHFFFAOYSA-N 0 0 345.286 2.814 10 5 EFBERN O=C(N[C@H]1CCc2ccc(Cl)cc21)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001641787590 1101164947 /nfs/dbraw/zinc/16/49/47/1101164947.db2.gz JRKJVBQBWDZWQL-ZDUSSCGKSA-N 0 0 333.731 2.766 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCCOC[C@H]1CCCO1 ZINC001641998690 1101182428 /nfs/dbraw/zinc/18/24/28/1101182428.db2.gz JCLOWCQPPTVAFR-CYBMUJFWSA-N 0 0 349.362 2.702 10 5 EFBERN CCOC(=O)CCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001642036407 1101184148 /nfs/dbraw/zinc/18/41/48/1101184148.db2.gz DJUSRZPLGMIVCQ-UHFFFAOYSA-N 0 0 337.763 2.974 10 5 EFBERN Cc1cccc(C)c1NC(=O)CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001642042974 1101185082 /nfs/dbraw/zinc/18/50/82/1101185082.db2.gz FXRXOJVHPJKZKU-UHFFFAOYSA-N 0 0 347.346 2.894 10 5 EFBERN COc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001642045254 1101185286 /nfs/dbraw/zinc/18/52/86/1101185286.db2.gz TUGUXJQXOZCVSB-LLVKDONJSA-N 0 0 329.356 2.900 10 5 EFBERN Nc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001642046059 1101185881 /nfs/dbraw/zinc/18/58/81/1101185881.db2.gz WABMFTSJHHEJNU-UHFFFAOYSA-N 0 0 326.234 2.843 10 5 EFBERN CS(C)(=O)=Nc1ccccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001642046338 1101186007 /nfs/dbraw/zinc/18/60/07/1101186007.db2.gz YOLNEXNZBFOGTK-UHFFFAOYSA-N 0 0 348.384 2.788 10 5 EFBERN COc1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1O ZINC001642088804 1101189499 /nfs/dbraw/zinc/18/94/99/1101189499.db2.gz HSPWATVWKFMITK-UHFFFAOYSA-N 0 0 334.303 2.687 10 5 EFBERN CN(Cc1cccc(Br)c1)c1nn(C)cc1[N+](=O)[O-] ZINC001642124251 1101190737 /nfs/dbraw/zinc/19/07/37/1101190737.db2.gz ZKSYFWAXORQLIF-UHFFFAOYSA-N 0 0 325.166 2.727 10 5 EFBERN C[C@H](c1ccccc1)[C@@H](O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001642163472 1101194403 /nfs/dbraw/zinc/19/44/03/1101194403.db2.gz KIDPLXMXKSEJQF-QOZRHJFISA-N 0 0 340.379 2.889 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCc3nccs3)c2c1 ZINC001642175527 1101195501 /nfs/dbraw/zinc/19/55/01/1101195501.db2.gz FGQZUDCXFNZNIQ-UHFFFAOYSA-N 0 0 330.369 2.685 10 5 EFBERN CN(CC[S@@](=O)C(F)(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001642226513 1101199406 /nfs/dbraw/zinc/19/94/06/1101199406.db2.gz HTMXSITZJKFKEU-OAQYLSRUSA-N 0 0 344.742 2.949 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCC(CCO)CC3)c2c1 ZINC001642234941 1101200894 /nfs/dbraw/zinc/20/08/94/1101200894.db2.gz BLZQZWXIIRKOIG-UHFFFAOYSA-N 0 0 346.343 2.650 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOC[C@@H]2c2ccccc2)n1 ZINC001126567593 1101204513 /nfs/dbraw/zinc/20/45/13/1101204513.db2.gz ALXXHMVAYBITBD-MRXNPFEDSA-N 0 0 327.340 2.512 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(N[C@H](CO)c2ccccc2)c2ccccc21 ZINC001642298798 1101205610 /nfs/dbraw/zinc/20/56/10/1101205610.db2.gz NCFHMMHKXIKKQT-CQSZACIVSA-N 0 0 339.351 2.592 10 5 EFBERN Cc1ccc([C@H](C)Nc2nc(N)nc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001642335113 1101207321 /nfs/dbraw/zinc/20/73/21/1101207321.db2.gz WYVXDOBLVYEKJI-ZETCQYMHSA-N 0 0 342.281 2.862 10 5 EFBERN CC(C)(C)N1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1=O ZINC001642376635 1101209384 /nfs/dbraw/zinc/20/93/84/1101209384.db2.gz CZARYISIPIWEOT-LBPRGKRZSA-N 0 0 332.404 2.680 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)c1 ZINC001642385187 1101209623 /nfs/dbraw/zinc/20/96/23/1101209623.db2.gz JVNCYIKUHSDKSE-HNNXBMFYSA-N 0 0 346.343 2.751 10 5 EFBERN O=[N+]([O-])c1cnc(NCCc2nnc(-c3ccccc3)o2)c(F)c1 ZINC001642365037 1101209828 /nfs/dbraw/zinc/20/98/28/1101209828.db2.gz QVGOHPDDWVPJAG-UHFFFAOYSA-N 0 0 329.291 2.834 10 5 EFBERN CNc1nccc(C(=O)Nc2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC001642404460 1101210781 /nfs/dbraw/zinc/21/07/81/1101210781.db2.gz STGCKEHHDSKKJW-UHFFFAOYSA-N 0 0 338.270 2.885 10 5 EFBERN COc1ccc(OC(F)F)c(CNc2nn(C)cc2[N+](=O)[O-])c1 ZINC001642437909 1101214125 /nfs/dbraw/zinc/21/41/25/1101214125.db2.gz RQXBHJCLSMEONR-UHFFFAOYSA-N 0 0 328.275 2.550 10 5 EFBERN Cc1nnc([C@@H](C)Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])s1 ZINC001642548114 1101221482 /nfs/dbraw/zinc/22/14/82/1101221482.db2.gz OQFQUEMORRNCDS-MRVPVSSYSA-N 0 0 345.384 2.780 10 5 EFBERN CCOC(=O)[C@](C)(O)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642548782 1101221833 /nfs/dbraw/zinc/22/18/33/1101221833.db2.gz ZSBXGDAOWVPCPS-GFCCVEGCSA-N 0 0 337.159 2.628 10 5 EFBERN CCN(CC(F)(F)F)C(=O)CN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001642543394 1101222010 /nfs/dbraw/zinc/22/20/10/1101222010.db2.gz IVTCHWDMULLNCB-UHFFFAOYSA-N 0 0 345.321 2.677 10 5 EFBERN CCc1cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1O ZINC001642692602 1101233008 /nfs/dbraw/zinc/23/30/08/1101233008.db2.gz OEHCSAIUKYRQQU-GOSISDBHSA-N 0 0 344.367 2.500 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H]2CS(=O)(=O)c3ccccc32)c(F)c1 ZINC001642715954 1101234860 /nfs/dbraw/zinc/23/48/60/1101234860.db2.gz GPPKCRMFHUPBGQ-JTQLQIEISA-N 0 0 336.344 2.717 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCc1c(Cl)cccc1-n1ccnc1 ZINC001642719806 1101235280 /nfs/dbraw/zinc/23/52/80/1101235280.db2.gz MVBPZRWZYZAWCD-UHFFFAOYSA-N 0 0 332.751 2.780 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@H]2CS(=O)(=O)c3ccccc32)c(F)c1 ZINC001642715955 1101235347 /nfs/dbraw/zinc/23/53/47/1101235347.db2.gz GPPKCRMFHUPBGQ-SNVBAGLBSA-N 0 0 336.344 2.717 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccnc(Cl)c1 ZINC001642764854 1101239267 /nfs/dbraw/zinc/23/92/67/1101239267.db2.gz WQSZUMZBLBYEAE-UHFFFAOYSA-N 0 0 344.758 2.914 10 5 EFBERN COc1cnc(F)c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 ZINC001642787855 1101242242 /nfs/dbraw/zinc/24/22/42/1101242242.db2.gz UIJPKYLGHXVLAN-UHFFFAOYSA-N 0 0 349.318 2.854 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc3n[nH]cc3c2)n1 ZINC001642789241 1101242511 /nfs/dbraw/zinc/24/25/11/1101242511.db2.gz KAKPLPWSKRDNOT-UHFFFAOYSA-N 0 0 330.325 2.804 10 5 EFBERN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H](Nc2ncccn2)C1 ZINC001642853047 1101248922 /nfs/dbraw/zinc/24/89/22/1101248922.db2.gz KUTIYIKXXPTWKV-LBPRGKRZSA-N 0 0 336.355 2.624 10 5 EFBERN Cn1cnc(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC001642857707 1101250269 /nfs/dbraw/zinc/25/02/69/1101250269.db2.gz BPDQXSGRIZORMI-UHFFFAOYSA-N 0 0 338.371 2.830 10 5 EFBERN C[C@@H](Nc1c(Br)cccc1[N+](=O)[O-])c1nccc(N)n1 ZINC001642865848 1101250419 /nfs/dbraw/zinc/25/04/19/1101250419.db2.gz AFNSNOUTFXKRDM-SSDOTTSWSA-N 0 0 338.165 2.903 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C)C(C)(C)C1 ZINC001642878256 1101252770 /nfs/dbraw/zinc/25/27/70/1101252770.db2.gz XGEJYURNFPWTGU-UHFFFAOYSA-N 0 0 341.795 2.565 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1cn(C)c2ncccc12 ZINC001642929173 1101257915 /nfs/dbraw/zinc/25/79/15/1101257915.db2.gz IGOWMGQJXHXSLV-UHFFFAOYSA-N 0 0 338.367 2.762 10 5 EFBERN Cc1nc([C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])c2cnn(C)c2)no1 ZINC001643036592 1101264891 /nfs/dbraw/zinc/26/48/91/1101264891.db2.gz SILULXHXJFONNF-CYBMUJFWSA-N 0 0 348.750 2.875 10 5 EFBERN Cc1nc([C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])c2cnn(C)c2)no1 ZINC001643036593 1101265251 /nfs/dbraw/zinc/26/52/51/1101265251.db2.gz SILULXHXJFONNF-ZDUSSCGKSA-N 0 0 348.750 2.875 10 5 EFBERN Cc1cc(NCC[C@@]2(O)C(=O)Nc3ccccc32)c([N+](=O)[O-])s1 ZINC001643125129 1101271926 /nfs/dbraw/zinc/27/19/26/1101271926.db2.gz BXJSIYMQVQZRHM-HNNXBMFYSA-N 0 0 333.369 2.607 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H](C(=O)OC)c2ccccc21 ZINC001643120885 1101272254 /nfs/dbraw/zinc/27/22/54/1101272254.db2.gz BMBONJLTLXUCMJ-KGLIPLIRSA-N 0 0 344.371 2.933 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC(Nc2ccc(F)cc2)C1 ZINC001643129672 1101272750 /nfs/dbraw/zinc/27/27/50/1101272750.db2.gz HOBZCGNHSGVUPS-UHFFFAOYSA-N 0 0 347.321 2.738 10 5 EFBERN CCOC(=O)[C@@]1(F)CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1CC ZINC001643168005 1101277268 /nfs/dbraw/zinc/27/72/68/1101277268.db2.gz NRPNUQFOYDMBBK-LKFCYVNXSA-N 0 0 345.758 2.761 10 5 EFBERN CCOc1cccnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001643187415 1101277945 /nfs/dbraw/zinc/27/79/45/1101277945.db2.gz OBBKHHFPWUXVPP-UHFFFAOYSA-N 0 0 328.372 2.715 10 5 EFBERN Cn1ccc(C2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)n1 ZINC001643203484 1101278947 /nfs/dbraw/zinc/27/89/47/1101278947.db2.gz WHEXMFMYIKWCAV-UHFFFAOYSA-N 0 0 331.332 2.621 10 5 EFBERN O=[N+]([O-])c1ccc2ncnc(N[C@@H](CO)CCc3ccccc3)c2c1 ZINC001643199945 1101279140 /nfs/dbraw/zinc/27/91/40/1101279140.db2.gz PHCIFAJKKXIIBF-CQSZACIVSA-N 0 0 338.367 2.944 10 5 EFBERN Nc1noc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3Cl)ccc12 ZINC001643210673 1101280550 /nfs/dbraw/zinc/28/05/50/1101280550.db2.gz NSKBWCOUPRCSHD-UHFFFAOYSA-N 0 0 346.730 2.902 10 5 EFBERN CNc1cc(CNc2ncc([N+](=O)[O-])cc2Br)ccn1 ZINC001643214247 1101280630 /nfs/dbraw/zinc/28/06/30/1101280630.db2.gz VTZJOTVKFULKQN-UHFFFAOYSA-N 0 0 338.165 2.801 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H]2CCS(=O)(=O)C3(CCC3)C2)c(Cl)c1 ZINC001643217603 1101281303 /nfs/dbraw/zinc/28/13/03/1101281303.db2.gz ZXEXWVGFSVQRPO-VIFPVBQESA-N 0 0 345.808 2.555 10 5 EFBERN CCc1nc(CNc2ncc([N+](=O)[O-])cc2Br)c[nH]1 ZINC001643237162 1101283652 /nfs/dbraw/zinc/28/36/52/1101283652.db2.gz GPJLBWZLMZOUNN-UHFFFAOYSA-N 0 0 326.154 2.650 10 5 EFBERN CCc1noc([C@@H]2CC[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])C2)n1 ZINC001643270927 1101286121 /nfs/dbraw/zinc/28/61/21/1101286121.db2.gz UFERSUBNSNIHMB-MNOVXSKESA-N 0 0 342.359 2.936 10 5 EFBERN Cn1c2ccccc2c(N2C[C@H]3CSC[C@@]3(C)C2)c([N+](=O)[O-])c1=O ZINC001643279074 1101286829 /nfs/dbraw/zinc/28/68/29/1101286829.db2.gz PAPUHQSXZDQHIT-APPDUMDISA-N 0 0 345.424 2.636 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(OC)CCCCCC2)n1 ZINC001643287224 1101287718 /nfs/dbraw/zinc/28/77/18/1101287718.db2.gz SZFKSHMIYYTOSY-UHFFFAOYSA-N 0 0 337.376 2.928 10 5 EFBERN Nc1nccc2c1CN(c1ccc([N+](=O)[O-])cc1Br)CC2 ZINC001643302182 1101288191 /nfs/dbraw/zinc/28/81/91/1101288191.db2.gz RNVZWQFBTPVGTB-UHFFFAOYSA-N 0 0 349.188 2.897 10 5 EFBERN Cc1cc(Cl)c(C(=O)NCc2nc(C(F)F)no2)cc1[N+](=O)[O-] ZINC001643296946 1101288626 /nfs/dbraw/zinc/28/86/26/1101288626.db2.gz QCALKTZRWJWLDT-UHFFFAOYSA-N 0 0 346.677 2.807 10 5 EFBERN O=[N+]([O-])c1ccc(NCC[C@H](NC2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001643292144 1101288834 /nfs/dbraw/zinc/28/88/34/1101288834.db2.gz ZHJBPNOJMXCGTA-LBPRGKRZSA-N 0 0 348.281 2.988 10 5 EFBERN O=c1[nH]ccc(N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001643327179 1101290959 /nfs/dbraw/zinc/29/09/59/1101290959.db2.gz IMEZWOQRXUWBQD-GUYCJALGSA-N 0 0 343.339 2.790 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001643393227 1101295499 /nfs/dbraw/zinc/29/54/99/1101295499.db2.gz UENQIUNRGFQATC-GFCCVEGCSA-N 0 0 329.139 2.797 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC001643406862 1101297057 /nfs/dbraw/zinc/29/70/57/1101297057.db2.gz QTDXFMQNGWMLIQ-QGZVFWFLSA-N 0 0 349.350 2.501 10 5 EFBERN COc1ccc(C(=O)CNC(=O)C=Cc2cccs2)cc1[N+](=O)[O-] ZINC001643419651 1101298200 /nfs/dbraw/zinc/29/82/00/1101298200.db2.gz MZHVQXFDZIOUEM-FNORWQNLSA-N 0 0 346.364 2.677 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c1[N+](=O)[O-] ZINC001643473608 1101303157 /nfs/dbraw/zinc/30/31/57/1101303157.db2.gz QZJPCNAOQFEONO-DGCLKSJQSA-N 0 0 332.335 2.636 10 5 EFBERN CN(C)c1cncc(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1 ZINC001651315219 1101308054 /nfs/dbraw/zinc/30/80/54/1101308054.db2.gz LJJDFHSJMZOZTI-UHFFFAOYSA-N 0 0 341.371 2.692 10 5 EFBERN Cc1cc(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001651321635 1101308112 /nfs/dbraw/zinc/30/81/12/1101308112.db2.gz ZUSNGFRFEMTYKW-IAGOWNOFSA-N 0 0 332.331 2.671 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001651320396 1101308914 /nfs/dbraw/zinc/30/89/14/1101308914.db2.gz ALUVZTKZZZVCDX-HZPDHXFCSA-N 0 0 334.759 2.877 10 5 EFBERN COc1c(C(=O)NCc2ccc(O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC001651348874 1101313858 /nfs/dbraw/zinc/31/38/58/1101313858.db2.gz FQIJBLJURPBGSE-UHFFFAOYSA-N 0 0 336.731 2.892 10 5 EFBERN Cc1cnc(Nc2cccc([C@@]3(C)COC(=O)N3)c2)c([N+](=O)[O-])c1 ZINC001651372876 1101319040 /nfs/dbraw/zinc/31/90/40/1101319040.db2.gz CQIQLDWMWXJHGZ-MRXNPFEDSA-N 0 0 328.328 2.997 10 5 EFBERN Cn1cnnc1[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001651380971 1101320234 /nfs/dbraw/zinc/32/02/34/1101320234.db2.gz QVISLWGDSLMZSN-SECBINFHSA-N 0 0 341.293 2.736 10 5 EFBERN CC[C@H](C)C(=O)Nc1cccc(CNc2c([N+](=O)[O-])cnn2C)c1 ZINC001651390138 1101321773 /nfs/dbraw/zinc/32/17/73/1101321773.db2.gz RDNYXDIWIYPXIN-NSHDSACASA-N 0 0 331.376 2.925 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001651402374 1101322132 /nfs/dbraw/zinc/32/21/32/1101322132.db2.gz PEASUPDYZLCNSR-GFCCVEGCSA-N 0 0 342.355 2.534 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001651395720 1101322303 /nfs/dbraw/zinc/32/23/03/1101322303.db2.gz GWAUGSQJPMHCMY-OIBJUYFYSA-N 0 0 339.701 2.977 10 5 EFBERN COC(=O)[C@@H](F)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001651408639 1101323807 /nfs/dbraw/zinc/32/38/07/1101323807.db2.gz BCIIBDZHXPCHLY-ZDUSSCGKSA-N 0 0 346.314 2.749 10 5 EFBERN CC(C)(CNc1ccc([N+](=O)[O-])c2cccnc12)CS(C)(=O)=O ZINC001651403970 1101324065 /nfs/dbraw/zinc/32/40/65/1101324065.db2.gz VZBFARXZUKWLBM-UHFFFAOYSA-N 0 0 337.401 2.626 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC001625792762 1101326066 /nfs/dbraw/zinc/32/60/66/1101326066.db2.gz DVFCQUHMOHCTRO-UHFFFAOYSA-N 0 0 341.323 2.740 10 5 EFBERN O=[N+]([O-])c1c(NCCc2cccc3c2OCCO3)nc2sccn21 ZINC001651446864 1101330137 /nfs/dbraw/zinc/33/01/37/1101330137.db2.gz MKNGCMJAQUWLEX-UHFFFAOYSA-N 0 0 346.368 2.730 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC001651489492 1101337098 /nfs/dbraw/zinc/33/70/98/1101337098.db2.gz OESIZJSWWUOBII-UHFFFAOYSA-N 0 0 348.750 2.686 10 5 EFBERN C[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)C2)c1ccc([N+](=O)[O-])cc1F ZINC001625793556 1101337894 /nfs/dbraw/zinc/33/78/94/1101337894.db2.gz NJBWFCLPUPQKAV-SECBINFHSA-N 0 0 343.314 2.971 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2CCCC(C)(C)O2)c1[N+](=O)[O-] ZINC001651492925 1101338252 /nfs/dbraw/zinc/33/82/52/1101338252.db2.gz RPQXBFFVZHXVPJ-NSHDSACASA-N 0 0 337.376 2.844 10 5 EFBERN COc1nn(C)cc1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001651504440 1101339919 /nfs/dbraw/zinc/33/99/19/1101339919.db2.gz MSPAFVKHBPJJMH-UHFFFAOYSA-N 0 0 348.750 2.546 10 5 EFBERN COC(=O)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccc(C)cc1 ZINC001651503239 1101340255 /nfs/dbraw/zinc/34/02/55/1101340255.db2.gz JIUYEZNVTOGEDF-LBPRGKRZSA-N 0 0 349.774 2.742 10 5 EFBERN Cn1ccnc1[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001651501125 1101340536 /nfs/dbraw/zinc/34/05/36/1101340536.db2.gz OVMRRNAQKXWVIZ-ZDUSSCGKSA-N 0 0 346.297 2.598 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1N1CC(c2n[nH]c3c2COCC3)C1 ZINC001651521743 1101342188 /nfs/dbraw/zinc/34/21/88/1101342188.db2.gz FSIZMRONJMPZAM-UHFFFAOYSA-N 0 0 334.763 2.648 10 5 EFBERN O=[N+]([O-])c1cnc(NC[C@@](O)(c2ccccc2)C(F)(F)F)c(F)c1 ZINC001651532494 1101343425 /nfs/dbraw/zinc/34/34/25/1101343425.db2.gz BGZLJEITAPYMQV-CYBMUJFWSA-N 0 0 345.252 2.991 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1COc1ccc(Br)cc1 ZINC001651579173 1101352249 /nfs/dbraw/zinc/35/22/49/1101352249.db2.gz QCIBEOQSHYLJGU-UHFFFAOYSA-N 0 0 325.118 2.556 10 5 EFBERN O=C(CCNc1c(Cl)cncc1[N+](=O)[O-])OCc1ccccc1 ZINC001651616419 1101355022 /nfs/dbraw/zinc/35/50/22/1101355022.db2.gz HNZXHOFBLVNIPY-UHFFFAOYSA-N 0 0 335.747 2.611 10 5 EFBERN O=C1c2ccccc2C(=O)N1OCCCOc1ccccc1[N+](=O)[O-] ZINC001651620983 1101355044 /nfs/dbraw/zinc/35/50/44/1101355044.db2.gz HLTJYMMKRJLXGS-UHFFFAOYSA-N 0 0 342.307 2.592 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001651652982 1101361057 /nfs/dbraw/zinc/36/10/57/1101361057.db2.gz WZNNIBJLWLNGSD-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN O=C1[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CN1c1ccccc1 ZINC001651682608 1101366965 /nfs/dbraw/zinc/36/69/65/1101366965.db2.gz CQHMOIOQDFYZPC-OAHLLOKOSA-N 0 0 334.335 2.970 10 5 EFBERN O=C1[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CN1c1ccccc1 ZINC001651682607 1101367093 /nfs/dbraw/zinc/36/70/93/1101367093.db2.gz CQHMOIOQDFYZPC-HNNXBMFYSA-N 0 0 334.335 2.970 10 5 EFBERN C[C@@H](NC(=O)c1ccc(N(C)C)c(C=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC001651701532 1101370612 /nfs/dbraw/zinc/37/06/12/1101370612.db2.gz KOLSHDLNRPKEGP-GFCCVEGCSA-N 0 0 341.367 2.964 10 5 EFBERN CCn1c(=O)c(Oc2ccc([N+](=O)[O-])c(CO)c2)nc2ccccc21 ZINC001651744311 1101374885 /nfs/dbraw/zinc/37/48/85/1101374885.db2.gz MVFZSHZTIWMPDE-UHFFFAOYSA-N 0 0 341.323 2.609 10 5 EFBERN Cc1cccc(-n2nnnc2SCc2cccnc2[N+](=O)[O-])c1C ZINC001651736040 1101374978 /nfs/dbraw/zinc/37/49/78/1101374978.db2.gz OHKBVDCLQGUOIV-UHFFFAOYSA-N 0 0 342.384 2.875 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC001651750317 1101376637 /nfs/dbraw/zinc/37/66/37/1101376637.db2.gz BNAVMHCFFCMDSF-UHFFFAOYSA-N 0 0 330.369 2.895 10 5 EFBERN COC(=O)c1ccnc(NCCC2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001651746646 1101377061 /nfs/dbraw/zinc/37/70/61/1101377061.db2.gz LRZZOPGBNFVBET-UHFFFAOYSA-N 0 0 341.367 2.993 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001651754667 1101377073 /nfs/dbraw/zinc/37/70/73/1101377073.db2.gz CDVLEKVEKGCTPT-ATCWAGBWSA-N 0 0 328.372 2.566 10 5 EFBERN CC(C)(O)c1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001651767710 1101379409 /nfs/dbraw/zinc/37/94/09/1101379409.db2.gz SUCVUOOWNOSIPV-UHFFFAOYSA-N 0 0 329.356 2.533 10 5 EFBERN Cn1ccc(-c2nc(COc3cc(C=O)ccc3[N+](=O)[O-])cs2)n1 ZINC001651787460 1101381892 /nfs/dbraw/zinc/38/18/92/1101381892.db2.gz ZGXYFXWAQJBVPR-UHFFFAOYSA-N 0 0 344.352 2.843 10 5 EFBERN NC(=O)c1cc(N2CC[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001651801475 1101385268 /nfs/dbraw/zinc/38/52/68/1101385268.db2.gz XBNWJKUWBGCCRP-LBPRGKRZSA-N 0 0 329.331 2.827 10 5 EFBERN C[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001299153960 1101390760 /nfs/dbraw/zinc/39/07/60/1101390760.db2.gz PGJPCUBNRGUKIE-ZETCQYMHSA-N 0 0 338.726 2.856 10 5 EFBERN Cc1cnc(OCc2nnc(-c3cccc(O)c3)o2)c([N+](=O)[O-])c1 ZINC001651840476 1101393063 /nfs/dbraw/zinc/39/30/63/1101393063.db2.gz PVRRITBTCGICLQ-UHFFFAOYSA-N 0 0 328.284 2.633 10 5 EFBERN COc1cccc(-c2nnc(COc3ncc(C)cc3[N+](=O)[O-])o2)c1 ZINC001651840493 1101393365 /nfs/dbraw/zinc/39/33/65/1101393365.db2.gz QSLPMVJJJDVZQO-UHFFFAOYSA-N 0 0 342.311 2.936 10 5 EFBERN O=c1c(F)cc([N+](=O)[O-])cn1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001307361580 1101395655 /nfs/dbraw/zinc/39/56/55/1101395655.db2.gz MJXHWUZHSJBUSQ-LBPRGKRZSA-N 0 0 347.129 2.936 10 5 EFBERN COc1ccc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])nn1 ZINC001651855035 1101395800 /nfs/dbraw/zinc/39/58/00/1101395800.db2.gz IGYVOFGHFUGDMO-UHFFFAOYSA-N 0 0 345.746 2.629 10 5 EFBERN NC(=O)c1cc(NCc2ccnc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001651864326 1101397676 /nfs/dbraw/zinc/39/76/76/1101397676.db2.gz SHVKABJTJFWWKF-UHFFFAOYSA-N 0 0 340.261 2.720 10 5 EFBERN Nc1ncccc1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001651860332 1101397859 /nfs/dbraw/zinc/39/78/59/1101397859.db2.gz HDBPZELZKUUZHK-UHFFFAOYSA-N 0 0 330.735 2.781 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccc(-c2ccccn2)nc1 ZINC001651867170 1101398100 /nfs/dbraw/zinc/39/81/00/1101398100.db2.gz NTDAMUXWSHEOND-UHFFFAOYSA-N 0 0 342.742 2.915 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCc2c(Cl)cccc2-n2ccnc2)n1 ZINC001651881673 1101399204 /nfs/dbraw/zinc/39/92/04/1101399204.db2.gz ICVIBNYWIHLKDE-UHFFFAOYSA-N 0 0 332.751 2.780 10 5 EFBERN CC[C@H]1CCCC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001651896712 1101401416 /nfs/dbraw/zinc/40/14/16/1101401416.db2.gz JGZVMZCIWCCPNR-KBPBESRZSA-N 0 0 349.435 2.850 10 5 EFBERN O=[N+]([O-])c1c(NC[C@@H](CO)c2ccc(F)cc2)nc2sccn21 ZINC001651945794 1101409578 /nfs/dbraw/zinc/40/95/78/1101409578.db2.gz NSZJGCOYRQANCH-JTQLQIEISA-N 0 0 336.348 2.631 10 5 EFBERN O=[N+]([O-])c1c(NC[C@H](CO)c2ccc(F)cc2)nc2sccn21 ZINC001651945795 1101409737 /nfs/dbraw/zinc/40/97/37/1101409737.db2.gz NSZJGCOYRQANCH-SNVBAGLBSA-N 0 0 336.348 2.631 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOc1cc(F)c([N+](=O)[O-])cc1Cl ZINC001651971216 1101412871 /nfs/dbraw/zinc/41/28/71/1101412871.db2.gz FHAVRLPWBYGMQC-UHFFFAOYSA-N 0 0 344.686 2.879 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ncccn3)C2)c2ccncc21 ZINC001651981086 1101413504 /nfs/dbraw/zinc/41/35/04/1101413504.db2.gz DZKCBHXYQJTSKS-GFCCVEGCSA-N 0 0 336.355 2.624 10 5 EFBERN O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1scnc1Cl ZINC001651971433 1101413617 /nfs/dbraw/zinc/41/36/17/1101413617.db2.gz KZIZSFBDSKEIPK-UHFFFAOYSA-N 0 0 328.762 2.524 10 5 EFBERN Cc1noc(CCC(=O)OCCSc2ccc([N+](=O)[O-])cc2)n1 ZINC000784939367 1101413984 /nfs/dbraw/zinc/41/39/84/1101413984.db2.gz SXPTXLTWVMBNBX-UHFFFAOYSA-N 0 0 337.357 2.554 10 5 EFBERN COc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC001651993986 1101414594 /nfs/dbraw/zinc/41/45/94/1101414594.db2.gz QPQVOOJTXCXKCU-UHFFFAOYSA-N 0 0 338.266 2.899 10 5 EFBERN O=c1cc([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)[nH][nH]1 ZINC001652004057 1101417227 /nfs/dbraw/zinc/41/72/27/1101417227.db2.gz FEISGPHMJNTXFE-SNVBAGLBSA-N 0 0 325.328 2.566 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cc(C(F)F)on1 ZINC001652050227 1101426459 /nfs/dbraw/zinc/42/64/59/1101426459.db2.gz QSXNFGCTSQWMKC-UHFFFAOYSA-N 0 0 329.234 2.898 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC001652061194 1101427923 /nfs/dbraw/zinc/42/79/23/1101427923.db2.gz TXPPMZVPGJMCFV-UHFFFAOYSA-N 0 0 338.266 2.899 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H](n3cccn3)C(F)(F)F)nc2c1 ZINC001652079402 1101430383 /nfs/dbraw/zinc/43/03/83/1101430383.db2.gz VBVHOVBJTPNINW-LLVKDONJSA-N 0 0 340.265 2.883 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCc3ccnc(F)c3)c2c1 ZINC001652092930 1101434162 /nfs/dbraw/zinc/43/41/62/1101434162.db2.gz LMENBBAQLZHCPP-UHFFFAOYSA-N 0 0 343.274 2.619 10 5 EFBERN O=c1[nH]cccc1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001652101779 1101435562 /nfs/dbraw/zinc/43/55/62/1101435562.db2.gz UBMSLPOHZVHALF-UHFFFAOYSA-N 0 0 330.731 2.931 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1C ZINC001652124691 1101439076 /nfs/dbraw/zinc/43/90/76/1101439076.db2.gz ANZXSZKEURACII-GPMVNZHBSA-N 0 0 346.383 2.915 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001652124682 1101439391 /nfs/dbraw/zinc/43/93/91/1101439391.db2.gz ABDLJCFPTDHXSM-SQXIKUFJSA-N 0 0 332.356 2.525 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(NCC[C@H](O)C3CCCC3)cc2N1 ZINC001652148549 1101443206 /nfs/dbraw/zinc/44/32/06/1101443206.db2.gz WCFXXDOEQXEUHU-INIZCTEOSA-N 0 0 333.388 2.833 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@@H]2CCC(C)(C)CO2)c1[N+](=O)[O-] ZINC001652171574 1101447963 /nfs/dbraw/zinc/44/79/63/1101447963.db2.gz RFPKVCHDIXSRAZ-NSHDSACASA-N 0 0 337.376 2.702 10 5 EFBERN Cc1cc(CO)cc(C)c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001652199286 1101451087 /nfs/dbraw/zinc/45/10/87/1101451087.db2.gz OPBFPGWFBRVRMY-UHFFFAOYSA-N 0 0 332.331 2.773 10 5 EFBERN Cc1cnc(C)c(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001652231561 1101456917 /nfs/dbraw/zinc/45/69/17/1101456917.db2.gz SIGDTDAVAXPULQ-UHFFFAOYSA-N 0 0 326.360 2.923 10 5 EFBERN CCN(C(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001652234239 1101457156 /nfs/dbraw/zinc/45/71/56/1101457156.db2.gz ULATULXFSNIQAH-UHFFFAOYSA-N 0 0 344.327 2.968 10 5 EFBERN NC(=O)c1cc(N2CCC[C@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC001652246072 1101458766 /nfs/dbraw/zinc/45/87/66/1101458766.db2.gz YMISWBDUPMTKFC-LLVKDONJSA-N 0 0 346.412 2.609 10 5 EFBERN O=C(COc1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1ccccc1 ZINC001652249710 1101460548 /nfs/dbraw/zinc/46/05/48/1101460548.db2.gz OJLYDJSVYAITAR-UHFFFAOYSA-N 0 0 329.308 2.557 10 5 EFBERN CC(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001670666127 1101460483 /nfs/dbraw/zinc/46/04/83/1101460483.db2.gz XTZNBFMFQNTFQI-UHFFFAOYSA-N 0 0 340.339 2.783 10 5 EFBERN C[C@H]1COCCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001652254540 1101461123 /nfs/dbraw/zinc/46/11/23/1101461123.db2.gz AEICGMZHDKTVGM-SNVBAGLBSA-N 0 0 332.316 2.524 10 5 EFBERN Cc1cc(N2CC(=O)NC[C@@H]2c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001652258902 1101461147 /nfs/dbraw/zinc/46/11/47/1101461147.db2.gz WLYXXIYGCKIRSC-MRXNPFEDSA-N 0 0 329.331 2.720 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCCc3cccc4c3OCCO4)nc2c1 ZINC001652261748 1101462668 /nfs/dbraw/zinc/46/26/68/1101462668.db2.gz SAIOLRAVKSEWLU-UHFFFAOYSA-N 0 0 340.339 2.897 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H](CC)[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC001670668176 1101464720 /nfs/dbraw/zinc/46/47/20/1101464720.db2.gz XKCCEGBQEVFTRF-AGIUHOORSA-N 0 0 345.346 2.750 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2cnn(C3CCC3)c2)c1[N+](=O)[O-] ZINC001652275230 1101466441 /nfs/dbraw/zinc/46/64/41/1101466441.db2.gz OEJACYJHQPAJIB-UHFFFAOYSA-N 0 0 331.332 2.750 10 5 EFBERN Nc1ncc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001625806887 1101467332 /nfs/dbraw/zinc/46/73/32/1101467332.db2.gz GREKZYGDEIQNNR-OAHLLOKOSA-N 0 0 338.367 2.864 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[C@H](C4CC4)O3)c2c1 ZINC001652282879 1101469158 /nfs/dbraw/zinc/46/91/58/1101469158.db2.gz RCGMCBZLIYBKOU-CXAGYDPISA-N 0 0 343.383 2.943 10 5 EFBERN CC(=O)c1ccc(NC2CC(NCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001652294229 1101470779 /nfs/dbraw/zinc/47/07/79/1101470779.db2.gz DMHADNLGBOWXBY-UHFFFAOYSA-N 0 0 331.294 2.892 10 5 EFBERN CCOC(=O)c1ccc(NCCNc2c(F)cccc2[N+](=O)[O-])nc1 ZINC001652300281 1101471872 /nfs/dbraw/zinc/47/18/72/1101471872.db2.gz VOZXMGLBDOSGGP-UHFFFAOYSA-N 0 0 348.334 2.830 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ncon1)C1CC1 ZINC001652322594 1101477634 /nfs/dbraw/zinc/47/76/34/1101477634.db2.gz DDJITAVJISXMQE-TVQRCGJNSA-N 0 0 348.384 2.726 10 5 EFBERN O=[N+]([O-])c1cc2c(cc1Oc1nccc(C(F)(F)F)n1)OCCO2 ZINC001652320278 1101477639 /nfs/dbraw/zinc/47/76/39/1101477639.db2.gz HSDIELIGRTUBOZ-UHFFFAOYSA-N 0 0 343.217 2.967 10 5 EFBERN COC(=O)[C@]1(CNc2ccc([N+](=O)[O-])cc2C(F)F)CCOC1 ZINC001652336590 1101478943 /nfs/dbraw/zinc/47/89/43/1101478943.db2.gz KGUWYARRXMJEKG-AWEZNQCLSA-N 0 0 330.287 2.524 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H]2OCc3ccccc32)c1[N+](=O)[O-] ZINC001652327225 1101479475 /nfs/dbraw/zinc/47/94/75/1101479475.db2.gz SPOFZNCBNYWDTG-CQSZACIVSA-N 0 0 343.339 2.768 10 5 EFBERN COc1ccc(OCc2nc(-c3cc(C)ccn3)no2)c([N+](=O)[O-])c1 ZINC001652424485 1101487604 /nfs/dbraw/zinc/48/76/04/1101487604.db2.gz BKTXVSPKGQPWLZ-UHFFFAOYSA-N 0 0 342.311 2.936 10 5 EFBERN COc1cccc(-c2nnn(Cc3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC001652469518 1101494353 /nfs/dbraw/zinc/49/43/53/1101494353.db2.gz RYZCWCRMQPEVKZ-UHFFFAOYSA-N 0 0 325.328 2.614 10 5 EFBERN Cn1cc(CSc2n[nH]c(C=Cc3ccccc3)n2)c([N+](=O)[O-])n1 ZINC001652589152 1101516692 /nfs/dbraw/zinc/51/66/92/1101516692.db2.gz PYOVXECSHLXTPK-FPLPWBNLSA-N 0 0 342.384 2.909 10 5 EFBERN O=C(COc1nccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC001652616265 1101522325 /nfs/dbraw/zinc/52/23/25/1101522325.db2.gz PAHOENZIAXZUCN-UHFFFAOYSA-N 0 0 327.218 2.665 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ncn(C[C@@H]3CCC[C@]4(CCOC4)O3)n2)c1 ZINC001652641408 1101525813 /nfs/dbraw/zinc/52/58/13/1101525813.db2.gz WIMRCUUVENKIIB-DOTOQJQBSA-N 0 0 344.371 2.582 10 5 EFBERN O=c1c([N+](=O)[O-])cccn1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001652641577 1101525886 /nfs/dbraw/zinc/52/58/86/1101525886.db2.gz ZFYRKGHWMYKZIK-GFCCVEGCSA-N 0 0 329.139 2.797 10 5 EFBERN CC(C)c1nc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c[nH]1 ZINC001652743520 1101539824 /nfs/dbraw/zinc/53/98/24/1101539824.db2.gz OEMWTHPMYBAPKM-UHFFFAOYSA-N 0 0 331.376 2.560 10 5 EFBERN O=C(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)Nc1cccc(Cl)c1 ZINC001652816234 1101550182 /nfs/dbraw/zinc/55/01/82/1101550182.db2.gz GKDRDTAPTJVBBF-UHFFFAOYSA-N 0 0 347.714 2.795 10 5 EFBERN Cn1nc(C(C)(C)C)cc1NC(=O)COc1ccsc1[N+](=O)[O-] ZINC001652845151 1101556144 /nfs/dbraw/zinc/55/61/44/1101556144.db2.gz VWTKCNJJNFGNIG-UHFFFAOYSA-N 0 0 338.389 2.705 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1F)N1CCc2ccccc21 ZINC001652845989 1101556845 /nfs/dbraw/zinc/55/68/45/1101556845.db2.gz FADAVAKRDSUGOR-UHFFFAOYSA-N 0 0 334.278 2.841 10 5 EFBERN Nc1ccn(C[C@H]2CCC[C@@H](c3ccccc3)O2)c(=O)c1[N+](=O)[O-] ZINC001652952473 1101569289 /nfs/dbraw/zinc/56/92/89/1101569289.db2.gz JIDXZHWFIDLFCL-HIFRSBDPSA-N 0 0 329.356 2.649 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc2c(c1)CCO2 ZINC001652953899 1101569467 /nfs/dbraw/zinc/56/94/67/1101569467.db2.gz RZNLRKZTGBYDAF-SNVBAGLBSA-N 0 0 327.340 2.603 10 5 EFBERN CC1(C)CC(=O)c2cnc(SCCn3cc([N+](=O)[O-])cn3)nc2C1 ZINC001652944984 1101569816 /nfs/dbraw/zinc/56/98/16/1101569816.db2.gz CKLLMCKBZXVSOU-UHFFFAOYSA-N 0 0 347.400 2.529 10 5 EFBERN C[C@]1(Cc2cccs2)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001653002177 1101575417 /nfs/dbraw/zinc/57/54/17/1101575417.db2.gz IERNAXJSTCUPHF-MRXNPFEDSA-N 0 0 346.412 2.871 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)c1cncs1 ZINC001653015578 1101575677 /nfs/dbraw/zinc/57/56/77/1101575677.db2.gz QTPWQXGOHRNKIO-GFCCVEGCSA-N 0 0 347.396 2.619 10 5 EFBERN CC1CCN(c2ccc(F)cc2NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001653039407 1101580202 /nfs/dbraw/zinc/58/02/02/1101580202.db2.gz NTLVPQLWPPAJSX-UHFFFAOYSA-N 0 0 347.350 2.946 10 5 EFBERN O=C1O[C@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)nc2Cl)CC12CC2 ZINC001653105367 1101586618 /nfs/dbraw/zinc/58/66/18/1101586618.db2.gz VXGBNHMOWOEUFF-NSHDSACASA-N 0 0 348.746 2.602 10 5 EFBERN CC(C)(C)c1cnc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)o1 ZINC001653115091 1101587268 /nfs/dbraw/zinc/58/72/68/1101587268.db2.gz KSSPQCHRVBSWDS-UHFFFAOYSA-N 0 0 328.332 2.582 10 5 EFBERN COc1ccc([C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C2CCC2)cc1 ZINC001653137595 1101590831 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CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2c(F)cccc2Cl)n1 ZINC000427114891 247317313 /nfs/dbraw/zinc/31/73/13/247317313.db2.gz PNMIXGASUWZVJV-UHFFFAOYSA-N 0 0 340.742 2.876 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCSc2ccccc2)n1 ZINC000427108131 247317611 /nfs/dbraw/zinc/31/76/11/247317611.db2.gz BKUQMRYVEPOAKS-UHFFFAOYSA-N 0 0 334.401 2.723 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)n1 ZINC000427373835 247343722 /nfs/dbraw/zinc/34/37/22/247343722.db2.gz DKCRTBCXTRADRB-CQSZACIVSA-N 0 0 328.372 2.749 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)n1 ZINC000427382487 247344302 /nfs/dbraw/zinc/34/43/02/247344302.db2.gz NDWINJSNLFZMKI-UKRRQHHQSA-N 0 0 342.399 2.905 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)n1 ZINC000427382489 247344868 /nfs/dbraw/zinc/34/48/68/247344868.db2.gz NDWINJSNLFZMKI-ZFWWWQNUSA-N 0 0 342.399 2.905 10 5 EFBERN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1 ZINC000427380483 247345065 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CN(c1ccc(Cl)cn1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000089365348 217790393 /nfs/dbraw/zinc/79/03/93/217790393.db2.gz TVBPYDWWNQXCSN-UHFFFAOYSA-N 0 0 341.776 2.609 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC3(CCOCC3)C2)c1 ZINC000360110195 284570595 /nfs/dbraw/zinc/57/05/95/284570595.db2.gz BQWLODYRDNNNKK-UHFFFAOYSA-N 0 0 334.372 2.778 10 5 EFBERN CC1=C[C@@H](C)CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430486302 247787875 /nfs/dbraw/zinc/78/78/75/247787875.db2.gz RZAPADDFNSUQJV-SECBINFHSA-N 0 0 337.763 2.611 10 5 EFBERN NC(=O)c1ccc(CNc2cc(F)cc(F)c2F)c([N+](=O)[O-])c1 ZINC000431085257 247868530 /nfs/dbraw/zinc/86/85/30/247868530.db2.gz NMBAOSKKYMYLLF-UHFFFAOYSA-N 0 0 325.246 2.723 10 5 EFBERN Cc1nc([C@](C)(NCCOc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000433288420 248037606 /nfs/dbraw/zinc/03/76/06/248037606.db2.gz NSSYOXRVLBBOCU-MRXNPFEDSA-N 0 0 332.360 2.580 10 5 EFBERN Cc1nc([C@@](C)(NCc2c(F)cc([N+](=O)[O-])cc2F)C2CC2)no1 ZINC000433301072 248040106 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Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n(C2CCOCC2)n1 ZINC000434325715 248142920 /nfs/dbraw/zinc/14/29/20/248142920.db2.gz JWGCUDMIJKKGMQ-UHFFFAOYSA-N 0 0 348.334 2.843 10 5 EFBERN Cc1n[nH]c(C(=O)N(C)Cc2cc(Cl)ccc2F)c1[N+](=O)[O-] ZINC000434340206 248143302 /nfs/dbraw/zinc/14/33/02/248143302.db2.gz FEZSHVPMLPFRHC-UHFFFAOYSA-N 0 0 326.715 2.691 10 5 EFBERN O=[N+]([O-])c1cnn(CCN[C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000434671733 248177087 /nfs/dbraw/zinc/17/70/87/248177087.db2.gz WAADMHIYRQDTLJ-LBPRGKRZSA-N 0 0 332.257 2.666 10 5 EFBERN CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266137211 248122353 /nfs/dbraw/zinc/12/23/53/248122353.db2.gz FVDUJFXDVGAQFB-UHFFFAOYSA-N 0 0 343.330 2.501 10 5 EFBERN O=C1C[C@@H](c2cccc(Nc3nc4sccn4c3[N+](=O)[O-])c2)CN1 ZINC000434951126 248199883 /nfs/dbraw/zinc/19/98/83/248199883.db2.gz OUBKNWXONKMSQL-SNVBAGLBSA-N 0 0 343.368 2.651 10 5 EFBERN COC(=O)c1cnc(N2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000359875875 284601373 /nfs/dbraw/zinc/60/13/73/284601373.db2.gz LQFOAMYZBIKEFG-APPZFPTMSA-N 0 0 333.266 2.554 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000266591754 248374773 /nfs/dbraw/zinc/37/47/73/248374773.db2.gz QZCVAMWKICCPAK-UHFFFAOYSA-N 0 0 349.294 2.998 10 5 EFBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000355304261 284618027 /nfs/dbraw/zinc/61/80/27/284618027.db2.gz HJHUEHBBPLRTIU-UHFFFAOYSA-N 0 0 345.746 2.582 10 5 EFBERN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000408001418 284626712 /nfs/dbraw/zinc/62/67/12/284626712.db2.gz PQMVHMBYPRBOQJ-OCCSQVGLSA-N 0 0 329.356 2.717 10 5 EFBERN COc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000435550081 249374013 /nfs/dbraw/zinc/37/40/13/249374013.db2.gz NHXBYNAVPOLEOW-JTQLQIEISA-N 0 0 344.323 2.823 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000370591632 284669123 /nfs/dbraw/zinc/66/91/23/284669123.db2.gz BYUVVDURRXVVCR-HNNXBMFYSA-N 0 0 349.350 2.631 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QOWGLIQMGXDFEN-LBPRGKRZSA-N 0 0 333.319 2.573 10 5 EFBERN CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000344437995 142016789 /nfs/dbraw/zinc/01/67/89/142016789.db2.gz RZVJLXMORXORLL-AWEZNQCLSA-N 0 0 346.774 2.885 10 5 EFBERN COc1ccc(CNC(=O)N[C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000344480892 142025166 /nfs/dbraw/zinc/02/51/66/142025166.db2.gz NZVMGVPSEWMCMO-LBPRGKRZSA-N 0 0 349.309 2.990 10 5 EFBERN Cc1ccc2[nH]c(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC000344486351 142026370 /nfs/dbraw/zinc/02/63/70/142026370.db2.gz RAIDVRPFMWDZCB-UHFFFAOYSA-N 0 0 339.355 2.854 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCCOC1 ZINC000344490195 142026778 /nfs/dbraw/zinc/02/67/78/142026778.db2.gz QBAWSHBZPUDIQX-SECBINFHSA-N 0 0 344.165 2.658 10 5 EFBERN CC[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000344540974 142037343 /nfs/dbraw/zinc/03/73/43/142037343.db2.gz LIDFYVGSQYTLEG-NSHDSACASA-N 0 0 334.298 2.647 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000344593956 142045756 /nfs/dbraw/zinc/04/57/56/142045756.db2.gz XXGFKZPSPYNBBK-KGLIPLIRSA-N 0 0 345.399 2.528 10 5 EFBERN C[C@H]1CCCN(c2ccc(C(=O)NCCCCCO)cc2[N+](=O)[O-])C1 ZINC000344644328 142054694 /nfs/dbraw/zinc/05/46/94/142054694.db2.gz NRZQCTPGEIREOE-AWEZNQCLSA-N 0 0 349.431 2.724 10 5 EFBERN Cc1nc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000344659825 142056706 /nfs/dbraw/zinc/05/67/06/142056706.db2.gz BHFZEDPOTINYIG-UHFFFAOYSA-N 0 0 329.341 2.798 10 5 EFBERN CCOc1ccc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000344746595 142071809 /nfs/dbraw/zinc/07/18/09/142071809.db2.gz JCHLZHBISGQPNS-GXTWGEPZSA-N 0 0 336.388 2.759 10 5 EFBERN O=C(NCc1noc(C2CC2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000344798803 142080256 /nfs/dbraw/zinc/08/02/56/142080256.db2.gz YZIPFIZJTZZKKN-UHFFFAOYSA-N 0 0 344.352 3.000 10 5 EFBERN CO[C@@H](C)CN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC000344830907 142085191 /nfs/dbraw/zinc/08/51/91/142085191.db2.gz SQDQZQGHLHMPML-AWEZNQCLSA-N 0 0 338.404 2.944 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC1(F)CCC1 ZINC000344918570 142097430 /nfs/dbraw/zinc/09/74/30/142097430.db2.gz RTIVCEFLDQMLHT-UHFFFAOYSA-N 0 0 336.772 2.809 10 5 EFBERN CN(C1CCC(F)(F)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000344954505 142102895 /nfs/dbraw/zinc/10/28/95/142102895.db2.gz NLOZUDQMAYRZSS-UHFFFAOYSA-N 0 0 340.373 2.855 10 5 EFBERN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345928018 142119369 /nfs/dbraw/zinc/11/93/69/142119369.db2.gz IUDSKVUPWKKPDY-CYBMUJFWSA-N 0 0 348.742 2.818 10 5 EFBERN Cc1sccc1CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345936182 142120432 /nfs/dbraw/zinc/12/04/32/142120432.db2.gz NXSHBCXYAVGTTQ-CYBMUJFWSA-N 0 0 346.412 2.615 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3cc(F)cc(F)c3)no2)n1 ZINC000345979771 142127671 /nfs/dbraw/zinc/12/76/71/142127671.db2.gz BYTKKNUETNNCGN-UHFFFAOYSA-N 0 0 335.270 2.730 10 5 EFBERN Cc1ccc(-c2noc(CO[C@H](C)c3nccn3C)n2)cc1[N+](=O)[O-] ZINC000345985942 142128596 /nfs/dbraw/zinc/12/85/96/142128596.db2.gz NVEXOGUSJBVLGR-LLVKDONJSA-N 0 0 343.343 2.965 10 5 EFBERN Cn1cccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1=O ZINC000346052060 142139658 /nfs/dbraw/zinc/13/96/58/142139658.db2.gz AYYBFERZVSGIMS-UHFFFAOYSA-N 0 0 341.367 2.883 10 5 EFBERN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000346068799 142142702 /nfs/dbraw/zinc/14/27/02/142142702.db2.gz LCMTWUCYEVLEFJ-MRXNPFEDSA-N 0 0 342.351 2.890 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H](C1CC1)C(F)(F)F ZINC000346076768 142143592 /nfs/dbraw/zinc/14/35/92/142143592.db2.gz HEOJLNRAPAZZRH-GFCCVEGCSA-N 0 0 338.232 2.873 10 5 EFBERN CC1CC[NH+](CCCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000346144356 142153866 /nfs/dbraw/zinc/15/38/66/142153866.db2.gz AAXCCSPRAMZANN-UHFFFAOYSA-N 0 0 335.404 2.542 10 5 EFBERN CCOCC(C)(C)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000346208676 142168358 /nfs/dbraw/zinc/16/83/58/142168358.db2.gz MJCSQBWNFZUVNJ-UHFFFAOYSA-N 0 0 330.331 2.594 10 5 EFBERN COC(C)(C)C[C@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416404669 292076168 /nfs/dbraw/zinc/07/61/68/292076168.db2.gz AQBIYZUHBNPUOS-LBPRGKRZSA-N 0 0 344.433 2.694 10 5 EFBERN CCc1nn(C)c(N2CCc3cc(OC)c(F)cc3C2)c1[N+](=O)[O-] ZINC000346259243 142178179 /nfs/dbraw/zinc/17/81/79/142178179.db2.gz JVZGCMOEPXOSQP-UHFFFAOYSA-N 0 0 334.351 2.601 10 5 EFBERN CCN(C)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000346297895 142185767 /nfs/dbraw/zinc/18/57/67/142185767.db2.gz QCJCZKBDFABCOQ-UHFFFAOYSA-N 0 0 342.355 2.642 10 5 EFBERN O=C(N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CCc2ccccc21 ZINC000346389112 142197984 /nfs/dbraw/zinc/19/79/84/142197984.db2.gz RUSZALRLPHWDDH-UHFFFAOYSA-N 0 0 339.351 2.841 10 5 EFBERN CSC[C@@H](C)Nc1nc(N[C@@H](C)CSC)sc1[N+](=O)[O-] ZINC000346435714 142204101 /nfs/dbraw/zinc/20/41/01/142204101.db2.gz VLPBJCUGJNSXEY-SFYZADRCSA-N 0 0 336.508 2.800 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(NCCC[C@@H]3CCCC[C@H]3O)c21 ZINC000347463457 142221221 /nfs/dbraw/zinc/22/12/21/142221221.db2.gz MYGZMMYSNUJPSY-SWLSCSKDSA-N 0 0 330.388 2.703 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CN(c3ccc(F)cc3)C2=O)n1 ZINC000347469609 142222273 /nfs/dbraw/zinc/22/22/73/142222273.db2.gz ZFNQQADSIBOCDY-ZDUSSCGKSA-N 0 0 330.319 2.573 10 5 EFBERN CC(C)Cn1ncc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1C(C)C ZINC000347480270 142223980 /nfs/dbraw/zinc/22/39/80/142223980.db2.gz KVHJLLOFGVXUDU-UHFFFAOYSA-N 0 0 348.407 2.796 10 5 EFBERN Cn1c(=O)ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000347581440 142239689 /nfs/dbraw/zinc/23/96/89/142239689.db2.gz IRINYCNQHJAFEM-UHFFFAOYSA-N 0 0 329.337 2.761 10 5 EFBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)O ZINC000347614817 142245195 /nfs/dbraw/zinc/24/51/95/142245195.db2.gz JCGNNPUQQQHFBC-LLVKDONJSA-N 0 0 326.418 2.988 10 5 EFBERN COCCN(Cc1scnc1C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000347699960 142258684 /nfs/dbraw/zinc/25/86/84/142258684.db2.gz AVSLNHPRBIVYKE-UHFFFAOYSA-N 0 0 349.412 2.957 10 5 EFBERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccc(Br)cn1 ZINC000347740699 142265039 /nfs/dbraw/zinc/26/50/39/142265039.db2.gz AXLNPPRCZGHSHE-UHFFFAOYSA-N 0 0 344.552 2.616 10 5 EFBERN C[C@@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)C(F)(F)F ZINC000347743842 142265558 /nfs/dbraw/zinc/26/55/58/142265558.db2.gz KFJYFCUUMGNBAE-YFKPBYRVSA-N 0 0 329.072 2.717 10 5 EFBERN CC(C)CCC[C@@H](C)NC(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347776629 142269939 /nfs/dbraw/zinc/26/99/39/142269939.db2.gz AIRXCIZBDVSWFK-CQSZACIVSA-N 0 0 348.447 2.679 10 5 EFBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000347820837 142276577 /nfs/dbraw/zinc/27/65/77/142276577.db2.gz FWHHXZMIZUHUFD-SKDRFNHKSA-N 0 0 332.278 2.773 10 5 EFBERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000347820833 142276628 /nfs/dbraw/zinc/27/66/28/142276628.db2.gz FWHHXZMIZUHUFD-JOYOIKCWSA-N 0 0 332.278 2.773 10 5 EFBERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000347820826 142276651 /nfs/dbraw/zinc/27/66/51/142276651.db2.gz FWHHXZMIZUHUFD-BXKDBHETSA-N 0 0 332.278 2.773 10 5 EFBERN CCc1cccc2c1OCC[C@@H]2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347864293 142284053 /nfs/dbraw/zinc/28/40/53/142284053.db2.gz CJTHIXONOFTFEM-ZDUSSCGKSA-N 0 0 339.355 2.558 10 5 EFBERN COc1ccc(CSCC(=O)Nc2ccnnc2C)cc1[N+](=O)[O-] ZINC000347918841 142292592 /nfs/dbraw/zinc/29/25/92/142292592.db2.gz BOFNJUVSUJONMU-UHFFFAOYSA-N 0 0 348.384 2.574 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3cc4ccccc4s3)nn21 ZINC000347923815 142293626 /nfs/dbraw/zinc/29/36/26/142293626.db2.gz LPQDKMXBFMNLQP-UHFFFAOYSA-N 0 0 325.353 2.886 10 5 EFBERN C[C@H](C(=O)N1CCC[C@H]2COCC[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000347982648 142303499 /nfs/dbraw/zinc/30/34/99/142303499.db2.gz GLDUPYOVJUZUFG-MQIPJXDCSA-N 0 0 336.363 2.865 10 5 EFBERN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(c2ccc(F)cn2)CC1 ZINC000349405024 142327915 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CC[C@H](NC(=O)c1csc(NC2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000349781700 142358243 /nfs/dbraw/zinc/35/82/43/142358243.db2.gz HPBWJXJEDTVFDU-ZDUSSCGKSA-N 0 0 346.412 2.929 10 5 EFBERN CC[C@@H](NC(=O)c1csc(NC2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000349781698 142358481 /nfs/dbraw/zinc/35/84/81/142358481.db2.gz HPBWJXJEDTVFDU-CYBMUJFWSA-N 0 0 346.412 2.929 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000349801238 142360742 /nfs/dbraw/zinc/36/07/42/142360742.db2.gz NFGBPLMBLWEOPZ-OAHLLOKOSA-N 0 0 326.356 2.917 10 5 EFBERN COc1cc(C(=O)N[C@H](C)c2cncc(F)c2)c([N+](=O)[O-])cc1OC ZINC000349822264 142364570 /nfs/dbraw/zinc/36/45/70/142364570.db2.gz WTAAUUYTVUOULJ-SECBINFHSA-N 0 0 349.318 2.637 10 5 EFBERN C[C@H](OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nccn1C ZINC000349841175 142366530 /nfs/dbraw/zinc/36/65/30/142366530.db2.gz RJROUFATLWBSMA-JTQLQIEISA-N 0 0 329.316 2.656 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H](C)C(=O)OC(C)(C)C)no1 ZINC000350470951 142426736 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C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000337909906 143837308 /nfs/dbraw/zinc/83/73/08/143837308.db2.gz HDUWDOYHJGHFEK-QGZVFWFLSA-N 0 0 343.314 2.701 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000338032395 143870085 /nfs/dbraw/zinc/87/00/85/143870085.db2.gz QSESWFFNQSZYBI-UHFFFAOYSA-N 0 0 345.330 2.753 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOc2cccc(F)c2C1 ZINC000338161384 144616147 /nfs/dbraw/zinc/61/61/47/144616147.db2.gz ZRKUAHAUSJMWPO-UHFFFAOYSA-N 0 0 334.278 2.908 10 5 EFBERN CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000339184067 144707922 /nfs/dbraw/zinc/70/79/22/144707922.db2.gz IDQBDVSYIYUNGT-MRXNPFEDSA-N 0 0 345.330 2.940 10 5 EFBERN CN(CCCO)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000339436071 144770307 /nfs/dbraw/zinc/77/03/07/144770307.db2.gz CJHVIDYWJKFVMC-UHFFFAOYSA-N 0 0 330.340 2.842 10 5 EFBERN Cc1cccc(OCC(=O)c2cccc(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000340708845 144921260 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CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000341267229 145023249 /nfs/dbraw/zinc/02/32/49/145023249.db2.gz UAUDTZCNBFRCCX-GFCCVEGCSA-N 0 0 341.367 2.973 10 5 EFBERN C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1[N+](=O)[O-] ZINC000341274435 145024363 /nfs/dbraw/zinc/02/43/63/145024363.db2.gz BTBVDXULWGBXON-ZBEGNZNMSA-N 0 0 328.324 2.612 10 5 EFBERN NC(=O)C1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000341285906 145026544 /nfs/dbraw/zinc/02/65/44/145026544.db2.gz PGIGWENUCYCFSH-UHFFFAOYSA-N 0 0 340.383 2.535 10 5 EFBERN Cc1csc(N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000341312297 145031145 /nfs/dbraw/zinc/03/11/45/145031145.db2.gz MPLGDZBQXPBTKZ-UHFFFAOYSA-N 0 0 327.312 2.843 10 5 EFBERN C[C@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000341329285 145034282 /nfs/dbraw/zinc/03/42/82/145034282.db2.gz PAHKCPWSBQPKEY-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000341330823 145034303 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CCOc1ccc(C(=O)N2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000342143390 145069979 /nfs/dbraw/zinc/06/99/79/145069979.db2.gz SUPMXKLAVCIFAU-MRXNPFEDSA-N 0 0 336.388 2.881 10 5 EFBERN Cc1sc(C(=O)NCc2cn3cc(C)ccc3n2)cc1[N+](=O)[O-] ZINC000342172823 145075386 /nfs/dbraw/zinc/07/53/86/145075386.db2.gz MVJNRCDYDVSUMX-UHFFFAOYSA-N 0 0 330.369 2.851 10 5 EFBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1CCc1cccc(F)c1F ZINC000342250801 145087561 /nfs/dbraw/zinc/08/75/61/145087561.db2.gz QUSQNHJUTOWUIZ-UHFFFAOYSA-N 0 0 331.278 2.826 10 5 EFBERN CC(=O)c1cc(N2CC(=O)N(C(C)C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000342272214 145091565 /nfs/dbraw/zinc/09/15/65/145091565.db2.gz YYBNSFDJPKFWSL-UHFFFAOYSA-N 0 0 333.388 2.633 10 5 EFBERN Cc1ccc2nc(CN[C@H](C)c3ccccc3[N+](=O)[O-])cc(=O)n2c1 ZINC000342288658 145094275 /nfs/dbraw/zinc/09/42/75/145094275.db2.gz ZKFBXZNCILVOJC-CYBMUJFWSA-N 0 0 338.367 2.762 10 5 EFBERN Cc1cccn2c(=O)cc(CN[C@H](C)c3ccccc3[N+](=O)[O-])nc12 ZINC000342290315 145094658 /nfs/dbraw/zinc/09/46/58/145094658.db2.gz BOPDXMIVNDZUMC-CYBMUJFWSA-N 0 0 338.367 2.762 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc2ccc(=O)[nH]c21 ZINC000342390389 145115298 /nfs/dbraw/zinc/11/52/98/145115298.db2.gz VZTGKPFZJWTXIK-UHFFFAOYSA-N 0 0 337.335 2.821 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCCOC3)cc2[N+](=O)[O-])C1 ZINC000342398192 145116744 /nfs/dbraw/zinc/11/67/44/145116744.db2.gz QFUKHWCMEMPBLK-UKRRQHHQSA-N 0 0 347.415 2.740 10 5 EFBERN Cc1ccncc1Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000342430833 145124124 /nfs/dbraw/zinc/12/41/24/145124124.db2.gz CRZUECVTYCDERL-UHFFFAOYSA-N 0 0 338.161 2.579 10 5 EFBERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccccc2N)cc1[N+](=O)[O-] ZINC000342527846 145143358 /nfs/dbraw/zinc/14/33/58/145143358.db2.gz ZDRAZVMPYUZMAY-NSHDSACASA-N 0 0 335.385 2.525 10 5 EFBERN COCCC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000342529329 145143657 /nfs/dbraw/zinc/14/36/57/145143657.db2.gz PJJNTQZLSDCBGE-UHFFFAOYSA-N 0 0 342.342 2.739 10 5 EFBERN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCc1cccc(F)c1F ZINC000342542958 145145825 /nfs/dbraw/zinc/14/58/25/145145825.db2.gz HPGQTNXXAAPGLJ-UHFFFAOYSA-N 0 0 332.262 2.712 10 5 EFBERN COc1ccc(C(=O)N=c2cc(C)n([C@H](C)C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000342633921 145162970 /nfs/dbraw/zinc/16/29/70/145162970.db2.gz GGKYTUOVWRTATJ-LLVKDONJSA-N 0 0 344.371 2.754 10 5 EFBERN COc1ccc(C(=O)N=c2cc(C)n([C@@H](C)C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000342633922 145163132 /nfs/dbraw/zinc/16/31/32/145163132.db2.gz GGKYTUOVWRTATJ-NSHDSACASA-N 0 0 344.371 2.754 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1[N+](=O)[O-] ZINC000342655549 145167286 /nfs/dbraw/zinc/16/72/86/145167286.db2.gz QSZVNCIXOBJUPV-LLVKDONJSA-N 0 0 339.351 2.509 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCOC2(CCC2)C1 ZINC000342666602 145169506 /nfs/dbraw/zinc/16/95/06/145169506.db2.gz MPKFTKIUPLAROM-SNVBAGLBSA-N 0 0 340.326 2.633 10 5 EFBERN CC(C)(C(=O)N1CC[C@@]2(C1)CCCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000342672323 145170292 /nfs/dbraw/zinc/17/02/92/145170292.db2.gz AKUAKASGPKHPRV-GOSISDBHSA-N 0 0 332.400 2.902 10 5 EFBERN COC(=O)c1cc(C)nc(Oc2ccc3nccnc3c2)c1[N+](=O)[O-] ZINC000342732347 145181231 /nfs/dbraw/zinc/18/12/31/145181231.db2.gz UYLASLCDRXCYPS-UHFFFAOYSA-N 0 0 340.295 2.820 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC[C@@H]2CCCC[C@H]2O)n1 ZINC000342784076 145192418 /nfs/dbraw/zinc/19/24/18/145192418.db2.gz QPRKBIXCDUTMBY-SMDDNHRTSA-N 0 0 337.376 2.520 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccn(C3CCCC3)n2)n1 ZINC000342802561 145197143 /nfs/dbraw/zinc/19/71/43/145197143.db2.gz NSKFMXCWYYAFNU-UHFFFAOYSA-N 0 0 345.359 2.700 10 5 EFBERN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc2c(c1)OCO2 ZINC000342820392 145200983 /nfs/dbraw/zinc/20/09/83/145200983.db2.gz HMUAYAKRYKAIAO-MRVPVSSYSA-N 0 0 347.302 2.536 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC2CCC1CC2 ZINC000342829873 145203603 /nfs/dbraw/zinc/20/36/03/145203603.db2.gz LVXVHGNVTPMYJF-HGMXIMQMSA-N 0 0 345.399 2.791 10 5 EFBERN COC(=O)c1cc(C)nc(NC2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000342827988 145203657 /nfs/dbraw/zinc/20/36/57/145203657.db2.gz CRRIDZJDPJRCAC-UHFFFAOYSA-N 0 0 327.340 2.664 10 5 EFBERN Cn1c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000342934229 145224527 /nfs/dbraw/zinc/22/45/27/145224527.db2.gz KUQWWICQODCRLI-LBPRGKRZSA-N 0 0 343.339 2.639 10 5 EFBERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000342954582 145228153 /nfs/dbraw/zinc/22/81/53/145228153.db2.gz QZKMGWVQIPXUJF-ZDUSSCGKSA-N 0 0 345.330 2.796 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343613339 145252544 /nfs/dbraw/zinc/25/25/44/145252544.db2.gz PLVGSBGPSHCPPX-UHFFFAOYSA-N 0 0 349.293 2.545 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCCN(c3cccnc3)C2=O)n1 ZINC000343651631 145262346 /nfs/dbraw/zinc/26/23/46/145262346.db2.gz KSFHMJFGYZBASD-CQSZACIVSA-N 0 0 341.371 2.609 10 5 EFBERN COC[C@@H]1C[C@@H](OC)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000343706123 145275853 /nfs/dbraw/zinc/27/58/53/145275853.db2.gz IJXDKBQNOIEFGY-WDEREUQCSA-N 0 0 345.193 2.597 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCCCS1 ZINC000343792830 145296011 /nfs/dbraw/zinc/29/60/11/145296011.db2.gz GHWOPVBQAMHCBK-SNVBAGLBSA-N 0 0 330.356 2.817 10 5 EFBERN C[C@@H]1C[C@@H](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000343793353 145296450 /nfs/dbraw/zinc/29/64/50/145296450.db2.gz HAKHHSDKXBQOCU-MNOVXSKESA-N 0 0 342.342 2.737 10 5 EFBERN Cc1cc(NCC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343875693 145314426 /nfs/dbraw/zinc/31/44/26/145314426.db2.gz NSMFXRQTVVQTSP-ZDUSSCGKSA-N 0 0 328.372 2.621 10 5 EFBERN CN(C[C@H]1CC=CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000343903913 145321386 /nfs/dbraw/zinc/32/13/86/145321386.db2.gz GMZZKFXGLHZTCJ-NSHDSACASA-N 0 0 328.365 2.711 10 5 EFBERN COc1cc(N[C@@H]2CC(=O)N(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000343913173 145323101 /nfs/dbraw/zinc/32/31/01/145323101.db2.gz YYFZLVOPYJYVHC-LLVKDONJSA-N 0 0 345.330 2.960 10 5 EFBERN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000343942907 145329618 /nfs/dbraw/zinc/32/96/18/145329618.db2.gz XFGHSIZZHYTSFW-GFCCVEGCSA-N 0 0 340.401 2.580 10 5 EFBERN COc1cc(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000343982078 145338036 /nfs/dbraw/zinc/33/80/36/145338036.db2.gz KTOJQYCAVMMBGF-GFCCVEGCSA-N 0 0 340.401 2.580 10 5 EFBERN COc1cc(S(=O)(=O)N(C)C[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000343982079 145338219 /nfs/dbraw/zinc/33/82/19/145338219.db2.gz KTOJQYCAVMMBGF-LBPRGKRZSA-N 0 0 340.401 2.580 10 5 EFBERN COc1cccc(C(=O)N2CC(OC)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000344119072 145373382 /nfs/dbraw/zinc/37/33/82/145373382.db2.gz HHBMJYNLBQUNRW-UHFFFAOYSA-N 0 0 342.351 2.601 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000344166856 145383565 /nfs/dbraw/zinc/38/35/65/145383565.db2.gz CUIAWQHRQXEUCB-UHFFFAOYSA-N 0 0 329.331 2.696 10 5 EFBERN CN(C(=O)[C@@H]1C[C@@]12CCOc1ccccc12)c1ccc([N+](=O)[O-])nc1 ZINC000344227100 145396889 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Cc1cc(=O)[nH]cc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000356511375 147263318 /nfs/dbraw/zinc/26/33/18/147263318.db2.gz XPQUYRDHWFDYLI-UHFFFAOYSA-N 0 0 341.327 2.708 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1noc(-c2ccccc2)n1 ZINC000356535755 147270086 /nfs/dbraw/zinc/27/00/86/147270086.db2.gz BBHKLYOOIRRXSN-UHFFFAOYSA-N 0 0 338.279 2.601 10 5 EFBERN COc1c(C(=O)Nc2ncn(C3CCCCC3)n2)cccc1[N+](=O)[O-] ZINC000356712355 147315744 /nfs/dbraw/zinc/31/57/44/147315744.db2.gz NMOXLFMJZYWFQB-UHFFFAOYSA-N 0 0 345.359 2.952 10 5 EFBERN C[C@@H]1CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000356716343 147317874 /nfs/dbraw/zinc/31/78/74/147317874.db2.gz BEMZLRZAOCTGNX-PELKAZGASA-N 0 0 327.178 2.815 10 5 EFBERN C[C@@H]1CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000356716344 147317979 /nfs/dbraw/zinc/31/79/79/147317979.db2.gz BEMZLRZAOCTGNX-PRHODGIISA-N 0 0 327.178 2.815 10 5 EFBERN Cc1n[nH]cc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356734041 147322482 /nfs/dbraw/zinc/32/24/82/147322482.db2.gz LUSNXRHWRUVVSQ-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000356749466 147326847 /nfs/dbraw/zinc/32/68/47/147326847.db2.gz WZYCHMZQQAOUPO-UHFFFAOYSA-N 0 0 338.117 2.710 10 5 EFBERN O=C(CCn1cccn1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356780281 147334048 /nfs/dbraw/zinc/33/40/48/147334048.db2.gz ALIJIGJOZPVMLZ-UHFFFAOYSA-N 0 0 339.149 2.583 10 5 EFBERN Cn1nccc1CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000356792399 147337595 /nfs/dbraw/zinc/33/75/95/147337595.db2.gz CWADFLMMLUGFTO-MRXNPFEDSA-N 0 0 346.412 2.535 10 5 EFBERN C[C@@H](C(=O)N1CCCCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000356813958 147343398 /nfs/dbraw/zinc/34/33/98/147343398.db2.gz NNYDTSFTVGMPSG-OLZOCXBDSA-N 0 0 338.379 2.991 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC[C@@H]1CCO ZINC000356823668 147345450 /nfs/dbraw/zinc/34/54/50/147345450.db2.gz QQJCJXTXZHNHHU-CYBMUJFWSA-N 0 0 340.807 2.944 10 5 EFBERN C[C@@H](c1noc(-c2c([N+](=O)[O-])cnn2C)n1)c1c(F)cccc1F ZINC000356860898 147356210 /nfs/dbraw/zinc/35/62/10/147356210.db2.gz YKYXBZVOAQYNCB-SSDOTTSWSA-N 0 0 335.270 2.808 10 5 EFBERN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cnn1 ZINC000356872402 147359170 /nfs/dbraw/zinc/35/91/70/147359170.db2.gz XQEYQKFUYAUYGU-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN Cn1ccnc1-c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000356970065 147386908 /nfs/dbraw/zinc/38/69/08/147386908.db2.gz WFKQKNGMFDNGSA-UHFFFAOYSA-N 0 0 337.242 2.647 10 5 EFBERN Cc1cc(-c2nc(-c3ccc(CC(N)=O)cc3)no2)cc([N+](=O)[O-])c1 ZINC000357133165 147435109 /nfs/dbraw/zinc/43/51/09/147435109.db2.gz ULCURJYFQXKNOZ-UHFFFAOYSA-N 0 0 338.323 2.648 10 5 EFBERN CC(=O)N(C)CCc1noc(/C(C)=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000357217944 147459322 /nfs/dbraw/zinc/45/93/22/147459322.db2.gz HPFYQJCXGXJVLU-KHPPLWFESA-N 0 0 330.344 2.559 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000357243915 147467860 /nfs/dbraw/zinc/46/78/60/147467860.db2.gz NTPYIHMSLHAMMO-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(-n4cccn4)cc3)n2)nc1 ZINC000357324112 147493600 /nfs/dbraw/zinc/49/36/00/147493600.db2.gz IEGINWRWJXKUAQ-UHFFFAOYSA-N 0 0 348.322 2.816 10 5 EFBERN Cc1ccc2c(c1)nc(CNc1nc3cc([N+](=O)[O-])ccc3[nH]1)n2C ZINC000357446731 147527977 /nfs/dbraw/zinc/52/79/77/147527977.db2.gz XKXSMJDJSYZGRT-UHFFFAOYSA-N 0 0 336.355 2.700 10 5 EFBERN Cn1c(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000357522268 147546687 /nfs/dbraw/zinc/54/66/87/147546687.db2.gz KFJUFEKZIRWCFS-GOSISDBHSA-N 0 0 341.367 2.595 10 5 EFBERN COCC[C@H](COC)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000357587739 147566204 /nfs/dbraw/zinc/56/62/04/147566204.db2.gz VECXKCCSZAURCM-CQSZACIVSA-N 0 0 349.362 2.681 10 5 EFBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cc[nH]n1 ZINC000357893873 147653274 /nfs/dbraw/zinc/65/32/74/147653274.db2.gz OYJGFAYSOZOAPS-SNVBAGLBSA-N 0 0 328.332 2.561 10 5 EFBERN CO[C@H](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(F)(F)F ZINC000347517121 285988709 /nfs/dbraw/zinc/98/87/09/285988709.db2.gz LRRHYGMMQDOCKU-LLVKDONJSA-N 0 0 345.277 2.773 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000358074248 147700948 /nfs/dbraw/zinc/70/09/48/147700948.db2.gz JQTOIDODPWMKAG-GFCCVEGCSA-N 0 0 332.335 2.580 10 5 EFBERN CSc1c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000358303899 147765317 /nfs/dbraw/zinc/76/53/17/147765317.db2.gz BPULOUYKGMREJV-JTQLQIEISA-N 0 0 334.401 2.850 10 5 EFBERN O=C(NCc1nccs1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359039005 147975290 /nfs/dbraw/zinc/97/52/90/147975290.db2.gz ICVNHBCRKYTKIU-UHFFFAOYSA-N 0 0 329.284 2.583 10 5 EFBERN Cc1csc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000359068733 147983679 /nfs/dbraw/zinc/98/36/79/147983679.db2.gz WKVRXUMVGHVPHO-UHFFFAOYSA-N 0 0 343.311 2.891 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnnn2Cc2ccccc2)n1 ZINC000359082210 147988268 /nfs/dbraw/zinc/98/82/68/147988268.db2.gz LNVOAILFZPDSPH-UHFFFAOYSA-N 0 0 342.384 2.793 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc3c(c2)N(C)C(=O)CO3)n1 ZINC000359095022 147992318 /nfs/dbraw/zinc/99/23/18/147992318.db2.gz MBCYAJPRLIYYIE-UHFFFAOYSA-N 0 0 328.328 2.705 10 5 EFBERN CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359124250 148002208 /nfs/dbraw/zinc/00/22/08/148002208.db2.gz KFLSPFVCKVSMPS-PWSUYJOCSA-N 0 0 344.314 2.741 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)COCC(F)F ZINC000359145368 148007698 /nfs/dbraw/zinc/00/76/98/148007698.db2.gz UKQAKCWEJMEETK-UHFFFAOYSA-N 0 0 344.358 2.904 10 5 EFBERN Cc1c(CNC(=O)NCc2ccc(CO)c(F)c2)cccc1[N+](=O)[O-] ZINC000359150118 148009146 /nfs/dbraw/zinc/00/91/46/148009146.db2.gz CFFKMQYVOQDZDY-UHFFFAOYSA-N 0 0 347.346 2.534 10 5 EFBERN Cc1c(CNC(=O)NCc2ccc(Cl)cn2)cccc1[N+](=O)[O-] ZINC000359248203 148035850 /nfs/dbraw/zinc/03/58/50/148035850.db2.gz GFQKSPDUSXGBTQ-UHFFFAOYSA-N 0 0 334.763 2.951 10 5 EFBERN CSc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000359323075 148056057 /nfs/dbraw/zinc/05/60/57/148056057.db2.gz PNGCIXHQGCGDAQ-UHFFFAOYSA-N 0 0 348.428 2.803 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3ccccc3n2)cc1 ZINC000359358206 148065266 /nfs/dbraw/zinc/06/52/66/148065266.db2.gz IHBHKNSQWZWXBQ-UHFFFAOYSA-N 0 0 343.364 2.622 10 5 EFBERN O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359360044 148065832 /nfs/dbraw/zinc/06/58/32/148065832.db2.gz FIBHCZVPRAMBHH-UHFFFAOYSA-N 0 0 341.298 2.918 10 5 EFBERN C[C@H]1N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCOC1(C)C ZINC000359375043 148070542 /nfs/dbraw/zinc/07/05/42/148070542.db2.gz OFQIYVHFBVQHTR-SECBINFHSA-N 0 0 344.314 2.836 10 5 EFBERN CCC(=O)c1ccc(NCc2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC000359402897 148076099 /nfs/dbraw/zinc/07/60/99/148076099.db2.gz CDJVWBZFGRSXHI-UHFFFAOYSA-N 0 0 325.328 2.842 10 5 EFBERN CCC1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCOCC1 ZINC000359421885 148081276 /nfs/dbraw/zinc/08/12/76/148081276.db2.gz MRWXBBVZFWQQFP-UHFFFAOYSA-N 0 0 344.314 2.885 10 5 EFBERN CCOC(=O)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000359473950 148095285 /nfs/dbraw/zinc/09/52/85/148095285.db2.gz FWPQQJHJEXJNIA-INIZCTEOSA-N 0 0 342.351 2.672 10 5 EFBERN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359495303 148101193 /nfs/dbraw/zinc/10/11/93/148101193.db2.gz IBHQAFDSQQUVDL-KOLCDFICSA-N 0 0 344.314 2.572 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H]1COc2ccccc2O1 ZINC000359552217 148119571 /nfs/dbraw/zinc/11/95/71/148119571.db2.gz MXKNWRHMBIMLBF-LBPRGKRZSA-N 0 0 332.360 2.762 10 5 EFBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000359789372 148188983 /nfs/dbraw/zinc/18/89/83/148188983.db2.gz LXCMSPVOUIHTOJ-RQJHMYQMSA-N 0 0 344.336 2.618 10 5 EFBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000359795172 148190906 /nfs/dbraw/zinc/19/09/06/148190906.db2.gz RGXGKQVORLWSKX-KCJUWKMLSA-N 0 0 338.307 2.556 10 5 EFBERN CC[C@@H](NC(=O)c1cccc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000359844408 148205671 /nfs/dbraw/zinc/20/56/71/148205671.db2.gz TYHJXPAUHXZJMD-CYBMUJFWSA-N 0 0 325.328 2.519 10 5 EFBERN Cc1cc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000359882002 148213707 /nfs/dbraw/zinc/21/37/07/148213707.db2.gz RVYAUYFDXUZIGT-LBPRGKRZSA-N 0 0 349.337 2.938 10 5 EFBERN COc1ccc(CNC(=O)C[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000359914067 148221422 /nfs/dbraw/zinc/22/14/22/148221422.db2.gz ZENZXXFLIKEHRS-LBPRGKRZSA-N 0 0 329.356 2.808 10 5 EFBERN CCN(c1ncc([N+](=O)[O-])c(C)c1Br)[C@H]1CCOC1 ZINC000359969992 148238411 /nfs/dbraw/zinc/23/84/11/148238411.db2.gz XMMKNKPXJGDGET-VIFPVBQESA-N 0 0 330.182 2.676 10 5 EFBERN O=c1c(Cl)c(NCCCCF)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000359982448 148241151 /nfs/dbraw/zinc/24/11/51/148241151.db2.gz WZYVEOXIVWTMBW-UHFFFAOYSA-N 0 0 340.742 2.956 10 5 EFBERN COc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1[N+](=O)[O-] ZINC000359990109 148243796 /nfs/dbraw/zinc/24/37/96/148243796.db2.gz CETQUQSWMNKEHG-UHFFFAOYSA-N 0 0 340.295 2.906 10 5 EFBERN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000360055137 148261950 /nfs/dbraw/zinc/26/19/50/148261950.db2.gz VAUBWCLKJQIPPI-NWDGAFQWSA-N 0 0 340.351 2.589 10 5 EFBERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000360062970 148262465 /nfs/dbraw/zinc/26/24/65/148262465.db2.gz ZFIRTKPRBCJACC-GFCCVEGCSA-N 0 0 345.277 2.563 10 5 EFBERN Cc1cc(N[C@@H]2CS(=O)(=O)c3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000360064098 148263942 /nfs/dbraw/zinc/26/39/42/148263942.db2.gz BCNCDAHPSFUOEB-CYBMUJFWSA-N 0 0 336.344 2.983 10 5 EFBERN Cc1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)c(F)cc1[N+](=O)[O-] ZINC000360074167 148265273 /nfs/dbraw/zinc/26/52/73/148265273.db2.gz QIRZMVMDVGOSSA-GFCCVEGCSA-N 0 0 333.367 2.857 10 5 EFBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC2(CC2)C1 ZINC000360101896 148272735 /nfs/dbraw/zinc/27/27/35/148272735.db2.gz KHFPGZYSGZZVHC-GFCCVEGCSA-N 0 0 336.413 2.714 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCC(=O)N2CCCCCC2)c1 ZINC000360110003 148274158 /nfs/dbraw/zinc/27/41/58/148274158.db2.gz ASJIYOOGRNLKPI-UHFFFAOYSA-N 0 0 349.387 2.586 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCn2ccnc2C)c1 ZINC000360111481 148275211 /nfs/dbraw/zinc/27/52/11/148275211.db2.gz JDEFTUQSSNFTND-UHFFFAOYSA-N 0 0 332.360 2.779 10 5 EFBERN CCOC(=O)c1cc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])cn1C ZINC000360118057 148276605 /nfs/dbraw/zinc/27/66/05/148276605.db2.gz NVFHKXKDTRYVNK-UHFFFAOYSA-N 0 0 347.327 2.640 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN(C)CC(F)(F)F)c1 ZINC000360151222 148285161 /nfs/dbraw/zinc/28/51/61/148285161.db2.gz WWHPALKIGQADNX-UHFFFAOYSA-N 0 0 349.309 2.678 10 5 EFBERN COC(=O)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000360277514 148317159 /nfs/dbraw/zinc/31/71/59/148317159.db2.gz CNUIZMVBRPGSMP-CYBMUJFWSA-N 0 0 347.346 2.881 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1cnccc1C ZINC000360378179 148345751 /nfs/dbraw/zinc/34/57/51/148345751.db2.gz OZPWPZLFBQRBLT-UHFFFAOYSA-N 0 0 349.412 2.681 10 5 EFBERN COc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000360387326 148348793 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CCN(CC)C(=O)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000360993510 148511925 /nfs/dbraw/zinc/51/19/25/148511925.db2.gz BGGFWAJRASFISV-UHFFFAOYSA-N 0 0 335.404 2.688 10 5 EFBERN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361205580 148570291 /nfs/dbraw/zinc/57/02/91/148570291.db2.gz ZTAILSOTHQPVIY-ZYHUDNBSSA-N 0 0 342.779 2.653 10 5 EFBERN C[C@]1(c2ccccc2)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000361667250 148673259 /nfs/dbraw/zinc/67/32/59/148673259.db2.gz KRGCMKMGPOXIES-SFHVURJKSA-N 0 0 325.368 2.981 10 5 EFBERN Cc1nnccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000362036754 148744797 /nfs/dbraw/zinc/74/47/97/148744797.db2.gz LZTJGAWINPRKPD-UHFFFAOYSA-N 0 0 329.360 2.838 10 5 EFBERN CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000362235486 148782892 /nfs/dbraw/zinc/78/28/92/148782892.db2.gz PMWIHQCKNLGSHZ-GFCCVEGCSA-N 0 0 342.779 2.655 10 5 EFBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000362915524 148906187 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EFBERN Cc1ccc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000372536474 151023990 /nfs/dbraw/zinc/02/39/90/151023990.db2.gz JFJGYIZJELSNAZ-UHFFFAOYSA-N 0 0 329.356 2.849 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2cc[nH]c(=O)c2C1 ZINC000372864258 151072989 /nfs/dbraw/zinc/07/29/89/151072989.db2.gz XOCOANMJLLQEAT-UHFFFAOYSA-N 0 0 333.731 2.547 10 5 EFBERN Cc1ccc(NC(=O)C(=O)N2CC3(CCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000372978982 151091696 /nfs/dbraw/zinc/09/16/96/151091696.db2.gz HZYCBBKRJIJORV-LBPRGKRZSA-N 0 0 331.372 2.633 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000372987410 151093746 /nfs/dbraw/zinc/09/37/46/151093746.db2.gz YSVZUCQSCQSDJG-LBPRGKRZSA-N 0 0 345.399 2.941 10 5 EFBERN Cc1sc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000373073396 151108814 /nfs/dbraw/zinc/10/88/14/151108814.db2.gz DFBORMVQYFTKNU-LLVKDONJSA-N 0 0 334.401 2.718 10 5 EFBERN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373495958 151178879 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O=C([C@H]1CC12CCN(c1ccc([N+](=O)[O-])cn1)CC2)N1CCCCC1 ZINC000374527761 151363813 /nfs/dbraw/zinc/36/38/13/151363813.db2.gz RRCPOPAAZSMPNV-OAHLLOKOSA-N 0 0 344.415 2.609 10 5 EFBERN O=C(CN1CCOc2cccc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000374549079 151367731 /nfs/dbraw/zinc/36/77/31/151367731.db2.gz DCWHTZJRWKZNGF-UHFFFAOYSA-N 0 0 345.330 2.567 10 5 EFBERN CC1=C(c2ccco2)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000374547662 151367763 /nfs/dbraw/zinc/36/77/63/151367763.db2.gz CIYSRUMCHHHKCK-UHFFFAOYSA-N 0 0 325.328 2.914 10 5 EFBERN COc1ccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374646247 151388345 /nfs/dbraw/zinc/38/83/45/151388345.db2.gz KXDPYSYPKXGAGE-CQSZACIVSA-N 0 0 341.367 2.703 10 5 EFBERN Cc1nc2c(s1)[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000374805155 151415646 /nfs/dbraw/zinc/41/56/46/151415646.db2.gz HDVIJGZNGQSKAZ-AWEZNQCLSA-N 0 0 347.396 2.932 10 5 EFBERN O=C(N1CC[C@@]2(C1)CCCOC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000375324008 151512000 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Cc1cccc([C@H](O)CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271657886 266034905 /nfs/dbraw/zinc/03/49/05/266034905.db2.gz KPBHSBQKZQQQLL-SUMWQHHRSA-N 0 0 343.383 2.997 10 5 EFBERN CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271682811 266040404 /nfs/dbraw/zinc/04/04/04/266040404.db2.gz CFQYQGRCMDIYES-DOMZBBRYSA-N 0 0 337.420 2.998 10 5 EFBERN CCc1ccc(C2=CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000271862808 266083207 /nfs/dbraw/zinc/08/32/07/266083207.db2.gz YBMOGZLFMUMZMP-UHFFFAOYSA-N 0 0 340.383 2.820 10 5 EFBERN CCCCN(C)S(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090223359 272996562 /nfs/dbraw/zinc/99/65/62/272996562.db2.gz QDHMKQGQWOMRCP-AWEZNQCLSA-N 0 0 329.422 2.612 10 5 EFBERN C[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000272077385 266145797 /nfs/dbraw/zinc/14/57/97/266145797.db2.gz GRAJMEKLNHESMT-MNOVXSKESA-N 0 0 337.376 2.685 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn2c1CCCC2 ZINC000272140148 266166499 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C[C@H]1Sc2ccccc2N(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C ZINC000272419313 266260358 /nfs/dbraw/zinc/26/03/58/266260358.db2.gz MVZWTBCEDVRLRE-VHSXEESVSA-N 0 0 332.385 2.858 10 5 EFBERN CCOc1ccc(CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000272475720 266276755 /nfs/dbraw/zinc/27/67/55/266276755.db2.gz PYLJNJJEZHNEGB-UHFFFAOYSA-N 0 0 346.387 2.778 10 5 EFBERN CC(C)Cn1ccnc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272581455 266314069 /nfs/dbraw/zinc/31/40/69/266314069.db2.gz RTTVLQNRTFFRQV-UHFFFAOYSA-N 0 0 346.372 2.704 10 5 EFBERN CC[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1cc(C)ccc1OC ZINC000272578816 266314991 /nfs/dbraw/zinc/31/49/91/266314991.db2.gz QMDPXBXLKKPYIV-CYBMUJFWSA-N 0 0 333.344 2.953 10 5 EFBERN COC(=O)c1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377900 273001167 /nfs/dbraw/zinc/00/11/67/273001167.db2.gz WOETZCCPLXPQDX-LLVKDONJSA-N 0 0 340.335 2.973 10 5 EFBERN Cc1cc(C)nc(N2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000273396458 266491688 /nfs/dbraw/zinc/49/16/88/266491688.db2.gz LCIRRMDQWWOXPM-UHFFFAOYSA-N 0 0 341.415 2.632 10 5 EFBERN Cc1cc(C)c(Cc2noc(CCn3cc([N+](=O)[O-])cn3)n2)c(C)c1 ZINC000273756556 266548723 /nfs/dbraw/zinc/54/87/23/266548723.db2.gz RZTKLCOZQYAPIA-UHFFFAOYSA-N 0 0 341.371 2.933 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105899526 273004853 /nfs/dbraw/zinc/00/48/53/273004853.db2.gz BHAVBUBNFVQCHL-INIZCTEOSA-N 0 0 330.388 2.945 10 5 EFBERN CC(C)(C)[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000274381276 266641099 /nfs/dbraw/zinc/64/10/99/266641099.db2.gz GPWCDBKOTDKHRD-ZBFHGGJFSA-N 0 0 349.431 2.576 10 5 EFBERN CO[C@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000275813251 266879141 /nfs/dbraw/zinc/87/91/41/266879141.db2.gz DYBMBEGFRRGNSH-LRDDRELGSA-N 0 0 335.404 2.594 10 5 EFBERN CN(CCCCO)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000276159282 266933452 /nfs/dbraw/zinc/93/34/52/266933452.db2.gz ATVNJQNDWPSBCE-UHFFFAOYSA-N 0 0 337.254 2.731 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(O)CCCCC1 ZINC000276540854 267008688 /nfs/dbraw/zinc/00/86/88/267008688.db2.gz GDACSNDSGKLZKP-UHFFFAOYSA-N 0 0 326.780 2.982 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000276630947 267025120 /nfs/dbraw/zinc/02/51/20/267025120.db2.gz SSQMSOHZIDPOGU-GXFFZTMASA-N 0 0 326.780 2.838 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000276630950 267025708 /nfs/dbraw/zinc/02/57/08/267025708.db2.gz SSQMSOHZIDPOGU-MFKMUULPSA-N 0 0 326.780 2.838 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000276866280 267064932 /nfs/dbraw/zinc/06/49/32/267064932.db2.gz BYLHCBVTGMXDCH-VIFPVBQESA-N 0 0 348.421 2.558 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000276894971 267070109 /nfs/dbraw/zinc/07/01/09/267070109.db2.gz CVOPCERJGZVFEL-UHFFFAOYSA-N 0 0 342.355 2.851 10 5 EFBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](CC(F)(F)F)C1=O ZINC000277189188 267127227 /nfs/dbraw/zinc/12/72/27/267127227.db2.gz AXBRLAXMCJYWPS-IONNQARKSA-N 0 0 331.250 2.529 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277487918 267186615 /nfs/dbraw/zinc/18/66/15/267186615.db2.gz ROYSAGUJPYWVFR-SNVBAGLBSA-N 0 0 332.278 2.775 10 5 EFBERN Cc1c(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000277755580 267254445 /nfs/dbraw/zinc/25/44/45/267254445.db2.gz CJSOGAFKQBXWDO-ZWNOBZJWSA-N 0 0 346.305 2.679 10 5 EFBERN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O ZINC000277961637 267308614 /nfs/dbraw/zinc/30/86/14/267308614.db2.gz RXIKBKNBERTJMA-OICBVUGWSA-N 0 0 329.356 2.719 10 5 EFBERN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N1CCCC[C@@H]1C ZINC000277990001 267315367 /nfs/dbraw/zinc/31/53/67/267315367.db2.gz ZIRSYLSZRSUPNP-WDEREUQCSA-N 0 0 331.376 2.673 10 5 EFBERN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N1CCCC[C@H]1C ZINC000277989992 267315379 /nfs/dbraw/zinc/31/53/79/267315379.db2.gz ZIRSYLSZRSUPNP-MNOVXSKESA-N 0 0 331.376 2.673 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCC1 ZINC000278111238 267344734 /nfs/dbraw/zinc/34/47/34/267344734.db2.gz CFKWDKRGOYFJTR-UHFFFAOYSA-N 0 0 325.796 2.771 10 5 EFBERN COCCc1cccc(OC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000278231395 267374469 /nfs/dbraw/zinc/37/44/69/267374469.db2.gz KLRLQNYMJNGHPO-OAHLLOKOSA-N 0 0 347.367 2.602 10 5 EFBERN Cc1c(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000278228318 267374723 /nfs/dbraw/zinc/37/47/23/267374723.db2.gz FHEAMOKIZWEAGM-GFCCVEGCSA-N 0 0 342.277 2.670 10 5 EFBERN Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000278281252 267388985 /nfs/dbraw/zinc/38/89/85/267388985.db2.gz IIESPUMMCICGTK-LBPRGKRZSA-N 0 0 342.277 2.670 10 5 EFBERN COc1cc(C)c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1C ZINC000278297555 267392979 /nfs/dbraw/zinc/39/29/79/267392979.db2.gz GNLPNPGXAVJOMP-UHFFFAOYSA-N 0 0 332.360 2.754 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H]1c1cc[nH]n1 ZINC000278531262 267472385 /nfs/dbraw/zinc/47/23/85/267472385.db2.gz DVFRUAAZLFXMEP-OAHLLOKOSA-N 0 0 325.328 2.777 10 5 EFBERN CC1(C)CC[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000278720093 267533133 /nfs/dbraw/zinc/53/31/33/267533133.db2.gz HHCJQZFGOSBBCV-CYBMUJFWSA-N 0 0 326.780 2.865 10 5 EFBERN CSc1ccc(C(=O)NC[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000151706244 273020146 /nfs/dbraw/zinc/02/01/46/273020146.db2.gz XNGXYKIYLUWAIX-CQSZACIVSA-N 0 0 346.408 2.823 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000278847300 267579539 /nfs/dbraw/zinc/57/95/39/267579539.db2.gz WJJSUFLEHZMDBG-GWCFXTLKSA-N 0 0 326.780 2.790 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000278847316 267579892 /nfs/dbraw/zinc/57/98/92/267579892.db2.gz WJJSUFLEHZMDBG-MFKMUULPSA-N 0 0 326.780 2.790 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCOc2ccc(F)cc2F)c1 ZINC000172986326 273023581 /nfs/dbraw/zinc/02/35/81/273023581.db2.gz OYZODTCDIYCGJF-UHFFFAOYSA-N 0 0 336.294 2.990 10 5 EFBERN Cc1nc(NC(=O)CCc2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000175683009 273030512 /nfs/dbraw/zinc/03/05/12/273030512.db2.gz UWLUNCRJNXSHCC-UHFFFAOYSA-N 0 0 333.348 2.550 10 5 EFBERN CCC1(CC)CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000184581039 273049340 /nfs/dbraw/zinc/04/93/40/273049340.db2.gz DPSQTQMPIPEPOR-QHCPKHFHSA-N 0 0 339.417 2.750 10 5 EFBERN CCC1(CC)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000184579721 273049369 /nfs/dbraw/zinc/04/93/69/273049369.db2.gz GSAXBGSBUDNMRI-HSZRJFAPSA-N 0 0 339.417 2.750 10 5 EFBERN O=C(N[C@@H](CCO)c1ccco1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000187951695 273052799 /nfs/dbraw/zinc/05/27/99/273052799.db2.gz NAYHYJXALHCSDT-AWEZNQCLSA-N 0 0 329.312 2.523 10 5 EFBERN CCSc1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)ccn1 ZINC000189039173 273058819 /nfs/dbraw/zinc/05/88/19/273058819.db2.gz PWDNNUSOSVJICL-UHFFFAOYSA-N 0 0 332.385 2.735 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000270377508 273094008 /nfs/dbraw/zinc/09/40/08/273094008.db2.gz AVRMMQRNQDPUEQ-ZUZCIYMTSA-N 0 0 340.401 2.816 10 5 EFBERN CC[C@H](NC(=O)[C@@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000270425686 273095057 /nfs/dbraw/zinc/09/50/57/273095057.db2.gz OCHTXIDRGRDTLM-DOMZBBRYSA-N 0 0 328.372 2.690 10 5 EFBERN COc1ccccc1[C@@H](O)CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000271110819 273098267 /nfs/dbraw/zinc/09/82/67/273098267.db2.gz UGQVCPPAHUYSFG-AWEZNQCLSA-N 0 0 336.319 2.897 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000271704200 273106926 /nfs/dbraw/zinc/10/69/26/273106926.db2.gz TYEABYJVZWSXTO-SMDDNHRTSA-N 0 0 333.344 2.590 10 5 EFBERN Cc1sc(C(=O)NCC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000271884262 273111820 /nfs/dbraw/zinc/11/18/20/273111820.db2.gz NPVCLUFKWYUAGA-SNVBAGLBSA-N 0 0 326.418 2.883 10 5 EFBERN O=[N+]([O-])c1cc(Cl)cnc1NCCc1cn2c(n1)SCC2 ZINC000274256057 273127892 /nfs/dbraw/zinc/12/78/92/273127892.db2.gz IXQOZWRXWRVFSE-UHFFFAOYSA-N 0 0 325.781 2.600 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCOC3)C2)cc1C(F)(F)F ZINC000274354678 273133615 /nfs/dbraw/zinc/13/36/15/273133615.db2.gz BPDONEJOKRTHQC-ZDUSSCGKSA-N 0 0 332.278 2.609 10 5 EFBERN COc1ccc(CN2C(=O)N[C@H](CCC(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000277502939 273158505 /nfs/dbraw/zinc/15/85/05/273158505.db2.gz WUVJGOBVFQYQOO-GFCCVEGCSA-N 0 0 349.387 2.850 10 5 EFBERN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000278995650 273164635 /nfs/dbraw/zinc/16/46/35/273164635.db2.gz SNPUMTPICFEQPQ-TZMCWYRMSA-N 0 0 328.372 2.655 10 5 EFBERN CCC[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OCC ZINC000279449559 273216607 /nfs/dbraw/zinc/21/66/07/273216607.db2.gz KKWXPSNGZUMNKG-NSHDSACASA-N 0 0 347.371 2.785 10 5 EFBERN O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000279862537 273261862 /nfs/dbraw/zinc/26/18/62/273261862.db2.gz FTBXWBBKLLRGHZ-UHFFFAOYSA-N 0 0 347.339 2.763 10 5 EFBERN CNC(=O)COc1ccc(NCc2csc([N+](=O)[O-])c2)c(C)c1 ZINC000280222215 273303878 /nfs/dbraw/zinc/30/38/78/273303878.db2.gz JGQWNTHTLHOZCA-UHFFFAOYSA-N 0 0 335.385 2.702 10 5 EFBERN COC(=O)CC1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000280275300 273310339 /nfs/dbraw/zinc/31/03/39/273310339.db2.gz ZURKVQCNVASXEL-UHFFFAOYSA-N 0 0 340.763 2.854 10 5 EFBERN CC1(C)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@]2(CCOC2)O1 ZINC000280328256 273316063 /nfs/dbraw/zinc/31/60/63/273316063.db2.gz ULJDMECXNZFSQI-GOSISDBHSA-N 0 0 343.383 2.917 10 5 EFBERN CC1(C)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@]2(CCOC2)O1 ZINC000280328263 273316089 /nfs/dbraw/zinc/31/60/89/273316089.db2.gz ULJDMECXNZFSQI-SFHVURJKSA-N 0 0 343.383 2.917 10 5 EFBERN CC(C)c1nn(C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000280330707 273316546 /nfs/dbraw/zinc/31/65/46/273316546.db2.gz ZQOMULZFKRGKKG-UHFFFAOYSA-N 0 0 333.304 2.612 10 5 EFBERN CCc1ccc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280511688 273335791 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ZINC000153272815 293368480 /nfs/dbraw/zinc/36/84/80/293368480.db2.gz FGROYKYXCRSNMN-UHFFFAOYSA-N 0 0 341.367 2.600 10 5 EFBERN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153291931 293369177 /nfs/dbraw/zinc/36/91/77/293369177.db2.gz KYPDGGIHHWHLJG-CJNGLKHVSA-N 0 0 331.416 2.648 10 5 EFBERN Cc1ccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153380331 293372604 /nfs/dbraw/zinc/37/26/04/293372604.db2.gz DVWQROKQIOECLQ-UHFFFAOYSA-N 0 0 325.368 2.900 10 5 EFBERN Nc1nc(CN2CCc3c(cccc3[N+](=O)[O-])C2)nc2ccccc12 ZINC000153375162 293372938 /nfs/dbraw/zinc/37/29/38/293372938.db2.gz DRQGJOJQEVGJMX-UHFFFAOYSA-N 0 0 335.367 2.679 10 5 EFBERN CC[C@@H]1CCCCN1C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397242 293373725 /nfs/dbraw/zinc/37/37/25/293373725.db2.gz DICXYVJGHKKYCY-OAHLLOKOSA-N 0 0 331.416 2.744 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC000153623397 293384998 /nfs/dbraw/zinc/38/49/98/293384998.db2.gz LBDDCSLWCYOBIC-HNNXBMFYSA-N 0 0 346.408 2.744 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)NCC2(CCO)CCC2)cc1[N+](=O)[O-] ZINC000153836947 293396669 /nfs/dbraw/zinc/39/66/69/293396669.db2.gz QPKBVZRDWIJGTB-ZDUSSCGKSA-N 0 0 335.404 2.816 10 5 EFBERN CC(=O)c1ccc(OC[C@H](O)COc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000153844657 293396869 /nfs/dbraw/zinc/39/68/69/293396869.db2.gz UXLQCFIQHYLCGX-OAHLLOKOSA-N 0 0 345.351 2.925 10 5 EFBERN CCOc1ccc(C(=O)Nc2ccc(OC)nc2C)cc1[N+](=O)[O-] ZINC000154602690 293432483 /nfs/dbraw/zinc/43/24/83/293432483.db2.gz KZLDBWBAWWSXCN-UHFFFAOYSA-N 0 0 331.328 2.958 10 5 EFBERN CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000154680104 293436074 /nfs/dbraw/zinc/43/60/74/293436074.db2.gz QMXSSRMUFOUDOO-OAHLLOKOSA-N 0 0 335.385 2.561 10 5 EFBERN CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155448652 293471798 /nfs/dbraw/zinc/47/17/98/293471798.db2.gz BIUPGTOWKCAXRJ-UONOGXRCSA-N 0 0 344.458 2.688 10 5 EFBERN O=C(Nc1ccc2c(c1)OCO2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000157883177 293557720 /nfs/dbraw/zinc/55/77/20/293557720.db2.gz ZENIAKNNXMMZLE-UHFFFAOYSA-N 0 0 341.323 2.914 10 5 EFBERN CC(C)CCOC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000157958068 293559941 /nfs/dbraw/zinc/55/99/41/293559941.db2.gz HDMOBBLKPNZYSN-UHFFFAOYSA-N 0 0 333.392 2.669 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[S@@](C)=O ZINC000158202255 293567169 /nfs/dbraw/zinc/56/71/69/293567169.db2.gz XZGGRLXWDSKCIG-MGUXCZDKSA-N 0 0 344.458 2.594 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[S@](C)=O ZINC000158201841 293567339 /nfs/dbraw/zinc/56/73/39/293567339.db2.gz XZGGRLXWDSKCIG-ZQJOYCHOSA-N 0 0 344.458 2.594 10 5 EFBERN CCOCc1nc([C@H](C)NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000289970833 293960871 /nfs/dbraw/zinc/96/08/71/293960871.db2.gz RDHJNIPPDQSDBR-JTQLQIEISA-N 0 0 349.347 2.705 10 5 EFBERN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000290036102 293982613 /nfs/dbraw/zinc/98/26/13/293982613.db2.gz HJHVWWHRQOCIIU-ACJLOTCBSA-N 0 0 328.368 2.766 10 5 EFBERN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000290114015 294002940 /nfs/dbraw/zinc/00/29/40/294002940.db2.gz DPAMTDKPCQFAOT-MNOVXSKESA-N 0 0 333.417 2.721 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(-c3ccon3)no2)c1 ZINC000290154494 294012435 /nfs/dbraw/zinc/01/24/35/294012435.db2.gz SGINPTQONKDUBS-UHFFFAOYSA-N 0 0 327.300 2.900 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CS(=O)(=O)c2ccccc21 ZINC000290305757 294052851 /nfs/dbraw/zinc/05/28/51/294052851.db2.gz BSXHSWOUHMZOBQ-HNNXBMFYSA-N 0 0 332.381 2.521 10 5 EFBERN Cc1sc(C(=O)N[C@H]2COc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000290617942 294137299 /nfs/dbraw/zinc/13/72/99/294137299.db2.gz LOPWVDOCAISCCC-LLVKDONJSA-N 0 0 336.344 2.837 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](n2cc(C)cn2)C1 ZINC000290652768 294147100 /nfs/dbraw/zinc/14/71/00/294147100.db2.gz HWIYTZSFTRWWRL-ZGUWOUCSSA-N 0 0 340.383 2.977 10 5 EFBERN CCOCc1nc([C@@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])no1 ZINC000290690278 294158264 /nfs/dbraw/zinc/15/82/64/294158264.db2.gz MIOGNNWONYOWGV-SSDOTTSWSA-N 0 0 327.728 2.736 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000290694886 294159548 /nfs/dbraw/zinc/15/95/48/294159548.db2.gz KCGHZERHNBLVJA-LLVKDONJSA-N 0 0 332.751 2.772 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290699822 294160686 /nfs/dbraw/zinc/16/06/86/294160686.db2.gz LNANGZSVVTYJGA-CYBMUJFWSA-N 0 0 334.763 2.840 10 5 EFBERN COC(=O)c1cc(C)nc(N2CC3(CCC3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000290752231 294175178 /nfs/dbraw/zinc/17/51/78/294175178.db2.gz SPMYCDVECPMGIK-CQSZACIVSA-N 0 0 331.372 2.854 10 5 EFBERN C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000290757725 294176422 /nfs/dbraw/zinc/17/64/22/294176422.db2.gz JPSLXKDXHLVNST-IINYFYTJSA-N 0 0 344.346 2.815 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCc1nccs1 ZINC000290933623 294223883 /nfs/dbraw/zinc/22/38/83/294223883.db2.gz MXHIVLASCFKHNS-UHFFFAOYSA-N 0 0 348.428 2.868 10 5 EFBERN CC[C@H](NC(=O)N[C@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290947386 294227762 /nfs/dbraw/zinc/22/77/62/294227762.db2.gz GNSJYULZWKCJJU-JKSUJKDBSA-N 0 0 335.404 2.896 10 5 EFBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290966512 294233646 /nfs/dbraw/zinc/23/36/46/294233646.db2.gz PFQHNBRGONHNDO-VIFPVBQESA-N 0 0 346.391 2.522 10 5 EFBERN CO[C@H](C)CN(C(C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000354577886 294254056 /nfs/dbraw/zinc/25/40/56/294254056.db2.gz PPKFQJZMWGQWPF-CYBMUJFWSA-N 0 0 344.433 2.646 10 5 EFBERN CCN(C[C@H]1CCCO1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000291052795 294260273 /nfs/dbraw/zinc/26/02/73/294260273.db2.gz QPCSUKSFHBTHLF-OAHLLOKOSA-N 0 0 345.403 2.879 10 5 EFBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000291120408 294281823 /nfs/dbraw/zinc/28/18/23/294281823.db2.gz NGTPVYODNVRYDH-HNNXBMFYSA-N 0 0 345.403 2.879 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1cn[nH]c1 ZINC000291188438 294304088 /nfs/dbraw/zinc/30/40/88/294304088.db2.gz SLWSFLVZBWSGML-UHFFFAOYSA-N 0 0 345.237 2.900 10 5 EFBERN COCCC1(C)CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000291291377 294337927 /nfs/dbraw/zinc/33/79/27/294337927.db2.gz ROZMOFIZTPKOOJ-UHFFFAOYSA-N 0 0 335.404 2.672 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1noc(COC(C)C)n1 ZINC000291329664 294350035 /nfs/dbraw/zinc/35/00/35/294350035.db2.gz RXDBWYXVRCTJBI-NSHDSACASA-N 0 0 348.359 2.702 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ncccc1N(C)C ZINC000291361530 294359087 /nfs/dbraw/zinc/35/90/87/294359087.db2.gz BLTVSUSBQNPEMQ-UHFFFAOYSA-N 0 0 348.790 2.948 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H](C)[C@@H](C)O1 ZINC000408445705 297079734 /nfs/dbraw/zinc/07/97/34/297079734.db2.gz YTVYYOBCFLNUFI-MGPQQGTHSA-N 0 0 347.415 2.833 10 5 EFBERN COC(=O)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291442539 294383038 /nfs/dbraw/zinc/38/30/38/294383038.db2.gz IXAAFIKWEQGSIO-ZETCQYMHSA-N 0 0 347.154 2.537 10 5 EFBERN O=C([C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1)N1CCCC1 ZINC000291797387 294487351 /nfs/dbraw/zinc/48/73/51/294487351.db2.gz DPZJCHARLGZHRY-CYBMUJFWSA-N 0 0 340.383 2.592 10 5 EFBERN CC(C)N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291821516 294493434 /nfs/dbraw/zinc/49/34/34/294493434.db2.gz YUGZRTVQEZLIJF-OAHLLOKOSA-N 0 0 347.415 2.835 10 5 EFBERN O=C(N[C@H]1CCCOC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000291825986 294495213 /nfs/dbraw/zinc/49/52/13/294495213.db2.gz SNEBQSOYSQOQLX-ZDUSSCGKSA-N 0 0 327.340 2.566 10 5 EFBERN CC1(C)CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000291839446 294499937 /nfs/dbraw/zinc/49/99/37/294499937.db2.gz GSIXMGUXRKHZAU-SFHVURJKSA-N 0 0 343.383 2.917 10 5 EFBERN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000291912249 294520126 /nfs/dbraw/zinc/52/01/26/294520126.db2.gz KZGRKSGGCDHUKE-PXAZEXFGSA-N 0 0 329.356 2.527 10 5 EFBERN Cc1c(NC(=O)[C@H](C)Nc2cn(C)nc2C2CC2)cccc1[N+](=O)[O-] ZINC000291915960 294520968 /nfs/dbraw/zinc/52/09/68/294520968.db2.gz ODERQJBILHUATO-NSHDSACASA-N 0 0 343.387 2.953 10 5 EFBERN CC[C@H]1CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000291918374 294522188 /nfs/dbraw/zinc/52/21/88/294522188.db2.gz KSTGBQILTLCWEO-QMMMGPOBSA-N 0 0 349.206 2.530 10 5 EFBERN CC(=O)N1CCC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291981025 294541843 /nfs/dbraw/zinc/54/18/43/294541843.db2.gz PUBGDVNRHVQUBM-ZDUSSCGKSA-N 0 0 328.372 2.813 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292348596 294654979 /nfs/dbraw/zinc/65/49/79/294654979.db2.gz PQJPDGRDXCHOQX-OLZOCXBDSA-N 0 0 346.355 2.569 10 5 EFBERN Cn1cc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c(C2CC2)n1 ZINC000292420425 294678120 /nfs/dbraw/zinc/67/81/20/294678120.db2.gz TYYIFQQBSUAWHT-UHFFFAOYSA-N 0 0 327.344 2.834 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000292631510 294742171 /nfs/dbraw/zinc/74/21/71/294742171.db2.gz SNSAHSQNYOVRMJ-OLZOCXBDSA-N 0 0 335.404 2.738 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])c1ncnc2c1ncn2C1CC1 ZINC000292751001 294775975 /nfs/dbraw/zinc/77/59/75/294775975.db2.gz NOXVRWWORKUYHF-UHFFFAOYSA-N 0 0 338.371 2.748 10 5 EFBERN CCC[C@H](C)C(=O)NCCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000292865976 294808610 /nfs/dbraw/zinc/80/86/10/294808610.db2.gz XIQLKUBSGLTLMG-JTQLQIEISA-N 0 0 327.356 2.707 10 5 EFBERN CCc1cc(N2CC[C@H]2COC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293212013 294908972 /nfs/dbraw/zinc/90/89/72/294908972.db2.gz VBQBVKYBASNFAB-HNNXBMFYSA-N 0 0 328.372 2.839 10 5 EFBERN COc1cc(C(=O)N(C[C@@H](C)OC)C(C)C)c([N+](=O)[O-])cc1F ZINC000410511008 294925620 /nfs/dbraw/zinc/92/56/20/294925620.db2.gz QGWINIQKKZBCLZ-SNVBAGLBSA-N 0 0 328.340 2.628 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000293785934 295049203 /nfs/dbraw/zinc/04/92/03/295049203.db2.gz WLNUVMVAVQKCBX-SECBINFHSA-N 0 0 340.792 2.700 10 5 EFBERN Cc1ccc(C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1 ZINC000293865271 295066882 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ZINC000301269537 311128233 /nfs/dbraw/zinc/12/82/33/311128233.db2.gz JIZMIISVAPTJTR-UHFFFAOYSA-N 0 0 332.791 2.965 10 5 EFBERN Cc1csc(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])n1 ZINC000301290084 311129517 /nfs/dbraw/zinc/12/95/17/311129517.db2.gz ONWGSEYEGLXLAP-UHFFFAOYSA-N 0 0 331.357 2.645 10 5 EFBERN O=c1c([N+](=O)[O-])c(NCCOC2CCCCCC2)nc2ccccn21 ZINC000301305474 311130352 /nfs/dbraw/zinc/13/03/52/311130352.db2.gz YDMLEADTPCBUPJ-UHFFFAOYSA-N 0 0 346.387 2.754 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000301356770 311133259 /nfs/dbraw/zinc/13/32/59/311133259.db2.gz NFFBBGYRFWMTJE-YPMHNXCESA-N 0 0 332.747 2.710 10 5 EFBERN CNC(=O)c1ccc(CN(C)c2cc(OC)cc(F)c2[N+](=O)[O-])cc1 ZINC000301358020 311133399 /nfs/dbraw/zinc/13/33/99/311133399.db2.gz PHXOCVLECUGZPJ-UHFFFAOYSA-N 0 0 347.346 2.739 10 5 EFBERN CN(CC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1Br ZINC000301378407 311134431 /nfs/dbraw/zinc/13/44/31/311134431.db2.gz YWLVAUBXRFQGRE-UHFFFAOYSA-N 0 0 344.209 2.708 10 5 EFBERN CC(C)(C)OC(=O)N1CC(Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301385973 311134765 /nfs/dbraw/zinc/13/47/65/311134765.db2.gz CKVKTZASLZQCNP-UHFFFAOYSA-N 0 0 328.756 2.674 10 5 EFBERN NC(=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301382254 311134800 /nfs/dbraw/zinc/13/48/00/311134800.db2.gz AOGQVTDVZBRJNV-BDAKNGLRSA-N 0 0 329.303 2.652 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000301448158 311137858 /nfs/dbraw/zinc/13/78/58/311137858.db2.gz DTOKIHURLIFSCP-NSHDSACASA-N 0 0 345.321 2.798 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCCC(=O)N2CCCCCC2)c1 ZINC000301448670 311137939 /nfs/dbraw/zinc/13/79/39/311137939.db2.gz RMYMINZIRWBVME-UHFFFAOYSA-N 0 0 339.367 2.947 10 5 EFBERN O=C(NCC(F)(F)F)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000301454200 311138115 /nfs/dbraw/zinc/13/81/15/311138115.db2.gz GUOPPKRKUQWANK-SECBINFHSA-N 0 0 349.284 2.629 10 5 EFBERN CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCS(=O)CC1 ZINC000301451345 311138142 /nfs/dbraw/zinc/13/81/42/311138142.db2.gz AEDJMISBAYFWFF-UHFFFAOYSA-N 0 0 336.335 2.961 10 5 EFBERN CCc1cnc(CCNc2ccc(C(=O)NC)cc2[N+](=O)[O-])s1 ZINC000301469251 311138832 /nfs/dbraw/zinc/13/88/32/311138832.db2.gz NQZLMRYONHGYLR-UHFFFAOYSA-N 0 0 334.401 2.628 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000301485361 311140177 /nfs/dbraw/zinc/14/01/77/311140177.db2.gz WNLHGTFUEDMMMC-VIFPVBQESA-N 0 0 325.340 2.554 10 5 EFBERN C[C@H]1c2ccccc2CCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301492917 311140812 /nfs/dbraw/zinc/14/08/12/311140812.db2.gz PUCYAPAJEFDIJR-LBPRGKRZSA-N 0 0 336.351 2.726 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1C[C@H]2CCCC[C@@H]2C1 ZINC000301539989 311143264 /nfs/dbraw/zinc/14/32/64/311143264.db2.gz JUNMRMJINSQOFD-GHMZBOCLSA-N 0 0 349.343 2.916 10 5 EFBERN CC[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000301564280 311144872 /nfs/dbraw/zinc/14/48/72/311144872.db2.gz PNXOSLOKOHRREQ-JTQLQIEISA-N 0 0 341.414 2.867 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H]2CC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000301609031 311147504 /nfs/dbraw/zinc/14/75/04/311147504.db2.gz ARNFJVISXAMATG-QCCHYHNISA-N 0 0 334.372 2.744 10 5 EFBERN COc1cc(N2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000301626899 311148433 /nfs/dbraw/zinc/14/84/33/311148433.db2.gz QPCVTZPQUQGSPD-UHFFFAOYSA-N 0 0 347.346 2.775 10 5 EFBERN COc1cc(NCC(=O)NC2CCCCC2)c([N+](=O)[O-])cc1F ZINC000301626892 311148506 /nfs/dbraw/zinc/14/85/06/311148506.db2.gz QONAFMRKNGPKNP-UHFFFAOYSA-N 0 0 325.340 2.603 10 5 EFBERN O=[N+]([O-])c1ccccc1N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000301634277 311149091 /nfs/dbraw/zinc/14/90/91/311149091.db2.gz KHOPNZAVDNJWTM-RBUKOAKNSA-N 0 0 339.395 2.684 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000301642693 311149617 /nfs/dbraw/zinc/14/96/17/311149617.db2.gz BVWATYRUNSWSLY-ZJUUUORDSA-N 0 0 326.324 2.886 10 5 EFBERN COC(=O)c1cc(N2CCO[C@@H](c3ccco3)C2)cc(C)c1[N+](=O)[O-] ZINC000301648368 311149780 /nfs/dbraw/zinc/14/97/80/311149780.db2.gz FHDBCQWYOHIFCN-OAHLLOKOSA-N 0 0 346.339 2.861 10 5 EFBERN COC(=O)c1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000301670416 311151459 /nfs/dbraw/zinc/15/14/59/311151459.db2.gz FEDMPKFIBPUOKY-GFCCVEGCSA-N 0 0 349.387 2.501 10 5 EFBERN O=[N+]([O-])c1ccc(Br)cc1NCCCCn1cnnc1 ZINC000301674671 311151541 /nfs/dbraw/zinc/15/15/41/311151541.db2.gz PFGJHNCWPLRYJT-UHFFFAOYSA-N 0 0 340.181 2.841 10 5 EFBERN CC(C)CC[C@](C)(O)CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301687256 311152161 /nfs/dbraw/zinc/15/21/61/311152161.db2.gz MEBUHBXABWPQMZ-INIZCTEOSA-N 0 0 337.376 2.525 10 5 EFBERN CC(C)CC[C@@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301700833 311153265 /nfs/dbraw/zinc/15/32/65/311153265.db2.gz PRVOEAKLPSHPKF-LBPRGKRZSA-N 0 0 341.433 2.647 10 5 EFBERN COC(=O)c1cc(NC[C@H](O)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000301714065 311154337 /nfs/dbraw/zinc/15/43/37/311154337.db2.gz WIVNITUBCAIZSJ-INIZCTEOSA-N 0 0 330.340 2.835 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cccc(O)c3)C2)c(Cl)c1 ZINC000301731018 311155360 /nfs/dbraw/zinc/15/53/60/311155360.db2.gz SKAGMYYLMQBQFK-CQSZACIVSA-N 0 0 335.747 2.927 10 5 EFBERN COC(=O)c1cc(N2CC[C@H]3OCCC[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000301741730 311156041 /nfs/dbraw/zinc/15/60/41/311156041.db2.gz YGBBUCATYRNPEQ-SWLSCSKDSA-N 0 0 334.372 2.695 10 5 EFBERN CCOC(=O)[C@]1(C)CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000301749365 311156416 /nfs/dbraw/zinc/15/64/16/311156416.db2.gz HSXJGMYHKWIGGT-QGZVFWFLSA-N 0 0 329.356 2.923 10 5 EFBERN CC(C)Cn1ccnc1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301756689 311156753 /nfs/dbraw/zinc/15/67/53/311156753.db2.gz LBNYUYOICARQLH-UHFFFAOYSA-N 0 0 342.359 2.708 10 5 EFBERN COc1cc(N[C@@H]2CCN(c3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000301787589 311158255 /nfs/dbraw/zinc/15/82/55/311158255.db2.gz XERMJTCDXNSRJC-LLVKDONJSA-N 0 0 332.335 2.828 10 5 EFBERN CCN(CC)C(=O)[C@@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000301800251 311159138 /nfs/dbraw/zinc/15/91/38/311159138.db2.gz SNQKDRNVOMPTFY-ZDUSSCGKSA-N 0 0 327.331 2.710 10 5 EFBERN CN(CCOc1ccc(Cl)cc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301826111 311161148 /nfs/dbraw/zinc/16/11/48/311161148.db2.gz DYDLQUBUHIMARA-UHFFFAOYSA-N 0 0 347.762 2.806 10 5 EFBERN Cc1nc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c(C)s1 ZINC000301831804 311161504 /nfs/dbraw/zinc/16/15/04/311161504.db2.gz ISIPDNKKFQJNKM-UHFFFAOYSA-N 0 0 334.357 2.611 10 5 EFBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000301848071 311162206 /nfs/dbraw/zinc/16/22/06/311162206.db2.gz NWBGFEFNKDSHHT-KBRIMQKVSA-N 0 0 334.372 2.570 10 5 EFBERN COc1ccc([C@@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301847527 311162241 /nfs/dbraw/zinc/16/22/41/311162241.db2.gz UXOKXDQSLFPEND-AWEZNQCLSA-N 0 0 339.355 2.988 10 5 EFBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1CC(F)F ZINC000301855584 311162932 /nfs/dbraw/zinc/16/29/32/311162932.db2.gz BWXVZFKOSLWXFG-SNVBAGLBSA-N 0 0 344.318 2.669 10 5 EFBERN O=[N+]([O-])c1ccc(NCc2ccnc(O[C@H]3CCOC3)c2)c(F)c1 ZINC000301859739 311163106 /nfs/dbraw/zinc/16/31/06/311163106.db2.gz DEWJWOUVFNNJPX-ZDUSSCGKSA-N 0 0 333.319 2.909 10 5 EFBERN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CCN1CC(F)F ZINC000301863838 311163580 /nfs/dbraw/zinc/16/35/80/311163580.db2.gz FIRUVAIFPZTTAC-LLVKDONJSA-N 0 0 329.347 2.769 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3CCCC[C@@H]3C2)s1 ZINC000301920657 311166896 /nfs/dbraw/zinc/16/68/96/311166896.db2.gz DBSLINUALOBVNC-NXEZZACHSA-N 0 0 330.431 2.686 10 5 EFBERN Cc1nc(N[C@H](C)Cn2ncc3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000301926785 311167159 /nfs/dbraw/zinc/16/71/59/311167159.db2.gz ZDXHZPKCZXAIJC-LLVKDONJSA-N 0 0 339.355 2.509 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCOc3cccc(Cl)c3)nn21 ZINC000301946637 311168220 /nfs/dbraw/zinc/16/82/20/311168220.db2.gz XOJRXEXXYVBULM-UHFFFAOYSA-N 0 0 333.735 2.782 10 5 EFBERN COc1ccc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c(OC)c1 ZINC000301945181 311168252 /nfs/dbraw/zinc/16/82/52/311168252.db2.gz XBGXTGIDBIDFAA-JTQLQIEISA-N 0 0 343.343 2.828 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](Nc4ccccc4)C3)nn21 ZINC000301955450 311168458 /nfs/dbraw/zinc/16/84/58/311168458.db2.gz KQASBGWKOHUUBA-AWEZNQCLSA-N 0 0 338.371 2.718 10 5 EFBERN C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301967851 311169429 /nfs/dbraw/zinc/16/94/29/311169429.db2.gz OZZVXPNSKDZTAY-AAEUAGOBSA-N 0 0 327.344 2.562 10 5 EFBERN CC(C)(CNc1ccc2ncc([N+](=O)[O-])n2n1)CC1CCOCC1 ZINC000301975601 311169755 /nfs/dbraw/zinc/16/97/55/311169755.db2.gz VUWCDIZSKRNNKO-UHFFFAOYSA-N 0 0 333.392 2.892 10 5 EFBERN CCO[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C12CCCC2 ZINC000301996258 311171019 /nfs/dbraw/zinc/17/10/19/311171019.db2.gz OMZUOTNOITUOKN-RYUDHWBXSA-N 0 0 331.376 2.787 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCC3(c4cccc(F)c4)CC3)nn21 ZINC000301997113 311171042 /nfs/dbraw/zinc/17/10/42/311171042.db2.gz OZAMBMMPKGIVNT-UHFFFAOYSA-N 0 0 327.319 2.920 10 5 EFBERN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cn2)nc1C1CC1 ZINC000302016205 311172253 /nfs/dbraw/zinc/17/22/53/311172253.db2.gz FQDFCZQRJCTBKE-UHFFFAOYSA-N 0 0 328.328 2.661 10 5 EFBERN Cc1nc(CN(C)c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)no1 ZINC000302020660 311172498 /nfs/dbraw/zinc/17/24/98/311172498.db2.gz HYPVQZXPVVTJDW-UHFFFAOYSA-N 0 0 325.328 2.985 10 5 EFBERN COc1c(C)cc(CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)cc1C ZINC000302019237 311172597 /nfs/dbraw/zinc/17/25/97/311172597.db2.gz ZYYVFEFHKHSEDN-UHFFFAOYSA-N 0 0 341.371 2.899 10 5 EFBERN O=c1[nH]cnc2cc(NCc3ccc(Cl)cn3)c([N+](=O)[O-])cc12 ZINC000302024495 311172689 /nfs/dbraw/zinc/17/26/89/311172689.db2.gz PINZPOOOGPMBJE-UHFFFAOYSA-N 0 0 331.719 2.904 10 5 EFBERN C[C@@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000302035065 311173803 /nfs/dbraw/zinc/17/38/03/311173803.db2.gz LOPQBJSGMFHHAC-MRXNPFEDSA-N 0 0 338.310 2.685 10 5 EFBERN Cc1ccc(N2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)nc1 ZINC000302035601 311173819 /nfs/dbraw/zinc/17/38/19/311173819.db2.gz 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CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C(C)(C)O1 ZINC000302061551 311175495 /nfs/dbraw/zinc/17/54/95/311175495.db2.gz RIJQUGYTIFRTFL-CYBMUJFWSA-N 0 0 342.417 2.756 10 5 EFBERN COC(=O)[C@@]12CCC[C@H]1CN(c1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000302065414 311175820 /nfs/dbraw/zinc/17/58/20/311175820.db2.gz AQLRLYRBTLRCGE-MGPLVRAMSA-N 0 0 338.335 2.522 10 5 EFBERN C[C@H]1CCC[C@@H](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302064246 311175923 /nfs/dbraw/zinc/17/59/23/311175923.db2.gz CLEUXIPGSFPSDP-RYUDHWBXSA-N 0 0 341.433 2.871 10 5 EFBERN C[C@@H]1CCC[C@H](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302064247 311175925 /nfs/dbraw/zinc/17/59/25/311175925.db2.gz CLEUXIPGSFPSDP-VXGBXAGGSA-N 0 0 341.433 2.871 10 5 EFBERN C[C@H]1CCC[C@H](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302064245 311175982 /nfs/dbraw/zinc/17/59/82/311175982.db2.gz CLEUXIPGSFPSDP-NWDGAFQWSA-N 0 0 341.433 2.871 10 5 EFBERN NC(=O)c1cncc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000302072500 311176267 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311200469 /nfs/dbraw/zinc/20/04/69/311200469.db2.gz QWVVFKNKYLUTTI-ONGXEEELSA-N 0 0 326.324 2.890 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H]1CC[C@H](OC)C1 ZINC000302779826 311200671 /nfs/dbraw/zinc/20/06/71/311200671.db2.gz QWVVFKNKYLUTTI-KOLCDFICSA-N 0 0 326.324 2.890 10 5 EFBERN CNC(=O)c1ccc(NCCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])c1 ZINC000302778845 311200672 /nfs/dbraw/zinc/20/06/72/311200672.db2.gz QHWJWSKQAPFFNZ-UHFFFAOYSA-N 0 0 343.383 2.931 10 5 EFBERN COC(=O)c1cnc(NCc2ccn(C3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000302785413 311201181 /nfs/dbraw/zinc/20/11/81/311201181.db2.gz VNISWHMKQHXZJE-UHFFFAOYSA-N 0 0 345.359 2.700 10 5 EFBERN COc1ccc(OC)c([C@H](O)CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302818882 311202437 /nfs/dbraw/zinc/20/24/37/311202437.db2.gz NRYMTFBXIMWSOV-OAHLLOKOSA-N 0 0 336.319 2.897 10 5 EFBERN C[C@@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])cn2)CCO1 ZINC000302825341 311203319 /nfs/dbraw/zinc/20/33/19/311203319.db2.gz YSXCAWZJJUHMCV-GFCCVEGCSA-N 0 0 346.362 2.966 10 5 EFBERN CN(C)c1noc(C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000302842708 311204108 /nfs/dbraw/zinc/20/41/08/311204108.db2.gz MQIWQQFMHBCART-UHFFFAOYSA-N 0 0 335.339 2.567 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302843677 311204140 /nfs/dbraw/zinc/20/41/40/311204140.db2.gz FHDCHNBSFDFYOG-UHFFFAOYSA-N 0 0 346.318 2.969 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000305207311 311220305 /nfs/dbraw/zinc/22/03/05/311220305.db2.gz GLIUINDJWQKMGG-DYVFJYSZSA-N 0 0 328.368 2.625 10 5 EFBERN Cc1c(Br)c(N[C@@H]2COCC2(C)C)ncc1[N+](=O)[O-] ZINC000313064599 311231216 /nfs/dbraw/zinc/23/12/16/311231216.db2.gz LDPFKGAHBNQZPZ-SECBINFHSA-N 0 0 330.182 2.898 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(SCC(=O)OC(C)(C)C)c1 ZINC000318371006 311236390 /nfs/dbraw/zinc/23/63/90/311236390.db2.gz ZOXPCNHHNJIHFQ-UHFFFAOYSA-N 0 0 327.358 2.815 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C)N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000320026039 311237242 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349.431 2.652 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330719081 311330894 /nfs/dbraw/zinc/33/08/94/311330894.db2.gz WBBCKNPSMXDVLS-WQVCFCJDSA-N 0 0 349.431 2.651 10 5 EFBERN CC(C)C(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330803655 311336218 /nfs/dbraw/zinc/33/62/18/311336218.db2.gz JYCQLMRERHRRJI-UHFFFAOYSA-N 0 0 325.796 2.548 10 5 EFBERN CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000330832202 311337569 /nfs/dbraw/zinc/33/75/69/311337569.db2.gz SHBQMKRSYOZMQB-LBPRGKRZSA-N 0 0 344.314 2.572 10 5 EFBERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330863275 311339595 /nfs/dbraw/zinc/33/95/95/311339595.db2.gz MTJCWNDXWCDHPA-SCLBCKFNSA-N 0 0 334.416 2.831 10 5 EFBERN C[C@H](O)CCN(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330932299 311344555 /nfs/dbraw/zinc/34/45/55/311344555.db2.gz XQAKLJSXTKIMLY-KBPBESRZSA-N 0 0 349.431 2.674 10 5 EFBERN C[C@@H](O)C[C@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331147749 311357206 /nfs/dbraw/zinc/35/72/06/311357206.db2.gz YVDCGNJJSINZAN-GHMZBOCLSA-N 0 0 342.342 2.568 10 5 EFBERN CC1(C)CCC[C@](O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000331237648 311362529 /nfs/dbraw/zinc/36/25/29/311362529.db2.gz HTZGXIISPPOYDP-GOSISDBHSA-N 0 0 334.416 2.975 10 5 EFBERN Cn1cnc2cc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)ccc21 ZINC000342362866 311724106 /nfs/dbraw/zinc/72/41/06/311724106.db2.gz UIMVWEPKSUILIP-UHFFFAOYSA-N 0 0 346.293 2.941 10 5 EFBERN CCC[C@@]1(C)NC(=O)N(CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000348988235 311752803 /nfs/dbraw/zinc/75/28/03/311752803.db2.gz YKSJUIZXYXLLLQ-QGZVFWFLSA-N 0 0 344.371 2.729 10 5 EFBERN COc1cc(Cc2noc([C@@H]3CCOC[C@@H]3C)n2)ccc1[N+](=O)[O-] ZINC000350169681 311789545 /nfs/dbraw/zinc/78/95/45/311789545.db2.gz UZRLQZLPDIBXEB-CMPLNLGQSA-N 0 0 333.344 2.717 10 5 EFBERN C/C(=C/c1nc(CC(=O)NC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000350673057 311816727 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COc1cccc(C(=O)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)n1 ZINC000351655868 311885217 /nfs/dbraw/zinc/88/52/17/311885217.db2.gz OURXKUNWKIXIAN-UHFFFAOYSA-N 0 0 326.312 2.539 10 5 EFBERN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1csnn1 ZINC000412791584 312014012 /nfs/dbraw/zinc/01/40/12/312014012.db2.gz GZTOTOFHBDEOHZ-ZCFIWIBFSA-N 0 0 344.299 2.539 10 5 EFBERN CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412849200 312023276 /nfs/dbraw/zinc/02/32/76/312023276.db2.gz ZWTICKNBMCMDCS-UHFFFAOYSA-N 0 0 343.387 2.826 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000412939636 312039249 /nfs/dbraw/zinc/03/92/49/312039249.db2.gz QLVIDKJJOSEXKP-VXGBXAGGSA-N 0 0 338.429 2.988 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000412938897 312039301 /nfs/dbraw/zinc/03/93/01/312039301.db2.gz PVJOTADPQPPCOL-ARFHVFGLSA-N 0 0 334.416 2.831 10 5 EFBERN CC(C)Oc1cc(C(=O)N[C@@H]2CCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000412941337 312039655 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C[C@H]1CC(C)(C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416614888 312193589 /nfs/dbraw/zinc/19/35/89/312193589.db2.gz IRWTXOJKMMALTH-LBPRGKRZSA-N 0 0 326.418 2.588 10 5 EFBERN Cc1c(-c2noc(C3CN(CC(F)(F)F)C3)n2)cccc1[N+](=O)[O-] ZINC000420501944 312372159 /nfs/dbraw/zinc/37/21/59/312372159.db2.gz PVNYCUIRYZEOHQ-UHFFFAOYSA-N 0 0 342.277 2.915 10 5 EFBERN COc1c(C)cc(CN(C)c2c(C(N)=O)cccc2[N+](=O)[O-])cc1C ZINC000420585462 312373728 /nfs/dbraw/zinc/37/37/28/312373728.db2.gz NVNNFCRFLMYMAL-UHFFFAOYSA-N 0 0 343.383 2.956 10 5 EFBERN COc1ccccc1[C@]1(C)C[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420606291 312375305 /nfs/dbraw/zinc/37/53/05/312375305.db2.gz WVHLAWNOLIHQAO-YJBOKZPZSA-N 0 0 341.367 2.844 10 5 EFBERN O=c1[nH]c(NC[C@@H]2CC23CCSCC3)nc2ccc([N+](=O)[O-])cc21 ZINC000420656509 312379801 /nfs/dbraw/zinc/37/98/01/312379801.db2.gz UPHRQMDEUUNQKN-JTQLQIEISA-N 0 0 346.412 2.611 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CC12CCSCC2 ZINC000420789950 312391009 /nfs/dbraw/zinc/39/10/09/312391009.db2.gz GIVCEPMIUQXLBR-CQSZACIVSA-N 0 0 349.456 2.970 10 5 EFBERN CC1(C)CC[C@H](N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000424102116 312510959 /nfs/dbraw/zinc/51/09/59/312510959.db2.gz ZVERITWMBIAEFE-SUMWQHHRSA-N 0 0 331.372 2.941 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCCC3)c2)n1 ZINC000427266554 312540277 /nfs/dbraw/zinc/54/02/77/312540277.db2.gz KCUOBMNEVKDYNU-UHFFFAOYSA-N 0 0 329.360 2.664 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1cnccc1C ZINC000432431212 312564897 /nfs/dbraw/zinc/56/48/97/312564897.db2.gz VLYDCCMIJJVILP-UHFFFAOYSA-N 0 0 330.344 2.971 10 5 EFBERN CCOC(=O)c1cc(-c2nc(-c3cscn3)no2)cc([N+](=O)[O-])c1 ZINC000432681658 312577510 /nfs/dbraw/zinc/57/75/10/312577510.db2.gz OMECGRFLHSKGLN-UHFFFAOYSA-N 0 0 346.324 2.945 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000438948284 312626715 /nfs/dbraw/zinc/62/67/15/312626715.db2.gz BEDOBJGVCJOCCZ-NSHDSACASA-N 0 0 348.790 2.920 10 5 EFBERN Cc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)nn1-c1ccccc1 ZINC000439283462 312637503 /nfs/dbraw/zinc/63/75/03/312637503.db2.gz FSBSVYUOWIQFFE-UHFFFAOYSA-N 0 0 337.339 2.761 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(C)C)C2)c1C ZINC000447179885 312671642 /nfs/dbraw/zinc/67/16/42/312671642.db2.gz BLKPPGDAFWOFAI-CYBMUJFWSA-N 0 0 326.418 2.878 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000450571387 312710487 /nfs/dbraw/zinc/71/04/87/312710487.db2.gz ZGJVCVFYKAQZMO-GFCCVEGCSA-N 0 0 332.381 2.886 10 5 EFBERN COC(=O)c1cc(C)nc(N2C[C@@H](C3CC3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000450788197 312747281 /nfs/dbraw/zinc/74/72/81/312747281.db2.gz DRDZHRLJBIKJLT-UONOGXRCSA-N 0 0 331.372 2.710 10 5 EFBERN CCc1cc(CCCn2cc(Br)c([N+](=O)[O-])n2)on1 ZINC000450805277 312750770 /nfs/dbraw/zinc/75/07/70/312750770.db2.gz AGWMBEBZIGZMOI-UHFFFAOYSA-N 0 0 329.154 2.737 10 5 EFBERN CC1(C)COC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000450856590 312759865 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Cc1nn(CCCCCn2nnc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000450967242 312786243 /nfs/dbraw/zinc/78/62/43/312786243.db2.gz ZOJJHDWOCATZDQ-UHFFFAOYSA-N 0 0 341.375 2.624 10 5 EFBERN C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000451001471 312793767 /nfs/dbraw/zinc/79/37/67/312793767.db2.gz HYBKUBUROKOHOP-JHJVBQTASA-N 0 0 334.372 2.582 10 5 EFBERN C[C@](CO)(NCc1c(Cl)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000451035490 312803335 /nfs/dbraw/zinc/80/33/35/312803335.db2.gz CBGUQSJFWIOJJZ-MRXNPFEDSA-N 0 0 336.775 2.951 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccnc1C ZINC000451067387 312809769 /nfs/dbraw/zinc/80/97/69/312809769.db2.gz WPIPYBBMLVDKAU-UHFFFAOYSA-N 0 0 335.385 2.686 10 5 EFBERN Cc1ccc(-c2noc(-c3cn(CC4CC4)nn3)n2)cc1[N+](=O)[O-] ZINC000453097207 312860845 /nfs/dbraw/zinc/86/08/45/312860845.db2.gz OZUKGMWPLLERGF-UHFFFAOYSA-N 0 0 326.316 2.622 10 5 EFBERN CCN1C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000453375603 312894343 /nfs/dbraw/zinc/89/43/43/312894343.db2.gz XHDAVPJREZUBJO-APWZRJJASA-N 0 0 339.395 2.895 10 5 EFBERN O=C(NCC[C@H]1CCOC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454783830 312939501 /nfs/dbraw/zinc/93/95/01/312939501.db2.gz PTNWUYRZODJTQQ-HOCLYGCPSA-N 0 0 347.415 2.910 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456081543 313022913 /nfs/dbraw/zinc/02/29/13/313022913.db2.gz AMJHKFMOJUKMKG-NUEKZKHPSA-N 0 0 348.399 2.759 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000456081541 313022931 /nfs/dbraw/zinc/02/29/31/313022931.db2.gz AMJHKFMOJUKMKG-FVQBIDKESA-N 0 0 348.399 2.759 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456084668 313023543 /nfs/dbraw/zinc/02/35/43/313023543.db2.gz BYTANOVYMJXHDM-YSVLISHTSA-N 0 0 347.415 2.549 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000456091583 313025001 /nfs/dbraw/zinc/02/50/01/313025001.db2.gz FQUVVROICBGKOP-XNRPHZJLSA-N 0 0 336.363 2.890 10 5 EFBERN Cc1ncsc1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456106469 313029046 /nfs/dbraw/zinc/02/90/46/313029046.db2.gz NCKNXLHMLMGEQF-UHFFFAOYSA-N 0 0 341.339 2.539 10 5 EFBERN CCOc1ccc(C(=O)NCCc2scnc2C)cc1[N+](=O)[O-] ZINC000456111920 313030067 /nfs/dbraw/zinc/03/00/67/313030067.db2.gz TUWXDNWGFJFNEZ-UHFFFAOYSA-N 0 0 335.385 2.731 10 5 EFBERN Cc1cccnc1CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456122248 313032075 /nfs/dbraw/zinc/03/20/75/313032075.db2.gz ZJBJYFAVSKFEOG-UHFFFAOYSA-N 0 0 349.337 2.868 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(C)C)n1 ZINC000457976685 313047047 /nfs/dbraw/zinc/04/70/47/313047047.db2.gz AGKGKLXGFOTYIG-UKRRQHHQSA-N 0 0 342.399 2.981 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3cccc(Cl)c3C2)n1 ZINC000458024513 313057023 /nfs/dbraw/zinc/05/70/23/313057023.db2.gz XSGBDCXBJPBASM-UHFFFAOYSA-N 0 0 334.763 2.663 10 5 EFBERN C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000458215582 313084766 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CC[C@H]1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000479467283 313268871 /nfs/dbraw/zinc/26/88/71/313268871.db2.gz AEHFPENXUGRSGI-CTYIDZIISA-N 0 0 347.415 2.800 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC/C=C/c1ccccc1 ZINC000479924818 313277877 /nfs/dbraw/zinc/27/78/77/313277877.db2.gz NRIBCXCHZYEQBG-RMKNXTFCSA-N 0 0 332.381 2.895 10 5 EFBERN C[C@H](COc1cccc(F)c1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000485831656 313331806 /nfs/dbraw/zinc/33/18/06/313331806.db2.gz PNJIVKFWPSBOAY-SNVBAGLBSA-N 0 0 330.319 2.912 10 5 EFBERN CCOc1cc(N(C)Cc2nc([C@H](C)OC)no2)ccc1[N+](=O)[O-] ZINC000486957895 313352469 /nfs/dbraw/zinc/35/24/69/313352469.db2.gz MXWSBOCICXGYPZ-JTQLQIEISA-N 0 0 336.348 2.720 10 5 EFBERN CCc1cc(C)c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000487028206 313358672 /nfs/dbraw/zinc/35/86/72/313358672.db2.gz CKDIJPGANQRZDQ-UHFFFAOYSA-N 0 0 332.360 2.732 10 5 EFBERN CCc1cnccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487223373 313378713 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COc1ccc(Cc2nc([C@H]3CCO[C@@H](C)C3)no2)cc1[N+](=O)[O-] ZINC000547214485 317991587 /nfs/dbraw/zinc/99/15/87/317991587.db2.gz WDQIPAZBCMNIOC-JQWIXIFHSA-N 0 0 333.344 2.860 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3OCC(F)F)no2)nc1 ZINC000547256561 317992577 /nfs/dbraw/zinc/99/25/77/317992577.db2.gz RULVFYAINAOTJP-UHFFFAOYSA-N 0 0 349.253 2.746 10 5 EFBERN COc1cc(Cc2noc(Cc3cccc(O)c3)n2)ccc1[N+](=O)[O-] ZINC000547941977 318054178 /nfs/dbraw/zinc/05/41/78/318054178.db2.gz MIFGHTXQIBAXBI-UHFFFAOYSA-N 0 0 341.323 2.874 10 5 EFBERN O=C(NCc1ccncc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000548057306 318068208 /nfs/dbraw/zinc/06/82/08/318068208.db2.gz VNFMFXSNFKCYKV-UHFFFAOYSA-N 0 0 325.246 2.939 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cnn(C)c1C ZINC000548070623 318069778 /nfs/dbraw/zinc/06/97/78/318069778.db2.gz HNDRPMUSFPWKMB-OAHLLOKOSA-N 0 0 344.415 2.864 10 5 EFBERN Cc1ccc(C)c([C@H]2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000548091576 318072343 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CCC[C@H](C)[C@@H](CO)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000583758624 324867378 /nfs/dbraw/zinc/86/73/78/324867378.db2.gz QDTSXUJUUKONGZ-CMPLNLGQSA-N 0 0 326.418 2.844 10 5 EFBERN CO[C@@H](C)c1noc(CN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC000583809332 324875625 /nfs/dbraw/zinc/87/56/25/324875625.db2.gz MNCKIOCBKLPPBO-JTQLQIEISA-N 0 0 347.375 2.595 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000584000285 324911390 /nfs/dbraw/zinc/91/13/90/324911390.db2.gz XFHNPPKSULLZKB-BXUZGUMPSA-N 0 0 331.372 2.670 10 5 EFBERN Cc1cc(NC(=O)CN(C)c2c3ccccc3ncc2[N+](=O)[O-])no1 ZINC000487873702 447837285 /nfs/dbraw/zinc/83/72/85/447837285.db2.gz LCIHQHCBEGYZHQ-UHFFFAOYSA-N 0 0 341.327 2.514 10 5 EFBERN Cn1c(CNc2ncnc3ccc([N+](=O)[O-])cc32)nnc1C1CCC1 ZINC000614822143 449830424 /nfs/dbraw/zinc/83/04/24/449830424.db2.gz ZSVAIMJUQKPSFI-UHFFFAOYSA-N 0 0 339.359 2.546 10 5 EFBERN COC(=O)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)Cc1cccc(F)c1 ZINC000540032371 468370425 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COc1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000161828135 473268137 /nfs/dbraw/zinc/26/81/37/473268137.db2.gz VZJFSDYHHMMFGR-AWEZNQCLSA-N 0 0 348.380 2.879 10 5 EFBERN COc1cc(CCNC(=O)[C@H]2C[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000184905507 473268843 /nfs/dbraw/zinc/26/88/43/473268843.db2.gz UQTCWFUPUVVLRI-STQMWFEESA-N 0 0 336.388 2.563 10 5 EFBERN C[C@@H](O)CNc1nc2ccccc2n1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505564363 467939821 /nfs/dbraw/zinc/93/98/21/467939821.db2.gz NAYZOUBUWKDXOW-LLVKDONJSA-N 0 0 344.346 2.925 10 5 EFBERN Cc1cc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000515012268 467968194 /nfs/dbraw/zinc/96/81/94/467968194.db2.gz CSBVOHKKUAXMLZ-UHFFFAOYSA-N 0 0 329.316 2.737 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnccc1CO ZINC000184915123 473272681 /nfs/dbraw/zinc/27/26/81/473272681.db2.gz PMZIKQYSHOXHRJ-ZDUSSCGKSA-N 0 0 329.356 2.690 10 5 EFBERN CCOC(=O)c1cc(N2CCC[C@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000124628540 473276466 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332.381 2.966 10 5 EFBERN CS(=O)(=O)c1ccc(N[C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000067948841 472113672 /nfs/dbraw/zinc/11/36/72/472113672.db2.gz GITLTDHBYOLUGP-CQSZACIVSA-N 0 0 346.408 2.968 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@H](C)C1CC1)C1CC1 ZINC000042158998 472119155 /nfs/dbraw/zinc/11/91/55/472119155.db2.gz IUAWBJCOLVRPGS-SNVBAGLBSA-N 0 0 340.401 2.555 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000042158996 472119355 /nfs/dbraw/zinc/11/93/55/472119355.db2.gz IUAWBJCOLVRPGS-JTQLQIEISA-N 0 0 340.401 2.555 10 5 EFBERN CNC(=O)c1ccc(N(C)CCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000054980701 472128326 /nfs/dbraw/zinc/12/83/26/472128326.db2.gz SANPUGOEJQUEPO-UHFFFAOYSA-N 0 0 331.347 2.772 10 5 EFBERN Cc1noc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000042703405 472162371 /nfs/dbraw/zinc/16/23/71/472162371.db2.gz OLFWGWHUXHSFPM-SNVBAGLBSA-N 0 0 345.359 2.775 10 5 EFBERN C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000042739997 472165436 /nfs/dbraw/zinc/16/54/36/472165436.db2.gz VSGMRFYVDVGUSI-BDAKNGLRSA-N 0 0 331.294 2.704 10 5 EFBERN Cc1nn(C[C@@H](O)COc2ccccc2C(C)C)c(C)c1[N+](=O)[O-] ZINC000042755265 472167878 /nfs/dbraw/zinc/16/78/78/472167878.db2.gz LXNVTNGJROYBDV-CQSZACIVSA-N 0 0 333.388 2.971 10 5 EFBERN O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000084432107 472178620 /nfs/dbraw/zinc/17/86/20/472178620.db2.gz CQYIPQTWOBCIQD-HOTGVXAUSA-N 0 0 341.367 2.640 10 5 EFBERN COC(=O)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000055434536 472184881 /nfs/dbraw/zinc/18/48/81/472184881.db2.gz BDUHFCZAYCZYJM-UHFFFAOYSA-N 0 0 342.351 2.800 10 5 EFBERN CCn1cnnc1C1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000068488046 472199546 /nfs/dbraw/zinc/19/95/46/472199546.db2.gz GJZNJHUTFDCXMO-UHFFFAOYSA-N 0 0 343.387 2.534 10 5 EFBERN Cc1ccc(NC(=O)NC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000043147608 472205391 /nfs/dbraw/zinc/20/53/91/472205391.db2.gz ICVUCJROVKRHGO-CYBMUJFWSA-N 0 0 343.339 2.865 10 5 EFBERN CC(C)Cc1ccc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000043269097 472215679 /nfs/dbraw/zinc/21/56/79/472215679.db2.gz ROOIIYGZZIGCRK-ZDUSSCGKSA-N 0 0 330.388 2.867 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc2ccccc2n1 ZINC000075909063 472220219 /nfs/dbraw/zinc/22/02/19/472220219.db2.gz VQEWMXWOLMHQQV-UHFFFAOYSA-N 0 0 337.335 2.838 10 5 EFBERN CNC(=O)c1ccc(NC[C@@H](C)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000084927974 472227188 /nfs/dbraw/zinc/22/71/88/472227188.db2.gz QKXFDAQTPXQGRA-GFCCVEGCSA-N 0 0 328.372 2.867 10 5 EFBERN CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000055764423 472236786 /nfs/dbraw/zinc/23/67/86/472236786.db2.gz ONNFIOGUDQNTPQ-UHFFFAOYSA-N 0 0 342.355 2.609 10 5 EFBERN C[C@H](O)CNc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000028914660 472241792 /nfs/dbraw/zinc/24/17/92/472241792.db2.gz QVAFHZKYSIQOMV-LBPRGKRZSA-N 0 0 326.356 2.786 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000068806255 472246354 /nfs/dbraw/zinc/24/63/54/472246354.db2.gz ZDPVAURMZFEUDK-KRWDZBQOSA-N 0 0 325.368 2.832 10 5 EFBERN COc1cc(OCC(=O)N[C@@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000068810447 472248982 /nfs/dbraw/zinc/24/89/82/472248982.db2.gz NDIOOHDXMHABCV-HUUCEWRRSA-N 0 0 342.351 2.655 10 5 EFBERN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1OC ZINC000043747914 472259455 /nfs/dbraw/zinc/25/94/55/472259455.db2.gz PDKSHBHPNPOJBK-UHFFFAOYSA-N 0 0 336.369 2.912 10 5 EFBERN Cc1nn(CCc2nc([C@H](C)OCC(C)C)no2)c(C)c1[N+](=O)[O-] ZINC000076082998 472263409 /nfs/dbraw/zinc/26/34/09/472263409.db2.gz PQQQDOLKKFCODL-LBPRGKRZSA-N 0 0 337.380 2.767 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(COc2ccccn2)CC1 ZINC000085689574 472264305 /nfs/dbraw/zinc/26/43/05/472264305.db2.gz AXLAONDYSPEOIK-UHFFFAOYSA-N 0 0 328.372 2.989 10 5 EFBERN C[C@@H](O)CNc1nc2ccccc2n1Cc1ccccc1[N+](=O)[O-] ZINC000068938848 472268257 /nfs/dbraw/zinc/26/82/57/472268257.db2.gz DXNXRTIBMMEYPX-GFCCVEGCSA-N 0 0 326.356 2.786 10 5 EFBERN CC[C@H](C)NC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(C)c2)n(C)n1 ZINC000086012834 472271919 /nfs/dbraw/zinc/27/19/19/472271919.db2.gz BCDNZHIOGNWYJO-NSHDSACASA-N 0 0 332.360 2.957 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(C)C)C(C)C ZINC000056056216 472276186 /nfs/dbraw/zinc/27/61/86/472276186.db2.gz JHYLILWUQADOCH-UHFFFAOYSA-N 0 0 330.406 2.659 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]1c1ccccc1 ZINC000056058007 472276278 /nfs/dbraw/zinc/27/62/78/472276278.db2.gz YIWOKKQCHFHENX-CQSZACIVSA-N 0 0 348.380 2.739 10 5 EFBERN CN1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000056045822 472276387 /nfs/dbraw/zinc/27/63/87/472276387.db2.gz PUBBPXYSICIERR-OAHLLOKOSA-N 0 0 339.395 2.877 10 5 EFBERN C[C@H](c1ccccc1Cl)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029530209 472280721 /nfs/dbraw/zinc/28/07/21/472280721.db2.gz QNPCLAJXWSEAHW-GFCCVEGCSA-N 0 0 349.822 2.865 10 5 EFBERN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@@H]1CC1[N+](=O)[O-] ZINC000044280204 472294287 /nfs/dbraw/zinc/29/42/87/472294287.db2.gz XCIUQRLURVOIAU-OLJWJDKZSA-N 0 0 348.428 2.610 10 5 EFBERN CN(Cc1ccc(F)cc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069149637 472298737 /nfs/dbraw/zinc/29/87/37/472298737.db2.gz XBIMFDIQHQKXDH-UHFFFAOYSA-N 0 0 347.346 2.954 10 5 EFBERN Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000029900323 472303071 /nfs/dbraw/zinc/30/30/71/472303071.db2.gz SRCNBRYEEBVLDH-GFCCVEGCSA-N 0 0 343.387 2.712 10 5 EFBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000030146210 472314936 /nfs/dbraw/zinc/31/49/36/472314936.db2.gz ZUTVXZNNLPYTQY-ZDUSSCGKSA-N 0 0 329.356 2.707 10 5 EFBERN C[C@H](NC(=O)NCc1cccnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000056399558 472317085 /nfs/dbraw/zinc/31/70/85/472317085.db2.gz CCDQNBLKLXKWAC-LBPRGKRZSA-N 0 0 343.387 2.616 10 5 EFBERN O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000030221208 472320025 /nfs/dbraw/zinc/32/00/25/472320025.db2.gz DGJSWIFRUGQLLO-UHFFFAOYSA-N 0 0 336.351 2.770 10 5 EFBERN Cc1sc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000030295894 472324617 /nfs/dbraw/zinc/32/46/17/472324617.db2.gz MKQXLRGTTNKLOA-UHFFFAOYSA-N 0 0 346.412 2.890 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000044630859 472324951 /nfs/dbraw/zinc/32/49/51/472324951.db2.gz CGCQPSKVZWALLS-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN COC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000069349591 472325552 /nfs/dbraw/zinc/32/55/52/472325552.db2.gz DZKBESANPWOYCW-UHFFFAOYSA-N 0 0 340.335 2.974 10 5 EFBERN COc1cc(C)c(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1OC ZINC000087335250 472326123 /nfs/dbraw/zinc/32/61/23/472326123.db2.gz YGDKWHSOEYLWAD-UHFFFAOYSA-N 0 0 344.367 2.893 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000076372370 472332609 /nfs/dbraw/zinc/33/26/09/472332609.db2.gz CLXAIJDHKHJBGX-UHFFFAOYSA-N 0 0 349.387 2.627 10 5 EFBERN CC(=O)N(C)c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000044821834 472341472 /nfs/dbraw/zinc/34/14/72/472341472.db2.gz RVNWULRXWYLOIT-UHFFFAOYSA-N 0 0 343.339 2.595 10 5 EFBERN O=[N+]([O-])c1c(F)cccc1NCc1cccc(Cn2cncn2)c1 ZINC000069437417 472343139 /nfs/dbraw/zinc/34/31/39/472343139.db2.gz SVOZHNUUTSTOOW-UHFFFAOYSA-N 0 0 327.319 2.986 10 5 EFBERN C[C@H]1CCCN(c2ccc(C(=O)Nc3cn[nH]c3)cc2[N+](=O)[O-])C1 ZINC000030663944 472345323 /nfs/dbraw/zinc/34/53/23/472345323.db2.gz OUQYBVYVZIFIKT-NSHDSACASA-N 0 0 329.360 2.807 10 5 EFBERN COC(=O)c1c(C)nc(=O)[nH]c1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069450658 472345813 /nfs/dbraw/zinc/34/58/13/472345813.db2.gz CBKCTQINEFQLFK-VIFPVBQESA-N 0 0 349.368 2.626 10 5 EFBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1-n1ccnc1 ZINC000044895330 472349145 /nfs/dbraw/zinc/34/91/45/472349145.db2.gz SKMPXYFEEAALNV-BQYQJAHWSA-N 0 0 349.350 2.505 10 5 EFBERN O=C(CN(Cc1cccc(O)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069594024 472376514 /nfs/dbraw/zinc/37/65/14/472376514.db2.gz SWXYQMBANBAZPV-UHFFFAOYSA-N 0 0 341.367 2.904 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000045158902 472378567 /nfs/dbraw/zinc/37/85/67/472378567.db2.gz OKYMPKBIRXLDCT-ZDUSSCGKSA-N 0 0 341.371 2.548 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 ZINC000088719934 472381628 /nfs/dbraw/zinc/38/16/28/472381628.db2.gz VHTWABVGAVOIMH-CYBMUJFWSA-N 0 0 331.347 2.798 10 5 EFBERN Cc1nc(C2(NC(=O)c3cc([N+](=O)[O-])c(C)s3)CCCC2)no1 ZINC000045236726 472384690 /nfs/dbraw/zinc/38/46/90/472384690.db2.gz FSXXWJIHTSRMQE-UHFFFAOYSA-N 0 0 336.373 2.855 10 5 EFBERN CCc1sc(-c2nnc(Cn3cc([N+](=O)[O-])ccc3=O)o2)cc1C ZINC000031672123 472388226 /nfs/dbraw/zinc/38/82/26/472388226.db2.gz MEWCEQKNZSJUON-UHFFFAOYSA-N 0 0 346.368 2.787 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000089225289 472393545 /nfs/dbraw/zinc/39/35/45/472393545.db2.gz BYAJHTVAXUGUNQ-CYBMUJFWSA-N 0 0 340.335 2.902 10 5 EFBERN COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000089226984 472394806 /nfs/dbraw/zinc/39/48/06/472394806.db2.gz PLXKNYXSNODJEJ-OAHLLOKOSA-N 0 0 340.335 2.902 10 5 EFBERN CCNC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000154208716 472402401 /nfs/dbraw/zinc/40/24/01/472402401.db2.gz DYZRWUVQSJLXRC-UHFFFAOYSA-N 0 0 341.367 2.583 10 5 EFBERN CCc1ccc(NC(=O)N2CCC(n3cncn3)CC2)cc1[N+](=O)[O-] ZINC000089286503 472405849 /nfs/dbraw/zinc/40/58/49/472405849.db2.gz PUSSCQDMYXQJCK-UHFFFAOYSA-N 0 0 344.375 2.618 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116474235 472411735 /nfs/dbraw/zinc/41/17/35/472411735.db2.gz PIQMXRCSUNGWFH-LBPRGKRZSA-N 0 0 329.360 2.658 10 5 EFBERN CCc1ccc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)s1 ZINC000154328769 472417294 /nfs/dbraw/zinc/41/72/94/472417294.db2.gz LQXNFHGFSHXFMM-UHFFFAOYSA-N 0 0 340.426 2.740 10 5 EFBERN O=C(NCCc1ccc[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000089352221 472418928 /nfs/dbraw/zinc/41/89/28/472418928.db2.gz BLVIERYHSOBYIZ-UHFFFAOYSA-N 0 0 338.161 2.658 10 5 EFBERN COCCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000057376835 472423738 /nfs/dbraw/zinc/42/37/38/472423738.db2.gz FQFYJJBZTIJQPP-UHFFFAOYSA-N 0 0 331.328 2.576 10 5 EFBERN O=[N+]([O-])c1cnccc1N1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069775158 472427228 /nfs/dbraw/zinc/42/72/28/472427228.db2.gz DKCBLIADUVYALC-UHFFFAOYSA-N 0 0 338.371 2.583 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](c1cccs1)C1CCCC1 ZINC000032397764 472428447 /nfs/dbraw/zinc/42/84/47/472428447.db2.gz YQRPGBYYNXGDGA-OAHLLOKOSA-N 0 0 334.401 2.901 10 5 EFBERN Cc1sc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000032410577 472429461 /nfs/dbraw/zinc/42/94/61/472429461.db2.gz PJQMFVQJPMLLAJ-UHFFFAOYSA-N 0 0 334.353 2.966 10 5 EFBERN Cc1sc(C(=O)NCCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000032417550 472431147 /nfs/dbraw/zinc/43/11/47/472431147.db2.gz ZQXPFJJZYQIZNU-UHFFFAOYSA-N 0 0 334.353 2.666 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)CC(C)C ZINC000032417771 472431377 /nfs/dbraw/zinc/43/13/77/472431377.db2.gz ZIGBRAGOABPABU-LLVKDONJSA-N 0 0 330.406 2.659 10 5 EFBERN C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000089427702 472436137 /nfs/dbraw/zinc/43/61/37/472436137.db2.gz DIOOHYBTRDCRJI-QMTHXVAHSA-N 0 0 347.396 2.561 10 5 EFBERN C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000089427695 472436868 /nfs/dbraw/zinc/43/68/68/472436868.db2.gz DIOOHYBTRDCRJI-YGRLFVJLSA-N 0 0 347.396 2.561 10 5 EFBERN Cc1nn(CC(=O)N[C@@H](c2ccc(F)cc2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000069817853 472442671 /nfs/dbraw/zinc/44/26/71/472442671.db2.gz ABJBZTAGFHEDGS-MRXNPFEDSA-N 0 0 346.362 2.815 10 5 EFBERN Cc1csc([C@H]2COCCN2c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000097102775 472446803 /nfs/dbraw/zinc/44/68/03/472446803.db2.gz FZPJCSBORPUYHT-LLVKDONJSA-N 0 0 340.792 2.986 10 5 EFBERN Cc1ccccc1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032675375 472452038 /nfs/dbraw/zinc/45/20/38/472452038.db2.gz BZRSCSSURZNQDB-UHFFFAOYSA-N 0 0 328.324 2.856 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1OCc1csc(CC(=O)N(C)C)n1 ZINC000069875809 472457015 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CCOC(=O)CC[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000089656992 472480645 /nfs/dbraw/zinc/48/06/45/472480645.db2.gz ZTVMXWBJLKMJGI-QMMMGPOBSA-N 0 0 346.181 2.896 10 5 EFBERN C[C@H](CO)[C@H](C)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000077228026 472481057 /nfs/dbraw/zinc/48/10/57/472481057.db2.gz OXMQAOSMMUFJHD-RQJHMYQMSA-N 0 0 337.254 2.951 10 5 EFBERN CCc1cccc(CC)c1NC(=O)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128707009 472486564 /nfs/dbraw/zinc/48/65/64/472486564.db2.gz FCWCPORKASSCHZ-UHFFFAOYSA-N 0 0 343.383 2.828 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000154922141 472486888 /nfs/dbraw/zinc/48/68/88/472486888.db2.gz USUTVQVTQQZUQL-UHFFFAOYSA-N 0 0 340.339 2.718 10 5 EFBERN CCSCCC(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070038471 472490328 /nfs/dbraw/zinc/49/03/28/472490328.db2.gz YEJGAXSXWLLLLG-JTQLQIEISA-N 0 0 326.374 2.608 10 5 EFBERN Cc1nc(C[C@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)no1 ZINC000089718274 472492556 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CC[C@H](NC(=O)[C@@H]1CCn2cncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000133165665 472778682 /nfs/dbraw/zinc/77/86/82/472778682.db2.gz UDDRMSICQOEGGV-CJNGLKHVSA-N 0 0 328.372 2.621 10 5 EFBERN Cc1nn(C)c(C)c1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000091630612 472787810 /nfs/dbraw/zinc/78/78/10/472787810.db2.gz LINGWPFYBALIBV-UHFFFAOYSA-N 0 0 331.376 2.699 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000105846986 472787998 /nfs/dbraw/zinc/78/79/98/472787998.db2.gz WCBPQNCGYPAMEB-MRXNPFEDSA-N 0 0 342.399 2.851 10 5 EFBERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000105851494 472789686 /nfs/dbraw/zinc/78/96/86/472789686.db2.gz NWZQGMMVXQKFDF-LLVKDONJSA-N 0 0 334.401 2.893 10 5 EFBERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)c1 ZINC000105858742 472791023 /nfs/dbraw/zinc/79/10/23/472791023.db2.gz OYJYMNCITFQRIP-CQSZACIVSA-N 0 0 328.372 2.885 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000121213863 472816828 /nfs/dbraw/zinc/81/68/28/472816828.db2.gz HZFJUQMPPOPGGW-DGCLKSJQSA-N 0 0 345.403 2.926 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000121213635 472816843 /nfs/dbraw/zinc/81/68/43/472816843.db2.gz HZFJUQMPPOPGGW-WCQYABFASA-N 0 0 345.403 2.926 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000121213763 472817475 /nfs/dbraw/zinc/81/74/75/472817475.db2.gz HZFJUQMPPOPGGW-AAEUAGOBSA-N 0 0 345.403 2.926 10 5 EFBERN O=C(N[C@@H]1CCc2ccccc2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000073521192 472823683 /nfs/dbraw/zinc/82/36/83/472823683.db2.gz JZCJWGUWWAMKKJ-CYBMUJFWSA-N 0 0 336.351 2.758 10 5 EFBERN CCOCC[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CC ZINC000106116669 472828926 /nfs/dbraw/zinc/82/89/26/472828926.db2.gz AQLWFAJMWYCPSG-CQSZACIVSA-N 0 0 339.411 2.667 10 5 EFBERN NS(=O)(=O)c1ccc(N[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000048234998 472838124 /nfs/dbraw/zinc/83/81/24/472838124.db2.gz QWEZRWCKYWSXQP-MRXNPFEDSA-N 0 0 347.396 2.805 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1(c2ccccc2)CCC1 ZINC000048254127 472842342 /nfs/dbraw/zinc/84/23/42/472842342.db2.gz TYYJLGLULVYXOU-UHFFFAOYSA-N 0 0 326.356 2.623 10 5 EFBERN CC(=O)N[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000079298477 472845487 /nfs/dbraw/zinc/84/54/87/472845487.db2.gz CIXHEVQDZIJABU-LBPRGKRZSA-N 0 0 347.396 2.550 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2C(=O)N1 ZINC000092036463 472846099 /nfs/dbraw/zinc/84/60/99/472846099.db2.gz MHOOWJQXPHQEID-JTQLQIEISA-N 0 0 343.314 2.513 10 5 EFBERN CCc1ccc([C@@H]2COCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)o1 ZINC000134005544 472863929 /nfs/dbraw/zinc/86/39/29/472863929.db2.gz OJCJYYRNXSHGQP-HNNXBMFYSA-N 0 0 345.355 2.667 10 5 EFBERN CCOc1ccccc1CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000064834657 472880477 /nfs/dbraw/zinc/88/04/77/472880477.db2.gz PPMGCHKVXUSQNK-UHFFFAOYSA-N 0 0 347.346 2.987 10 5 EFBERN COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000064844445 472881780 /nfs/dbraw/zinc/88/17/80/472881780.db2.gz ADOGQWWBQLGCOI-CQSZACIVSA-N 0 0 348.742 2.892 10 5 EFBERN COc1ncccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000048552597 472887455 /nfs/dbraw/zinc/88/74/55/472887455.db2.gz APFIYESIPMKDGD-UHFFFAOYSA-N 0 0 339.149 2.768 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000079617792 472897501 /nfs/dbraw/zinc/89/75/01/472897501.db2.gz VGUNQQLSYOOLBD-QHCPKHFHSA-N 0 0 332.381 2.571 10 5 EFBERN CN1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)c2ccccc21 ZINC000158148639 472898311 /nfs/dbraw/zinc/89/83/11/472898311.db2.gz LYMIXECDGHYJHQ-LBPRGKRZSA-N 0 0 338.371 2.673 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2ccsc2C1 ZINC000121736973 472902880 /nfs/dbraw/zinc/90/28/80/472902880.db2.gz HASWPQFEXKAZLN-UHFFFAOYSA-N 0 0 338.410 2.712 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134462704 472911475 /nfs/dbraw/zinc/91/14/75/472911475.db2.gz WYYFLWHTNBCDLG-SECBINFHSA-N 0 0 326.324 2.536 10 5 EFBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)n1 ZINC000079858750 472932163 /nfs/dbraw/zinc/93/21/63/472932163.db2.gz QTMLUSMGPOWLLV-ZDUSSCGKSA-N 0 0 341.371 2.548 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000092621050 472947552 /nfs/dbraw/zinc/94/75/52/472947552.db2.gz LUWBCUKYTHPZLS-JTQLQIEISA-N 0 0 336.323 2.818 10 5 EFBERN COc1cc(C(=O)N2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000079989965 472954495 /nfs/dbraw/zinc/95/44/95/472954495.db2.gz AXEQZDNCAPBYBS-KRWDZBQOSA-N 0 0 334.372 2.636 10 5 EFBERN Cc1ccc([C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000158636651 472955069 /nfs/dbraw/zinc/95/50/69/472955069.db2.gz GIWIFVYEPIEXGI-MRXNPFEDSA-N 0 0 345.355 2.508 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CCCOC3)C2)c1 ZINC000079995486 472955626 /nfs/dbraw/zinc/95/56/26/472955626.db2.gz CXLPYOAOYQJYGY-KRWDZBQOSA-N 0 0 334.372 2.636 10 5 EFBERN CSCCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134717937 472956511 /nfs/dbraw/zinc/95/65/11/472956511.db2.gz QKEDLEKDPQEDJJ-UHFFFAOYSA-N 0 0 334.401 2.654 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2(O)CCc3ccccc32)c1 ZINC000092688018 472965548 /nfs/dbraw/zinc/96/55/48/472965548.db2.gz OHHZQUSLEKFUHQ-KRWDZBQOSA-N 0 0 332.331 2.988 10 5 EFBERN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccncc1[N+](=O)[O-] ZINC000065543121 472972566 /nfs/dbraw/zinc/97/25/66/472972566.db2.gz RXAFRZHJPCQXQI-UHFFFAOYSA-N 0 0 345.340 2.673 10 5 EFBERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000134844152 472974866 /nfs/dbraw/zinc/97/48/66/472974866.db2.gz ANYZPHZFQHTHDX-GFCCVEGCSA-N 0 0 346.774 2.652 10 5 EFBERN COc1ncccc1CNC(=O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000065562540 472976876 /nfs/dbraw/zinc/97/68/76/472976876.db2.gz IFKJZKDZZVYSAE-UHFFFAOYSA-N 0 0 344.371 2.505 10 5 EFBERN COc1cc(NCCc2cn3c(n2)CCCC3)c([N+](=O)[O-])cc1F ZINC000134888592 472983225 /nfs/dbraw/zinc/98/32/25/472983225.db2.gz TVTXTRVFGGCJKP-UHFFFAOYSA-N 0 0 334.351 2.930 10 5 EFBERN CCc1nn(C)c(NCc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000092827763 472994516 /nfs/dbraw/zinc/99/45/16/472994516.db2.gz ZUXXOBQYVSDJAF-UHFFFAOYSA-N 0 0 326.360 2.689 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cscn1 ZINC000050402992 472994618 /nfs/dbraw/zinc/99/46/18/472994618.db2.gz ZAVFFHJKASTVMR-MRVPVSSYSA-N 0 0 341.776 2.788 10 5 EFBERN CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000065693533 473000470 /nfs/dbraw/zinc/00/04/70/473000470.db2.gz KWUYPKUFPHEFKA-NSHDSACASA-N 0 0 334.351 2.849 10 5 EFBERN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 ZINC000074453161 473010951 /nfs/dbraw/zinc/01/09/51/473010951.db2.gz DDTXPSJDKLLLCS-UHFFFAOYSA-N 0 0 347.396 2.969 10 5 EFBERN COc1cc(NCC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000122430675 473014414 /nfs/dbraw/zinc/01/44/14/473014414.db2.gz CUSKLAVVGAQJCR-UHFFFAOYSA-N 0 0 347.346 2.813 10 5 EFBERN CCCCNC(=O)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000051058326 473021215 /nfs/dbraw/zinc/02/12/15/473021215.db2.gz BLFPQRJZAGNKQK-ZDUSSCGKSA-N 0 0 325.434 2.785 10 5 EFBERN CNC(=O)c1ccc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)c([N+](=O)[O-])c1 ZINC000065946776 473031613 /nfs/dbraw/zinc/03/16/13/473031613.db2.gz CWNZINRTDCQRJO-DOOHLRMFSA-N 0 0 329.400 2.969 10 5 EFBERN CC(C)N(Cc1ccccn1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001200 473035957 /nfs/dbraw/zinc/03/59/57/473035957.db2.gz SNIZCYHUHURVLI-UHFFFAOYSA-N 0 0 341.414 2.651 10 5 EFBERN COC(=O)[C@H](C)CN(Cc1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000159574581 473040422 /nfs/dbraw/zinc/04/04/22/473040422.db2.gz MGTDMMVJVVLVJX-CYBMUJFWSA-N 0 0 329.356 2.806 10 5 EFBERN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000159588439 473041940 /nfs/dbraw/zinc/04/19/40/473041940.db2.gz SZUMGPORBXPOFH-STQMWFEESA-N 0 0 343.383 2.941 10 5 EFBERN COc1cc(OC)c(CNc2cc(C)c([N+](=O)[O-])cn2)c(OC)c1 ZINC000074741671 473054660 /nfs/dbraw/zinc/05/46/60/473054660.db2.gz ITTYRIIIPQVVMY-UHFFFAOYSA-N 0 0 333.344 2.936 10 5 EFBERN CCc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000135333194 473059099 /nfs/dbraw/zinc/05/90/99/473059099.db2.gz SNQFAOUYXNXGJP-NSHDSACASA-N 0 0 343.387 2.576 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135343098 473060439 /nfs/dbraw/zinc/06/04/39/473060439.db2.gz IINDJVAWMKMPIH-INIZCTEOSA-N 0 0 328.324 2.514 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(NCCNC(=O)c2ccc(C)cc2)c1 ZINC000080637299 473061843 /nfs/dbraw/zinc/06/18/43/473061843.db2.gz QGXNRONSCSUILD-UHFFFAOYSA-N 0 0 347.346 2.893 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000080652346 473063998 /nfs/dbraw/zinc/06/39/98/473063998.db2.gz MIIQEFUOFIBYCV-NSHDSACASA-N 0 0 345.321 2.798 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135390376 473066243 /nfs/dbraw/zinc/06/62/43/473066243.db2.gz GCMVLLKFPFDRLB-LBPRGKRZSA-N 0 0 334.353 2.576 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000159841746 473066529 /nfs/dbraw/zinc/06/65/29/473066529.db2.gz KLLVACJMBMCFHD-DOMZBBRYSA-N 0 0 343.383 2.583 10 5 EFBERN Cc1cnn(C[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCO2)c1 ZINC000108950330 473069314 /nfs/dbraw/zinc/06/93/14/473069314.db2.gz QNTUFAKJGJOEIH-ZDUSSCGKSA-N 0 0 336.779 2.659 10 5 EFBERN CCc1nc2n(n1)C[C@@H](Nc1ccc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000108948509 473069695 /nfs/dbraw/zinc/06/96/95/473069695.db2.gz NZWXAXCCNVIXRI-LBPRGKRZSA-N 0 0 338.371 2.724 10 5 EFBERN Cc1cc(N(C)[C@@H]2CCCN(c3cccnn3)C2)ccc1[N+](=O)[O-] ZINC000108946489 473069960 /nfs/dbraw/zinc/06/99/60/473069960.db2.gz QCWOROCHWDHYGL-OAHLLOKOSA-N 0 0 327.388 2.798 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](Cc4ccc(F)cc4)C3)nn21 ZINC000159893357 473070572 /nfs/dbraw/zinc/07/05/72/473070572.db2.gz WDLQXSMBEZBJJB-ZDUSSCGKSA-N 0 0 341.346 2.846 10 5 EFBERN Cc1c(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cccc1[N+](=O)[O-] ZINC000135440001 473072785 /nfs/dbraw/zinc/07/27/85/473072785.db2.gz CWHYHWFWEHZCCI-QGZVFWFLSA-N 0 0 342.351 2.823 10 5 EFBERN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066327391 473075158 /nfs/dbraw/zinc/07/51/58/473075158.db2.gz MCTYCSUJIKLKIR-SNVBAGLBSA-N 0 0 326.399 2.738 10 5 EFBERN Cc1sc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000135453097 473075779 /nfs/dbraw/zinc/07/57/79/473075779.db2.gz XSIYLHDRGYUKOW-AWEZNQCLSA-N 0 0 348.380 2.884 10 5 EFBERN COc1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1OC(F)F ZINC000051991766 473076536 /nfs/dbraw/zinc/07/65/36/473076536.db2.gz VXMNXRHARUGFBS-UHFFFAOYSA-N 0 0 342.302 2.859 10 5 EFBERN CCC1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000109085143 473078236 /nfs/dbraw/zinc/07/82/36/473078236.db2.gz JEFRKQKEAKEYOI-UHFFFAOYSA-N 0 0 343.387 2.874 10 5 EFBERN CCC(CC)N1C[C@H](C(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000109203613 473087493 /nfs/dbraw/zinc/08/74/93/473087493.db2.gz DFFSDUWJIQPZLK-GFCCVEGCSA-N 0 0 333.388 2.595 10 5 EFBERN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)cn2)C[C@@H](C)O1 ZINC000052218888 473094576 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C[C@@H](O)CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000136064108 473131889 /nfs/dbraw/zinc/13/18/89/473131889.db2.gz DDQFZOJTWFJHCJ-MELADBBJSA-N 0 0 349.431 2.578 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000109864426 473132539 /nfs/dbraw/zinc/13/25/39/473132539.db2.gz HKSUXSZETKXWPJ-SNVBAGLBSA-N 0 0 347.400 2.603 10 5 EFBERN C[C@@H](O)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000136112722 473135592 /nfs/dbraw/zinc/13/55/92/473135592.db2.gz OOJMOWRINDXFOJ-CYBMUJFWSA-N 0 0 343.383 2.708 10 5 EFBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000075137160 473137019 /nfs/dbraw/zinc/13/70/19/473137019.db2.gz FYSFFLIZGNWVKU-GUYCJALGSA-N 0 0 349.346 2.722 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000109983031 473137388 /nfs/dbraw/zinc/13/73/88/473137388.db2.gz GJJWVHCIZLYSKS-CYBMUJFWSA-N 0 0 343.339 2.740 10 5 EFBERN Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000109982866 473137511 /nfs/dbraw/zinc/13/75/11/473137511.db2.gz LTSFZHPQJQCFHA-CYBMUJFWSA-N 0 0 343.339 2.740 10 5 EFBERN O=C(NC1CCCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000109982557 473137563 /nfs/dbraw/zinc/13/75/63/473137563.db2.gz CEVYITWDARZXBI-ZDUSSCGKSA-N 0 0 349.387 2.631 10 5 EFBERN CCCc1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n[nH]1 ZINC000110015160 473138765 /nfs/dbraw/zinc/13/87/65/473138765.db2.gz RSVBMJUJQNZTTR-UHFFFAOYSA-N 0 0 334.332 2.540 10 5 EFBERN COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000052712155 473141026 /nfs/dbraw/zinc/14/10/26/473141026.db2.gz VCGMWMDYMQTEAA-LBPRGKRZSA-N 0 0 347.371 2.964 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000136185286 473142368 /nfs/dbraw/zinc/14/23/68/473142368.db2.gz DECSSOXDUHUXSL-QWHCGFSZSA-N 0 0 348.403 2.767 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160594984 473148362 /nfs/dbraw/zinc/14/83/62/473148362.db2.gz CTHOVCKYBLQCIK-ZDUSSCGKSA-N 0 0 333.388 2.910 10 5 EFBERN COC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000052798466 473148849 /nfs/dbraw/zinc/14/88/49/473148849.db2.gz GABUBTKRQHRAJC-UHFFFAOYSA-N 0 0 344.323 2.707 10 5 EFBERN O=[N+]([O-])c1cnccc1NCc1ccnc(OCC(F)(F)F)c1 ZINC000066808844 473156334 /nfs/dbraw/zinc/15/63/34/473156334.db2.gz QHNYCWPYNKYORT-UHFFFAOYSA-N 0 0 328.250 2.938 10 5 EFBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)n1 ZINC000066809736 473156752 /nfs/dbraw/zinc/15/67/52/473156752.db2.gz PGLUMGACJWAONY-ZDUSSCGKSA-N 0 0 341.371 2.548 10 5 EFBERN O=C(NC[C@H](O)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000075267696 473157291 /nfs/dbraw/zinc/15/72/91/473157291.db2.gz RHJZEUPNESMKKX-JTQLQIEISA-N 0 0 326.761 2.773 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@H]1c1ccccc1 ZINC000110454712 473159036 /nfs/dbraw/zinc/15/90/36/473159036.db2.gz LGMMBWFSAOSJQJ-PBHICJAKSA-N 0 0 326.352 2.894 10 5 EFBERN C[C@H]1CC[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000075278822 473159427 /nfs/dbraw/zinc/15/94/27/473159427.db2.gz DJYYYXNSBCEECJ-QWRGUYRKSA-N 0 0 329.356 2.697 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000160705968 473164901 /nfs/dbraw/zinc/16/49/01/473164901.db2.gz LJKSAARTDCHYHQ-GFCCVEGCSA-N 0 0 330.340 2.802 10 5 EFBERN CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000081260949 473169608 /nfs/dbraw/zinc/16/96/08/473169608.db2.gz KLWXTQCQOYLGOT-CYBMUJFWSA-N 0 0 345.403 2.625 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1c(C)nn(C)c1C ZINC000081260343 473170251 /nfs/dbraw/zinc/17/02/51/473170251.db2.gz URXFRBGWXAOZFL-CYBMUJFWSA-N 0 0 346.387 2.835 10 5 EFBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000081261242 473171008 /nfs/dbraw/zinc/17/10/08/473171008.db2.gz MIQKICZSNZETNV-AWEZNQCLSA-N 0 0 334.351 2.965 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(-c2ccccc2)no1 ZINC000052990248 473171792 /nfs/dbraw/zinc/17/17/92/473171792.db2.gz ZFWXISSYPTURHO-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN COc1cccc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 ZINC000094072251 473173570 /nfs/dbraw/zinc/17/35/70/473173570.db2.gz LLDSEBBQVUSKSQ-UHFFFAOYSA-N 0 0 329.356 2.854 10 5 EFBERN COC[C@@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000075366793 473176647 /nfs/dbraw/zinc/17/66/47/473176647.db2.gz ZYLOWAIQDTZOSM-CQSZACIVSA-N 0 0 348.330 2.860 10 5 EFBERN COC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000075367259 473176768 /nfs/dbraw/zinc/17/67/68/473176768.db2.gz PZGHYWHLYZCMGA-HNNXBMFYSA-N 0 0 347.346 2.650 10 5 EFBERN CNc1ccc(C(=O)N[C@H](COC)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000075367062 473176878 /nfs/dbraw/zinc/17/68/78/473176878.db2.gz IYZVJVJWRZOLNO-OAHLLOKOSA-N 0 0 347.346 2.893 10 5 EFBERN COC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000075368113 473178312 /nfs/dbraw/zinc/17/83/12/473178312.db2.gz STTSRDWXEOMWAX-CQSZACIVSA-N 0 0 348.330 2.617 10 5 EFBERN Cn1ccnc1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000081317727 473182786 /nfs/dbraw/zinc/18/27/86/473182786.db2.gz VPIWVNWOVWLQPT-CYBMUJFWSA-N 0 0 340.339 2.635 10 5 EFBERN O=C(Cc1ccon1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000081366681 473191984 /nfs/dbraw/zinc/19/19/84/473191984.db2.gz WUFQXNMGKBREMZ-UHFFFAOYSA-N 0 0 330.325 2.888 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2ccccc2)n1C ZINC000160941279 473193657 /nfs/dbraw/zinc/19/36/57/473193657.db2.gz QFBORWVYFUNFFU-UHFFFAOYSA-N 0 0 340.339 2.978 10 5 EFBERN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251460 473199765 /nfs/dbraw/zinc/19/97/65/473199765.db2.gz IQWWAYDGAMBFFR-QGZVFWFLSA-N 0 0 343.358 2.971 10 5 EFBERN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000137339759 473203605 /nfs/dbraw/zinc/20/36/05/473203605.db2.gz YKKAPTVCPKUYDX-PWSUYJOCSA-N 0 0 331.376 2.618 10 5 EFBERN CCOc1ccc(OC)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171532031 473405052 /nfs/dbraw/zinc/40/50/52/473405052.db2.gz LAEKGHNFMKGCBP-UHFFFAOYSA-N 0 0 331.328 2.958 10 5 EFBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc([N+](=O)[O-])cc1F ZINC000185376045 473409986 /nfs/dbraw/zinc/40/99/86/473409986.db2.gz XQOXGXYGFPMXMI-AWEZNQCLSA-N 0 0 332.287 2.802 10 5 EFBERN Cc1cc(=O)[nH]cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000177663770 473413280 /nfs/dbraw/zinc/41/32/80/473413280.db2.gz PIAGTBSBVXLNAE-UHFFFAOYSA-N 0 0 329.356 2.642 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000177677699 473415414 /nfs/dbraw/zinc/41/54/14/473415414.db2.gz GZJKYOLDFHBEKY-DEOSSOPVSA-N 0 0 346.408 2.913 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151166535 473418925 /nfs/dbraw/zinc/41/89/25/473418925.db2.gz LQSDQDPCKPOHEP-KDOFPFPSSA-N 0 0 348.399 2.517 10 5 EFBERN CC[C@H](NC(=O)N1CCC[C@@]1(CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000190885695 473419220 /nfs/dbraw/zinc/41/92/20/473419220.db2.gz XWHMYMFGMBBRND-RDJZCZTQSA-N 0 0 335.404 2.992 10 5 EFBERN COc1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000113894181 473421072 /nfs/dbraw/zinc/42/10/72/473421072.db2.gz IICUUTNHXZWOSK-ZDUSSCGKSA-N 0 0 330.344 2.694 10 5 EFBERN COc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000113894179 473421799 /nfs/dbraw/zinc/42/17/99/473421799.db2.gz IICUUTNHXZWOSK-CYBMUJFWSA-N 0 0 330.344 2.694 10 5 EFBERN CC[C@@H](NC(=O)CCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000177790625 473435677 /nfs/dbraw/zinc/43/56/77/473435677.db2.gz VNAPVXLADVGENP-CQSZACIVSA-N 0 0 345.355 2.575 10 5 EFBERN O=C(N[C@@H]1CCCOC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171677974 473436703 /nfs/dbraw/zinc/43/67/03/473436703.db2.gz MCRJMOWSXWFIDB-LLVKDONJSA-N 0 0 333.369 2.627 10 5 EFBERN CC[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000177794491 473436774 /nfs/dbraw/zinc/43/67/74/473436774.db2.gz QLCPPVJUTWXHMY-CYBMUJFWSA-N 0 0 325.328 2.747 10 5 EFBERN CC[C@H](NC(=O)CCSc1n[nH]c(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000177801536 473437978 /nfs/dbraw/zinc/43/79/78/473437978.db2.gz QYULALALESXOPG-ZDUSSCGKSA-N 0 0 349.416 2.771 10 5 EFBERN Cc1cnc(CCN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2N)s1 ZINC000125646868 473439552 /nfs/dbraw/zinc/43/95/52/473439552.db2.gz BUBQLDPGPDOFGI-UHFFFAOYSA-N 0 0 334.401 2.565 10 5 EFBERN CCCNC(=O)CCCC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177805003 473439662 /nfs/dbraw/zinc/43/96/62/473439662.db2.gz BYMKKXTXNNMRBB-HNNXBMFYSA-N 0 0 335.404 2.859 10 5 EFBERN CCc1oc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000125647586 473440560 /nfs/dbraw/zinc/44/05/60/473440560.db2.gz BAOXQRXOUQZVML-LBPRGKRZSA-N 0 0 344.371 2.780 10 5 EFBERN O=C(c1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)c1ccncc1 ZINC000114134473 473442970 /nfs/dbraw/zinc/44/29/70/473442970.db2.gz XGPKCFQBDMUPJA-AWEZNQCLSA-N 0 0 327.340 2.816 10 5 EFBERN Cc1ccc2c(n1)OCCN2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185521269 473447240 /nfs/dbraw/zinc/44/72/40/473447240.db2.gz WWHUJTVAWRRKLC-NSHDSACASA-N 0 0 345.330 2.966 10 5 EFBERN CCOc1ccccc1CN(C)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000171804031 473462197 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Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000126058683 473482702 /nfs/dbraw/zinc/48/27/02/473482702.db2.gz BVHRCMIBPLKOSS-CZUORRHYSA-N 0 0 328.372 2.823 10 5 EFBERN Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000126058874 473483565 /nfs/dbraw/zinc/48/35/65/473483565.db2.gz BVHRCMIBPLKOSS-BBRMVZONSA-N 0 0 328.372 2.823 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2nccs2)c1[N+](=O)[O-] ZINC000185755773 473506252 /nfs/dbraw/zinc/50/62/52/473506252.db2.gz SMPXYVNGQYQVIC-SNVBAGLBSA-N 0 0 335.389 2.704 10 5 EFBERN CCc1n[nH]c(C(=O)NCc2oc3ccccc3c2C)c1[N+](=O)[O-] ZINC000172083890 473518360 /nfs/dbraw/zinc/51/83/60/473518360.db2.gz QIUUWCJGFNRKSQ-UHFFFAOYSA-N 0 0 328.328 2.865 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000185819246 473523399 /nfs/dbraw/zinc/52/33/99/473523399.db2.gz XLFRBULHXQVUGI-AWEZNQCLSA-N 0 0 330.319 2.519 10 5 EFBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-n2ccnn2)c1 ZINC000166302108 473523743 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CCOC(=O)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000180478613 473888329 /nfs/dbraw/zinc/88/83/29/473888329.db2.gz XLUYFKRWHKEUTD-UHFFFAOYSA-N 0 0 336.388 2.718 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000187612809 473892698 /nfs/dbraw/zinc/89/26/98/473892698.db2.gz VZCZIAYDGKTBBT-UHFFFAOYSA-N 0 0 348.359 2.531 10 5 EFBERN COC(=O)CCCCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194508797 473907745 /nfs/dbraw/zinc/90/77/45/473907745.db2.gz HIAUFXXUMJWARQ-GFCCVEGCSA-N 0 0 337.376 2.688 10 5 EFBERN CCOc1ccc([C@@H](C)NCc2cc(C(N)=O)co2)cc1[N+](=O)[O-] ZINC000187723563 473908910 /nfs/dbraw/zinc/90/89/10/473908910.db2.gz FFBMJCHGOSEETK-SNVBAGLBSA-N 0 0 333.344 2.536 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(c2ccccc2OC)C1 ZINC000288321942 473909785 /nfs/dbraw/zinc/90/97/85/473909785.db2.gz DGXCUWKNVKNYHJ-ZDUSSCGKSA-N 0 0 345.403 2.819 10 5 EFBERN O=C(Nc1cn(Cc2ccccc2)nn1)c1csc([N+](=O)[O-])c1 ZINC000194523677 473911679 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EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000282090648 473943214 /nfs/dbraw/zinc/94/32/14/473943214.db2.gz YJEWYYICQCOSDM-XHDPSFHLSA-N 0 0 337.376 2.882 10 5 EFBERN CC(=O)c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000188018482 473956028 /nfs/dbraw/zinc/95/60/28/473956028.db2.gz ZPQYNTQUZOWCON-UHFFFAOYSA-N 0 0 335.703 2.804 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCCc2cccc3[nH]ccc32)c1[N+](=O)[O-] ZINC000282146453 473959631 /nfs/dbraw/zinc/95/96/31/473959631.db2.gz NOZFQCJBKXIANH-UHFFFAOYSA-N 0 0 341.371 2.895 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-n2ccnc2)c1 ZINC000173932731 473960533 /nfs/dbraw/zinc/96/05/33/473960533.db2.gz INQBWRCCDUGEAA-NSHDSACASA-N 0 0 326.312 2.865 10 5 EFBERN CCOc1ccc(-c2noc(Cn3cc(C)c([N+](=O)[O-])n3)n2)cc1 ZINC000282147360 473961245 /nfs/dbraw/zinc/96/12/45/473961245.db2.gz BKHWHOCYGFXGIY-UHFFFAOYSA-N 0 0 329.316 2.597 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@H]2CCOc3c(C)cccc32)c1[N+](=O)[O-] ZINC000188097666 473980867 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C[C@@H](CO)[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000270212512 474031080 /nfs/dbraw/zinc/03/10/80/474031080.db2.gz DVOAXHFYXXZFKK-KBPBESRZSA-N 0 0 349.431 2.578 10 5 EFBERN Cn1nccc1C1=CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC000288731922 474035290 /nfs/dbraw/zinc/03/52/90/474035290.db2.gz FSNDTSVLZKTXNP-UHFFFAOYSA-N 0 0 348.309 2.536 10 5 EFBERN CC[C@H](NCc1csc(CC(=O)NC)n1)c1cccc([N+](=O)[O-])c1 ZINC000181533098 474045060 /nfs/dbraw/zinc/04/50/60/474045060.db2.gz IDZQEWZQMOQFCX-AWEZNQCLSA-N 0 0 348.428 2.581 10 5 EFBERN CC[C@H](NC(=O)NC[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247067188 474054119 /nfs/dbraw/zinc/05/41/19/474054119.db2.gz OJIHRVHAWGDYSZ-VNQPRFMTSA-N 0 0 335.404 2.896 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1Sc1ncn(-c2ccccc2)n1 ZINC000195342850 474062080 /nfs/dbraw/zinc/06/20/80/474062080.db2.gz DEEMOEVVQBBRLL-UHFFFAOYSA-N 0 0 330.373 2.852 10 5 EFBERN CC[C@@H](NC(=O)NC[C@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000275094796 474067648 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Cc1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000188770137 474189829 /nfs/dbraw/zinc/18/98/29/474189829.db2.gz RFYBDOSHSZROOH-LBPRGKRZSA-N 0 0 343.387 2.835 10 5 EFBERN Cc1c(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000188776321 474191975 /nfs/dbraw/zinc/19/19/75/474191975.db2.gz KGTSPDGJXBXUQQ-LBPRGKRZSA-N 0 0 343.387 2.835 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCC3(CCOCC3)[C@@H]1O)CCN2 ZINC000282814434 474205303 /nfs/dbraw/zinc/20/53/03/474205303.db2.gz JQRQACGWQBIDBH-YVEFUNNKSA-N 0 0 347.415 2.542 10 5 EFBERN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000247750699 474207080 /nfs/dbraw/zinc/20/70/80/474207080.db2.gz SHTYGDASTBIUTP-ZLENFMNRSA-N 0 0 340.383 2.766 10 5 EFBERN COCCCN(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000247840330 474215496 /nfs/dbraw/zinc/21/54/96/474215496.db2.gz KSQQMCRUSJBZES-CQSZACIVSA-N 0 0 349.431 2.940 10 5 EFBERN COCc1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n2ncnc2n1 ZINC000247898116 474224046 /nfs/dbraw/zinc/22/40/46/474224046.db2.gz VJEKUVOYZMRCFM-UHFFFAOYSA-N 0 0 335.707 2.625 10 5 EFBERN COC(=O)c1cc(NC(=O)CSC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000265472882 474227426 /nfs/dbraw/zinc/22/74/26/474227426.db2.gz PUBONSXTUNUNLR-UHFFFAOYSA-N 0 0 326.374 2.852 10 5 EFBERN O=[N+]([O-])c1ccc(OCCCN2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182676496 474231856 /nfs/dbraw/zinc/23/18/56/474231856.db2.gz NCHGWSBRYFTEKQ-OAHLLOKOSA-N 0 0 331.376 2.709 10 5 EFBERN Cn1c2c(nc1[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1)CCCC2 ZINC000275562123 474236608 /nfs/dbraw/zinc/23/66/08/474236608.db2.gz IFJSAOYXXNKVGC-OAHLLOKOSA-N 0 0 327.388 2.944 10 5 EFBERN C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000247975545 474237500 /nfs/dbraw/zinc/23/75/00/474237500.db2.gz GJFJDJRYQUCOMM-DLBZAZTESA-N 0 0 343.358 2.909 10 5 EFBERN CC[C@@H](NC(=O)NCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000175518797 474240075 /nfs/dbraw/zinc/24/00/75/474240075.db2.gz DDDGAFLBEHBYMV-MRXNPFEDSA-N 0 0 328.372 2.983 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(F)cc3)CCCC2)n1 ZINC000270739471 474244355 /nfs/dbraw/zinc/24/43/55/474244355.db2.gz FRGVGCMLBNFZSN-UHFFFAOYSA-N 0 0 346.362 2.709 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000270760535 474252927 /nfs/dbraw/zinc/25/29/27/474252927.db2.gz MJQQQHYLIWLSKY-LBPRGKRZSA-N 0 0 348.790 2.829 10 5 EFBERN C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182806852 474260512 /nfs/dbraw/zinc/26/05/12/474260512.db2.gz KFAGALOQAGESDE-NXEZZACHSA-N 0 0 339.779 2.834 10 5 EFBERN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000270788159 474266768 /nfs/dbraw/zinc/26/67/68/474266768.db2.gz AHOXBFOGCBJPRD-NSHDSACASA-N 0 0 332.360 2.560 10 5 EFBERN Cc1nn(C)c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000175631393 474268967 /nfs/dbraw/zinc/26/89/67/474268967.db2.gz RHUSXHAZSRPVCZ-JQWIXIFHSA-N 0 0 332.360 2.843 10 5 EFBERN CO[C@@H](C)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289450874 474276567 /nfs/dbraw/zinc/27/65/67/474276567.db2.gz BNNDQMZALRESAX-SFYZADRCSA-N 0 0 333.291 2.741 10 5 EFBERN Cc1nn(CCC(=O)N2CC3(CC3)c3ccccc32)c(C)c1[N+](=O)[O-] ZINC000265731395 474313988 /nfs/dbraw/zinc/31/39/88/474313988.db2.gz RXAIPOSCRPOFLN-UHFFFAOYSA-N 0 0 340.383 2.877 10 5 EFBERN COC(=O)C[C@H]1CCCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275781764 474316164 /nfs/dbraw/zinc/31/61/64/474316164.db2.gz IQVDDERCMWDTKK-LLVKDONJSA-N 0 0 340.763 2.724 10 5 EFBERN CC[C@H](C)[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000275812158 474328481 /nfs/dbraw/zinc/32/84/81/474328481.db2.gz CRGJCLYAGCDTAV-SDBXPKJASA-N 0 0 342.779 2.874 10 5 EFBERN CC[C@](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])(C(N)=O)C(C)C ZINC000275816943 474329830 /nfs/dbraw/zinc/32/98/30/474329830.db2.gz PDGCJOZDSJLLMN-OAHLLOKOSA-N 0 0 341.795 2.577 10 5 EFBERN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000183140834 474337048 /nfs/dbraw/zinc/33/70/48/474337048.db2.gz KREIVWAUKCZDJA-SUNKGSAMSA-N 0 0 332.360 2.863 10 5 EFBERN COC(=O)[C@]1(C)CCCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275855554 474342853 /nfs/dbraw/zinc/34/28/53/474342853.db2.gz XYCYVYQUYSRXCG-HNNXBMFYSA-N 0 0 340.763 2.724 10 5 EFBERN CC[C@H](NC(=O)NCc1ccnc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000175935669 474342976 /nfs/dbraw/zinc/34/29/76/474342976.db2.gz YIAGKVYFESZRDG-HNNXBMFYSA-N 0 0 329.360 2.644 10 5 EFBERN CO[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000189268441 474343707 /nfs/dbraw/zinc/34/37/07/474343707.db2.gz QXQIXAWRDKUURS-YGRLFVJLSA-N 0 0 341.795 2.544 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000183253545 474359416 /nfs/dbraw/zinc/35/94/16/474359416.db2.gz ARKCAUGLFXQTFR-QGZVFWFLSA-N 0 0 343.383 2.777 10 5 EFBERN COC(=O)[C@H]1CCCCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275911492 474359414 /nfs/dbraw/zinc/35/94/14/474359414.db2.gz OMUKJFZECQHCAK-LLVKDONJSA-N 0 0 340.763 2.724 10 5 EFBERN COc1ccc(Cl)cc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176012880 474363228 /nfs/dbraw/zinc/36/32/28/474363228.db2.gz KFXZXLDENWBWFW-UHFFFAOYSA-N 0 0 335.747 2.769 10 5 EFBERN CO[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000189344014 474366426 /nfs/dbraw/zinc/36/64/26/474366426.db2.gz YQWBTCWSEDSDFP-YGRLFVJLSA-N 0 0 341.795 2.544 10 5 EFBERN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248589772 474368512 /nfs/dbraw/zinc/36/85/12/474368512.db2.gz KREIVWAUKCZDJA-COPLHBTASA-N 0 0 332.360 2.863 10 5 EFBERN CC[C@@H](NC(=O)NCCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000176096156 474381982 /nfs/dbraw/zinc/38/19/82/474381982.db2.gz GCKVOSBZHNWFTL-MRXNPFEDSA-N 0 0 345.403 2.711 10 5 EFBERN Cc1sc(C(=O)NC[C@@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000265918677 474385594 /nfs/dbraw/zinc/38/55/94/474385594.db2.gz LWWNMFIHAPBNNX-CYBMUJFWSA-N 0 0 326.399 2.664 10 5 EFBERN CN1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])c2ccccc21 ZINC000183602989 474398756 /nfs/dbraw/zinc/39/87/56/474398756.db2.gz NRDUAZZHYLQJCQ-LBPRGKRZSA-N 0 0 341.371 2.735 10 5 EFBERN CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176174326 474400676 /nfs/dbraw/zinc/40/06/76/474400676.db2.gz CYICFDIPQFUSAT-XJKSGUPXSA-N 0 0 334.420 2.687 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1Cn1ccnc1 ZINC000176185525 474404242 /nfs/dbraw/zinc/40/42/42/474404242.db2.gz LWPCXJAFZFKQPH-LBPRGKRZSA-N 0 0 334.763 2.750 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccs1 ZINC000608932691 480104724 /nfs/dbraw/zinc/10/47/24/480104724.db2.gz SNLHJNXNLXDWHN-SECBINFHSA-N 0 0 334.353 2.919 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000176218542 474412123 /nfs/dbraw/zinc/41/21/23/474412123.db2.gz SYVOHTAQZKLGFV-YOEHRIQHSA-N 0 0 341.367 2.991 10 5 EFBERN CC[C@@H](NC(=O)c1ccoc1CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000283502603 474420564 /nfs/dbraw/zinc/42/05/64/474420564.db2.gz RHPDWACLSOOZQT-CQSZACIVSA-N 0 0 346.339 2.784 10 5 EFBERN COc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000189503225 474422889 /nfs/dbraw/zinc/42/28/89/474422889.db2.gz ZRXNBZFGZVOKBN-KDOFPFPSSA-N 0 0 348.399 2.679 10 5 EFBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[C@H]1C ZINC000276122745 474424262 /nfs/dbraw/zinc/42/42/62/474424262.db2.gz ZBCZORHWHXACAN-DYVFJYSZSA-N 0 0 347.415 2.692 10 5 EFBERN CO[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000276128717 474426706 /nfs/dbraw/zinc/42/67/06/474426706.db2.gz ZSBFAFCIVDQALY-LDYMZIIASA-N 0 0 330.182 2.614 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000189553484 474437931 /nfs/dbraw/zinc/43/79/31/474437931.db2.gz PFDNKSVYBUPCKQ-NSHDSACASA-N 0 0 347.396 2.968 10 5 EFBERN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000276183339 474443909 /nfs/dbraw/zinc/44/39/09/474443909.db2.gz VMMSXGDUOSAWPI-UHFFFAOYSA-N 0 0 342.277 2.586 10 5 EFBERN CC[C@H](NC(=O)NCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000176381356 474457094 /nfs/dbraw/zinc/45/70/94/474457094.db2.gz IHKKIYIGWDBQLA-INIZCTEOSA-N 0 0 345.403 2.896 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)cc1OC(F)F ZINC000266750386 474469763 /nfs/dbraw/zinc/46/97/63/474469763.db2.gz SJGNOVJAHBHWJD-NSHDSACASA-N 0 0 342.220 2.700 10 5 EFBERN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000184121851 474473883 /nfs/dbraw/zinc/47/38/83/474473883.db2.gz VFDAFKAZKATZSM-JTQLQIEISA-N 0 0 326.399 2.837 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2ccc([C@H](C)O)cc2)c1[N+](=O)[O-] ZINC000283709897 474475044 /nfs/dbraw/zinc/47/50/44/474475044.db2.gz DQUNHGSWFKVMDB-NSHDSACASA-N 0 0 345.355 2.750 10 5 EFBERN Nc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176445420 474477384 /nfs/dbraw/zinc/47/73/84/474477384.db2.gz UHPSYZHSRRHXHJ-UHFFFAOYSA-N 0 0 347.415 2.988 10 5 EFBERN CCOC(=O)C(C)(C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000608952404 480106696 /nfs/dbraw/zinc/10/66/96/480106696.db2.gz WPRUGQFRPFRESI-UHFFFAOYSA-N 0 0 336.388 2.964 10 5 EFBERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000608966207 480106840 /nfs/dbraw/zinc/10/68/40/480106840.db2.gz HKRMHABLIJBYDH-BLLLJJGKSA-N 0 0 329.356 2.536 10 5 EFBERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000248987925 474500093 /nfs/dbraw/zinc/50/00/93/474500093.db2.gz VWKJKYKHCHWZMM-GJZGRUSLSA-N 0 0 332.360 2.557 10 5 EFBERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271346926 474503228 /nfs/dbraw/zinc/50/32/28/474503228.db2.gz DFHVGQQAZMOKML-UHFFFAOYSA-N 0 0 342.277 2.619 10 5 EFBERN COc1cc(NC[C@@H]2COC3(CCCC3)O2)c([N+](=O)[O-])cc1F ZINC000271352235 474506579 /nfs/dbraw/zinc/50/65/79/474506579.db2.gz GNPGPCIFMACGIR-SNVBAGLBSA-N 0 0 326.324 2.840 10 5 EFBERN COc1ccccc1[C@H](CC(C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271355139 474507093 /nfs/dbraw/zinc/50/70/93/474507093.db2.gz FMBOCSVWYVYSDK-ZDUSSCGKSA-N 0 0 346.387 2.854 10 5 EFBERN CCOC(CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000276368015 474513393 /nfs/dbraw/zinc/51/33/93/474513393.db2.gz WSIUGPOBVUNXGI-LBPRGKRZSA-N 0 0 339.392 2.744 10 5 EFBERN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000249054855 474513927 /nfs/dbraw/zinc/51/39/27/474513927.db2.gz YLBYNYSZTYMVPE-BLLLJJGKSA-N 0 0 345.359 2.783 10 5 EFBERN CC[C@@H](NC(=O)N1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000176681626 474517821 /nfs/dbraw/zinc/51/78/21/474517821.db2.gz PFYFJRVJRDWTAD-OAHLLOKOSA-N 0 0 349.387 2.594 10 5 EFBERN CCc1oc2ccccc2c1CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271422068 474540376 /nfs/dbraw/zinc/54/03/76/474540376.db2.gz QDRDXJDQVOYWOA-UHFFFAOYSA-N 0 0 342.355 2.909 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](n2ccnc2)C1 ZINC000609131033 480115218 /nfs/dbraw/zinc/11/52/18/480115218.db2.gz GVOWWXSUAZWMCM-ZDUSSCGKSA-N 0 0 339.355 2.750 10 5 EFBERN Cc1c(C(=O)N2CC[C@@H](Oc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000238870466 474542416 /nfs/dbraw/zinc/54/24/16/474542416.db2.gz MTVPXRKOFOIHSY-CYBMUJFWSA-N 0 0 327.340 2.592 10 5 EFBERN CC(C)C[C@@H](CO)N(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184541831 474543010 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EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000375107868 476678217 /nfs/dbraw/zinc/67/82/17/476678217.db2.gz JBNLRCZRPOQERK-JTQLQIEISA-N 0 0 333.294 2.898 10 5 EFBERN COC[C@H]1CCCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000375145824 476687905 /nfs/dbraw/zinc/68/79/05/476687905.db2.gz WWDMWQNQICTXCQ-ZDUSSCGKSA-N 0 0 336.388 2.943 10 5 EFBERN COc1cccc(C(=O)NC[C@@H]2CC23CCSCC3)c1[N+](=O)[O-] ZINC000421593921 476688268 /nfs/dbraw/zinc/68/82/68/476688268.db2.gz XFLIRHPSJDYJJS-NSHDSACASA-N 0 0 336.413 2.867 10 5 EFBERN COc1ccc2ccn(Cc3ccc([N+](=O)[O-])cc3OC)c(=O)c2c1 ZINC000429780567 476688299 /nfs/dbraw/zinc/68/82/99/476688299.db2.gz AZJZBNHEPAEFAS-UHFFFAOYSA-N 0 0 340.335 2.975 10 5 EFBERN C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000422026734 476700490 /nfs/dbraw/zinc/70/04/90/476700490.db2.gz GMLLIMUWRWUQTN-TZMCWYRMSA-N 0 0 341.367 2.642 10 5 EFBERN COC(=O)CCCCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429849478 476703414 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Cc1nc([C@@](C)(NC(=O)c2cc(C)ccc2[N+](=O)[O-])C2CC2)no1 ZINC000410974885 477085155 /nfs/dbraw/zinc/08/51/55/477085155.db2.gz MBYAKFMINZGZGU-INIZCTEOSA-N 0 0 330.344 2.650 10 5 EFBERN Cc1cccnc1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000452797535 477086552 /nfs/dbraw/zinc/08/65/52/477086552.db2.gz PKXHSZSCLDEWMZ-UHFFFAOYSA-N 0 0 327.384 2.935 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1CC1CCC1 ZINC000410995156 477087875 /nfs/dbraw/zinc/08/78/75/477087875.db2.gz GIJVQZNVVJBVOF-CQSZACIVSA-N 0 0 334.372 2.635 10 5 EFBERN CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000452800356 477088324 /nfs/dbraw/zinc/08/83/24/477088324.db2.gz VZPVJWGATZKLJT-UHFFFAOYSA-N 0 0 349.337 2.905 10 5 EFBERN CC[C@@H](C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)OC ZINC000452814486 477093715 /nfs/dbraw/zinc/09/37/15/477093715.db2.gz QEZSPRTWCUFXHN-OTYXRUKQSA-N 0 0 330.331 2.593 10 5 EFBERN CC[C@@H](CC(F)F)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000457590652 477097717 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10 5 EFBERN CO[C@@H](C)[C@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454822963 477391105 /nfs/dbraw/zinc/39/11/05/477391105.db2.gz IOIZVFTXCLHKBO-YDHLFZDLSA-N 0 0 335.404 2.907 10 5 EFBERN CCOC[C@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454846321 477400803 /nfs/dbraw/zinc/40/08/03/477400803.db2.gz ZDFXOWXSOOAMQS-DZGCQCFKSA-N 0 0 335.404 2.909 10 5 EFBERN Cn1nccc1CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000436044897 477411631 /nfs/dbraw/zinc/41/16/31/477411631.db2.gz YAPRHFJBWIZAEH-UHFFFAOYSA-N 0 0 328.250 2.528 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000367266633 477422095 /nfs/dbraw/zinc/42/20/95/477422095.db2.gz IKPBYAZWZJJOCW-QGZVFWFLSA-N 0 0 329.331 2.888 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000367266541 477422273 /nfs/dbraw/zinc/42/22/73/477422273.db2.gz HKYVKWFAUJKBQR-MRXNPFEDSA-N 0 0 332.335 2.591 10 5 EFBERN COC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412410315 477423974 /nfs/dbraw/zinc/42/39/74/477423974.db2.gz OLBPWKIHVOYHKT-RRQGHBQHSA-N 0 0 332.400 2.973 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367292454 477435499 /nfs/dbraw/zinc/43/54/99/477435499.db2.gz RTYPMEXMKTXTAW-LJQANCHMSA-N 0 0 340.379 2.761 10 5 EFBERN C[C@@H]1Cc2cccc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c2O1 ZINC000449106276 477442590 /nfs/dbraw/zinc/44/25/90/477442590.db2.gz HDGZISMNHFJNLF-GFCCVEGCSA-N 0 0 341.367 2.760 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CS1 ZINC000412603592 477448233 /nfs/dbraw/zinc/44/82/33/477448233.db2.gz OWZDQVSMCBVFEJ-APPZFPTMSA-N 0 0 332.328 2.820 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367312324 477448824 /nfs/dbraw/zinc/44/88/24/477448824.db2.gz MJJUVCTWZVMEGO-KRWDZBQOSA-N 0 0 346.408 2.823 10 5 EFBERN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000367325056 477455965 /nfs/dbraw/zinc/45/59/65/477455965.db2.gz AOJFMWQKFPXZOA-CYBMUJFWSA-N 0 0 332.360 2.577 10 5 EFBERN O=C(NCC1(O)Cc2ccccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000371708694 477456802 /nfs/dbraw/zinc/45/68/02/477456802.db2.gz HMHTWTFHIFDUDQ-UHFFFAOYSA-N 0 0 346.770 2.508 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000367330277 477456891 /nfs/dbraw/zinc/45/68/91/477456891.db2.gz NGVMHVUTLLZPDH-CYBMUJFWSA-N 0 0 344.371 2.534 10 5 EFBERN O=C(Cc1ccc2c(c1)NCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449152567 477460032 /nfs/dbraw/zinc/46/00/32/477460032.db2.gz GNNJEYZJIQSGRE-UHFFFAOYSA-N 0 0 337.379 2.690 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@H](CO)[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458516484 477462048 /nfs/dbraw/zinc/46/20/48/477462048.db2.gz SHDKCGJEYLDIPC-KBMXLJTQSA-N 0 0 335.404 2.848 10 5 EFBERN CC1(C)CCC[C@H](n2cc([N+](=O)[O-])cc(Br)c2=O)C1=O ZINC000413001140 477469036 /nfs/dbraw/zinc/46/90/36/477469036.db2.gz RFKQRVUUCVVCEI-JTQLQIEISA-N 0 0 343.177 2.839 10 5 EFBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000455035865 477475193 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C[C@H](NC(=O)NCC1(CF)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000455117175 477505461 /nfs/dbraw/zinc/50/54/61/477505461.db2.gz ZIFKQYVKTKWDDY-LBPRGKRZSA-N 0 0 339.367 2.721 10 5 EFBERN COc1nccc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000419522145 477526615 /nfs/dbraw/zinc/52/66/15/477526615.db2.gz LRKPFQRWSCRBCZ-UHFFFAOYSA-N 0 0 348.384 2.655 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2cc(C)nc2C1 ZINC000376883645 477548979 /nfs/dbraw/zinc/54/89/79/477548979.db2.gz LEGKYCUMXSCWMB-FMIVXFBMSA-N 0 0 326.356 2.545 10 5 EFBERN C[C@@H]1C[C@H]1N1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413170689 477552864 /nfs/dbraw/zinc/55/28/64/477552864.db2.gz OCFCCFHDAWLLBV-IXPVHAAZSA-N 0 0 326.356 2.564 10 5 EFBERN COc1ccccc1N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413179154 477557130 /nfs/dbraw/zinc/55/71/30/477557130.db2.gz CBIFBWYYGKCSDS-NSHDSACASA-N 0 0 332.335 2.828 10 5 EFBERN CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1nnc2ccccn21 ZINC000413205984 477568600 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EFBERN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000450474142 477599683 /nfs/dbraw/zinc/59/96/83/477599683.db2.gz JDHGLKGRGRVQPP-HIFRSBDPSA-N 0 0 333.388 2.938 10 5 EFBERN O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000372013942 477599811 /nfs/dbraw/zinc/59/98/11/477599811.db2.gz RUKCZVLZUXAHBF-KRWDZBQOSA-N 0 0 341.367 2.888 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000372014535 477600354 /nfs/dbraw/zinc/60/03/54/477600354.db2.gz ZMTGJPKCMDZDPF-OAHLLOKOSA-N 0 0 347.758 2.857 10 5 EFBERN CCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000425015859 477602273 /nfs/dbraw/zinc/60/22/73/477602273.db2.gz DNJIYRVTOBSMIH-UHFFFAOYSA-N 0 0 333.388 2.544 10 5 EFBERN Nc1nc(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cs1 ZINC000413280171 477606741 /nfs/dbraw/zinc/60/67/41/477606741.db2.gz LKMUKSUKWSEIJQ-UHFFFAOYSA-N 0 0 333.295 2.532 10 5 EFBERN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000425031044 477609339 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348.402 2.934 10 5 EFBERN COC(=O)Cc1ccc(NCCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000450549731 477628956 /nfs/dbraw/zinc/62/89/56/477628956.db2.gz AHYDOCCQHUDKOJ-UHFFFAOYSA-N 0 0 336.388 2.929 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC(CC(F)F)C1 ZINC000425075885 477632044 /nfs/dbraw/zinc/63/20/44/477632044.db2.gz MJMGKUWAIAIBKW-UHFFFAOYSA-N 0 0 336.241 2.923 10 5 EFBERN COCc1cc(Cl)ccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000425115838 477641504 /nfs/dbraw/zinc/64/15/04/477641504.db2.gz RZKYYKLRVZGWAD-UHFFFAOYSA-N 0 0 338.751 2.538 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC2CCC(CS(C)(=O)=O)CC2)n1 ZINC000450582007 477641798 /nfs/dbraw/zinc/64/17/98/477641798.db2.gz PUSSSHPKRSFLOC-UHFFFAOYSA-N 0 0 341.433 2.622 10 5 EFBERN COC[C@](C)(O)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000450591247 477645529 /nfs/dbraw/zinc/64/55/29/477645529.db2.gz JOLGUMJOSLXSGG-GFCCVEGCSA-N 0 0 333.182 2.557 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O)cc2OC(C)C)n1 ZINC000436951473 477645823 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EFBERN CC1(C)COC[C@@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455497835 477661672 /nfs/dbraw/zinc/66/16/72/477661672.db2.gz UTSHPDIPFHUVCK-ZBFHGGJFSA-N 0 0 347.415 2.909 10 5 EFBERN COc1ccc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000450659405 477673141 /nfs/dbraw/zinc/67/31/41/477673141.db2.gz QHNILLQQTZGEKI-QAPCUYQASA-N 0 0 346.358 2.908 10 5 EFBERN Cc1nc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000450660309 477673681 /nfs/dbraw/zinc/67/36/81/477673681.db2.gz SKLZQHMTMAJWCP-YOEHRIQHSA-N 0 0 331.347 2.603 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](O)[C@H](C4CCCC4)C3)nc2c1 ZINC000413447808 477683897 /nfs/dbraw/zinc/68/38/97/477683897.db2.gz IYSCSXXWLVVULJ-XJKSGUPXSA-N 0 0 330.388 2.849 10 5 EFBERN COC(=O)c1cc(C)nc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000450696134 477686100 /nfs/dbraw/zinc/68/61/00/477686100.db2.gz UCCDJCZUTJNVGJ-MCTLKSGKSA-N 0 0 343.383 2.733 10 5 EFBERN CC(C)(C)Oc1cc(N2CC[C@@](O)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000450697585 477687327 /nfs/dbraw/zinc/68/73/27/477687327.db2.gz AGJMUNODKCTVMK-HNNXBMFYSA-N 0 0 330.331 2.978 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCn2c(cc3ccccc32)C1 ZINC000367791192 477692175 /nfs/dbraw/zinc/69/21/75/477692175.db2.gz IRUXVTBVTMHMJN-UHFFFAOYSA-N 0 0 336.351 2.991 10 5 EFBERN C[C@H]1[C@@H](O)CCCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450716809 477694525 /nfs/dbraw/zinc/69/45/25/477694525.db2.gz KKZZFHBFCWUOPH-BBRMVZONSA-N 0 0 343.383 2.918 10 5 EFBERN CC(C)Oc1cc(C(=O)N2CCC([C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000413483876 477696349 /nfs/dbraw/zinc/69/63/49/477696349.db2.gz XXRZWJBAEYVWQU-GFCCVEGCSA-N 0 0 336.388 2.615 10 5 EFBERN O=[N+]([O-])c1cnc(NCC2(CF)CCOCC2)c(Br)c1 ZINC000450732845 477699013 /nfs/dbraw/zinc/69/90/13/477699013.db2.gz KWSJZZRZTHPUIU-UHFFFAOYSA-N 0 0 348.172 2.931 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000377221487 477699289 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EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(SC)cc2)n1 ZINC000437529406 477715558 /nfs/dbraw/zinc/71/55/58/477715558.db2.gz QIQUHQNKAHZRKW-UHFFFAOYSA-N 0 0 334.401 2.506 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000413551749 477726167 /nfs/dbraw/zinc/72/61/67/477726167.db2.gz NNEOUEXPQZFYJT-CQSZACIVSA-N 0 0 344.346 2.963 10 5 EFBERN CCc1ncc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])o1 ZINC000450847911 477736505 /nfs/dbraw/zinc/73/65/05/477736505.db2.gz QRKDTJZVBLMSIM-UHFFFAOYSA-N 0 0 346.387 2.590 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000450866238 477742526 /nfs/dbraw/zinc/74/25/26/477742526.db2.gz WQDDBWJMFQIKFX-NEPJUHHUSA-N 0 0 326.356 2.768 10 5 EFBERN Cc1sc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000372299150 477743476 /nfs/dbraw/zinc/74/34/76/477743476.db2.gz WIHJBHUTYXVPRK-CYBMUJFWSA-N 0 0 331.397 2.881 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c(F)c1 ZINC000426726281 477743796 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2.893 10 5 EFBERN Cc1cc(N2C[C@H](O)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450938764 477768590 /nfs/dbraw/zinc/76/85/90/477768590.db2.gz JIRZURABOQGHSW-XHDPSFHLSA-N 0 0 328.372 2.567 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)n1 ZINC000427320333 477773105 /nfs/dbraw/zinc/77/31/05/477773105.db2.gz LOQSABRJDSPBEQ-SECBINFHSA-N 0 0 334.298 2.614 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000427625402 477776077 /nfs/dbraw/zinc/77/60/77/477776077.db2.gz FIZVFAGMHGWFTI-UHFFFAOYSA-N 0 0 326.356 2.558 10 5 EFBERN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1[nH]ncc1[N+](=O)[O-] ZINC000427824837 477778683 /nfs/dbraw/zinc/77/86/83/477778683.db2.gz JXXPIXRKGXGXTL-UHFFFAOYSA-N 0 0 332.282 2.703 10 5 EFBERN COC(=O)CCCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438004698 477786086 /nfs/dbraw/zinc/78/60/86/477786086.db2.gz REWGGTXJRBGYOE-UHFFFAOYSA-N 0 0 349.387 2.612 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(Cn4cccn4)c3)nc2c1 ZINC000427984067 477798763 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Cc1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)no1 ZINC000559856524 478004301 /nfs/dbraw/zinc/00/43/01/478004301.db2.gz RKDJQMZGUCVOMJ-UHFFFAOYSA-N 0 0 333.347 2.908 10 5 EFBERN CC1(C2(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000456642325 478021064 /nfs/dbraw/zinc/02/10/64/478021064.db2.gz HQBZMWAWYRPPAX-UHFFFAOYSA-N 0 0 326.356 2.843 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)C[C@H](O)COCc1ccccc1 ZINC000516981318 478028032 /nfs/dbraw/zinc/02/80/32/478028032.db2.gz LWTHMUWITUIBBC-HNNXBMFYSA-N 0 0 346.383 2.617 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cc(F)ccc1F ZINC000494691407 478044937 /nfs/dbraw/zinc/04/49/37/478044937.db2.gz PLUVDJVXTQIZHU-UHFFFAOYSA-N 0 0 336.294 2.854 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCC2=O)cc1 ZINC000439953427 478054137 /nfs/dbraw/zinc/05/41/37/478054137.db2.gz WPNCSPHQTMRDGE-UHFFFAOYSA-N 0 0 340.339 2.653 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NCCc1cccc(C(=O)N(C)C)c1 ZINC000517201738 478059288 /nfs/dbraw/zinc/05/92/88/478059288.db2.gz RVGTXBLFEMWWGY-UHFFFAOYSA-N 0 0 343.383 2.960 10 5 EFBERN CC[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421370574 478060308 /nfs/dbraw/zinc/06/03/08/478060308.db2.gz BXFDRRPHORSFLT-DJIMGWMZSA-N 0 0 344.415 2.965 10 5 EFBERN CCOC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000494761736 478061776 /nfs/dbraw/zinc/06/17/76/478061776.db2.gz VMTTYRIZCPNNAF-AWEZNQCLSA-N 0 0 338.407 2.696 10 5 EFBERN CCO[C@@H]1C[C@@](O)(CNc2c3ccccc3ncc2[N+](=O)[O-])C1(C)C ZINC000487738473 478068462 /nfs/dbraw/zinc/06/84/62/478068462.db2.gz GRIKPWVSGIXNHS-CRAIPNDOSA-N 0 0 345.399 2.543 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000487764815 478070673 /nfs/dbraw/zinc/07/06/73/478070673.db2.gz WUDUKYJTJAEZTG-CQSZACIVSA-N 0 0 326.400 2.994 10 5 EFBERN CS(=O)(=O)[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487760534 478071528 /nfs/dbraw/zinc/07/15/28/478071528.db2.gz MCFCAZBYUQGOOM-GFCCVEGCSA-N 0 0 349.412 2.547 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000429217354 478081373 /nfs/dbraw/zinc/08/13/73/478081373.db2.gz SFDYNSMXTCMMLD-UHFFFAOYSA-N 0 0 345.359 2.738 10 5 EFBERN CC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000487896736 478082405 /nfs/dbraw/zinc/08/24/05/478082405.db2.gz KZLZWWAZJKQRMZ-HIFRSBDPSA-N 0 0 347.415 2.809 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1csc2nccn12 ZINC000429250069 478090286 /nfs/dbraw/zinc/09/02/86/478090286.db2.gz FJRZZHAKRFTOPF-JTQLQIEISA-N 0 0 342.380 2.824 10 5 EFBERN O=C(CCC(=O)N1CC[C@]2(C1)CCCOC2)c1cccc([N+](=O)[O-])c1 ZINC000451560242 478093140 /nfs/dbraw/zinc/09/31/40/478093140.db2.gz GWRMEBGZQKMQRL-SFHVURJKSA-N 0 0 346.383 2.587 10 5 EFBERN Cc1cc(F)ccc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000487965733 478093763 /nfs/dbraw/zinc/09/37/63/478093763.db2.gz URBCOQKASRQOHQ-KRWDZBQOSA-N 0 0 348.374 2.914 10 5 EFBERN C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000421487086 478105566 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ZINC000600772444 478513589 /nfs/dbraw/zinc/51/35/89/478513589.db2.gz JRUJSMRJHYONKU-ZDUSSCGKSA-N 0 0 327.340 2.634 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600772296 478514308 /nfs/dbraw/zinc/51/43/08/478514308.db2.gz IKNJPWMCOJFQJL-HNNXBMFYSA-N 0 0 326.352 2.859 10 5 EFBERN CC(C)n1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000582149773 478521417 /nfs/dbraw/zinc/52/14/17/478521417.db2.gz ZSQXPHLEBUYLAH-UHFFFAOYSA-N 0 0 327.344 2.784 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H]1c1cccs1 ZINC000594744480 478526159 /nfs/dbraw/zinc/52/61/59/478526159.db2.gz LVYADOLTJPTZBU-JTQLQIEISA-N 0 0 339.398 2.577 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600800393 478526898 /nfs/dbraw/zinc/52/68/98/478526898.db2.gz KRGCRXZCEBWSEY-KLPPZKSPSA-N 0 0 342.779 2.558 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000594748952 478529037 /nfs/dbraw/zinc/52/90/37/478529037.db2.gz QFWGFORUWSIODA-FRRDWIJNSA-N 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EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)c2ccccn2)cc1C ZINC000594795347 478543239 /nfs/dbraw/zinc/54/32/39/478543239.db2.gz KWQKLPIPJAUOQG-CYBMUJFWSA-N 0 0 349.412 2.689 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)c1ccccn1 ZINC000594798091 478544659 /nfs/dbraw/zinc/54/46/59/478544659.db2.gz YSIKBIAQJCRKBG-GFCCVEGCSA-N 0 0 349.412 2.634 10 5 EFBERN Cc1c(CC(=O)N[C@@H]2CCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000571226821 478548183 /nfs/dbraw/zinc/54/81/83/478548183.db2.gz SXQXQDHSCGTNLV-MRXNPFEDSA-N 0 0 325.368 2.832 10 5 EFBERN COC1CC(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597861436 478548338 /nfs/dbraw/zinc/54/83/38/478548338.db2.gz MBGCSJNBEKRILW-UHFFFAOYSA-N 0 0 344.314 2.741 10 5 EFBERN CCC(C)(C)[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594814636 478549773 /nfs/dbraw/zinc/54/97/73/478549773.db2.gz WXOTUAIMUDWYMI-GFCCVEGCSA-N 0 0 328.434 2.881 10 5 EFBERN COc1cc(C(=O)NC[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000597864372 478549926 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Cc1cc(S(=O)(=O)NCC[C@@]2(C)CC2(F)F)ccc1[N+](=O)[O-] ZINC000594857422 478563405 /nfs/dbraw/zinc/56/34/05/478563405.db2.gz LODQSXWFVIFFIU-LBPRGKRZSA-N 0 0 334.344 2.617 10 5 EFBERN CC[C@@](C)(NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594861002 478564194 /nfs/dbraw/zinc/56/41/94/478564194.db2.gz GVMGSKILMRPNCB-OAHLLOKOSA-N 0 0 326.418 2.635 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594858747 478564209 /nfs/dbraw/zinc/56/42/09/478564209.db2.gz WGPNGEZCZIOGQD-LBPRGKRZSA-N 0 0 330.381 2.664 10 5 EFBERN O=[N+]([O-])c1ccc(OCCC[S@@](=O)Cc2cncs2)cc1 ZINC000600919327 478565980 /nfs/dbraw/zinc/56/59/80/478565980.db2.gz WQEMJBHSBHOHIX-OAQYLSRUSA-N 0 0 326.399 2.769 10 5 EFBERN CC[C@H](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC ZINC000571331513 478572697 /nfs/dbraw/zinc/57/26/97/478572697.db2.gz OWKLVKKUUBAORD-WCBMZHEXSA-N 0 0 328.390 2.672 10 5 EFBERN Cc1cc(F)ccc1C[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597919001 478574170 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EFBERN Cc1cccc(NC(=O)CN(C)c2ncc(F)cc2[N+](=O)[O-])c1C ZINC000601100349 478655730 /nfs/dbraw/zinc/65/57/30/478655730.db2.gz RPORWZCHLONEOO-UHFFFAOYSA-N 0 0 332.335 2.821 10 5 EFBERN CCOc1ncccc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601103221 478656270 /nfs/dbraw/zinc/65/62/70/478656270.db2.gz QAYOENGTKHRNKE-UHFFFAOYSA-N 0 0 345.281 2.753 10 5 EFBERN Cc1ccccc1CN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601101530 478656358 /nfs/dbraw/zinc/65/63/58/478656358.db2.gz YSBIMYSRTRJHQP-UHFFFAOYSA-N 0 0 330.363 2.760 10 5 EFBERN CCc1ccc([C@H](NC[C@@H]2CCC(=O)N2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595090993 478656887 /nfs/dbraw/zinc/65/68/87/478656887.db2.gz QNTCEXNVNBTKBW-SCLBCKFNSA-N 0 0 343.383 2.708 10 5 EFBERN C[C@@H]1CN(c2ccc(Nc3ncc(F)cc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000601105079 478657861 /nfs/dbraw/zinc/65/78/61/478657861.db2.gz UGAPZBKXWKSPNZ-GHMZBOCLSA-N 0 0 347.350 2.881 10 5 EFBERN Cn1ncc2c1CCC[C@@H]2Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104361 478658609 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Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1C1CCOCC1 ZINC000601137306 478679945 /nfs/dbraw/zinc/67/99/45/478679945.db2.gz ARGRTCAULUBJII-JTQLQIEISA-N 0 0 348.325 2.743 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000595168284 478680830 /nfs/dbraw/zinc/68/08/30/478680830.db2.gz VMEWNWMFKJOZJU-KCQAQPDRSA-N 0 0 345.399 2.648 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000595166517 478680883 /nfs/dbraw/zinc/68/08/83/478680883.db2.gz QWGOCUQWURIIAZ-MELADBBJSA-N 0 0 345.399 2.703 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCN(c3nccs3)CC1)CCCC2 ZINC000591894638 478680804 /nfs/dbraw/zinc/68/08/04/478680804.db2.gz VCZFZJRLDDAVKS-UHFFFAOYSA-N 0 0 345.428 2.652 10 5 EFBERN CCOC(=O)[C@H](CC)Sc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000564012286 478681579 /nfs/dbraw/zinc/68/15/79/478681579.db2.gz MPAVZKKOOZZOSM-NSHDSACASA-N 0 0 327.358 2.815 10 5 EFBERN CCCC(=O)NC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591896705 478682678 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EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H](OCC2CC2)C1 ZINC000601146840 478687920 /nfs/dbraw/zinc/68/79/20/478687920.db2.gz DKFNXBKWFFIMLW-SNVBAGLBSA-N 0 0 348.325 2.743 10 5 EFBERN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595200353 478687928 /nfs/dbraw/zinc/68/79/28/478687928.db2.gz VTDYECGQDROUAH-VOMCLLRMSA-N 0 0 337.351 2.566 10 5 EFBERN C[C@](CO)(NCc1ccc(C(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000601148935 478689960 /nfs/dbraw/zinc/68/99/60/478689960.db2.gz HRHRIOJIVGBFFB-MRXNPFEDSA-N 0 0 337.326 2.925 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](O)C1CCCCC1 ZINC000571856084 478690365 /nfs/dbraw/zinc/69/03/65/478690365.db2.gz SNCNVFKBABVWFH-QGZVFWFLSA-N 0 0 345.399 2.676 10 5 EFBERN C[C@](CO)(NCc1ccnn1CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601150619 478691070 /nfs/dbraw/zinc/69/10/70/478691070.db2.gz ZSTWILMRLFLVEM-GOSISDBHSA-N 0 0 344.415 2.589 10 5 EFBERN Nc1ccc2c(c1)CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000595224698 478692972 /nfs/dbraw/zinc/69/29/72/478692972.db2.gz SJSZIUTVQRCYPG-UHFFFAOYSA-N 0 0 338.367 2.907 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000598184291 478695254 /nfs/dbraw/zinc/69/52/54/478695254.db2.gz FZTRTNYMMYOBBI-VXGBXAGGSA-N 0 0 334.416 2.981 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000598189688 478696947 /nfs/dbraw/zinc/69/69/47/478696947.db2.gz QQCCAHCQAFUYPB-CXUGXGMPSA-N 0 0 334.416 2.639 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[C@H]1O ZINC000598191467 478698636 /nfs/dbraw/zinc/69/86/36/478698636.db2.gz XVLCOEDWKSRMEV-WOFXILAISA-N 0 0 346.305 2.703 10 5 EFBERN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601161965 478698727 /nfs/dbraw/zinc/69/87/27/478698727.db2.gz DKDVPELDZHZSSC-LBPRGKRZSA-N 0 0 346.362 2.785 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1NCc1ccncc1OC[C@@H]1CCOC1 ZINC000601166246 478701007 /nfs/dbraw/zinc/70/10/07/478701007.db2.gz MLPUPXZVUPDNQP-LLVKDONJSA-N 0 0 348.334 2.551 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1COc2ccccc21 ZINC000601167015 478701710 /nfs/dbraw/zinc/70/17/10/478701710.db2.gz XHMROJFVZCMFRA-MRVPVSSYSA-N 0 0 342.277 2.935 10 5 EFBERN CCOC1(C)CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601168498 478701963 /nfs/dbraw/zinc/70/19/63/478701963.db2.gz ZDQGNWSDJVCDEB-UHFFFAOYSA-N 0 0 336.314 2.743 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(c3ncccc3F)C2)n1 ZINC000542864070 478702028 /nfs/dbraw/zinc/70/20/28/478702028.db2.gz OFNLGZDVKRWCEN-LBPRGKRZSA-N 0 0 331.351 2.832 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCO[C@H](C(F)(F)F)C1)CCCC2 ZINC000591915926 478702758 /nfs/dbraw/zinc/70/27/58/478702758.db2.gz SQDAGDJIYXDMHK-LBPRGKRZSA-N 0 0 331.294 2.636 10 5 EFBERN CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H](CO)CC(C)(C)C ZINC000601171945 478704079 /nfs/dbraw/zinc/70/40/79/478704079.db2.gz SNEKJUYNLVXJPG-MRVPVSSYSA-N 0 0 338.330 2.580 10 5 EFBERN CCOC(=O)c1cnc2c(cccc2[N+](=O)[O-])c1N1CC[C@H](F)C1 ZINC000601171815 478704102 /nfs/dbraw/zinc/70/41/02/478704102.db2.gz QLCVFEXMLDSBDU-JTQLQIEISA-N 0 0 333.319 2.868 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000582851349 478704192 /nfs/dbraw/zinc/70/41/92/478704192.db2.gz MSRXWFGEIBLIGY-KZULUSFZSA-N 0 0 346.358 2.905 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598208764 478705555 /nfs/dbraw/zinc/70/55/55/478705555.db2.gz OSXSKJPKFFCKFV-HEHGZKQESA-N 0 0 340.383 2.947 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598209164 478705622 /nfs/dbraw/zinc/70/56/22/478705622.db2.gz RWODRGCTCIFURN-SDDRHHMPSA-N 0 0 332.356 2.532 10 5 EFBERN Cc1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)nc1C ZINC000601174159 478706248 /nfs/dbraw/zinc/70/62/48/478706248.db2.gz QNASZQZYZZIXDW-UHFFFAOYSA-N 0 0 329.282 2.971 10 5 EFBERN C[C@H]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)O1 ZINC000598211486 478706418 /nfs/dbraw/zinc/70/64/18/478706418.db2.gz FRAOTFLFJQVZHT-BBRMVZONSA-N 0 0 335.404 2.861 10 5 EFBERN CN(C[C@H]1CCCO1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000582884129 478708423 /nfs/dbraw/zinc/70/84/23/478708423.db2.gz CCEXURBRQSTTPL-CYBMUJFWSA-N 0 0 336.391 2.932 10 5 EFBERN C[C@@]1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1(F)F ZINC000598218665 478710613 /nfs/dbraw/zinc/71/06/13/478710613.db2.gz NTDPWDCWXCGPON-AWEZNQCLSA-N 0 0 336.298 2.556 10 5 EFBERN COc1ccnc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1F ZINC000598220076 478711541 /nfs/dbraw/zinc/71/15/41/478711541.db2.gz MXBBOHZXPJSRRB-UHFFFAOYSA-N 0 0 347.346 2.993 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000601186631 478713404 /nfs/dbraw/zinc/71/34/04/478713404.db2.gz SIUVGLGYNOQINY-UHFFFAOYSA-N 0 0 341.795 2.565 10 5 EFBERN COc1cccc([C@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000598224268 478714468 /nfs/dbraw/zinc/71/44/68/478714468.db2.gz JNEUCNKXUUVPIW-GOSISDBHSA-N 0 0 341.367 2.802 10 5 EFBERN C[C@@]12COC[C@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000598225268 478715543 /nfs/dbraw/zinc/71/55/43/478715543.db2.gz BMWXLYGGQPLFHO-BDJLRTHQSA-N 0 0 332.381 2.918 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000598226987 478715586 /nfs/dbraw/zinc/71/55/86/478715586.db2.gz AJYTYVFCQJGWMW-INIZCTEOSA-N 0 0 345.330 2.651 10 5 EFBERN C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccccn1 ZINC000601191180 478715643 /nfs/dbraw/zinc/71/56/43/478715643.db2.gz JODMNSNHXCUFES-MRVPVSSYSA-N 0 0 329.282 2.958 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCc2cccnc21 ZINC000601191475 478715660 /nfs/dbraw/zinc/71/56/60/478715660.db2.gz KHHTXRISTOOSPL-SECBINFHSA-N 0 0 341.293 2.884 10 5 EFBERN CNC(=O)c1ccc(NC[C@@H]2C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000601192344 478715684 /nfs/dbraw/zinc/71/56/84/478715684.db2.gz WMCVWEQGUWTWNZ-KBPBESRZSA-N 0 0 326.356 2.565 10 5 EFBERN O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC000601192003 478716212 /nfs/dbraw/zinc/71/62/12/478716212.db2.gz OUHMYGNTZHBWED-SECBINFHSA-N 0 0 336.289 2.815 10 5 EFBERN CC(=O)N1CCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591938780 478717052 /nfs/dbraw/zinc/71/70/52/478717052.db2.gz LTNBRZQUCIGOIZ-CYBMUJFWSA-N 0 0 332.404 2.539 10 5 EFBERN CC(=O)N1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591938785 478717523 /nfs/dbraw/zinc/71/75/23/478717523.db2.gz LTNBRZQUCIGOIZ-ZDUSSCGKSA-N 0 0 332.404 2.539 10 5 EFBERN Cc1csc(CC2(O)CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000601194428 478717675 /nfs/dbraw/zinc/71/76/75/478717675.db2.gz IMRZHQJJBBJVPQ-UHFFFAOYSA-N 0 0 333.413 2.934 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595295894 478718784 /nfs/dbraw/zinc/71/87/84/478718784.db2.gz HCOIJJTXPVHQJD-MCIONIFRSA-N 0 0 349.456 2.850 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000601201352 478721538 /nfs/dbraw/zinc/72/15/38/478721538.db2.gz MKNRBGRLXPPNCB-SFYZADRCSA-N 0 0 336.339 2.821 10 5 EFBERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(=O)CC(C)(C)C1 ZINC000601201414 478721765 /nfs/dbraw/zinc/72/17/65/478721765.db2.gz NYVIBVIFOPEQLG-UHFFFAOYSA-N 0 0 334.298 2.543 10 5 EFBERN COC(=O)c1occc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598239732 478721928 /nfs/dbraw/zinc/72/19/28/478721928.db2.gz LWWPBADLNCSSCX-UHFFFAOYSA-N 0 0 346.339 2.568 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000598242118 478722563 /nfs/dbraw/zinc/72/25/63/478722563.db2.gz RQPCTDVGLULRPG-LRDDRELGSA-N 0 0 346.362 2.609 10 5 EFBERN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000598242845 478722985 /nfs/dbraw/zinc/72/29/85/478722985.db2.gz UVWXYTQJGXAOOF-NEPJUHHUSA-N 0 0 334.401 2.531 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000595308223 478724644 /nfs/dbraw/zinc/72/46/44/478724644.db2.gz GFAOQPBYMXUWCZ-UHFFFAOYSA-N 0 0 345.378 2.651 10 5 EFBERN COC(=O)[C@@H](C)CN(Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595308388 478725336 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0 0 333.388 2.642 10 5 EFBERN COc1ccc(CC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000564875676 478842769 /nfs/dbraw/zinc/84/27/69/478842769.db2.gz OJDYWHUJMCZBTM-SJLPKXTDSA-N 0 0 344.342 2.899 10 5 EFBERN COc1ccc(CC(=O)N[C@H]2C[C@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000564875677 478843259 /nfs/dbraw/zinc/84/32/59/478843259.db2.gz OJDYWHUJMCZBTM-WMZOPIPTSA-N 0 0 344.342 2.899 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](CCF)C2)c([N+](=O)[O-])s1 ZINC000601463925 478843615 /nfs/dbraw/zinc/84/36/15/478843615.db2.gz IVCZAJLTOUFYKS-JTQLQIEISA-N 0 0 336.410 2.725 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)N2CCc3nccnc3C2)cc1[N+](=O)[O-] ZINC000595542420 478844177 /nfs/dbraw/zinc/84/41/77/478844177.db2.gz FMXJEJIPCPVNGD-GFCCVEGCSA-N 0 0 341.371 2.522 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000595544200 478845225 /nfs/dbraw/zinc/84/52/25/478845225.db2.gz NEHDEBDXGHICEB-QEORTHHSSA-N 0 0 333.388 2.642 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCCC(F)(F)CC2)c([N+](=O)[O-])s1 ZINC000601474216 478847375 /nfs/dbraw/zinc/84/73/75/478847375.db2.gz NARLMOMDGIHDSP-UHFFFAOYSA-N 0 0 340.373 2.775 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)[C@H](C)c1ccccc1 ZINC000598479624 478848270 /nfs/dbraw/zinc/84/82/70/478848270.db2.gz UGIYQWNMUHPLHP-CXAGYDPISA-N 0 0 328.368 2.798 10 5 EFBERN O=C(N[C@H]1CCC[C@@H]1CCO)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601474909 478848428 /nfs/dbraw/zinc/84/84/28/478848428.db2.gz WJJYXTDIUWGZER-CJNGLKHVSA-N 0 0 332.400 2.684 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CCF)CC1 ZINC000601497890 478852646 /nfs/dbraw/zinc/85/26/46/478852646.db2.gz GNGCMZWOHJBPSG-UHFFFAOYSA-N 0 0 330.381 2.664 10 5 EFBERN Cc1noc(CN[C@@H](Cc2ccccc2)c2ncco2)c1[N+](=O)[O-] ZINC000595561666 478856040 /nfs/dbraw/zinc/85/60/40/478856040.db2.gz KVYNYYUMUVRMRE-ZDUSSCGKSA-N 0 0 328.328 2.953 10 5 EFBERN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000598491483 478857341 /nfs/dbraw/zinc/85/73/41/478857341.db2.gz NRUYKDXEPAWCPP-YOEHRIQHSA-N 0 0 334.372 2.755 10 5 EFBERN CC(C)[C@H]1N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592312385 478857684 /nfs/dbraw/zinc/85/76/84/478857684.db2.gz CHTOITHKJADNEO-OAHLLOKOSA-N 0 0 343.383 2.737 10 5 EFBERN C[N@H+](CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000505225282 478859640 /nfs/dbraw/zinc/85/96/40/478859640.db2.gz QRRUYBFGFJJBJX-UHFFFAOYSA-N 0 0 335.404 2.685 10 5 EFBERN CC(C)(C)OC(=O)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000598496233 478860366 /nfs/dbraw/zinc/86/03/66/478860366.db2.gz DIXPAALBVBNXKJ-UHFFFAOYSA-N 0 0 348.399 2.766 10 5 EFBERN COCc1sccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000601522110 478863325 /nfs/dbraw/zinc/86/33/25/478863325.db2.gz ZHMQXELWRUDELL-UHFFFAOYSA-N 0 0 348.380 2.706 10 5 EFBERN Cc1c(CNC(=O)c2cn3c(n2)C[C@H](C)CC3)cccc1[N+](=O)[O-] ZINC000601526591 478864423 /nfs/dbraw/zinc/86/44/23/478864423.db2.gz YLQSRQOQOYAGDO-LLVKDONJSA-N 0 0 328.372 2.612 10 5 EFBERN C[C@]1(CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000595574964 478864776 /nfs/dbraw/zinc/86/47/76/478864776.db2.gz RKRUNFDOSYOVPG-AWEZNQCLSA-N 0 0 327.331 2.872 10 5 EFBERN CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1 ZINC000598504729 478867004 /nfs/dbraw/zinc/86/70/04/478867004.db2.gz ODPBOWQLAXZXKR-UHFFFAOYSA-N 0 0 347.400 2.783 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CSC[C@@H]1CN(C)CCO1 ZINC000564957944 478868562 /nfs/dbraw/zinc/86/85/62/478868562.db2.gz IYUAPYFOIZHXOE-HNNXBMFYSA-N 0 0 340.445 2.946 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000598508465 478869716 /nfs/dbraw/zinc/86/97/16/478869716.db2.gz QPDQUGMFBCTORI-ZJUUUORDSA-N 0 0 332.278 2.777 10 5 EFBERN C[C@@]1(C2CCCCC2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000601541371 478871223 /nfs/dbraw/zinc/87/12/23/478871223.db2.gz VIDUPYJYDJHALE-HNNXBMFYSA-N 0 0 339.417 2.723 10 5 EFBERN O=C(CC1CSC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000601540094 478871476 /nfs/dbraw/zinc/87/14/76/478871476.db2.gz RMMWBNDNNSGDKZ-UHFFFAOYSA-N 0 0 334.319 2.983 10 5 EFBERN Cc1c(CNC(=O)N2CC3(CCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595587554 478872260 /nfs/dbraw/zinc/87/22/60/478872260.db2.gz IBBOABYTNPYPAP-GFCCVEGCSA-N 0 0 333.388 2.756 10 5 EFBERN Cc1c(CNC(=O)N2CCC(c3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000595587655 478872276 /nfs/dbraw/zinc/87/22/76/478872276.db2.gz JMSHTVFRGKHDSP-UHFFFAOYSA-N 0 0 344.371 2.980 10 5 EFBERN C[C@H](C(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598512424 478872449 /nfs/dbraw/zinc/87/24/49/478872449.db2.gz SEYBQXSHIZTPCN-GWCFXTLKSA-N 0 0 346.305 2.878 10 5 EFBERN CCc1ccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000598511465 478873023 /nfs/dbraw/zinc/87/30/23/478873023.db2.gz OXLVKNACFQLXTI-GFCCVEGCSA-N 0 0 346.305 2.951 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cccc2c1CCOC2 ZINC000601566512 478883399 /nfs/dbraw/zinc/88/33/99/478883399.db2.gz OACJZWPIBRHLPM-UHFFFAOYSA-N 0 0 341.367 2.667 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH]n(C)cc1C ZINC000598537749 478884540 /nfs/dbraw/zinc/88/45/40/478884540.db2.gz OSOXLRJEECAVGF-UHFFFAOYSA-N 0 0 334.401 2.813 10 5 EFBERN Cc1cn(C)nc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000598537927 478885023 /nfs/dbraw/zinc/88/50/23/478885023.db2.gz SOOFEFKTFYZJIB-UHFFFAOYSA-N 0 0 338.751 2.698 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598538708 478885559 /nfs/dbraw/zinc/88/55/59/478885559.db2.gz FVQKEIFQMSPBMA-SCLBCKFNSA-N 0 0 344.367 2.602 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598539304 478885661 /nfs/dbraw/zinc/88/56/61/478885661.db2.gz HCZPVYVIVWGULZ-FZKQIMNGSA-N 0 0 343.383 2.635 10 5 EFBERN C[C@H](O)[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598539306 478885694 /nfs/dbraw/zinc/88/56/94/478885694.db2.gz HCZPVYVIVWGULZ-UGSOOPFHSA-N 0 0 343.383 2.635 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000598540051 478886549 /nfs/dbraw/zinc/88/65/49/478886549.db2.gz LWWXGYOBNSKGBR-PXAZEXFGSA-N 0 0 344.367 2.845 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598539956 478887068 /nfs/dbraw/zinc/88/70/68/478887068.db2.gz NIMOJVIIQINDGH-FZKQIMNGSA-N 0 0 328.368 2.766 10 5 EFBERN C[C@@H]1COCC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601575992 478887748 /nfs/dbraw/zinc/88/77/48/478887748.db2.gz JCZPIUNRWZNJAN-KGLIPLIRSA-N 0 0 332.400 2.805 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cn(C3CCC3)nn2)n1 ZINC000592410575 478887984 /nfs/dbraw/zinc/88/79/84/478887984.db2.gz MTOUQOJYGRBZAO-UHFFFAOYSA-N 0 0 326.316 2.937 10 5 EFBERN Cc1c(-c2nc(Cc3nc(C4CC4)nn3C)no2)cccc1[N+](=O)[O-] ZINC000592414339 478888248 /nfs/dbraw/zinc/88/82/48/478888248.db2.gz INOCYYURHVJKBP-UHFFFAOYSA-N 0 0 340.343 2.550 10 5 EFBERN COc1cccc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)c1[N+](=O)[O-] ZINC000598547065 478888734 /nfs/dbraw/zinc/88/87/34/478888734.db2.gz WQDQRWJBGQJISW-HDICACEKSA-N 0 0 346.383 2.636 10 5 EFBERN Cc1ccc(-c2nc(Cc3nc(C4CC4)nn3C)no2)cc1[N+](=O)[O-] ZINC000592415014 478889370 /nfs/dbraw/zinc/88/93/70/478889370.db2.gz NGTXHCOLRRYMGS-UHFFFAOYSA-N 0 0 340.343 2.550 10 5 EFBERN O=C(N[C@H](c1ccncc1)C1(CO)CCC1)c1csc([N+](=O)[O-])c1 ZINC000598552206 478891181 /nfs/dbraw/zinc/89/11/81/478891181.db2.gz ZYKFHCGAXWNYEY-CQSZACIVSA-N 0 0 347.396 2.685 10 5 EFBERN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000572670117 478892575 /nfs/dbraw/zinc/89/25/75/478892575.db2.gz CQWMRNHTWHCHDK-SECBINFHSA-N 0 0 341.776 2.683 10 5 EFBERN C[C@@]1(C2CC2)CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000595617748 478892732 /nfs/dbraw/zinc/89/27/32/478892732.db2.gz JXJJGYJEXXWITB-KRWDZBQOSA-N 0 0 344.371 2.646 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000598561867 478894801 /nfs/dbraw/zinc/89/48/01/478894801.db2.gz BKKNCBMBXSKJSB-BONVTDFDSA-N 0 0 328.315 2.788 10 5 EFBERN C[C@H](C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000598562234 478896962 /nfs/dbraw/zinc/89/69/62/478896962.db2.gz CMKPKOMOQPOOFZ-OHUAYANFSA-N 0 0 342.342 2.969 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000598565939 478899855 /nfs/dbraw/zinc/89/98/55/478899855.db2.gz UFQYWPCIYSTLLN-BONVTDFDSA-N 0 0 328.315 2.788 10 5 EFBERN C[C@]1(C(F)F)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000598569672 478900597 /nfs/dbraw/zinc/90/05/97/478900597.db2.gz CEENTTLOCGBTAX-OAHLLOKOSA-N 0 0 339.298 2.572 10 5 EFBERN CSc1ccc(C(=O)N2CCO[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598570443 478902176 /nfs/dbraw/zinc/90/21/76/478902176.db2.gz WUXZVDKYBBFVGJ-CQSZACIVSA-N 0 0 346.355 2.813 10 5 EFBERN O=C(NCC[C@H]1CSc2ccccc2O1)c1cc([N+](=O)[O-])c[nH]1 ZINC000592461280 478902104 /nfs/dbraw/zinc/90/21/04/478902104.db2.gz PHTQJQDJTJQNRL-NSHDSACASA-N 0 0 333.369 2.596 10 5 EFBERN CNc1ccc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598571280 478902501 /nfs/dbraw/zinc/90/25/01/478902501.db2.gz MGKQKZKXBJUBBS-RFAUZJTJSA-N 0 0 343.330 2.521 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000598571673 478902575 /nfs/dbraw/zinc/90/25/75/478902575.db2.gz IXTCBIHBBJDEEN-ZDUSSCGKSA-N 0 0 334.706 2.744 10 5 EFBERN CC12CC(C1)CN2C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000598570097 478902672 /nfs/dbraw/zinc/90/26/72/478902672.db2.gz FHOTXPKCUISJAZ-UHFFFAOYSA-N 0 0 327.340 2.533 10 5 EFBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]1C(F)F ZINC000601605158 478903577 /nfs/dbraw/zinc/90/35/77/478903577.db2.gz WLIBTXBKQWEXLR-QMMMGPOBSA-N 0 0 335.104 2.837 10 5 EFBERN CSc1cccc(C(=O)N2CCO[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000598573632 478903665 /nfs/dbraw/zinc/90/36/65/478903665.db2.gz QPDZCCWUWKFIKW-CQSZACIVSA-N 0 0 346.355 2.813 10 5 EFBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]1C(F)F ZINC000601604522 478903903 /nfs/dbraw/zinc/90/39/03/478903903.db2.gz MXPHRWXBAOHQRK-SECBINFHSA-N 0 0 335.104 2.837 10 5 EFBERN CC(C)(C(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598575427 478904497 /nfs/dbraw/zinc/90/44/97/478904497.db2.gz VQWCEJAMSWVAGT-MRXNPFEDSA-N 0 0 342.342 2.755 10 5 EFBERN CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CCC1 ZINC000598576692 478906095 /nfs/dbraw/zinc/90/60/95/478906095.db2.gz HDISKWVSHKNBKW-LLVKDONJSA-N 0 0 338.360 2.676 10 5 EFBERN O=C(N[C@@H]1CC12CCOCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601617226 478908873 /nfs/dbraw/zinc/90/88/73/478908873.db2.gz JXQVIVJPNQEFIQ-OAHLLOKOSA-N 0 0 330.384 2.702 10 5 EFBERN COC(=O)c1ccnc(N[C@H](C)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000598585837 478912143 /nfs/dbraw/zinc/91/21/43/478912143.db2.gz LALBDXOIJXIQDG-SECBINFHSA-N 0 0 345.311 2.678 10 5 EFBERN COC(=O)c1ccnc(N(C)CCCc2ccccc2)c1[N+](=O)[O-] ZINC000598590553 478913916 /nfs/dbraw/zinc/91/39/16/478913916.db2.gz OLVTVSVSBMDSHK-UHFFFAOYSA-N 0 0 329.356 2.845 10 5 EFBERN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1csnn1 ZINC000601627276 478915554 /nfs/dbraw/zinc/91/55/54/478915554.db2.gz JWFXHZIHZIVUBW-JTQLQIEISA-N 0 0 332.385 2.745 10 5 EFBERN COC(=O)c1ccnc(N[C@@H](C)Cc2cccc(OC)c2)c1[N+](=O)[O-] ZINC000598595214 478918312 /nfs/dbraw/zinc/91/83/12/478918312.db2.gz GZLTXWGLANZUHG-NSHDSACASA-N 0 0 345.355 2.828 10 5 EFBERN CCC(C)(C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000601632407 478918429 /nfs/dbraw/zinc/91/84/29/478918429.db2.gz NPSFZXQSZFZFED-UHFFFAOYSA-N 0 0 349.435 2.648 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000595659783 478921451 /nfs/dbraw/zinc/92/14/51/478921451.db2.gz AKFAKVTUCGNUHZ-AWEZNQCLSA-N 0 0 330.331 2.584 10 5 EFBERN Cc1ccncc1CN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598611935 478925376 /nfs/dbraw/zinc/92/53/76/478925376.db2.gz WAXZIRHNOQEQJK-UHFFFAOYSA-N 0 0 349.412 2.736 10 5 EFBERN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595672885 478925660 /nfs/dbraw/zinc/92/56/60/478925660.db2.gz CNLOIFRBJCPHOB-KRWDZBQOSA-N 0 0 343.383 2.967 10 5 EFBERN Cc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccn2)c(C)c1[N+](=O)[O-] ZINC000598617033 478929006 /nfs/dbraw/zinc/92/90/06/478929006.db2.gz HCSMQMUUAAVXSN-GFCCVEGCSA-N 0 0 349.412 2.689 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000598621646 478929889 /nfs/dbraw/zinc/92/98/89/478929889.db2.gz WSXLNICIXRBCRK-QMMMGPOBSA-N 0 0 333.266 2.555 10 5 EFBERN CCO[C@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccccc1 ZINC000598620866 478930189 /nfs/dbraw/zinc/93/01/89/478930189.db2.gz GRRIHGCDDCRRND-CQSZACIVSA-N 0 0 345.355 2.966 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000601656637 478931107 /nfs/dbraw/zinc/93/11/07/478931107.db2.gz LZEGDRMHKBBUPG-OAHLLOKOSA-N 0 0 341.367 2.775 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601656612 478931209 /nfs/dbraw/zinc/93/12/09/478931209.db2.gz LVYFHNFZGCVJAR-MRXNPFEDSA-N 0 0 325.368 2.939 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2cccnc2)C1 ZINC000601656610 478931259 /nfs/dbraw/zinc/93/12/59/478931259.db2.gz LVYFHNFZGCVJAR-INIZCTEOSA-N 0 0 325.368 2.939 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598625704 478931185 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C[C@H](Cc1ccccc1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601782196 479002281 /nfs/dbraw/zinc/00/22/81/479002281.db2.gz WZCGTFXHOSTIEU-AUUYWEPGSA-N 0 0 342.395 2.797 10 5 EFBERN Cc1cc(C)cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601785052 479003490 /nfs/dbraw/zinc/00/34/90/479003490.db2.gz HOMXVEAUXKLHMN-SFHVURJKSA-N 0 0 328.368 2.849 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000601802621 479011081 /nfs/dbraw/zinc/01/10/81/479011081.db2.gz QIRSEUVQEVWZTK-LLVKDONJSA-N 0 0 346.355 2.570 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](C(F)F)CC1 ZINC000601805409 479012431 /nfs/dbraw/zinc/01/24/31/479012431.db2.gz XCLLEVZWJIFYAU-GFCCVEGCSA-N 0 0 348.733 2.673 10 5 EFBERN CC(C)(C(=O)Nc1ccc2c(n1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000598763232 479014372 /nfs/dbraw/zinc/01/43/72/479014372.db2.gz JMQOAQUPZBDXFN-UHFFFAOYSA-N 0 0 343.339 2.677 10 5 EFBERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592732432 479017638 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CCOC(=O)c1cc(C(=O)N2CC(CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000598778525 479021881 /nfs/dbraw/zinc/02/18/81/479021881.db2.gz KPHVOSQEIOCMMU-UHFFFAOYSA-N 0 0 332.356 2.644 10 5 EFBERN O=C(NCC[C@@H]1CC1(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000598779680 479023152 /nfs/dbraw/zinc/02/31/52/479023152.db2.gz CMNFYIDJKZJJEU-SNVBAGLBSA-N 0 0 336.298 2.556 10 5 EFBERN O=C(NCC[C@H]1CC1(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598781428 479023959 /nfs/dbraw/zinc/02/39/59/479023959.db2.gz IDSGGEQSIRDHNE-JTQLQIEISA-N 0 0 336.298 2.556 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC(CC2CC2)C1 ZINC000598781956 479024167 /nfs/dbraw/zinc/02/41/67/479024167.db2.gz SNBAOKJHYSVDKC-UHFFFAOYSA-N 0 0 341.367 2.780 10 5 EFBERN O=C(NCC[C@@H]1CC1(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598785587 479024930 /nfs/dbraw/zinc/02/49/30/479024930.db2.gz WVHNURCGQOWADM-MRVPVSSYSA-N 0 0 336.241 2.971 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCOC1(C)C ZINC000595839367 479026323 /nfs/dbraw/zinc/02/63/23/479026323.db2.gz DZHLKEWZRMZBKN-AWEZNQCLSA-N 0 0 335.404 2.594 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C2CCC2)cnn1C ZINC000598801674 479029169 /nfs/dbraw/zinc/02/91/69/479029169.db2.gz NLPHJRGGOXEELB-UHFFFAOYSA-N 0 0 330.344 2.857 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595848296 479030389 /nfs/dbraw/zinc/03/03/89/479030389.db2.gz DGRCCVYOGUNJCI-ZDUSSCGKSA-N 0 0 339.823 2.985 10 5 EFBERN COC(=O)C1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC2(CCC2)C1 ZINC000598803193 479030604 /nfs/dbraw/zinc/03/06/04/479030604.db2.gz MBMKBMGLVPBPRV-UHFFFAOYSA-N 0 0 332.356 2.965 10 5 EFBERN CN(CC(F)(F)F)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573282920 479031847 /nfs/dbraw/zinc/03/18/47/479031847.db2.gz UKQNDYHOQLZLSX-UHFFFAOYSA-N 0 0 344.293 2.822 10 5 EFBERN CO[C@H]1CC[C@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000598810181 479033372 /nfs/dbraw/zinc/03/33/72/479033372.db2.gz KLSSGCRPTGAEGP-FZMZJTMJSA-N 0 0 330.344 2.534 10 5 EFBERN COc1cc(CN[C@@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000595867081 479040805 /nfs/dbraw/zinc/04/08/05/479040805.db2.gz KPPPLOJJWISRQP-AWEZNQCLSA-N 0 0 338.310 2.705 10 5 EFBERN Cc1c(C(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000601852637 479041176 /nfs/dbraw/zinc/04/11/76/479041176.db2.gz QGEFOPQDYJISMK-GOSISDBHSA-N 0 0 346.358 2.766 10 5 EFBERN Cc1nc(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000598824861 479041917 /nfs/dbraw/zinc/04/19/17/479041917.db2.gz ZPSRBHCHQSDGCX-UONOGXRCSA-N 0 0 327.340 2.667 10 5 EFBERN CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000598823562 479041930 /nfs/dbraw/zinc/04/19/30/479041930.db2.gz GYZAGUVEKABCNX-YABSGUDNSA-N 0 0 345.380 2.574 10 5 EFBERN CCOC(=O)C12CC(C1)CN2Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000595870550 479042260 /nfs/dbraw/zinc/04/22/60/479042260.db2.gz JIUBUMRXPGYSQB-UHFFFAOYSA-N 0 0 334.372 2.521 10 5 EFBERN Cc1nn(CCC(=O)NC[C@H]2CC3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000584174786 479042324 /nfs/dbraw/zinc/04/23/24/479042324.db2.gz WCMWUSNCAAQFDO-YMAMQOFZSA-N 0 0 334.420 2.741 10 5 EFBERN C[C@@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCc2ccccc21 ZINC000592783179 479042424 /nfs/dbraw/zinc/04/24/24/479042424.db2.gz LQCYOODIGIWBHD-LJQANCHMSA-N 0 0 337.379 2.779 10 5 EFBERN CCc1nccn1[C@@H](C)CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000592793814 479045598 /nfs/dbraw/zinc/04/55/98/479045598.db2.gz ZPKFEMBUERFRNQ-LBPRGKRZSA-N 0 0 330.388 2.930 10 5 EFBERN Cc1cccc(C[C@]2(C)CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000601871885 479050757 /nfs/dbraw/zinc/05/07/57/479050757.db2.gz WLCOAKIYZJIOIR-KRWDZBQOSA-N 0 0 328.372 2.864 10 5 EFBERN Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000601871849 479050838 /nfs/dbraw/zinc/05/08/38/479050838.db2.gz WBWMZCMUJYABEM-QGZVFWFLSA-N 0 0 328.372 2.864 10 5 EFBERN CNc1c(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601878440 479053494 /nfs/dbraw/zinc/05/34/94/479053494.db2.gz YCKVYQBKQIBBRY-CABCVRRESA-N 0 0 333.388 2.714 10 5 EFBERN CNc1c(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000601878450 479054044 /nfs/dbraw/zinc/05/40/44/479054044.db2.gz YCKVYQBKQIBBRY-LSDHHAIUSA-N 0 0 333.388 2.714 10 5 EFBERN COc1ccc(CN2CCO[C@@H](C)[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000595892051 479054861 /nfs/dbraw/zinc/05/48/61/479054861.db2.gz KCIXNCPCCADFDY-ZANVPECISA-N 0 0 334.294 2.755 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000595893413 479056550 /nfs/dbraw/zinc/05/65/50/479056550.db2.gz XCBPQEWVYPKSPG-LBPRGKRZSA-N 0 0 334.294 2.757 10 5 EFBERN Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(N(C)C)nn1 ZINC000598852478 479056661 /nfs/dbraw/zinc/05/66/61/479056661.db2.gz CGEIGJIOCCEYQK-UHFFFAOYSA-N 0 0 349.778 2.973 10 5 EFBERN Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(N(C)C)nn1 ZINC000598857505 479057437 /nfs/dbraw/zinc/05/74/37/479057437.db2.gz XUJUNEAKBFGMQW-JTQLQIEISA-N 0 0 347.350 2.641 10 5 EFBERN CSc1cccc(C(=O)Nc2cc(C)nnc2N(C)C)c1[N+](=O)[O-] ZINC000598856330 479057557 /nfs/dbraw/zinc/05/75/57/479057557.db2.gz NKCADYXKSPHSGB-UHFFFAOYSA-N 0 0 347.400 2.733 10 5 EFBERN CC(C)(C)OC(=O)C1(NCc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000595896440 479057662 /nfs/dbraw/zinc/05/76/62/479057662.db2.gz OOQJMVLUYMQPRX-UHFFFAOYSA-N 0 0 342.417 2.637 10 5 EFBERN Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(N(C)C)nn1 ZINC000598856657 479057747 /nfs/dbraw/zinc/05/77/47/479057747.db2.gz NUECYKVNYDJSKR-NSHDSACASA-N 0 0 329.360 2.501 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC1CCC1 ZINC000601886250 479058915 /nfs/dbraw/zinc/05/89/15/479058915.db2.gz SZLFKGSWDUUNLE-UHFFFAOYSA-N 0 0 330.344 2.852 10 5 EFBERN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592826230 479061236 /nfs/dbraw/zinc/06/12/36/479061236.db2.gz PPHKMSDOCNWXFY-SNVBAGLBSA-N 0 0 328.315 2.965 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000598868202 479062607 /nfs/dbraw/zinc/06/26/07/479062607.db2.gz IHFIXAQDBLVWLA-LBPRGKRZSA-N 0 0 334.372 2.777 10 5 EFBERN O=C(NC1(c2cccc(F)c2)CCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000592829505 479062969 /nfs/dbraw/zinc/06/29/69/479062969.db2.gz OQYQYVDPNJLFCS-UHFFFAOYSA-N 0 0 331.303 2.644 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][nH]cc1C1CC1 ZINC000592828465 479063656 /nfs/dbraw/zinc/06/36/56/479063656.db2.gz QOXJYHOQYMNWAH-LBPRGKRZSA-N 0 0 328.372 2.825 10 5 EFBERN COc1cc(C(=O)N2CC3(CCC3)OC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000598870573 479064024 /nfs/dbraw/zinc/06/40/24/479064024.db2.gz OPEIOTZOYODZAZ-SNVBAGLBSA-N 0 0 338.335 2.526 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000592832307 479064877 /nfs/dbraw/zinc/06/48/77/479064877.db2.gz AFQWPJOKLDCQPQ-LBPRGKRZSA-N 0 0 347.371 2.784 10 5 EFBERN Cn1c2ccccc2nc1C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000546728441 479064986 /nfs/dbraw/zinc/06/49/86/479064986.db2.gz ZUROZZIBNNZVQL-UHFFFAOYSA-N 0 0 339.355 2.542 10 5 EFBERN COC(=O)[C@H](CC(C)(C)C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592836363 479067617 /nfs/dbraw/zinc/06/76/17/479067617.db2.gz SVGGNQCAHXJACK-AWEZNQCLSA-N 0 0 347.371 2.784 10 5 EFBERN COC(=O)c1cc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cs1 ZINC000573444693 479068815 /nfs/dbraw/zinc/06/88/15/479068815.db2.gz OXYHKBRUHSWVMF-UHFFFAOYSA-N 0 0 348.380 2.532 10 5 EFBERN CCOC(=O)C1CCC(SCCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000601914603 479069679 /nfs/dbraw/zinc/06/96/79/479069679.db2.gz VZCCYDWHNWCNSI-UHFFFAOYSA-N 0 0 341.433 2.955 10 5 EFBERN C[C@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)c1ccnn1C ZINC000598879868 479070528 /nfs/dbraw/zinc/07/05/28/479070528.db2.gz BQFVUVARYGQWOS-LBPRGKRZSA-N 0 0 328.372 2.801 10 5 EFBERN Cc1cc(COCC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000598880607 479071237 /nfs/dbraw/zinc/07/12/37/479071237.db2.gz IXMUHNDWFNHOLW-UHFFFAOYSA-N 0 0 345.355 2.777 10 5 EFBERN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000546787363 479071911 /nfs/dbraw/zinc/07/19/11/479071911.db2.gz LCVNGBPGCXNQGE-NSHDSACASA-N 0 0 343.339 2.594 10 5 EFBERN Cc1ccnc([C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000565726131 479072493 /nfs/dbraw/zinc/07/24/93/479072493.db2.gz KYIIIUDGNMHDRT-CQSZACIVSA-N 0 0 341.367 2.693 10 5 EFBERN CCCC[C@](C)(CO)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592852816 479073283 /nfs/dbraw/zinc/07/32/83/479073283.db2.gz IUOHXFJKDAHJGX-QGZVFWFLSA-N 0 0 336.388 2.615 10 5 EFBERN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595920962 479073583 /nfs/dbraw/zinc/07/35/83/479073583.db2.gz VOKDMBLHKIMNSY-ABAIWWIYSA-N 0 0 330.331 2.718 10 5 EFBERN O=[N+]([O-])c1ccccc1CN1c2ccccc2N(C2CC2)S1(=O)=O ZINC000601926255 479074540 /nfs/dbraw/zinc/07/45/40/479074540.db2.gz XHYJJYAOLPSQSJ-UHFFFAOYSA-N 0 0 345.380 2.829 10 5 EFBERN Cc1c(CC(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000598889942 479075323 /nfs/dbraw/zinc/07/53/23/479075323.db2.gz FQIPUSOFDBPJDT-HZMBPMFUSA-N 0 0 346.305 2.624 10 5 EFBERN Cc1ccc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000598889993 479075349 /nfs/dbraw/zinc/07/53/49/479075349.db2.gz HAITXHRKVTYMJC-CABZTGNLSA-N 0 0 332.278 2.695 10 5 EFBERN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595921669 479076007 /nfs/dbraw/zinc/07/60/07/479076007.db2.gz YKHHQQYVTUGEIC-NHYWBVRUSA-N 0 0 330.331 2.718 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(F)F)C2CCCCC2)n1 ZINC000598891907 479076354 /nfs/dbraw/zinc/07/63/54/479076354.db2.gz HCGMJLYDMUJOSJ-LLVKDONJSA-N 0 0 330.335 2.755 10 5 EFBERN Cn1nccc1CCNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000601928239 479076510 /nfs/dbraw/zinc/07/65/10/479076510.db2.gz YRJWKJQHQFZZAI-UHFFFAOYSA-N 0 0 325.166 2.745 10 5 EFBERN C[C@H]1CCCCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897227 479078469 /nfs/dbraw/zinc/07/84/69/479078469.db2.gz BFTYRDYMUUNFRJ-LBPRGKRZSA-N 0 0 334.376 2.507 10 5 EFBERN CC[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)OC ZINC000592863060 479078543 /nfs/dbraw/zinc/07/85/43/479078543.db2.gz BLQKNAWVEXQCQU-VIFPVBQESA-N 0 0 336.369 2.739 10 5 EFBERN CC[C@@H]1CCCCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598898978 479079666 /nfs/dbraw/zinc/07/96/66/479079666.db2.gz XELZMAWPEUKQRM-CQSZACIVSA-N 0 0 348.403 2.898 10 5 EFBERN CCC(C)(C)[C@H](C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598905139 479080884 /nfs/dbraw/zinc/08/08/84/479080884.db2.gz ALXOYPHLQQQKTR-NSHDSACASA-N 0 0 336.392 2.657 10 5 EFBERN CC(C)(C)C1CC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598902986 479081194 /nfs/dbraw/zinc/08/11/94/479081194.db2.gz MQQZPSVIVZRGFS-UHFFFAOYSA-N 0 0 348.403 2.657 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598908305 479082788 /nfs/dbraw/zinc/08/27/88/479082788.db2.gz UEKADFRTGOISGP-UPJWGTAASA-N 0 0 348.403 2.609 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598908295 479082825 /nfs/dbraw/zinc/08/28/25/479082825.db2.gz UEKADFRTGOISGP-FRRDWIJNSA-N 0 0 348.403 2.609 10 5 EFBERN CCOC1CC(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000514887512 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/nfs/dbraw/zinc/15/18/63/479151863.db2.gz CXXJLGMATCAMPC-JTQLQIEISA-N 0 0 328.674 2.982 10 5 EFBERN C[C@@H]1OCC[C@@]12CN(c1ccc3cnccc3c1[N+](=O)[O-])CCO2 ZINC000599077677 479152822 /nfs/dbraw/zinc/15/28/22/479152822.db2.gz HAGORQDQVZZJLI-YVEFUNNKSA-N 0 0 329.356 2.527 10 5 EFBERN C[C@H]1OCC[C@@]12CN(c1ccc3cnccc3c1[N+](=O)[O-])CCO2 ZINC000599077670 479152847 /nfs/dbraw/zinc/15/28/47/479152847.db2.gz HAGORQDQVZZJLI-SJKOYZFVSA-N 0 0 329.356 2.527 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@]2(C)CCOC2)ccc1[N+](=O)[O-] ZINC000596126270 479153196 /nfs/dbraw/zinc/15/31/96/479153196.db2.gz LPPLBOUFSNTPNR-CQSZACIVSA-N 0 0 328.752 2.873 10 5 EFBERN CC1(C)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC[S@]1=O ZINC000599082313 479153193 /nfs/dbraw/zinc/15/31/93/479153193.db2.gz BELSLSKZUQKVOA-HSZRJFAPSA-N 0 0 333.413 2.880 10 5 EFBERN C[C@@H]1CN(CCN(C)c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599082973 479154257 /nfs/dbraw/zinc/15/42/57/479154257.db2.gz ZXUGESJIAWDCTF-OKILXGFUSA-N 0 0 344.415 2.688 10 5 EFBERN COc1cc(NCCOC[C@@H]2CCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596128730 479154716 /nfs/dbraw/zinc/15/47/16/479154716.db2.gz KNMHRHSROAPTFN-JTQLQIEISA-N 0 0 330.768 2.864 10 5 EFBERN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000593068890 479156370 /nfs/dbraw/zinc/15/63/70/479156370.db2.gz QEDGUUVOUDZDJU-GFCCVEGCSA-N 0 0 341.795 2.688 10 5 EFBERN COc1cc(N[C@H]2CCC[C@H](C(N)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596134150 479156387 /nfs/dbraw/zinc/15/63/87/479156387.db2.gz LVWUQYNFIGUIKN-IUCAKERBSA-N 0 0 327.768 2.713 10 5 EFBERN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000599087609 479156504 /nfs/dbraw/zinc/15/65/04/479156504.db2.gz LDSDGEYYLKIXQU-QMTHXVAHSA-N 0 0 341.289 2.893 10 5 EFBERN CCn1nnc(C)c1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000599088553 479156558 /nfs/dbraw/zinc/15/65/58/479156558.db2.gz FXOLDIKKSUCZDZ-UHFFFAOYSA-N 0 0 325.756 2.789 10 5 EFBERN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593070165 479157041 /nfs/dbraw/zinc/15/70/41/479157041.db2.gz UTAJPZBJLAJRNO-GFCCVEGCSA-N 0 0 341.795 2.688 10 5 EFBERN COC[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596135693 479157654 /nfs/dbraw/zinc/15/76/54/479157654.db2.gz ZNCAIPUIXUMYHA-VIFPVBQESA-N 0 0 328.752 2.508 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H](C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000596135012 479158004 /nfs/dbraw/zinc/15/80/04/479158004.db2.gz BYUKZSWTZUCWMO-RKDXNWHRSA-N 0 0 330.768 2.854 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H]2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000596136072 479158029 /nfs/dbraw/zinc/15/80/29/479158029.db2.gz GRGFKOXKWRYNDP-VHSXEESVSA-N 0 0 342.779 2.998 10 5 EFBERN CCC1(O)CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596138548 479159056 /nfs/dbraw/zinc/15/90/56/479159056.db2.gz LTKDGDLVPZXMDI-UHFFFAOYSA-N 0 0 342.779 2.776 10 5 EFBERN CCO[C@@H](C)c1nc(CN(C)c2cc[nH]c(=O)c2[N+](=O)[O-])cs1 ZINC000596139017 479159228 /nfs/dbraw/zinc/15/92/28/479159228.db2.gz QTIYOACDJVCAQB-VIFPVBQESA-N 0 0 338.389 2.886 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@@H](C)CC[S@](C)=O)ccc1[N+](=O)[O-] ZINC000596143088 479161438 /nfs/dbraw/zinc/16/14/38/479161438.db2.gz WRVQEPWAEIGLLE-ZCAPAMDOSA-N 0 0 348.808 2.604 10 5 EFBERN COc1ccc(CC(=O)N2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000584521866 479163432 /nfs/dbraw/zinc/16/34/32/479163432.db2.gz IBWFUNYNDNZZCH-HNNXBMFYSA-N 0 0 348.399 2.564 10 5 EFBERN Cn1cc([C@H]2C[C@@H](Nc3ncc([N+](=O)[O-])cc3Cl)CCO2)cn1 ZINC000599109679 479163539 /nfs/dbraw/zinc/16/35/39/479163539.db2.gz XMOFSCMTEZVTHG-GXFFZTMASA-N 0 0 337.767 2.709 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000599108963 479163547 /nfs/dbraw/zinc/16/35/47/479163547.db2.gz XECTXOBCDNQBOT-ZYHUDNBSSA-N 0 0 335.385 2.521 10 5 EFBERN Cc1nc(NC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000593087307 479164886 /nfs/dbraw/zinc/16/48/86/479164886.db2.gz PEWHUDXUZPFBMY-NEPJUHHUSA-N 0 0 349.387 2.995 10 5 EFBERN Cc1cn2c(n1)C[C@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000599113256 479165083 /nfs/dbraw/zinc/16/50/83/479165083.db2.gz NBBDPYDDXCUTFA-GFCCVEGCSA-N 0 0 325.328 2.880 10 5 EFBERN COc1cc(NCCCNC(=O)C2CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596150324 479165102 /nfs/dbraw/zinc/16/51/02/479165102.db2.gz JDNNTJKFRFTKMK-UHFFFAOYSA-N 0 0 341.795 2.975 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(-c3ccn(C4CCOCC4)n3)n2)c1 ZINC000599115992 479165771 /nfs/dbraw/zinc/16/57/71/479165771.db2.gz REXRVAVGMSBEBN-UHFFFAOYSA-N 0 0 341.327 2.860 10 5 EFBERN CN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596149703 479165770 /nfs/dbraw/zinc/16/57/70/479165770.db2.gz ZOSILIANJZQCTP-UHFFFAOYSA-N 0 0 346.412 2.665 10 5 EFBERN CC(C)NC(=O)c1ccc(NCC[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000599116720 479166673 /nfs/dbraw/zinc/16/66/73/479166673.db2.gz LMBJMQHOBIBZGC-ZDUSSCGKSA-N 0 0 335.404 2.962 10 5 EFBERN COc1cc(Nc2ccn(CC(F)F)n2)c(Cl)cc1[N+](=O)[O-] ZINC000596152574 479166707 /nfs/dbraw/zinc/16/67/07/479166707.db2.gz YTPHTDRXWFSDFQ-UHFFFAOYSA-N 0 0 332.694 2.884 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2COc3cccc(C)c3C2)n1 ZINC000599122909 479169503 /nfs/dbraw/zinc/16/95/03/479169503.db2.gz JBFHYNIGDGUSLF-LLVKDONJSA-N 0 0 343.339 2.500 10 5 EFBERN COC(=O)c1cc(C)nc(S[C@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000599126283 479169870 /nfs/dbraw/zinc/16/98/70/479169870.db2.gz ZOFOHRKQEROUIE-SECBINFHSA-N 0 0 326.374 2.744 10 5 EFBERN COc1ccccc1N1CC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596164537 479174039 /nfs/dbraw/zinc/17/40/39/479174039.db2.gz ZZUNZTGXOXRBAR-LLVKDONJSA-N 0 0 348.790 2.765 10 5 EFBERN COc1cc(C(=O)N2CC(CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000610744853 479174780 /nfs/dbraw/zinc/17/47/80/479174780.db2.gz JUZRNFBLRYCVKC-UHFFFAOYSA-N 0 0 348.277 2.636 10 5 EFBERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596167115 479175786 /nfs/dbraw/zinc/17/57/86/479175786.db2.gz DHSAKHDBJFWMHM-PIGZYNQJSA-N 0 0 341.367 2.522 10 5 EFBERN Cc1ccnc(NCC2(OCCO)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000599137918 479175863 /nfs/dbraw/zinc/17/58/63/479175863.db2.gz DYKPWCJTXVJWCK-UHFFFAOYSA-N 0 0 345.346 2.667 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])N1CC(CC(F)(F)F)C1 ZINC000610750073 479175829 /nfs/dbraw/zinc/17/58/29/479175829.db2.gz HMTGIAORXYFLFF-UHFFFAOYSA-N 0 0 331.294 2.731 10 5 EFBERN C[C@@H](NC(=O)N1CCC[C@@](O)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596168984 479177184 /nfs/dbraw/zinc/17/71/84/479177184.db2.gz UYPRVVLWOPGEBB-PXAZEXFGSA-N 0 0 333.388 2.602 10 5 EFBERN C[C@@H](NC(=O)N1CCC[C@](O)(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596168986 479177448 /nfs/dbraw/zinc/17/74/48/479177448.db2.gz UYPRVVLWOPGEBB-SJKOYZFVSA-N 0 0 333.388 2.602 10 5 EFBERN CCOc1cccc(CCNC(=O)c2ccc(CC)c([N+](=O)[O-])c2)n1 ZINC000610760385 479179155 /nfs/dbraw/zinc/17/91/55/479179155.db2.gz DQAXCUWVJZELHR-UHFFFAOYSA-N 0 0 343.383 2.923 10 5 EFBERN CCOc1cccc(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000610760386 479179659 /nfs/dbraw/zinc/17/96/59/479179659.db2.gz DWBYRNJUYWLSLB-UHFFFAOYSA-N 0 0 333.319 2.500 10 5 EFBERN Cc1cc([C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CCO2)ccc1F ZINC000596176191 479181634 /nfs/dbraw/zinc/18/16/34/479181634.db2.gz ALPQUSJFDBLVIV-AWEZNQCLSA-N 0 0 333.319 2.721 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593115216 479181888 /nfs/dbraw/zinc/18/18/88/479181888.db2.gz AMUDVZIJJFZSLB-QMTHXVAHSA-N 0 0 325.315 2.653 10 5 EFBERN COc1ccccc1C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610771413 479182745 /nfs/dbraw/zinc/18/27/45/479182745.db2.gz AOHKADICNCRHOQ-UHFFFAOYSA-N 0 0 329.356 2.706 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593115279 479183361 /nfs/dbraw/zinc/18/33/61/479183361.db2.gz CDGRJEKZXLOFDC-CQSZACIVSA-N 0 0 326.299 2.613 10 5 EFBERN CC[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCN1CC(F)F ZINC000596180239 479183663 /nfs/dbraw/zinc/18/36/63/479183663.db2.gz ZRCHLGOJABEMER-VIFPVBQESA-N 0 0 334.754 2.809 10 5 EFBERN C[C@@H](c1cccc(F)c1)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596180346 479183794 /nfs/dbraw/zinc/18/37/94/479183794.db2.gz XBXGOMKOAQNXRJ-LBPRGKRZSA-N 0 0 345.378 2.594 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593119348 479187015 /nfs/dbraw/zinc/18/70/15/479187015.db2.gz WFECGTQVGTXBOQ-QMTHXVAHSA-N 0 0 325.315 2.653 10 5 EFBERN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000599162439 479187788 /nfs/dbraw/zinc/18/77/88/479187788.db2.gz GOJDKJDKPTYGBR-ZWNOBZJWSA-N 0 0 326.324 2.504 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@]4(CC4(F)F)C3)n2)c1 ZINC000593118827 479187938 /nfs/dbraw/zinc/18/79/38/479187938.db2.gz YRGKRTDHDWLNSI-CQSZACIVSA-N 0 0 336.298 2.876 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596188250 479189329 /nfs/dbraw/zinc/18/93/29/479189329.db2.gz UTVKKTZOLQSAEL-DYVFJYSZSA-N 0 0 343.383 2.559 10 5 EFBERN COc1cc(NC[C@H]2CCCCS2(=O)=O)c(Cl)cc1[N+](=O)[O-] ZINC000596191552 479190142 /nfs/dbraw/zinc/19/01/42/479190142.db2.gz XPBGSAVRHJIZNC-SECBINFHSA-N 0 0 348.808 2.636 10 5 EFBERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000599166643 479191273 /nfs/dbraw/zinc/19/12/73/479191273.db2.gz SFZMJSFKLZVZMS-HZMBPMFUSA-N 0 0 326.324 2.504 10 5 EFBERN Cc1nc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)cs1 ZINC000596198110 479192878 /nfs/dbraw/zinc/19/28/78/479192878.db2.gz WXUJRWYRBIUUEY-CQSZACIVSA-N 0 0 332.385 2.800 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCO[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599168455 479193076 /nfs/dbraw/zinc/19/30/76/479193076.db2.gz DWODILWWPUSJSJ-VIFPVBQESA-N 0 0 346.742 2.600 10 5 EFBERN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599168493 479193194 /nfs/dbraw/zinc/19/31/94/479193194.db2.gz WXJFKEBAWVHDLJ-PSVOKBTDSA-N 0 0 331.397 2.633 10 5 EFBERN COC(=O)/C(Br)=C/c1ccc(OC)c(OC)c1[N+](=O)[O-] ZINC000584611941 479193232 /nfs/dbraw/zinc/19/32/32/479193232.db2.gz RHAQLOANOGZZMN-VURMDHGXSA-N 0 0 346.133 2.521 10 5 EFBERN O=C([O-])[C@]1(c2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000584633710 479195200 /nfs/dbraw/zinc/19/52/00/479195200.db2.gz IUZBIOIOEZUQAS-GOSISDBHSA-N 0 0 326.352 2.823 10 5 EFBERN O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[C@]3(CO)C2)c(C(F)(F)F)c1 ZINC000599173900 479195665 /nfs/dbraw/zinc/19/56/65/479195665.db2.gz JHOLAJIMFCPFJI-TVQRCGJNSA-N 0 0 331.294 2.607 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c2ncccc12 ZINC000599174359 479195707 /nfs/dbraw/zinc/19/57/07/479195707.db2.gz WNZZCSLEPHFMHN-WCBZVUCDSA-N 0 0 331.397 2.633 10 5 EFBERN O=C(NC[C@@]1(CO)CCc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000593132477 479195859 /nfs/dbraw/zinc/19/58/59/479195859.db2.gz SCGUELYNNMPTHP-GOSISDBHSA-N 0 0 341.367 2.593 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000599180245 479196815 /nfs/dbraw/zinc/19/68/15/479196815.db2.gz JZTSCUFWUXHJER-KOLCDFICSA-N 0 0 328.166 2.732 10 5 EFBERN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC1COC1 ZINC000599179557 479197170 /nfs/dbraw/zinc/19/71/70/479197170.db2.gz YGIHUCMUAKRUQN-UHFFFAOYSA-N 0 0 327.209 2.702 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)c(Br)c2c1CCO2 ZINC000584640193 479197517 /nfs/dbraw/zinc/19/75/17/479197517.db2.gz PARXUEFBLNXONM-UHFFFAOYSA-N 0 0 338.113 2.912 10 5 EFBERN COC(=O)c1c(Cl)c(NCCOC(F)(F)F)ccc1[N+](=O)[O-] ZINC000596206529 479198100 /nfs/dbraw/zinc/19/81/00/479198100.db2.gz MXDDDDOUYCFEQZ-UHFFFAOYSA-N 0 0 342.657 2.983 10 5 EFBERN CCOC(=O)Cc1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000599181213 479198258 /nfs/dbraw/zinc/19/82/58/479198258.db2.gz QMASXRFXJCATRE-XJKSGUPXSA-N 0 0 334.372 2.680 10 5 EFBERN O=[N+]([O-])c1cnn(Cc2nc(-c3ccccc3OC3CCC3)no2)c1 ZINC000599181580 479198275 /nfs/dbraw/zinc/19/82/75/479198275.db2.gz FNYMYOCNGSUHIH-UHFFFAOYSA-N 0 0 341.327 2.821 10 5 EFBERN C[C@@H]1CC(=O)N(C)c2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc21 ZINC000599181562 479198604 /nfs/dbraw/zinc/19/86/04/479198604.db2.gz FACPDGUWXAXPHT-SECBINFHSA-N 0 0 328.328 2.909 10 5 EFBERN CC(C)n1ncc2c1C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596206726 479199168 /nfs/dbraw/zinc/19/91/68/479199168.db2.gz IYNNHXKRVNJNLS-LLVKDONJSA-N 0 0 335.795 2.812 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000596207993 479199300 /nfs/dbraw/zinc/19/93/00/479199300.db2.gz UPSIAIZENIBVLW-DTWKUNHWSA-N 0 0 328.752 2.608 10 5 EFBERN NS(=O)(=O)c1ccc(NCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000596208184 479199429 /nfs/dbraw/zinc/19/94/29/479199429.db2.gz QGZOKGUKDVFPOG-UHFFFAOYSA-N 0 0 347.396 2.732 10 5 EFBERN Cc1cc(NC[C@@H]2CN(Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183748 479199922 /nfs/dbraw/zinc/19/99/22/479199922.db2.gz STQFCZQOXXTKMC-QGZVFWFLSA-N 0 0 342.399 2.611 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000596209976 479201279 /nfs/dbraw/zinc/20/12/79/479201279.db2.gz DEQSMXPKYGQPMC-GVDBMIGSSA-N 0 0 341.342 2.871 10 5 EFBERN C[C@@H]1C[C@@]2(CCO1)CN(c1c(Cl)cncc1[N+](=O)[O-])C[C@H](C)O2 ZINC000596215699 479203530 /nfs/dbraw/zinc/20/35/30/479203530.db2.gz GUZZEPWPNHXGLT-ZETOZRRWSA-N 0 0 341.795 2.806 10 5 EFBERN Cn1c2cc([N+](=O)[O-])c(N3CCCC4(CC4)CC3)cc2n(C)c1=O ZINC000599193387 479203974 /nfs/dbraw/zinc/20/39/74/479203974.db2.gz XOTUBRGTSDCDDE-UHFFFAOYSA-N 0 0 330.388 2.556 10 5 EFBERN COc1ccc(Cc2nc([C@H](C)c3cnccn3)no2)cc1[N+](=O)[O-] ZINC000599193937 479204491 /nfs/dbraw/zinc/20/44/91/479204491.db2.gz GIKGDZZTWXZCNS-SNVBAGLBSA-N 0 0 341.327 2.519 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599198396 479205879 /nfs/dbraw/zinc/20/58/79/479205879.db2.gz KIWFVSKXDGLRPK-BCUIYNNISA-N 0 0 335.404 2.591 10 5 EFBERN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1C1CCC1 ZINC000599198983 479205978 /nfs/dbraw/zinc/20/59/78/479205978.db2.gz DRBKMOCGUBENTF-HNNXBMFYSA-N 0 0 326.356 2.708 10 5 EFBERN CCOc1ccc(-c2nc([C@H](C)c3cnccn3)no2)cc1[N+](=O)[O-] ZINC000599195879 479206004 /nfs/dbraw/zinc/20/60/04/479206004.db2.gz ZLYOGEZWTVWMEN-SNVBAGLBSA-N 0 0 341.327 2.985 10 5 EFBERN CC(=O)NCC(C)(C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000593151334 479206523 /nfs/dbraw/zinc/20/65/23/479206523.db2.gz MOUIDTPXYWPORF-UHFFFAOYSA-N 0 0 335.404 2.993 10 5 EFBERN CCOC(=O)C1(COC)CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596219419 479206621 /nfs/dbraw/zinc/20/66/21/479206621.db2.gz SQMDJNMEXCZMHK-UHFFFAOYSA-N 0 0 342.417 2.761 10 5 EFBERN CC(=O)NC[C@H]1CCCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000599202494 479206907 /nfs/dbraw/zinc/20/69/07/479206907.db2.gz UDQNSQHSQSMASA-CYBMUJFWSA-N 0 0 328.372 2.638 10 5 EFBERN CO[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000599206335 479208216 /nfs/dbraw/zinc/20/82/16/479208216.db2.gz QZFFEGXSYRTTCU-XBXGTLAGSA-N 0 0 333.388 2.668 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000596220807 479208641 /nfs/dbraw/zinc/20/86/41/479208641.db2.gz BLMLWAVGMHRYSW-OAHLLOKOSA-N 0 0 342.779 2.776 10 5 EFBERN O=C1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCN1C1CCC1 ZINC000599206849 479209288 /nfs/dbraw/zinc/20/92/88/479209288.db2.gz SCGVIINZJZTTGZ-HNNXBMFYSA-N 0 0 326.356 2.708 10 5 EFBERN CC1CCC(C)(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596226053 479210088 /nfs/dbraw/zinc/21/00/88/479210088.db2.gz UBVBXVBDVOAOHF-UHFFFAOYSA-N 0 0 341.433 2.871 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[C@@H](C)F)c1 ZINC000593166302 479213552 /nfs/dbraw/zinc/21/35/52/479213552.db2.gz SLYCSLOYJMMOBD-LLVKDONJSA-N 0 0 334.351 2.626 10 5 EFBERN CC[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@@H](C)[S@@]1=O ZINC000596233611 479214406 /nfs/dbraw/zinc/21/44/06/479214406.db2.gz YLSXFMNQVARYRO-FQOARCPFSA-N 0 0 346.836 2.993 10 5 EFBERN CC(C)[C@@H]1C[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593167813 479214423 /nfs/dbraw/zinc/21/44/23/479214423.db2.gz JHPBNOFLMSCFGA-LRDDRELGSA-N 0 0 338.379 2.844 10 5 EFBERN CC(C)[C@H]1C[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593167812 479214478 /nfs/dbraw/zinc/21/44/78/479214478.db2.gz JHPBNOFLMSCFGA-BLLLJJGKSA-N 0 0 338.379 2.844 10 5 EFBERN COCC[C@H](COC)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596236048 479216732 /nfs/dbraw/zinc/21/67/32/479216732.db2.gz IGXCTDRIAZZGJS-SECBINFHSA-N 0 0 333.182 2.821 10 5 EFBERN O=C(NC[C@@H]1CCCC12CC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599243304 479218915 /nfs/dbraw/zinc/21/89/15/479218915.db2.gz JAFGDNKBYKLBQH-ZDUSSCGKSA-N 0 0 347.419 2.718 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000599242878 479219095 /nfs/dbraw/zinc/21/90/95/479219095.db2.gz BBXMBAABDQUEQB-UNEWFSDZSA-N 0 0 347.415 2.909 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC12CCSCC2 ZINC000593174577 479220457 /nfs/dbraw/zinc/22/04/57/479220457.db2.gz HKZBEDQFHGPVAC-GFCCVEGCSA-N 0 0 338.404 2.926 10 5 EFBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000593175543 479220714 /nfs/dbraw/zinc/22/07/14/479220714.db2.gz STPKDYCEFSMTGM-QGZVFWFLSA-N 0 0 344.346 2.746 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593176073 479221982 /nfs/dbraw/zinc/22/19/82/479221982.db2.gz REALGFHONYRHKX-LLVKDONJSA-N 0 0 344.346 2.745 10 5 EFBERN CCn1ccnc1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596251120 479223536 /nfs/dbraw/zinc/22/35/36/479223536.db2.gz NZSUYTHGCBFLCM-UHFFFAOYSA-N 0 0 338.751 2.863 10 5 EFBERN COC(=O)c1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC000610892744 479224970 /nfs/dbraw/zinc/22/49/70/479224970.db2.gz CXEDOQMEFVPZFP-UHFFFAOYSA-N 0 0 344.298 2.723 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593182400 479225205 /nfs/dbraw/zinc/22/52/05/479225205.db2.gz LYDXPQBEOXDGIG-ZDUSSCGKSA-N 0 0 327.287 2.866 10 5 EFBERN COC[C@](C)(O)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596258729 479227978 /nfs/dbraw/zinc/22/79/78/479227978.db2.gz NNBBGUJFRFLMOA-GFCCVEGCSA-N 0 0 333.182 2.557 10 5 EFBERN CCc1cc(CCCOc2ccc([N+](=O)[O-])c(C(=O)OC)c2)on1 ZINC000596259568 479228377 /nfs/dbraw/zinc/22/83/77/479228377.db2.gz WNHCBCFUPZIQPZ-UHFFFAOYSA-N 0 0 334.328 2.943 10 5 EFBERN CC[C@H](C)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000574161228 479232759 /nfs/dbraw/zinc/23/27/59/479232759.db2.gz YUHSYRGNOMYWLO-WFASDCNBSA-N 0 0 336.388 2.621 10 5 EFBERN C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000596275379 479233826 /nfs/dbraw/zinc/23/38/26/479233826.db2.gz RBTRXVFGBNTHCQ-MNOVXSKESA-N 0 0 347.337 2.505 10 5 EFBERN C[C@H](CCO)N(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000593205071 479238894 /nfs/dbraw/zinc/23/88/94/479238894.db2.gz UIDLSMDETNRVGK-MRVPVSSYSA-N 0 0 346.181 2.592 10 5 EFBERN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610929463 479236321 /nfs/dbraw/zinc/23/63/21/479236321.db2.gz LRIRJSWDGBESON-MUWHJKNJSA-N 0 0 325.674 2.799 10 5 EFBERN COc1cc(N2CCC[C@H](n3ccnn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596282059 479236653 /nfs/dbraw/zinc/23/66/53/479236653.db2.gz ZEXFZFBLKZUKDP-JTQLQIEISA-N 0 0 337.767 2.690 10 5 EFBERN COc1cc(N2CCC[C@@H](n3ccnn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596282061 479236823 /nfs/dbraw/zinc/23/68/23/479236823.db2.gz ZEXFZFBLKZUKDP-SNVBAGLBSA-N 0 0 337.767 2.690 10 5 EFBERN CO[C@@H](Cn1cnc2sc([N+](=O)[O-])cc2c1=O)C1CCCCC1 ZINC000596282041 479236985 /nfs/dbraw/zinc/23/69/85/479236985.db2.gz YRWOIEKUJRJIRY-LBPRGKRZSA-N 0 0 337.401 2.962 10 5 EFBERN NC(=O)c1cc(N2CCC3(CC2)C(F)(F)C3(F)F)ccc1[N+](=O)[O-] ZINC000596290091 479240040 /nfs/dbraw/zinc/24/00/40/479240040.db2.gz JKBPOYZAGPVZEZ-UHFFFAOYSA-N 0 0 347.268 2.565 10 5 EFBERN CC(NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)(C1CC1)C1CC1 ZINC000596289796 479240555 /nfs/dbraw/zinc/24/05/55/479240555.db2.gz VAYKWXRAMQNWKK-UHFFFAOYSA-N 0 0 333.388 2.852 10 5 EFBERN COC(=O)c1c(Cl)c(NCCC2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000596293991 479241434 /nfs/dbraw/zinc/24/14/34/479241434.db2.gz GNMGOANKHXRJEY-UHFFFAOYSA-N 0 0 342.779 2.999 10 5 EFBERN CCOc1c(F)cccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000556953630 479242434 /nfs/dbraw/zinc/24/24/34/479242434.db2.gz MYTQTRLNPMNKNM-UHFFFAOYSA-N 0 0 344.302 2.683 10 5 EFBERN NC(=O)c1cc(N[C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000596295668 479242454 /nfs/dbraw/zinc/24/24/54/479242454.db2.gz BTKGBJDAEAVHCC-BXKDBHETSA-N 0 0 347.293 2.606 10 5 EFBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC2(CCCCC2)O1 ZINC000596297016 479242586 /nfs/dbraw/zinc/24/25/86/479242586.db2.gz PSCOEPOJHCADRL-GFCCVEGCSA-N 0 0 333.388 2.622 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000593221217 479246185 /nfs/dbraw/zinc/24/61/85/479246185.db2.gz UCFGKBVKOGHPMV-IUODEOHRSA-N 0 0 348.399 2.859 10 5 EFBERN COc1cc(CCO)cc(OCc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000596305416 479246689 /nfs/dbraw/zinc/24/66/89/479246689.db2.gz UQMOUQFWPFQVJM-UHFFFAOYSA-N 0 0 339.294 2.995 10 5 EFBERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000593221274 479246972 /nfs/dbraw/zinc/24/69/72/479246972.db2.gz WWKZQIZJCOWGRZ-NXEZZACHSA-N 0 0 340.401 2.991 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N(CCOCCO)C1CCC1 ZINC000596311094 479249128 /nfs/dbraw/zinc/24/91/28/479249128.db2.gz DIOPUQCJCFFIFM-UHFFFAOYSA-N 0 0 331.372 2.511 10 5 EFBERN COC1CC(CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000596310527 479249653 /nfs/dbraw/zinc/24/96/53/479249653.db2.gz HSZQQWDEADCTEF-UHFFFAOYSA-N 0 0 333.388 2.714 10 5 EFBERN O=[N+]([O-])c1ccc(Nc2cccc(CN3CCCS3(=O)=O)c2)cc1 ZINC000596317010 479251428 /nfs/dbraw/zinc/25/14/28/479251428.db2.gz LMQGZQJECLGVNU-UHFFFAOYSA-N 0 0 347.396 2.874 10 5 EFBERN CO[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CCOC1 ZINC000596316265 479251503 /nfs/dbraw/zinc/25/15/03/479251503.db2.gz DILHOCZRKHWRBW-SWLSCSKDSA-N 0 0 349.412 2.604 10 5 EFBERN CC(C)n1cnc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000593230381 479251533 /nfs/dbraw/zinc/25/15/33/479251533.db2.gz SRPQERMKXUZYRG-JTQLQIEISA-N 0 0 335.389 2.887 10 5 EFBERN CC(C)n1cnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000593230301 479251698 /nfs/dbraw/zinc/25/16/98/479251698.db2.gz RQSAMOLLDUGYFF-UHFFFAOYSA-N 0 0 344.375 2.620 10 5 EFBERN CO[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596319636 479253025 /nfs/dbraw/zinc/25/30/25/479253025.db2.gz YTBFZJYOBBKUOD-SKDRFNHKSA-N 0 0 345.193 2.821 10 5 EFBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](Cn2ccnn2)C1 ZINC000596321286 479254163 /nfs/dbraw/zinc/25/41/63/479254163.db2.gz HOBSETINRKAPOX-SNVBAGLBSA-N 0 0 341.293 2.732 10 5 EFBERN CCc1cc(N[C@@H](CO)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596325380 479254747 /nfs/dbraw/zinc/25/47/47/479254747.db2.gz QZFCQIUJOZQTCA-INIZCTEOSA-N 0 0 342.399 2.609 10 5 EFBERN COC[C@@H](CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)OC ZINC000596326932 479255167 /nfs/dbraw/zinc/25/51/67/479255167.db2.gz APMKGEQGIVYULS-CQSZACIVSA-N 0 0 349.362 2.681 10 5 EFBERN CO[C@@H]1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000557105744 479255301 /nfs/dbraw/zinc/25/53/01/479255301.db2.gz YPASVLSEHDTPIU-WMLDXEAASA-N 0 0 345.399 2.940 10 5 EFBERN CN(C)c1noc(CSCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000596335316 479258707 /nfs/dbraw/zinc/25/87/07/479258707.db2.gz WMKITSUCUILDJW-UHFFFAOYSA-N 0 0 338.389 2.746 10 5 EFBERN CC[C@@H]1COC(C)(C)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593255349 479262123 /nfs/dbraw/zinc/26/21/23/479262123.db2.gz JAQHHHRIPFJKTQ-SNVBAGLBSA-N 0 0 342.342 2.832 10 5 EFBERN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000596357962 479264376 /nfs/dbraw/zinc/26/43/76/479264376.db2.gz UYPYYFFAHYNRRG-HALDLXJZSA-N 0 0 349.431 2.576 10 5 EFBERN C[C@@]1(c2ccccc2)C[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033308 479267008 /nfs/dbraw/zinc/26/70/08/479267008.db2.gz GBJKUFGCVFOSKH-SJORKVTESA-N 0 0 346.408 2.744 10 5 EFBERN CCN(CCC(F)(F)F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033369 479267428 /nfs/dbraw/zinc/26/74/28/479267428.db2.gz GMVLUHBSKXPAGG-UHFFFAOYSA-N 0 0 340.323 2.699 10 5 EFBERN CCOc1cc(N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000596367119 479268133 /nfs/dbraw/zinc/26/81/33/479268133.db2.gz GAJYWEGKVTXCNQ-BPLDGKMQSA-N 0 0 338.404 2.972 10 5 EFBERN CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367049 479268764 /nfs/dbraw/zinc/26/87/64/479268764.db2.gz DYPOGAHOTHGFOS-NORZTCDRSA-N 0 0 346.387 2.516 10 5 EFBERN CC(C)n1nc(C(F)(F)F)c([N+](=O)[O-])c1I ZINC000584881382 479270070 /nfs/dbraw/zinc/27/00/70/479270070.db2.gz SOUGSRHDKKNXIA-UHFFFAOYSA-N 0 0 349.050 2.996 10 5 EFBERN COc1cc(N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)c(F)cc1[N+](=O)[O-] ZINC000596371617 479270535 /nfs/dbraw/zinc/27/05/35/479270535.db2.gz YQRXBPBTTROMDM-UHIISALHSA-N 0 0 342.367 2.721 10 5 EFBERN CC1(C)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)c2cc(F)ccc21 ZINC000593276010 479271189 /nfs/dbraw/zinc/27/11/89/479271189.db2.gz AQXRRDVGZZPJDO-UHFFFAOYSA-N 0 0 332.335 2.645 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593279854 479273649 /nfs/dbraw/zinc/27/36/49/479273649.db2.gz ALJABRBHBYWYNQ-MRXNPFEDSA-N 0 0 334.372 2.538 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000557385555 479275557 /nfs/dbraw/zinc/27/55/57/479275557.db2.gz DKBVMWWJCXSNSF-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)C1(F)F ZINC000599379817 479276541 /nfs/dbraw/zinc/27/65/41/479276541.db2.gz ULJFVASSRWWJQM-OCAPTIKFSA-N 0 0 340.373 2.568 10 5 EFBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CC(F)C2)C1 ZINC000611077341 479278127 /nfs/dbraw/zinc/27/81/27/479278127.db2.gz ALGCNROKUZCGKC-UHFFFAOYSA-N 0 0 342.754 2.978 10 5 EFBERN CO[C@H](CSCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000596398938 479278804 /nfs/dbraw/zinc/27/88/04/479278804.db2.gz UNZMECBDDMZIMN-SWLSCSKDSA-N 0 0 327.402 2.758 10 5 EFBERN CO[C@@H](CSCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000596398936 479278830 /nfs/dbraw/zinc/27/88/30/479278830.db2.gz UNZMECBDDMZIMN-DOMZBBRYSA-N 0 0 327.402 2.758 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000557503208 479284078 /nfs/dbraw/zinc/28/40/78/479284078.db2.gz GVNKAVZCDMGGOH-VIFPVBQESA-N 0 0 335.385 2.611 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000593316065 479289824 /nfs/dbraw/zinc/28/98/24/479289824.db2.gz QCAMTJBDXATGFX-ZBFHGGJFSA-N 0 0 341.367 2.948 10 5 EFBERN C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593316524 479290860 /nfs/dbraw/zinc/29/08/60/479290860.db2.gz KETRPIYWMVJPBW-GFCCVEGCSA-N 0 0 336.413 2.857 10 5 EFBERN Cc1cccc(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000593316497 479290895 /nfs/dbraw/zinc/29/08/95/479290895.db2.gz PMXPCSOHZSHDAK-ZBFHGGJFSA-N 0 0 341.367 2.948 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593317928 479290966 /nfs/dbraw/zinc/29/09/66/479290966.db2.gz ZRABKKCYFCZMCS-AWEZNQCLSA-N 0 0 341.314 2.544 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](O)C(F)(F)C1 ZINC000596429212 479291828 /nfs/dbraw/zinc/29/18/28/479291828.db2.gz LLGCJLSQMSUEMF-JTQLQIEISA-N 0 0 337.120 2.564 10 5 EFBERN CCOC(=O)c1cc(N2CC3(CCC3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596435498 479294531 /nfs/dbraw/zinc/29/45/31/479294531.db2.gz FYEYFLVXAOYJEH-GFCCVEGCSA-N 0 0 334.372 2.919 10 5 EFBERN C[C@H]1COC2(CCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596437036 479294613 /nfs/dbraw/zinc/29/46/13/479294613.db2.gz VMZBUMYOXOSFKR-LBPRGKRZSA-N 0 0 345.399 2.635 10 5 EFBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2COCC[C@H]21 ZINC000611153363 479296479 /nfs/dbraw/zinc/29/64/79/479296479.db2.gz FLMAYDWLSMCAPC-SJKOYZFVSA-N 0 0 343.383 2.646 10 5 EFBERN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000611152690 479296777 /nfs/dbraw/zinc/29/67/77/479296777.db2.gz YFGPZIZYUGOBSL-GFCCVEGCSA-N 0 0 338.367 2.934 10 5 EFBERN Cn1ncc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1C(F)F ZINC000611158626 479297842 /nfs/dbraw/zinc/29/78/42/479297842.db2.gz UOWCKMSZZXPHPU-UHFFFAOYSA-N 0 0 335.270 3.000 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2nccn2c1 ZINC000611161455 479298142 /nfs/dbraw/zinc/29/81/42/479298142.db2.gz VKJYNTNIEOJZQO-UHFFFAOYSA-N 0 0 325.328 2.607 10 5 EFBERN Cn1ncc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1C(F)F ZINC000611162943 479298570 /nfs/dbraw/zinc/29/85/70/479298570.db2.gz AXJNJGOWRPXUKG-UHFFFAOYSA-N 0 0 325.275 2.588 10 5 EFBERN Cn1ncc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1C(F)F ZINC000611163119 479298830 /nfs/dbraw/zinc/29/88/30/479298830.db2.gz BMYHIDYIRZLVLT-UHFFFAOYSA-N 0 0 339.302 2.630 10 5 EFBERN CCOC(=O)c1cc(NCCO[C@@H]2CC2(F)F)ccc1[N+](=O)[O-] ZINC000596448633 479299349 /nfs/dbraw/zinc/29/93/49/479299349.db2.gz XBFLWIZTBDIQHQ-GFCCVEGCSA-N 0 0 330.287 2.608 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000596452444 479300806 /nfs/dbraw/zinc/30/08/06/479300806.db2.gz DFYZCONZXDHXCO-KKUMJFAQSA-N 0 0 333.388 2.649 10 5 EFBERN CC[C@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596455988 479301476 /nfs/dbraw/zinc/30/14/76/479301476.db2.gz YDVGYAZQPHPBOT-CFVMTHIKSA-N 0 0 349.387 2.639 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)NCC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000596455723 479301671 /nfs/dbraw/zinc/30/16/71/479301671.db2.gz WLCOKTYXQRCLKI-DNOWBOINSA-N 0 0 335.404 2.815 10 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ZINC000611180301 479303186 /nfs/dbraw/zinc/30/31/86/479303186.db2.gz WQANRGBNHNOJGB-UWVGGRQHSA-N 0 0 343.330 2.517 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CC(F)(F)C2 ZINC000611179374 479304027 /nfs/dbraw/zinc/30/40/27/479304027.db2.gz BYWZVMGPCNUHCB-SNVBAGLBSA-N 0 0 325.315 2.653 10 5 EFBERN C[C@H]1CC[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CS1(=O)=O ZINC000596462355 479305100 /nfs/dbraw/zinc/30/51/00/479305100.db2.gz ADISBJSOEQYDOC-WCBMZHEXSA-N 0 0 334.344 2.910 10 5 EFBERN C[C@@H]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000596463505 479306263 /nfs/dbraw/zinc/30/62/63/479306263.db2.gz DRJZEAYCLDRIID-MNOVXSKESA-N 0 0 335.385 2.521 10 5 EFBERN Cc1cccc([C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)c1 ZINC000599465929 479306472 /nfs/dbraw/zinc/30/64/72/479306472.db2.gz VXLDUZLYRMRAPV-HNNXBMFYSA-N 0 0 349.412 2.974 10 5 EFBERN C[C@H]1CC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CS1(=O)=O ZINC000596467322 479306670 /nfs/dbraw/zinc/30/66/70/479306670.db2.gz WTNXAVXZDSFOMM-QWRGUYRKSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CS1(=O)=O ZINC000596466626 479306763 /nfs/dbraw/zinc/30/67/63/479306763.db2.gz SVIOEASABASECL-ZYHUDNBSSA-N 0 0 335.385 2.521 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593354749 479307843 /nfs/dbraw/zinc/30/78/43/479307843.db2.gz CARQVMRARDRKMP-ZIAGYGMSSA-N 0 0 348.399 2.538 10 5 EFBERN Cc1cc(OCC(=O)N2CC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593352628 479307980 /nfs/dbraw/zinc/30/79/80/479307980.db2.gz GSOLJXMGROUDOL-AWEZNQCLSA-N 0 0 326.299 2.540 10 5 EFBERN C[C@H]1CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CS1(=O)=O ZINC000596468129 479307996 /nfs/dbraw/zinc/30/79/96/479307996.db2.gz ZUSORMYGSTUVLB-WDEREUQCSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CS1(=O)=O ZINC000596467730 479308245 /nfs/dbraw/zinc/30/82/45/479308245.db2.gz YORFMWFYRIZMMG-GHMZBOCLSA-N 0 0 335.385 2.521 10 5 EFBERN Cc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596467421 479308285 /nfs/dbraw/zinc/30/82/85/479308285.db2.gz XZRSXOGBFGOOGM-NEPJUHHUSA-N 0 0 349.412 2.829 10 5 EFBERN COc1cccc([C@@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)c1 ZINC000596472789 479309924 /nfs/dbraw/zinc/30/99/24/479309924.db2.gz JVISQBYAYIZWPU-SFHVURJKSA-N 0 0 343.383 2.746 10 5 EFBERN Cc1sc(S(=O)(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000599482449 479310084 /nfs/dbraw/zinc/31/00/84/479310084.db2.gz UVGOWAFVRYHMST-DDFAGTSDSA-N 0 0 330.431 2.679 10 5 EFBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000593359162 479310219 /nfs/dbraw/zinc/31/02/19/479310219.db2.gz RTHVOYDXCSMWIW-AWEZNQCLSA-N 0 0 336.388 2.716 10 5 EFBERN C[C@@H]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])O1 ZINC000596475527 479310684 /nfs/dbraw/zinc/31/06/84/479310684.db2.gz SSFKLMAHNJMBSI-RISCZKNCSA-N 0 0 333.388 2.857 10 5 EFBERN Cc1c(Br)c(N2C[C@@H]3COC[C@]3(C)C2)ncc1[N+](=O)[O-] ZINC000596479800 479311286 /nfs/dbraw/zinc/31/12/86/479311286.db2.gz KVRWDIVGPYMMHN-RNCFNFMXSA-N 0 0 342.193 2.533 10 5 EFBERN CCOc1ccc(C(=O)N2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593361531 479311137 /nfs/dbraw/zinc/31/11/37/479311137.db2.gz YNTJSGOXUDTNGQ-AWEZNQCLSA-N 0 0 326.299 2.865 10 5 EFBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000593361974 479311859 /nfs/dbraw/zinc/31/18/59/479311859.db2.gz PNRZUQWAFMDWIC-ZDUSSCGKSA-N 0 0 340.351 2.926 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@H]3COC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000596481623 479312365 /nfs/dbraw/zinc/31/23/65/479312365.db2.gz YUOJLRBUFUDARU-BJOHPYRUSA-N 0 0 340.763 2.508 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H]2COC[C@]2(C)C1 ZINC000596481644 479312474 /nfs/dbraw/zinc/31/24/74/479312474.db2.gz ZKNCPFGDQWYMHU-GTNSWQLSSA-N 0 0 329.356 2.624 10 5 EFBERN COc1cccc([C@@]2(C)CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)c1 ZINC000596482907 479312479 /nfs/dbraw/zinc/31/24/79/479312479.db2.gz MJEXKJSEBHDDOT-KRWDZBQOSA-N 0 0 328.372 2.749 10 5 EFBERN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000593364412 479313036 /nfs/dbraw/zinc/31/30/36/479313036.db2.gz WOVRPTWLDCWDDK-GFCCVEGCSA-N 0 0 340.351 2.926 10 5 EFBERN C[C@]12CCCC[C@H]1CN2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000602401006 479313087 /nfs/dbraw/zinc/31/30/87/479313087.db2.gz PBXIMUAQOKECEP-GTNSWQLSSA-N 0 0 332.356 2.771 10 5 EFBERN O=[N+]([O-])c1cnc(NCC(O)(C2CC2)C2CC2)c(Br)c1 ZINC000596490459 479315095 /nfs/dbraw/zinc/31/50/95/479315095.db2.gz AHHHRWLWMRJZEZ-UHFFFAOYSA-N 0 0 342.193 2.715 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC(O)(C1CC1)C1CC1 ZINC000596490487 479315342 /nfs/dbraw/zinc/31/53/42/479315342.db2.gz AOSUJYATELPZRL-UHFFFAOYSA-N 0 0 334.372 2.653 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000596489394 479315598 /nfs/dbraw/zinc/31/55/98/479315598.db2.gz TUCCQOQIZMXKIT-KBPBESRZSA-N 0 0 332.408 2.676 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2CCC(C3(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000593372689 479315896 /nfs/dbraw/zinc/31/58/96/479315896.db2.gz MEDTWVOBRAXWAR-ZDUSSCGKSA-N 0 0 347.415 2.911 10 5 EFBERN NC(=O)CC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000596492281 479316122 /nfs/dbraw/zinc/31/61/22/479316122.db2.gz OKJYLMKMEFXSSR-UHFFFAOYSA-N 0 0 334.376 2.542 10 5 EFBERN Cc1sc(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] ZINC000599507160 479316965 /nfs/dbraw/zinc/31/69/65/479316965.db2.gz QPHIGOAOYWXUFK-GWCFXTLKSA-N 0 0 330.431 2.918 10 5 EFBERN CC(C)(C)O[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C12CCC2 ZINC000596495865 479317216 /nfs/dbraw/zinc/31/72/16/479317216.db2.gz XKZNVEPLXXAWTM-STQMWFEESA-N 0 0 348.403 2.627 10 5 EFBERN Cn1ccc(CNc2cc(Br)cc([N+](=O)[O-])c2)cc1=O ZINC000585728989 479317922 /nfs/dbraw/zinc/31/79/22/479317922.db2.gz OFHRIZCWGCFENA-UHFFFAOYSA-N 0 0 338.161 2.668 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC2(CC2)CC1 ZINC000599508947 479317928 /nfs/dbraw/zinc/31/79/28/479317928.db2.gz BXGBEDUPNIEJIA-UHFFFAOYSA-N 0 0 340.401 2.558 10 5 EFBERN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000596500401 479318688 /nfs/dbraw/zinc/31/86/88/479318688.db2.gz BCXHQCJFXWMDPS-LKFCYVNXSA-N 0 0 329.303 2.871 10 5 EFBERN Cn1ncc(C2CCC2)c1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596502940 479319357 /nfs/dbraw/zinc/31/93/57/479319357.db2.gz OEPOXHIEQZXHLH-UHFFFAOYSA-N 0 0 338.371 2.573 10 5 EFBERN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1CC1CCC1 ZINC000596502130 479319739 /nfs/dbraw/zinc/31/97/39/479319739.db2.gz HFBOPCIZSYOUJQ-CQSZACIVSA-N 0 0 335.408 2.546 10 5 EFBERN CCOC(=O)CC1(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CCCC1 ZINC000574634326 479320668 /nfs/dbraw/zinc/32/06/68/479320668.db2.gz YEQDTRZAYDYEBR-UHFFFAOYSA-N 0 0 349.387 2.632 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1cn2c(n1)CCCC2 ZINC000593384477 479320805 /nfs/dbraw/zinc/32/08/05/479320805.db2.gz QKVDOZGXMWXOBW-UHFFFAOYSA-N 0 0 328.372 2.926 10 5 EFBERN CCCCC[C@@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000596506700 479321399 /nfs/dbraw/zinc/32/13/99/479321399.db2.gz SHOKHZKDYUEUFO-CQSZACIVSA-N 0 0 337.424 2.936 10 5 EFBERN C[C@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000599531075 479322765 /nfs/dbraw/zinc/32/27/65/479322765.db2.gz HGDAWICHFQGTOR-NXEZZACHSA-N 0 0 346.309 2.591 10 5 EFBERN O=C(c1cc(N[C@@H]2C[C@@H](O)C23CCC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596511366 479323134 /nfs/dbraw/zinc/32/31/34/479323134.db2.gz PHXAPIAEACEZMP-HZPDHXFCSA-N 0 0 345.399 2.546 10 5 EFBERN O=C(c1cc(N[C@H]2C[C@H](O)C23CCC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596511365 479323575 /nfs/dbraw/zinc/32/35/75/479323575.db2.gz PHXAPIAEACEZMP-HOTGVXAUSA-N 0 0 345.399 2.546 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)n1 ZINC000596513690 479323682 /nfs/dbraw/zinc/32/36/82/479323682.db2.gz CWPXZBGCZYPDBO-HUUCEWRRSA-N 0 0 346.431 2.662 10 5 EFBERN Cc1c(Br)c(N[C@H]2C[C@H](O)C23CCC3)ncc1[N+](=O)[O-] ZINC000596515501 479324376 /nfs/dbraw/zinc/32/43/76/479324376.db2.gz YVQQIDJCUOKKHD-UWVGGRQHSA-N 0 0 342.193 2.776 10 5 EFBERN COC(=O)[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000596516239 479325485 /nfs/dbraw/zinc/32/54/85/479325485.db2.gz PARIUWUSNKMDQY-WCQYABFASA-N 0 0 329.356 2.778 10 5 EFBERN CC(C)[C@@H](O)[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000596517159 479325592 /nfs/dbraw/zinc/32/55/92/479325592.db2.gz ZVDZLLGKPBUPLJ-IAGOWNOFSA-N 0 0 343.383 2.864 10 5 EFBERN COc1cc(NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000596519404 479326081 /nfs/dbraw/zinc/32/60/81/479326081.db2.gz JSSIMVZTFSOENY-JTQLQIEISA-N 0 0 339.367 2.801 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000596526476 479328123 /nfs/dbraw/zinc/32/81/23/479328123.db2.gz DZKDNEUKOVOHKS-ZJUUUORDSA-N 0 0 327.178 2.830 10 5 EFBERN Cc1c(Br)c(N2CC[C@@H]3COC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000596530611 479329936 /nfs/dbraw/zinc/32/99/36/479329936.db2.gz UQPSNQHSFMVRIZ-ZJUUUORDSA-N 0 0 342.193 2.533 10 5 EFBERN Cc1c(Br)c(N2CC[C@H]3COC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000596530609 479330141 /nfs/dbraw/zinc/33/01/41/479330141.db2.gz UQPSNQHSFMVRIZ-UWVGGRQHSA-N 0 0 342.193 2.533 10 5 EFBERN COc1cc(N2CCOc3ccc(O)cc3C2)c(F)cc1[N+](=O)[O-] ZINC000596533431 479331177 /nfs/dbraw/zinc/33/11/77/479331177.db2.gz AJTSCLUIKCTFGL-UHFFFAOYSA-N 0 0 334.303 2.847 10 5 EFBERN CC(C)(CNc1c2ccccc2ncc1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000596532335 479331411 /nfs/dbraw/zinc/33/14/11/479331411.db2.gz DEAIZCXWHOOFRQ-SFHVURJKSA-N 0 0 345.399 2.545 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552921 479331477 /nfs/dbraw/zinc/33/14/77/479331477.db2.gz KTERIODNSZQNMK-UPJWGTAASA-N 0 0 335.429 2.892 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000596538002 479333096 /nfs/dbraw/zinc/33/30/96/479333096.db2.gz PMPOZWJAPOSYLN-AWEZNQCLSA-N 0 0 346.431 2.610 10 5 EFBERN O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000593420885 479333319 /nfs/dbraw/zinc/33/33/19/479333319.db2.gz ITBPEKDTAIITCF-UHFFFAOYSA-N 0 0 348.380 2.615 10 5 EFBERN CCn1nccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585810334 479334831 /nfs/dbraw/zinc/33/48/31/479334831.db2.gz BXNQLTWLYWGLMG-UHFFFAOYSA-N 0 0 339.149 2.826 10 5 EFBERN NC(=O)CC1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CCCCC1 ZINC000596545957 479335478 /nfs/dbraw/zinc/33/54/78/479335478.db2.gz ZBOYOWJZVGJTKB-UHFFFAOYSA-N 0 0 332.404 2.801 10 5 EFBERN CCOC(=O)Cc1ccc(NC[C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000596546684 479335564 /nfs/dbraw/zinc/33/55/64/479335564.db2.gz SXWKRZAQKYAJFU-ZDUSSCGKSA-N 0 0 336.388 2.927 10 5 EFBERN C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccncc1 ZINC000611281462 479336538 /nfs/dbraw/zinc/33/65/38/479336538.db2.gz MZCXSALPRNTLHD-SECBINFHSA-N 0 0 341.414 2.670 10 5 EFBERN O=[N+]([O-])c1cnccc1NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000596551629 479336700 /nfs/dbraw/zinc/33/67/00/479336700.db2.gz HLKWQFFTJMKATJ-MRXNPFEDSA-N 0 0 343.383 2.719 10 5 EFBERN COC(=O)c1cnc([C@@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)s1 ZINC000596566485 479341761 /nfs/dbraw/zinc/34/17/61/479341761.db2.gz HCLVZHKENNFIBS-SNVBAGLBSA-N 0 0 348.384 2.617 10 5 EFBERN COC(=O)c1cnc([C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)s1 ZINC000596568972 479343365 /nfs/dbraw/zinc/34/33/65/479343365.db2.gz GWILCIWYMRPLSB-SNVBAGLBSA-N 0 0 348.384 2.617 10 5 EFBERN Cc1sc(C(=O)N[C@H](CO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000611303758 479343846 /nfs/dbraw/zinc/34/38/46/479343846.db2.gz SGFZIHNCXGYJEI-GXFFZTMASA-N 0 0 334.397 2.859 10 5 EFBERN Cc1nn(C)c(C)c1[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000611306303 479345110 /nfs/dbraw/zinc/34/51/10/479345110.db2.gz HEBDESHPAZRGGA-INIZCTEOSA-N 0 0 330.388 2.831 10 5 EFBERN Cc1nn(C)c(C)c1[C@H]1COCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000611306304 479345124 /nfs/dbraw/zinc/34/51/24/479345124.db2.gz HEBDESHPAZRGGA-MRXNPFEDSA-N 0 0 330.388 2.831 10 5 EFBERN CO[C@H]1CC[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000596581269 479347383 /nfs/dbraw/zinc/34/73/83/479347383.db2.gz CCWVYEGBJRBIHG-RYUDHWBXSA-N 0 0 332.360 2.915 10 5 EFBERN CC(C)(C)OC(=O)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC000596583344 479347812 /nfs/dbraw/zinc/34/78/12/479347812.db2.gz KZPOIZXGNLUXNQ-LLVKDONJSA-N 0 0 337.376 2.865 10 5 EFBERN C[C@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@H]1CCCO1 ZINC000596581601 479347923 /nfs/dbraw/zinc/34/79/23/479347923.db2.gz DDPONXNDWRGUGF-IUODEOHRSA-N 0 0 346.387 2.990 10 5 EFBERN CC1(C)OC[C@H]2C[C@]21c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000596584497 479348889 /nfs/dbraw/zinc/34/88/89/479348889.db2.gz VXEXECSIDLGTNH-PIGZYNQJSA-N 0 0 344.371 2.699 10 5 EFBERN CC(C)[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000596585858 479349194 /nfs/dbraw/zinc/34/91/94/479349194.db2.gz ADBFBLIQKCEDAV-HNNXBMFYSA-N 0 0 331.376 2.705 10 5 EFBERN COc1ccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000586777433 479350027 /nfs/dbraw/zinc/35/00/27/479350027.db2.gz OXSCYTDEIXSDBT-NOZJJQNGSA-N 0 0 334.294 2.755 10 5 EFBERN CO[C@H](c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)[C@H]1CCOC1 ZINC000596589367 479350129 /nfs/dbraw/zinc/35/01/29/479350129.db2.gz CQNOKUQNCMNPFF-WFASDCNBSA-N 0 0 333.344 2.601 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)c3c2cccc3F)n1 ZINC000611335079 479350276 /nfs/dbraw/zinc/35/02/76/479350276.db2.gz HNHFVRBZIDOWNP-UHFFFAOYSA-N 0 0 330.319 2.550 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000586777263 479350400 /nfs/dbraw/zinc/35/04/00/479350400.db2.gz JFBMNNWIPBTBMO-ZWNOBZJWSA-N 0 0 334.294 2.625 10 5 EFBERN Cc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000586784269 479352636 /nfs/dbraw/zinc/35/26/36/479352636.db2.gz VTXOCIZQBYHNJH-LBPRGKRZSA-N 0 0 332.385 2.686 10 5 EFBERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593466607 479354015 /nfs/dbraw/zinc/35/40/15/479354015.db2.gz ZHURZDVRPPXLBO-OHUAYANFSA-N 0 0 326.356 2.564 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H](CCO)C1CCOCC1 ZINC000593467945 479354195 /nfs/dbraw/zinc/35/41/95/479354195.db2.gz POLBJJQMAKWNGW-OAHLLOKOSA-N 0 0 331.372 2.733 10 5 EFBERN CN1CCC2(CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)C1=O ZINC000593468648 479355061 /nfs/dbraw/zinc/35/50/61/479355061.db2.gz JRKVLKVQQDSTMA-UHFFFAOYSA-N 0 0 340.383 2.592 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(F)c(COC)c3)no2)n1 ZINC000596606571 479357145 /nfs/dbraw/zinc/35/71/45/479357145.db2.gz QWDUSVFQQCNQMH-UHFFFAOYSA-N 0 0 347.306 2.814 10 5 EFBERN CC[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H](C)S1(=O)=O ZINC000593473548 479357312 /nfs/dbraw/zinc/35/73/12/479357312.db2.gz SBWCFJFBZYKEIJ-YPMHNXCESA-N 0 0 349.412 2.545 10 5 EFBERN O=C([C@@H]1C[C@@H]1C1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593475457 479358900 /nfs/dbraw/zinc/35/89/00/479358900.db2.gz FTTUIIQFRWPBCB-FVQBIDKESA-N 0 0 344.415 2.829 10 5 EFBERN CC(C)(CNc1ccnc2cc([N+](=O)[O-])ccc21)[C@]1(O)CCOC1 ZINC000593478238 479359665 /nfs/dbraw/zinc/35/96/65/479359665.db2.gz KOMPEGPQSVOIEF-KRWDZBQOSA-N 0 0 331.372 2.733 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000596620568 479361080 /nfs/dbraw/zinc/36/10/80/479361080.db2.gz NYNVQPVVNYNODQ-IAGOWNOFSA-N 0 0 342.351 2.998 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)n1 ZINC000596620148 479361262 /nfs/dbraw/zinc/36/12/62/479361262.db2.gz ZMTRMDNFBNCCOC-RYUDHWBXSA-N 0 0 325.328 2.725 10 5 EFBERN C[C@@]1(c2cccc(F)c2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000593483058 479361365 /nfs/dbraw/zinc/36/13/65/479361365.db2.gz YPPVUSNHBJLJHH-GOSISDBHSA-N 0 0 345.374 2.976 10 5 EFBERN C[C@]1(c2cccc(F)c2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000593482960 479361512 /nfs/dbraw/zinc/36/15/12/479361512.db2.gz VUDANXLOXBGDAE-KRWDZBQOSA-N 0 0 341.346 2.945 10 5 EFBERN Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000599633990 479361716 /nfs/dbraw/zinc/36/17/16/479361716.db2.gz DQARTOBMJUZEFW-UKRRQHHQSA-N 0 0 342.399 2.848 10 5 EFBERN CC[C@H](NC(=O)Cn1ccc(C(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000599634867 479361959 /nfs/dbraw/zinc/36/19/59/479361959.db2.gz MINVQQNDTGVEMR-LBPRGKRZSA-N 0 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/nfs/dbraw/zinc/36/52/43/479365243.db2.gz VPXBFJDORPTAKI-GOSISDBHSA-N 0 0 348.399 2.927 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C2CC2)C2CCOCC2)c1 ZINC000593493424 479365408 /nfs/dbraw/zinc/36/54/08/479365408.db2.gz VHDKHTJYMLFXEI-MRXNPFEDSA-N 0 0 334.372 2.999 10 5 EFBERN COC(=O)[C@@](C)(NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599643231 479365979 /nfs/dbraw/zinc/36/59/79/479365979.db2.gz LKXANFUBERHDMB-SFHVURJKSA-N 0 0 328.368 2.815 10 5 EFBERN Cc1c(NC(=O)Nc2ccn(C3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000596636821 479366051 /nfs/dbraw/zinc/36/60/51/479366051.db2.gz VVNMZWJUNHPIPJ-UHFFFAOYSA-N 0 0 345.359 2.517 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593496804 479366519 /nfs/dbraw/zinc/36/65/19/479366519.db2.gz GXQVCEQDUSYAOQ-UHFFFAOYSA-N 0 0 338.408 2.678 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3c(O)cccc3C2)c1 ZINC000599646936 479366625 /nfs/dbraw/zinc/36/66/25/479366625.db2.gz NCQTZYPOEFHLPP-UHFFFAOYSA-N 0 0 342.351 2.645 10 5 EFBERN COC(=O)[C@@](C)(NCc1ncc(C2CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC000599648706 479366685 /nfs/dbraw/zinc/36/66/85/479366685.db2.gz DFLREKMGSJUCPL-KRWDZBQOSA-N 0 0 345.355 2.638 10 5 EFBERN CCOc1cc(N2CCC(Cn3cnnc3)CC2)ccc1[N+](=O)[O-] ZINC000593499787 479366937 /nfs/dbraw/zinc/36/69/37/479366937.db2.gz BCGYMVIPULOCCP-UHFFFAOYSA-N 0 0 331.376 2.502 10 5 EFBERN COC(=O)[C@@](C)(NCc1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000599646754 479367033 /nfs/dbraw/zinc/36/70/33/479367033.db2.gz LHWVSPCSYYPUIN-INIZCTEOSA-N 0 0 349.774 2.821 10 5 EFBERN COC(=O)[C@@](C)(NC[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000599647298 479367701 /nfs/dbraw/zinc/36/77/01/479367701.db2.gz CGNNITRJOBIWTG-PBHICJAKSA-N 0 0 336.388 2.530 10 5 EFBERN COC(=O)C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000596639758 479368539 /nfs/dbraw/zinc/36/85/39/479368539.db2.gz YTIOLHZLVDAFBW-GFCCVEGCSA-N 0 0 335.360 2.614 10 5 EFBERN C[C@@H](NC(=O)NCC1(CO)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000611397806 479368722 /nfs/dbraw/zinc/36/87/22/479368722.db2.gz MXWNPNPRTWDCFA-CYBMUJFWSA-N 0 0 335.404 2.898 10 5 EFBERN C[C@H](NC(=O)c1ccc2[nH]c(=O)oc2c1)c1ccccc1[N+](=O)[O-] ZINC000611401623 479369213 /nfs/dbraw/zinc/36/92/13/479369213.db2.gz WUNXSKAFRAAVQH-VIFPVBQESA-N 0 0 327.296 2.933 10 5 EFBERN COC(=O)[C@](C)(NCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000599650271 479369802 /nfs/dbraw/zinc/36/98/02/479369802.db2.gz HCZSBMFOPVVCHP-OAHLLOKOSA-N 0 0 335.385 2.538 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)Cc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000593507857 479370291 /nfs/dbraw/zinc/37/02/91/479370291.db2.gz NQBCYQTVSISUBK-CYBMUJFWSA-N 0 0 342.399 2.856 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1N1CCC(c2nnc3n2CCC3)CC1 ZINC000587344379 479370608 /nfs/dbraw/zinc/37/06/08/479370608.db2.gz ANLUDKVQWBCHFW-UHFFFAOYSA-N 0 0 331.351 2.656 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCC1(CO)CCC1 ZINC000593512173 479371494 /nfs/dbraw/zinc/37/14/94/479371494.db2.gz LMNFXQUEXLUSFH-UHFFFAOYSA-N 0 0 340.351 2.875 10 5 EFBERN Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000587416231 479371733 /nfs/dbraw/zinc/37/17/33/479371733.db2.gz TVYWUUDJXSSMFN-SKDRFNHKSA-N 0 0 332.278 2.695 10 5 EFBERN COC(=O)[C@@](C)(NCCCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599652971 479371929 /nfs/dbraw/zinc/37/19/29/479371929.db2.gz ODLZCBIZSCZUEE-KRWDZBQOSA-N 0 0 338.404 2.778 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000587416225 479372026 /nfs/dbraw/zinc/37/20/26/479372026.db2.gz SRXLNZGAIIBEOI-CABZTGNLSA-N 0 0 332.278 2.695 10 5 EFBERN COC(=O)[C@](C)(NCCc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000599654644 479372554 /nfs/dbraw/zinc/37/25/54/479372554.db2.gz SGZZAZZKOMVUMQ-GOSISDBHSA-N 0 0 343.383 2.519 10 5 EFBERN CCc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000587434189 479372980 /nfs/dbraw/zinc/37/29/80/479372980.db2.gz OTMJXHGAYQUCEJ-TVQRCGJNSA-N 0 0 346.305 2.949 10 5 EFBERN COC(=O)[C@@](C)(NCc1ccc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000599655893 479373073 /nfs/dbraw/zinc/37/30/73/479373073.db2.gz YMFHFTDHMNQUIH-SFHVURJKSA-N 0 0 343.383 2.785 10 5 EFBERN O=[N+]([O-])c1cnc(NCCC2(CO)CCC2)c(Br)c1 ZINC000593512815 479373239 /nfs/dbraw/zinc/37/32/39/479373239.db2.gz UMAIYJWPHMMXHK-UHFFFAOYSA-N 0 0 330.182 2.717 10 5 EFBERN CC(=O)c1ccc(N[C@H]2CCCc3c2ccc(=O)n3C)c([N+](=O)[O-])c1 ZINC000593519930 479375532 /nfs/dbraw/zinc/37/55/32/479375532.db2.gz JCKAPKVXGAPLIO-AWEZNQCLSA-N 0 0 341.367 2.986 10 5 EFBERN COc1c(C)cc(CN(C)c2cc(N)c([N+](=O)[O-])c(CO)c2)cc1C ZINC000587771481 479375663 /nfs/dbraw/zinc/37/56/63/479375663.db2.gz OMZVZLVQRQPWRH-UHFFFAOYSA-N 0 0 345.399 2.931 10 5 EFBERN CC(=O)c1cc(N[C@H]2CCCc3c2ccc(=O)n3C)ccc1[N+](=O)[O-] ZINC000593521525 479376355 /nfs/dbraw/zinc/37/63/55/479376355.db2.gz UIUPLXXAIZVLCS-HNNXBMFYSA-N 0 0 341.367 2.986 10 5 EFBERN CCCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593525000 479377218 /nfs/dbraw/zinc/37/72/18/479377218.db2.gz FMBHLPHTTNWNQL-UHFFFAOYSA-N 0 0 335.385 2.591 10 5 EFBERN CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524831 479377312 /nfs/dbraw/zinc/37/73/12/479377312.db2.gz BFOOBQAVEOQLLR-OAHLLOKOSA-N 0 0 347.396 2.688 10 5 EFBERN C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000596662245 479377772 /nfs/dbraw/zinc/37/77/72/479377772.db2.gz HUIJTUMYQQJAKM-CYBMUJFWSA-N 0 0 328.372 2.935 10 5 EFBERN Nc1cc(N[C@H]2CCOc3ccc(F)cc32)cc(CO)c1[N+](=O)[O-] ZINC000587974352 479377918 /nfs/dbraw/zinc/37/79/18/479377918.db2.gz YHWKZZPFSGXNED-AWEZNQCLSA-N 0 0 333.319 2.744 10 5 EFBERN COC1CC(CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000596662327 479378205 /nfs/dbraw/zinc/37/82/05/479378205.db2.gz NMDRKMGWIIQTPO-UHFFFAOYSA-N 0 0 335.404 2.944 10 5 EFBERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000611430037 479378303 /nfs/dbraw/zinc/37/83/03/479378303.db2.gz RLPXYUTXEYHCKM-DFKRKDTASA-N 0 0 331.372 2.865 10 5 EFBERN COC(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000599662769 479378483 /nfs/dbraw/zinc/37/84/83/479378483.db2.gz XJLWZOAQEHGAOZ-BRWVUGGUSA-N 0 0 348.399 2.637 10 5 EFBERN CO[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000596665623 479378552 /nfs/dbraw/zinc/37/85/52/479378552.db2.gz DTMPSRIQXIVIBA-INIZCTEOSA-N 0 0 335.404 2.718 10 5 EFBERN Cc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000593531822 479378731 /nfs/dbraw/zinc/37/87/31/479378731.db2.gz UAOZMFPMHAIVML-MRXNPFEDSA-N 0 0 347.396 2.728 10 5 EFBERN Nc1cc(NCC2(c3cccc(F)c3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587982724 479378745 /nfs/dbraw/zinc/37/87/45/479378745.db2.gz RKCQWJYISHECQM-UHFFFAOYSA-N 0 0 331.347 2.952 10 5 EFBERN Cc1cccc(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593536515 479379853 /nfs/dbraw/zinc/37/98/53/479379853.db2.gz SXJFFGAQHVGKHL-UHFFFAOYSA-N 0 0 349.412 2.554 10 5 EFBERN Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593534675 479379876 /nfs/dbraw/zinc/37/98/76/479379876.db2.gz OYLSQEWUCNCWRV-LBPRGKRZSA-N 0 0 335.385 2.680 10 5 EFBERN C[C@@H]1c2ccccc2CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587990070 479379861 /nfs/dbraw/zinc/37/98/61/479379861.db2.gz WNNUCBJCMAEACN-LLVKDONJSA-N 0 0 338.367 2.866 10 5 EFBERN Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000593535362 479379981 /nfs/dbraw/zinc/37/99/81/479379981.db2.gz XVUMSLWXFOJGDJ-ZDUSSCGKSA-N 0 0 349.412 2.988 10 5 EFBERN COc1cccc2c1CC[C@H]2Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587998807 479381207 /nfs/dbraw/zinc/38/12/07/479381207.db2.gz FVQXUWUTXKRKFJ-OAHLLOKOSA-N 0 0 329.356 2.777 10 5 EFBERN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588001071 479382124 /nfs/dbraw/zinc/38/21/24/479382124.db2.gz JVXYYVMOJPBUNC-GJZGRUSLSA-N 0 0 337.420 2.699 10 5 EFBERN Cc1ccccc1C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593540510 479382259 /nfs/dbraw/zinc/38/22/59/479382259.db2.gz ZBRHJPMEQFTTPZ-UHFFFAOYSA-N 0 0 349.412 2.554 10 5 EFBERN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)Cc2ccccc21 ZINC000588007870 479382788 /nfs/dbraw/zinc/38/27/88/479382788.db2.gz CGLZHZLGEJZLAB-UHFFFAOYSA-N 0 0 327.384 2.967 10 5 EFBERN COc1ccc(C[C@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000588008421 479382931 /nfs/dbraw/zinc/38/29/31/479382931.db2.gz VBASDPDFCALKRZ-LBPRGKRZSA-N 0 0 345.399 2.969 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CCC2)nc1 ZINC000593545121 479383370 /nfs/dbraw/zinc/38/33/70/479383370.db2.gz UHOOJWPWGHXAPI-MRXNPFEDSA-N 0 0 347.396 2.810 10 5 EFBERN CCOC(=O)c1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000611452660 479383671 /nfs/dbraw/zinc/38/36/71/479383671.db2.gz VEHJPESVMDPNHG-UHFFFAOYSA-N 0 0 333.275 2.558 10 5 EFBERN C[C@@H]1CC[C@H](C(F)(F)F)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588014062 479383663 /nfs/dbraw/zinc/38/36/63/479383663.db2.gz NXCROQRMHUXXRH-SCZZXKLOSA-N 0 0 333.310 2.837 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCC3(CC3)CC2)cc1 ZINC000599673529 479383736 /nfs/dbraw/zinc/38/37/36/479383736.db2.gz SEBZNFJGAMOSDY-UHFFFAOYSA-N 0 0 338.429 2.635 10 5 EFBERN CC(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593547064 479384081 /nfs/dbraw/zinc/38/40/81/479384081.db2.gz RORSZJTXUUDGFR-GFCCVEGCSA-N 0 0 341.433 2.827 10 5 EFBERN C[C@H]1CC[C@H](C(F)(F)F)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588014064 479384110 /nfs/dbraw/zinc/38/41/10/479384110.db2.gz NXCROQRMHUXXRH-WPRPVWTQSA-N 0 0 333.310 2.837 10 5 EFBERN Nc1cc(N2CCC(Cc3cccnc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588011269 479384126 /nfs/dbraw/zinc/38/41/26/479384126.db2.gz WRUSWFRRNSSWJN-UHFFFAOYSA-N 0 0 342.399 2.523 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)nc1 ZINC000593547771 479384162 /nfs/dbraw/zinc/38/41/62/479384162.db2.gz YOUDNWDKYMJZMW-HNNXBMFYSA-N 0 0 337.401 2.501 10 5 EFBERN CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593548078 479384527 /nfs/dbraw/zinc/38/45/27/479384527.db2.gz LUAHYVOCOUOGMP-DGCLKSJQSA-N 0 0 327.406 2.579 10 5 EFBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000593546637 479384633 /nfs/dbraw/zinc/38/46/33/479384633.db2.gz ICGSGPHRACKASG-UHFFFAOYSA-N 0 0 349.412 2.537 10 5 EFBERN Nc1cc(NCCc2ccc(F)c(F)c2F)cc(CO)c1[N+](=O)[O-] ZINC000588015531 479384864 /nfs/dbraw/zinc/38/48/64/479384864.db2.gz CWFJZUAKBCULSQ-UHFFFAOYSA-N 0 0 341.289 2.741 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H](OC(F)F)C2)s1 ZINC000588014510 479384875 /nfs/dbraw/zinc/38/48/75/479384875.db2.gz VKQGYUJZELDYHG-SSDOTTSWSA-N 0 0 330.316 2.808 10 5 EFBERN CCC1(CC)CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCS1 ZINC000588018520 479385032 /nfs/dbraw/zinc/38/50/32/479385032.db2.gz BUQXJXWMKIZNOD-UHFFFAOYSA-N 0 0 325.434 2.781 10 5 EFBERN COc1cccc(Cl)c1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588030926 479385563 /nfs/dbraw/zinc/38/55/63/479385563.db2.gz YWGZOVQBHCHPSL-UHFFFAOYSA-N 0 0 337.763 2.943 10 5 EFBERN CCSc1cc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)ccn1 ZINC000588023576 479385874 /nfs/dbraw/zinc/38/58/74/479385874.db2.gz ZPEKYFYZQMERFQ-UHFFFAOYSA-N 0 0 334.401 2.788 10 5 EFBERN CC(C)C[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593555760 479386566 /nfs/dbraw/zinc/38/65/66/479386566.db2.gz DXZJTPNUNKPYNM-CYBMUJFWSA-N 0 0 341.433 2.969 10 5 EFBERN C[C@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593558164 479387571 /nfs/dbraw/zinc/38/75/71/479387571.db2.gz FLEMOISWGNJSRO-SWLSCSKDSA-N 0 0 347.396 2.557 10 5 EFBERN C[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593558162 479387813 /nfs/dbraw/zinc/38/78/13/479387813.db2.gz FLEMOISWGNJSRO-DOMZBBRYSA-N 0 0 347.396 2.557 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588068643 479389122 /nfs/dbraw/zinc/38/91/22/479389122.db2.gz YRLWBEKXXUFWNC-QPUJVOFHSA-N 0 0 342.277 2.694 10 5 EFBERN C[C@H]1CO[C@H](C(F)(F)F)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000588068577 479389448 /nfs/dbraw/zinc/38/94/48/479389448.db2.gz VRCGJVOEHFLKQZ-XPUUQOCRSA-N 0 0 348.306 2.756 10 5 EFBERN O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000588077201 479390514 /nfs/dbraw/zinc/39/05/14/479390514.db2.gz KJYMHQOPCDXKBQ-UHFFFAOYSA-N 0 0 349.778 2.688 10 5 EFBERN COC(=O)C1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000599689876 479392261 /nfs/dbraw/zinc/39/22/61/479392261.db2.gz LDRKJYZSBBFGLF-RYUDHWBXSA-N 0 0 336.388 2.765 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(Cc2ccco2)C1 ZINC000599691088 479393774 /nfs/dbraw/zinc/39/37/74/479393774.db2.gz ADQUJFYZFGOPEW-UHFFFAOYSA-N 0 0 331.328 2.903 10 5 EFBERN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000599699730 479396934 /nfs/dbraw/zinc/39/69/34/479396934.db2.gz YTNOABCPCVRNGN-DABQJJPHSA-N 0 0 336.388 2.765 10 5 EFBERN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000611502718 479396987 /nfs/dbraw/zinc/39/69/87/479396987.db2.gz XFUYPCQCDHBCTD-NTZNESFSSA-N 0 0 339.367 2.610 10 5 EFBERN C[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1F ZINC000611501769 479397478 /nfs/dbraw/zinc/39/74/78/479397478.db2.gz IEIUGKXONBKFOQ-WCQYABFASA-N 0 0 337.351 2.573 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000588144791 479398165 /nfs/dbraw/zinc/39/81/65/479398165.db2.gz VDIAZVJGBPIRBQ-JTQLQIEISA-N 0 0 334.344 2.678 10 5 EFBERN C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611505605 479398363 /nfs/dbraw/zinc/39/83/63/479398363.db2.gz DHOLOOJVIKKNTA-XHDPSFHLSA-N 0 0 346.362 2.815 10 5 EFBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 ZINC000593602776 479398851 /nfs/dbraw/zinc/39/88/51/479398851.db2.gz GLFQAOIYOMEGMK-NSHDSACASA-N 0 0 347.396 2.907 10 5 EFBERN CC(C)N(C1CC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593605902 479399688 /nfs/dbraw/zinc/39/96/88/479399688.db2.gz MGSNPEVCKWOHQY-UHFFFAOYSA-N 0 0 327.406 2.578 10 5 EFBERN C[C@@H](Cc1ccccc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000588157359 479399995 /nfs/dbraw/zinc/39/99/95/479399995.db2.gz INNNPWIGWUKLJY-AWEZNQCLSA-N 0 0 328.368 2.969 10 5 EFBERN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000588154951 479400242 /nfs/dbraw/zinc/40/02/42/479400242.db2.gz NNBHHFYDWQPERY-CQSZACIVSA-N 0 0 342.399 2.977 10 5 EFBERN COc1cc(Cn2cnc3ccc(F)cc3c2=O)ccc1[N+](=O)[O-] ZINC000611509293 479400583 /nfs/dbraw/zinc/40/05/83/479400583.db2.gz HCHZLBIFVBDWFW-UHFFFAOYSA-N 0 0 329.287 2.501 10 5 EFBERN COC(=O)C1C[C@H](C)[NH+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599709175 479401013 /nfs/dbraw/zinc/40/10/13/479401013.db2.gz PVQITKTUIPFJMN-STQMWFEESA-N 0 0 336.388 2.636 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C2CCC2)C2CCCC2)nc1 ZINC000593613383 479401809 /nfs/dbraw/zinc/40/18/09/479401809.db2.gz SWJRSIONRRYKER-HNNXBMFYSA-N 0 0 339.417 2.627 10 5 EFBERN O=C(CN1CC=CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000611517493 479402197 /nfs/dbraw/zinc/40/21/97/479402197.db2.gz IWBQTHIIWMFSED-UHFFFAOYSA-N 0 0 344.396 2.919 10 5 EFBERN CCOc1cc(C(=O)N[C@@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000588180710 479403807 /nfs/dbraw/zinc/40/38/07/479403807.db2.gz REGUPCSIJGCJSR-CYBMUJFWSA-N 0 0 344.314 2.920 10 5 EFBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC12CCCC2 ZINC000593618260 479404435 /nfs/dbraw/zinc/40/44/35/479404435.db2.gz JMAQRMCBSKFFMJ-UHFFFAOYSA-N 0 0 330.793 2.955 10 5 EFBERN COc1ccc(OC)c([C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 ZINC000611525474 479405441 /nfs/dbraw/zinc/40/54/41/479405441.db2.gz VSTQGGZVRQHIBY-JTQLQIEISA-N 0 0 347.371 2.860 10 5 EFBERN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H](c2ccccc2)O1 ZINC000611525596 479406149 /nfs/dbraw/zinc/40/61/49/479406149.db2.gz NJIARTSBUKEHBK-PXAZEXFGSA-N 0 0 343.383 2.636 10 5 EFBERN COc1ccccc1CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC1 ZINC000611525426 479406181 /nfs/dbraw/zinc/40/61/81/479406181.db2.gz ANCXWZQGJBDFMF-UHFFFAOYSA-N 0 0 343.383 2.847 10 5 EFBERN CCN1CCc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc21 ZINC000611527999 479406296 /nfs/dbraw/zinc/40/62/96/479406296.db2.gz DEFATVRMHJRXEL-UHFFFAOYSA-N 0 0 326.356 2.812 10 5 EFBERN CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1OC ZINC000603589772 479410046 /nfs/dbraw/zinc/41/00/46/479410046.db2.gz AJZLKPBLKXMDSN-UHFFFAOYSA-N 0 0 347.371 2.661 10 5 EFBERN Cc1cc(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc(C)c1O ZINC000593642329 479411310 /nfs/dbraw/zinc/41/13/10/479411310.db2.gz FUGYCIDOGKIRFS-UHFFFAOYSA-N 0 0 346.358 2.958 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCC1(F)F ZINC000588296266 479413282 /nfs/dbraw/zinc/41/32/82/479413282.db2.gz BIYJNHMXNKZTHN-GFCCVEGCSA-N 0 0 329.303 2.590 10 5 EFBERN CCc1cccc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000593657975 479414521 /nfs/dbraw/zinc/41/45/21/479414521.db2.gz VDQQXOJESFXSOD-UHFFFAOYSA-N 0 0 348.424 2.819 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000593662902 479415365 /nfs/dbraw/zinc/41/53/65/479415365.db2.gz NDISLVAHCGTTSY-SCAQPMJSSA-N 0 0 340.383 2.676 10 5 EFBERN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2cccs2)C1=O ZINC000603635697 479416154 /nfs/dbraw/zinc/41/61/54/479416154.db2.gz BNXNEBJQOUNOAV-HNNXBMFYSA-N 0 0 331.353 2.624 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)c1C ZINC000593665926 479416929 /nfs/dbraw/zinc/41/69/29/479416929.db2.gz OACXJYDGDHZNHL-CYBMUJFWSA-N 0 0 346.355 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593665875 479417046 /nfs/dbraw/zinc/41/70/46/479417046.db2.gz MJHHIMGCFHSQPM-ZDUSSCGKSA-N 0 0 346.355 2.631 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2[C@H](C)C[C@@H]2C)c1 ZINC000593668398 479418071 /nfs/dbraw/zinc/41/80/71/479418071.db2.gz ACZRAFPXYDNGIH-BETUJISGSA-N 0 0 328.372 2.771 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611573496 479420645 /nfs/dbraw/zinc/42/06/45/479420645.db2.gz OCUAXCLSTMYCOZ-LLVKDONJSA-N 0 0 344.314 2.837 10 5 EFBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OC(F)F)C1 ZINC000611576832 479421386 /nfs/dbraw/zinc/42/13/86/479421386.db2.gz FMMPJFKDCPRYAJ-GXFFZTMASA-N 0 0 343.330 2.625 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](OC(F)F)C1 ZINC000611578454 479423606 /nfs/dbraw/zinc/42/36/06/479423606.db2.gz FBEDIDFRQHHOKV-LLVKDONJSA-N 0 0 343.330 2.545 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](OC(F)F)C1 ZINC000611581722 479424509 /nfs/dbraw/zinc/42/45/09/479424509.db2.gz XDFHOVGCHHAXNL-LBPRGKRZSA-N 0 0 329.303 2.508 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)o1 ZINC000603747774 479425235 /nfs/dbraw/zinc/42/52/35/479425235.db2.gz KCZDHTLCKBXAFM-UHFFFAOYSA-N 0 0 338.751 2.753 10 5 EFBERN Cn1ccnc1[C@@H](NCCC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000593692096 479425816 /nfs/dbraw/zinc/42/58/16/479425816.db2.gz JDCCOUAWSREFMQ-INIZCTEOSA-N 0 0 344.415 2.560 10 5 EFBERN COCc1ccnc(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000593696209 479426240 /nfs/dbraw/zinc/42/62/40/479426240.db2.gz FMLMZODXXSXHKB-LBPRGKRZSA-N 0 0 344.371 2.965 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCO[C@H]1CC1(F)F ZINC000596787728 479427207 /nfs/dbraw/zinc/42/72/07/479427207.db2.gz KOTGCWOXRFAXEL-NSHDSACASA-N 0 0 329.303 2.757 10 5 EFBERN CCN(CC)C(=O)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000575311235 479427725 /nfs/dbraw/zinc/42/77/25/479427725.db2.gz QQAXMUIUANVZBN-UHFFFAOYSA-N 0 0 345.403 2.556 10 5 EFBERN CCOc1ccc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000611597416 479429073 /nfs/dbraw/zinc/42/90/73/479429073.db2.gz AESSSZSTUDTFRA-LLVKDONJSA-N 0 0 330.344 2.693 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H]2CC[C@@H]2C)c1 ZINC000593704427 479429404 /nfs/dbraw/zinc/42/94/04/479429404.db2.gz KOBVOZPUMVHOER-XHDPSFHLSA-N 0 0 328.372 2.676 10 5 EFBERN CC(C)CC[C@H](CO)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000599799959 479429733 /nfs/dbraw/zinc/42/97/33/479429733.db2.gz CTQAXYNQUZLYRJ-SNVBAGLBSA-N 0 0 344.799 2.749 10 5 EFBERN Cc1csc([C@H]2CN(c3nc(C)cc(C)c3[N+](=O)[O-])CCO2)n1 ZINC000611616032 479429756 /nfs/dbraw/zinc/42/97/56/479429756.db2.gz MHMDIXZPCCEOBS-GFCCVEGCSA-N 0 0 334.401 2.949 10 5 EFBERN C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618317 479430942 /nfs/dbraw/zinc/43/09/42/479430942.db2.gz QQDMRGKCRQEQLG-ZJUUUORDSA-N 0 0 344.314 2.741 10 5 EFBERN Cc1c(CNC(=O)N[C@@H]2CNc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000593708225 479431156 /nfs/dbraw/zinc/43/11/56/479431156.db2.gz PWHVIMBWKMOXGM-HNNXBMFYSA-N 0 0 340.383 2.739 10 5 EFBERN COCc1ccnc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000593725505 479435547 /nfs/dbraw/zinc/43/55/47/479435547.db2.gz NIYXTSHWTCEJLX-ZIAGYGMSSA-N 0 0 331.376 2.929 10 5 EFBERN O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596811053 479436262 /nfs/dbraw/zinc/43/62/62/479436262.db2.gz BCXBVRHWKYCSBY-XYPHTWIQSA-N 0 0 329.400 2.680 10 5 EFBERN CN(C[C@@H]1CCc2ccccc21)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596815479 479438348 /nfs/dbraw/zinc/43/83/48/479438348.db2.gz APGDSXFFJAKMSG-ZDUSSCGKSA-N 0 0 326.356 2.605 10 5 EFBERN CN(C[C@H]1CCc2ccccc21)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596815478 479438679 /nfs/dbraw/zinc/43/86/79/479438679.db2.gz APGDSXFFJAKMSG-CYBMUJFWSA-N 0 0 326.356 2.605 10 5 EFBERN O=C(NC[C@@H]1CCCCO1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829973 479442136 /nfs/dbraw/zinc/44/21/36/479442136.db2.gz OFOBVJZIJCPMSX-NSHDSACASA-N 0 0 330.344 2.834 10 5 EFBERN CC[C@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829299 479442187 /nfs/dbraw/zinc/44/21/87/479442187.db2.gz BQZAGSLEUMCSAA-NSHDSACASA-N 0 0 330.344 2.786 10 5 EFBERN O=C(NC[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830420 479442260 /nfs/dbraw/zinc/44/22/60/479442260.db2.gz TXYOHTLIEPRGDH-NSHDSACASA-N 0 0 330.344 2.691 10 5 EFBERN CO[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829047 479442567 /nfs/dbraw/zinc/44/25/67/479442567.db2.gz BXFBQDQYMPTEMC-NSHDSACASA-N 0 0 330.344 2.786 10 5 EFBERN C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCOC1 ZINC000599830018 479442633 /nfs/dbraw/zinc/44/26/33/479442633.db2.gz PCWWGRFHQCOKFW-MRXNPFEDSA-N 0 0 330.344 2.691 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000596827247 479443612 /nfs/dbraw/zinc/44/36/12/479443612.db2.gz AXEBSDZILLYJIM-ISVAXAHUSA-N 0 0 345.277 2.602 10 5 EFBERN CC1(O)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599831990 479443765 /nfs/dbraw/zinc/44/37/65/479443765.db2.gz QPTHUXZWOSQYBH-UHFFFAOYSA-N 0 0 330.344 2.522 10 5 EFBERN CCO[C@@]1(C)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833790 479444555 /nfs/dbraw/zinc/44/45/55/479444555.db2.gz AJAKJNGGKJDXOC-ZBFHGGJFSA-N 0 0 330.344 2.832 10 5 EFBERN C[C@@H](O)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835044 479445486 /nfs/dbraw/zinc/44/54/86/479445486.db2.gz SKUUKRKZRWRBLU-QMTHXVAHSA-N 0 0 330.344 2.520 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599834120 479445511 /nfs/dbraw/zinc/44/55/11/479445511.db2.gz GMXBVVNZDXZHMB-BDJLRTHQSA-N 0 0 342.355 2.832 10 5 EFBERN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1CO ZINC000599834923 479445629 /nfs/dbraw/zinc/44/56/29/479445629.db2.gz PHRZOMZZRKVASG-NEPJUHHUSA-N 0 0 344.371 2.625 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000599834123 479445689 /nfs/dbraw/zinc/44/56/89/479445689.db2.gz GMXBVVNZDXZHMB-ZBEGNZNMSA-N 0 0 342.355 2.832 10 5 EFBERN COc1ccc(NC(=O)NC[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000596831859 479445705 /nfs/dbraw/zinc/44/57/05/479445705.db2.gz LWUJDHMQMUEJHJ-NSHDSACASA-N 0 0 330.344 2.924 10 5 EFBERN O=C(NCC1CCC(O)CC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834900 479445883 /nfs/dbraw/zinc/44/58/83/479445883.db2.gz OLBOVENDKFXFLC-UHFFFAOYSA-N 0 0 344.371 2.816 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000599834055 479445902 /nfs/dbraw/zinc/44/59/02/479445902.db2.gz DVFDDIUGSRDQLF-BZNIZROVSA-N 0 0 342.355 2.786 10 5 EFBERN COCC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599833979 479445948 /nfs/dbraw/zinc/44/59/48/479445948.db2.gz CEVWXUDDTYRECQ-UHFFFAOYSA-N 0 0 330.344 2.643 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC2(C1)CCCOC2 ZINC000599835684 479446351 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2.643 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000596837284 479447586 /nfs/dbraw/zinc/44/75/86/479447586.db2.gz CQZXNKTZOAFOIG-PWSUYJOCSA-N 0 0 330.348 2.631 10 5 EFBERN O=C(NCC1=CCOCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599838050 479447783 /nfs/dbraw/zinc/44/77/83/479447783.db2.gz IMTDAOBLMVGVBW-UHFFFAOYSA-N 0 0 328.328 2.611 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000596837068 479448029 /nfs/dbraw/zinc/44/80/29/479448029.db2.gz POKAPELHZCBLAB-QGZVFWFLSA-N 0 0 333.388 2.980 10 5 EFBERN C[C@H](CCCO)CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599837468 479448150 /nfs/dbraw/zinc/44/81/50/479448150.db2.gz GBAZNCOCLKEWND-LLVKDONJSA-N 0 0 332.360 2.673 10 5 EFBERN CN(CC(C)(C)CO)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599838569 479448350 /nfs/dbraw/zinc/44/83/50/479448350.db2.gz KMOZDJCOSUBDNC-UHFFFAOYSA-N 0 0 332.360 2.625 10 5 EFBERN Cc1ccccc1C1(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000593755266 479448825 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COC(=O)c1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000611775614 479475209 /nfs/dbraw/zinc/47/52/09/479475209.db2.gz HYVWNFUMIUKBSA-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN CC(C)[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000596892845 479475991 /nfs/dbraw/zinc/47/59/91/479475991.db2.gz RVTVKOLCJXPFMU-INIZCTEOSA-N 0 0 333.388 2.802 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000596912570 479483383 /nfs/dbraw/zinc/48/33/83/479483383.db2.gz JUOVHIBUMXTFLK-NOZJJQNGSA-N 0 0 330.348 2.576 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C(=O)OC(C)(C)C)C1 ZINC000596912144 479484056 /nfs/dbraw/zinc/48/40/56/479484056.db2.gz BKRFPJUQSJCBLR-UHFFFAOYSA-N 0 0 349.387 2.963 10 5 EFBERN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593853169 479486116 /nfs/dbraw/zinc/48/61/16/479486116.db2.gz DCMVGCATHZBDAH-LBPRGKRZSA-N 0 0 325.368 2.979 10 5 EFBERN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CC[C@H]1C1CC1 ZINC000599982107 479486971 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EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@]3(CC3(F)F)C2)c1 ZINC000593885503 479496948 /nfs/dbraw/zinc/49/69/48/479496948.db2.gz FJMPZWFTRRBAIT-HNNXBMFYSA-N 0 0 340.326 2.930 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)no1 ZINC000600029388 479497467 /nfs/dbraw/zinc/49/74/67/479497467.db2.gz HEZKUQRWRIYGJD-SSDOTTSWSA-N 0 0 344.249 2.796 10 5 EFBERN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c2cc(F)ccc21 ZINC000593899097 479501934 /nfs/dbraw/zinc/50/19/34/479501934.db2.gz YVYDOKIOGQJFDP-UHFFFAOYSA-N 0 0 331.303 2.773 10 5 EFBERN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000593898246 479502404 /nfs/dbraw/zinc/50/24/04/479502404.db2.gz OKXXJMATPIHYDX-QGZVFWFLSA-N 0 0 345.330 2.638 10 5 EFBERN COc1cccc2c1OCC[C@@H]2Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618583241 479503811 /nfs/dbraw/zinc/50/38/11/479503811.db2.gz GONIGCPRHZWFOI-LBPRGKRZSA-N 0 0 340.339 2.837 10 5 EFBERN COc1ccc2c(c1)OCC[C@H]2Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584524 479504964 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CC(C)(C(=O)N1CCc2ncccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000612998737 479833095 /nfs/dbraw/zinc/83/30/95/479833095.db2.gz BTRCFHMLFAIFAL-UHFFFAOYSA-N 0 0 343.358 2.991 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ncnn1C(C)C ZINC000619577346 479833211 /nfs/dbraw/zinc/83/32/11/479833211.db2.gz ZTJHPCNDOLOECG-UHFFFAOYSA-N 0 0 331.376 2.622 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000619579274 479834733 /nfs/dbraw/zinc/83/47/33/479834733.db2.gz WLLLAEYCLAXGBX-OIISXLGYSA-N 0 0 347.415 2.844 10 5 EFBERN Cc1ccncc1N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000619589435 479836837 /nfs/dbraw/zinc/83/68/37/479836837.db2.gz PIXSTZSGSCVDTO-UHFFFAOYSA-N 0 0 339.399 2.593 10 5 EFBERN CCOc1cccc(N2CCC[C@@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000613045344 479850123 /nfs/dbraw/zinc/85/01/23/479850123.db2.gz CVDNXKCBKCYHFK-CQSZACIVSA-N 0 0 347.415 2.832 10 5 EFBERN COC(=O)c1ccc(OC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000609445038 480160538 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EFBERN C[C@H]1[C@H](C(F)(F)F)CCCN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000614150250 480207419 /nfs/dbraw/zinc/20/74/19/480207419.db2.gz NIPHZFIHIHRXJD-GZMMTYOYSA-N 0 0 333.310 2.837 10 5 EFBERN COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000609833997 480210783 /nfs/dbraw/zinc/21/07/83/480210783.db2.gz DFHLNHPOJDZBLT-NSHDSACASA-N 0 0 328.752 2.566 10 5 EFBERN Cn1c(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000609974919 480224265 /nfs/dbraw/zinc/22/42/65/480224265.db2.gz FTIWCDYSSVVUPI-NSHDSACASA-N 0 0 345.359 2.561 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2nccn2c1 ZINC000610026344 480230967 /nfs/dbraw/zinc/23/09/67/480230967.db2.gz KXQIJALOHDAITJ-UHFFFAOYSA-N 0 0 341.327 2.573 10 5 EFBERN Cc1sc(C(=O)Nc2cnn(-c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000610052582 480232115 /nfs/dbraw/zinc/23/21/15/480232115.db2.gz LWWSOKGWVPSFDC-UHFFFAOYSA-N 0 0 329.341 2.798 10 5 EFBERN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)no1 ZINC000610075225 480234107 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COc1ccccc1CN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000130241578 534067256 /nfs/dbraw/zinc/06/72/56/534067256.db2.gz ZUYSIJZVQSWLNE-UHFFFAOYSA-N 0 0 344.367 2.547 10 5 EFBERN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCCO1 ZINC000163910251 534209473 /nfs/dbraw/zinc/20/94/73/534209473.db2.gz DMCKQWLYNCBIJG-BLLLJJGKSA-N 0 0 333.388 2.836 10 5 EFBERN Cc1ccc([C@H](C)NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])o1 ZINC000160180365 534227720 /nfs/dbraw/zinc/22/77/20/534227720.db2.gz CBJQUZYIYXIJFV-LBPRGKRZSA-N 0 0 338.385 2.719 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000189714606 534329333 /nfs/dbraw/zinc/32/93/33/534329333.db2.gz YAWTWIWHTHDYJQ-AWEZNQCLSA-N 0 0 344.346 2.650 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000176766185 534341331 /nfs/dbraw/zinc/34/13/31/534341331.db2.gz AZJHISDXUBVPNB-AWEZNQCLSA-N 0 0 329.356 2.801 10 5 EFBERN CC(=O)c1ccc(N[C@@H]2CCc3nnc(C(C)C)n3C2)c([N+](=O)[O-])c1 ZINC000195314951 518387465 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CC(C)Sc1ccc([C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000103403989 519788028 /nfs/dbraw/zinc/78/80/28/519788028.db2.gz CRZBYFCPBQBTKN-NSHDSACASA-N 0 0 349.416 2.564 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H](C)C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000189085250 519835190 /nfs/dbraw/zinc/83/51/90/519835190.db2.gz WCCOVFVGFBLLPN-CYBMUJFWSA-N 0 0 347.415 2.849 10 5 EFBERN CCC1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000074483664 519855955 /nfs/dbraw/zinc/85/59/55/519855955.db2.gz YWMDIUFYOYDURO-UHFFFAOYSA-N 0 0 343.387 2.874 10 5 EFBERN CCCn1nccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078875758 519892033 /nfs/dbraw/zinc/89/20/33/519892033.db2.gz WDMWPSGOWRLMPA-UHFFFAOYSA-N 0 0 340.343 2.639 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2nccs2)C1 ZINC000153843026 534466088 /nfs/dbraw/zinc/46/60/88/534466088.db2.gz IDZQDKGLTUMAKZ-CQSZACIVSA-N 0 0 347.396 2.584 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000160566359 534472824 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2.503 10 5 EFBERN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1O ZINC000773433175 581430292 /nfs/dbraw/zinc/43/02/92/581430292.db2.gz MSQIGJVGHORBSX-SKDRFNHKSA-N 0 0 344.161 2.562 10 5 EFBERN O=C(OCc1ncccn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000773599826 581449337 /nfs/dbraw/zinc/44/93/37/581449337.db2.gz KPKKOPBVXNYEHX-UHFFFAOYSA-N 0 0 331.331 2.828 10 5 EFBERN CC[C@H](NC(=O)/C=C\c1cnc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000773831541 581467316 /nfs/dbraw/zinc/46/73/16/581467316.db2.gz WHRWLBIKGRBAFN-LZNQSLFOSA-N 0 0 342.355 2.674 10 5 EFBERN Cc1nn(CCC(=O)O[C@H](C)c2cnccc2C)c(C)c1[N+](=O)[O-] ZINC000773938978 581474528 /nfs/dbraw/zinc/47/45/28/581474528.db2.gz RANZVCSMYBXBEB-CYBMUJFWSA-N 0 0 332.360 2.806 10 5 EFBERN CC[C@@H](NC(=O)[C@@H]1CCCC12OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000774024442 581479277 /nfs/dbraw/zinc/47/92/77/581479277.db2.gz KRUUMNSVQWBQMU-LSDHHAIUSA-N 0 0 334.372 2.705 10 5 EFBERN CCOc1cccnc1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000774224527 581487608 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10 5 EFBERN Cc1c(C(=O)OC[C@H]2CCCN2CC(F)F)cccc1[N+](=O)[O-] ZINC000774656864 581496685 /nfs/dbraw/zinc/49/66/85/581496685.db2.gz GDLSLRMPVYISSX-LLVKDONJSA-N 0 0 328.315 2.790 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NCc3nnc(-c4ccccc4)[nH]3)nc2c1 ZINC000774659789 581496805 /nfs/dbraw/zinc/49/68/05/581496805.db2.gz YHDKXNGCHURSDU-UHFFFAOYSA-N 0 0 335.327 2.868 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CCC(OC[C@@H]4CCCO4)CC3)nc2c1 ZINC000774667618 581497072 /nfs/dbraw/zinc/49/70/72/581497072.db2.gz PSLQWKCVUDOGOG-AWEZNQCLSA-N 0 0 346.387 2.636 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@](O)(c4ccc(F)cc4)C3)nc2c1 ZINC000774683880 581497710 /nfs/dbraw/zinc/49/77/10/581497710.db2.gz VNXTVEDKWMPOKR-KRWDZBQOSA-N 0 0 342.330 2.708 10 5 EFBERN CCc1ccc(C(=O)O[C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000774713720 581498862 /nfs/dbraw/zinc/49/88/62/581498862.db2.gz FGMSWJAGQVTLTA-LBPRGKRZSA-N 0 0 328.315 2.653 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000774789599 581500963 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O=C(COC(=O)C1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000849978942 1250204263 /nfs/dbraw/zinc/20/42/63/1250204263.db2.gz IQQKBOMKJPFQNG-UHFFFAOYSA-N 0 0 325.267 2.756 10 5 EFBERN O=C(COC(=O)C1CC2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000849978918 1250205006 /nfs/dbraw/zinc/20/50/06/1250205006.db2.gz HFJUEEOMVNAPGW-UHFFFAOYSA-N 0 0 340.282 2.512 10 5 EFBERN Cn1ncc(C2CCC2)c1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000849989485 1250210670 /nfs/dbraw/zinc/21/06/70/1250210670.db2.gz IGZMUHXLMWNHRJ-UHFFFAOYSA-N 0 0 345.355 2.832 10 5 EFBERN COc1cc(COC(=O)c2c(C3CCC3)cnn2C)ccc1[N+](=O)[O-] ZINC000849991354 1250213200 /nfs/dbraw/zinc/21/32/00/1250213200.db2.gz HEBGQIQHKLPMCR-UHFFFAOYSA-N 0 0 345.355 2.961 10 5 EFBERN COc1cc(COC(=O)[C@@H](OC)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000850042030 1250242406 /nfs/dbraw/zinc/24/24/06/1250242406.db2.gz PLDUDXHJYZFFHB-HNNXBMFYSA-N 0 0 341.335 2.991 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C)Cc1ccco1 ZINC000850060280 1250249186 /nfs/dbraw/zinc/24/91/86/1250249186.db2.gz PTUOXTLHJAWKQS-LBPRGKRZSA-N 0 0 346.339 2.857 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1CCC1(C)C ZINC000850069781 1250260321 /nfs/dbraw/zinc/26/03/21/1250260321.db2.gz ZRWNYWRDLYILJB-NSHDSACASA-N 0 0 336.344 2.521 10 5 EFBERN CCC1(C(=O)OCCn2ccc([N+](=O)[O-])n2)CCC(F)(F)CC1 ZINC000850089062 1250271097 /nfs/dbraw/zinc/27/10/97/1250271097.db2.gz ULCMPOZEQRDFTQ-UHFFFAOYSA-N 0 0 331.319 2.940 10 5 EFBERN CC1(C)CCC[C@@](O)(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000850106895 1250282807 /nfs/dbraw/zinc/28/28/07/1250282807.db2.gz IUAIWGDBRMVITC-KRWDZBQOSA-N 0 0 335.356 2.652 10 5 EFBERN COc1cc(COC(=O)[C@@]2(O)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000850108152 1250284318 /nfs/dbraw/zinc/28/43/18/1250284318.db2.gz ITPPDKGHWMBPTI-QGZVFWFLSA-N 0 0 337.372 2.978 10 5 EFBERN COc1cc(COC(=O)Cc2cc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC000850156876 1250321066 /nfs/dbraw/zinc/32/10/66/1250321066.db2.gz QNPWKZMLRDOIPR-UHFFFAOYSA-N 0 0 332.312 2.755 10 5 EFBERN CO[C@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC1 ZINC000850174916 1250335508 /nfs/dbraw/zinc/33/55/08/1250335508.db2.gz JDWOILIVKRTDOZ-AWEZNQCLSA-N 0 0 347.327 2.503 10 5 EFBERN C[C@@](CO)(NCc1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000922306053 1265428075 /nfs/dbraw/zinc/42/80/75/1265428075.db2.gz JXFAYRARZIFRRD-KRWDZBQOSA-N 0 0 330.388 2.514 10 5 EFBERN C[C@@](CO)(NCc1nccc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000922308651 1265441128 /nfs/dbraw/zinc/44/11/28/1265441128.db2.gz ZAGUCMPHHZMLDB-IBGZPJMESA-N 0 0 341.411 2.866 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H]2CC(C)(C)CC[C@H]2O)cc1[N+](=O)[O-] ZINC001687334984 1248263058 /nfs/dbraw/zinc/26/30/58/1248263058.db2.gz OISKIFKFTOCFFE-UKRRQHHQSA-N 0 0 335.404 2.642 10 5 EFBERN CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C(\C)C1CC1 ZINC001273283523 1265474521 /nfs/dbraw/zinc/47/45/21/1265474521.db2.gz RQAVQOFEXDSHDS-WYMLVPIESA-N 0 0 331.416 2.889 10 5 EFBERN CCCN(CCNC(=O)c1ccc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001691175818 1248506198 /nfs/dbraw/zinc/50/61/98/1248506198.db2.gz PGLHMGDRWWPTSS-UHFFFAOYSA-N 0 0 330.388 2.565 10 5 EFBERN COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000850261903 1250383050 /nfs/dbraw/zinc/38/30/50/1250383050.db2.gz HVLWWXWKCFIBNF-NNYUYHANSA-N 0 0 348.355 2.520 10 5 EFBERN O=C(COC(=O)[C@H]1C[C@H]2C[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850261402 1250383308 /nfs/dbraw/zinc/38/33/08/1250383308.db2.gz QNWDUTAHXAWIEJ-MYJAWHEDSA-N 0 0 338.747 2.776 10 5 EFBERN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850263864 1250385818 /nfs/dbraw/zinc/38/58/18/1250385818.db2.gz PETWBUYMBULXDH-GDNZZTSVSA-N 0 0 329.312 2.734 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000850783694 1250617660 /nfs/dbraw/zinc/61/76/60/1250617660.db2.gz MIWJUVCFHSPXEE-BXUZGUMPSA-N 0 0 343.330 2.859 10 5 EFBERN CO[C@@H](C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C)[C@@H]1CCOC1 ZINC000850850559 1250650778 /nfs/dbraw/zinc/65/07/78/1250650778.db2.gz 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COc1cc([N+](=O)[O-])c(C(=O)N2CCc3nocc3C2)cc1SC ZINC000585122682 1277376730 /nfs/dbraw/zinc/37/67/30/1277376730.db2.gz ZXJJGKYWZVUONI-UHFFFAOYSA-N 0 0 349.368 2.512 10 5 EFBERN Cn1ccc(COc2cc(F)c(Br)cc2[N+](=O)[O-])n1 ZINC000790295575 1277403951 /nfs/dbraw/zinc/40/39/51/1277403951.db2.gz LDYPBPBXAPZENQ-UHFFFAOYSA-N 0 0 330.113 2.809 10 5 EFBERN C[C@@H](NC(=O)C(F)(F)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000790367214 1277503362 /nfs/dbraw/zinc/50/33/62/1277503362.db2.gz PHGOMEFWGPKWDR-SNVBAGLBSA-N 0 0 328.315 2.834 10 5 EFBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1cnc(OCC2CC2)cn1 ZINC000790372120 1277507648 /nfs/dbraw/zinc/50/76/48/1277507648.db2.gz ZCWQZBXRRWLYRH-UHFFFAOYSA-N 0 0 329.312 2.531 10 5 EFBERN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001136438996 1277530175 /nfs/dbraw/zinc/53/01/75/1277530175.db2.gz KXKSVEDPBCIYNH-GFCCVEGCSA-N 0 0 329.356 2.683 10 5 EFBERN CC1(C)CNC(=O)c2cn(Cc3ccc(Cl)c([N+](=O)[O-])c3)nc2C1 ZINC000871790858 1287290655 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Cc1cccc([N+](=O)[O-])c1OC(=O)c1cnnn1-c1cccc(F)c1 ZINC000790963361 1277882863 /nfs/dbraw/zinc/88/28/63/1277882863.db2.gz DVJJGDHBMXWPPE-UHFFFAOYSA-N 0 0 342.286 2.842 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000791187187 1277972376 /nfs/dbraw/zinc/97/23/76/1277972376.db2.gz YCSOCKCYZVRFBQ-YPMHNXCESA-N 0 0 344.198 2.954 10 5 EFBERN Nc1ccc(C(=O)NCc2ccncc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000791176484 1277983403 /nfs/dbraw/zinc/98/34/03/1277983403.db2.gz OMHBAALJLMHOQN-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(=O)cc[nH]c2c1 ZINC000791284150 1278028378 /nfs/dbraw/zinc/02/83/78/1278028378.db2.gz NMNMQAMDDCXQEW-YWEYNIOJSA-N 0 0 349.346 2.766 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(=O)cc[nH]c2c1 ZINC000791284148 1278028934 /nfs/dbraw/zinc/02/89/34/1278028934.db2.gz NMNMQAMDDCXQEW-XBXARRHUSA-N 0 0 349.346 2.766 10 5 EFBERN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCc1ncccn1 ZINC000791387432 1278077022 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SCYIDSYJKIYRDU-PHIMTYICSA-N 0 0 333.388 2.840 10 5 EFBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844983011 1279390135 /nfs/dbraw/zinc/39/01/35/1279390135.db2.gz FPPXLTYWXAOGAS-AOOOYVTPSA-N 0 0 347.115 2.694 10 5 EFBERN CCC[C@@H](C)[C@H](CO)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000845031889 1279405071 /nfs/dbraw/zinc/40/50/71/1279405071.db2.gz BFYNGTYPCJAFPI-YGRLFVJLSA-N 0 0 343.811 2.845 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000845031888 1279405246 /nfs/dbraw/zinc/40/52/46/1279405246.db2.gz BFYNGTYPCJAFPI-QMTHXVAHSA-N 0 0 343.811 2.845 10 5 EFBERN C/C(=C\C(=O)OC[C@H]1CN(C2CC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000845145259 1279462848 /nfs/dbraw/zinc/46/28/48/1279462848.db2.gz UWWNBTBNQHYUJR-KUCQQTCKSA-N 0 0 346.339 2.525 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C2(SC)CCC2)c1 ZINC000845159220 1279482565 /nfs/dbraw/zinc/48/25/65/1279482565.db2.gz ZBENQHDZXLLFTL-UHFFFAOYSA-N 0 0 339.369 2.710 10 5 EFBERN 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2.624 10 5 EFBERN O=C(Cc1cn2c(n1)CCCC2)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000845762829 1279822611 /nfs/dbraw/zinc/82/26/11/1279822611.db2.gz BMXGHEWQPJIMPS-UHFFFAOYSA-N 0 0 348.790 2.640 10 5 EFBERN CCOC(=O)Cc1ccc(N2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000845768772 1279826533 /nfs/dbraw/zinc/82/65/33/1279826533.db2.gz FXTSYPLWZKXRKV-OAHLLOKOSA-N 0 0 340.326 2.936 10 5 EFBERN COCc1ccnc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001144562405 1279830781 /nfs/dbraw/zinc/83/07/81/1279830781.db2.gz LLHKTOZSWCZCEO-UHFFFAOYSA-N 0 0 335.747 2.971 10 5 EFBERN Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845784552 1279844307 /nfs/dbraw/zinc/84/43/07/1279844307.db2.gz VRJFEBINSVXYPJ-LBPRGKRZSA-N 0 0 344.327 2.691 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1cn3c(n1)CCCC3)CC2 ZINC000845913653 1279910926 /nfs/dbraw/zinc/91/09/26/1279910926.db2.gz GPRPWCPVEGTRMB-UHFFFAOYSA-N 0 0 340.383 2.568 10 5 EFBERN CCON(CC1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845948127 1279931320 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2.713 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000846309090 1280110724 /nfs/dbraw/zinc/11/07/24/1280110724.db2.gz BBMDDJDVBDFBIH-UHFFFAOYSA-N 0 0 346.318 2.548 10 5 EFBERN C/C(=C/C(=O)N1CCC(C2(O)CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000846329229 1280116600 /nfs/dbraw/zinc/11/66/00/1280116600.db2.gz ZHJFXNDNUXMHRI-SEYXRHQNSA-N 0 0 330.384 2.762 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C2(O)CC2)CC1 ZINC000846329148 1280117265 /nfs/dbraw/zinc/11/72/65/1280117265.db2.gz YPBZSLJHFSBMLS-SEYXRHQNSA-N 0 0 330.384 2.762 10 5 EFBERN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872026764 1287404710 /nfs/dbraw/zinc/40/47/10/1287404710.db2.gz HIXXEJARXOMXEM-FZMZJTMJSA-N 0 0 348.378 2.651 10 5 EFBERN C[C@@H](NCCC(=O)Nc1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027097 1287404523 /nfs/dbraw/zinc/40/45/23/1287404523.db2.gz HLHCQSDTFCDOTL-LLVKDONJSA-N 0 0 332.335 2.808 10 5 EFBERN Cc1c(CC(=O)N[C@H](C)[C@@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000846399310 1280143110 /nfs/dbraw/zinc/14/31/10/1280143110.db2.gz AFXCWCHGZYARJH-AUUYWEPGSA-N 0 0 342.395 2.858 10 5 EFBERN CCCc1n[nH]c(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c1[N+](=O)[O-] ZINC000846401286 1280144309 /nfs/dbraw/zinc/14/43/09/1280144309.db2.gz APPGCTAHBGSARF-OLZOCXBDSA-N 0 0 332.763 2.705 10 5 EFBERN C[C@@]1(CCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000846402336 1280145148 /nfs/dbraw/zinc/14/51/48/1280145148.db2.gz DIXGXHLOAFEBCT-ZIAGYGMSSA-N 0 0 329.759 2.828 10 5 EFBERN C[C@@]1(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@]1(F)Cl ZINC000846402790 1280146130 /nfs/dbraw/zinc/14/61/30/1280146130.db2.gz DXVJULRPXLSLCD-OLZOCXBDSA-N 0 0 333.722 2.751 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)N2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000794373067 1280157680 /nfs/dbraw/zinc/15/76/80/1280157680.db2.gz RPBSPQDFKCREQL-UHFFFAOYSA-N 0 0 349.387 2.873 10 5 EFBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC000846425294 1280163391 /nfs/dbraw/zinc/16/33/91/1280163391.db2.gz WCZSMRLLOADOED-SCLBCKFNSA-N 0 0 328.368 2.550 10 5 EFBERN COc1cccc(Sc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])nc2)c1 ZINC000846427050 1280164155 /nfs/dbraw/zinc/16/41/55/1280164155.db2.gz QKAOSYAARPIQIX-ZIAGYGMSSA-N 0 0 345.380 2.845 10 5 EFBERN C/C(=C\C(=O)NC(C)(C)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000794396060 1280169922 /nfs/dbraw/zinc/16/99/22/1280169922.db2.gz CIFHNQYIGPOKGK-OUKQBFOZSA-N 0 0 345.399 2.515 10 5 EFBERN COC(=O)[C@@H](CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000846457977 1280175312 /nfs/dbraw/zinc/17/53/12/1280175312.db2.gz OHRBPJFRHLUJKJ-HMVFGEFZSA-N 0 0 346.383 2.704 10 5 EFBERN Cc1ccc(OC[C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000804387034 1280180582 /nfs/dbraw/zinc/18/05/82/1280180582.db2.gz MPEAPZOKTSGXGK-LBPRGKRZSA-N 0 0 331.372 2.857 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@]2(C)OCCc3sccc32)n1 ZINC001129417990 1280181314 /nfs/dbraw/zinc/18/13/14/1280181314.db2.gz IJDWSCQZADIFEL-MRXNPFEDSA-N 0 0 347.396 2.578 10 5 EFBERN Cc1ccc(N[C@@H](C)Cn2cncn2)c([N+](=O)[O-])c1Br ZINC000804393512 1280185927 /nfs/dbraw/zinc/18/59/27/1280185927.db2.gz JYKVLFBRRYIHDJ-VIFPVBQESA-N 0 0 340.181 2.758 10 5 EFBERN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872026766 1287404833 /nfs/dbraw/zinc/40/48/33/1287404833.db2.gz HIXXEJARXOMXEM-RISCZKNCSA-N 0 0 348.378 2.651 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000804448515 1280227548 /nfs/dbraw/zinc/22/75/48/1280227548.db2.gz OGRCVVKUDGXBCN-CQSZACIVSA-N 0 0 345.399 2.636 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCC1(O)Cc2ccccc2C1 ZINC000804478722 1280230264 /nfs/dbraw/zinc/23/02/64/1280230264.db2.gz KYZNSXJZLMSXQV-UHFFFAOYSA-N 0 0 326.352 2.739 10 5 EFBERN O=C(N[C@H]1CCN(c2ccccc2F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001129538597 1280254844 /nfs/dbraw/zinc/25/48/44/1280254844.db2.gz OLVOLGGARHAXOK-NSHDSACASA-N 0 0 347.321 2.882 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C(=O)NCCC2(CO)CCC2)cc1Cl ZINC000846563000 1280261516 /nfs/dbraw/zinc/26/15/16/1280261516.db2.gz NMIOOXKRBAWDGJ-UHFFFAOYSA-N 0 0 326.780 2.839 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000846577642 1280274991 /nfs/dbraw/zinc/27/49/91/1280274991.db2.gz DKNZVBGSURGLFZ-ZDUSSCGKSA-N 0 0 328.319 2.703 10 5 EFBERN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045830 1287410959 /nfs/dbraw/zinc/41/09/59/1287410959.db2.gz RQQNTHLMISYHPU-WPRPVWTQSA-N 0 0 349.284 2.548 10 5 EFBERN CC(C)(C)c1coc(CNC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC001134949735 1287411348 /nfs/dbraw/zinc/41/13/48/1287411348.db2.gz VXJHXOACYOLUQV-UHFFFAOYSA-N 0 0 333.344 2.576 10 5 EFBERN Nc1cc(NCC2([C@H](O)c3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000804566749 1280289503 /nfs/dbraw/zinc/28/95/03/1280289503.db2.gz CMMNMURKHPQYLD-QGZVFWFLSA-N 0 0 343.383 2.595 10 5 EFBERN COc1c(C(=O)N2CCC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000846583045 1280302684 /nfs/dbraw/zinc/30/26/84/1280302684.db2.gz NHTSCXGTBIDBMJ-AWEZNQCLSA-N 0 0 326.299 2.865 10 5 EFBERN Cc1ccc(N2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804623543 1280323492 /nfs/dbraw/zinc/32/34/92/1280323492.db2.gz BSXUTXAOFNPWFB-GXSJLCMTSA-N 0 0 329.194 2.873 10 5 EFBERN COc1ccc(CC(=O)Nc2ccnc(Cl)c2F)cc1[N+](=O)[O-] ZINC001129739601 1280331246 /nfs/dbraw/zinc/33/12/46/1280331246.db2.gz ITGAWOJCTTXBCD-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070644 1287419802 /nfs/dbraw/zinc/41/98/02/1287419802.db2.gz VTSVRWBOJWAOBX-COPLHBTASA-N 0 0 328.384 2.543 10 5 EFBERN C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001129773277 1280345392 /nfs/dbraw/zinc/34/53/92/1280345392.db2.gz JUPUAYKXEKTMLK-WCQYABFASA-N 0 0 343.383 2.563 10 5 EFBERN C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000747208383 1280353622 /nfs/dbraw/zinc/35/36/22/1280353622.db2.gz YNSYLZVPKHNERM-LLVKDONJSA-N 0 0 341.375 2.734 10 5 EFBERN C[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872063362 1287416888 /nfs/dbraw/zinc/41/68/88/1287416888.db2.gz VUCKTLDZDUICOK-NSHDSACASA-N 0 0 343.358 2.871 10 5 EFBERN CCCC(=O)NC1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000747208493 1280359291 /nfs/dbraw/zinc/35/92/91/1280359291.db2.gz ZHOCYXOHBWHBCE-UHFFFAOYSA-N 0 0 339.367 2.628 10 5 EFBERN C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069967 1287419552 /nfs/dbraw/zinc/41/95/52/1287419552.db2.gz AQYUBSBZCBGAQC-NSHDSACASA-N 0 0 344.408 2.742 10 5 EFBERN CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccn1C ZINC001130029925 1280416785 /nfs/dbraw/zinc/41/67/85/1280416785.db2.gz JMCACRADLQTVRF-RMKNXTFCSA-N 0 0 343.339 2.762 10 5 EFBERN Nc1ccc(C(=O)NCC[C@H]2CCc3ccccc3N2)cc1[N+](=O)[O-] ZINC000846693108 1280420971 /nfs/dbraw/zinc/42/09/71/1280420971.db2.gz FRYNJVPHAIKMBB-CQSZACIVSA-N 0 0 340.383 2.724 10 5 EFBERN Nc1ccc(C(=O)NCC[C@@H]2CCc3ccccc3N2)cc1[N+](=O)[O-] ZINC000846693107 1280421330 /nfs/dbraw/zinc/42/13/30/1280421330.db2.gz FRYNJVPHAIKMBB-AWEZNQCLSA-N 0 0 340.383 2.724 10 5 EFBERN COc1cc(OCC(=O)OC[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000806049881 1280421693 /nfs/dbraw/zinc/42/16/93/1280421693.db2.gz FESQPJZPOFCXFD-LLVKDONJSA-N 0 0 341.385 2.669 10 5 EFBERN C[C@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872086087 1287424573 /nfs/dbraw/zinc/42/45/73/1287424573.db2.gz UIHQDXCZCIMHTG-FZMZJTMJSA-N 0 0 343.358 2.972 10 5 EFBERN Cc1cnnn1-c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001130128140 1280484309 /nfs/dbraw/zinc/48/43/09/1280484309.db2.gz CPDDQSLSNHWWNT-UHFFFAOYSA-N 0 0 337.339 2.665 10 5 EFBERN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnn(C)n1 ZINC000805208769 1280488851 /nfs/dbraw/zinc/48/88/51/1280488851.db2.gz HJXJWFRYZXQPGE-UHFFFAOYSA-N 0 0 349.416 2.546 10 5 EFBERN C[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)[C@H](C)C1 ZINC001130148663 1280529266 /nfs/dbraw/zinc/52/92/66/1280529266.db2.gz IFKJEXSKHGWMKS-HSMVNMDESA-N 0 0 331.372 2.735 10 5 EFBERN C[C@H](OC(=O)c1ccc2c(n1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000846822254 1280555532 /nfs/dbraw/zinc/55/55/32/1280555532.db2.gz LUWIEJUZYQTPHJ-JTQLQIEISA-N 0 0 330.296 2.679 10 5 EFBERN Cn1ccnc1[C@@H](NC[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000872107520 1287430714 /nfs/dbraw/zinc/43/07/14/1287430714.db2.gz ZDHPSKSSSUFLMN-CVEARBPZSA-N 0 0 344.415 2.822 10 5 EFBERN COc1ccncc1COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000805431565 1280561817 /nfs/dbraw/zinc/56/18/17/1280561817.db2.gz FWLBOTZEEGLWCE-UHFFFAOYSA-N 0 0 327.296 2.837 10 5 EFBERN COc1ccccc1C1(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001130228125 1280598581 /nfs/dbraw/zinc/59/85/81/1280598581.db2.gz FEXJXJSKQPVMAP-UHFFFAOYSA-N 0 0 327.340 2.726 10 5 EFBERN CCOC(CN(CC)Cc1nc2cc([N+](=O)[O-])ccc2o1)OCC ZINC000846970007 1280641019 /nfs/dbraw/zinc/64/10/19/1280641019.db2.gz IRYLYKGMRPVAEL-UHFFFAOYSA-N 0 0 337.376 2.957 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncc(OC)n1 ZINC001130279390 1280652427 /nfs/dbraw/zinc/65/24/27/1280652427.db2.gz KEODSSGEJBELHN-UHFFFAOYSA-N 0 0 334.357 2.758 10 5 EFBERN CCNc1ccc(C(=O)Nc2ccc(C)cc2C(N)=O)cc1[N+](=O)[O-] ZINC001130299283 1280665293 /nfs/dbraw/zinc/66/52/93/1280665293.db2.gz DIYWLSJRNYAWHR-UHFFFAOYSA-N 0 0 342.355 2.686 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cncc(OC(C)C)n1 ZINC001130304553 1280678361 /nfs/dbraw/zinc/67/83/61/1280678361.db2.gz LKEREMZILKDCGU-UHFFFAOYSA-N 0 0 334.307 2.872 10 5 EFBERN Cc1ccc(-n2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)n2)cc1 ZINC001130328128 1280716410 /nfs/dbraw/zinc/71/64/10/1280716410.db2.gz YAWOVFFUOCNUGR-UHFFFAOYSA-N 0 0 325.328 2.680 10 5 EFBERN C[C@H](OCC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000805690339 1280718493 /nfs/dbraw/zinc/71/84/93/1280718493.db2.gz LENYCXAJKOVRPR-RYUDHWBXSA-N 0 0 333.344 2.710 10 5 EFBERN C[C@@H](OCC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000805690340 1280718877 /nfs/dbraw/zinc/71/88/77/1280718877.db2.gz LENYCXAJKOVRPR-VXGBXAGGSA-N 0 0 333.344 2.710 10 5 EFBERN CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccon1 ZINC001130346747 1280741779 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O=[N+]([O-])c1cccc(CS(=O)(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000871634921 1287182238 /nfs/dbraw/zinc/18/22/38/1287182238.db2.gz XCHRONYJUSRQGX-QGZVFWFLSA-N 0 0 347.392 2.824 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000814965345 1287191584 /nfs/dbraw/zinc/19/15/84/1287191584.db2.gz KYEZHWMYBYRAFH-NWANDNLSSA-N 0 0 347.331 2.530 10 5 EFBERN O=[N+]([O-])c1nc(Br)n(Cc2cc(C(F)(F)F)co2)n1 ZINC000871681099 1287203419 /nfs/dbraw/zinc/20/34/19/1287203419.db2.gz UKFIXOIMZKJWSJ-UHFFFAOYSA-N 0 0 341.043 2.609 10 5 EFBERN C/C(=C(\F)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001135245292 1287855581 /nfs/dbraw/zinc/85/55/81/1287855581.db2.gz GCRQHIJDENRTIC-FOWTUZBSSA-N 0 0 333.363 2.897 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC[C@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC001179428358 1289137413 /nfs/dbraw/zinc/13/74/13/1289137413.db2.gz SNJBHRDCLSEAKT-MFKMUULPSA-N 0 0 339.779 2.518 10 5 EFBERN Cc1c(CN2CCC(CN=S(C)(C)=O)CC2)cccc1[N+](=O)[O-] ZINC001176296085 1287932495 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ZINC000126829625 1291433355 /nfs/dbraw/zinc/43/33/55/1291433355.db2.gz MTIRAWLZHPKEMX-BYCMXARLSA-N 0 0 335.356 2.964 10 5 EFBERN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000878096478 1291492255 /nfs/dbraw/zinc/49/22/55/1291492255.db2.gz RVMXKGXUBCAYOP-WWGRRREGSA-N 0 0 330.388 2.679 10 5 EFBERN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000878096476 1291492278 /nfs/dbraw/zinc/49/22/78/1291492278.db2.gz RVMXKGXUBCAYOP-IOASZLSFSA-N 0 0 330.388 2.679 10 5 EFBERN Cc1cccc(-c2nnc(SCc3cccnc3[N+](=O)[O-])n2N)c1 ZINC001188933257 1291518339 /nfs/dbraw/zinc/51/83/39/1291518339.db2.gz AUEFCUHXJJBXTK-UHFFFAOYSA-N 0 0 342.384 2.563 10 5 EFBERN Cc1ccc(C)c(-n2cnc(=O)n2Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001189014973 1291549982 /nfs/dbraw/zinc/54/99/82/1291549982.db2.gz SZZPFZNRBHWSGF-UHFFFAOYSA-N 0 0 338.367 2.916 10 5 EFBERN O=C(Cc1ccc(F)cn1)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000795893251 1291620031 /nfs/dbraw/zinc/62/00/31/1291620031.db2.gz BENAQRIBSJBUNS-UHFFFAOYSA-N 0 0 334.303 2.684 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1ncccc1C(F)(F)F ZINC001189255579 1291637207 /nfs/dbraw/zinc/63/72/07/1291637207.db2.gz GVENKGULODAEGI-UHFFFAOYSA-N 0 0 339.229 2.965 10 5 EFBERN Cc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1 ZINC000795926333 1291682429 /nfs/dbraw/zinc/68/24/29/1291682429.db2.gz PNBWMLXENDRWBL-UHFFFAOYSA-N 0 0 346.723 2.858 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803613391 1312878707 /nfs/dbraw/zinc/87/87/07/1312878707.db2.gz APOORPBNXPMWCJ-UHFFFAOYSA-N 0 0 347.331 2.786 10 5 EFBERN Cc1c(NC(=O)[C@@H](C)OC(=O)CCC(F)F)cccc1[N+](=O)[O-] ZINC000796016445 1291906528 /nfs/dbraw/zinc/90/65/28/1291906528.db2.gz XNIBZYIWVLILCD-SECBINFHSA-N 0 0 330.287 2.819 10 5 EFBERN CC(=O)c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])nc1 ZINC001203268828 1312896924 /nfs/dbraw/zinc/89/69/24/1312896924.db2.gz VVFIZICPIHXSBO-UHFFFAOYSA-N 0 0 328.328 2.557 10 5 EFBERN O=[N+]([O-])c1cc2c(cc1OCCc1ccc3c(c1)CCO3)OCCO2 ZINC001190243294 1292076511 /nfs/dbraw/zinc/07/65/11/1292076511.db2.gz QKNWABJAETZHFH-UHFFFAOYSA-N 0 0 343.335 2.922 10 5 EFBERN CC(=O)CCCCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001190304127 1292101631 /nfs/dbraw/zinc/10/16/31/1292101631.db2.gz VFRXCPBIWCPFSW-UHFFFAOYSA-N 0 0 342.417 2.639 10 5 EFBERN Cc1ccc(COC(=O)c2cnc3c(cnn3C)c2)cc1[N+](=O)[O-] ZINC001273601590 1292167936 /nfs/dbraw/zinc/16/79/36/1292167936.db2.gz OIEVSTGOIKUKKF-UHFFFAOYSA-N 0 0 326.312 2.542 10 5 EFBERN O=C(Nc1cnnc(Cl)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001273601179 1292170504 /nfs/dbraw/zinc/17/05/04/1292170504.db2.gz BBZDKDFYBJYMRQ-UHFFFAOYSA-N 0 0 344.661 2.892 10 5 EFBERN COCCOC1CCC(C(=O)OCc2csc([N+](=O)[O-])c2)CC1 ZINC000796187090 1292361415 /nfs/dbraw/zinc/36/14/15/1292361415.db2.gz BKYOOKFLQHLYFW-UHFFFAOYSA-N 0 0 343.401 2.921 10 5 EFBERN Cc1ccc(CN(CCO)C(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000796202921 1292399003 /nfs/dbraw/zinc/39/90/03/1292399003.db2.gz 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2.938 10 5 EFBERN CC(=O)c1c(N[C@@H]2CCO[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000882434763 1293200320 /nfs/dbraw/zinc/20/03/20/1293200320.db2.gz KVUWVDNWEYJRCJ-IUODEOHRSA-N 0 0 344.371 2.863 10 5 EFBERN CN(CC(=O)N1CCC2(CCCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000882436608 1293200565 /nfs/dbraw/zinc/20/05/65/1293200565.db2.gz ZBXGRITXTKRIBN-UHFFFAOYSA-N 0 0 347.415 2.593 10 5 EFBERN CC(=O)c1c(NC[C@H]2CCCN2CC(F)F)cccc1[N+](=O)[O-] ZINC000882650586 1293278527 /nfs/dbraw/zinc/27/85/27/1293278527.db2.gz DBBGVHSDKWAVAM-LLVKDONJSA-N 0 0 327.331 2.939 10 5 EFBERN COC(=O)[C@@H]1[C@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1(F)F ZINC000882876143 1293362059 /nfs/dbraw/zinc/36/20/59/1293362059.db2.gz KREWDAIEIBQMQF-XVKPBYJWSA-N 0 0 343.311 2.671 10 5 EFBERN CC(=O)c1c(NC[C@@H](O)C(F)(F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000882976535 1293412898 /nfs/dbraw/zinc/41/28/98/1293412898.db2.gz GARGRLZMLJRMAU-SECBINFHSA-N 0 0 342.220 2.768 10 5 EFBERN Cc1cc(C)cc(CS(=O)(=O)Oc2cc(C=O)ccc2[N+](=O)[O-])c1 ZINC000800036083 1293892125 /nfs/dbraw/zinc/89/21/25/1293892125.db2.gz LFGAFAHZVQYDQK-UHFFFAOYSA-N 0 0 349.364 2.933 10 5 EFBERN COc1ccc(CC(=O)OC[C@H](F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000800159806 1293935669 /nfs/dbraw/zinc/93/56/69/1293935669.db2.gz ADHUALNQWWSFAK-JTQLQIEISA-N 0 0 325.214 2.590 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3cccc(C)c3F)no2)n1 ZINC000867160623 1294144256 /nfs/dbraw/zinc/14/42/56/1294144256.db2.gz NYCUTPSZPJUMDK-UHFFFAOYSA-N 0 0 331.307 2.900 10 5 EFBERN COC(=O)[C@@H]1OCC[C@@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884573176 1294179670 /nfs/dbraw/zinc/17/96/70/1294179670.db2.gz FHNSXRLRIAWOQS-PRHODGIISA-N 0 0 348.277 2.604 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000867222142 1294436534 /nfs/dbraw/zinc/43/65/34/1294436534.db2.gz QFELZKCORCMHFL-RWMBFGLXSA-N 0 0 334.372 2.751 10 5 EFBERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000867222141 1294436711 /nfs/dbraw/zinc/43/67/11/1294436711.db2.gz QFELZKCORCMHFL-FRRDWIJNSA-N 0 0 334.372 2.751 10 5 EFBERN Cc1coc(C)c1C(=O)NC/C=C\CNCc1csc([N+](=O)[O-])c1 ZINC001273996487 1294485045 /nfs/dbraw/zinc/48/50/45/1294485045.db2.gz DAWXEEKMUPIYSN-ARJAWSKDSA-N 0 0 349.412 2.942 10 5 EFBERN Cc1coc(C)c1C(=O)NC/C=C/CNCc1csc([N+](=O)[O-])c1 ZINC001273996488 1294485244 /nfs/dbraw/zinc/48/52/44/1294485244.db2.gz DAWXEEKMUPIYSN-ONEGZZNKSA-N 0 0 349.412 2.942 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H](OC(F)F)C3)cc2N1 ZINC000781396881 1294516530 /nfs/dbraw/zinc/51/65/30/1294516530.db2.gz TYTYZJRJVUHWBT-JTQLQIEISA-N 0 0 341.314 2.688 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1O ZINC000867236330 1294550071 /nfs/dbraw/zinc/55/00/71/1294550071.db2.gz YTHDPNFWOOHFHW-GXTWGEPZSA-N 0 0 338.379 2.532 10 5 EFBERN C/C(=C/C(=O)NCc1cc(C2CC2)n(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000885907950 1294552234 /nfs/dbraw/zinc/55/22/34/1294552234.db2.gz VRFIAZRBRQTBFS-XFXZXTDPSA-N 0 0 340.383 2.925 10 5 EFBERN CC(C)CCC(=O)N(C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001671095938 1294677259 /nfs/dbraw/zinc/67/72/59/1294677259.db2.gz MBQNMHIYHWJGKC-UHFFFAOYSA-N 0 0 325.434 2.735 10 5 EFBERN Cc1cc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cs1 ZINC000803758233 1313102693 /nfs/dbraw/zinc/10/26/93/1313102693.db2.gz OAFBCGGHHFPIJQ-CQSZACIVSA-N 0 0 346.364 2.927 10 5 EFBERN CC1(C)C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000751799189 1294920781 /nfs/dbraw/zinc/92/07/81/1294920781.db2.gz BFLMIUPXRJZCMK-VIFPVBQESA-N 0 0 326.736 2.776 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198686764 1295202203 /nfs/dbraw/zinc/20/22/03/1295202203.db2.gz XNPKXPVBNREFGR-GDBMZVCRSA-N 0 0 347.415 2.875 10 5 EFBERN Cc1cc(C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)[nH]n1 ZINC001152577480 1295442939 /nfs/dbraw/zinc/44/29/39/1295442939.db2.gz DATCDYHOZSWKBN-UHFFFAOYSA-N 0 0 332.335 2.785 10 5 EFBERN COC1(CS(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000867307658 1295463426 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ZINC000853915132 1300337237 /nfs/dbraw/zinc/33/72/37/1300337237.db2.gz SMFAFEIUCJYXLW-UHFFFAOYSA-N 0 0 326.255 2.812 10 5 EFBERN Cc1noc(COC(=O)c2ccn(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000853916834 1300339530 /nfs/dbraw/zinc/33/95/30/1300339530.db2.gz PXFXCEDALFHSIJ-UHFFFAOYSA-N 0 0 334.332 2.950 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H]3COC[C@H]3C2)c(Br)c1 ZINC000853933368 1300348718 /nfs/dbraw/zinc/34/87/18/1300348718.db2.gz BJJKBWLWRGILKN-VHSXEESVSA-N 0 0 327.178 2.830 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3COC[C@@H]3C2)cc1Cl ZINC000853933811 1300350007 /nfs/dbraw/zinc/35/00/07/1300350007.db2.gz JYQNTVAQJXXNCY-UWVGGRQHSA-N 0 0 340.763 2.508 10 5 EFBERN CC(C)NC(=O)[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000853962855 1300365355 /nfs/dbraw/zinc/36/53/55/1300365355.db2.gz MPTFFBULUGNSEY-JTQLQIEISA-N 0 0 327.331 2.614 10 5 EFBERN COc1cc(N2CCC[C@H](C(=O)NC(C)C)C2)c([N+](=O)[O-])cc1C ZINC000853962770 1300366084 /nfs/dbraw/zinc/36/60/84/1300366084.db2.gz LEMOIVHJXRPSJP-ZDUSSCGKSA-N 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344.327 2.740 10 5 EFBERN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccccn1 ZINC000855179519 1300825630 /nfs/dbraw/zinc/82/56/30/1300825630.db2.gz MPDHXSSRHSQREP-NSHDSACASA-N 0 0 346.362 2.728 10 5 EFBERN CC(C)CCc1nnc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000855189483 1300828394 /nfs/dbraw/zinc/82/83/94/1300828394.db2.gz FMYAMBICBGSHDI-UHFFFAOYSA-N 0 0 335.389 2.869 10 5 EFBERN Cc1c(C(=O)OCC(=O)[C@@H]2Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000795357810 1300844656 /nfs/dbraw/zinc/84/46/56/1300844656.db2.gz YSRVRDXYOPPDCP-OAHLLOKOSA-N 0 0 325.320 2.969 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)[C@H]1Cc2ccccc21 ZINC000795363838 1300848474 /nfs/dbraw/zinc/84/84/74/1300848474.db2.gz IAQQJQGETLYTOZ-AWEZNQCLSA-N 0 0 341.319 2.669 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000855281833 1300883696 /nfs/dbraw/zinc/88/36/96/1300883696.db2.gz DPRSNXKSZOXSPY-ZDUSSCGKSA-N 0 0 335.404 2.596 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCO[C@](C)(C3CC3)C2)c1F 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WMDOCFIOVPHWPH-URBCHYCLSA-N 0 0 343.387 2.562 10 5 EFBERN CC(C)n1cc2ccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)cc2n1 ZINC001160848390 1311796032 /nfs/dbraw/zinc/79/60/32/1311796032.db2.gz BWQQRIWBOGBFPF-UHFFFAOYSA-N 0 0 340.343 2.755 10 5 EFBERN COc1cc(F)cc(C[C@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC001161535170 1311909761 /nfs/dbraw/zinc/90/97/61/1311909761.db2.gz JJPVVOIDGWITLR-JTQLQIEISA-N 0 0 347.346 2.686 10 5 EFBERN CCC(C)(C)[C@H](O)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001161573948 1311919476 /nfs/dbraw/zinc/91/94/76/1311919476.db2.gz WHHOPIFFLOMEQN-CYBMUJFWSA-N 0 0 332.360 2.721 10 5 EFBERN COc1cc([N+](=O)[O-])cn(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1=O ZINC000902613265 1311939642 /nfs/dbraw/zinc/93/96/42/1311939642.db2.gz XIMCQTGJHLQMII-TZMCWYRMSA-N 0 0 336.294 2.814 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CSc3ccccc3O2)n1 ZINC001277313709 1311970918 /nfs/dbraw/zinc/97/09/18/1311970918.db2.gz DFNWCXHPBROLCY-GFCCVEGCSA-N 0 0 345.380 2.581 10 5 EFBERN Cc1nn(CN2CC[C@H](OC(F)F)C2)c2cc([N+](=O)[O-])ccc12 ZINC000802747531 1311984518 /nfs/dbraw/zinc/98/45/18/1311984518.db2.gz OKEPTLWAPKSQFC-NSHDSACASA-N 0 0 326.303 2.524 10 5 EFBERN O=[N+]([O-])c1cc2cnn(CN3CC[C@H](OC(F)F)C3)c2c(Cl)c1 ZINC000802747081 1311985559 /nfs/dbraw/zinc/98/55/59/1311985559.db2.gz ZIZUDWWMDYDRNT-JTQLQIEISA-N 0 0 346.721 2.869 10 5 EFBERN Cc1ccc(/C=C/S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000802754755 1311991256 /nfs/dbraw/zinc/99/12/56/1311991256.db2.gz GFBGIPHSEBJKMU-MDZDMXLPSA-N 0 0 333.369 2.735 10 5 EFBERN Cc1c(CC(=O)OC[C@H]2CCCN2CC(F)F)cccc1[N+](=O)[O-] ZINC000802769528 1312000821 /nfs/dbraw/zinc/00/08/21/1312000821.db2.gz BEVCYLZCTCDRPE-CYBMUJFWSA-N 0 0 342.342 2.718 10 5 EFBERN CCN(CC)C(=O)CN(C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001161929803 1312006392 /nfs/dbraw/zinc/00/63/92/1312006392.db2.gz NXCMYHPQOLJGPG-UHFFFAOYSA-N 0 0 333.310 2.918 10 5 EFBERN C[C@H]1Oc2ccc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2NC1=O ZINC001162031746 1312035537 /nfs/dbraw/zinc/03/55/37/1312035537.db2.gz BWPVGJKUFHXHFF-MRVPVSSYSA-N 0 0 339.311 2.934 10 5 EFBERN CCOC(=O)[C@@H](CC)[C@H](C)OC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000802801095 1312038289 /nfs/dbraw/zinc/03/82/89/1312038289.db2.gz SGNJDIPAOXWMRZ-JSGCOSHPSA-N 0 0 337.372 2.967 10 5 EFBERN CC(C)N1C[C@@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1=O ZINC001162361744 1312094130 /nfs/dbraw/zinc/09/41/30/1312094130.db2.gz ZGUGFPKXOAGFOZ-NSHDSACASA-N 0 0 348.790 2.640 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(COCCO)cc1 ZINC001162567537 1312125911 /nfs/dbraw/zinc/12/59/11/1312125911.db2.gz BSNQECPPYUABQB-BJMVGYQFSA-N 0 0 342.351 2.756 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(COCCO)cc1 ZINC001162574305 1312127196 /nfs/dbraw/zinc/12/71/96/1312127196.db2.gz IBYFYZARPVIWGS-UHFFFAOYSA-N 0 0 348.330 2.804 10 5 EFBERN COc1ccccc1[C@]1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162598601 1312132881 /nfs/dbraw/zinc/13/28/81/1312132881.db2.gz WESSRXWJSDMYEC-WMZOPIPTSA-N 0 0 341.367 2.844 10 5 EFBERN CC(C)c1ccc(C(=O)NCc2nc(C(F)F)no2)cc1[N+](=O)[O-] ZINC001162628897 1312139679 /nfs/dbraw/zinc/13/96/79/1312139679.db2.gz BMPATXNMFATERQ-UHFFFAOYSA-N 0 0 340.286 2.969 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001162654416 1312143887 /nfs/dbraw/zinc/14/38/87/1312143887.db2.gz HXPPDGLQRDQEKF-DOTOQJQBSA-N 0 0 330.315 2.727 10 5 EFBERN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000802950955 1312153823 /nfs/dbraw/zinc/15/38/23/1312153823.db2.gz BRAVEPREOJJOOQ-KGLIPLIRSA-N 0 0 345.355 2.581 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(=O)[nH]2)cc1SC ZINC001162748815 1312167079 /nfs/dbraw/zinc/16/70/79/1312167079.db2.gz UMGZNYFPSRUNLE-UHFFFAOYSA-N 0 0 349.368 2.987 10 5 EFBERN O=C(NC[C@H]1CC[C@H](C(F)(F)F)O1)Nc1cccc([N+](=O)[O-])c1 ZINC000902872089 1312169345 /nfs/dbraw/zinc/16/93/45/1312169345.db2.gz CNHMMGQNICQOLJ-GHMZBOCLSA-N 0 0 333.266 2.826 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[C@@H](CO)CC1 ZINC001162780913 1312175440 /nfs/dbraw/zinc/17/54/40/1312175440.db2.gz HXOBHEPPMJQWAR-AOOOYVTPSA-N 0 0 342.779 2.998 10 5 EFBERN C[C@H](C[C@H]1CCOC1)Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001162791370 1312177340 /nfs/dbraw/zinc/17/73/40/1312177340.db2.gz BJSSUMDUFJWUSS-GHMZBOCLSA-N 0 0 346.343 2.700 10 5 EFBERN COC(=O)[C@@H](CC1CCCCC1)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000803040360 1312222603 /nfs/dbraw/zinc/22/26/03/1312222603.db2.gz UJJYLGOTRAMUOD-CQSZACIVSA-N 0 0 338.360 2.602 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](CCO)c1ccccc1F ZINC001163033284 1312230134 /nfs/dbraw/zinc/23/01/34/1312230134.db2.gz MPNQMMBBCPHSBD-CGQZWFTASA-N 0 0 344.342 2.987 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCCOC(F)(F)F)c2c1 ZINC001163055560 1312233611 /nfs/dbraw/zinc/23/36/11/1312233611.db2.gz ZVTWVIIULGZNCZ-UHFFFAOYSA-N 0 0 331.250 2.522 10 5 EFBERN COc1ccc(Cn2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])n2)cc1 ZINC001163112891 1312243833 /nfs/dbraw/zinc/24/38/33/1312243833.db2.gz OITYQRJUARLKEL-UHFFFAOYSA-N 0 0 341.327 2.692 10 5 EFBERN CN(Cc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001163160627 1312253527 /nfs/dbraw/zinc/25/35/27/1312253527.db2.gz YGLPTFRPYZYCAW-UHFFFAOYSA-N 0 0 337.339 2.580 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc2[nH]cnc21 ZINC001163350531 1312294347 /nfs/dbraw/zinc/29/43/47/1312294347.db2.gz MKAJJCZERKCRLW-UHFFFAOYSA-N 0 0 332.266 2.679 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1nccc2cccnc21 ZINC001163355183 1312295664 /nfs/dbraw/zinc/29/56/64/1312295664.db2.gz RGHKSYJJHBOMIO-UHFFFAOYSA-N 0 0 344.277 2.746 10 5 EFBERN O=C(Nc1ccnc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001163400723 1312304726 /nfs/dbraw/zinc/30/47/26/1312304726.db2.gz VFJAGRDAYHOTDJ-UHFFFAOYSA-N 0 0 339.311 2.544 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c[nH]nc1Br ZINC001163449357 1312314743 /nfs/dbraw/zinc/31/47/43/1312314743.db2.gz ULEGWNQVXQKHPJ-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cnc(Cl)c(F)c1 ZINC000803185328 1312341746 /nfs/dbraw/zinc/34/17/46/1312341746.db2.gz OACZYFQIJNMYCH-UHFFFAOYSA-N 0 0 339.710 2.591 10 5 EFBERN Cc1c(Br)cccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001163678018 1312361990 /nfs/dbraw/zinc/36/19/90/1312361990.db2.gz QTTPDIVBLNJAEJ-UHFFFAOYSA-N 0 0 338.161 2.924 10 5 EFBERN C/C(=C\C(=O)N[C@H](c1ncon1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000803214510 1312376797 /nfs/dbraw/zinc/37/67/97/1312376797.db2.gz CSFGVEQGFZJGQU-SHQCLWGWSA-N 0 0 330.344 2.895 10 5 EFBERN Cc1sc(C)c(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1C ZINC000903124148 1312378913 /nfs/dbraw/zinc/37/89/13/1312378913.db2.gz STRKFMXDXBRDTL-UHFFFAOYSA-N 0 0 341.414 2.802 10 5 EFBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ncon1)C(C)C ZINC000803217185 1312379265 /nfs/dbraw/zinc/37/92/65/1312379265.db2.gz UZWPVDFHDWGGRX-MSKHEQNASA-N 0 0 330.344 2.895 10 5 EFBERN COC(=O)/C=C\c1ccc(NCc2ccnc(F)c2)c([N+](=O)[O-])c1 ZINC001163831416 1312391402 /nfs/dbraw/zinc/39/14/02/1312391402.db2.gz PILWQPXORTWPPS-HYXAFXHYSA-N 0 0 331.303 2.927 10 5 EFBERN CCN1[C@H](C)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001163884423 1312402062 /nfs/dbraw/zinc/40/20/62/1312402062.db2.gz GFZXTVPUJCMDIY-PHIMTYICSA-N 0 0 325.796 2.803 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(Br)cn1 ZINC001163946506 1312412539 /nfs/dbraw/zinc/41/25/39/1312412539.db2.gz HCOLXQZRHHCPMX-UHFFFAOYSA-N 0 0 343.568 2.835 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2noc3ccc(F)cc23)n1 ZINC001163947325 1312412708 /nfs/dbraw/zinc/41/27/08/1312412708.db2.gz SLHBOILXPGPHDF-UHFFFAOYSA-N 0 0 346.274 2.669 10 5 EFBERN CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)Cc2cccnc21 ZINC001163974754 1312418792 /nfs/dbraw/zinc/41/87/92/1312418792.db2.gz QIGHAHIKBJYCAI-UHFFFAOYSA-N 0 0 335.367 2.994 10 5 EFBERN CN(Cc1cscc1Br)c1nn(C)cc1[N+](=O)[O-] ZINC001164029378 1312432240 /nfs/dbraw/zinc/43/22/40/1312432240.db2.gz DVQZZYGIYREVBE-UHFFFAOYSA-N 0 0 331.195 2.789 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1ccc2c(c1)OC(F)(F)O2 ZINC000803266195 1312440699 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EFBERN CC(C)OC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001164170423 1312461017 /nfs/dbraw/zinc/46/10/17/1312461017.db2.gz PVYKGTBPLATIPG-UHFFFAOYSA-N 0 0 337.332 2.671 10 5 EFBERN C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001164196018 1312465700 /nfs/dbraw/zinc/46/57/00/1312465700.db2.gz XFKFNYRXFHKVEA-BLLLJJGKSA-N 0 0 340.383 2.861 10 5 EFBERN O=[N+]([O-])c1c(NCCc2c(F)cc(O)cc2F)nc2sccn21 ZINC001164211880 1312469530 /nfs/dbraw/zinc/46/95/30/1312469530.db2.gz GAXYBZYDJNXCSN-UHFFFAOYSA-N 0 0 340.311 2.942 10 5 EFBERN COC(=O)Cc1ccc(NCc2c[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001164221449 1312471714 /nfs/dbraw/zinc/47/17/14/1312471714.db2.gz YLKPCEOFKGPWKU-UHFFFAOYSA-N 0 0 332.360 2.769 10 5 EFBERN CC[C@H](NC(=O)N[C@@H](C)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001231411930 1312492205 /nfs/dbraw/zinc/49/22/05/1312492205.db2.gz HKIHNDKSKQFUOC-UWJYBYFXSA-N 0 0 349.309 2.657 10 5 EFBERN CC[C@H](NC(=O)NC1CC(CC(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC001231411837 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2.837 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccccc2CC(C)C)c1 ZINC001165531542 1312644142 /nfs/dbraw/zinc/64/41/42/1312644142.db2.gz QSEBBCNNZBFJBE-UHFFFAOYSA-N 0 0 344.367 2.790 10 5 EFBERN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cn2ccnc2s1 ZINC000803455867 1312647790 /nfs/dbraw/zinc/64/77/90/1312647790.db2.gz UYUMFRBIYGRMTH-UHFFFAOYSA-N 0 0 339.279 2.939 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCc1ccns1 ZINC001165594338 1312650739 /nfs/dbraw/zinc/65/07/39/1312650739.db2.gz WLJMPRYPQZBAQT-UHFFFAOYSA-N 0 0 328.353 2.518 10 5 EFBERN Cc1cc(F)cc(C(=O)NN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC001165595176 1312650803 /nfs/dbraw/zinc/65/08/03/1312650803.db2.gz NGUJQYIXMICJSM-UHFFFAOYSA-N 0 0 329.331 2.745 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165616016 1312653348 /nfs/dbraw/zinc/65/33/48/1312653348.db2.gz WOZHIADNKLVQBP-UKRRQHHQSA-N 0 0 344.371 2.833 10 5 EFBERN Cc1cc(-c2nnn(Cc3ccc(F)cc3[N+](=O)[O-])n2)ccc1F ZINC001165614298 1312653478 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2.933 10 5 EFBERN CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001251126578 1315324473 /nfs/dbraw/zinc/32/44/73/1315324473.db2.gz SDNVDIHZUMAIDP-LRDDRELGSA-N 0 0 333.388 2.660 10 5 EFBERN CC(C)c1nnc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001251519718 1315353161 /nfs/dbraw/zinc/35/31/61/1315353161.db2.gz SAYZIXJLIQKZFI-VIFPVBQESA-N 0 0 335.389 2.956 10 5 EFBERN CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001251737738 1315372806 /nfs/dbraw/zinc/37/28/06/1315372806.db2.gz BXIXLQZEHQUFDJ-FUHWJXTLSA-N 0 0 346.431 2.861 10 5 EFBERN COc1cccc(OC)c1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001278644242 1315412332 /nfs/dbraw/zinc/41/23/32/1315412332.db2.gz PPZQKEVWEZUXPP-UHFFFAOYSA-N 0 0 346.339 2.551 10 5 EFBERN COc1ccc(C[C@H](C)N(C)C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001252587792 1315471700 /nfs/dbraw/zinc/47/17/00/1315471700.db2.gz BYFOSRAIJVKFOZ-LBPRGKRZSA-N 0 0 343.383 2.889 10 5 EFBERN Cn1ncc(Cl)c1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001278736729 1315629522 /nfs/dbraw/zinc/62/95/22/1315629522.db2.gz ZYKRVBFKBXOELW-UHFFFAOYSA-N 0 0 331.719 2.782 10 5 EFBERN CCOc1cc(NC(=O)[C@@H](C)Oc2cccnc2)ccc1[N+](=O)[O-] ZINC001278804627 1315742554 /nfs/dbraw/zinc/74/25/54/1315742554.db2.gz ACDKSPDVYXZHLG-LLVKDONJSA-N 0 0 331.328 2.795 10 5 EFBERN CO[C@]12CCC[C@@]1(NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC001255292227 1315801186 /nfs/dbraw/zinc/80/11/86/1315801186.db2.gz IMXIBGSTMJELSX-JLZZUVOBSA-N 0 0 349.387 2.641 10 5 EFBERN CCNc1cc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001255330569 1315804339 /nfs/dbraw/zinc/80/43/39/1315804339.db2.gz HLFSENCPZPTUOT-LBPRGKRZSA-N 0 0 343.387 2.982 10 5 EFBERN COc1cccc(F)c1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001255905339 1315878820 /nfs/dbraw/zinc/87/88/20/1315878820.db2.gz MVIQTUOUGTWRHW-UHFFFAOYSA-N 0 0 345.330 2.968 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC001278915393 1315909824 /nfs/dbraw/zinc/90/98/24/1315909824.db2.gz MSRSPOGJDMDOGC-UHFFFAOYSA-N 0 0 342.355 2.923 10 5 EFBERN O=C(Nc1cnn2ccccc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001279095969 1316147632 /nfs/dbraw/zinc/14/76/32/1316147632.db2.gz VZBZWINEMAWCFL-UHFFFAOYSA-N 0 0 348.322 2.681 10 5 EFBERN C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001261260142 1316399324 /nfs/dbraw/zinc/39/93/24/1316399324.db2.gz DNGNHUWJURMFQX-GDBMZVCRSA-N 0 0 337.395 2.523 10 5 EFBERN Cc1c(CNC(=O)NC2CC3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC001261641005 1316422235 /nfs/dbraw/zinc/42/22/35/1316422235.db2.gz UPDVOGZFJSVUND-UHFFFAOYSA-N 0 0 325.315 2.890 10 5 EFBERN CCOC(=O)c1ccnc(NC2CC3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC001261658685 1316423772 /nfs/dbraw/zinc/42/37/72/1316423772.db2.gz MXDXBQFEHVXPCJ-UHFFFAOYSA-N 0 0 327.287 2.766 10 5 EFBERN Cc1cc(OCC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001261749491 1316428696 /nfs/dbraw/zinc/42/86/96/1316428696.db2.gz IKOKHAPHQZSZHE-KGYLQXTDSA-N 0 0 340.326 2.832 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001261750285 1316428794 /nfs/dbraw/zinc/42/87/94/1316428794.db2.gz WTHHZTGOPCFQJS-LMKPVCQUSA-N 0 0 335.310 2.709 10 5 EFBERN Cc1c([C@H](C)NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cnn1C ZINC001261847322 1316433422 /nfs/dbraw/zinc/43/34/22/1316433422.db2.gz RFXCOXVBVKTRMK-LBPRGKRZSA-N 0 0 342.399 2.936 10 5 EFBERN CC1(C)CO[C@@H](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001262188198 1316451859 /nfs/dbraw/zinc/45/18/59/1316451859.db2.gz JUAZYDWWVFLQEQ-ZDUSSCGKSA-N 0 0 336.388 2.685 10 5 EFBERN C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C)CCO1 ZINC001262822259 1316494245 /nfs/dbraw/zinc/49/42/45/1316494245.db2.gz RSXHUQQYGMBXEM-CHWSQXEVSA-N 0 0 331.372 2.575 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2cc3c([nH]2)CCC3)ccc1[N+](=O)[O-] ZINC001263220575 1316522715 /nfs/dbraw/zinc/52/27/15/1316522715.db2.gz JISBCPRLWFQTSX-UHFFFAOYSA-N 0 0 342.399 2.586 10 5 EFBERN C[C@H]1CO[C@@H](C(=O)Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001263529614 1316548189 /nfs/dbraw/zinc/54/81/89/1316548189.db2.gz LPAQRPKFTNUYCS-RDDDGLTNSA-N 0 0 330.134 2.688 10 5 EFBERN CC[C@@H]1OCC[C@H]1C(=O)O[C@@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-] ZINC001263535449 1316548770 /nfs/dbraw/zinc/54/87/70/1316548770.db2.gz XSNWOZXPAOSABA-WAZAZEMKSA-N 0 0 325.336 2.890 10 5 EFBERN CCc1c(C(=O)O[C@@H](CC)C[N+](=O)[O-])cnn1Cc1ccccc1 ZINC001263624227 1316551907 /nfs/dbraw/zinc/55/19/07/1316551907.db2.gz OKVQYGRNZZFVJC-AWEZNQCLSA-N 0 0 331.372 2.706 10 5 EFBERN Cc1cc(C)cc(CN(C)c2nnc(C[N+](=O)[O-])n2CC2CC2)c1 ZINC001263676432 1316555185 /nfs/dbraw/zinc/55/51/85/1316555185.db2.gz NZKNJXYWDBMREE-UHFFFAOYSA-N 0 0 329.404 2.718 10 5 EFBERN O=[N+]([O-])Cc1nnc(N2CCC[C@@H](C3CCCC3)C2)n1CC1CC1 ZINC001263676357 1316555260 /nfs/dbraw/zinc/55/52/60/1316555260.db2.gz MKHMVVAYBLWZFR-OAHLLOKOSA-N 0 0 333.436 2.871 10 5 EFBERN Cc1cc(N(C)CCNC(=O)c2cnn(C(C)C)c2)ccc1[N+](=O)[O-] ZINC001263679323 1316555432 /nfs/dbraw/zinc/55/54/32/1316555432.db2.gz OLGCYBYOFBEKMA-UHFFFAOYSA-N 0 0 345.403 2.547 10 5 EFBERN COc1ccsc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001263679246 1316555502 /nfs/dbraw/zinc/55/55/02/1316555502.db2.gz KDZOHQFKALNDSD-UHFFFAOYSA-N 0 0 335.385 2.531 10 5 EFBERN CC(C)C1(O)CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001263744941 1316559343 /nfs/dbraw/zinc/55/93/43/1316559343.db2.gz SYWFUQSZIFZGRE-CYBMUJFWSA-N 0 0 335.404 2.848 10 5 EFBERN CNc1ccc(C(=O)N2CCCC[C@@]23CCCOC3)cc1[N+](=O)[O-] ZINC001264013737 1316580550 /nfs/dbraw/zinc/58/05/50/1316580550.db2.gz DXWDHKIEELHQST-KRWDZBQOSA-N 0 0 333.388 2.812 10 5 EFBERN O=C(NCCC1=CCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001264095767 1316588763 /nfs/dbraw/zinc/58/87/63/1316588763.db2.gz CKPWIPRZPSBIGF-UHFFFAOYSA-N 0 0 341.371 2.796 10 5 EFBERN CCNC(=O)c1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001264170150 1316594501 /nfs/dbraw/zinc/59/45/01/1316594501.db2.gz KCESCLKIIVJXSL-UHFFFAOYSA-N 0 0 345.330 2.665 10 5 EFBERN COC(=O)c1coc(/C=C\C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC001264207660 1316601166 /nfs/dbraw/zinc/60/11/66/1316601166.db2.gz KCAJBTKIVNCEBN-SREVYHEPSA-N 0 0 330.296 2.935 10 5 EFBERN COc1cccn2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c12 ZINC001264212257 1316601600 /nfs/dbraw/zinc/60/16/00/1316601600.db2.gz YYFNCAFRGIHEOD-UHFFFAOYSA-N 0 0 342.311 2.512 10 5 EFBERN Cn1nc(-c2ccncc2)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001264216237 1316601613 /nfs/dbraw/zinc/60/16/13/1316601613.db2.gz VYFKTHFUDFZZCW-UHFFFAOYSA-N 0 0 338.323 2.747 10 5 EFBERN O=C(C[C@@H](n1cccn1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC001264212752 1316601667 /nfs/dbraw/zinc/60/16/67/1316601667.db2.gz VEVKDPKLJPSYHY-LLVKDONJSA-N 0 0 328.250 2.924 10 5 EFBERN COc1ccc(NC(=O)C[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001264212019 1316601689 /nfs/dbraw/zinc/60/16/89/1316601689.db2.gz NDAOQTVWEBYHQB-CYBMUJFWSA-N 0 0 328.324 2.936 10 5 EFBERN O=C(c1ccc(OC(F)F)nc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001264286451 1316602754 /nfs/dbraw/zinc/60/27/54/1316602754.db2.gz KSIDIDNMRJDFRV-UHFFFAOYSA-N 0 0 335.266 2.794 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(=O)Nc2ccccc21 ZINC001264318837 1316603860 /nfs/dbraw/zinc/60/38/60/1316603860.db2.gz MKBUCFMIWQJABL-UHFFFAOYSA-N 0 0 325.324 2.811 10 5 EFBERN CC(=O)Nc1cccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001264319018 1316603939 /nfs/dbraw/zinc/60/39/39/1316603939.db2.gz SYLQZAZRBTYWMY-UHFFFAOYSA-N 0 0 339.351 2.685 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001318610956 1328652171 /nfs/dbraw/zinc/65/21/71/1328652171.db2.gz NZQGSBUDRUCCRH-SOSAQKQKSA-N 0 0 330.340 2.574 10 5 EFBERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)NCc1ccccc1[N+](=O)[O-] ZINC001264609484 1316641620 /nfs/dbraw/zinc/64/16/20/1316641620.db2.gz TYHPFHMQPFJLTL-CYBMUJFWSA-N 0 0 339.351 2.727 10 5 EFBERN Cc1c2ccccc2c(=O)oc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001264732010 1316661402 /nfs/dbraw/zinc/66/14/02/1316661402.db2.gz SHUVEWQIIIMABW-UHFFFAOYSA-N 0 0 338.319 2.940 10 5 EFBERN O=C(CN1Cc2ccccc2OC1=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001264778333 1316670227 /nfs/dbraw/zinc/67/02/27/1316670227.db2.gz ZKXLUXSJINOTBG-UHFFFAOYSA-N 0 0 345.286 2.687 10 5 EFBERN CNC(=O)c1cccc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC001264811468 1316671142 /nfs/dbraw/zinc/67/11/42/1316671142.db2.gz JTKKUOWLWVTGOA-UHFFFAOYSA-N 0 0 341.367 2.501 10 5 EFBERN Cc1ccc(C(N)=O)cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001264844796 1316672126 /nfs/dbraw/zinc/67/21/26/1316672126.db2.gz SUUXSBVBBRWYLZ-UHFFFAOYSA-N 0 0 331.303 2.702 10 5 EFBERN Cc1nc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])nc2ccccc12 ZINC001264904533 1316673634 /nfs/dbraw/zinc/67/36/34/1316673634.db2.gz LJMGNIGIALGXBJ-UHFFFAOYSA-N 0 0 340.314 2.916 10 5 EFBERN O=C(Nc1ccc(F)cn1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001264946698 1316674704 /nfs/dbraw/zinc/67/47/04/1316674704.db2.gz CXIGNHTWEWDHCK-UHFFFAOYSA-N 0 0 333.275 2.543 10 5 EFBERN Cc1occc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001265228129 1316759810 /nfs/dbraw/zinc/75/98/10/1316759810.db2.gz SJIXZRUXOZNADT-UHFFFAOYSA-N 0 0 332.312 2.588 10 5 EFBERN O=C(c1ccnc(OC(F)F)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001265388186 1316794546 /nfs/dbraw/zinc/79/45/46/1316794546.db2.gz ZAKSGTLSLCLTRX-UHFFFAOYSA-N 0 0 335.266 2.794 10 5 EFBERN Cc1nc(NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001265687194 1316854039 /nfs/dbraw/zinc/85/40/39/1316854039.db2.gz PDKVVDPVJYTCPI-GHMZBOCLSA-N 0 0 335.360 2.605 10 5 EFBERN COC[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001265712648 1316865711 /nfs/dbraw/zinc/86/57/11/1316865711.db2.gz UBWDSNKFGFCXJF-ZDUSSCGKSA-N 0 0 332.331 2.721 10 5 EFBERN NC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC001265948983 1316925298 /nfs/dbraw/zinc/92/52/98/1316925298.db2.gz VYDBDUANSCBXJH-AWEZNQCLSA-N 0 0 347.758 2.595 10 5 EFBERN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)NCCn1cc([N+](=O)[O-])cn1 ZINC001265980064 1316936867 /nfs/dbraw/zinc/93/68/67/1316936867.db2.gz BJBCDEUHBPJOBB-MNOVXSKESA-N 0 0 348.325 2.666 10 5 EFBERN CC(=O)c1ccc(Cl)c(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC001266162988 1317112986 /nfs/dbraw/zinc/11/29/86/1317112986.db2.gz UMUVHGHRGKJLJN-UHFFFAOYSA-N 0 0 336.735 2.594 10 5 EFBERN Cc1cccc(C)c1OC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)(C)C ZINC001266209819 1317150572 /nfs/dbraw/zinc/15/05/72/1317150572.db2.gz UZQTZPLMVWJVMT-RBSFLKMASA-N 0 0 334.416 2.878 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C2(F)CCCCC2)n1 ZINC001316594849 1317236068 /nfs/dbraw/zinc/23/60/68/1317236068.db2.gz SCTISBFCMOQVHJ-UHFFFAOYSA-N 0 0 338.383 2.523 10 5 EFBERN Cn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(-c2ccco2)n1 ZINC001279851937 1317402534 /nfs/dbraw/zinc/40/25/34/1317402534.db2.gz XLOLDMKICVROLW-UHFFFAOYSA-N 0 0 330.275 2.980 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)nn1C ZINC001280252378 1317487111 /nfs/dbraw/zinc/48/71/11/1317487111.db2.gz GHRBVXZLXZLFFZ-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncc(F)cc1Cl ZINC001280491219 1317585849 /nfs/dbraw/zinc/58/58/49/1317585849.db2.gz VSBVZYOPBWLZRX-UHFFFAOYSA-N 0 0 325.683 2.800 10 5 EFBERN Cc1cc(F)ccc1S(=O)(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319108407 1328781313 /nfs/dbraw/zinc/78/13/13/1328781313.db2.gz RYBLLCUBFYAQTR-UHFFFAOYSA-N 0 0 336.344 2.747 10 5 EFBERN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)n[nH]1 ZINC001319372423 1328865255 /nfs/dbraw/zinc/86/52/55/1328865255.db2.gz FEJABESJEGXHMU-UTCJRWHESA-N 0 0 326.234 2.989 10 5 EFBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1c(Cl)cncc1Cl ZINC001319588734 1328921989 /nfs/dbraw/zinc/92/19/89/1328921989.db2.gz SNSRIXDBAANOMK-UHFFFAOYSA-N 0 0 342.138 2.736 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)nc(C)n2)cc1SC ZINC001287778632 1321526511 /nfs/dbraw/zinc/52/65/11/1321526511.db2.gz SINROTATOWYFMD-UHFFFAOYSA-N 0 0 348.384 2.984 10 5 EFBERN O=C(NCC[C@H]1CC=CCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001287811942 1321527109 /nfs/dbraw/zinc/52/71/09/1321527109.db2.gz BKNHFMMYXHJKMU-ZDUSSCGKSA-N 0 0 341.371 2.652 10 5 EFBERN O=C(NCc1ccc(OC(F)F)cc1F)c1ccc([N+](=O)[O-])cn1 ZINC001287890230 1321540100 /nfs/dbraw/zinc/54/01/00/1321540100.db2.gz QFDXIDCGQIEVQJ-UHFFFAOYSA-N 0 0 341.245 2.660 10 5 EFBERN Cc1ccc(CNC(=O)c2ncoc2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001287961765 1321562290 /nfs/dbraw/zinc/56/22/90/1321562290.db2.gz CISAFZQZPZEJLK-ZDUSSCGKSA-N 0 0 331.328 2.673 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001287973799 1321567417 /nfs/dbraw/zinc/56/74/17/1321567417.db2.gz DKPIULBIQHSEAH-CQSZACIVSA-N 0 0 348.399 2.759 10 5 EFBERN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC001288196957 1321612554 /nfs/dbraw/zinc/61/25/54/1321612554.db2.gz PFOJPQBQSIVCIE-NSHDSACASA-N 0 0 341.323 2.992 10 5 EFBERN O=C(N[C@H]1CCCn2nccc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001288199014 1321613004 /nfs/dbraw/zinc/61/30/04/1321613004.db2.gz PHXGHZJNHQXVIZ-LBPRGKRZSA-N 0 0 326.312 2.802 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)/C=C\c1ccnc(Cl)c1 ZINC001288216209 1321620213 /nfs/dbraw/zinc/62/02/13/1321620213.db2.gz OYBXMOJISISLBF-IHWYPQMZSA-N 0 0 334.719 2.699 10 5 EFBERN CC(C)(C(=O)N1CCc2cc(F)cnc21)c1ccccc1[N+](=O)[O-] ZINC001288448600 1321673267 /nfs/dbraw/zinc/67/32/67/1321673267.db2.gz CHNYUFMSWPADRT-UHFFFAOYSA-N 0 0 329.331 2.996 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001288608624 1321719301 /nfs/dbraw/zinc/71/93/01/1321719301.db2.gz SDCNNGPMLSFCDQ-UHFFFAOYSA-N 0 0 345.286 2.819 10 5 EFBERN COC(=O)Cc1cccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001288748171 1321751646 /nfs/dbraw/zinc/75/16/46/1321751646.db2.gz LTKYRRZBYFLLMR-GFCCVEGCSA-N 0 0 342.351 2.801 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001288781022 1321759304 /nfs/dbraw/zinc/75/93/04/1321759304.db2.gz BHFLBWWNWRFVNR-YOEHRIQHSA-N 0 0 346.314 2.562 10 5 EFBERN O=C(Nc1ccccc1-n1nccn1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001288783029 1321759385 /nfs/dbraw/zinc/75/93/85/1321759385.db2.gz MBXQHPNCPWZNBZ-GJZGRUSLSA-N 0 0 349.350 2.918 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001288789893 1321760201 /nfs/dbraw/zinc/76/02/01/1321760201.db2.gz YURRVESACIHDJT-YVEFUNNKSA-N 0 0 346.314 2.562 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2cc(F)ccc2OC)c1 ZINC001288819764 1321768584 /nfs/dbraw/zinc/76/85/84/1321768584.db2.gz UOHKQBFJSMOPHC-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN O=C(NCCc1ccnn1-c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC001288946366 1321795536 /nfs/dbraw/zinc/79/55/36/1321795536.db2.gz DGDDSILVSBIKNW-UHFFFAOYSA-N 0 0 342.380 2.815 10 5 EFBERN O=C(NCCc1ccnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001288952037 1321796016 /nfs/dbraw/zinc/79/60/16/1321796016.db2.gz RZXGIYBUEWVULW-UHFFFAOYSA-N 0 0 336.351 2.753 10 5 EFBERN O=C(NC1CCC=CCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001288947529 1321796038 /nfs/dbraw/zinc/79/60/38/1321796038.db2.gz XZJZUVSAJSBADD-INIZCTEOSA-N 0 0 329.356 2.703 10 5 EFBERN CC[S@](C)(=O)=NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001289018898 1321798420 /nfs/dbraw/zinc/79/84/20/1321798420.db2.gz KQZGPTQAAVUVRA-QFIPXVFZSA-N 0 0 339.398 2.976 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N=[S@]1(=O)CCc2ccccc21 ZINC001289029494 1321798683 /nfs/dbraw/zinc/79/86/83/1321798683.db2.gz NLBINLDIZRDENI-QHCPKHFHSA-N 0 0 331.353 2.522 10 5 EFBERN O=C(Nc1n[nH]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001289106131 1321799907 /nfs/dbraw/zinc/79/99/07/1321799907.db2.gz GKTZBQZUILCWRF-NWDGAFQWSA-N 0 0 339.311 2.715 10 5 EFBERN COc1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c(C)c1OC ZINC001289164583 1321801431 /nfs/dbraw/zinc/80/14/31/1321801431.db2.gz HMGIJJWTKJTTIN-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN CCOc1ccc(C(=O)N2CCN(C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001289202936 1321802854 /nfs/dbraw/zinc/80/28/54/1321802854.db2.gz BWJFAQVGOQLUGG-HNNXBMFYSA-N 0 0 349.431 2.796 10 5 EFBERN CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)C(=O)OC ZINC001289236780 1321808148 /nfs/dbraw/zinc/80/81/48/1321808148.db2.gz INJHEDPLTDWYJP-JTQLQIEISA-N 0 0 334.328 2.755 10 5 EFBERN CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](C)C(=O)OC ZINC001289236781 1321808317 /nfs/dbraw/zinc/80/83/17/1321808317.db2.gz INJHEDPLTDWYJP-SNVBAGLBSA-N 0 0 334.328 2.755 10 5 EFBERN COC(=O)c1cccc2c1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001289254078 1321809342 /nfs/dbraw/zinc/80/93/42/1321809342.db2.gz YZJVSTLHCRWFAU-UHFFFAOYSA-N 0 0 340.335 2.513 10 5 EFBERN CCc1ccc([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001289255540 1321809443 /nfs/dbraw/zinc/80/94/43/1321809443.db2.gz LUGWCFXLNZFWMC-NSHDSACASA-N 0 0 341.367 2.998 10 5 EFBERN CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001289256260 1321809497 /nfs/dbraw/zinc/80/94/97/1321809497.db2.gz RCVCODJYRNEXCG-ABAIWWIYSA-N 0 0 349.387 2.618 10 5 EFBERN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC001289254853 1321809993 /nfs/dbraw/zinc/80/99/93/1321809993.db2.gz DXEVYNWJMIDJAI-LLVKDONJSA-N 0 0 327.340 2.826 10 5 EFBERN CCOC(=O)c1cn(C)cc1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001289281006 1321811193 /nfs/dbraw/zinc/81/11/93/1321811193.db2.gz RRNVQDAGCUTIQV-UHFFFAOYSA-N 0 0 345.355 2.979 10 5 EFBERN Cc1noc(C[C@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)n1 ZINC001289339560 1321813141 /nfs/dbraw/zinc/81/31/41/1321813141.db2.gz BVABZFQPQFRTDH-LLVKDONJSA-N 0 0 348.334 2.520 10 5 EFBERN Cc1ccc([S@@](C)(=O)=NC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001289350275 1321813734 /nfs/dbraw/zinc/81/37/34/1321813734.db2.gz SUUANSKAHLVCJW-HSZRJFAPSA-N 0 0 333.369 2.904 10 5 EFBERN COC(=O)c1cnc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1C ZINC001289449865 1321817841 /nfs/dbraw/zinc/81/78/41/1321817841.db2.gz SECALTVORGULLY-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)n1 ZINC001289491204 1321818926 /nfs/dbraw/zinc/81/89/26/1321818926.db2.gz SSTWHQGFPWTGDR-QWHCGFSZSA-N 0 0 344.371 2.915 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(CC3)Oc3ccccc32)n1 ZINC001289592732 1321821928 /nfs/dbraw/zinc/82/19/28/1321821928.db2.gz NCNNNFFFMLBWMF-UHFFFAOYSA-N 0 0 325.324 2.870 10 5 EFBERN CCNc1ccc(C(=O)Nc2ccncc2OC(C)C)cc1[N+](=O)[O-] ZINC001289620167 1321822272 /nfs/dbraw/zinc/82/22/72/1321822272.db2.gz YCUSENIIVPHIFW-UHFFFAOYSA-N 0 0 344.371 2.883 10 5 EFBERN COc1ccc(C(=O)NCc2nc(C(C)(C)C)co2)cc1[N+](=O)[O-] ZINC001289650450 1321822569 /nfs/dbraw/zinc/82/25/69/1321822569.db2.gz UOWAABJNUXEQCD-UHFFFAOYSA-N 0 0 333.344 2.819 10 5 EFBERN CN(Cc1ccn(C)n1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001289710157 1321823853 /nfs/dbraw/zinc/82/38/53/1321823853.db2.gz UNLJWWOICQVPBM-UHFFFAOYSA-N 0 0 330.369 2.815 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@]12CCCOC2 ZINC001289865053 1321831854 /nfs/dbraw/zinc/83/18/54/1321831854.db2.gz JJKGTYYTUSTDDU-KRWDZBQOSA-N 0 0 344.371 2.646 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc2ccccc2[nH]c1=O ZINC001289877599 1321833274 /nfs/dbraw/zinc/83/32/74/1321833274.db2.gz FAMDSPZPVZJRGW-UHFFFAOYSA-N 0 0 337.335 2.708 10 5 EFBERN COc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cn1 ZINC001289987564 1321855096 /nfs/dbraw/zinc/85/50/96/1321855096.db2.gz AIURIOUZCKDBRO-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001290034753 1321867031 /nfs/dbraw/zinc/86/70/31/1321867031.db2.gz LKLFFWWJRJFSBW-HNNXBMFYSA-N 0 0 345.311 2.792 10 5 EFBERN O=C(Nc1cccc(CO)c1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001290045626 1321869899 /nfs/dbraw/zinc/86/98/99/1321869899.db2.gz GRSJATDQTQHUDH-UHFFFAOYSA-N 0 0 338.323 2.730 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccccn1 ZINC001290050389 1321870146 /nfs/dbraw/zinc/87/01/46/1321870146.db2.gz KGZMLWBNBLERDO-LLVKDONJSA-N 0 0 347.396 2.565 10 5 EFBERN CN(Cc1cccnc1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001290137270 1321880344 /nfs/dbraw/zinc/88/03/44/1321880344.db2.gz FPOPXIWOOQNPPS-UHFFFAOYSA-N 0 0 336.351 2.997 10 5 EFBERN COc1ccc(C=O)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001290585233 1321933278 /nfs/dbraw/zinc/93/32/78/1321933278.db2.gz DYGUOGBDSUVXOO-UHFFFAOYSA-N 0 0 326.308 2.619 10 5 EFBERN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)N(C)c1ccccc1 ZINC001290904679 1321970218 /nfs/dbraw/zinc/97/02/18/1321970218.db2.gz CVGFYXURSUFKOQ-LBPRGKRZSA-N 0 0 331.347 2.989 10 5 EFBERN COCCOc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c(C)c1 ZINC001291755686 1322008504 /nfs/dbraw/zinc/00/85/04/1322008504.db2.gz KIIUTZIZJFCLEX-UHFFFAOYSA-N 0 0 345.355 2.763 10 5 EFBERN CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC001291853430 1322018739 /nfs/dbraw/zinc/01/87/39/1322018739.db2.gz OMJLGRPVRQXZPG-UHFFFAOYSA-N 0 0 340.339 2.600 10 5 EFBERN CCSc1c[nH]c(=O)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001291968982 1322026413 /nfs/dbraw/zinc/02/64/13/1322026413.db2.gz DSXGSECVYXNMOM-UHFFFAOYSA-N 0 0 347.396 2.780 10 5 EFBERN COc1c(Cl)cccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001292069248 1322033670 /nfs/dbraw/zinc/03/36/70/1322033670.db2.gz ZDRBSBZUEZFACB-CYBMUJFWSA-N 0 0 336.731 2.929 10 5 EFBERN CC[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001307122632 1322040846 /nfs/dbraw/zinc/04/08/46/1322040846.db2.gz OONBVRWYSXVPMB-VIFPVBQESA-N 0 0 344.799 2.780 10 5 EFBERN Nc1nccc(C(=O)Nc2cc(-n3cccc3)ccc2F)c1[N+](=O)[O-] ZINC001292562816 1322089535 /nfs/dbraw/zinc/08/95/35/1322089535.db2.gz QMKLMEJDDDXQON-UHFFFAOYSA-N 0 0 341.302 2.754 10 5 EFBERN Cn1ccc2c1cccc2NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001292612558 1322093079 /nfs/dbraw/zinc/09/30/79/1322093079.db2.gz SUDNHGBCTPGGNL-INIZCTEOSA-N 0 0 325.324 2.759 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001292716588 1322109263 /nfs/dbraw/zinc/10/92/63/1322109263.db2.gz HYDGGKCXDYKFIF-LBPRGKRZSA-N 0 0 344.371 2.736 10 5 EFBERN Cc1c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n[nH]c1C1CC1 ZINC001292820288 1322128162 /nfs/dbraw/zinc/12/81/62/1322128162.db2.gz MHMJLLUZQKYJQO-UHFFFAOYSA-N 0 0 329.360 2.579 10 5 EFBERN CC(C)C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[NH+](C)C ZINC001292954823 1322159631 /nfs/dbraw/zinc/15/96/31/1322159631.db2.gz FDGXWWWXKDVIAB-LLVKDONJSA-N 0 0 343.811 2.660 10 5 EFBERN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001293501357 1322269739 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EFBERN O=C(N[C@H]1CCCc2c[nH]nc21)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001294644374 1322540332 /nfs/dbraw/zinc/54/03/32/1322540332.db2.gz VZIXFTLVZSZWAS-JTQLQIEISA-N 0 0 338.726 2.918 10 5 EFBERN Cc1cccc([C@H](O)CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001294885660 1322590245 /nfs/dbraw/zinc/59/02/45/1322590245.db2.gz ZLVUCQINWWOWRF-MRXNPFEDSA-N 0 0 348.786 2.949 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCc2ccc(O)cc2C1 ZINC001294912727 1322596317 /nfs/dbraw/zinc/59/63/17/1322596317.db2.gz IJYALHKKDABMTN-UHFFFAOYSA-N 0 0 330.315 2.946 10 5 EFBERN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CCCO1 ZINC001295096164 1322633306 /nfs/dbraw/zinc/63/33/06/1322633306.db2.gz FSSYEVYWRHNJNX-KRWDZBQOSA-N 0 0 345.403 2.879 10 5 EFBERN O=C(Nc1ccccc1-c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1F ZINC001295212324 1322654082 /nfs/dbraw/zinc/65/40/82/1322654082.db2.gz USHBBYNIAMUWCC-UHFFFAOYSA-N 0 0 327.275 2.771 10 5 EFBERN CN(C)c1cccc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001295244280 1322661134 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Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2ccccn2)CC1 ZINC001295879684 1322798194 /nfs/dbraw/zinc/79/81/94/1322798194.db2.gz KRLZYNIMUYLCMR-UHFFFAOYSA-N 0 0 326.356 2.592 10 5 EFBERN C[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1cn[nH]c1 ZINC001295898495 1322801511 /nfs/dbraw/zinc/80/15/11/1322801511.db2.gz YOVZNXPZGWOGDR-SECBINFHSA-N 0 0 325.328 2.544 10 5 EFBERN CC(C)(C)c1[nH]cnc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295988440 1322836855 /nfs/dbraw/zinc/83/68/55/1322836855.db2.gz QZZXWVBAVSSMJY-UHFFFAOYSA-N 0 0 328.332 2.744 10 5 EFBERN CC(C)c1nnc([C@@H](C)NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])[nH]1 ZINC001295998406 1322837369 /nfs/dbraw/zinc/83/73/69/1322837369.db2.gz GDABYSYUDAQSQE-SNVBAGLBSA-N 0 0 349.366 2.785 10 5 EFBERN C[C@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC001296272900 1322877217 /nfs/dbraw/zinc/87/72/17/1322877217.db2.gz IGEVZSGLICQZRM-HOTGVXAUSA-N 0 0 338.791 2.865 10 5 EFBERN O=C(NC[C@@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1Cl ZINC001296299482 1322883253 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EFBERN CC1(C)[C@H](O)C[C@@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001296718924 1322989684 /nfs/dbraw/zinc/98/96/84/1322989684.db2.gz SPGWYHSISMZWRP-UONOGXRCSA-N 0 0 341.367 2.546 10 5 EFBERN COc1cccc(C(=O)NN2CCCc3ccccc32)c1[N+](=O)[O-] ZINC001296856434 1323035303 /nfs/dbraw/zinc/03/53/03/1323035303.db2.gz DHNXHNUXCHVEPT-UHFFFAOYSA-N 0 0 327.340 2.701 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cc[nH]n1 ZINC001297047989 1323076312 /nfs/dbraw/zinc/07/63/12/1323076312.db2.gz QVFNRURDUVAMFA-ZDUSSCGKSA-N 0 0 334.763 2.878 10 5 EFBERN CN(C)Cc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc1Cl ZINC001297079613 1323085100 /nfs/dbraw/zinc/08/51/00/1323085100.db2.gz JPJJJWOBJGIRNH-UHFFFAOYSA-N 0 0 349.778 2.539 10 5 EFBERN O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cc(F)ccc1[N+](=O)[O-] ZINC001297126865 1323096619 /nfs/dbraw/zinc/09/66/19/1323096619.db2.gz GTZOACLERVHYLR-UHFFFAOYSA-N 0 0 345.265 2.910 10 5 EFBERN COc1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001297157060 1323104835 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2.700 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(C=O)c1 ZINC001298191450 1323453974 /nfs/dbraw/zinc/45/39/74/1323453974.db2.gz LZBPJRDUBLKKSE-UHFFFAOYSA-N 0 0 328.328 2.875 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1=C[S@](=O)CCC1 ZINC001298190618 1323454001 /nfs/dbraw/zinc/45/40/01/1323454001.db2.gz AXMAUVPHDHDCKN-HSZRJFAPSA-N 0 0 337.401 2.780 10 5 EFBERN Cc1cc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2[nH]c1=O ZINC001298352781 1323501640 /nfs/dbraw/zinc/50/16/40/1323501640.db2.gz TUWBQUCNOAWCGH-UHFFFAOYSA-N 0 0 337.335 2.926 10 5 EFBERN CCc1nnc(CNC(=O)c2cc3ccccc3c3cccnc23)[nH]1 ZINC001298439174 1323528525 /nfs/dbraw/zinc/52/85/25/1323528525.db2.gz YZYUIOMGKXWUOX-UHFFFAOYSA-N 0 0 331.379 2.999 10 5 EFBERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000839920308 1323533342 /nfs/dbraw/zinc/53/33/42/1323533342.db2.gz PESBMFQUOVYPRM-CYBMUJFWSA-N 0 0 342.399 2.725 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC001298480170 1323544221 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C[C@@H](CNC(=O)/C=C/[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC001304193548 1324645479 /nfs/dbraw/zinc/64/54/79/1324645479.db2.gz IGCGLTJDYGTKIT-TYDXBBDOSA-N 0 0 334.372 2.522 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC001304212270 1324646186 /nfs/dbraw/zinc/64/61/86/1324646186.db2.gz GOAZJOUWHBBILX-UHFFFAOYSA-N 0 0 329.312 2.524 10 5 EFBERN CC1(C)C[C@H](O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2O1 ZINC001304256079 1324646725 /nfs/dbraw/zinc/64/67/25/1324646725.db2.gz LAVWQFNYNGCGDX-LBPRGKRZSA-N 0 0 331.328 2.770 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2CCOc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001304499461 1324652352 /nfs/dbraw/zinc/65/23/52/1324652352.db2.gz ABRSDEPHEVDIFE-GFCCVEGCSA-N 0 0 327.340 2.990 10 5 EFBERN Cc1ccc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001304499824 1324652610 /nfs/dbraw/zinc/65/26/10/1324652610.db2.gz HBRLQOLXBXAOKB-NSHDSACASA-N 0 0 348.403 2.509 10 5 EFBERN Cc1c(C(=O)N2CC(Cc3ccoc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001304671548 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2.890 10 5 EFBERN CN(Cc1ccc(Cl)nc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001440636669 1389789237 /nfs/dbraw/zinc/78/92/37/1389789237.db2.gz FZTRIVPFRDIDIM-UHFFFAOYSA-N 0 0 337.738 2.983 10 5 EFBERN COc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])cc1F ZINC001440685317 1389815427 /nfs/dbraw/zinc/81/54/27/1389815427.db2.gz ZGWMCPNYABCVTR-UHFFFAOYSA-N 0 0 346.274 2.577 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCOc1ccccc1 ZINC001440708649 1389830786 /nfs/dbraw/zinc/83/07/86/1389830786.db2.gz FRJYKCLMBUDFDK-UHFFFAOYSA-N 0 0 332.331 2.862 10 5 EFBERN NC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001440899366 1389989601 /nfs/dbraw/zinc/98/96/01/1389989601.db2.gz MXZDRRNDCJUNPU-HUUCEWRRSA-N 0 0 340.339 2.828 10 5 EFBERN CN(Cc1ccc(F)c(F)c1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001440926839 1390013479 /nfs/dbraw/zinc/01/34/79/1390013479.db2.gz VXSBSCLLZNCSSS-UHFFFAOYSA-N 0 0 330.678 2.522 10 5 EFBERN Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Br ZINC001440988408 1391006842 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341.795 2.620 10 5 EFBERN O=C(Nc1cn[nH]n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001447930650 1391826138 /nfs/dbraw/zinc/82/61/38/1391826138.db2.gz YYJQPACGBCLPLH-UHFFFAOYSA-N 0 0 338.327 2.577 10 5 EFBERN CNc1nccc(C(=O)N(C)c2cccc3cccnc32)c1[N+](=O)[O-] ZINC001448203806 1392010482 /nfs/dbraw/zinc/01/04/82/1392010482.db2.gz WMSOQPVKZVAWCX-UHFFFAOYSA-N 0 0 337.339 2.856 10 5 EFBERN O=C(N[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC001448240287 1392043976 /nfs/dbraw/zinc/04/39/76/1392043976.db2.gz AFUBZYSZVQHIJZ-LLVKDONJSA-N 0 0 326.780 2.919 10 5 EFBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001449043299 1392230081 /nfs/dbraw/zinc/23/00/81/1392230081.db2.gz JDDIWTMLVIDZAI-UHFFFAOYSA-N 0 0 346.734 2.718 10 5 EFBERN COc1nccc2cc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)ccc21 ZINC001449892626 1392426277 /nfs/dbraw/zinc/42/62/77/1392426277.db2.gz UYTMBOBWMHNXES-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN CC[C@](C)(CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)OC ZINC001449952754 1392456045 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EFBERN O=C(NCc1c(Cl)cccc1OC(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC001454791998 1394221523 /nfs/dbraw/zinc/22/15/23/1394221523.db2.gz ZFBDPTGTIIGSBS-UHFFFAOYSA-N 0 0 346.677 2.503 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC[C@H](O)C2CCCC2)cc1[N+](=O)[O-] ZINC001454982795 1394495906 /nfs/dbraw/zinc/49/59/06/1394495906.db2.gz YYAVQGZUSBTHEF-ZDUSSCGKSA-N 0 0 341.795 2.501 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC[C@@H](O)C2CCCC2)cc1[N+](=O)[O-] ZINC001454982794 1394495991 /nfs/dbraw/zinc/49/59/91/1394495991.db2.gz YYAVQGZUSBTHEF-CYBMUJFWSA-N 0 0 341.795 2.501 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001455028522 1394522893 /nfs/dbraw/zinc/52/28/93/1394522893.db2.gz GRFOPPOWHKYXMM-AWEZNQCLSA-N 0 0 349.387 2.513 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(=O)c3ccccc3[nH]2)c1 ZINC001455052931 1394537355 /nfs/dbraw/zinc/53/73/55/1394537355.db2.gz QCWZPRIECBFKIK-UHFFFAOYSA-N 0 0 337.335 2.675 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC2(CCC2)O1 ZINC001456127696 1394654417 /nfs/dbraw/zinc/65/44/17/1394654417.db2.gz JGHBJYHCRNTRBW-SNVBAGLBSA-N 0 0 337.351 2.538 10 5 EFBERN CC(C)c1nc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c[nH]1 ZINC001456344675 1394671743 /nfs/dbraw/zinc/67/17/43/1394671743.db2.gz MIDBAIXYXQCCEG-UHFFFAOYSA-N 0 0 341.371 2.712 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)n1 ZINC001456543079 1394710506 /nfs/dbraw/zinc/71/05/06/1394710506.db2.gz KJCURACQEQSCOQ-HNNXBMFYSA-N 0 0 342.355 2.519 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001456629364 1394735362 /nfs/dbraw/zinc/73/53/62/1394735362.db2.gz HEWCXPPHQVYSKI-CQSZACIVSA-N 0 0 325.368 2.854 10 5 EFBERN O=C(N[C@@H]1CC[C@H]1O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001456663483 1394753525 /nfs/dbraw/zinc/75/35/25/1394753525.db2.gz HCXPUJGSOJCFPS-HUUCEWRRSA-N 0 0 344.392 2.999 10 5 EFBERN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)C1(C)CC1 ZINC001456715123 1394778596 /nfs/dbraw/zinc/77/85/96/1394778596.db2.gz UNAZOSGDKSFJAP-ZETCQYMHSA-N 0 0 342.193 2.858 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C)c(N)c1[N+](=O)[O-] ZINC001456745659 1394788178 /nfs/dbraw/zinc/78/81/78/1394788178.db2.gz SUHCDUPNGWQYIQ-MRXNPFEDSA-N 0 0 328.372 2.727 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(C3OCCO3)cc2)c(N)c1[N+](=O)[O-] ZINC001456753503 1394791298 /nfs/dbraw/zinc/79/12/98/1394791298.db2.gz VTTJRYDRJDDMBP-UHFFFAOYSA-N 0 0 343.339 2.783 10 5 EFBERN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001456969896 1394900898 /nfs/dbraw/zinc/90/08/98/1394900898.db2.gz MKXWLWYJZBYUBQ-UHFFFAOYSA-N 0 0 337.339 2.652 10 5 EFBERN O=C(NCc1cnccn1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001457183097 1395024493 /nfs/dbraw/zinc/02/44/93/1395024493.db2.gz JMRUNYVWJCKDDQ-UHFFFAOYSA-N 0 0 345.117 2.761 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)c2cc(C)c(C(N)=O)cn2)cc1[N+](=O)[O-] ZINC001457286153 1395054451 /nfs/dbraw/zinc/05/44/51/1395054451.db2.gz RHLHWMMKGUAMQQ-NSHDSACASA-N 0 0 343.339 2.624 10 5 EFBERN O=C(NN1C[C@@H]2CCC[C@H]2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001457408658 1395100341 /nfs/dbraw/zinc/10/03/41/1395100341.db2.gz WCMGQTWFGPIAPM-STQMWFEESA-N 0 0 330.388 2.546 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001457416059 1395104407 /nfs/dbraw/zinc/10/44/07/1395104407.db2.gz NEIUJLMOQOSRJQ-LLVKDONJSA-N 0 0 342.417 2.591 10 5 EFBERN CC(=O)NC1CCC(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001457494541 1395157835 /nfs/dbraw/zinc/15/78/35/1395157835.db2.gz IWDWFYLAIWUSFE-UHFFFAOYSA-N 0 0 347.415 2.641 10 5 EFBERN O=C(N[C@@H](CO)c1cccc(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001457737737 1395308657 /nfs/dbraw/zinc/30/86/57/1395308657.db2.gz BSCXCZMENGRCDK-ZDUSSCGKSA-N 0 0 338.722 2.851 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nn1ccccc1=O ZINC001457736219 1395309257 /nfs/dbraw/zinc/30/92/57/1395309257.db2.gz WEOOIMNBYBEUCR-UHFFFAOYSA-N 0 0 333.369 2.643 10 5 EFBERN NC(=O)CC1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001458107856 1395408630 /nfs/dbraw/zinc/40/86/30/1395408630.db2.gz KCWPJMDPRINCLS-UHFFFAOYSA-N 0 0 348.790 2.888 10 5 EFBERN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccnn1CC(F)(F)F ZINC001458120950 1395410176 /nfs/dbraw/zinc/41/01/76/1395410176.db2.gz WTAZRZXRYXLURX-UHFFFAOYSA-N 0 0 333.197 2.712 10 5 EFBERN Cc1ccc(OC[C@@H](C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001458134260 1395412567 /nfs/dbraw/zinc/41/25/67/1395412567.db2.gz FPEULVQTKGAJBZ-GFCCVEGCSA-N 0 0 329.356 2.882 10 5 EFBERN COc1ccc(NC(=O)c2cccn(C(C)(C)C)c2=O)cc1[N+](=O)[O-] ZINC001458227197 1395426830 /nfs/dbraw/zinc/42/68/30/1395426830.db2.gz UKVUCTUCFCJLKF-UHFFFAOYSA-N 0 0 345.355 2.772 10 5 EFBERN COc1ccc(NC(=O)c2cccc3c2CCOC3)cc1[N+](=O)[O-] ZINC001458223912 1395427474 /nfs/dbraw/zinc/42/74/74/1395427474.db2.gz ITQBQABMUZZEEW-UHFFFAOYSA-N 0 0 328.324 2.928 10 5 EFBERN COc1ccc(NC(=O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001458225799 1395427521 /nfs/dbraw/zinc/42/75/21/1395427521.db2.gz QSGARZMYFYAIGF-UHFFFAOYSA-N 0 0 338.266 2.899 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(N[C@H]2CCCc3c[nH]nc32)c2ccccc21 ZINC001458247632 1395431020 /nfs/dbraw/zinc/43/10/20/1395431020.db2.gz XEMGAPNKJTVDLH-LBPRGKRZSA-N 0 0 339.355 2.659 10 5 EFBERN CO[C@@H]1[C@H](C)[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1(C)C ZINC001458284943 1395437779 /nfs/dbraw/zinc/43/77/79/1395437779.db2.gz PMPZOHGXNMPCGK-KDILMLJESA-N 0 0 336.314 2.819 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1nc2ccccn2n1 ZINC001458280885 1395437800 /nfs/dbraw/zinc/43/78/00/1395437800.db2.gz JFFJKQGTFSVQGN-UHFFFAOYSA-N 0 0 345.746 2.862 10 5 EFBERN Cc1n[nH]c([C@@H]2CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)n1 ZINC001458290369 1395440008 /nfs/dbraw/zinc/44/00/08/1395440008.db2.gz ZBLBVPIJXVXVDC-GFCCVEGCSA-N 0 0 338.371 2.954 10 5 EFBERN O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cccnn1 ZINC001458319899 1395446124 /nfs/dbraw/zinc/44/61/24/1395446124.db2.gz OIXIVCQYYYTIEP-MRXNPFEDSA-N 0 0 336.307 2.726 10 5 EFBERN COc1ccc(COCCNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001458376291 1395455971 /nfs/dbraw/zinc/45/59/71/1395455971.db2.gz RIEWFHPUMGMOBX-UHFFFAOYSA-N 0 0 348.330 2.689 10 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ZINC001471454305 1397172802 /nfs/dbraw/zinc/17/28/02/1397172802.db2.gz JSQMFQYCLVFIEH-UHFFFAOYSA-N 0 0 328.324 2.525 10 5 EFBERN CN(CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001471491584 1397177021 /nfs/dbraw/zinc/17/70/21/1397177021.db2.gz XFZNKEPSQDNFGA-DHZHZOJOSA-N 0 0 340.383 2.646 10 5 EFBERN O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001471503389 1397178874 /nfs/dbraw/zinc/17/88/74/1397178874.db2.gz LJPJLDZDNZNEII-GXSJLCMTSA-N 0 0 338.726 2.727 10 5 EFBERN COc1ccc(C2CC2)cc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001471624113 1397188882 /nfs/dbraw/zinc/18/88/82/1397188882.db2.gz ISSLKZURUFDLBL-UHFFFAOYSA-N 0 0 341.367 2.993 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](O)c1ccccc1 ZINC001471741259 1397202685 /nfs/dbraw/zinc/20/26/85/1397202685.db2.gz KFTZEENWMCGFBF-HOCLYGCPSA-N 0 0 347.346 2.558 10 5 EFBERN O=C(NCCc1nc(-c2ccccc2)c[nH]1)c1ccc([N+](=O)[O-])o1 ZINC001471786311 1397206469 /nfs/dbraw/zinc/20/64/69/1397206469.db2.gz 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ZINC001478237541 1397569255 /nfs/dbraw/zinc/56/92/55/1397569255.db2.gz NZBBETRCNSMJLL-SLEUVZQESA-N 0 0 335.404 2.704 10 5 EFBERN COc1cc(C)ccc1C(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001478260621 1397570522 /nfs/dbraw/zinc/57/05/22/1397570522.db2.gz QDRLCGLAQAHZQL-UHFFFAOYSA-N 0 0 343.383 2.778 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC001478291363 1397573877 /nfs/dbraw/zinc/57/38/77/1397573877.db2.gz XFIBBRKGKLTOFK-AWEZNQCLSA-N 0 0 349.387 2.504 10 5 EFBERN C[C@@H](NC(=O)NCc1cc(C2CC2)nn1C)c1ccccc1[N+](=O)[O-] ZINC001479212966 1397619640 /nfs/dbraw/zinc/61/96/40/1397619640.db2.gz PRCXESYXLUKHNE-LLVKDONJSA-N 0 0 343.387 2.766 10 5 EFBERN CO[C@]12CCC[C@@]1(NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC001479212260 1397619873 /nfs/dbraw/zinc/61/98/73/1397619873.db2.gz HHXMUPHIFNCQOQ-VUCTXSBTSA-N 0 0 349.387 2.641 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001479550659 1397755362 /nfs/dbraw/zinc/75/53/62/1397755362.db2.gz KLEKICWRWFLVJV-IUIKQTSFSA-N 0 0 331.372 2.556 10 5 EFBERN CN(CCN(C)C(=O)c1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001496654359 1400902363 /nfs/dbraw/zinc/90/23/63/1400902363.db2.gz XGAFWQJMWGOEJZ-UHFFFAOYSA-N 0 0 345.374 2.938 10 5 EFBERN O=C(CCCF)N1C[C@H]2CCC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001499555896 1402681348 /nfs/dbraw/zinc/68/13/48/1402681348.db2.gz SKDAJWAFQTVOOI-CALCHBBNSA-N 0 0 349.406 2.910 10 5 EFBERN CCc1nn(C)cc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001546308110 1407405134 /nfs/dbraw/zinc/40/51/34/1407405134.db2.gz NYGHWZYXYWWKLF-UHFFFAOYSA-N 0 0 341.730 2.518 10 5 EFBERN CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=CCC1 ZINC001503203432 1404474569 /nfs/dbraw/zinc/47/45/69/1404474569.db2.gz RSOWJXGRTALNQU-UHFFFAOYSA-N 0 0 343.387 2.656 10 5 EFBERN COCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(C)C ZINC001504844131 1404526670 /nfs/dbraw/zinc/52/66/70/1404526670.db2.gz UIPIRSAKDLMIOJ-UHFFFAOYSA-N 0 0 347.419 2.982 10 5 EFBERN Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCOC(C)(C)C ZINC001511779973 1413133559 /nfs/dbraw/zinc/13/35/59/1413133559.db2.gz SKKROYPEQFRTDC-UHFFFAOYSA-N 0 0 347.419 2.946 10 5 EFBERN CO[C@H](C)Cn1c(C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001554592011 1415019846 /nfs/dbraw/zinc/01/98/46/1415019846.db2.gz HUYUAFLGYQXVNY-GFCCVEGCSA-N 0 0 345.403 2.699 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Cl)ncc1F ZINC001556084509 1415052387 /nfs/dbraw/zinc/05/23/87/1415052387.db2.gz QRWDMFDTXBKLPL-UHFFFAOYSA-N 0 0 335.682 2.911 10 5 EFBERN Cc1cc(Cl)c(C(=O)NN2Cc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC001556160862 1415056755 /nfs/dbraw/zinc/05/67/55/1415056755.db2.gz SZCZOLYULGVCSC-UHFFFAOYSA-N 0 0 345.742 2.857 10 5 EFBERN Cc1c(CNC(=O)[C@@](C)(O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001556204899 1415058816 /nfs/dbraw/zinc/05/88/16/1415058816.db2.gz HQNCGTOVAJBFEC-KRWDZBQOSA-N 0 0 332.331 2.566 10 5 EFBERN Cn1ccc2cccc(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)c21 ZINC001556213940 1415059375 /nfs/dbraw/zinc/05/93/75/1415059375.db2.gz TZVMTRLSEUIFND-MRXNPFEDSA-N 0 0 325.324 2.759 10 5 EFBERN Cc1nc2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cn2n1 ZINC001556402271 1415067089 /nfs/dbraw/zinc/06/70/89/1415067089.db2.gz KNBHJQSIUFPLFD-UHFFFAOYSA-N 0 0 336.311 2.680 10 5 EFBERN CC[C@H](C)[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC001556395008 1415067332 /nfs/dbraw/zinc/06/73/32/1415067332.db2.gz KFAYEFIEIYRNIZ-FFWSUHOLSA-N 0 0 328.678 2.678 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC001556414909 1415068304 /nfs/dbraw/zinc/06/83/04/1415068304.db2.gz CJXLTQUVVMFQAG-HNNXBMFYSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cnn3ccccc23)c1F ZINC001556546010 1415075477 /nfs/dbraw/zinc/07/54/77/1415075477.db2.gz VUBAMIJHHZNYTO-UHFFFAOYSA-N 0 0 346.293 2.759 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2cccc3nonc32)cc1[N+](=O)[O-] ZINC001556555215 1415075893 /nfs/dbraw/zinc/07/58/93/1415075893.db2.gz ZGDRDAUCKPAKGC-UHFFFAOYSA-N 0 0 333.691 2.619 10 5 EFBERN C[C@]12CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)C[C@H]1C2(Cl)Cl ZINC001556576039 1415076852 /nfs/dbraw/zinc/07/68/52/1415076852.db2.gz JPFQABHOZUIUIP-YPMHNXCESA-N 0 0 344.198 2.833 10 5 EFBERN CN(C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001556651347 1415080304 /nfs/dbraw/zinc/08/03/04/1415080304.db2.gz STPGPFBPYUPQND-UHFFFAOYSA-N 0 0 343.343 2.523 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1nccn2ccnc12 ZINC001556689875 1415081983 /nfs/dbraw/zinc/08/19/83/1415081983.db2.gz FFBOEPNHGMJEMQ-UHFFFAOYSA-N 0 0 340.343 2.710 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CSc2ccccc21 ZINC001556741034 1415085802 /nfs/dbraw/zinc/08/58/02/1415085802.db2.gz NEGSUQBOKKOQOQ-SNVBAGLBSA-N 0 0 329.381 2.796 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC001556743188 1415085853 /nfs/dbraw/zinc/08/58/53/1415085853.db2.gz BGKMJILYZWMYLO-LLVKDONJSA-N 0 0 329.331 2.946 10 5 EFBERN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nccc(N)n1 ZINC001556760501 1415087369 /nfs/dbraw/zinc/08/73/69/1415087369.db2.gz SYHHJEPGCFTWOY-MRVPVSSYSA-N 0 0 343.368 2.673 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC/C=C\c1cccnc1 ZINC001556826391 1415090187 /nfs/dbraw/zinc/09/01/87/1415090187.db2.gz IXFFAERFDGZLHQ-XQRVVYSFSA-N 0 0 327.340 2.588 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001556872999 1415092725 /nfs/dbraw/zinc/09/27/25/1415092725.db2.gz JCBIBPZEWIWPQN-OAHLLOKOSA-N 0 0 345.311 2.792 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc2[nH]c(CO)nc21 ZINC001556872901 1415092750 /nfs/dbraw/zinc/09/27/50/1415092750.db2.gz FWWUMPOEISLYNF-UHFFFAOYSA-N 0 0 340.339 2.833 10 5 EFBERN Nc1ccc(NC(=O)[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001556894869 1415093949 /nfs/dbraw/zinc/09/39/49/1415093949.db2.gz XMZUGNNDMMORMO-LBPRGKRZSA-N 0 0 335.747 2.545 10 5 EFBERN Nc1ccc(NC(=O)C[C@H](n2ccnc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001556894776 1415093997 /nfs/dbraw/zinc/09/39/97/1415093997.db2.gz UHTOHSSGMALJQC-NSHDSACASA-N 0 0 343.265 2.506 10 5 EFBERN Cc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(C)n1-c1ccon1 ZINC001556895545 1415094114 /nfs/dbraw/zinc/09/41/14/1415094114.db2.gz XHWFHTXEOUAYNO-UHFFFAOYSA-N 0 0 341.327 2.825 10 5 EFBERN Cc1nc2ccc(O)cc2cc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556894464 1415094185 /nfs/dbraw/zinc/09/41/85/1415094185.db2.gz ITTHPXQGRNPOFQ-UHFFFAOYSA-N 0 0 338.323 2.992 10 5 EFBERN COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC001556894726 1415094205 /nfs/dbraw/zinc/09/42/05/1415094205.db2.gz SFKNGWGJMNJOFL-ZDUSSCGKSA-N 0 0 327.340 2.854 10 5 EFBERN O=C(NCc1cnc(Cl)cn1)c1ccc([N+](=O)[O-])cc1Cl ZINC001556921850 1415095532 /nfs/dbraw/zinc/09/55/32/1415095532.db2.gz AJQMKRGSLKTQGN-UHFFFAOYSA-N 0 0 327.127 2.622 10 5 EFBERN Cc1csc(NCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC001556944793 1415097219 /nfs/dbraw/zinc/09/72/19/1415097219.db2.gz BXHBVLLEHYQLFV-UHFFFAOYSA-N 0 0 345.384 2.683 10 5 EFBERN C=COc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC001556965002 1415098028 /nfs/dbraw/zinc/09/80/28/1415098028.db2.gz XEJBTNDXCZVANB-UHFFFAOYSA-N 0 0 342.307 2.947 10 5 EFBERN O=C(Nc1nc2cc3c(cc2[nH]1)OCO3)c1cc([N+](=O)[O-])ccc1F ZINC001556972164 1415098829 /nfs/dbraw/zinc/09/88/29/1415098829.db2.gz BIBORPSAPXIQSB-UHFFFAOYSA-N 0 0 344.258 2.591 10 5 EFBERN COC(=O)[C@H](C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001556992348 1415100207 /nfs/dbraw/zinc/10/02/07/1415100207.db2.gz WYVSMGPFRICMGH-SNVBAGLBSA-N 0 0 343.339 2.706 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(CCO)c1 ZINC001556999605 1415100763 /nfs/dbraw/zinc/10/07/63/1415100763.db2.gz UUOYJISQVCWJOR-UHFFFAOYSA-N 0 0 334.759 2.964 10 5 EFBERN Nc1c(C(=O)N2CC[C@H](CCCO)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001557007195 1415101711 /nfs/dbraw/zinc/10/17/11/1415101711.db2.gz OXDRWPOIJGPQOT-LBPRGKRZSA-N 0 0 343.383 2.565 10 5 EFBERN CC[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC001557036898 1415101964 /nfs/dbraw/zinc/10/19/64/1415101964.db2.gz PMXBYWRMAYJMCL-SWLSCSKDSA-N 0 0 328.796 2.702 10 5 EFBERN Nc1noc2cc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc12 ZINC001557102280 1415105579 /nfs/dbraw/zinc/10/55/79/1415105579.db2.gz FZIMRWYTEULDPX-UHFFFAOYSA-N 0 0 346.730 2.902 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@]1(F)c1ccccc1 ZINC001557129144 1415106849 /nfs/dbraw/zinc/10/68/49/1415106849.db2.gz UFHSREPRARZVQQ-RDJZCZTQSA-N 0 0 329.331 2.760 10 5 EFBERN COc1cc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC001557128243 1415106864 /nfs/dbraw/zinc/10/68/64/1415106864.db2.gz NLDYNQHQPSUXRZ-RDJZCZTQSA-N 0 0 330.315 2.971 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001557126356 1415106890 /nfs/dbraw/zinc/10/68/90/1415106890.db2.gz CWVDDGHRSRCQDF-WBVHZDCISA-N 0 0 330.315 2.971 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1noc(C(F)(F)F)n1 ZINC001557141493 1415107511 /nfs/dbraw/zinc/10/75/11/1415107511.db2.gz LUFRIEASVWXBSJ-RXMQYKEDSA-N 0 0 348.212 2.627 10 5 EFBERN CC(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n[nH]1 ZINC001557140690 1415107657 /nfs/dbraw/zinc/10/76/57/1415107657.db2.gz OOVVTSWFEYUOAG-UHFFFAOYSA-N 0 0 340.343 2.879 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)c2ccccc21 ZINC001557170961 1415110124 /nfs/dbraw/zinc/11/01/24/1415110124.db2.gz FEJMNYMMDUWAJK-ZDUSSCGKSA-N 0 0 325.324 2.945 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC001557207842 1415111974 /nfs/dbraw/zinc/11/19/74/1415111974.db2.gz FAUVEZDNELDQCJ-ZDUSSCGKSA-N 0 0 326.356 2.592 10 5 EFBERN Cc1ccc2n[nH]cc2c1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001557208049 1415112927 /nfs/dbraw/zinc/11/29/27/1415112927.db2.gz JKDYUIGHNSFBGH-UHFFFAOYSA-N 0 0 346.293 2.988 10 5 EFBERN O=C(Nc1c[nH]nc1Br)c1cc([N+](=O)[O-])ccc1Cl ZINC001557216007 1415113586 /nfs/dbraw/zinc/11/35/86/1415113586.db2.gz LLPBJPWLJZBBKJ-UHFFFAOYSA-N 0 0 345.540 2.986 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC2(CCCCC2)O1 ZINC001557299164 1415118838 /nfs/dbraw/zinc/11/88/38/1415118838.db2.gz MIHGDPHXCWGSQW-LBPRGKRZSA-N 0 0 333.388 2.741 10 5 EFBERN Cc1c(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC001557345916 1415121938 /nfs/dbraw/zinc/12/19/38/1415121938.db2.gz YCRZVNVMOINOLM-BZNIZROVSA-N 0 0 332.331 2.894 10 5 EFBERN CCc1ccncc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001557361184 1415122307 /nfs/dbraw/zinc/12/23/07/1415122307.db2.gz DJPNLVBTGNEBFC-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc2occc2c1 ZINC001557409024 1415124258 /nfs/dbraw/zinc/12/42/58/1415124258.db2.gz JLPPIBBAXCCKGZ-UHFFFAOYSA-N 0 0 329.287 2.992 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1NC(=O)C[C@@]12CCCC[C@@H]2C ZINC001557487383 1415127742 /nfs/dbraw/zinc/12/77/42/1415127742.db2.gz MKVXODFVSYCOIS-APPDUMDISA-N 0 0 349.362 2.868 10 5 EFBERN Cc1ccc(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)C2)cc1 ZINC001557530867 1415130155 /nfs/dbraw/zinc/13/01/55/1415130155.db2.gz AESGRVNDCLAOIG-UHFFFAOYSA-N 0 0 325.368 2.800 10 5 EFBERN O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1cc(F)ccc1[N+](=O)[O-] ZINC001557608181 1415133825 /nfs/dbraw/zinc/13/38/25/1415133825.db2.gz BVNXQSGJKGGXDI-NUEKZKHPSA-N 0 0 330.290 2.941 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC1SCCS1 ZINC001557669216 1415137169 /nfs/dbraw/zinc/13/71/69/1415137169.db2.gz PETYARASNDDMLH-UHFFFAOYSA-N 0 0 332.834 2.713 10 5 EFBERN O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001557767078 1415143326 /nfs/dbraw/zinc/14/33/26/1415143326.db2.gz JCMANRJBIXRBDZ-AULYBMBSSA-N 0 0 345.380 2.749 10 5 EFBERN Cc1ccc(O)cc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001557940221 1415151752 /nfs/dbraw/zinc/15/17/52/1415151752.db2.gz UNZDEDDTQQNXCT-UHFFFAOYSA-N 0 0 330.325 2.866 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC001557968951 1415153091 /nfs/dbraw/zinc/15/30/91/1415153091.db2.gz OFSLXWMPYYPGFS-AWEZNQCLSA-N 0 0 345.330 2.610 10 5 EFBERN O=C(N[C@H]1CCCn2nccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001558070893 1415158088 /nfs/dbraw/zinc/15/80/88/1415158088.db2.gz ZJKCXPGQXUOJCX-AWEZNQCLSA-N 0 0 325.328 2.538 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)c1ccccc1 ZINC001558074535 1415158182 /nfs/dbraw/zinc/15/81/82/1415158182.db2.gz CFVZIGZBYDFJIR-HNNXBMFYSA-N 0 0 342.351 2.995 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2cncnc2[C@H](C)C1 ZINC001558082027 1415158758 /nfs/dbraw/zinc/15/87/58/1415158758.db2.gz FUYCMCLGPYUVEO-SNVBAGLBSA-N 0 0 344.396 2.866 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)Cc2cncnc21 ZINC001558081665 1415158779 /nfs/dbraw/zinc/15/87/79/1415158779.db2.gz QUPYTBFHKUWXGB-VIFPVBQESA-N 0 0 332.747 2.798 10 5 EFBERN COc1nscc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001558175925 1415164480 /nfs/dbraw/zinc/16/44/80/1415164480.db2.gz LZMKNCAMCULSNP-UHFFFAOYSA-N 0 0 332.341 2.653 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001558202948 1415165580 /nfs/dbraw/zinc/16/55/80/1415165580.db2.gz GXOREUSLWWGVMD-HNNXBMFYSA-N 0 0 348.786 2.890 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN[C@H](c2ccc(F)cc2)C1 ZINC001558212621 1415166368 /nfs/dbraw/zinc/16/63/68/1415166368.db2.gz PGVYOBZAMOSNKU-AWEZNQCLSA-N 0 0 347.321 2.660 10 5 EFBERN CC(C)c1cc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)[nH]n1 ZINC001558222512 1415167064 /nfs/dbraw/zinc/16/70/64/1415167064.db2.gz PBVFPQHBTYQSRA-LLVKDONJSA-N 0 0 331.376 2.789 10 5 EFBERN CCOC1CC2(C[C@@H]2NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001558254842 1415168342 /nfs/dbraw/zinc/16/83/42/1415168342.db2.gz WOKXCBFDANAXPB-RHJSQNMRSA-N 0 0 339.779 2.518 10 5 EFBERN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCCS1 ZINC001558314515 1415172190 /nfs/dbraw/zinc/17/21/90/1415172190.db2.gz GFBJMMAVEVVDCT-AWEZNQCLSA-N 0 0 348.428 2.806 10 5 EFBERN CCc1ccc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558336719 1415174913 /nfs/dbraw/zinc/17/49/13/1415174913.db2.gz NGNUAFDPWCSWIW-UHFFFAOYSA-N 0 0 339.149 2.895 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001558373758 1415176587 /nfs/dbraw/zinc/17/65/87/1415176587.db2.gz WFMUMSCBIYEHSV-YQPCPPDFSA-N 0 0 340.383 2.802 10 5 EFBERN O=C(Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1)[C@@H]1CC1[N+](=O)[O-] ZINC001558441328 1415179836 /nfs/dbraw/zinc/17/98/36/1415179836.db2.gz ZBQINXQOYCGRCM-GMSGAONNSA-N 0 0 341.154 2.987 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1cccc2c1OCC2 ZINC001558505209 1415184197 /nfs/dbraw/zinc/18/41/97/1415184197.db2.gz OZQDFIAINQNYPG-UHFFFAOYSA-N 0 0 330.315 2.528 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001558549012 1415187708 /nfs/dbraw/zinc/18/77/08/1415187708.db2.gz HDDSEOGECMKSNK-CZMCAQCFSA-N 0 0 348.309 2.526 10 5 EFBERN CC(C)c1ccc(C(=O)NCc2coc(CN(C)C)n2)cc1[N+](=O)[O-] ZINC001558567765 1415190097 /nfs/dbraw/zinc/19/00/97/1415190097.db2.gz UDWNHORZZOMLKW-UHFFFAOYSA-N 0 0 346.387 2.698 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1cncs1)Cc1cncs1 ZINC001558586574 1415191410 /nfs/dbraw/zinc/19/14/10/1415191410.db2.gz WCRMUCYRYPZRBT-UHFFFAOYSA-N 0 0 349.397 2.679 10 5 EFBERN CCOc1ccc(C(=O)NCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC001558609976 1415192586 /nfs/dbraw/zinc/19/25/86/1415192586.db2.gz IEAJFRJLVGFIDO-WFASDCNBSA-N 0 0 336.388 2.665 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccc2c(c1)CCO2 ZINC001558612175 1415192782 /nfs/dbraw/zinc/19/27/82/1415192782.db2.gz QZEVRWHBQRTNAF-SECBINFHSA-N 0 0 345.330 2.742 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001558610226 1415192964 /nfs/dbraw/zinc/19/29/64/1415192964.db2.gz XHLSXRAFQIDFBD-NHYWBVRUSA-N 0 0 331.372 2.747 10 5 EFBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001558615762 1415193008 /nfs/dbraw/zinc/19/30/08/1415193008.db2.gz DBLKITWCKILABM-XIRDDKMYSA-N 0 0 330.384 2.665 10 5 EFBERN CCc1noc([C@@H]2CC[C@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC001558669162 1415193775 /nfs/dbraw/zinc/19/37/75/1415193775.db2.gz FNKVMRBZGDORJR-KOLCDFICSA-N 0 0 348.334 2.745 10 5 EFBERN Cc1ccc(NC(=O)CSC[C@H]2CCCCO2)c(N)c1[N+](=O)[O-] ZINC001558675499 1415194091 /nfs/dbraw/zinc/19/40/91/1415194091.db2.gz ANILWVDSXLQDKM-LLVKDONJSA-N 0 0 339.417 2.726 10 5 EFBERN Cc1ccc(NC(=O)c2noc3c2CCCCC3)c(N)c1[N+](=O)[O-] ZINC001558676997 1415194499 /nfs/dbraw/zinc/19/44/99/1415194499.db2.gz YNKLTGHZSXPDTB-UHFFFAOYSA-N 0 0 330.344 2.995 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)c(N)c1[N+](=O)[O-] ZINC001558676883 1415194658 /nfs/dbraw/zinc/19/46/58/1415194658.db2.gz UTHMXMQJQQYQRS-LBPRGKRZSA-N 0 0 349.387 2.792 10 5 EFBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001558689690 1415195213 /nfs/dbraw/zinc/19/52/13/1415195213.db2.gz CBGIBRKZVRNCEA-UHFFFAOYSA-N 0 0 339.355 2.819 10 5 EFBERN C[C@@H](O)C(C)(C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001558686035 1415195527 /nfs/dbraw/zinc/19/55/27/1415195527.db2.gz IMHBXUYLSJLPQK-VHSXEESVSA-N 0 0 344.795 2.539 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001558696542 1415196173 /nfs/dbraw/zinc/19/61/73/1415196173.db2.gz LONZNFYHNHCWSC-OAHLLOKOSA-N 0 0 329.356 2.959 10 5 EFBERN CNc1nccc(C(=O)Nc2ccc(C(C)(C)C)nc2)c1[N+](=O)[O-] ZINC001558695964 1415196509 /nfs/dbraw/zinc/19/65/09/1415196509.db2.gz RHGBYLNOYCHSJQ-UHFFFAOYSA-N 0 0 329.360 2.976 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001558714458 1415197131 /nfs/dbraw/zinc/19/71/31/1415197131.db2.gz SFZHPHKNPWSVRA-MNOVXSKESA-N 0 0 345.355 2.538 10 5 EFBERN CC(C)(C)c1coc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC001558742854 1415198632 /nfs/dbraw/zinc/19/86/32/1415198632.db2.gz IFDUXVXRHNLBAA-UHFFFAOYSA-N 0 0 336.323 2.532 10 5 EFBERN C[S@](=O)(=NC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001558770515 1415200470 /nfs/dbraw/zinc/20/04/70/1415200470.db2.gz GPUQOHPGOSZNTM-HSZRJFAPSA-N 0 0 337.332 2.613 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]1Cc1ccccc1 ZINC001558808747 1415203357 /nfs/dbraw/zinc/20/33/57/1415203357.db2.gz SQQFWUNOWYTZPA-ZIAGYGMSSA-N 0 0 325.368 2.786 10 5 EFBERN O=C(NCc1cccc(OC(F)(F)F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001558808061 1415203596 /nfs/dbraw/zinc/20/35/96/1415203596.db2.gz BMGWBTQRZIWAQX-UHFFFAOYSA-N 0 0 329.234 2.752 10 5 EFBERN O=C(Nc1cncc(C(F)(F)F)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001558821593 1415203932 /nfs/dbraw/zinc/20/39/32/1415203932.db2.gz DNXPIIBMRJTUDT-LBPRGKRZSA-N 0 0 341.245 2.681 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001558878223 1415208562 /nfs/dbraw/zinc/20/85/62/1415208562.db2.gz SLIFCMROVLYRJL-SNVBAGLBSA-N 0 0 328.340 2.560 10 5 EFBERN CN(C)c1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001558954644 1415213604 /nfs/dbraw/zinc/21/36/04/1415213604.db2.gz VYQFTVAGXNWMNJ-UHFFFAOYSA-N 0 0 334.763 2.639 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)N(C)C)ccn2)c1C ZINC001558956504 1415214129 /nfs/dbraw/zinc/21/41/29/1415214129.db2.gz NZMOWIVAFMSFEG-UHFFFAOYSA-N 0 0 342.355 2.561 10 5 EFBERN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CCCc2n[nH]cc21 ZINC001559004439 1415217410 /nfs/dbraw/zinc/21/74/10/1415217410.db2.gz NFXLDCISXZRWPY-ZDUSSCGKSA-N 0 0 337.339 2.925 10 5 EFBERN CC[C@H](C)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 ZINC001559026489 1415218889 /nfs/dbraw/zinc/21/88/89/1415218889.db2.gz MRGPMHMROHRMDB-VIFPVBQESA-N 0 0 332.316 2.520 10 5 EFBERN CCCOc1ccnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001559070641 1415223000 /nfs/dbraw/zinc/22/30/00/1415223000.db2.gz NVMYTWKQWBZYRX-UHFFFAOYSA-N 0 0 343.387 2.500 10 5 EFBERN C[S@](=O)Cc1cccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001559106758 1415224401 /nfs/dbraw/zinc/22/44/01/1415224401.db2.gz JZOCZMWQBICGPB-QHCPKHFHSA-N 0 0 338.360 2.848 10 5 EFBERN COC[C@@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001559123917 1415225117 /nfs/dbraw/zinc/22/51/17/1415225117.db2.gz BMQCQXINSNJKMY-GFCCVEGCSA-N 0 0 343.339 2.839 10 5 EFBERN NC(=O)C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC001559125071 1415225555 /nfs/dbraw/zinc/22/55/55/1415225555.db2.gz GBCFFRKXMDMYNY-GFCCVEGCSA-N 0 0 338.726 2.811 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@]3(C)CCCC[C@@H]3O)c2c1 ZINC001559128481 1415225593 /nfs/dbraw/zinc/22/55/93/1415225593.db2.gz WVMPPZSQSHGWTH-WMZOPIPTSA-N 0 0 345.399 2.927 10 5 EFBERN CCN(Cc1ccc(OC)cc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559135864 1415225618 /nfs/dbraw/zinc/22/56/18/1415225618.db2.gz ZUFJOOFRGQLJBR-UHFFFAOYSA-N 0 0 329.356 2.729 10 5 EFBERN COCc1nc(Sc2cccc(Br)c2[N+](=O)[O-])n[nH]1 ZINC001559137213 1415226680 /nfs/dbraw/zinc/22/66/80/1415226680.db2.gz RTQCWVABYOHHAO-UHFFFAOYSA-N 0 0 345.178 2.773 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001559183516 1415228405 /nfs/dbraw/zinc/22/84/05/1415228405.db2.gz XBWZIZOGJQEIAV-UHFFFAOYSA-N 0 0 345.237 2.867 10 5 EFBERN Cc1cc(N[C@@H]2CCn3ccnc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559195959 1415228456 /nfs/dbraw/zinc/22/84/56/1415228456.db2.gz APGAWTAKEHLDGN-CQSZACIVSA-N 0 0 336.355 2.536 10 5 EFBERN O=c1[nH]c(CNc2nc3ccccn3c2[N+](=O)[O-])nc2ccccc21 ZINC001559204503 1415229177 /nfs/dbraw/zinc/22/91/77/1415229177.db2.gz KFFZILLORRWIPT-UHFFFAOYSA-N 0 0 336.311 2.503 10 5 EFBERN COc1cc(NCc2ccc(CC(N)=O)cc2)c(Cl)cc1[N+](=O)[O-] ZINC001559204327 1415229236 /nfs/dbraw/zinc/22/92/36/1415229236.db2.gz DXCSOYNVGPQGLF-UHFFFAOYSA-N 0 0 349.774 2.897 10 5 EFBERN CS[C@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001559199562 1415229244 /nfs/dbraw/zinc/22/92/44/1415229244.db2.gz FJDFQQNBUKWOTK-JTQLQIEISA-N 0 0 334.357 2.993 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(Nc3cc(C4CC4)n(C)n3)c2c1 ZINC001559203518 1415229486 /nfs/dbraw/zinc/22/94/86/1415229486.db2.gz VMADCXZXQIRSHW-UHFFFAOYSA-N 0 0 339.355 2.928 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc3c(c2)CCO3)n1 ZINC001559208159 1415230034 /nfs/dbraw/zinc/23/00/34/1415230034.db2.gz XHWLNXZIFGHMGU-UHFFFAOYSA-N 0 0 332.337 2.863 10 5 EFBERN CCOc1cc(Nc2cccc(O[C@@H]3CC(=O)N3)c2)ccc1[N+](=O)[O-] ZINC001559212015 1415230062 /nfs/dbraw/zinc/23/00/62/1415230062.db2.gz YAGMKGRKPGJZFO-QGZVFWFLSA-N 0 0 343.339 2.962 10 5 EFBERN O=C1CC[C@H](c2cccc(Nc3c(Cl)cncc3[N+](=O)[O-])c2)N1 ZINC001559213545 1415230137 /nfs/dbraw/zinc/23/01/37/1415230137.db2.gz WWWHCFXOPFXMLU-GFCCVEGCSA-N 0 0 332.747 2.760 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCCC(F)(F)[C@H]2O)s1 ZINC001559211219 1415230249 /nfs/dbraw/zinc/23/02/49/1415230249.db2.gz IKISGWQBLHXIML-APPZFPTMSA-N 0 0 330.316 2.560 10 5 EFBERN CCOc1cc(Nc2cccc(O[C@H]3CC(=O)N3)c2)ccc1[N+](=O)[O-] ZINC001559212014 1415230377 /nfs/dbraw/zinc/23/03/77/1415230377.db2.gz YAGMKGRKPGJZFO-KRWDZBQOSA-N 0 0 343.339 2.962 10 5 EFBERN CCOC(=O)C1=CC[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001559236267 1415232469 /nfs/dbraw/zinc/23/24/69/1415232469.db2.gz CMCSLTJWOQHDJC-GFCCVEGCSA-N 0 0 345.330 2.768 10 5 EFBERN COc1cc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001559235869 1415232664 /nfs/dbraw/zinc/23/26/64/1415232664.db2.gz LSJBNXSTSJDSGP-OUAUKWLOSA-N 0 0 326.780 2.854 10 5 EFBERN COCc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1OC ZINC001559249607 1415233352 /nfs/dbraw/zinc/23/33/52/1415233352.db2.gz KWEVYHFOANZRNF-UHFFFAOYSA-N 0 0 331.328 2.592 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](O)c2cncs2)c(Br)c1 ZINC001559278725 1415235728 /nfs/dbraw/zinc/23/57/28/1415235728.db2.gz OYNMGTGPJDLFLK-JTQLQIEISA-N 0 0 344.190 2.959 10 5 EFBERN COC(=O)CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001559270804 1415235805 /nfs/dbraw/zinc/23/58/05/1415235805.db2.gz GFZMMQQGYCOWGU-NSHDSACASA-N 0 0 337.332 2.673 10 5 EFBERN Cc1cc(NCC[C@]2(O)C(=O)Nc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001559270475 1415235852 /nfs/dbraw/zinc/23/58/52/1415235852.db2.gz SJWVLQLIMNKUFL-QGZVFWFLSA-N 0 0 345.330 2.684 10 5 EFBERN COc1cc2c(cc1O)CCN(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C2 ZINC001559282066 1415236294 /nfs/dbraw/zinc/23/62/94/1415236294.db2.gz ZJQXVSLLWJUIKI-UHFFFAOYSA-N 0 0 345.311 2.780 10 5 EFBERN CC(C)(C)OC(=O)Nc1ccnc(CNc2ccncc2[N+](=O)[O-])c1 ZINC001559282132 1415236440 /nfs/dbraw/zinc/23/64/40/1415236440.db2.gz DLBLGUPMXWHJJC-UHFFFAOYSA-N 0 0 345.359 2.766 10 5 EFBERN CNC(=O)c1ccc(NCc2nc3cnccc3s2)c([N+](=O)[O-])c1 ZINC001559280121 1415236546 /nfs/dbraw/zinc/23/65/46/1415236546.db2.gz RKGCMBBARBVOFJ-UHFFFAOYSA-N 0 0 343.368 2.571 10 5 EFBERN CCc1nc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c[nH]1 ZINC001559289884 1415237192 /nfs/dbraw/zinc/23/71/92/1415237192.db2.gz AHLLOHRKUNUUQX-UHFFFAOYSA-N 0 0 338.371 2.680 10 5 EFBERN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(C(F)(F)F)n[nH]1 ZINC001559288953 1415237260 /nfs/dbraw/zinc/23/72/60/1415237260.db2.gz AGEXUMFWHCUFNQ-YFKPBYRVSA-N 0 0 341.253 2.781 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@H](c3ncccn3)C2)cc1OC(F)F ZINC001559287691 1415237350 /nfs/dbraw/zinc/23/73/50/1415237350.db2.gz ADKJWJWNKGSIIL-JTQLQIEISA-N 0 0 336.298 2.980 10 5 EFBERN C[C@H](CNc1ccc(S(C)(=O)=O)cn1)c1ccccc1[N+](=O)[O-] ZINC001559291994 1415237521 /nfs/dbraw/zinc/23/75/21/1415237521.db2.gz XDBSNYSVZUHJKY-LLVKDONJSA-N 0 0 335.385 2.609 10 5 EFBERN CC[C@H]1c2ccccc2CN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001559297387 1415237867 /nfs/dbraw/zinc/23/78/67/1415237867.db2.gz CJBOXUNMZAUBLC-ZDUSSCGKSA-N 0 0 347.396 2.714 10 5 EFBERN CC1(CNc2c(Cl)cncc2[N+](=O)[O-])CCC2(CC1)OCCO2 ZINC001559294976 1415238002 /nfs/dbraw/zinc/23/80/02/1415238002.db2.gz ICRUCDVZKLMPGX-UHFFFAOYSA-N 0 0 341.795 2.800 10 5 EFBERN COC(=O)c1ccc2cc(CCNc3ccncc3[N+](=O)[O-])oc2c1 ZINC001559300426 1415238096 /nfs/dbraw/zinc/23/80/96/1415238096.db2.gz PGKCAHXAWXXPMI-UHFFFAOYSA-N 0 0 341.323 2.599 10 5 EFBERN COC(=O)c1ccnc(NCc2nc(C(C)(C)C)co2)c1[N+](=O)[O-] ZINC001559299412 1415238111 /nfs/dbraw/zinc/23/81/11/1415238111.db2.gz FSDXFCARXWNBIK-UHFFFAOYSA-N 0 0 334.332 2.674 10 5 EFBERN Cc1nn(CC(=O)N[C@@H](C)c2cccs2)c2ncc([N+](=O)[O-])cc12 ZINC001559377578 1415241724 /nfs/dbraw/zinc/24/17/24/1415241724.db2.gz HKMAUDXDHXQBJS-JTQLQIEISA-N 0 0 345.384 2.587 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(Cc3ccccn3)n2)c1=O ZINC001559388478 1415242583 /nfs/dbraw/zinc/24/25/83/1415242583.db2.gz NOSOBZQFSDJPCX-UHFFFAOYSA-N 0 0 342.380 2.556 10 5 EFBERN O=C(Cc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC001559417844 1415243850 /nfs/dbraw/zinc/24/38/50/1415243850.db2.gz JVAVLIFVTUDKGX-UHFFFAOYSA-N 0 0 340.314 2.804 10 5 EFBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2ccc3ccc(Cl)cc3n2)n1 ZINC001559417944 1415244167 /nfs/dbraw/zinc/24/41/67/1415244167.db2.gz ORELFSPCAKFHJI-UHFFFAOYSA-N 0 0 333.691 2.949 10 5 EFBERN O=C(COc1cc([N+](=O)[O-])c(F)cc1F)Nc1cccnc1Cl ZINC001559424181 1415244556 /nfs/dbraw/zinc/24/45/56/1415244556.db2.gz YOZMOQITHTZUJR-UHFFFAOYSA-N 0 0 343.673 2.939 10 5 EFBERN COc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(F)cc2F)c1 ZINC001559429539 1415245376 /nfs/dbraw/zinc/24/53/76/1415245376.db2.gz BRILHIFSZYTUOS-UHFFFAOYSA-N 0 0 338.266 2.899 10 5 EFBERN Cc1ccc(-c2nc(Cn3cc([N+](=O)[O-])cc(F)c3=O)cs2)o1 ZINC001559429941 1415245557 /nfs/dbraw/zinc/24/55/57/1415245557.db2.gz NYLMVLYPPLFVKV-UHFFFAOYSA-N 0 0 335.316 2.969 10 5 EFBERN O=C(Cn1nnc(-c2ccccc2[N+](=O)[O-])n1)c1sccc1Cl ZINC001559474061 1415248538 /nfs/dbraw/zinc/24/85/38/1415248538.db2.gz BZEFIUQCXFSPKQ-UHFFFAOYSA-N 0 0 349.759 2.846 10 5 EFBERN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1O ZINC001559706181 1415253522 /nfs/dbraw/zinc/25/35/22/1415253522.db2.gz KEUDWLYOLDLXQC-NOZJJQNGSA-N 0 0 329.194 2.560 10 5 EFBERN C[C@H](NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cn[nH]c1 ZINC001559732151 1415254668 /nfs/dbraw/zinc/25/46/68/1415254668.db2.gz SPHGICKWDZRKKC-QMMMGPOBSA-N 0 0 348.750 2.872 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1CN1CCn2nccc2C1 ZINC001560025545 1415260767 /nfs/dbraw/zinc/26/07/67/1415260767.db2.gz GCUZAKLBNJKDFH-UHFFFAOYSA-N 0 0 337.177 2.570 10 5 EFBERN Cc1noc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001560068432 1415261897 /nfs/dbraw/zinc/26/18/97/1415261897.db2.gz PKHOAMADZMLDDO-NSHDSACASA-N 0 0 345.277 2.733 10 5 EFBERN Cc1c(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001560066432 1415261935 /nfs/dbraw/zinc/26/19/35/1415261935.db2.gz VABINETWVUELSP-KRWDZBQOSA-N 0 0 345.355 2.809 10 5 EFBERN COc1cccc2c1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001560069931 1415262545 /nfs/dbraw/zinc/26/25/45/1415262545.db2.gz ICBRDIWZJVNSAG-UHFFFAOYSA-N 0 0 327.340 2.558 10 5 EFBERN COC(=O)c1ccc2c(c1)N(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001560219363 1415268731 /nfs/dbraw/zinc/26/87/31/1415268731.db2.gz WKAIEUBAGVIKJQ-UHFFFAOYSA-N 0 0 342.351 2.823 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001560232004 1415269320 /nfs/dbraw/zinc/26/93/20/1415269320.db2.gz IMVZIOBGSBDATF-CABZTGNLSA-N 0 0 349.284 2.816 10 5 EFBERN CC(=O)c1cccc(OS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c1 ZINC001561059991 1415306858 /nfs/dbraw/zinc/30/68/58/1415306858.db2.gz PMTAHSHGYAITJW-UHFFFAOYSA-N 0 0 341.366 2.935 10 5 EFBERN CC(=O)c1ccc(OS(=O)(=O)C[C@H]2CCC2(F)F)c([N+](=O)[O-])c1 ZINC001561403725 1415315525 /nfs/dbraw/zinc/31/55/25/1415315525.db2.gz QXQBOAHWTXZPQV-SNVBAGLBSA-N 0 0 349.311 2.551 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001564559969 1415379608 /nfs/dbraw/zinc/37/96/08/1415379608.db2.gz ZOYMHXQZQNMYHO-CQSZACIVSA-N 0 0 341.367 2.575 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H](C)C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC001565214293 1415391625 /nfs/dbraw/zinc/39/16/25/1415391625.db2.gz RFRWVYQERMUJGF-IUODEOHRSA-N 0 0 347.371 2.808 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC001565214275 1415391865 /nfs/dbraw/zinc/39/18/65/1415391865.db2.gz QTRGFVMKNNDBAP-MRXNPFEDSA-N 0 0 349.412 2.672 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001565279803 1415392429 /nfs/dbraw/zinc/39/24/29/1415392429.db2.gz MAXWRNDOMGXOOK-KCQAQPDRSA-N 0 0 332.404 2.885 10 5 EFBERN C[C@@H](NC(=O)NC[C@@]1(O)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001565338390 1415393473 /nfs/dbraw/zinc/39/34/73/1415393473.db2.gz AFMBGTYNZIGNAP-PXAZEXFGSA-N 0 0 335.404 2.896 10 5 EFBERN C[C@H](CNC(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001565412441 1415395199 /nfs/dbraw/zinc/39/51/99/1415395199.db2.gz YZXLQUVBUJSITR-IVMMDQJWSA-N 0 0 347.415 2.765 10 5 EFBERN CC(C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1)=C1CCC1 ZINC001565502538 1415399366 /nfs/dbraw/zinc/39/93/66/1415399366.db2.gz XZHXGBOXQWTBEX-UHFFFAOYSA-N 0 0 329.400 2.739 10 5 EFBERN C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC001565584086 1415405260 /nfs/dbraw/zinc/40/52/60/1415405260.db2.gz JTTFCZXWDPXMGP-UHFFFAOYSA-N 0 0 335.404 2.637 10 5 EFBERN COc1ccccc1OCCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001565654937 1415409328 /nfs/dbraw/zinc/40/93/28/1415409328.db2.gz VSQQBCSMRVOJQX-UHFFFAOYSA-N 0 0 348.330 2.941 10 5 EFBERN Cc1nc(C)c([C@H](C)N(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001565677786 1415410052 /nfs/dbraw/zinc/41/00/52/1415410052.db2.gz HEOSJKMAEKYMMG-LURJTMIESA-N 0 0 343.796 2.878 10 5 EFBERN O=C(Cc1cccc2nsnc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC001565897217 1415445871 /nfs/dbraw/zinc/44/58/71/1415445871.db2.gz LKWOWLSCLSINOE-UHFFFAOYSA-N 0 0 340.364 2.731 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC001565906408 1415447040 /nfs/dbraw/zinc/44/70/40/1415447040.db2.gz OQNINMLKEFFUDO-ZDUSSCGKSA-N 0 0 338.335 2.599 10 5 EFBERN CO[C@]1(C)C[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001566010359 1415481753 /nfs/dbraw/zinc/48/17/53/1415481753.db2.gz HWRKHRDYPIJAKM-WMLDXEAASA-N 0 0 335.404 2.669 10 5 EFBERN CO[C@@]1(C)C[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001566010257 1415481931 /nfs/dbraw/zinc/48/19/31/1415481931.db2.gz HWRKHRDYPIJAKM-PBHICJAKSA-N 0 0 335.404 2.669 10 5 EFBERN C[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)cc1F ZINC001566055753 1415494351 /nfs/dbraw/zinc/49/43/51/1415494351.db2.gz QJJMBMHKBBBTFI-ZCFIWIBFSA-N 0 0 344.705 2.783 10 5 EFBERN C[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)cc1F ZINC001566055752 1415494554 /nfs/dbraw/zinc/49/45/54/1415494554.db2.gz QJJMBMHKBBBTFI-LURJTMIESA-N 0 0 344.705 2.783 10 5 EFBERN Cc1cc(C)cc(C[C@H](C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001566110514 1415516062 /nfs/dbraw/zinc/51/60/62/1415516062.db2.gz TXOBRZJXDDHHCI-LBPRGKRZSA-N 0 0 328.372 2.550 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)c2ccc(F)cc2O1 ZINC001566108024 1415516669 /nfs/dbraw/zinc/51/66/69/1415516669.db2.gz YKJBWRJZXSNDCV-SECBINFHSA-N 0 0 331.303 2.744 10 5 EFBERN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cn1C ZINC001566158481 1415532560 /nfs/dbraw/zinc/53/25/60/1415532560.db2.gz WULITLGJLSASBC-UHFFFAOYSA-N 0 0 335.291 2.501 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC001566297737 1415539013 /nfs/dbraw/zinc/53/90/13/1415539013.db2.gz NJADLZWDJQYKPL-UHFFFAOYSA-N 0 0 341.795 2.503 10 5 EFBERN O=C(NC[C@@H](O)C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001566332255 1415540894 /nfs/dbraw/zinc/54/08/94/1415540894.db2.gz AQLYSRLXGGMTFE-CYBMUJFWSA-N 0 0 326.780 2.919 10 5 EFBERN C[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001566372526 1415543557 /nfs/dbraw/zinc/54/35/57/1415543557.db2.gz YDUNHAXSHYZXKM-LLVKDONJSA-N 0 0 332.331 2.729 10 5 EFBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1CO ZINC001566372402 1415543668 /nfs/dbraw/zinc/54/36/68/1415543668.db2.gz UHVOFOOMPQZPGP-UHFFFAOYSA-N 0 0 334.303 2.796 10 5 EFBERN COc1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1CO ZINC001566372930 1415543763 /nfs/dbraw/zinc/54/37/63/1415543763.db2.gz QAPQTVZYJIWOOU-UHFFFAOYSA-N 0 0 348.330 2.806 10 5 EFBERN CC[C@@H](NC(=O)/C=C/[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC001566438037 1415547050 /nfs/dbraw/zinc/54/70/50/1415547050.db2.gz DXYXPCWNKKOIAG-MATWNZDUSA-N 0 0 334.372 2.870 10 5 EFBERN CCCCCN(CCO)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001566483375 1415576086 /nfs/dbraw/zinc/57/60/86/1415576086.db2.gz ZFNOPPKPKSLCMG-UHFFFAOYSA-N 0 0 345.399 2.955 10 5 EFBERN C[C@@](CO)(NC(=O)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001587297324 1415629744 /nfs/dbraw/zinc/62/97/44/1415629744.db2.gz VPPIACNHFJPUNL-INIZCTEOSA-N 0 0 336.294 2.511 10 5 EFBERN C[C@](CO)(NC(=O)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001587297325 1415629984 /nfs/dbraw/zinc/62/99/84/1415629984.db2.gz VPPIACNHFJPUNL-MRXNPFEDSA-N 0 0 336.294 2.511 10 5 EFBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H](O)Cc1ccccc1 ZINC001566617740 1415697999 /nfs/dbraw/zinc/69/79/99/1415697999.db2.gz GEMOBCRIKISXLW-NHYWBVRUSA-N 0 0 348.786 2.970 10 5 EFBERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001566727198 1415747443 /nfs/dbraw/zinc/74/74/43/1415747443.db2.gz UKCIXFLWPKMYAI-UONOGXRCSA-N 0 0 338.379 2.986 10 5 EFBERN CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001566942114 1415860670 /nfs/dbraw/zinc/86/06/70/1415860670.db2.gz OCULHQCCOGFROY-OIBJUYFYSA-N 0 0 345.758 2.514 10 5 EFBERN CC(C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001566968635 1415882325 /nfs/dbraw/zinc/88/23/25/1415882325.db2.gz ASYBZBRZWQXBMD-VIKVFOODSA-N 0 0 337.445 2.639 10 5 EFBERN CCc1cc(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2[nH]1 ZINC001567054754 1415917852 /nfs/dbraw/zinc/91/78/52/1415917852.db2.gz BTYSDHGPNUYFJU-UHFFFAOYSA-N 0 0 326.312 2.579 10 5 EFBERN C[C@]1(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CCCc2ccccc21 ZINC001567194673 1415986283 /nfs/dbraw/zinc/98/62/83/1415986283.db2.gz ZQSZBRKJDRRORC-GOSISDBHSA-N 0 0 340.383 2.596 10 5 EFBERN CN(CCNC(=O)c1c[nH]cc1C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001567311926 1416067444 /nfs/dbraw/zinc/06/74/44/1416067444.db2.gz KYUJIFBKLAIHDD-UHFFFAOYSA-N 0 0 342.399 2.662 10 5 EFBERN CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001567315173 1416069223 /nfs/dbraw/zinc/06/92/23/1416069223.db2.gz KZHGAAUMZSDXFX-INIZCTEOSA-N 0 0 344.342 2.972 10 5 EFBERN CCN(CCNC(=O)c1csnc1C)Cc1ccccc1[N+](=O)[O-] ZINC001567331043 1416077864 /nfs/dbraw/zinc/07/78/64/1416077864.db2.gz ZYOZQHYUXJSXIH-UHFFFAOYSA-N 0 0 348.428 2.612 10 5 EFBERN Cn1nc(C2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001567447523 1416142826 /nfs/dbraw/zinc/14/28/26/1416142826.db2.gz NQLUHPJHYJXZAI-UHFFFAOYSA-N 0 0 329.360 2.820 10 5 EFBERN Cc1ncsc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001567648293 1416227824 /nfs/dbraw/zinc/22/78/24/1416227824.db2.gz QARMPZYEWCRXRM-UHFFFAOYSA-N 0 0 330.728 2.987 10 5 EFBERN CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc2cccnc21 ZINC001567969360 1416346107 /nfs/dbraw/zinc/34/61/07/1416346107.db2.gz HEYJCFIEQMCAHH-QGZVFWFLSA-N 0 0 337.335 2.839 10 5 EFBERN COC(=O)c1ccccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001567986322 1416351118 /nfs/dbraw/zinc/35/11/18/1416351118.db2.gz CPNNALATGGUUNU-UHFFFAOYSA-N 0 0 342.351 2.696 10 5 EFBERN CN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001568211194 1416442154 /nfs/dbraw/zinc/44/21/54/1416442154.db2.gz BVRGAJHQSVXXCK-UHFFFAOYSA-N 0 0 342.779 2.591 10 5 EFBERN CCC/C(C)=C/C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001568391567 1416509765 /nfs/dbraw/zinc/50/97/65/1416509765.db2.gz SSHXQAWTJCYQIR-FMIVXFBMSA-N 0 0 343.387 2.813 10 5 EFBERN O=C(COc1cc([N+](=O)[O-])c(F)cc1F)NCc1cccs1 ZINC001643993739 1416547475 /nfs/dbraw/zinc/54/74/75/1416547475.db2.gz YJNVEWBZACWZDE-UHFFFAOYSA-N 0 0 328.296 2.630 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC(C)(C)CO1 ZINC001645728446 1416550173 /nfs/dbraw/zinc/55/01/73/1416550173.db2.gz XVJJDAYZLYTSIO-CYBMUJFWSA-N 0 0 335.404 2.962 10 5 EFBERN Cc1nc(C)c(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC001646074096 1416609184 /nfs/dbraw/zinc/60/91/84/1416609184.db2.gz GWFLFUPOKJEYGJ-UHFFFAOYSA-N 0 0 342.277 2.884 10 5 EFBERN C[S@](=O)(=NC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC001646119138 1416615757 /nfs/dbraw/zinc/61/57/57/1416615757.db2.gz MCSWTFDIKGDBJE-JOCHJYFZSA-N 0 0 325.390 2.748 10 5 EFBERN Nc1c(C(=O)NCc2cnccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC001646125013 1416616235 /nfs/dbraw/zinc/61/62/35/1416616235.db2.gz VCRXWTHPAZYMGV-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN Cc1cc(C(=O)N[C@H](CO)c2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC001646257310 1416638946 /nfs/dbraw/zinc/63/89/46/1416638946.db2.gz FFJNLMUAEAGPKS-OAHLLOKOSA-N 0 0 336.294 2.645 10 5 EFBERN COC(=O)c1coc(/C=C\C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001646258380 1416639029 /nfs/dbraw/zinc/63/90/29/1416639029.db2.gz CHMBTDRVXGVJEJ-XQRVVYSFSA-N 0 0 345.311 2.517 10 5 EFBERN Cc1ccc(NC(=O)c2cc(C(F)(F)F)ncn2)c(N)c1[N+](=O)[O-] ZINC001646260256 1416639475 /nfs/dbraw/zinc/63/94/75/1416639475.db2.gz YPJKSTIRKOCQGW-UHFFFAOYSA-N 0 0 341.249 2.547 10 5 EFBERN O=C(N[C@@H]1CO[C@H]1c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001646309767 1416645690 /nfs/dbraw/zinc/64/56/90/1416645690.db2.gz AOMNODMIRFXBEX-CABCVRRESA-N 0 0 348.305 2.943 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001687887066 1416668776 /nfs/dbraw/zinc/66/87/76/1416668776.db2.gz GWWOXQCQWXJVIL-GFCCVEGCSA-N 0 0 339.392 2.524 10 5 EFBERN C[C@@H](NC(=O)N1CCCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC001684042407 1416691734 /nfs/dbraw/zinc/69/17/34/1416691734.db2.gz DZLWHUHDRZKCIB-LLVKDONJSA-N 0 0 329.360 2.537 10 5 EFBERN C[C@H](NC(=O)N[C@H](CO)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001684062341 1416693810 /nfs/dbraw/zinc/69/38/10/1416693810.db2.gz DSUMORRFRWBICL-MEDUHNTESA-N 0 0 347.346 2.828 10 5 EFBERN C[C@H](CNC(=O)NC[C@@]1(C)CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001684397744 1416720814 /nfs/dbraw/zinc/72/08/14/1416720814.db2.gz VCDWERQRTMBZEV-MZMPZRCHSA-N 0 0 349.431 2.939 10 5 EFBERN C[C@H](CNC(=O)NC[C@@]1(C)CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC001684397751 1416720899 /nfs/dbraw/zinc/72/08/99/1416720899.db2.gz VCDWERQRTMBZEV-RPVQJOFSSA-N 0 0 349.431 2.939 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC001684832196 1416732347 /nfs/dbraw/zinc/73/23/47/1416732347.db2.gz XJMOCGJPLDTGQO-SNVBAGLBSA-N 0 0 345.359 2.721 10 5 EFBERN C[C@@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001685148956 1416750894 /nfs/dbraw/zinc/75/08/94/1416750894.db2.gz MMDGFSOZDXSMAW-GFCCVEGCSA-N 0 0 343.387 2.968 10 5 EFBERN O=C(N[C@H](c1ncccn1)C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001685412642 1416758794 /nfs/dbraw/zinc/75/87/94/1416758794.db2.gz KXMFKFWGLPMCJE-HNNXBMFYSA-N 0 0 339.355 2.561 10 5 EFBERN C[C@H](CNC(=O)NC[C@H](O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001685447227 1416764054 /nfs/dbraw/zinc/76/40/54/1416764054.db2.gz GBLPXDCVCVDQQJ-ABAIWWIYSA-N 0 0 349.412 2.793 10 5 EFBERN C[C@H](CNC(=O)NCC1(CCO)CCCC1)c1ccccc1[N+](=O)[O-] ZINC001685448015 1416764171 /nfs/dbraw/zinc/76/41/71/1416764171.db2.gz UYPGLDOKWWHXAE-CQSZACIVSA-N 0 0 349.431 2.940 10 5 EFBERN C[C@H](CNC(=O)NC[C@@H]1CCC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC001685448305 1416764205 /nfs/dbraw/zinc/76/42/05/1416764205.db2.gz ZYNJYVYTTYGEFN-MGPQQGTHSA-N 0 0 335.404 2.549 10 5 EFBERN C[C@@H](CNC(=O)NC[C@@H](O)c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001685447230 1416764232 /nfs/dbraw/zinc/76/42/32/1416764232.db2.gz GBLPXDCVCVDQQJ-XHDPSFHLSA-N 0 0 349.412 2.793 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](CCO)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC001685527209 1416766376 /nfs/dbraw/zinc/76/63/76/1416766376.db2.gz FRJKCHAYIYJOCL-OCCSQVGLSA-N 0 0 347.371 2.714 10 5 EFBERN C[C@@H](CNC(=O)N[C@H]1CC[C@@H](CO)CC1)c1ccccc1[N+](=O)[O-] ZINC001685527569 1416766391 /nfs/dbraw/zinc/76/63/91/1416766391.db2.gz ITIGTWZUJMIXCA-MELADBBJSA-N 0 0 335.404 2.549 10 5 EFBERN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001685635517 1416770071 /nfs/dbraw/zinc/77/00/71/1416770071.db2.gz AUTVJAHRDXCKHO-IAOVAPTHSA-N 0 0 344.415 2.615 10 5 EFBERN CC[C@H](NC(=O)N[C@H]1CCC2(C1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC001685905663 1416777779 /nfs/dbraw/zinc/77/77/79/1416777779.db2.gz NGWGDOQZPPYBJO-ZFWWWQNUSA-N 0 0 349.387 2.641 10 5 EFBERN CN(CCNC(=O)C1(F)CCCCC1)c1cccc(F)c1[N+](=O)[O-] ZINC001689820184 1417081657 /nfs/dbraw/zinc/08/16/57/1417081657.db2.gz AWLFHNITEHWPBH-UHFFFAOYSA-N 0 0 341.358 2.959 10 5 EFBERN C[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@H]1C ZINC001693597695 1417288090 /nfs/dbraw/zinc/28/80/90/1417288090.db2.gz KVEFPQPLENIODC-LALPHHSUSA-N 0 0 343.387 2.659 10 5 EFBERN CCOCCCCn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001696396534 1417292588 /nfs/dbraw/zinc/29/25/88/1417292588.db2.gz SSWGPGIWDCEEPM-UHFFFAOYSA-N 0 0 347.419 2.948 10 5 EFBERN CCC1(C(=O)N(C)C2CN(Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001699717645 1417460727 /nfs/dbraw/zinc/46/07/27/1417460727.db2.gz LPCBUXPEAVOEEL-UHFFFAOYSA-N 0 0 331.416 2.818 10 5 EFBERN Cc1ccc(F)c(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001713468881 1418547347 /nfs/dbraw/zinc/54/73/47/1418547347.db2.gz QQQPFAPADFJBAB-UHFFFAOYSA-N 0 0 345.374 2.904 10 5 EFBERN O=C(NC/C=C/CNCc1csc([N+](=O)[O-])c1)C1CC2(CCC2)C1 ZINC001715861381 1418691696 /nfs/dbraw/zinc/69/16/96/1418691696.db2.gz UOWTWNLCKJMZSE-OWOJBTEDSA-N 0 0 349.456 2.999 10 5 EFBERN O=C(NCC1(NCc2csc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC001723491138 1424511843 /nfs/dbraw/zinc/51/18/43/1424511843.db2.gz NAIAWSMKJAHAJA-UHFFFAOYSA-N 0 0 331.397 2.709 10 5 EFBERN O=C(NCC1(NCc2csc([N+](=O)[O-])c2)CC1)C1(CCF)CC1 ZINC001723544384 1424520362 /nfs/dbraw/zinc/52/03/62/1424520362.db2.gz OPGYWDAXHNDBIC-UHFFFAOYSA-N 0 0 341.408 2.535 10 5 EFBERN CN(C(=O)/C=C/C(C)(C)C)C1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001723741431 1424572246 /nfs/dbraw/zinc/57/22/46/1424572246.db2.gz HXSCDAZJYYPJJL-AATRIKPKSA-N 0 0 337.445 2.901 10 5 EFBERN CCCCC(=O)N1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001724616163 1424839628 /nfs/dbraw/zinc/83/96/28/1424839628.db2.gz IGYVZWXGFUAQAW-OKILXGFUSA-N 0 0 337.445 2.737 10 5 EFBERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000890595351 713103479 /nfs/dbraw/zinc/10/34/79/713103479.db2.gz JBCWGNMFHKVJDK-KGLIPLIRSA-N 0 0 334.372 2.835 10 5 EFBERN CC(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000305912203 713371276 /nfs/dbraw/zinc/37/12/76/713371276.db2.gz FYGQCERVUIYDNG-UHFFFAOYSA-N 0 0 330.182 2.870 10 5 EFBERN Cc1ccc(N2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1Br ZINC000804687964 713416764 /nfs/dbraw/zinc/41/67/64/713416764.db2.gz DUPJGOXSRKQSAT-AOOOYVTPSA-N 0 0 327.178 2.748 10 5 EFBERN O=C(N[C@@H](CO)c1ccsc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000807262787 713453153 /nfs/dbraw/zinc/45/31/53/713453153.db2.gz UVMMHRJRKBLXFQ-NSHDSACASA-N 0 0 326.761 2.773 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000890770129 713459594 /nfs/dbraw/zinc/45/95/94/713459594.db2.gz QLNAUKPONPJEQX-MLGOLLRUSA-N 0 0 326.356 2.865 10 5 EFBERN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000890769791 713459944 /nfs/dbraw/zinc/45/99/44/713459944.db2.gz APCCJSIMKGIXJO-IUODEOHRSA-N 0 0 326.356 2.865 10 5 EFBERN Cc1ccccc1[C@H](O)C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000804810064 713476685 /nfs/dbraw/zinc/47/66/85/713476685.db2.gz CZRGFWZJJLDTAN-MRXNPFEDSA-N 0 0 328.372 2.643 10 5 EFBERN O=C(OCCc1ccccc1[N+](=O)[O-])[C@H]1CCCN1c1nccs1 ZINC000120894853 713511817 /nfs/dbraw/zinc/51/18/17/713511817.db2.gz APTJIWWBFHFMDG-CQSZACIVSA-N 0 0 347.396 2.806 10 5 EFBERN O=C(OCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1c1nccs1 ZINC000120894782 713511848 /nfs/dbraw/zinc/51/18/48/713511848.db2.gz APTJIWWBFHFMDG-AWEZNQCLSA-N 0 0 347.396 2.806 10 5 EFBERN C[C@H](Cc1ccc(Br)cc1)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813103367 713520908 /nfs/dbraw/zinc/52/09/08/713520908.db2.gz PNQIVSGFWUHTEQ-NXEZZACHSA-N 0 0 330.178 2.836 10 5 EFBERN C[C@@H](COC(=O)CCc1ccc(Br)cc1F)[N+](=O)[O-] ZINC000813111511 713554814 /nfs/dbraw/zinc/55/48/14/713554814.db2.gz IPIOUUICXDUDCK-QMMMGPOBSA-N 0 0 334.141 2.729 10 5 EFBERN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](c2ncccn2)C1 ZINC000924329264 713604434 /nfs/dbraw/zinc/60/44/34/713604434.db2.gz TTWGSELGOKULFG-NSHDSACASA-N 0 0 330.319 2.544 10 5 EFBERN CC(=O)Nc1nc(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cs1 ZINC000177193532 717939184 /nfs/dbraw/zinc/93/91/84/717939184.db2.gz GNUWSRISFQDBMK-SECBINFHSA-N 0 0 332.385 2.961 10 5 EFBERN COc1ccc(CC(=O)OC/C=C\Br)cc1[N+](=O)[O-] ZINC000813932392 714040637 /nfs/dbraw/zinc/04/06/37/714040637.db2.gz CZMNBMCTAQYBMQ-DJWKRKHSSA-N 0 0 330.134 2.598 10 5 EFBERN CCC1(CC(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])COC1 ZINC000924343344 714055223 /nfs/dbraw/zinc/05/52/23/714055223.db2.gz GRZWNFFWIBPFLS-UHFFFAOYSA-N 0 0 327.308 2.602 10 5 EFBERN C[C@H]1CCC(=O)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000932876523 714113601 /nfs/dbraw/zinc/11/36/01/714113601.db2.gz MECSGHZVWHZNTK-VIFPVBQESA-N 0 0 327.178 2.911 10 5 EFBERN CCC[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000177789119 714294971 /nfs/dbraw/zinc/29/49/71/714294971.db2.gz HRNJOHGVNZZNNF-MNOVXSKESA-N 0 0 340.401 2.993 10 5 EFBERN O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000933086540 714462561 /nfs/dbraw/zinc/46/25/61/714462561.db2.gz CDGUMVMZQDDEMP-LQKXBSAESA-N 0 0 344.415 2.829 10 5 EFBERN O=c1c(Br)cncn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000090765193 714535715 /nfs/dbraw/zinc/53/57/15/714535715.db2.gz ANJILCLKAFFXSB-UHFFFAOYSA-N 0 0 344.552 2.616 10 5 EFBERN O=c1c(Br)cncn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000090765675 714538231 /nfs/dbraw/zinc/53/82/31/714538231.db2.gz LTVKYGAJAOUPNI-UHFFFAOYSA-N 0 0 344.552 2.616 10 5 EFBERN COC(=O)/C=C/c1ccc(NCCc2nccs2)c([N+](=O)[O-])c1 ZINC000050953679 714547163 /nfs/dbraw/zinc/54/71/63/714547163.db2.gz WZEFMULEUOOWRZ-HWKANZROSA-N 0 0 333.369 2.892 10 5 EFBERN CN1C[C@H](CCNc2cc(Br)ccc2[N+](=O)[O-])CC1=O ZINC000723396603 714605083 /nfs/dbraw/zinc/60/50/83/714605083.db2.gz ISUBQMFRYOJLGT-SECBINFHSA-N 0 0 342.193 2.638 10 5 EFBERN CN1C[C@H](CCNc2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000723398738 714605107 /nfs/dbraw/zinc/60/51/07/714605107.db2.gz YNTLRJOUMVILPP-SECBINFHSA-N 0 0 342.193 2.638 10 5 EFBERN COC(=O)c1c(C)cccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])o1 ZINC000096926805 714744087 /nfs/dbraw/zinc/74/40/87/714744087.db2.gz URLHGSDISYAWDA-VURMDHGXSA-N 0 0 330.296 2.935 10 5 EFBERN CC(=O)c1c(F)cncc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000891468496 714769856 /nfs/dbraw/zinc/76/98/56/714769856.db2.gz AODWQBQTCWGONF-UHFFFAOYSA-N 0 0 344.346 2.658 10 5 EFBERN O=C(C[C@@H]1CC[C@H](C2CC2)O1)OCCOc1ccccc1[N+](=O)[O-] ZINC000924360637 714782946 /nfs/dbraw/zinc/78/29/46/714782946.db2.gz QBWGZZWWJMEYBT-DZGCQCFKSA-N 0 0 335.356 2.865 10 5 EFBERN COc1ccc(COC(=O)C[C@@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000924360629 714784671 /nfs/dbraw/zinc/78/46/71/714784671.db2.gz PZBDLQGLUHQAMR-DZGCQCFKSA-N 0 0 335.356 2.994 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000744 718022922 /nfs/dbraw/zinc/02/29/22/718022922.db2.gz MOCBRKIKJHWQTP-UHFFFAOYSA-N 0 0 344.326 2.641 10 5 EFBERN CC(=O)c1c(F)cncc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000891862708 715072961 /nfs/dbraw/zinc/07/29/61/715072961.db2.gz WXEXMKWSFXRFBJ-UHFFFAOYSA-N 0 0 344.346 2.658 10 5 EFBERN COC(=O)c1cncc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000178398228 715097998 /nfs/dbraw/zinc/09/79/98/715097998.db2.gz MMWKZKOXPGDVDM-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000176166155 715161592 /nfs/dbraw/zinc/16/15/92/715161592.db2.gz PWXWKUQLDUHUJJ-ZDUSSCGKSA-N 0 0 346.387 2.566 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)c2ccc(C(N)=O)s2)cc1[N+](=O)[O-] ZINC000084807818 715285104 /nfs/dbraw/zinc/28/51/04/715285104.db2.gz NSHNZKUTPFRQLL-VIFPVBQESA-N 0 0 334.353 2.982 10 5 EFBERN COc1c(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)nn1C ZINC000084851915 715289251 /nfs/dbraw/zinc/28/92/51/715289251.db2.gz AEXJTVQTESFQAA-LLVKDONJSA-N 0 0 333.344 2.872 10 5 EFBERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176664109 715478371 /nfs/dbraw/zinc/47/83/71/715478371.db2.gz LOLVQIAJGYIVAG-LBPRGKRZSA-N 0 0 340.763 2.804 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000051706543 715542532 /nfs/dbraw/zinc/54/25/32/715542532.db2.gz UUIQEHGJZMAEMT-MRXNPFEDSA-N 0 0 336.388 2.996 10 5 EFBERN CC(C)[C@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000176678274 715550601 /nfs/dbraw/zinc/55/06/01/715550601.db2.gz JZJGBIKONLJSGV-AWEZNQCLSA-N 0 0 332.360 2.559 10 5 EFBERN CC(C)[C@H](CC1CCCCC1)C(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000176678507 715551693 /nfs/dbraw/zinc/55/16/93/715551693.db2.gz YTGDRQFWIQKSJG-AWEZNQCLSA-N 0 0 338.408 2.972 10 5 EFBERN COC[C@@H](COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000893455044 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334.372 2.894 10 5 EFBERN O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724588532 715711155 /nfs/dbraw/zinc/71/11/55/715711155.db2.gz APRDUQBDKWSXME-DVYJOKAKSA-N 0 0 343.177 2.573 10 5 EFBERN O=[N+]([O-])c1c(Br)cccc1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724593539 715724879 /nfs/dbraw/zinc/72/48/79/715724879.db2.gz FSYRVJVQIFFVBV-PTRXPTGYSA-N 0 0 343.177 2.573 10 5 EFBERN CC[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000928689456 724418849 /nfs/dbraw/zinc/41/88/49/724418849.db2.gz IWHORUCFYHPIOB-SNVBAGLBSA-N 0 0 340.351 2.832 10 5 EFBERN Cc1nc([N+](=O)[O-])c(Br)n1Cc1csc([N+](=O)[O-])c1 ZINC000102201961 715949616 /nfs/dbraw/zinc/94/96/16/715949616.db2.gz SLLMGROBKHDLQY-UHFFFAOYSA-N 0 0 347.150 2.880 10 5 EFBERN CCOc1cccc(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000161642160 716101955 /nfs/dbraw/zinc/10/19/55/716101955.db2.gz YMEMHFJUEBITPI-UHFFFAOYSA-N 0 0 329.356 2.548 10 5 EFBERN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000893502087 716145735 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C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000052719172 716496391 /nfs/dbraw/zinc/49/63/91/716496391.db2.gz SYENWYFZZZNHQP-LBPRGKRZSA-N 0 0 349.354 2.996 10 5 EFBERN C[C@H](C(=O)OC(C)(C)C)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000176822226 716702339 /nfs/dbraw/zinc/70/23/39/716702339.db2.gz IDHKMJZFHUJXEZ-SECBINFHSA-N 0 0 325.321 2.669 10 5 EFBERN CCCC(=O)N1CCC[C@H](C(=O)Oc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000125701926 716733494 /nfs/dbraw/zinc/73/34/94/716733494.db2.gz VRUHUQGQFQYPDV-ZDUSSCGKSA-N 0 0 334.372 2.847 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000176883813 716956192 /nfs/dbraw/zinc/95/61/92/716956192.db2.gz KUUQIURILSDZHM-UHFFFAOYSA-N 0 0 344.327 2.872 10 5 EFBERN C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])c1ccnn1C ZINC000931559649 716972778 /nfs/dbraw/zinc/97/27/78/716972778.db2.gz HPCBRPCBHRRIDV-SECBINFHSA-N 0 0 339.193 2.942 10 5 EFBERN CC(C)(CCC(=O)OCc1sncc1Br)[N+](=O)[O-] ZINC000893540613 717025676 /nfs/dbraw/zinc/02/56/76/717025676.db2.gz MBWQJXJRBCBXNX-UHFFFAOYSA-N 0 0 337.195 2.784 10 5 EFBERN CCCC(=O)N1CCC[C@H](C(=O)Oc2cc([N+](=O)[O-])ccc2C)C1 ZINC000125753020 717108325 /nfs/dbraw/zinc/10/83/25/717108325.db2.gz RFVCIDNKQRHYRD-ZDUSSCGKSA-N 0 0 334.372 2.847 10 5 EFBERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)O1 ZINC000091963606 717789522 /nfs/dbraw/zinc/78/95/22/717789522.db2.gz DLEWXUXCRYYTPC-WRWORJQWSA-N 0 0 329.150 2.863 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CCC2(CCC2)CO1 ZINC000924209872 718059413 /nfs/dbraw/zinc/05/94/13/718059413.db2.gz KEMQVKOJQSGZRE-CYBMUJFWSA-N 0 0 336.363 2.742 10 5 EFBERN CC(C)[C@@H](CCc1ccccc1)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000066232521 718151470 /nfs/dbraw/zinc/15/14/70/718151470.db2.gz ALUJCRUMODVHKB-OAHLLOKOSA-N 0 0 331.372 2.992 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000066518644 718241429 /nfs/dbraw/zinc/24/14/29/718241429.db2.gz BNPYCXODQRBRFI-KGLIPLIRSA-N 0 0 333.319 2.586 10 5 EFBERN C[C@@H](CCNc1cccc(Br)c1[N+](=O)[O-])[S@](C)=O ZINC000310787475 718299406 /nfs/dbraw/zinc/29/94/06/718299406.db2.gz ABPSNUJTLQFFIA-ASCAZGACSA-N 0 0 335.223 2.926 10 5 EFBERN C[C@@H](CCNc1cccc(Br)c1[N+](=O)[O-])[S@@](C)=O ZINC000310787477 718299566 /nfs/dbraw/zinc/29/95/66/718299566.db2.gz ABPSNUJTLQFFIA-DCXZOGHSSA-N 0 0 335.223 2.926 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@]12CCO[C@H]1CCCC2 ZINC000924218910 718592022 /nfs/dbraw/zinc/59/20/22/718592022.db2.gz FHVXTGUMUFEKPE-DOTOQJQBSA-N 0 0 335.356 2.996 10 5 EFBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@]12CCO[C@H]1CCCC2 ZINC000924218918 718592380 /nfs/dbraw/zinc/59/23/80/718592380.db2.gz FJLANFLVLDAXSR-DOTOQJQBSA-N 0 0 335.356 2.866 10 5 EFBERN O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@]12CCO[C@@H]1CCCC2 ZINC000924218919 718592776 /nfs/dbraw/zinc/59/27/76/718592776.db2.gz FJLANFLVLDAXSR-NVXWUHKLSA-N 0 0 335.356 2.866 10 5 EFBERN CC[C@@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000311420942 718700218 /nfs/dbraw/zinc/70/02/18/718700218.db2.gz MNNLVQDEMCHISU-MRVPVSSYSA-N 0 0 330.182 2.870 10 5 EFBERN COCC[C@@H](COC)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000311870222 718932464 /nfs/dbraw/zinc/93/24/64/718932464.db2.gz WTFGWZMWUYYJQB-JTQLQIEISA-N 0 0 333.182 2.821 10 5 EFBERN COCC1CC(OC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000893638729 718963684 /nfs/dbraw/zinc/96/36/84/718963684.db2.gz DTRILIJAHFNGKH-UHFFFAOYSA-N 0 0 331.271 2.778 10 5 EFBERN CCC(C)(C)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000008070345 719016231 /nfs/dbraw/zinc/01/62/31/719016231.db2.gz IBXFCKPLKROHFG-UHFFFAOYSA-N 0 0 328.752 2.710 10 5 EFBERN O=C(NC1(c2ncccn2)CCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000893657570 719181362 /nfs/dbraw/zinc/18/13/62/719181362.db2.gz ACSGGULPQDPDOH-UHFFFAOYSA-N 0 0 332.747 2.847 10 5 EFBERN CN(CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CC(F)(F)F ZINC000118910230 719415799 /nfs/dbraw/zinc/41/57/99/719415799.db2.gz ISPZOEHSGDVIFX-UHFFFAOYSA-N 0 0 340.685 2.899 10 5 EFBERN O=[N+]([O-])c1cnn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000107895637 719585043 /nfs/dbraw/zinc/58/50/43/719585043.db2.gz LTEGLWDOWBGHAZ-UHFFFAOYSA-N 0 0 336.779 2.698 10 5 EFBERN Cc1nc(CC(F)(F)F)sc1CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000893158178 719765174 /nfs/dbraw/zinc/76/51/74/719765174.db2.gz FEBJCODVZILYFD-UHFFFAOYSA-N 0 0 340.323 2.697 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000026115965 724618383 /nfs/dbraw/zinc/61/83/83/724618383.db2.gz XRGCQLCNZAXHTJ-UHFFFAOYSA-N 0 0 343.291 2.672 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000122817023 719798703 /nfs/dbraw/zinc/79/87/03/719798703.db2.gz LUTJDYQAZZDMNO-DYVFJYSZSA-N 0 0 349.431 2.722 10 5 EFBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000122817358 719798861 /nfs/dbraw/zinc/79/88/61/719798861.db2.gz LUTJDYQAZZDMNO-CXAGYDPISA-N 0 0 349.431 2.722 10 5 EFBERN CC[S@](=O)CCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000234094113 719855128 /nfs/dbraw/zinc/85/51/28/719855128.db2.gz NBBLHTGZIATNCD-SFHVURJKSA-N 0 0 335.223 2.846 10 5 EFBERN C[C@H](OC(=O)CNC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000021664493 724634008 /nfs/dbraw/zinc/63/40/08/724634008.db2.gz GWHAKHFGKVEHSD-JTQLQIEISA-N 0 0 334.353 2.691 10 5 EFBERN CCS(=O)(CC)=NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000925884635 719988488 /nfs/dbraw/zinc/98/84/88/719988488.db2.gz ZNCYVLKLBFQYDP-UHFFFAOYSA-N 0 0 336.316 2.844 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2c3ccccc3CC[C@H]2F)n1 ZINC000893726698 720063115 /nfs/dbraw/zinc/06/31/15/720063115.db2.gz XIPXOMBOPGTTCE-IUODEOHRSA-N 0 0 333.319 2.994 10 5 EFBERN C[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000893809589 720097252 /nfs/dbraw/zinc/09/72/52/720097252.db2.gz YFGTWUWEGDYECB-IBGZPJMESA-N 0 0 340.379 2.742 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)Cn2nccc21 ZINC000893885943 720141978 /nfs/dbraw/zinc/14/19/78/720141978.db2.gz IEZRTKSKCWEHDA-OQZOHAQUSA-N 0 0 326.356 2.878 10 5 EFBERN C[C@H]1Cn2nccc2N(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000893887664 720142381 /nfs/dbraw/zinc/14/23/81/720142381.db2.gz UEPUDORHYDMZAG-SNVBAGLBSA-N 0 0 336.298 2.566 10 5 EFBERN CCNc1ccc(C(=O)N2C[C@@H](C)Cn3nccc32)cc1[N+](=O)[O-] ZINC000893900698 720146515 /nfs/dbraw/zinc/14/65/15/720146515.db2.gz JBUCXGSOABOJAC-LLVKDONJSA-N 0 0 329.360 2.520 10 5 EFBERN C[C@H]1Cn2nccc2N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000893888322 720150789 /nfs/dbraw/zinc/15/07/89/720150789.db2.gz ZLLCEASCUSTSQR-LLVKDONJSA-N 0 0 346.362 2.891 10 5 EFBERN C[C@H]1Cn2nccc2N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000893892582 720152924 /nfs/dbraw/zinc/15/29/24/720152924.db2.gz VVDPLBGOEWJLJI-GFCCVEGCSA-N 0 0 328.372 2.752 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@]12CCCO2 ZINC000893925697 720164335 /nfs/dbraw/zinc/16/43/35/720164335.db2.gz WQNBFLPWSVIFMD-WBVHZDCISA-N 0 0 334.372 2.582 10 5 EFBERN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ncc2Br)n1 ZINC000312197364 720176768 /nfs/dbraw/zinc/17/67/68/720176768.db2.gz BQBSRQDINWCHEQ-UHFFFAOYSA-N 0 0 337.133 2.708 10 5 EFBERN 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Cc1noc(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001560182615 1126208639 /nfs/dbraw/zinc/20/86/39/1126208639.db2.gz GRDQYGJUJJJXOX-OAHLLOKOSA-N 0 0 339.779 2.628 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC=C(c2ccccn2)C1 ZINC001569573960 1085391463 /nfs/dbraw/zinc/39/14/63/1085391463.db2.gz OFNLXCWSYQXDCP-UHFFFAOYSA-N 0 0 341.342 2.987 10 5 EFBERN COc1ccc(CC(=O)NCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC001569854924 1085678587 /nfs/dbraw/zinc/67/85/87/1085678587.db2.gz ZAUNTMJMNHMBBI-UHFFFAOYSA-N 0 0 341.323 2.604 10 5 EFBERN CON(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1C ZINC001569957425 1085785393 /nfs/dbraw/zinc/78/53/93/1085785393.db2.gz HBKKDMLDJSQQTD-NSHDSACASA-N 0 0 330.344 2.645 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC001570047417 1085902477 /nfs/dbraw/zinc/90/24/77/1085902477.db2.gz GLIFPWHTFNZLHP-BDJLRTHQSA-N 0 0 332.331 2.894 10 5 EFBERN COc1cc(C(=O)Nc2cccc3[nH]c(=O)oc32)c([N+](=O)[O-])cc1F ZINC001570055919 1085910566 /nfs/dbraw/zinc/91/05/66/1085910566.db2.gz WEIFGXVLVFOTOM-UHFFFAOYSA-N 0 0 347.258 2.842 10 5 EFBERN CC(=O)C1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC001570119255 1085963513 /nfs/dbraw/zinc/96/35/13/1085963513.db2.gz ZGIHUWQGPKEPEB-UHFFFAOYSA-N 0 0 325.324 2.508 10 5 EFBERN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccn(C)n1 ZINC001570223044 1086065084 /nfs/dbraw/zinc/06/50/84/1086065084.db2.gz QWQFOCWIAQLADH-LBPRGKRZSA-N 0 0 346.390 2.906 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2ccncn2)CC1 ZINC001570310419 1086139654 /nfs/dbraw/zinc/13/96/54/1086139654.db2.gz ATFVDWRELZZRFX-UHFFFAOYSA-N 0 0 344.346 2.852 10 5 EFBERN Cc1cc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cc(=O)[nH]1 ZINC001570471815 1086261804 /nfs/dbraw/zinc/26/18/04/1086261804.db2.gz RQKZVOQGHAMVSX-UHFFFAOYSA-N 0 0 349.774 2.906 10 5 EFBERN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC001570487981 1086280440 /nfs/dbraw/zinc/28/04/40/1086280440.db2.gz QAYWKUNCCOFGGP-UHFFFAOYSA-N 0 0 338.316 2.512 10 5 EFBERN CC(C)c1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)n[nH]1 ZINC001570589560 1086386073 /nfs/dbraw/zinc/38/60/73/1086386073.db2.gz HHMCSVRGBHUMFP-UHFFFAOYSA-N 0 0 346.343 2.855 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC001570668348 1086449613 /nfs/dbraw/zinc/44/96/13/1086449613.db2.gz OFHGFFDQFVWICA-QFYYESIMSA-N 0 0 343.339 2.804 10 5 EFBERN Cc1noc2ncc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)cc12 ZINC001570745103 1086496034 /nfs/dbraw/zinc/49/60/34/1086496034.db2.gz HKGKBTLQXYQWBJ-UHFFFAOYSA-N 0 0 348.265 2.648 10 5 EFBERN COc1nc(C)ccc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001570747835 1086497366 /nfs/dbraw/zinc/49/73/66/1086497366.db2.gz XXCSJBGKJFQZEM-UHFFFAOYSA-N 0 0 337.282 2.515 10 5 EFBERN Cc1c(C(=O)Nc2ccc(CO)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001570791358 1086519989 /nfs/dbraw/zinc/51/99/89/1086519989.db2.gz MYLLLCSAKKZOAX-UHFFFAOYSA-N 0 0 345.311 2.864 10 5 EFBERN CC(C)Nc1cccc(F)c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001570860846 1086573962 /nfs/dbraw/zinc/57/39/62/1086573962.db2.gz BPMBLOXJRBNYPX-UHFFFAOYSA-N 0 0 335.339 2.780 10 5 EFBERN O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001570899888 1086600566 /nfs/dbraw/zinc/60/05/66/1086600566.db2.gz DYNAAZZOCUTGEZ-HLUHBDAQSA-N 0 0 328.727 2.685 10 5 EFBERN C/C=C(\C)C(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001571684564 1087046350 /nfs/dbraw/zinc/04/63/50/1087046350.db2.gz NWXVLSAQYSSESC-LZWSPWQCSA-N 0 0 329.400 2.809 10 5 EFBERN Cc1ncoc1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001646466038 1087783623 /nfs/dbraw/zinc/78/36/23/1087783623.db2.gz FLXUSKICJJRJBD-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](c2ncccn2)C1 ZINC001646569653 1087877849 /nfs/dbraw/zinc/87/78/49/1087877849.db2.gz IVFGHAFQZDTQDF-LBPRGKRZSA-N 0 0 349.350 2.563 10 5 EFBERN O=C(Nc1cccnc1C1CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001647141761 1088985965 /nfs/dbraw/zinc/98/59/65/1088985965.db2.gz VGKZFGSNIZWKAR-UHFFFAOYSA-N 0 0 327.296 2.848 10 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/nfs/dbraw/zinc/94/29/72/1089942972.db2.gz AVJCACKNMHXMHW-GFCCVEGCSA-N 0 0 327.340 2.869 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCOc2cc(F)ccc2C1 ZINC001648149248 1089950985 /nfs/dbraw/zinc/95/09/85/1089950985.db2.gz ANUXGQMRDOZOCY-UHFFFAOYSA-N 0 0 334.278 2.908 10 5 EFBERN O=C(Nc1ncccc1CO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001648152350 1089951027 /nfs/dbraw/zinc/95/10/27/1089951027.db2.gz FLEIUAAVLHSEAA-UHFFFAOYSA-N 0 0 325.683 2.527 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2cc(F)ccc2N(C)C)c1[N+](=O)[O-] ZINC001648246924 1089968083 /nfs/dbraw/zinc/96/80/83/1089968083.db2.gz WRKDOZRUSZSMFR-VIFPVBQESA-N 0 0 349.366 2.576 10 5 EFBERN Cc1ccc(NC(=O)CSCc2ccccn2)c(N)c1[N+](=O)[O-] ZINC001648295606 1089972244 /nfs/dbraw/zinc/97/22/44/1089972244.db2.gz NAVNBMMSTPJGRK-UHFFFAOYSA-N 0 0 332.385 2.752 10 5 EFBERN Cc1ccc(NC(=O)CSCc2cccnc2)c(N)c1[N+](=O)[O-] ZINC001648296279 1089973153 /nfs/dbraw/zinc/97/31/53/1089973153.db2.gz XUIKGHFFNAZWLY-UHFFFAOYSA-N 0 0 332.385 2.752 10 5 EFBERN Cc1nc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c2ccccn12 ZINC001648295517 1089973166 /nfs/dbraw/zinc/97/31/66/1089973166.db2.gz JTZIUZXPSVZKIF-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001648296047 1089973188 /nfs/dbraw/zinc/97/31/88/1089973188.db2.gz UDKIBLJZKSRKES-XMMPIXPASA-N 0 0 347.396 2.865 10 5 EFBERN Cc1ccc(NC(=O)c2ccc(OCC3CC3)nc2)c(N)c1[N+](=O)[O-] ZINC001648295844 1089973282 /nfs/dbraw/zinc/97/32/82/1089973282.db2.gz OHQLYRYVURWCNX-UHFFFAOYSA-N 0 0 342.355 2.922 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCCCC2)c(N)c1[N+](=O)[O-] ZINC001648295942 1089973901 /nfs/dbraw/zinc/97/39/01/1089973901.db2.gz RIDHPAPMGPSBDE-LLVKDONJSA-N 0 0 348.403 2.509 10 5 EFBERN COC(=O)c1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001648299194 1089975844 /nfs/dbraw/zinc/97/58/44/1089975844.db2.gz NYJZIIJUSVRXEW-UHFFFAOYSA-N 0 0 329.312 2.524 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1C(F)(F)F ZINC001648299475 1089976172 /nfs/dbraw/zinc/97/61/72/1089976172.db2.gz QHDVVWWMEONWGQ-UHFFFAOYSA-N 0 0 343.265 2.788 10 5 EFBERN CCOC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCC1(F)F ZINC001620463898 1090373898 /nfs/dbraw/zinc/37/38/98/1090373898.db2.gz YIHSVMKBMXBEMM-LBPRGKRZSA-N 0 0 346.305 2.754 10 5 EFBERN CCOC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCC1(F)F ZINC001620463897 1090373932 /nfs/dbraw/zinc/37/39/32/1090373932.db2.gz YIHSVMKBMXBEMM-GFCCVEGCSA-N 0 0 346.305 2.754 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ncccc1C ZINC001620665015 1091117676 /nfs/dbraw/zinc/11/76/76/1091117676.db2.gz UMMLBJZINRAWRF-CYBMUJFWSA-N 0 0 328.372 2.896 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@]23CCOC3)c1 ZINC001620678554 1091126746 /nfs/dbraw/zinc/12/67/46/1091126746.db2.gz BFKJZPIGPQTZIO-KRWDZBQOSA-N 0 0 334.372 2.526 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc2c1OCCCO2 ZINC001583106829 1091899535 /nfs/dbraw/zinc/89/95/35/1091899535.db2.gz RKVRZPVKMKJJAT-UHFFFAOYSA-N 0 0 344.323 2.774 10 5 EFBERN CNc1c(C(=O)NCc2cccc(C)c2OC)cccc1[N+](=O)[O-] ZINC001583098553 1091899600 /nfs/dbraw/zinc/89/96/00/1091899600.db2.gz LZVGNSNDYZFLAW-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001583232075 1091939480 /nfs/dbraw/zinc/93/94/80/1091939480.db2.gz XGHIIMMRZSFIKM-UHFFFAOYSA-N 0 0 347.375 2.574 10 5 EFBERN COc1ccccc1C(C)(C)C(=O)Nc1ncc([N+](=O)[O-])cc1OC ZINC001583230768 1091939584 /nfs/dbraw/zinc/93/95/84/1091939584.db2.gz BGBUCGZNKYIWIR-UHFFFAOYSA-N 0 0 345.355 2.923 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C(F)(F)c1ccccc1F ZINC001583230741 1091939694 /nfs/dbraw/zinc/93/96/94/1091939694.db2.gz AIVCURUWWYZQPX-UHFFFAOYSA-N 0 0 341.245 2.868 10 5 EFBERN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnccn1 ZINC001583243703 1091942409 /nfs/dbraw/zinc/94/24/09/1091942409.db2.gz BFPJKURGTLQDLN-MRVPVSSYSA-N 0 0 340.261 2.895 10 5 EFBERN C[C@@H](OC(=O)/C=C/c1ccc(C(N)=O)o1)c1ccccc1[N+](=O)[O-] ZINC001583242923 1091942488 /nfs/dbraw/zinc/94/24/88/1091942488.db2.gz PCVYZLSRBRDYGY-TTZKWOQHSA-N 0 0 330.296 2.604 10 5 EFBERN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001583302396 1091957887 /nfs/dbraw/zinc/95/78/87/1091957887.db2.gz HFLLRHDNIMKQHH-TUAOUCFPSA-N 0 0 347.415 2.630 10 5 EFBERN COC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001583359716 1091977519 /nfs/dbraw/zinc/97/75/19/1091977519.db2.gz SUWCUAJRFSSPNI-UHFFFAOYSA-N 0 0 344.327 2.632 10 5 EFBERN CC1(C)CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001583366122 1091979699 /nfs/dbraw/zinc/97/96/99/1091979699.db2.gz KJTCYTMGFNWDHY-AWEZNQCLSA-N 0 0 326.356 2.795 10 5 EFBERN COc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)C2 ZINC001583423009 1091996336 /nfs/dbraw/zinc/99/63/36/1091996336.db2.gz MSYIDJGEJVWGTH-UHFFFAOYSA-N 0 0 327.340 2.505 10 5 EFBERN Cc1cc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)ccc1[N+](=O)[O-] ZINC001583524766 1092025382 /nfs/dbraw/zinc/02/53/82/1092025382.db2.gz XYUCQSJZZBMYGL-KRWDZBQOSA-N 0 0 331.372 2.538 10 5 EFBERN COC(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001583545177 1092032725 /nfs/dbraw/zinc/03/27/25/1092032725.db2.gz NMMPBHBOKVTYNK-UHFFFAOYSA-N 0 0 334.353 2.933 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CSc3ccccc32)n1 ZINC001583590975 1092046812 /nfs/dbraw/zinc/04/68/12/1092046812.db2.gz NFTQTMDGHUAOPZ-NSHDSACASA-N 0 0 329.381 2.918 10 5 EFBERN CCC[C@H](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001583615905 1092049719 /nfs/dbraw/zinc/04/97/19/1092049719.db2.gz OCSCQIULISUEHN-AWEZNQCLSA-N 0 0 349.431 2.988 10 5 EFBERN O=C(N[C@H]1CCCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001583632014 1092051717 /nfs/dbraw/zinc/05/17/17/1092051717.db2.gz SYMFNSBAMMDCPP-AWEZNQCLSA-N 0 0 341.367 2.956 10 5 EFBERN COC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001583641170 1092053229 /nfs/dbraw/zinc/05/32/29/1092053229.db2.gz UDYXGZFWKRUKSP-UHFFFAOYSA-N 0 0 340.335 2.580 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2cc(F)cnc21 ZINC001583711682 1092060447 /nfs/dbraw/zinc/06/04/47/1092060447.db2.gz WKZWRKICIAHDFS-UHFFFAOYSA-N 0 0 338.298 2.880 10 5 EFBERN Cc1ccc(N(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCO[C@H]2C)cc1Cl ZINC001583976691 1092092407 /nfs/dbraw/zinc/09/24/07/1092092407.db2.gz FXNVKHRXRUZJGX-MMMKDXCPSA-N 0 0 338.791 2.824 10 5 EFBERN Cc1c(Cl)cncc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001583977335 1092092940 /nfs/dbraw/zinc/09/29/40/1092092940.db2.gz IPVLTQPHJDZICH-UHFFFAOYSA-N 0 0 345.746 2.940 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ncc2cc(Cl)ccn21 ZINC001583999330 1092094711 /nfs/dbraw/zinc/09/47/11/1092094711.db2.gz WWROKGVJBVDWCY-UHFFFAOYSA-N 0 0 344.758 2.868 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC(=O)N2 ZINC001583999126 1092095143 /nfs/dbraw/zinc/09/51/43/1092095143.db2.gz SBLANMIGSRKQAW-UHFFFAOYSA-N 0 0 341.323 2.629 10 5 EFBERN COc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)nc1 ZINC001584068439 1092105454 /nfs/dbraw/zinc/10/54/54/1092105454.db2.gz GQZFAKZEIGJCAV-UHFFFAOYSA-N 0 0 339.311 2.641 10 5 EFBERN O=C(NCCC1CC=CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001584119129 1092113667 /nfs/dbraw/zinc/11/36/67/1092113667.db2.gz ORIDLBWMJOILAO-INIZCTEOSA-N 0 0 329.356 2.560 10 5 EFBERN CC[C@@H](OC(=O)c1cn2c(n1)COCC2)c1cccc([N+](=O)[O-])c1 ZINC001584250984 1092132033 /nfs/dbraw/zinc/13/20/33/1092132033.db2.gz RAOHQOYZVYMWHI-CQSZACIVSA-N 0 0 331.328 2.630 10 5 EFBERN CC[C@@H](OC(=O)c1cc(C)c(C(N)=O)cn1)c1cccc([N+](=O)[O-])c1 ZINC001584251195 1092133273 /nfs/dbraw/zinc/13/32/73/1092133273.db2.gz WOOIJJPMVNDAQQ-OAHLLOKOSA-N 0 0 343.339 2.705 10 5 EFBERN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001584301618 1092140501 /nfs/dbraw/zinc/14/05/01/1092140501.db2.gz RZZSNVYSLXXKDH-UHFFFAOYSA-N 0 0 343.339 2.733 10 5 EFBERN CNC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001584299445 1092140778 /nfs/dbraw/zinc/14/07/78/1092140778.db2.gz CVZUYYGUPRLHAN-NSHDSACASA-N 0 0 342.355 2.837 10 5 EFBERN C[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H](C)C(C)(C)C ZINC001584365509 1092151033 /nfs/dbraw/zinc/15/10/33/1092151033.db2.gz HCUZBODMLALTOG-KGLIPLIRSA-N 0 0 348.447 2.957 10 5 EFBERN C[C@@H](CC(C)(C)C)NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001584442237 1092176671 /nfs/dbraw/zinc/17/66/71/1092176671.db2.gz ZIWOSFANUAQPIH-NSHDSACASA-N 0 0 331.376 2.730 10 5 EFBERN COCCN(CC(F)F)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001584443604 1092176672 /nfs/dbraw/zinc/17/66/72/1092176672.db2.gz ULKXXEVUPORHCW-UHFFFAOYSA-N 0 0 336.722 2.531 10 5 EFBERN C[C@H](CC(C)(C)C)NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001584442236 1092176674 /nfs/dbraw/zinc/17/66/74/1092176674.db2.gz ZIWOSFANUAQPIH-LLVKDONJSA-N 0 0 331.376 2.730 10 5 EFBERN COC(=O)c1ccc(OC(=O)[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001584479133 1092182171 /nfs/dbraw/zinc/18/21/71/1092182171.db2.gz BESSGLZSTSTEKL-LLVKDONJSA-N 0 0 349.339 2.636 10 5 EFBERN CC1(C)CC(=O)CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001584524300 1092187601 /nfs/dbraw/zinc/18/76/01/1092187601.db2.gz SMYIDUDKUNIVPM-UHFFFAOYSA-N 0 0 339.779 2.662 10 5 EFBERN COc1ccc2c(n1)N(C)CCN2Cc1cccc([N+](=O)[O-])c1C ZINC001648370734 1092207599 /nfs/dbraw/zinc/20/75/99/1092207599.db2.gz XWOOBHCUQUHQQH-UHFFFAOYSA-N 0 0 328.372 2.763 10 5 EFBERN COC(=O)c1cc(C(=O)Nc2cc(C)cc(O)c2)cc([N+](=O)[O-])c1 ZINC001648384154 1092210978 /nfs/dbraw/zinc/21/09/78/1092210978.db2.gz FYGOPMNCNSLSEH-UHFFFAOYSA-N 0 0 330.296 2.648 10 5 EFBERN CCOC(=O)c1coc(N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001584589777 1092211040 /nfs/dbraw/zinc/21/10/40/1092211040.db2.gz BOFDISMOSAUGIH-SNVBAGLBSA-N 0 0 347.327 2.526 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC001648409453 1092213364 /nfs/dbraw/zinc/21/33/64/1092213364.db2.gz JTSFTDCCKISZCX-UHFFFAOYSA-N 0 0 345.315 2.985 10 5 EFBERN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001648526865 1092229439 /nfs/dbraw/zinc/22/94/39/1092229439.db2.gz JZNMXGVVOZQPHR-UHFFFAOYSA-N 0 0 325.328 2.585 10 5 EFBERN Cc1cc(NC(=O)c2nn(C)cc2Cl)c2cc([N+](=O)[O-])ccc2n1 ZINC001584644216 1092232419 /nfs/dbraw/zinc/23/24/19/1092232419.db2.gz GLNQSOQRTMAVMC-UHFFFAOYSA-N 0 0 345.746 2.513 10 5 EFBERN Cc1noc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC001648567832 1092232485 /nfs/dbraw/zinc/23/24/85/1092232485.db2.gz PTKUUQAEZUCDHN-UHFFFAOYSA-N 0 0 327.344 2.913 10 5 EFBERN CN(Cc1ccn(C)n1)Cc1cc([N+](=O)[O-])ccc1Br ZINC001648594511 1092236685 /nfs/dbraw/zinc/23/66/85/1092236685.db2.gz ROLUOAUBEQEAOD-UHFFFAOYSA-N 0 0 339.193 2.723 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2NC1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001648609558 1092237794 /nfs/dbraw/zinc/23/77/94/1092237794.db2.gz WVDZQGXVLMYDOY-CYBMUJFWSA-N 0 0 345.742 2.541 10 5 EFBERN COc1ccc(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1F ZINC001125557751 1092245738 /nfs/dbraw/zinc/24/57/38/1092245738.db2.gz TVSGNWNVGRGOOH-UHFFFAOYSA-N 0 0 345.286 2.698 10 5 EFBERN C[S@](=O)(=NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1F ZINC001648664956 1092249221 /nfs/dbraw/zinc/24/92/21/1092249221.db2.gz XUXMKTWOBQHFBA-HSZRJFAPSA-N 0 0 337.332 2.613 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC(c2ccccc2)C1 ZINC001648692421 1092254034 /nfs/dbraw/zinc/25/40/34/1092254034.db2.gz WMGZYLPIKUYSOL-UHFFFAOYSA-N 0 0 330.315 2.739 10 5 EFBERN O=C(Nc1cccnc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001584783741 1092284474 /nfs/dbraw/zinc/28/44/74/1092284474.db2.gz OAEVERCLZFNFGK-UHFFFAOYSA-N 0 0 327.275 2.567 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001584839589 1092303073 /nfs/dbraw/zinc/30/30/73/1092303073.db2.gz ZXXIRTDQFCZYRS-UHFFFAOYSA-N 0 0 345.330 2.647 10 5 EFBERN Cc1cccc(C(=O)Nc2cccc3c2CN(C)C3=O)c1[N+](=O)[O-] ZINC001584908603 1092322405 /nfs/dbraw/zinc/32/24/05/1092322405.db2.gz CVMVASFBSNAXFV-UHFFFAOYSA-N 0 0 325.324 2.741 10 5 EFBERN Cn1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c(-c2ccco2)n1 ZINC001584946190 1092333992 /nfs/dbraw/zinc/33/39/92/1092333992.db2.gz JILNAEYEYPNCLB-UHFFFAOYSA-N 0 0 345.290 2.562 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Oc1cccc2sccc21 ZINC001584970066 1092341545 /nfs/dbraw/zinc/34/15/45/1092341545.db2.gz ZCFBRLYDRJOVAK-UHFFFAOYSA-N 0 0 330.321 2.577 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC001584973481 1092342495 /nfs/dbraw/zinc/34/24/95/1092342495.db2.gz MCXMXQSGFSYJIN-OAHLLOKOSA-N 0 0 328.324 2.726 10 5 EFBERN COc1c(C)cccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001584979769 1092343988 /nfs/dbraw/zinc/34/39/88/1092343988.db2.gz QXWFKUZVCDVJBT-UHFFFAOYSA-N 0 0 330.340 2.607 10 5 EFBERN O=C(Nc1cnc(F)c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001585214755 1092405312 /nfs/dbraw/zinc/40/53/12/1092405312.db2.gz IIOXEZGOHADRJK-UHFFFAOYSA-N 0 0 335.682 2.911 10 5 EFBERN NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2F)ccc1[N+](=O)[O-] ZINC001585244591 1092420124 /nfs/dbraw/zinc/42/01/24/1092420124.db2.gz ZOFKRQYJJYMSOM-UHFFFAOYSA-N 0 0 337.694 2.739 10 5 EFBERN O=C(N[C@@H]1CCCC2(CC2)C1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001585248941 1092421666 /nfs/dbraw/zinc/42/16/66/1092421666.db2.gz KSORFBCIOPOJDV-CYBMUJFWSA-N 0 0 341.371 2.628 10 5 EFBERN Cc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccc1[N+](=O)[O-] ZINC001585265134 1092427343 /nfs/dbraw/zinc/42/73/43/1092427343.db2.gz PLQRUODETIYXCB-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001649386230 1092445788 /nfs/dbraw/zinc/44/57/88/1092445788.db2.gz APENYLZTKRDCCM-MQYQWHSLSA-N 0 0 340.383 2.802 10 5 EFBERN Cc1cc(C(=O)Nc2nnc([C@H]3CCCO3)s2)ccc1[N+](=O)[O-] ZINC000040884394 1092461045 /nfs/dbraw/zinc/46/10/45/1092461045.db2.gz QYWSXZIWSMBNFE-LLVKDONJSA-N 0 0 334.357 2.859 10 5 EFBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1CC1(C)C ZINC001585399727 1092472895 /nfs/dbraw/zinc/47/28/95/1092472895.db2.gz SWERGUUGJNRBCS-OLZOCXBDSA-N 0 0 334.372 2.921 10 5 EFBERN COC(=O)c1oc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC001585437198 1092486060 /nfs/dbraw/zinc/48/60/60/1092486060.db2.gz FQVWZWQBOIDVIK-LLVKDONJSA-N 0 0 346.339 2.816 10 5 EFBERN COc1ccc(N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC001585495034 1092502828 /nfs/dbraw/zinc/50/28/28/1092502828.db2.gz DJADTGNREAPGHP-UHFFFAOYSA-N 0 0 346.339 2.897 10 5 EFBERN COc1ccc(N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001585502137 1092503659 /nfs/dbraw/zinc/50/36/59/1092503659.db2.gz WYKDJIBRVZABTL-UHFFFAOYSA-N 0 0 330.340 2.954 10 5 EFBERN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C#N)cc1 ZINC001585498940 1092504284 /nfs/dbraw/zinc/50/42/84/1092504284.db2.gz HITJNQGHXWYQSL-UHFFFAOYSA-N 0 0 327.296 2.949 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)n1 ZINC001585588136 1092521498 /nfs/dbraw/zinc/52/14/98/1092521498.db2.gz OLDFVMPEDQQSCW-BXUZGUMPSA-N 0 0 349.387 2.633 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001585596319 1092522811 /nfs/dbraw/zinc/52/28/11/1092522811.db2.gz GQDHOHRIVATILG-HAQNSBGRSA-N 0 0 344.392 2.999 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC001585612947 1092522859 /nfs/dbraw/zinc/52/28/59/1092522859.db2.gz VMMGXEXYWCTLTE-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN C[C@@H](CSCc1ccccc1)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001585617096 1092524567 /nfs/dbraw/zinc/52/45/67/1092524567.db2.gz MYNYZEOGRWXMTN-NSHDSACASA-N 0 0 334.401 2.836 10 5 EFBERN O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC001585628505 1092526456 /nfs/dbraw/zinc/52/64/56/1092526456.db2.gz YFYZRJZXXIGTST-JTQLQIEISA-N 0 0 346.286 2.537 10 5 EFBERN COc1ccccc1CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001585651509 1092536226 /nfs/dbraw/zinc/53/62/26/1092536226.db2.gz KLHWWIOGVZFTPT-UHFFFAOYSA-N 0 0 329.356 2.500 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(C(F)(F)F)nc1 ZINC001585676379 1092542110 /nfs/dbraw/zinc/54/21/10/1092542110.db2.gz BEKBCQYXHCIEFL-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)n1 ZINC001585684124 1092543607 /nfs/dbraw/zinc/54/36/07/1092543607.db2.gz GMJYLJWTBSLLPG-UHFFFAOYSA-N 0 0 344.302 2.574 10 5 EFBERN Cc1c(C(=O)Nc2cnc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC001585682520 1092544447 /nfs/dbraw/zinc/54/44/47/1092544447.db2.gz WKBDDVYPUHEGMM-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN Cn1cc(C(C)(C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nn1 ZINC001585779325 1092570144 /nfs/dbraw/zinc/57/01/44/1092570144.db2.gz YDKVNIXSWGSUKP-UHFFFAOYSA-N 0 0 345.403 2.686 10 5 EFBERN CC1=C(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C(=O)OC1(C)C ZINC001585832819 1092589789 /nfs/dbraw/zinc/58/97/89/1092589789.db2.gz OJVVCVDCSLVSGR-UHFFFAOYSA-N 0 0 341.323 2.733 10 5 EFBERN CCOC1(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC001585837900 1092592660 /nfs/dbraw/zinc/59/26/60/1092592660.db2.gz OZGWPMVMZDWDON-UHFFFAOYSA-N 0 0 345.355 2.667 10 5 EFBERN CCOCCO[C@H](C)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585842093 1092593832 /nfs/dbraw/zinc/59/38/32/1092593832.db2.gz RDORNOYAZTZROC-LLVKDONJSA-N 0 0 333.344 2.523 10 5 EFBERN CSc1ccc(C(=O)Nc2ccc(C)cc2C(N)=O)cc1[N+](=O)[O-] ZINC001585876439 1092606328 /nfs/dbraw/zinc/60/63/28/1092606328.db2.gz LJJJZUXLFFPQTI-UHFFFAOYSA-N 0 0 345.380 2.976 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1 ZINC001585917502 1092620424 /nfs/dbraw/zinc/62/04/24/1092620424.db2.gz GUXWMAWZPXQPAG-UHFFFAOYSA-N 0 0 346.343 2.536 10 5 EFBERN CCOc1cc(NC(=O)c2ccc3c(c2)nnn3C)ccc1[N+](=O)[O-] ZINC001585926279 1092622416 /nfs/dbraw/zinc/62/24/16/1092622416.db2.gz BWQGZNPBMRAIJI-UHFFFAOYSA-N 0 0 341.327 2.528 10 5 EFBERN C[C@H](COc1c(F)cccc1F)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001585953708 1092628806 /nfs/dbraw/zinc/62/88/06/1092628806.db2.gz JLKLRCMAPRARJP-MRVPVSSYSA-N 0 0 326.255 2.663 10 5 EFBERN O=C(N[C@@H](Cc1ccccc1)C1CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001586017869 1092655000 /nfs/dbraw/zinc/65/50/00/1092655000.db2.gz JZZWIWOAYZCZQM-NSHDSACASA-N 0 0 334.763 2.722 10 5 EFBERN COc1c(C(=O)NCCCOc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001586015092 1092655442 /nfs/dbraw/zinc/65/54/42/1092655442.db2.gz GWTYVPDGWSWDKA-UHFFFAOYSA-N 0 0 348.330 2.941 10 5 EFBERN CC(C)c1ccc(C(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001586076204 1092672258 /nfs/dbraw/zinc/67/22/58/1092672258.db2.gz BGOWCIJEEYYRDR-FRRDWIJNSA-N 0 0 347.415 2.798 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCc2c1cccc2O ZINC001586164100 1092700435 /nfs/dbraw/zinc/70/04/35/1092700435.db2.gz FGAPPNOULAJXQS-AWEZNQCLSA-N 0 0 330.315 2.786 10 5 EFBERN Cc1c(CC(=O)N2CCS[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC001586224448 1092711630 /nfs/dbraw/zinc/71/16/30/1092711630.db2.gz ZGQMQCAUUIGWLE-LBPRGKRZSA-N 0 0 334.319 2.910 10 5 EFBERN O=C(Cc1nnc(-c2ccccc2)o1)NCc1cccc([N+](=O)[O-])c1 ZINC001586259237 1092717112 /nfs/dbraw/zinc/71/71/12/1092717112.db2.gz JQMKREBFGJTDNV-UHFFFAOYSA-N 0 0 338.323 2.504 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000588509932 1092723536 /nfs/dbraw/zinc/72/35/36/1092723536.db2.gz CNIGZSLULFQSSY-RJNRQISESA-N 0 0 344.289 2.788 10 5 EFBERN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccon1 ZINC001586330327 1092723622 /nfs/dbraw/zinc/72/36/22/1092723622.db2.gz HFBBDLAVKGSBMS-UHFFFAOYSA-N 0 0 330.325 2.983 10 5 EFBERN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC001586325162 1092724017 /nfs/dbraw/zinc/72/40/17/1092724017.db2.gz XVCDUPOSHXZTBH-UHFFFAOYSA-N 0 0 340.335 2.893 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1ccoc1 ZINC001586387465 1092730066 /nfs/dbraw/zinc/73/00/66/1092730066.db2.gz YTLQGFIJNOVCQP-UHFFFAOYSA-N 0 0 326.711 2.882 10 5 EFBERN COCc1ccnc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC001586398178 1092730923 /nfs/dbraw/zinc/73/09/23/1092730923.db2.gz GGFJEIHCDRVINF-UHFFFAOYSA-N 0 0 337.282 2.867 10 5 EFBERN COCc1ccnc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC001586398212 1092731151 /nfs/dbraw/zinc/73/11/51/1092731151.db2.gz HXXBNDJHARCSKJ-UHFFFAOYSA-N 0 0 333.369 2.867 10 5 EFBERN O=C(c1ccc(O)cn1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001586419917 1092733355 /nfs/dbraw/zinc/73/33/55/1092733355.db2.gz CGOVBCVZWMTVKH-OAHLLOKOSA-N 0 0 331.353 2.583 10 5 EFBERN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001586430726 1092733680 /nfs/dbraw/zinc/73/36/80/1092733680.db2.gz GXVOOKFENGDWQX-UONOGXRCSA-N 0 0 327.340 2.593 10 5 EFBERN CC[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001586456298 1092735273 /nfs/dbraw/zinc/73/52/73/1092735273.db2.gz NTATXHMJVUTRBJ-LBPRGKRZSA-N 0 0 336.298 2.731 10 5 EFBERN CC(=O)N(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001586524120 1092742213 /nfs/dbraw/zinc/74/22/13/1092742213.db2.gz LVLINXLHZNARRJ-UHFFFAOYSA-N 0 0 341.367 2.816 10 5 EFBERN Cc1[nH]c2ccc(CNC(=O)Cn3c(C)ncc3[N+](=O)[O-])cc2c1C ZINC001625875990 1092742668 /nfs/dbraw/zinc/74/26/68/1092742668.db2.gz NJFRDFHBTMAZFS-UHFFFAOYSA-N 0 0 341.371 2.514 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1OC ZINC001586553884 1092743361 /nfs/dbraw/zinc/74/33/61/1092743361.db2.gz FOGZMHMLBSXNJF-UHFFFAOYSA-N 0 0 348.286 2.781 10 5 EFBERN Cc1cc2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc(Cl)n2n1 ZINC001586681197 1092750812 /nfs/dbraw/zinc/75/08/12/1092750812.db2.gz NUSUHLQXAHODRW-UHFFFAOYSA-N 0 0 345.746 2.781 10 5 EFBERN Cc1cc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)cc(Cl)n2n1 ZINC001586680974 1092751185 /nfs/dbraw/zinc/75/11/85/1092751185.db2.gz DFTHDTDTCSGKFX-UHFFFAOYSA-N 0 0 337.748 2.913 10 5 EFBERN COc1ccc(F)c(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001586776274 1092758763 /nfs/dbraw/zinc/75/87/63/1092758763.db2.gz OXZQFOAIADSHEQ-UHFFFAOYSA-N 0 0 349.274 2.581 10 5 EFBERN CCOc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001586794394 1092759619 /nfs/dbraw/zinc/75/96/19/1092759619.db2.gz AYKHPKBBRLJHSU-UHFFFAOYSA-N 0 0 329.356 2.848 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1ccccn1 ZINC001586923549 1092770488 /nfs/dbraw/zinc/77/04/88/1092770488.db2.gz NGWQDZKKSSPDOB-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN CCOC1(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC001586998862 1092775045 /nfs/dbraw/zinc/77/50/45/1092775045.db2.gz FIHAVVBZPYNHRI-UHFFFAOYSA-N 0 0 345.355 2.667 10 5 EFBERN O=C(COCC(F)(F)F)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001586999288 1092775354 /nfs/dbraw/zinc/77/53/54/1092775354.db2.gz NYASQPHMZPXPJK-UHFFFAOYSA-N 0 0 329.234 2.660 10 5 EFBERN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001586999605 1092775408 /nfs/dbraw/zinc/77/54/08/1092775408.db2.gz UOFYENFCXKTCLP-NWDGAFQWSA-N 0 0 343.339 2.671 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nn(C)c2ccccc12 ZINC001587061699 1092779588 /nfs/dbraw/zinc/77/95/88/1092779588.db2.gz HEWLPIZMSMHNGE-UHFFFAOYSA-N 0 0 338.367 2.796 10 5 EFBERN Nc1c(C(=O)Nc2cnc3nccn3c2)cc2ccccc2c1[N+](=O)[O-] ZINC001587088252 1092781959 /nfs/dbraw/zinc/78/19/59/1092781959.db2.gz BEFWFKKVAJSNPP-UHFFFAOYSA-N 0 0 348.322 2.625 10 5 EFBERN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1Cc2cc(F)ccc2O1 ZINC001587144908 1092786206 /nfs/dbraw/zinc/78/62/06/1092786206.db2.gz YHNMECLHBIZFCQ-AWEZNQCLSA-N 0 0 348.242 2.551 10 5 EFBERN COC(=O)c1cccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001587190300 1092789508 /nfs/dbraw/zinc/78/95/08/1092789508.db2.gz OANPYAIUBXWCIU-UHFFFAOYSA-N 0 0 332.287 2.702 10 5 EFBERN Cc1cnn(C)c1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001587170637 1092790287 /nfs/dbraw/zinc/79/02/87/1092790287.db2.gz FEORNAKUAAWDCU-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN CNc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)nc1 ZINC001587260225 1092796254 /nfs/dbraw/zinc/79/62/54/1092796254.db2.gz UDQSRIUMKCDFSD-UHFFFAOYSA-N 0 0 328.372 2.784 10 5 EFBERN CCc1n[nH]c(C(=O)N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1[N+](=O)[O-] ZINC001587277440 1092796607 /nfs/dbraw/zinc/79/66/07/1092796607.db2.gz RJBJCDQPKVRPOR-MCIONIFRSA-N 0 0 340.383 2.756 10 5 EFBERN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001587270589 1092797668 /nfs/dbraw/zinc/79/76/68/1092797668.db2.gz BDFBDTJESKVTJN-GJZGRUSLSA-N 0 0 349.343 2.581 10 5 EFBERN CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(F)c1 ZINC001587287904 1092798325 /nfs/dbraw/zinc/79/83/25/1092798325.db2.gz VDPSOBBFRFYJMU-UHFFFAOYSA-N 0 0 349.293 2.827 10 5 EFBERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001587328082 1092801424 /nfs/dbraw/zinc/80/14/24/1092801424.db2.gz BEZCUTDWGDDKQN-QGZVFWFLSA-N 0 0 343.383 2.681 10 5 EFBERN Cc1cccc(-c2cncc(C(=O)Nc3c([N+](=O)[O-])ncn3C)c2)c1 ZINC001587348017 1092805130 /nfs/dbraw/zinc/80/51/30/1092805130.db2.gz HPUWKSCNONEIPU-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN O=C(Oc1cnn(-c2ccccc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001587405257 1092810988 /nfs/dbraw/zinc/81/09/88/1092810988.db2.gz MLEWCGDJLQEGDE-UHFFFAOYSA-N 0 0 349.306 2.876 10 5 EFBERN COCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC001587468464 1092814059 /nfs/dbraw/zinc/81/40/59/1092814059.db2.gz KSXAJRNZPVEASA-UHFFFAOYSA-N 0 0 330.340 2.897 10 5 EFBERN CCS[C@@H]1CCC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001587544961 1092821238 /nfs/dbraw/zinc/82/12/38/1092821238.db2.gz XUTQFHLSBUYTNC-JGVFFNPUSA-N 0 0 332.813 2.765 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1CCN(C)C2=O ZINC001587560701 1092823301 /nfs/dbraw/zinc/82/33/01/1092823301.db2.gz ZDBSYQMJEFCQRG-UHFFFAOYSA-N 0 0 339.351 2.784 10 5 EFBERN COc1ccnc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1F ZINC001587601703 1092827378 /nfs/dbraw/zinc/82/73/78/1092827378.db2.gz FVTSHLHISGWYFY-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN CC[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1noc(C)n1 ZINC001587661031 1092838652 /nfs/dbraw/zinc/83/86/52/1092838652.db2.gz AZOAZHWZYMKOQY-LLVKDONJSA-N 0 0 338.751 2.750 10 5 EFBERN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2N)cc1[N+](=O)[O-] ZINC001587682985 1092841149 /nfs/dbraw/zinc/84/11/49/1092841149.db2.gz XFFHJCKTGMCMOI-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)nn1 ZINC001587725154 1092845169 /nfs/dbraw/zinc/84/51/69/1092845169.db2.gz KWGZVTFRBSKTGP-SSDOTTSWSA-N 0 0 340.698 2.583 10 5 EFBERN COC(=O)c1oc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC001587729609 1092845310 /nfs/dbraw/zinc/84/53/10/1092845310.db2.gz MRVANZORHUVXPI-UHFFFAOYSA-N 0 0 332.312 2.521 10 5 EFBERN Cc1nc(Sc2nnc(-c3ccccc3)n2C)ncc1[N+](=O)[O-] ZINC001649988531 1092854878 /nfs/dbraw/zinc/85/48/78/1092854878.db2.gz HAFCVRGRIQTEQO-UHFFFAOYSA-N 0 0 328.357 2.640 10 5 EFBERN CCC(C)(C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001587853082 1092860113 /nfs/dbraw/zinc/86/01/13/1092860113.db2.gz RUNKMTOIQDHUOU-UHFFFAOYSA-N 0 0 331.376 2.732 10 5 EFBERN Cc1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc(C(N)=O)c1 ZINC001587855152 1092861110 /nfs/dbraw/zinc/86/11/10/1092861110.db2.gz UINXPWRWRPTPKD-UHFFFAOYSA-N 0 0 331.303 2.702 10 5 EFBERN CN(C)c1ccc([S@@](C)(=O)=NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001587913105 1092869123 /nfs/dbraw/zinc/86/91/23/1092869123.db2.gz HXOZEBTWBDLJQJ-XMMPIXPASA-N 0 0 347.396 2.958 10 5 EFBERN Cc1ccccc1N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001587931325 1092870451 /nfs/dbraw/zinc/87/04/51/1092870451.db2.gz VJPHSQGUYOJDEG-UHFFFAOYSA-N 0 0 341.367 2.686 10 5 EFBERN CC(=O)c1nc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])sc1C ZINC001587935301 1092870500 /nfs/dbraw/zinc/87/05/00/1092870500.db2.gz DVBGDKQQSJHUJO-UHFFFAOYSA-N 0 0 348.384 2.637 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)c2nc3ccccc3o2)n1 ZINC001587944897 1092871510 /nfs/dbraw/zinc/87/15/10/1092871510.db2.gz WGDYNSZRBQVZCF-JTQLQIEISA-N 0 0 340.339 2.973 10 5 EFBERN O=C(CCNC(=O)c1c(F)cccc1[N+](=O)[O-])OCc1ccccc1 ZINC001588004570 1092883519 /nfs/dbraw/zinc/88/35/19/1092883519.db2.gz QQGOCGDTUBXAFN-UHFFFAOYSA-N 0 0 346.314 2.597 10 5 EFBERN Cc1ccc(COC(=O)COc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001588035010 1092886466 /nfs/dbraw/zinc/88/64/66/1092886466.db2.gz LGFKYAZVACPRNL-UHFFFAOYSA-N 0 0 346.295 2.934 10 5 EFBERN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC001588061111 1092887311 /nfs/dbraw/zinc/88/73/11/1092887311.db2.gz GLTNITBWPCDZAT-CQSZACIVSA-N 0 0 326.356 2.722 10 5 EFBERN CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC001588061110 1092887354 /nfs/dbraw/zinc/88/73/54/1092887354.db2.gz GLTNITBWPCDZAT-AWEZNQCLSA-N 0 0 326.356 2.722 10 5 EFBERN CC[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001588073130 1092888508 /nfs/dbraw/zinc/88/85/08/1092888508.db2.gz RDIQFFYTKVXMJD-LBPRGKRZSA-N 0 0 329.356 2.780 10 5 EFBERN CC[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001588073129 1092888655 /nfs/dbraw/zinc/88/86/55/1092888655.db2.gz RDIQFFYTKVXMJD-GFCCVEGCSA-N 0 0 329.356 2.780 10 5 EFBERN O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)c1ccc([N+](=O)[O-])cn1 ZINC001588159899 1092899296 /nfs/dbraw/zinc/89/92/96/1092899296.db2.gz FCEUIKGYWRSBFL-UHFFFAOYSA-N 0 0 339.311 2.632 10 5 EFBERN Cc1[nH]c(C=O)cc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001588186650 1092901148 /nfs/dbraw/zinc/90/11/48/1092901148.db2.gz CZTPHMHMVYPNSN-UHFFFAOYSA-N 0 0 335.747 2.969 10 5 EFBERN Cc1ccc(N(C)C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)cc1 ZINC001125628351 1093128651 /nfs/dbraw/zinc/12/86/51/1093128651.db2.gz JOQILMFLWBOPDQ-UHFFFAOYSA-N 0 0 337.339 2.761 10 5 EFBERN Cc1cc(C(=O)NCCN(C)Cc2csc([N+](=O)[O-])c2)oc1C ZINC001267192841 1093147324 /nfs/dbraw/zinc/14/73/24/1093147324.db2.gz UIGVQSUROLYYNR-UHFFFAOYSA-N 0 0 337.401 2.728 10 5 EFBERN COc1ccc(C[C@H]2CC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001167635571 1093168974 /nfs/dbraw/zinc/16/89/74/1093168974.db2.gz NDLLNUSIZKKDHB-APWZRJJASA-N 0 0 342.395 2.954 10 5 EFBERN CN(CCNC(=O)C1(C(F)F)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001267213341 1093216589 /nfs/dbraw/zinc/21/65/89/1093216589.db2.gz IMKDXSJYVAGBLN-UHFFFAOYSA-N 0 0 347.387 2.640 10 5 EFBERN CN(CCNC(=O)CCCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001267218698 1093232675 /nfs/dbraw/zinc/23/26/75/1093232675.db2.gz AZIKQKMUOPWDCS-UHFFFAOYSA-N 0 0 347.337 2.875 10 5 EFBERN CCN(CCNC(=O)CC(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001267251788 1093372255 /nfs/dbraw/zinc/37/22/55/1093372255.db2.gz QLWKRIWDJKZKHJ-UHFFFAOYSA-N 0 0 329.347 2.578 10 5 EFBERN NC(=O)c1cc(NCc2cc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC001650607283 1093466724 /nfs/dbraw/zinc/46/67/24/1093466724.db2.gz QAUVPLXSGDMWMI-UHFFFAOYSA-N 0 0 338.323 2.961 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCCOc2cccc3cccnc32)n1 ZINC001650728839 1093488315 /nfs/dbraw/zinc/48/83/15/1093488315.db2.gz RXILUYPDSIRXTB-UHFFFAOYSA-N 0 0 327.344 2.758 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H](Cc2cccnc2)C2CCCC2)c1[N+](=O)[O-] ZINC001650779724 1093494117 /nfs/dbraw/zinc/49/41/17/1093494117.db2.gz ZTAVLWNYDWZZGC-CQSZACIVSA-N 0 0 343.387 2.553 10 5 EFBERN Cc1cccn2cc(CCNc3c(Cl)cncc3[N+](=O)[O-])nc12 ZINC001650813382 1093496530 /nfs/dbraw/zinc/49/65/30/1093496530.db2.gz CNFNVPFHIRUHGM-UHFFFAOYSA-N 0 0 331.763 2.676 10 5 EFBERN COC(=O)c1cnc(NCCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001650808469 1093496631 /nfs/dbraw/zinc/49/66/31/1093496631.db2.gz DBPKQCUCYTWVPR-UHFFFAOYSA-N 0 0 330.344 2.606 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2cc3cnccc3o2)c1[N+](=O)[O-] ZINC001650822133 1093496656 /nfs/dbraw/zinc/49/66/56/1093496656.db2.gz DVWBXRBYMGZDNY-QMMMGPOBSA-N 0 0 329.316 2.513 10 5 EFBERN COc1cccc(C(=O)CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001650855675 1093500341 /nfs/dbraw/zinc/50/03/41/1093500341.db2.gz LPFCWCRVURZBLF-JXMROGBWSA-N 0 0 340.335 2.616 10 5 EFBERN O=C1OCCN1c1ccc(CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC001650901146 1093506214 /nfs/dbraw/zinc/50/62/14/1093506214.db2.gz CSOAJMDYHALQMK-UHFFFAOYSA-N 0 0 332.291 2.698 10 5 EFBERN Nc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)cc1[N+](=O)[O-] ZINC001650922823 1093509896 /nfs/dbraw/zinc/50/98/96/1093509896.db2.gz GUVCMNWZBQKGFU-CZUORRHYSA-N 0 0 329.331 2.932 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCOCC(F)F ZINC001650973408 1093516381 /nfs/dbraw/zinc/51/63/81/1093516381.db2.gz TXFLCCOOIVZTKW-UHFFFAOYSA-N 0 0 331.706 2.912 10 5 EFBERN NC(=O)c1cc(N2CC(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC001651072935 1093524100 /nfs/dbraw/zinc/52/41/00/1093524100.db2.gz XKZIANLWHXKDQG-UHFFFAOYSA-N 0 0 331.759 2.951 10 5 EFBERN CNC(=O)Oc1cccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC001651090577 1093525854 /nfs/dbraw/zinc/52/58/54/1093525854.db2.gz XQFROAZHMKIIKB-UHFFFAOYSA-N 0 0 335.291 2.688 10 5 EFBERN NC(=O)c1cc(N[C@@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001651111993 1093528112 /nfs/dbraw/zinc/52/81/12/1093528112.db2.gz YDVVDPUROMKHSP-AWEZNQCLSA-N 0 0 349.774 2.883 10 5 EFBERN O=C(c1ccccc1)c1ccc(NC[C@H]2COCO2)c([N+](=O)[O-])c1 ZINC001651131531 1093529896 /nfs/dbraw/zinc/52/98/96/1093529896.db2.gz RQYKZVDAJJDNJT-AWEZNQCLSA-N 0 0 328.324 2.611 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1NCc1nc(C(F)F)no1)CCCC2 ZINC001651163550 1093534111 /nfs/dbraw/zinc/53/41/11/1093534111.db2.gz KKPFLGMQUSEAPB-UHFFFAOYSA-N 0 0 325.275 2.801 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC[C@@H]4OCC[C@@H]4C3)c2c1 ZINC001651184427 1093537041 /nfs/dbraw/zinc/53/70/41/1093537041.db2.gz HGKFIGLJZIGGDI-BMIGLBTASA-N 0 0 344.327 2.666 10 5 EFBERN COc1nscc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001651233520 1093543716 /nfs/dbraw/zinc/54/37/16/1093543716.db2.gz SVSZHMFNDACHNJ-UHFFFAOYSA-N 0 0 345.283 2.914 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(NC(C)(C)c2ncc[nH]2)c2ccccc21 ZINC001651240621 1093544084 /nfs/dbraw/zinc/54/40/84/1093544084.db2.gz MLDOJULXIQZCMQ-UHFFFAOYSA-N 0 0 327.344 2.517 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000843617460 1093572831 /nfs/dbraw/zinc/57/28/31/1093572831.db2.gz DWNPJBHQKQMPIU-SKDRFNHKSA-N 0 0 342.779 2.956 10 5 EFBERN O=C(CC(F)(F)F)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001267323184 1093575105 /nfs/dbraw/zinc/57/51/05/1093575105.db2.gz UJYROVYDZSXKIX-UHFFFAOYSA-N 0 0 345.321 2.628 10 5 EFBERN O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1=CCCC1 ZINC001267323758 1093576310 /nfs/dbraw/zinc/57/63/10/1093576310.db2.gz RUWVQZSJUSSYMF-UHFFFAOYSA-N 0 0 329.400 2.786 10 5 EFBERN C[C@@H]1C[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)[C@@H](C)O1 ZINC001593694321 1094408966 /nfs/dbraw/zinc/40/89/66/1094408966.db2.gz QNEWFVCSJQMHCJ-BREBYQMCSA-N 0 0 330.344 2.737 10 5 EFBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC(c2cnc3ccccc3n2)C1 ZINC001593890178 1094413640 /nfs/dbraw/zinc/41/36/40/1094413640.db2.gz WRGLVRPUVVIWFT-UHFFFAOYSA-N 0 0 348.362 2.707 10 5 EFBERN CC[C@@H](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(=O)OC ZINC000843620438 1094425226 /nfs/dbraw/zinc/42/52/26/1094425226.db2.gz VAEPGRNWTCKQGQ-NOZJJQNGSA-N 0 0 340.351 2.750 10 5 EFBERN CC[C@@H](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C(=O)OC ZINC000843620440 1094426591 /nfs/dbraw/zinc/42/65/91/1094426591.db2.gz VAEPGRNWTCKQGQ-RNCFNFMXSA-N 0 0 340.351 2.750 10 5 EFBERN Nc1nccc(C(=O)NCc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC001595104137 1094454054 /nfs/dbraw/zinc/45/40/54/1094454054.db2.gz QZHBWCCUWRWTSN-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN Cc1[nH]nc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1-c1cccnc1 ZINC001595330885 1094462217 /nfs/dbraw/zinc/46/22/17/1094462217.db2.gz KSAYFSIKXMUTNN-UHFFFAOYSA-N 0 0 338.327 2.523 10 5 EFBERN CCc1nccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001595414653 1094467050 /nfs/dbraw/zinc/46/70/50/1094467050.db2.gz BKIBLTOXMHCNBR-UHFFFAOYSA-N 0 0 334.401 2.506 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC001595417687 1094467085 /nfs/dbraw/zinc/46/70/85/1094467085.db2.gz FBKVVQRWGTWKNR-MRXNPFEDSA-N 0 0 332.331 2.814 10 5 EFBERN COC(=O)/C=C\c1ccc(NCCCOC(F)F)c([N+](=O)[O-])c1 ZINC000588619777 1094469203 /nfs/dbraw/zinc/46/92/03/1094469203.db2.gz YMQUBJWWTUFEER-XQRVVYSFSA-N 0 0 330.287 2.822 10 5 EFBERN COc1cccc(OCC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001595508449 1094473721 /nfs/dbraw/zinc/47/37/21/1094473721.db2.gz IGQPWIJXYOCKLS-UHFFFAOYSA-N 0 0 330.340 2.607 10 5 EFBERN Cc1ccc(CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1[N+](=O)[O-] ZINC001595508072 1094473885 /nfs/dbraw/zinc/47/38/85/1094473885.db2.gz DWCKOGWMPSFWNB-KRWDZBQOSA-N 0 0 339.351 2.713 10 5 EFBERN O=C(Nc1ccc(OCCO)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001595571334 1094478072 /nfs/dbraw/zinc/47/80/72/1094478072.db2.gz DHPWFPXESKBGHX-UHFFFAOYSA-N 0 0 336.731 2.872 10 5 EFBERN CSc1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001595564511 1094478404 /nfs/dbraw/zinc/47/84/04/1094478404.db2.gz YPRDGCYHNDAIPL-UHFFFAOYSA-N 0 0 332.385 2.554 10 5 EFBERN CC(Cl)(Cl)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001595677359 1094483900 /nfs/dbraw/zinc/48/39/00/1094483900.db2.gz UQBRHOQXRYAXDK-UHFFFAOYSA-N 0 0 345.186 2.714 10 5 EFBERN C[C@H]1C(=O)CCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000932849367 1094484850 /nfs/dbraw/zinc/48/48/50/1094484850.db2.gz OWCNRDLPIULITP-VIFPVBQESA-N 0 0 327.178 2.911 10 5 EFBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nnc([C@@H]2CCCO2)s1 ZINC001595811668 1094495348 /nfs/dbraw/zinc/49/53/48/1094495348.db2.gz YGJBFCSLRVRRKM-JECSTDCCSA-N 0 0 346.368 2.950 10 5 EFBERN Cc1cc(N(C)C)ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001595861984 1094499889 /nfs/dbraw/zinc/49/98/89/1094499889.db2.gz XFLFKQQKRRSUGW-INIZCTEOSA-N 0 0 329.356 2.641 10 5 EFBERN CC[C@H](C)Oc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])n1 ZINC001595887104 1094502090 /nfs/dbraw/zinc/50/20/90/1094502090.db2.gz LFQWPFIKWYIHAE-JTQLQIEISA-N 0 0 333.348 2.636 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])NCc1noc2cc(F)ccc12 ZINC001596139165 1094515050 /nfs/dbraw/zinc/51/50/50/1094515050.db2.gz LTHUJAVIKSXRHH-UHFFFAOYSA-N 0 0 345.286 2.570 10 5 EFBERN C[C@@H](CC(=O)c1ccco1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001596152898 1094516773 /nfs/dbraw/zinc/51/67/73/1094516773.db2.gz LMOQGJWVFCASKE-JTQLQIEISA-N 0 0 334.303 2.647 10 5 EFBERN CCC(=O)c1ccc(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)cc1 ZINC001596200599 1094519142 /nfs/dbraw/zinc/51/91/42/1094519142.db2.gz ISZQEMQMEFZJEQ-UHFFFAOYSA-N 0 0 329.312 2.843 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(NC(C)=O)ccc1C ZINC001596211122 1094519716 /nfs/dbraw/zinc/51/97/16/1094519716.db2.gz YKHZPGYRRGHKEW-UHFFFAOYSA-N 0 0 344.327 2.518 10 5 EFBERN C[C@@H](OC(=O)Cn1ncc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC001596229526 1094520903 /nfs/dbraw/zinc/52/09/03/1094520903.db2.gz WPAUCKPXUFKHNG-LLVKDONJSA-N 0 0 326.312 2.644 10 5 EFBERN CCOC(=O)c1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001596244785 1094521836 /nfs/dbraw/zinc/52/18/36/1094521836.db2.gz USUNDMZXFVJBME-UHFFFAOYSA-N 0 0 349.368 2.718 10 5 EFBERN O=C(Cc1ccc(-n2ccnc2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC001596291165 1094524471 /nfs/dbraw/zinc/52/44/71/1094524471.db2.gz QWYZTZGMFBINDE-UHFFFAOYSA-N 0 0 336.351 2.639 10 5 EFBERN O=C(NC1(c2ncccn2)CCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001596453894 1094531902 /nfs/dbraw/zinc/53/19/02/1094531902.db2.gz JIAOYLLRVHIQGH-UHFFFAOYSA-N 0 0 338.323 2.940 10 5 EFBERN Cc1scc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C ZINC001596439462 1094532684 /nfs/dbraw/zinc/53/26/84/1094532684.db2.gz HFNXCRZQOMZZAY-UHFFFAOYSA-N 0 0 334.353 2.932 10 5 EFBERN O=C(OCc1nncs1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001596964342 1094555480 /nfs/dbraw/zinc/55/54/80/1094555480.db2.gz HIWOUFPBAWXNSC-UHFFFAOYSA-N 0 0 333.247 2.822 10 5 EFBERN Cc1nc(C)c(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[nH]1 ZINC001596959501 1094555877 /nfs/dbraw/zinc/55/58/77/1094555877.db2.gz BVLFDUJOOZKXFJ-UHFFFAOYSA-N 0 0 332.360 2.652 10 5 EFBERN O=C(Cc1ccnc(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001596973514 1094557524 /nfs/dbraw/zinc/55/75/24/1094557524.db2.gz HHCKKWANZFJEJO-UHFFFAOYSA-N 0 0 329.331 2.863 10 5 EFBERN CCS(=O)(CC)=NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001596997037 1094558738 /nfs/dbraw/zinc/55/87/38/1094558738.db2.gz FTSNBWKUXCIKPX-UHFFFAOYSA-N 0 0 337.760 2.618 10 5 EFBERN C[S@](=O)(=NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001597001701 1094558750 /nfs/dbraw/zinc/55/87/50/1094558750.db2.gz DFSKWXKDUIZFOA-HSZRJFAPSA-N 0 0 337.332 2.613 10 5 EFBERN CC(C)(C)[S@](C)(=O)=NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001597010877 1094560215 /nfs/dbraw/zinc/56/02/15/1094560215.db2.gz OHITXZLTUAMLQK-QHCPKHFHSA-N 0 0 340.401 2.981 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2cc(Cl)ccc2[nH]1 ZINC001597140233 1094567157 /nfs/dbraw/zinc/56/71/57/1094567157.db2.gz GUDGIHPWTWKDPU-UHFFFAOYSA-N 0 0 348.750 2.658 10 5 EFBERN C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001597244486 1094572613 /nfs/dbraw/zinc/57/26/13/1094572613.db2.gz BSIVHQNWYJDZFL-JTQLQIEISA-N 0 0 333.319 2.513 10 5 EFBERN CN1Cc2c(cccc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1=O ZINC001597248937 1094574095 /nfs/dbraw/zinc/57/40/95/1094574095.db2.gz PFEMHBJRHBJVMY-YFHOEESVSA-N 0 0 337.335 2.832 10 5 EFBERN COc1ccc(NC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)cc1[N+](=O)[O-] ZINC001597260413 1094576086 /nfs/dbraw/zinc/57/60/86/1094576086.db2.gz JZCMYPMSCVMMQP-SKDRFNHKSA-N 0 0 330.344 2.631 10 5 EFBERN COc1ccc(NC(=O)[C@@H](O)[C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC001597260610 1094576347 /nfs/dbraw/zinc/57/63/47/1094576347.db2.gz RQMYOUAQUGBKKK-QFYYESIMSA-N 0 0 348.330 2.846 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccnc2c1ncn2C ZINC001597301983 1094578961 /nfs/dbraw/zinc/57/89/61/1094578961.db2.gz YAVHBYKHWORDQL-UHFFFAOYSA-N 0 0 340.339 2.850 10 5 EFBERN C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ncon1 ZINC001597318848 1094580092 /nfs/dbraw/zinc/58/00/92/1094580092.db2.gz LCKVQMCIQUTMBR-LURJTMIESA-N 0 0 345.142 2.818 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[C@H](C)O2 ZINC001597352341 1094582406 /nfs/dbraw/zinc/58/24/06/1094582406.db2.gz DGQBZZRBXXEIDB-NSHDSACASA-N 0 0 342.351 2.857 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2nc(-c3ccccc3)c[nH]2)n1 ZINC001597351041 1094582645 /nfs/dbraw/zinc/58/26/45/1094582645.db2.gz HWHPBNKKJLDTIJ-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN Cc1nnc(CN(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001167680180 1094587584 /nfs/dbraw/zinc/58/75/84/1094587584.db2.gz MNGXWJZBSHFAGY-UHFFFAOYSA-N 0 0 340.792 2.609 10 5 EFBERN COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001597447073 1094588159 /nfs/dbraw/zinc/58/81/59/1094588159.db2.gz GXIIAYVCVXMNPN-KGLIPLIRSA-N 0 0 341.323 2.519 10 5 EFBERN O=C(Nc1ccc2c(c1)SCC(=O)N2)c1csc([N+](=O)[O-])c1 ZINC001597550018 1094598133 /nfs/dbraw/zinc/59/81/33/1094598133.db2.gz HWLOCBJOOYVWKG-UHFFFAOYSA-N 0 0 335.366 2.953 10 5 EFBERN Cn1nc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1C1CC1 ZINC001597628440 1094606480 /nfs/dbraw/zinc/60/64/80/1094606480.db2.gz XHTFRLZWTHWOLE-UHFFFAOYSA-N 0 0 339.355 2.617 10 5 EFBERN C[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC001597620458 1094606731 /nfs/dbraw/zinc/60/67/31/1094606731.db2.gz ZCSBCKMFQWGEJM-LLVKDONJSA-N 0 0 347.396 2.654 10 5 EFBERN COc1cc(C(=O)N[C@H](CCO)C2CCCC2)cc([N+](=O)[O-])c1C ZINC001597715198 1094617108 /nfs/dbraw/zinc/61/71/08/1094617108.db2.gz PAZNNLYTLUWSBZ-CQSZACIVSA-N 0 0 336.388 2.583 10 5 EFBERN O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC001597727272 1094617755 /nfs/dbraw/zinc/61/77/55/1094617755.db2.gz RVKCJOVNBAMSBB-UKRRQHHQSA-N 0 0 334.278 2.936 10 5 EFBERN CSc1cccc(C(=O)Nc2cnc3n[nH]cc3c2)c1[N+](=O)[O-] ZINC001597771405 1094621423 /nfs/dbraw/zinc/62/14/23/1094621423.db2.gz XTQJAOCBFZJFEN-UHFFFAOYSA-N 0 0 329.341 2.840 10 5 EFBERN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1F ZINC001267463035 1094623374 /nfs/dbraw/zinc/62/33/74/1094623374.db2.gz BGGVRDNVMMQFMM-SECBINFHSA-N 0 0 340.742 2.851 10 5 EFBERN COc1ccc(F)cc1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001597798525 1094625310 /nfs/dbraw/zinc/62/53/10/1094625310.db2.gz AXBUFRUYCRCJAS-UHFFFAOYSA-N 0 0 332.331 2.644 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1NC(=O)CO2 ZINC001597883696 1094635189 /nfs/dbraw/zinc/63/51/89/1094635189.db2.gz UBYKGUNBOMRLHZ-UHFFFAOYSA-N 0 0 341.323 2.795 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cnc(CC2CC2)s1 ZINC001597919007 1094639995 /nfs/dbraw/zinc/63/99/95/1094639995.db2.gz FOMQBEMCLLEAOP-UHFFFAOYSA-N 0 0 334.357 2.660 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001597919850 1094640228 /nfs/dbraw/zinc/64/02/28/1094640228.db2.gz QEZXOWLKORVBBN-WCQYABFASA-N 0 0 337.376 2.778 10 5 EFBERN Cc1cc(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]n1 ZINC001598255840 1094665702 /nfs/dbraw/zinc/66/57/02/1094665702.db2.gz DCHIPUILMYUJAG-UHFFFAOYSA-N 0 0 328.372 2.750 10 5 EFBERN C[S@](=O)(=NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001598324029 1094669450 /nfs/dbraw/zinc/66/94/50/1094669450.db2.gz SQLRGZHVMODAPO-HSZRJFAPSA-N 0 0 336.344 2.960 10 5 EFBERN Cc1ccc(C(=O)Nc2cnc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC001598383190 1094675045 /nfs/dbraw/zinc/67/50/45/1094675045.db2.gz BSTMCCUUOQHCGW-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)COC(=O)N1 ZINC001598418656 1094677325 /nfs/dbraw/zinc/67/73/25/1094677325.db2.gz ULEXKDUSWBHWJR-QGZVFWFLSA-N 0 0 341.323 2.802 10 5 EFBERN CC(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C1CC1 ZINC001598601941 1094683865 /nfs/dbraw/zinc/68/38/65/1094683865.db2.gz KUKZSJCASXEJCZ-UHFFFAOYSA-N 0 0 345.407 2.683 10 5 EFBERN CC1(C(=O)OCCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)COC1 ZINC000782589205 1094710542 /nfs/dbraw/zinc/71/05/42/1094710542.db2.gz QLFLWTOFLAMPFA-UHFFFAOYSA-N 0 0 349.261 2.572 10 5 EFBERN O=C(CCc1cncs1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001125791419 1094735359 /nfs/dbraw/zinc/73/53/59/1094735359.db2.gz MRXGSJGTARTSOD-UHFFFAOYSA-N 0 0 343.368 2.808 10 5 EFBERN Cc1occc1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001126247382 1094931375 /nfs/dbraw/zinc/93/13/75/1094931375.db2.gz OAOFNHQYLNKVPW-UHFFFAOYSA-N 0 0 344.302 2.751 10 5 EFBERN COc1cccc([C@@H](OC)C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC001126250482 1094946735 /nfs/dbraw/zinc/94/67/35/1094946735.db2.gz UBQTWLZRUXDUEW-MRXNPFEDSA-N 0 0 330.340 2.607 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC001625910208 1095017933 /nfs/dbraw/zinc/01/79/33/1095017933.db2.gz JHIJMXVJWDQYPE-BBRMVZONSA-N 0 0 346.314 2.805 10 5 EFBERN O=C(C=C1CCC1)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481164458 1095076293 /nfs/dbraw/zinc/07/62/93/1095076293.db2.gz HZSDZRJTRBOJHJ-UHFFFAOYSA-N 0 0 329.400 2.786 10 5 EFBERN COC(=O)c1cc(NC(=O)/C(C)=C/c2cccnc2)cc([N+](=O)[O-])c1 ZINC001126300049 1095265500 /nfs/dbraw/zinc/26/55/00/1095265500.db2.gz JIAHDMWUSGWUCC-IZZDOVSWSA-N 0 0 341.323 2.818 10 5 EFBERN CC(C)(C)/C=C\C(=O)NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001267679366 1095430923 /nfs/dbraw/zinc/43/09/23/1095430923.db2.gz OZJDIROXABLKMK-HJWRWDBZSA-N 0 0 331.416 2.745 10 5 EFBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(O)c(F)cc1F ZINC001625892967 1095630565 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EFBERN Cc1ccc(NC(=O)Cc2[nH]nc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001603045132 1096423389 /nfs/dbraw/zinc/42/33/89/1096423389.db2.gz JUANGTMHSAKBBT-UHFFFAOYSA-N 0 0 325.328 2.543 10 5 EFBERN Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2N)c(C)c1 ZINC001603608909 1096565662 /nfs/dbraw/zinc/56/56/62/1096565662.db2.gz YRAMYXJQWAIZFK-UHFFFAOYSA-N 0 0 329.356 2.603 10 5 EFBERN CSc1cccc(C(=O)N(C)C[C@@H](O)c2cccnc2)c1[N+](=O)[O-] ZINC001603620988 1096568632 /nfs/dbraw/zinc/56/86/32/1096568632.db2.gz HUNVGPQHHCJWMF-CYBMUJFWSA-N 0 0 347.396 2.517 10 5 EFBERN Cc1n[nH]c(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001648947014 1096596572 /nfs/dbraw/zinc/59/65/72/1096596572.db2.gz WJYODOKYUCPPNY-DTWKUNHWSA-N 0 0 332.282 2.501 10 5 EFBERN O=C(c1c2c(ccc1F)OCO2)N1CCc2c1cccc2[N+](=O)[O-] ZINC001126358942 1096837515 /nfs/dbraw/zinc/83/75/15/1096837515.db2.gz NVVDUBKXEMMSNS-UHFFFAOYSA-N 0 0 330.271 2.666 10 5 EFBERN CC(C)(C(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1)C(C)(F)F ZINC001268478141 1096886749 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EFBERN COc1ccccc1[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000028063305 1097952674 /nfs/dbraw/zinc/95/26/74/1097952674.db2.gz MPWDWFSPCUMCOM-SNVBAGLBSA-N 0 0 340.339 2.971 10 5 EFBERN Cc1c(CNC(=O)c2ncnc3sccc32)cccc1[N+](=O)[O-] ZINC001269216909 1097953343 /nfs/dbraw/zinc/95/33/43/1097953343.db2.gz ZZSUAWCQIXLPMV-UHFFFAOYSA-N 0 0 328.353 2.838 10 5 EFBERN CC(=O)c1cncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001270115590 1098712014 /nfs/dbraw/zinc/71/20/14/1098712014.db2.gz FIXFZFXTHAWNDW-UHFFFAOYSA-N 0 0 327.340 2.507 10 5 EFBERN O=Cc1cc(F)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC001610926583 1098963078 /nfs/dbraw/zinc/96/30/78/1098963078.db2.gz JPIJTEUPZNRYCX-UHFFFAOYSA-N 0 0 346.249 2.814 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCc2cccc3cccc1c32 ZINC001610946665 1098964862 /nfs/dbraw/zinc/96/48/62/1098964862.db2.gz WHKKJVGNEBWSEV-OAHLLOKOSA-N 0 0 336.351 2.748 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC001610939780 1098965335 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ZINC001611774004 1099032752 /nfs/dbraw/zinc/03/27/52/1099032752.db2.gz NWJZSSHIPGCNQH-UHFFFAOYSA-N 0 0 344.327 2.787 10 5 EFBERN C[C@H](Nc1nc(Cl)nc2[nH]c(=O)[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC001611826028 1099033939 /nfs/dbraw/zinc/03/39/39/1099033939.db2.gz DPZFHETYHMOLJK-LURJTMIESA-N 0 0 334.723 2.793 10 5 EFBERN COC(=O)Cc1ccc(NC[C@H](O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001611883125 1099037340 /nfs/dbraw/zinc/03/73/40/1099037340.db2.gz YXJMCOBCRDTWNL-INIZCTEOSA-N 0 0 348.330 2.595 10 5 EFBERN O=c1[nH]ccc(NC[C@@H](O)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC001611940090 1099038463 /nfs/dbraw/zinc/03/84/63/1099038463.db2.gz YGOLJJCFOIKING-OAHLLOKOSA-N 0 0 325.324 2.994 10 5 EFBERN CN(C)c1cc(CNc2nn(C)cc2[N+](=O)[O-])c2ccccc2n1 ZINC001612027735 1099040828 /nfs/dbraw/zinc/04/08/28/1099040828.db2.gz MGAGKGOJTHXHPP-UHFFFAOYSA-N 0 0 326.360 2.555 10 5 EFBERN Cc1nc2cc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)ccc2n1C ZINC001612035665 1099041067 /nfs/dbraw/zinc/04/10/67/1099041067.db2.gz 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EFBERN O=C(NCc1ccc(-c2nnco2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001626827663 1099924295 /nfs/dbraw/zinc/92/42/95/1099924295.db2.gz WCHFDKGZAISRSN-UHFFFAOYSA-N 0 0 342.286 2.714 10 5 EFBERN C[C@H](CNC(=O)Cn1ncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001626953253 1099940721 /nfs/dbraw/zinc/94/07/21/1099940721.db2.gz QZIALDJZOYLPOE-CYBMUJFWSA-N 0 0 338.367 2.864 10 5 EFBERN C[C@@H](CNC(=O)c1ncc2c(F)cccn21)c1ccccc1[N+](=O)[O-] ZINC001626952602 1099940745 /nfs/dbraw/zinc/94/07/45/1099940745.db2.gz JCIHKOKHUYNWOV-NSHDSACASA-N 0 0 342.330 2.915 10 5 EFBERN Cc1cc2cc(CNC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC001626976670 1099943696 /nfs/dbraw/zinc/94/36/96/1099943696.db2.gz DBDWKBVWPVXLDN-QGZVFWFLSA-N 0 0 339.351 2.734 10 5 EFBERN COC(=O)c1cc(C)cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC001627025168 1099948856 /nfs/dbraw/zinc/94/88/56/1099948856.db2.gz ZHZKTDCINMCTOV-UHFFFAOYSA-N 0 0 328.324 2.871 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC001627048044 1099951560 /nfs/dbraw/zinc/95/15/60/1099951560.db2.gz NFNHTNDHRNYZST-GFCCVEGCSA-N 0 0 332.335 2.716 10 5 EFBERN Cc1c(C(=O)NCC(=O)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC001627054696 1099951619 /nfs/dbraw/zinc/95/16/19/1099951619.db2.gz FBUUIJQXVHNIEJ-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3F)nc12 ZINC001627111859 1099957455 /nfs/dbraw/zinc/95/74/55/1099957455.db2.gz PLUPBNMLZKAHIM-UHFFFAOYSA-N 0 0 328.303 2.620 10 5 EFBERN C[C@@H](C(=O)Nc1ccccc1-n1nccn1)c1cccc([N+](=O)[O-])c1 ZINC001625897967 1099969303 /nfs/dbraw/zinc/96/93/03/1099969303.db2.gz GUDIKZMEGSKYJU-GFCCVEGCSA-N 0 0 337.339 2.918 10 5 EFBERN Nc1ncc(C(=O)Nc2nc(-c3ccco3)cs2)cc1[N+](=O)[O-] ZINC001627243133 1099971569 /nfs/dbraw/zinc/97/15/69/1099971569.db2.gz ISAOWBNKFDHVAP-UHFFFAOYSA-N 0 0 331.313 2.541 10 5 EFBERN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1nncn1C1CC1 ZINC001627348708 1099984235 /nfs/dbraw/zinc/98/42/35/1099984235.db2.gz RVRPSVSNWFXTNM-UHFFFAOYSA-N 0 0 335.751 2.746 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC001627385307 1099987829 /nfs/dbraw/zinc/98/78/29/1099987829.db2.gz JTDMKEFZVNJAPD-NSHDSACASA-N 0 0 345.355 2.535 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([S@@](C)=O)cc1 ZINC001627384818 1099988118 /nfs/dbraw/zinc/98/81/18/1099988118.db2.gz AFURNIVPSVEMJH-HSZRJFAPSA-N 0 0 333.369 2.626 10 5 EFBERN COc1ccc(C(=O)Nc2nccc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC001627520451 1100004179 /nfs/dbraw/zinc/00/41/79/1100004179.db2.gz SVZKIPJEGBSSJK-UHFFFAOYSA-N 0 0 330.344 2.943 10 5 EFBERN CC(C)(C)c1coc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC001627551144 1100009154 /nfs/dbraw/zinc/00/91/54/1100009154.db2.gz MJDJBJUTNFAJOM-UHFFFAOYSA-N 0 0 347.327 2.539 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C(C)(C)C)co2)c1 ZINC001627551155 1100009475 /nfs/dbraw/zinc/00/94/75/1100009475.db2.gz MKZQUPMXNBMSSB-UHFFFAOYSA-N 0 0 333.344 2.819 10 5 EFBERN O=C(Nc1cnn(Cc2ccncc2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001627581978 1100010177 /nfs/dbraw/zinc/01/01/77/1100010177.db2.gz JHCIXUZXSIPXRH-UHFFFAOYSA-N 0 0 341.302 2.626 10 5 EFBERN Cc1c(F)ccc(N)c1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001627586220 1100011474 /nfs/dbraw/zinc/01/14/74/1100011474.db2.gz SETKMLQSIGWZSN-UHFFFAOYSA-N 0 0 339.273 2.833 10 5 EFBERN Cc1cc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc([N+](=O)[O-])c1 ZINC001627824713 1100035327 /nfs/dbraw/zinc/03/53/27/1100035327.db2.gz QYURSFOENPPXSI-HNNXBMFYSA-N 0 0 343.339 2.718 10 5 EFBERN O=C(Nc1cc(-c2ccccc2)[nH]n1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001627827580 1100037049 /nfs/dbraw/zinc/03/70/49/1100037049.db2.gz ZOZMNXUFRCJWOM-INIZCTEOSA-N 0 0 338.323 2.657 10 5 EFBERN O=C(Nc1cc(-c2ccccc2)[nH]n1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001627827581 1100037153 /nfs/dbraw/zinc/03/71/53/1100037153.db2.gz ZOZMNXUFRCJWOM-MRXNPFEDSA-N 0 0 338.323 2.657 10 5 EFBERN Cc1cccc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)c1[N+](=O)[O-] ZINC001627951451 1100045733 /nfs/dbraw/zinc/04/57/33/1100045733.db2.gz RLZIZYAHKZKHLF-LBPRGKRZSA-N 0 0 349.412 2.947 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ncc(-c2ccccc2)o1 ZINC001627970202 1100046038 /nfs/dbraw/zinc/04/60/38/1100046038.db2.gz ZNFVIFDIZDPFFS-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC001627982704 1100048032 /nfs/dbraw/zinc/04/80/32/1100048032.db2.gz GEOVMACHCCYZOX-AWEZNQCLSA-N 0 0 332.331 2.721 10 5 EFBERN CCc1[nH]nc(C(=O)Nc2ccc(C(=O)C(C)C)cc2)c1[N+](=O)[O-] ZINC001627990227 1100048466 /nfs/dbraw/zinc/04/84/66/1100048466.db2.gz PMDIWXCWDSYIID-UHFFFAOYSA-N 0 0 330.344 2.971 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1n[nH]c2ccc(F)cc21 ZINC001628079584 1100060088 /nfs/dbraw/zinc/06/00/88/1100060088.db2.gz FOBRKVSIWNVXGD-UHFFFAOYSA-N 0 0 332.266 2.931 10 5 EFBERN Nc1ncc(C(=O)N[C@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC001628172431 1100070800 /nfs/dbraw/zinc/07/08/00/1100070800.db2.gz ZLAKMPMIAFJJCN-CQSZACIVSA-N 0 0 326.356 2.843 10 5 EFBERN CCCC[C@@H](O)CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001628185213 1100073309 /nfs/dbraw/zinc/07/33/09/1100073309.db2.gz COXXAMFFTVQXQQ-OAHLLOKOSA-N 0 0 349.431 2.575 10 5 EFBERN CN(C[Si](C)(C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001628189320 1100074720 /nfs/dbraw/zinc/07/47/20/1100074720.db2.gz WLASXHLULJAPRC-UHFFFAOYSA-N 0 0 347.447 2.858 10 5 EFBERN Cc1cc(OCC(=O)Nc2[nH][nH]c3cc(=O)ccc2-3)ccc1[N+](=O)[O-] ZINC001628215178 1100077933 /nfs/dbraw/zinc/07/79/33/1100077933.db2.gz QTSSRCOQELXRSI-UHFFFAOYSA-N 0 0 342.311 2.503 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(-c2cnco2)c1 ZINC001628221814 1100078961 /nfs/dbraw/zinc/07/89/61/1100078961.db2.gz YQHCOIGCKZARFG-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN COc1ccccc1[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001628301318 1100087721 /nfs/dbraw/zinc/08/77/21/1100087721.db2.gz AINNLDKHMNKHDH-MRXNPFEDSA-N 0 0 330.340 2.892 10 5 EFBERN Cc1ccnc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001628445060 1100103436 /nfs/dbraw/zinc/10/34/36/1100103436.db2.gz DYBPAYNTWRGRNQ-UHFFFAOYSA-N 0 0 327.340 2.578 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1ccccn1 ZINC001628454153 1100103500 /nfs/dbraw/zinc/10/35/00/1100103500.db2.gz PPIOCZMQWPNWCE-CQSZACIVSA-N 0 0 347.396 2.565 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001628542644 1100111324 /nfs/dbraw/zinc/11/13/24/1100111324.db2.gz ZYRSQRCLLWTFPK-HNNXBMFYSA-N 0 0 329.360 2.645 10 5 EFBERN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N1CCO[C@H](CC)C1 ZINC001628542635 1100111376 /nfs/dbraw/zinc/11/13/76/1100111376.db2.gz ZSZWUVRGLUEKBA-GDBMZVCRSA-N 0 0 335.404 2.731 10 5 EFBERN Nc1ncc(C(=O)N2CCS[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001628636692 1100119474 /nfs/dbraw/zinc/11/94/74/1100119474.db2.gz WQBWEOSGCUEDLQ-AWEZNQCLSA-N 0 0 344.396 2.502 10 5 EFBERN CCc1ccc(C(=O)NN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001628725417 1100127932 /nfs/dbraw/zinc/12/79/32/1100127932.db2.gz KMSZQVLBZHTLMB-UHFFFAOYSA-N 0 0 325.368 2.860 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC001628740500 1100129251 /nfs/dbraw/zinc/12/92/51/1100129251.db2.gz GKHAQPKHVOOQGD-UHFFFAOYSA-N 0 0 346.391 2.520 10 5 EFBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ccc(F)cc1 ZINC001628749830 1100130970 /nfs/dbraw/zinc/13/09/70/1100130970.db2.gz BFGGZXLHEDMELS-OAHLLOKOSA-N 0 0 333.319 2.555 10 5 EFBERN C[C@](O)(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001628786124 1100135064 /nfs/dbraw/zinc/13/50/64/1100135064.db2.gz OAOLRHYJMUDCCG-KRWDZBQOSA-N 0 0 344.367 2.633 10 5 EFBERN Nc1ncc(C(=O)N[C@@H]2CCCc3c(F)cccc32)cc1[N+](=O)[O-] ZINC001628830366 1100139928 /nfs/dbraw/zinc/13/99/28/1100139928.db2.gz VATXBCNSCCTECF-CYBMUJFWSA-N 0 0 330.319 2.519 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cncc3ncn(C)c32)cc1[N+](=O)[O-] ZINC001628945897 1100151319 /nfs/dbraw/zinc/15/13/19/1100151319.db2.gz DUBOYAJDQVAEDV-LLVKDONJSA-N 0 0 339.355 2.676 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)c2cncc3ncn(C)c32)cc1[N+](=O)[O-] ZINC001628945898 1100151822 /nfs/dbraw/zinc/15/18/22/1100151822.db2.gz DUBOYAJDQVAEDV-NSHDSACASA-N 0 0 339.355 2.676 10 5 EFBERN Cc1cnn([C@@H]2CCN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC001628948198 1100151831 /nfs/dbraw/zinc/15/18/31/1100151831.db2.gz PTLWLRVWNVNAJY-CYBMUJFWSA-N 0 0 348.790 2.769 10 5 EFBERN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001629036091 1100163212 /nfs/dbraw/zinc/16/32/12/1100163212.db2.gz SCOYUMWUUPSQHM-NWDGAFQWSA-N 0 0 348.309 2.712 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001629031842 1100163261 /nfs/dbraw/zinc/16/32/61/1100163261.db2.gz OTEKTWOFIUULKV-WDEREUQCSA-N 0 0 330.718 2.904 10 5 EFBERN COc1cccc([C@@H]2CCCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001629122582 1100171024 /nfs/dbraw/zinc/17/10/24/1100171024.db2.gz JAXVRRUCIIAOAJ-AWEZNQCLSA-N 0 0 342.355 2.558 10 5 EFBERN COc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1F ZINC001629126952 1100171572 /nfs/dbraw/zinc/17/15/72/1100171572.db2.gz UNQRXJQRHHIBOD-UHFFFAOYSA-N 0 0 336.294 2.741 10 5 EFBERN CCOc1cc(/C=C\C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)ccc1O ZINC001629193176 1100179402 /nfs/dbraw/zinc/17/94/02/1100179402.db2.gz AFVIYGQRJFZWLD-YWEYNIOJSA-N 0 0 343.339 2.933 10 5 EFBERN C[C@H](COCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001629193189 1100179917 /nfs/dbraw/zinc/17/99/17/1100179917.db2.gz APFSWVOZTMNVAW-GFCCVEGCSA-N 0 0 329.356 2.936 10 5 EFBERN Nc1nccc(C(=O)NCc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC001629224991 1100185051 /nfs/dbraw/zinc/18/50/51/1100185051.db2.gz XNEMJYQTDFFORA-UHFFFAOYSA-N 0 0 341.154 2.809 10 5 EFBERN COc1cc(Cl)c(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1C ZINC001629249860 1100188491 /nfs/dbraw/zinc/18/84/91/1100188491.db2.gz LYBNYPXLIIDQHI-UHFFFAOYSA-N 0 0 336.735 2.795 10 5 EFBERN CN(C[C@H]1CCCOC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001629290238 1100191946 /nfs/dbraw/zinc/19/19/46/1100191946.db2.gz JFMKYFCKEBNOPX-GFCCVEGCSA-N 0 0 326.780 2.676 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)CC(=O)N2 ZINC001629315468 1100195062 /nfs/dbraw/zinc/19/50/62/1100195062.db2.gz RIBJAFJKWPUFCU-UHFFFAOYSA-N 0 0 345.742 2.924 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NOCc1ccccc1 ZINC001629329791 1100198500 /nfs/dbraw/zinc/19/85/00/1100198500.db2.gz ANEIXXHCXSTRRM-UHFFFAOYSA-N 0 0 347.302 2.554 10 5 EFBERN CC(=O)C1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001629368383 1100203188 /nfs/dbraw/zinc/20/31/88/1100203188.db2.gz OLKYTGJEFSQEKD-UHFFFAOYSA-N 0 0 331.353 2.570 10 5 EFBERN O=C(NC[C@H]1CSCCS1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001629376774 1100205116 /nfs/dbraw/zinc/20/51/16/1100205116.db2.gz JGEINAAJNBENOS-QMMMGPOBSA-N 0 0 332.834 2.827 10 5 EFBERN O=C(NCc1cc(=O)cc[nH]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001629394475 1100206510 /nfs/dbraw/zinc/20/65/10/1100206510.db2.gz HIEHIFLRVCLLIN-UHFFFAOYSA-N 0 0 342.138 2.520 10 5 EFBERN Cc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2N)sc1C ZINC001629433223 1100210852 /nfs/dbraw/zinc/21/08/52/1100210852.db2.gz QIIRGDPOPDCOGX-UHFFFAOYSA-N 0 0 334.401 2.915 10 5 EFBERN COc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH]n1 ZINC001629464470 1100213504 /nfs/dbraw/zinc/21/35/04/1100213504.db2.gz DJXSXSZAABCAMA-UHFFFAOYSA-N 0 0 334.335 2.665 10 5 EFBERN COc1cc(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1O ZINC001629648300 1100231904 /nfs/dbraw/zinc/23/19/04/1100231904.db2.gz KAIYLZVRCJWQAA-UHFFFAOYSA-N 0 0 330.340 2.510 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ncccn1 ZINC001629866389 1100254078 /nfs/dbraw/zinc/25/40/78/1100254078.db2.gz DWGKRAMCAZMHAD-ZDUSSCGKSA-N 0 0 330.319 2.810 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2csc(-c3ccco3)n2)n1 ZINC001629860922 1100254201 /nfs/dbraw/zinc/25/42/01/1100254201.db2.gz OMMMKEDBCDTKQG-UHFFFAOYSA-N 0 0 344.352 2.945 10 5 EFBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001629959037 1100262517 /nfs/dbraw/zinc/26/25/17/1100262517.db2.gz QYKLUTKATYYDKM-OAHLLOKOSA-N 0 0 336.294 2.991 10 5 EFBERN COC1([C@@H](C)NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCC1 ZINC001630051868 1100272237 /nfs/dbraw/zinc/27/22/37/1100272237.db2.gz JGMMYUNETRHZNK-SSDOTTSWSA-N 0 0 345.758 2.657 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1sc(C)nc1C ZINC001630111606 1100276698 /nfs/dbraw/zinc/27/66/98/1100276698.db2.gz SLKVOZNRNSGQPX-UHFFFAOYSA-N 0 0 335.385 2.997 10 5 EFBERN Cc1nn(C)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1C ZINC001630176666 1100282615 /nfs/dbraw/zinc/28/26/15/1100282615.db2.gz OGADEXVRRKXMFN-UHFFFAOYSA-N 0 0 340.343 2.588 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H](O)c1ccccc1F ZINC001630172546 1100283357 /nfs/dbraw/zinc/28/33/57/1100283357.db2.gz KQQFJIBGVIYQTL-HZPDHXFCSA-N 0 0 347.346 2.558 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CSC(c2ccccc2)=N1 ZINC001630301029 1100291289 /nfs/dbraw/zinc/29/12/89/1100291289.db2.gz WLKSAQUQWXGGJN-AWEZNQCLSA-N 0 0 341.392 2.773 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cnn2cccc(Cl)c12 ZINC001630300973 1100291535 /nfs/dbraw/zinc/29/15/35/1100291535.db2.gz UXYWFUZPLVTJEI-UHFFFAOYSA-N 0 0 330.731 2.826 10 5 EFBERN O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001630302905 1100292259 /nfs/dbraw/zinc/29/22/59/1100292259.db2.gz RAARRJWIXHSLNS-UKRRQHHQSA-N 0 0 348.742 2.532 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccccc1O ZINC001630363421 1100298748 /nfs/dbraw/zinc/29/87/48/1100298748.db2.gz ORNFAKGOJIJYEO-UHFFFAOYSA-N 0 0 332.381 2.995 10 5 EFBERN COCn1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cn1 ZINC001630668059 1100328133 /nfs/dbraw/zinc/32/81/33/1100328133.db2.gz ROLSNBOFYBWXKO-UHFFFAOYSA-N 0 0 348.362 2.734 10 5 EFBERN COCn1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC001630667330 1100328267 /nfs/dbraw/zinc/32/82/67/1100328267.db2.gz GPTXBPLUURKFLD-UHFFFAOYSA-N 0 0 344.249 2.666 10 5 EFBERN Cc1cnc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])nc1 ZINC001630679606 1100330195 /nfs/dbraw/zinc/33/01/95/1100330195.db2.gz LAXWVYJDXPMJFU-UHFFFAOYSA-N 0 0 349.350 2.685 10 5 EFBERN O=C(Cc1c[nH]c2cnc(Cl)cc12)NCc1ccc([N+](=O)[O-])cc1 ZINC001630713512 1100332888 /nfs/dbraw/zinc/33/28/88/1100332888.db2.gz OBGXSUXELKQKSE-UHFFFAOYSA-N 0 0 344.758 2.983 10 5 EFBERN CCc1[nH]nc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)c1C ZINC001630717522 1100333957 /nfs/dbraw/zinc/33/39/57/1100333957.db2.gz PBBMHSWWOGNFAO-UHFFFAOYSA-N 0 0 341.730 2.816 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC001630727435 1100334125 /nfs/dbraw/zinc/33/41/25/1100334125.db2.gz UWUUMASIBCMMIH-UHFFFAOYSA-N 0 0 339.760 2.505 10 5 EFBERN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nccn1C ZINC001630742887 1100334459 /nfs/dbraw/zinc/33/44/59/1100334459.db2.gz IYVICMVPSJZTIQ-GFCCVEGCSA-N 0 0 346.390 2.906 10 5 EFBERN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nccn1C ZINC001630742890 1100335214 /nfs/dbraw/zinc/33/52/14/1100335214.db2.gz IYVICMVPSJZTIQ-LBPRGKRZSA-N 0 0 346.390 2.906 10 5 EFBERN CC(C)n1ncnc1COC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001270983852 1100338667 /nfs/dbraw/zinc/33/86/67/1100338667.db2.gz YENQWBUCRSMCHJ-KBPBESRZSA-N 0 0 330.344 2.614 10 5 EFBERN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001630810381 1100342357 /nfs/dbraw/zinc/34/23/57/1100342357.db2.gz BHZYUPKRWNOHKT-ZUZCIYMTSA-N 0 0 334.303 2.929 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CCO)c1ccccc1F ZINC001630877391 1100348024 /nfs/dbraw/zinc/34/80/24/1100348024.db2.gz ZDHUVJNDJPACOK-MRXNPFEDSA-N 0 0 332.331 2.896 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn2c(C)cnc2c1 ZINC001630890463 1100352007 /nfs/dbraw/zinc/35/20/07/1100352007.db2.gz IJXQSNBDUDODEA-UHFFFAOYSA-N 0 0 325.328 2.845 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)c1ccccc1F ZINC001630957609 1100356433 /nfs/dbraw/zinc/35/64/33/1100356433.db2.gz KNSDMUCUAMBIST-HNNXBMFYSA-N 0 0 332.331 2.814 10 5 EFBERN Cc1cccc([C@@H]2CCCN2C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n1 ZINC001630968172 1100357625 /nfs/dbraw/zinc/35/76/25/1100357625.db2.gz BRNMWBJAWDHXGH-JTQLQIEISA-N 0 0 335.751 2.652 10 5 EFBERN CC(C)(C)OC(=O)c1c[nH]nc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001631070662 1100367103 /nfs/dbraw/zinc/36/71/03/1100367103.db2.gz LKKMRBQTPVAKMO-UHFFFAOYSA-N 0 0 332.316 2.526 10 5 EFBERN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c(N)cc1F ZINC001631094527 1100368995 /nfs/dbraw/zinc/36/89/95/1100368995.db2.gz UYRILTXUWHOZLO-UHFFFAOYSA-N 0 0 339.273 2.833 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C(=O)c1ccc(F)cc1 ZINC001631094200 1100369140 /nfs/dbraw/zinc/36/91/40/1100369140.db2.gz LHESZWQSRAGVCO-UHFFFAOYSA-N 0 0 338.241 2.511 10 5 EFBERN COc1cnc(F)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001631098209 1100369205 /nfs/dbraw/zinc/36/92/05/1100369205.db2.gz GGLDDQLADYCUKJ-UHFFFAOYSA-N 0 0 339.710 2.972 10 5 EFBERN O=C(NCc1ccc(-c2cnco2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001631116579 1100372189 /nfs/dbraw/zinc/37/21/89/1100372189.db2.gz GLBNSWGWVOHEPK-UHFFFAOYSA-N 0 0 347.718 2.556 10 5 EFBERN COc1ccc2c(c1)CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C2 ZINC001631130218 1100373612 /nfs/dbraw/zinc/37/36/12/1100373612.db2.gz OGGLVCMCZPJBQN-UHFFFAOYSA-N 0 0 330.315 2.827 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC(F)F)CC1 ZINC001631494415 1100403643 /nfs/dbraw/zinc/40/36/43/1100403643.db2.gz LLRIQLAJGZNJQO-UHFFFAOYSA-N 0 0 345.321 2.502 10 5 EFBERN CC[N@H+]1[C@H](C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC001631502650 1100405060 /nfs/dbraw/zinc/40/50/60/1100405060.db2.gz KHLUSQRXLYLVHW-AOOOYVTPSA-N 0 0 341.795 2.509 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(CO)c(F)c1)CC2 ZINC001631570003 1100410852 /nfs/dbraw/zinc/41/08/52/1100410852.db2.gz YASJDAYNVAJKJE-UHFFFAOYSA-N 0 0 330.315 2.738 10 5 EFBERN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cnccn1 ZINC001631740380 1100424250 /nfs/dbraw/zinc/42/42/50/1100424250.db2.gz ZWMJWVPPFUGGQY-MRVPVSSYSA-N 0 0 340.261 2.895 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(-c2cnco2)c1 ZINC001631798284 1100428243 /nfs/dbraw/zinc/42/82/43/1100428243.db2.gz UMUJKROTIXMTKY-UHFFFAOYSA-N 0 0 338.323 2.762 10 5 EFBERN Cc1ocnc1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001631889522 1100437089 /nfs/dbraw/zinc/43/70/89/1100437089.db2.gz HVFPJZMPKBLPSM-UHFFFAOYSA-N 0 0 326.312 2.557 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(CO)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC001631904559 1100437921 /nfs/dbraw/zinc/43/79/21/1100437921.db2.gz DHZPCQBTPALDLV-MRXNPFEDSA-N 0 0 344.367 2.977 10 5 EFBERN O=C(Nc1nncn1-c1ccccc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001632043846 1100449181 /nfs/dbraw/zinc/44/91/81/1100449181.db2.gz WUWDWEQSAIUTSU-HZPDHXFCSA-N 0 0 349.350 2.918 10 5 EFBERN CCc1ccncc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001632073016 1100451105 /nfs/dbraw/zinc/45/11/05/1100451105.db2.gz BSIXVRCQNISLJB-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001632150942 1100456367 /nfs/dbraw/zinc/45/63/67/1100456367.db2.gz XXKCDFDYSPPKAN-LBPRGKRZSA-N 0 0 344.342 2.593 10 5 EFBERN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)CCC2 ZINC001632167981 1100457956 /nfs/dbraw/zinc/45/79/56/1100457956.db2.gz SONMTDITNMFPNY-KRWDZBQOSA-N 0 0 341.367 2.993 10 5 EFBERN Cc1cccc2ncc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)n21 ZINC001632260298 1100462981 /nfs/dbraw/zinc/46/29/81/1100462981.db2.gz MHGWGBFKTQWZMK-UHFFFAOYSA-N 0 0 336.311 2.680 10 5 EFBERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001632269253 1100463664 /nfs/dbraw/zinc/46/36/64/1100463664.db2.gz RXYOLDCGTHYLFP-BJHJDKERSA-N 0 0 349.387 2.628 10 5 EFBERN CCCC[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC ZINC001632343518 1100467200 /nfs/dbraw/zinc/46/72/00/1100467200.db2.gz RNPSXTOJBRZEPO-GFCCVEGCSA-N 0 0 342.779 2.639 10 5 EFBERN Cc1ccc(CNC(=O)c2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC001632371449 1100469495 /nfs/dbraw/zinc/46/94/95/1100469495.db2.gz SBOMZTXKAVWZEM-UHFFFAOYSA-N 0 0 337.339 2.618 10 5 EFBERN CCC1(CC)[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001632459780 1100476172 /nfs/dbraw/zinc/47/61/72/1100476172.db2.gz UOWQXYJVJZTACY-GJZGRUSLSA-N 0 0 335.404 2.717 10 5 EFBERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2c(cc[nH]c2=O)c1 ZINC001632457625 1100476226 /nfs/dbraw/zinc/47/62/26/1100476226.db2.gz NKXGBNYWYVDGBU-UHFFFAOYSA-N 0 0 341.298 2.757 10 5 EFBERN CCc1[nH]c(=O)c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC001632510505 1100479196 /nfs/dbraw/zinc/47/91/96/1100479196.db2.gz CVQVAIXOVJMPCV-UHFFFAOYSA-N 0 0 331.328 2.827 10 5 EFBERN Cc1nnc([C@@H](C)NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001632516904 1100479400 /nfs/dbraw/zinc/47/94/00/1100479400.db2.gz GJGVSQNLDDHXOI-SSDOTTSWSA-N 0 0 340.792 2.828 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1c2ccccc2C[C@@H]1CO ZINC001632535656 1100481947 /nfs/dbraw/zinc/48/19/47/1100481947.db2.gz RXWLTYSYSCENAM-GFCCVEGCSA-N 0 0 337.335 2.640 10 5 EFBERN CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])CC(C)C ZINC001632730185 1100497260 /nfs/dbraw/zinc/49/72/60/1100497260.db2.gz UNNSMHJXPHAEJW-ZDUSSCGKSA-N 0 0 337.420 2.787 10 5 EFBERN COC(=O)c1[nH]c(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001632820677 1100502570 /nfs/dbraw/zinc/50/25/70/1100502570.db2.gz ZMHNGBZDMHLMMC-UHFFFAOYSA-N 0 0 337.719 2.924 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cnccc1C ZINC001632943967 1100510370 /nfs/dbraw/zinc/51/03/70/1100510370.db2.gz ZYWOUYUZLPFVHB-UHFFFAOYSA-N 0 0 332.291 2.648 10 5 EFBERN CCN(C)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001632977434 1100512032 /nfs/dbraw/zinc/51/20/32/1100512032.db2.gz UFDUHFCEEHUUPX-UHFFFAOYSA-N 0 0 328.372 2.563 10 5 EFBERN CN(Cc1ncccn1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001632988796 1100514103 /nfs/dbraw/zinc/51/41/03/1100514103.db2.gz PPNPCLYFWOTDFX-UHFFFAOYSA-N 0 0 340.261 2.676 10 5 EFBERN C/C(=C\c1cccnc1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001633006717 1100515107 /nfs/dbraw/zinc/51/51/07/1100515107.db2.gz RAYAWXKAWWNFNJ-UKTHLTGXSA-N 0 0 339.351 2.683 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1Cc2cncnc2[C@H](C)C1 ZINC001633009024 1100516118 /nfs/dbraw/zinc/51/61/18/1100516118.db2.gz UMISJLRJLKVTRX-LLVKDONJSA-N 0 0 342.355 2.543 10 5 EFBERN Cc1ccccc1C[C@@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001633030638 1100516903 /nfs/dbraw/zinc/51/69/03/1100516903.db2.gz QXXNGPMDFKMIMR-ZDUSSCGKSA-N 0 0 348.786 2.890 10 5 EFBERN O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC001633110825 1100523046 /nfs/dbraw/zinc/52/30/46/1100523046.db2.gz KNMVRMFSGFYSCJ-VIFPVBQESA-N 0 0 330.678 2.708 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC001633225336 1100529210 /nfs/dbraw/zinc/52/92/10/1100529210.db2.gz FMGOXNYHHGZGOA-SNVBAGLBSA-N 0 0 325.296 2.633 10 5 EFBERN COc1cc(C)c(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001633219352 1100529363 /nfs/dbraw/zinc/52/93/63/1100529363.db2.gz IKZIMCPQYIYPLF-HNNXBMFYSA-N 0 0 334.303 2.723 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC001633226073 1100529568 /nfs/dbraw/zinc/52/95/68/1100529568.db2.gz QGFVRNZRFRRDBS-SECBINFHSA-N 0 0 335.389 2.528 10 5 EFBERN Cc1c(C(=O)N2CCC[C@@H](CF)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001633225268 1100529634 /nfs/dbraw/zinc/52/96/34/1100529634.db2.gz DHIPMQSSWZAWLS-NSHDSACASA-N 0 0 339.323 2.942 10 5 EFBERN COc1c(C)cc(Cl)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001633266818 1100532389 /nfs/dbraw/zinc/53/23/89/1100532389.db2.gz UWPVCLFPIXACHB-UHFFFAOYSA-N 0 0 337.719 2.918 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@H]1C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC001633308939 1100536089 /nfs/dbraw/zinc/53/60/89/1100536089.db2.gz SGIZMQDZRDUHIU-DUVNUKRYSA-N 0 0 335.404 2.991 10 5 EFBERN O=C(C[C@H]1Cc2ccccc2O1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001633374998 1100539468 /nfs/dbraw/zinc/53/94/68/1100539468.db2.gz OAJUQIAQFQCKLP-GFCCVEGCSA-N 0 0 338.323 2.803 10 5 EFBERN CC[C@@H]1Cc2ccccc2CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001633525877 1100546998 /nfs/dbraw/zinc/54/69/98/1100546998.db2.gz OJZPGHYTQHHAHH-LLVKDONJSA-N 0 0 334.763 2.948 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Oc1cccc2c1OCCO2 ZINC001633620016 1100554519 /nfs/dbraw/zinc/55/45/19/1100554519.db2.gz AEIMDLFZJOBISY-UHFFFAOYSA-N 0 0 333.271 2.653 10 5 EFBERN Cc1cccc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC001633644300 1100556428 /nfs/dbraw/zinc/55/64/28/1100556428.db2.gz DGXILWGYUOJTPJ-AWEZNQCLSA-N 0 0 336.294 2.645 10 5 EFBERN Cc1n[nH]c(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C ZINC001633697891 1100560011 /nfs/dbraw/zinc/56/00/11/1100560011.db2.gz XEZIUSQYLVFFHJ-UHFFFAOYSA-N 0 0 342.277 2.884 10 5 EFBERN CC[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC001633748380 1100563285 /nfs/dbraw/zinc/56/32/85/1100563285.db2.gz ZNNMVBNJRFADGO-LBPRGKRZSA-N 0 0 326.780 2.818 10 5 EFBERN CC[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC001633748379 1100563617 /nfs/dbraw/zinc/56/36/17/1100563617.db2.gz ZNNMVBNJRFADGO-GFCCVEGCSA-N 0 0 326.780 2.818 10 5 EFBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc2cc(F)ccc2[nH]c1=O ZINC001633762428 1100564194 /nfs/dbraw/zinc/56/41/94/1100564194.db2.gz YZPMBYJAGBKCTL-UHFFFAOYSA-N 0 0 341.298 2.505 10 5 EFBERN Cc1cc(F)cc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001633827055 1100568760 /nfs/dbraw/zinc/56/87/60/1100568760.db2.gz USOZAHORKLMGMZ-UHFFFAOYSA-N 0 0 348.305 2.525 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001633848542 1100569299 /nfs/dbraw/zinc/56/92/99/1100569299.db2.gz VKXMXWBGFWDOTQ-AULYBMBSSA-N 0 0 344.392 2.999 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC001633863113 1100570762 /nfs/dbraw/zinc/57/07/62/1100570762.db2.gz OCBASAKJPCBHHQ-UHFFFAOYSA-N 0 0 339.273 2.838 10 5 EFBERN CC[C@@H](C)c1ncc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cn1 ZINC001633918616 1100574402 /nfs/dbraw/zinc/57/44/02/1100574402.db2.gz QGVKGURTONVOMH-MRVPVSSYSA-N 0 0 333.323 2.872 10 5 EFBERN Cc1ccc(C[C@H](C)N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001634008161 1100579734 /nfs/dbraw/zinc/57/97/34/1100579734.db2.gz NETWJTAASCYVHX-LBPRGKRZSA-N 0 0 328.372 2.584 10 5 EFBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2c(Cl)cccc2C1 ZINC001634064867 1100582930 /nfs/dbraw/zinc/58/29/30/1100582930.db2.gz DLWWRZPOBRRCML-INIZCTEOSA-N 0 0 346.770 2.867 10 5 EFBERN Cc1c(CNC(=O)c2ccc(N(C)C)c(C=O)c2)cccc1[N+](=O)[O-] ZINC001634104364 1100584716 /nfs/dbraw/zinc/58/47/16/1100584716.db2.gz RHEWKSDLYPCSMQ-UHFFFAOYSA-N 0 0 341.367 2.712 10 5 EFBERN Cc1cc(C)c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)n1 ZINC001634186956 1100589276 /nfs/dbraw/zinc/58/92/76/1100589276.db2.gz KQFKXMNVDKYILK-UHFFFAOYSA-N 0 0 339.355 2.721 10 5 EFBERN Cc1cccc(CONC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC001634250696 1100592842 /nfs/dbraw/zinc/59/28/42/1100592842.db2.gz DTXDJPRBMIYEPE-UHFFFAOYSA-N 0 0 342.355 2.734 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccc3[nH]ccc3n2)cc([N+](=O)[O-])c1 ZINC001634348065 1100602726 /nfs/dbraw/zinc/60/27/26/1100602726.db2.gz QXNSNQWFHGYMSD-UHFFFAOYSA-N 0 0 340.295 2.510 10 5 EFBERN COC(=O)c1[nH]c(C)c(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC001634396152 1100605852 /nfs/dbraw/zinc/60/58/52/1100605852.db2.gz JZLNQFGQBUGWDO-SNVBAGLBSA-N 0 0 345.355 2.817 10 5 EFBERN Cc1coc(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001634483359 1100610711 /nfs/dbraw/zinc/61/07/11/1100610711.db2.gz YEOVMJDVCJHURM-UHFFFAOYSA-N 0 0 328.328 2.735 10 5 EFBERN CCOCc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001634527739 1100613500 /nfs/dbraw/zinc/61/35/00/1100613500.db2.gz OOCOSKAJOJPCBY-MRXNPFEDSA-N 0 0 330.340 2.803 10 5 EFBERN Nc1c(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)cc(F)cc1[N+](=O)[O-] ZINC001634545760 1100615588 /nfs/dbraw/zinc/61/55/88/1100615588.db2.gz VJIFRUYKNSESNX-XHDPSFHLSA-N 0 0 349.293 2.518 10 5 EFBERN C[C@H](Cc1ccncc1)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634634637 1100620617 /nfs/dbraw/zinc/62/06/17/1100620617.db2.gz OVFOQQIMBUZMEV-LLVKDONJSA-N 0 0 333.775 2.933 10 5 EFBERN C[C@H]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001634644675 1100621644 /nfs/dbraw/zinc/62/16/44/1100621644.db2.gz HOGSPFVHUHLUEK-STQMWFEESA-N 0 0 333.388 2.804 10 5 EFBERN C[C@@H](O)C[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001634651113 1100622516 /nfs/dbraw/zinc/62/25/16/1100622516.db2.gz XFGXKOLTFXNZHN-DGCLKSJQSA-N 0 0 340.807 2.943 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2ccn3ccnc3c2)cc1[N+](=O)[O-] ZINC001634730916 1100627330 /nfs/dbraw/zinc/62/73/30/1100627330.db2.gz OXJGRJOSLDULQU-UHFFFAOYSA-N 0 0 331.719 2.730 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC=CC12CCCC2 ZINC001634763379 1100628898 /nfs/dbraw/zinc/62/88/98/1100628898.db2.gz FLVHERZTYYZVDU-UHFFFAOYSA-N 0 0 341.371 2.865 10 5 EFBERN CC(=O)c1c[nH]c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1 ZINC001634767150 1100629662 /nfs/dbraw/zinc/62/96/62/1100629662.db2.gz SQILACOENGDJQJ-UHFFFAOYSA-N 0 0 339.710 2.848 10 5 EFBERN CCC(CC)(CCO)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001634878662 1100634314 /nfs/dbraw/zinc/63/43/14/1100634314.db2.gz OTUNGMQUYSFYIB-UHFFFAOYSA-N 0 0 329.784 2.501 10 5 EFBERN C[C@@H]1Cc2cnccc2N1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001635022164 1100640414 /nfs/dbraw/zinc/64/04/14/1100640414.db2.gz QCLNLAPJNIYUKP-GFCCVEGCSA-N 0 0 349.350 2.767 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(O)c(F)c1 ZINC001635065388 1100643003 /nfs/dbraw/zinc/64/30/03/1100643003.db2.gz KVTBMDQNUNOLNC-UHFFFAOYSA-N 0 0 332.331 2.683 10 5 EFBERN C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(F)cc1F ZINC001635199607 1100648886 /nfs/dbraw/zinc/64/88/86/1100648886.db2.gz GNBBEEPATRLKDC-YFKPBYRVSA-N 0 0 330.678 2.741 10 5 EFBERN COc1cc(CO)ccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001635273509 1100652399 /nfs/dbraw/zinc/65/23/99/1100652399.db2.gz CORVWUBHCZQKHQ-UHFFFAOYSA-N 0 0 344.367 2.761 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCOc2cncc(Cl)c2)c1 ZINC001635266160 1100652417 /nfs/dbraw/zinc/65/24/17/1100652417.db2.gz URZIUAQJFZCVCL-UHFFFAOYSA-N 0 0 335.747 2.760 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ncon2)C1 ZINC001635319916 1100654574 /nfs/dbraw/zinc/65/45/74/1100654574.db2.gz HCNNDBJFGREREE-JTQLQIEISA-N 0 0 348.384 2.720 10 5 EFBERN Nc1c(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cccc1[N+](=O)[O-] ZINC001635356125 1100656776 /nfs/dbraw/zinc/65/67/76/1100656776.db2.gz SCIHVPQLHWKLEX-SGIREYDYSA-N 0 0 343.770 2.899 10 5 EFBERN Cc1nc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]c1C ZINC001635375886 1100657591 /nfs/dbraw/zinc/65/75/91/1100657591.db2.gz SNUWDOYHURNFFZ-UHFFFAOYSA-N 0 0 328.372 2.673 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](O)c1ccccc1F ZINC001635452222 1100662548 /nfs/dbraw/zinc/66/25/48/1100662548.db2.gz VEIZMESEIATDNS-AWEZNQCLSA-N 0 0 336.294 2.645 10 5 EFBERN O=C(Oc1ccc2c(c1)CC(=O)N2)c1cccc([N+](=O)[O-])c1Cl ZINC001635532483 1100666280 /nfs/dbraw/zinc/66/62/80/1100666280.db2.gz XHCIKHMWZTWEOW-UHFFFAOYSA-N 0 0 332.699 2.962 10 5 EFBERN O=C(N[C@H]1CCCc2c[nH]nc21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001635598972 1100669997 /nfs/dbraw/zinc/66/99/97/1100669997.db2.gz LJJLZBHNLANVFA-HNNXBMFYSA-N 0 0 340.383 2.933 10 5 EFBERN C[C@@](CO)(NC(=O)c1cccc2cc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC001635618984 1100670432 /nfs/dbraw/zinc/67/04/32/1100670432.db2.gz PFQUISIQDMNWSM-SFHVURJKSA-N 0 0 339.351 2.714 10 5 EFBERN Cc1c(C(=O)NCC(=O)c2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC001635758780 1100678655 /nfs/dbraw/zinc/67/86/55/1100678655.db2.gz KTPDLVYRNTXFDT-UHFFFAOYSA-N 0 0 334.278 2.794 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2ccc3ncn(C)c3c2)c1[N+](=O)[O-] ZINC001635781238 1100679255 /nfs/dbraw/zinc/67/92/55/1100679255.db2.gz PALCHKGCTKUSQU-UHFFFAOYSA-N 0 0 328.332 2.580 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](c2cnccn2)C1 ZINC001635792897 1100680295 /nfs/dbraw/zinc/68/02/95/1100680295.db2.gz WWAQSACKHYWTLL-LBPRGKRZSA-N 0 0 346.774 2.597 10 5 EFBERN CC[C@@H](C)[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)OC ZINC001635987281 1100690999 /nfs/dbraw/zinc/69/09/99/1100690999.db2.gz SLPNTVOPRRQFET-GMSGAONNSA-N 0 0 347.774 2.760 10 5 EFBERN COc1cc(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1O ZINC001636013217 1100693574 /nfs/dbraw/zinc/69/35/74/1100693574.db2.gz BNYSUIPZYZLGMK-UHFFFAOYSA-N 0 0 348.330 2.729 10 5 EFBERN CCOC(=O)c1n[nH]c(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC001636025268 1100694484 /nfs/dbraw/zinc/69/44/84/1100694484.db2.gz VGEXZOWMBVQEPS-UHFFFAOYSA-N 0 0 346.343 2.672 10 5 EFBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCc2cccc(O)c2)c1F ZINC001636057716 1100697173 /nfs/dbraw/zinc/69/71/73/1100697173.db2.gz IUISDPUMYVZAEI-UHFFFAOYSA-N 0 0 336.294 2.860 10 5 EFBERN CC[C@@H](C[C@@H](C)O)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001636056674 1100697212 /nfs/dbraw/zinc/69/72/12/1100697212.db2.gz YGHBAXGCXFMEBO-OCCSQVGLSA-N 0 0 343.383 2.936 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1cccc(O)c1 ZINC001636058045 1100697288 /nfs/dbraw/zinc/69/72/88/1100697288.db2.gz ORERGOXEZOJFJE-UHFFFAOYSA-N 0 0 330.340 2.672 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc2c([nH]c1=O)CCCC2 ZINC001636074157 1100699255 /nfs/dbraw/zinc/69/92/55/1100699255.db2.gz ROXJDIDRONPTAL-UHFFFAOYSA-N 0 0 341.367 2.813 10 5 EFBERN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001636136902 1100702633 /nfs/dbraw/zinc/70/26/33/1100702633.db2.gz KRKFKLQOXXFQSF-BXUZGUMPSA-N 0 0 326.356 2.795 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1cncs1)Cc1cncs1 ZINC001636181571 1100704814 /nfs/dbraw/zinc/70/48/14/1100704814.db2.gz NVXPAPBYEVDBEO-UHFFFAOYSA-N 0 0 349.397 2.679 10 5 EFBERN COc1ccc(CC(=O)NCc2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC001636299175 1100711880 /nfs/dbraw/zinc/71/18/80/1100711880.db2.gz PKOAHDXUGXZIOS-UHFFFAOYSA-N 0 0 341.323 2.604 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCCc2cccs2)cc1[N+](=O)[O-] ZINC000050699364 1100716807 /nfs/dbraw/zinc/71/68/07/1100716807.db2.gz PLAUQFPWZSJWSF-UHFFFAOYSA-N 0 0 325.777 2.864 10 5 EFBERN Cc1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cnn1C1CCOCC1 ZINC001636407290 1100716904 /nfs/dbraw/zinc/71/69/04/1100716904.db2.gz OGSSAYSZYUVGMA-UHFFFAOYSA-N 0 0 348.334 2.843 10 5 EFBERN O=C(N[C@H]1CCCn2nccc21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001636440891 1100719193 /nfs/dbraw/zinc/71/91/93/1100719193.db2.gz KPTBGORKCSRDBB-NSHDSACASA-N 0 0 325.328 2.538 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(Cl)n1C ZINC001636477311 1100720799 /nfs/dbraw/zinc/72/07/99/1100720799.db2.gz XZURRUDPNWVJIN-UHFFFAOYSA-N 0 0 340.792 2.634 10 5 EFBERN Cc1nocc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001636611248 1100730235 /nfs/dbraw/zinc/73/02/35/1100730235.db2.gz QIURBUFMWMSELL-UHFFFAOYSA-N 0 0 340.133 2.584 10 5 EFBERN CCO/C=C/C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001636818357 1100739685 /nfs/dbraw/zinc/73/96/85/1100739685.db2.gz UGPNGEIYDHOLMI-AATRIKPKSA-N 0 0 329.150 2.524 10 5 EFBERN Cc1[nH][nH]c(=O)c1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001636801370 1100738198 /nfs/dbraw/zinc/73/81/98/1100738198.db2.gz CJLDUEQYTMLMIJ-UHFFFAOYSA-N 0 0 331.115 2.891 10 5 EFBERN Nc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001636807748 1100738914 /nfs/dbraw/zinc/73/89/14/1100738914.db2.gz MFGUWADKFFCXQD-MRXNPFEDSA-N 0 0 345.330 2.530 10 5 EFBERN Cc1ncoc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001636868655 1100742765 /nfs/dbraw/zinc/74/27/65/1100742765.db2.gz UPGVTIPKWOSAME-UHFFFAOYSA-N 0 0 327.699 2.543 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)n1 ZINC001636876522 1100743430 /nfs/dbraw/zinc/74/34/30/1100743430.db2.gz KDQBAHFJLKVFDK-AWEZNQCLSA-N 0 0 349.774 2.805 10 5 EFBERN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001636912743 1100745277 /nfs/dbraw/zinc/74/52/77/1100745277.db2.gz OVPWGCKTXFUUMU-YPMHNXCESA-N 0 0 343.383 2.706 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1n[nH]cc1-c1ccccc1 ZINC001636977855 1100748679 /nfs/dbraw/zinc/74/86/79/1100748679.db2.gz MFMLDDJCXAXKIF-UHFFFAOYSA-N 0 0 340.343 2.519 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1nnc2n1CCCC2 ZINC001637029824 1100752664 /nfs/dbraw/zinc/75/26/64/1100752664.db2.gz UVKGIXPBBAPZJQ-UHFFFAOYSA-N 0 0 349.778 2.747 10 5 EFBERN CC(C)c1coc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC001637056434 1100754347 /nfs/dbraw/zinc/75/43/47/1100754347.db2.gz QZFGODRFTRGNLX-UHFFFAOYSA-N 0 0 333.329 2.963 10 5 EFBERN CSc1ncc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(=O)[nH]1 ZINC001637069239 1100755421 /nfs/dbraw/zinc/75/54/21/1100755421.db2.gz SFRKXAMCMYVKCP-UHFFFAOYSA-N 0 0 334.357 2.681 10 5 EFBERN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCCN(C)C1=O ZINC001637100072 1100756848 /nfs/dbraw/zinc/75/68/48/1100756848.db2.gz ZDCUUWQINCKZQT-ZDUSSCGKSA-N 0 0 348.403 2.612 10 5 EFBERN C[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC001637200825 1100763969 /nfs/dbraw/zinc/76/39/69/1100763969.db2.gz OWDGNZCBODMJNN-LLVKDONJSA-N 0 0 326.356 2.567 10 5 EFBERN CCOC(=O)Oc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001637200287 1100764500 /nfs/dbraw/zinc/76/45/00/1100764500.db2.gz JNHCBPPDDGZBPC-UHFFFAOYSA-N 0 0 345.311 2.965 10 5 EFBERN COc1cccc(C(F)(F)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001637200861 1100764508 /nfs/dbraw/zinc/76/45/08/1100764508.db2.gz PLWPPEGWJXLDQV-UHFFFAOYSA-N 0 0 337.282 2.916 10 5 EFBERN O=C(NCC(F)(F)C1(O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001637254891 1100767170 /nfs/dbraw/zinc/76/71/70/1100767170.db2.gz XCWSSCDJMDZMCP-UHFFFAOYSA-N 0 0 328.315 2.655 10 5 EFBERN Cc1n[nH]c(C(=O)N2CCCC[C@@H]2Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC001637268235 1100768169 /nfs/dbraw/zinc/76/81/69/1100768169.db2.gz HQEWGOXWTYTUSM-CYBMUJFWSA-N 0 0 344.371 2.569 10 5 EFBERN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001637280944 1100770715 /nfs/dbraw/zinc/77/07/15/1100770715.db2.gz JXODPACGTSCABB-MGPLVRAMSA-N 0 0 347.346 2.822 10 5 EFBERN Cc1cc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC001637312808 1100772416 /nfs/dbraw/zinc/77/24/16/1100772416.db2.gz VSPSWICSNREKEK-INIZCTEOSA-N 0 0 348.786 2.890 10 5 EFBERN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc([N+](=O)[O-])c[nH]1)CC2 ZINC001637334541 1100773093 /nfs/dbraw/zinc/77/30/93/1100773093.db2.gz SDHPVDWVFJYCKM-JTQLQIEISA-N 0 0 345.355 2.700 10 5 EFBERN COc1cccc2c1CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2 ZINC001637340275 1100774425 /nfs/dbraw/zinc/77/44/25/1100774425.db2.gz GSIFQVGIRRGGDO-LBPRGKRZSA-N 0 0 329.356 2.609 10 5 EFBERN C[C@@H](NC(=O)c1[nH]cnc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC001637365565 1100776293 /nfs/dbraw/zinc/77/62/93/1100776293.db2.gz HKPRUJKZDXHDIL-SSDOTTSWSA-N 0 0 328.250 2.828 10 5 EFBERN CCCc1[nH]nc(C(=O)Nc2cc(O)c(F)cc2F)c1[N+](=O)[O-] ZINC001637366631 1100776467 /nfs/dbraw/zinc/77/64/67/1100776467.db2.gz RTKXPDOXEWAYGQ-UHFFFAOYSA-N 0 0 326.259 2.507 10 5 EFBERN CC(C)[C@H]1CCCCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001637373933 1100777836 /nfs/dbraw/zinc/77/78/36/1100777836.db2.gz YFLNCNGLTCIKIX-MRXNPFEDSA-N 0 0 347.415 2.752 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2nccnc2C)c1 ZINC001637430243 1100782158 /nfs/dbraw/zinc/78/21/58/1100782158.db2.gz XQBDZHMJGDSTCA-ZDUSSCGKSA-N 0 0 344.371 2.648 10 5 EFBERN C[C@@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001637433483 1100782465 /nfs/dbraw/zinc/78/24/65/1100782465.db2.gz QEMQGIHIUOEXGI-MFKMUULPSA-N 0 0 326.780 2.553 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2nccnc2C)c1 ZINC001637430242 1100782536 /nfs/dbraw/zinc/78/25/36/1100782536.db2.gz XQBDZHMJGDSTCA-CYBMUJFWSA-N 0 0 344.371 2.648 10 5 EFBERN O=C(NOc1ccccc1F)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001637451281 1100783814 /nfs/dbraw/zinc/78/38/14/1100783814.db2.gz FUOCACBVDREXFN-UHFFFAOYSA-N 0 0 342.286 2.848 10 5 EFBERN Cc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2)cnn1C1CCOCC1 ZINC001637521631 1100788191 /nfs/dbraw/zinc/78/81/91/1100788191.db2.gz FJCBWDDZUBXLHZ-UHFFFAOYSA-N 0 0 344.371 2.632 10 5 EFBERN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC001637552379 1100789758 /nfs/dbraw/zinc/78/97/58/1100789758.db2.gz IUIDRIATJREMOU-SSDOTTSWSA-N 0 0 328.250 2.828 10 5 EFBERN COc1nccc2c(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cccc12 ZINC001637570195 1100790802 /nfs/dbraw/zinc/79/08/02/1100790802.db2.gz SXJBFLZHMFPPQX-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)[C@H](O)c1ccccc1 ZINC001637589354 1100792599 /nfs/dbraw/zinc/79/25/99/1100792599.db2.gz UXEHZGNXFHPEBD-GDBMZVCRSA-N 0 0 344.367 2.845 10 5 EFBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCc2ccccc2[C@@H]1CO ZINC001637629804 1100795644 /nfs/dbraw/zinc/79/56/44/1100795644.db2.gz KRBYJPZOMAVVHI-HNNXBMFYSA-N 0 0 346.770 2.980 10 5 EFBERN O=C(NC[C@@H](c1ccccc1)C1CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001637659241 1100797383 /nfs/dbraw/zinc/79/73/83/1100797383.db2.gz UJAHTPHBCCSCKH-NSHDSACASA-N 0 0 334.763 2.895 10 5 EFBERN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC001637761158 1100804351 /nfs/dbraw/zinc/80/43/51/1100804351.db2.gz RHLVBBSQMABODS-KZULUSFZSA-N 0 0 340.379 2.994 10 5 EFBERN CNc1c(C(=O)Nc2ccc([S@](C)(=N)=O)cc2)cccc1[N+](=O)[O-] ZINC001637799301 1100806725 /nfs/dbraw/zinc/80/67/25/1100806725.db2.gz PLGPCSLMRMYPOJ-XMMPIXPASA-N 0 0 348.384 2.924 10 5 EFBERN COc1ccc(C(=O)Nc2cccc3nc[nH]c(=O)c32)cc1[N+](=O)[O-] ZINC001637829999 1100808724 /nfs/dbraw/zinc/80/87/24/1100808724.db2.gz OYNJPHIXVTZCEA-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2cnccc2n1 ZINC001637906815 1100816322 /nfs/dbraw/zinc/81/63/22/1100816322.db2.gz MHEPZJWJSXNABQ-UHFFFAOYSA-N 0 0 334.295 2.667 10 5 EFBERN Nc1ncc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001637977309 1100823020 /nfs/dbraw/zinc/82/30/20/1100823020.db2.gz BLULSUVFMBFCLT-HNNXBMFYSA-N 0 0 338.367 2.939 10 5 EFBERN CCn1ccc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001638093175 1100831706 /nfs/dbraw/zinc/83/17/06/1100831706.db2.gz RHRGYVBWEFYPOS-UHFFFAOYSA-N 0 0 326.715 2.534 10 5 EFBERN O=C(Nc1nnc(C2CCC2)[nH]1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001638081318 1100831926 /nfs/dbraw/zinc/83/19/26/1100831926.db2.gz MVHFUTSICWEUMY-CHWSQXEVSA-N 0 0 327.344 2.723 10 5 EFBERN Cc1noc(C)c1-c1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)s1 ZINC001638123309 1100835112 /nfs/dbraw/zinc/83/51/12/1100835112.db2.gz OFJDAOOPAGQHEI-UHFFFAOYSA-N 0 0 348.344 2.607 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc2c1OCC[C@@H]2O ZINC001638172973 1100839264 /nfs/dbraw/zinc/83/92/64/1100839264.db2.gz NGWHLOXVUDLOHU-AWEZNQCLSA-N 0 0 346.314 2.731 10 5 EFBERN O=C(NCc1nccc(C(F)F)n1)c1cccc([N+](=O)[O-])c1Cl ZINC001638178148 1100839572 /nfs/dbraw/zinc/83/95/72/1100839572.db2.gz BURVTWLUFOLKEY-UHFFFAOYSA-N 0 0 342.689 2.906 10 5 EFBERN COC(=O)c1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)nc1 ZINC001638230469 1100842427 /nfs/dbraw/zinc/84/24/27/1100842427.db2.gz GHABOJWGEZVHMW-UHFFFAOYSA-N 0 0 329.312 2.646 10 5 EFBERN CCOC(=O)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)C(C)C ZINC001638269446 1100845424 /nfs/dbraw/zinc/84/54/24/1100845424.db2.gz YFCPKIDCCYDTFR-CQSZACIVSA-N 0 0 338.360 2.767 10 5 EFBERN COc1cc(C(=O)NOCc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC001638322695 1100849344 /nfs/dbraw/zinc/84/93/44/1100849344.db2.gz HBGSKEJJBIHGME-UHFFFAOYSA-N 0 0 338.266 2.743 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001638356787 1100850939 /nfs/dbraw/zinc/85/09/39/1100850939.db2.gz IGNHQWVMQQYEAA-WBMJQRKESA-N 0 0 335.404 2.896 10 5 EFBERN C[C@@H](NC(=O)NC[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001638360106 1100851348 /nfs/dbraw/zinc/85/13/48/1100851348.db2.gz MARKBRJYGNPJTR-CXAGYDPISA-N 0 0 343.383 2.559 10 5 EFBERN Nc1ncc(C(=O)Nc2cc(-c3ccccc3)ns2)cc1[N+](=O)[O-] ZINC001638389790 1100854990 /nfs/dbraw/zinc/85/49/90/1100854990.db2.gz AAGLLGHIBFMZCN-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c2ccccc21 ZINC001638464705 1100862692 /nfs/dbraw/zinc/86/26/92/1100862692.db2.gz XSOFWDGFEGQNCE-CQSZACIVSA-N 0 0 327.340 2.848 10 5 EFBERN O=C(NCc1cnc(Cl)cn1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001638544249 1100866897 /nfs/dbraw/zinc/86/68/97/1100866897.db2.gz SJSMCWHFIXLJEY-UHFFFAOYSA-N 0 0 343.730 2.516 10 5 EFBERN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001638557510 1100869035 /nfs/dbraw/zinc/86/90/35/1100869035.db2.gz BDUNQKTTYCFOTC-QMMMGPOBSA-N 0 0 327.344 2.907 10 5 EFBERN CCc1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)n[nH]1 ZINC001638660159 1100876658 /nfs/dbraw/zinc/87/66/58/1100876658.db2.gz VVXXTKZVSGYETA-UHFFFAOYSA-N 0 0 327.703 2.507 10 5 EFBERN CCc1csc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n1 ZINC001638681655 1100878553 /nfs/dbraw/zinc/87/85/53/1100878553.db2.gz FKSANSITCIYWJC-QMMMGPOBSA-N 0 0 337.405 2.951 10 5 EFBERN C[C@H](CNC(=O)N[C@@H](CO)CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC001638708188 1100880264 /nfs/dbraw/zinc/88/02/64/1100880264.db2.gz XIAJOTIGLVSIBW-TZMCWYRMSA-N 0 0 335.404 2.549 10 5 EFBERN CC[C@@H](CNc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001638715296 1100880800 /nfs/dbraw/zinc/88/08/00/1100880800.db2.gz ZGGWRVCWPSLVQI-ZDUSSCGKSA-N 0 0 328.372 2.798 10 5 EFBERN Cc1cc(C(=O)NC[C@@](C)(O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC001638721145 1100881188 /nfs/dbraw/zinc/88/11/88/1100881188.db2.gz IOZJDRZLFLYKHY-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN O=C(NOCc1ccccn1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001638725305 1100882661 /nfs/dbraw/zinc/88/26/61/1100882661.db2.gz SHZSZQBPBPSMMF-UHFFFAOYSA-N 0 0 325.683 2.644 10 5 EFBERN C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001638741541 1100883538 /nfs/dbraw/zinc/88/35/38/1100883538.db2.gz MYTDVHOIFPEHJJ-XPTSAGLGSA-N 0 0 335.747 2.554 10 5 EFBERN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)sc2n1 ZINC001638766609 1100885731 /nfs/dbraw/zinc/88/57/31/1100885731.db2.gz VYLMJBKUAXMMFR-UHFFFAOYSA-N 0 0 347.331 2.882 10 5 EFBERN C[C@H](C(=O)N1CCC[C@H](c2ncon2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001638827004 1100888057 /nfs/dbraw/zinc/88/80/57/1100888057.db2.gz REBMONVIMNXASQ-QWRGUYRKSA-N 0 0 348.334 2.627 10 5 EFBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c2ncccc12 ZINC001638844292 1100890191 /nfs/dbraw/zinc/89/01/91/1100890191.db2.gz BORCDFDOOZCZPB-UHFFFAOYSA-N 0 0 338.323 2.986 10 5 EFBERN Cc1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)c1[N+](=O)[O-] ZINC001638836267 1100890604 /nfs/dbraw/zinc/89/06/04/1100890604.db2.gz JTAQIRKLCWKYOJ-UHFFFAOYSA-N 0 0 340.295 2.761 10 5 EFBERN Cc1noc(CCCC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001638851710 1100891709 /nfs/dbraw/zinc/89/17/09/1100891709.db2.gz KVJHUMDEGBGQIN-UHFFFAOYSA-N 0 0 341.327 2.796 10 5 EFBERN Cc1nc(C)c(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[nH]1 ZINC001638892690 1100896422 /nfs/dbraw/zinc/89/64/22/1100896422.db2.gz HMVKCOSCTYHSMZ-UHFFFAOYSA-N 0 0 342.277 2.884 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001638896051 1100896497 /nfs/dbraw/zinc/89/64/97/1100896497.db2.gz JWBRAJVMPUYTPQ-ZDUSSCGKSA-N 0 0 327.340 2.969 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001638895689 1100896606 /nfs/dbraw/zinc/89/66/06/1100896606.db2.gz ASGKIJHAWYEFOK-UHFFFAOYSA-N 0 0 346.318 2.986 10 5 EFBERN CC(C)(C(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001639018751 1100904479 /nfs/dbraw/zinc/90/44/79/1100904479.db2.gz BIXACFOIBDBQJG-LSDHHAIUSA-N 0 0 332.400 2.756 10 5 EFBERN CCO[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001639015942 1100904864 /nfs/dbraw/zinc/90/48/64/1100904864.db2.gz PVYQQXHGBJXHLZ-ZYHUDNBSSA-N 0 0 327.768 2.518 10 5 EFBERN CSc1ccc(C(=O)N2CC(C)(C)[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC001639015756 1100904917 /nfs/dbraw/zinc/90/49/17/1100904917.db2.gz JQMWPOWQZMINQI-WCQYABFASA-N 0 0 336.413 2.814 10 5 EFBERN CC(C)(C(=O)N1CC(C)(C)[C@H]2COC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001639019219 1100905002 /nfs/dbraw/zinc/90/50/02/1100905002.db2.gz KXEQGFBHRULHKU-DZGCQCFKSA-N 0 0 332.400 2.756 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC001639123610 1100914417 /nfs/dbraw/zinc/91/44/17/1100914417.db2.gz KHYDPMGVOCKKIZ-ZDUSSCGKSA-N 0 0 334.307 2.869 10 5 EFBERN C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ncon1 ZINC001639140870 1100918174 /nfs/dbraw/zinc/91/81/74/1100918174.db2.gz XBENLVDRYURBQA-JTQLQIEISA-N 0 0 332.360 2.809 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](CCO)c1ccco1 ZINC001639217731 1100926417 /nfs/dbraw/zinc/92/64/17/1100926417.db2.gz BTQQAQWGYRYSNU-LBPRGKRZSA-N 0 0 338.747 2.624 10 5 EFBERN O=C(CCc1cccc([N+](=O)[O-])c1)NCC(=O)c1cc(F)cc(F)c1 ZINC001639225639 1100927546 /nfs/dbraw/zinc/92/75/46/1100927546.db2.gz CCOKEQDQGANMDR-UHFFFAOYSA-N 0 0 348.305 2.805 10 5 EFBERN O=C(Nc1cccc(CNc2ccncc2[N+](=O)[O-])c1)c1ccco1 ZINC001639261052 1100931687 /nfs/dbraw/zinc/93/16/87/1100931687.db2.gz UUWQTKQKWKZRMR-UHFFFAOYSA-N 0 0 338.323 2.869 10 5 EFBERN Cc1ccc([C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC001639285317 1100934215 /nfs/dbraw/zinc/93/42/15/1100934215.db2.gz SXEXOKDEOUOYAY-SNVBAGLBSA-N 0 0 344.249 2.507 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001639300302 1100936184 /nfs/dbraw/zinc/93/61/84/1100936184.db2.gz IJQWDCNKXZPDLN-UHFFFAOYSA-N 0 0 346.412 2.849 10 5 EFBERN COCCOc1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1Cl ZINC001639325531 1100938701 /nfs/dbraw/zinc/93/87/01/1100938701.db2.gz ARCZOSCDGHVQBM-UHFFFAOYSA-N 0 0 326.740 2.751 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NCC=C(Cl)Cl)cc1[N+](=O)[O-] ZINC001639334937 1100939791 /nfs/dbraw/zinc/93/97/91/1100939791.db2.gz HDTZBPMEARNALL-UHFFFAOYSA-N 0 0 334.115 2.860 10 5 EFBERN COC(=O)CSCc1cccc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001639433781 1100947525 /nfs/dbraw/zinc/94/75/25/1100947525.db2.gz FSXUBWAAUADFSD-UHFFFAOYSA-N 0 0 349.368 2.845 10 5 EFBERN CC(C)c1nc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH]1 ZINC001639427566 1100947661 /nfs/dbraw/zinc/94/76/61/1100947661.db2.gz JXTJVRUOMIZNOL-UHFFFAOYSA-N 0 0 327.344 2.853 10 5 EFBERN COc1ccc(-c2nnc(CNc3ncc([N+](=O)[O-])cc3F)[nH]2)cc1 ZINC001639446243 1100949114 /nfs/dbraw/zinc/94/91/14/1100949114.db2.gz BQIMXQBOKKQADI-UHFFFAOYSA-N 0 0 344.306 2.535 10 5 EFBERN O=C(NCCCc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])n[nH]1 ZINC001639489523 1100955462 /nfs/dbraw/zinc/95/54/62/1100955462.db2.gz HQZJSPUVVCXYHX-UHFFFAOYSA-N 0 0 343.170 2.987 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cnccn2)cc1SC ZINC001639567154 1100961873 /nfs/dbraw/zinc/96/18/73/1100961873.db2.gz BOXMRFYAVNYCJN-SECBINFHSA-N 0 0 348.384 2.606 10 5 EFBERN C[C@H]1[C@H](CO)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001639620234 1100967607 /nfs/dbraw/zinc/96/76/07/1100967607.db2.gz GVIJIRDQGVWEKK-JSGCOSHPSA-N 0 0 336.391 2.524 10 5 EFBERN C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccccc1[N+](=O)[O-] ZINC001639633383 1100968580 /nfs/dbraw/zinc/96/85/80/1100968580.db2.gz DGXRBTAMHVKSPU-NEPJUHHUSA-N 0 0 342.399 2.976 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccn2ccnc2c1 ZINC001639630713 1100968996 /nfs/dbraw/zinc/96/89/96/1100968996.db2.gz KVGHSVDZCKTILA-UHFFFAOYSA-N 0 0 337.314 2.964 10 5 EFBERN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CCCS3)c2c1 ZINC001639647123 1100970420 /nfs/dbraw/zinc/97/04/20/1100970420.db2.gz YRJHVRWWZYZLPM-JTQLQIEISA-N 0 0 334.357 2.781 10 5 EFBERN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)n[nH]1 ZINC001639645719 1100970495 /nfs/dbraw/zinc/97/04/95/1100970495.db2.gz BMFXIJRGHFRFLI-SNVBAGLBSA-N 0 0 343.387 2.562 10 5 EFBERN O=C1CN(c2ncc([N+](=O)[O-])c3ccccc32)CN1Cc1ccccc1 ZINC001639655546 1100971235 /nfs/dbraw/zinc/97/12/35/1100971235.db2.gz JSCBCTWEQIXGLJ-UHFFFAOYSA-N 0 0 348.362 2.949 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1(CO)CC2(CCC2)C1 ZINC001639695446 1100974946 /nfs/dbraw/zinc/97/49/46/1100974946.db2.gz FYYAXZJCPBTSTR-UHFFFAOYSA-N 0 0 336.363 2.715 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@](C)(O)c1ccccc1 ZINC001639713034 1100976930 /nfs/dbraw/zinc/97/69/30/1100976930.db2.gz BUZKINRRLFHOAW-PIGZYNQJSA-N 0 0 332.331 2.760 10 5 EFBERN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001639721355 1100977257 /nfs/dbraw/zinc/97/72/57/1100977257.db2.gz UXYDJZVQYVZSKL-ARFHVFGLSA-N 0 0 346.770 2.954 10 5 EFBERN C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC001639714899 1100977305 /nfs/dbraw/zinc/97/73/05/1100977305.db2.gz RQEUXKRNDUQXIY-GTNSWQLSSA-N 0 0 332.331 2.760 10 5 EFBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@](C)(O)c1ccccc1 ZINC001639713031 1100977449 /nfs/dbraw/zinc/97/74/49/1100977449.db2.gz BUZKINRRLFHOAW-APPDUMDISA-N 0 0 332.331 2.760 10 5 EFBERN C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])c1ncn(C)n1 ZINC001639785147 1100983450 /nfs/dbraw/zinc/98/34/50/1100983450.db2.gz RHGONYVDTKQEJB-MRVPVSSYSA-N 0 0 332.751 2.520 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC001639848617 1100988481 /nfs/dbraw/zinc/98/84/81/1100988481.db2.gz AGBKKEBGCDVMJB-OIISXLGYSA-N 0 0 347.415 2.723 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001639883614 1100992326 /nfs/dbraw/zinc/99/23/26/1100992326.db2.gz KZHUCOZFLPZUCA-JTQLQIEISA-N 0 0 329.360 2.668 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001639883015 1100992604 /nfs/dbraw/zinc/99/26/04/1100992604.db2.gz CQLKCEVBXBOPPM-NSHDSACASA-N 0 0 345.330 2.965 10 5 EFBERN COc1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)nn1 ZINC001639917101 1100995878 /nfs/dbraw/zinc/99/58/78/1100995878.db2.gz YQVRTPFYWMYAKF-UHFFFAOYSA-N 0 0 326.259 2.607 10 5 EFBERN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1CCn2ccnc21 ZINC001639946007 1100996664 /nfs/dbraw/zinc/99/66/64/1100996664.db2.gz PBDDZVRJHFPVIY-NSHDSACASA-N 0 0 329.747 2.972 10 5 EFBERN COC[C@@]1(C)CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001639945941 1100997112 /nfs/dbraw/zinc/99/71/12/1100997112.db2.gz NLXWJCWMUQUTFY-INIZCTEOSA-N 0 0 346.343 2.914 10 5 EFBERN Cc1ccc(NC(=O)[C@H](C)c2ccc3c(c2)OCO3)c(N)c1[N+](=O)[O-] ZINC001639997248 1101000325 /nfs/dbraw/zinc/00/03/25/1101000325.db2.gz GCOJORMJVQEFQA-SNVBAGLBSA-N 0 0 343.339 2.956 10 5 EFBERN COc1cccc([C@H](OC)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001639997705 1101001954 /nfs/dbraw/zinc/00/19/54/1101001954.db2.gz ZXDMWMLKJVFEPC-INIZCTEOSA-N 0 0 345.355 2.820 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001640004602 1101003085 /nfs/dbraw/zinc/00/30/85/1101003085.db2.gz HISCIKFGOIGEQA-WDEREUQCSA-N 0 0 326.299 2.781 10 5 EFBERN O=C(Nc1cnc2ccccn12)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001640011672 1101003638 /nfs/dbraw/zinc/00/36/38/1101003638.db2.gz NWFKCVDYPQZSQN-UHFFFAOYSA-N 0 0 348.322 2.885 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H](CO)c2ccc(F)cc2)s1 ZINC001640029597 1101007220 /nfs/dbraw/zinc/00/72/20/1101007220.db2.gz SLMANUOZHRSCGA-JTQLQIEISA-N 0 0 348.359 2.927 10 5 EFBERN Cc1cccc(CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001640053374 1101009334 /nfs/dbraw/zinc/00/93/34/1101009334.db2.gz PQNSHLGFLAPQEK-UHFFFAOYSA-N 0 0 333.775 2.853 10 5 EFBERN Cc1cccc2c1O[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C2 ZINC001640048715 1101009667 /nfs/dbraw/zinc/00/96/67/1101009667.db2.gz CNUJFGXIUMBYMY-OAHLLOKOSA-N 0 0 348.305 2.801 10 5 EFBERN O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1ccc([N+](=O)[O-])[nH]1 ZINC001640064951 1101010092 /nfs/dbraw/zinc/01/00/92/1101010092.db2.gz UBSOFFVWIJKMQX-ZDUSSCGKSA-N 0 0 326.312 2.625 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)C(=O)Nc1ncccc1O ZINC001640085983 1101012102 /nfs/dbraw/zinc/01/21/02/1101012102.db2.gz BQSCEMRIJTZPEV-UWVGGRQHSA-N 0 0 348.334 2.910 10 5 EFBERN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@H](O)c1ccccc1 ZINC001640087904 1101012968 /nfs/dbraw/zinc/01/29/68/1101012968.db2.gz MRBHHDOEISYWBO-DOTOQJQBSA-N 0 0 343.383 2.930 10 5 EFBERN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@H](O)c1ccccc1 ZINC001640087905 1101012985 /nfs/dbraw/zinc/01/29/85/1101012985.db2.gz MRBHHDOEISYWBO-NVXWUHKLSA-N 0 0 343.383 2.930 10 5 EFBERN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1c1c([N+](=O)[O-])ncn1C ZINC001640177516 1101019887 /nfs/dbraw/zinc/01/98/87/1101019887.db2.gz CHHOJTPDBLVOHC-GXFFZTMASA-N 0 0 336.779 2.948 10 5 EFBERN O=[N+]([O-])c1cc(F)ccc1N[C@H](CO)[C@@H](O)c1ccc(Cl)cc1 ZINC001640206241 1101022227 /nfs/dbraw/zinc/02/22/27/1101022227.db2.gz YJJZTKMFBLFRCQ-HIFRSBDPSA-N 0 0 340.738 2.894 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC(c3ccncn3)CC2)c1 ZINC000840356069 1101022849 /nfs/dbraw/zinc/02/28/49/1101022849.db2.gz YWAAYFSLCBGNRZ-UHFFFAOYSA-N 0 0 332.335 2.917 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@@H](CC2CC2)C(=O)OC)c([N+](=O)[O-])c1 ZINC000840361834 1101025050 /nfs/dbraw/zinc/02/50/50/1101025050.db2.gz ZWNSFVAXCZCUCC-QPBFKRLHSA-N 0 0 348.355 2.535 10 5 EFBERN COC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCCCCC1 ZINC001640223715 1101025156 /nfs/dbraw/zinc/02/51/56/1101025156.db2.gz XLIZKWYIFSHQOQ-UHFFFAOYSA-N 0 0 335.404 2.955 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H](CC2CC2)C(=O)OC)c([N+](=O)[O-])c1 ZINC000840361820 1101025483 /nfs/dbraw/zinc/02/54/83/1101025483.db2.gz ZWNSFVAXCZCUCC-IQCBXXCUSA-N 0 0 348.355 2.535 10 5 EFBERN Cc1nc2ccccn2c1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001640250508 1101029853 /nfs/dbraw/zinc/02/98/53/1101029853.db2.gz QZQUYTNQEWFILR-UHFFFAOYSA-N 0 0 349.350 2.962 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001640279617 1101031461 /nfs/dbraw/zinc/03/14/61/1101031461.db2.gz COYHKWRXXSMXIY-UHFFFAOYSA-N 0 0 340.343 2.519 10 5 EFBERN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@H]1F ZINC001640276514 1101031623 /nfs/dbraw/zinc/03/16/23/1101031623.db2.gz REEKZKIOOMGXQF-QWHCGFSZSA-N 0 0 348.334 2.740 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CC2(CO1)CCOCC2 ZINC001640292457 1101032126 /nfs/dbraw/zinc/03/21/26/1101032126.db2.gz BYMPOMSFSNFDRI-LLVKDONJSA-N 0 0 337.332 2.501 10 5 EFBERN COc1ccc(C2CC2)cc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001640346658 1101036950 /nfs/dbraw/zinc/03/69/50/1101036950.db2.gz CLEAUMZMXXUUHV-UHFFFAOYSA-N 0 0 342.355 2.587 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC001640363251 1101038851 /nfs/dbraw/zinc/03/88/51/1101038851.db2.gz GBXWWALBYCLOQH-HZPDHXFCSA-N 0 0 329.356 2.651 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC001640363250 1101039552 /nfs/dbraw/zinc/03/95/52/1101039552.db2.gz GBXWWALBYCLOQH-HOTGVXAUSA-N 0 0 329.356 2.651 10 5 EFBERN CCc1n[nH]c(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC001640388260 1101041633 /nfs/dbraw/zinc/04/16/33/1101041633.db2.gz XNRMXCCCBHJMLC-OAHLLOKOSA-N 0 0 341.371 2.643 10 5 EFBERN CCN(C(=O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001640411800 1101044407 /nfs/dbraw/zinc/04/44/07/1101044407.db2.gz FGGXZQNBDQDILR-UHFFFAOYSA-N 0 0 344.327 2.968 10 5 EFBERN CCC(=O)c1ccc(NCc2noc3c2COCC3)c([N+](=O)[O-])c1 ZINC001640444517 1101048279 /nfs/dbraw/zinc/04/82/79/1101048279.db2.gz GZQMGPWRZCEJTK-UHFFFAOYSA-N 0 0 331.328 2.860 10 5 EFBERN CCc1ccc(C(=O)N2NC(=O)C[C@]23CCCC[C@H]3C)cc1[N+](=O)[O-] ZINC001640448719 1101048453 /nfs/dbraw/zinc/04/84/53/1101048453.db2.gz UVGMXPCEFMUCPG-XIKOKIGWSA-N 0 0 345.399 2.983 10 5 EFBERN C[S@](=O)(=NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001640466998 1101050191 /nfs/dbraw/zinc/05/01/91/1101050191.db2.gz MLXYDCPXSOIFAF-HSZRJFAPSA-N 0 0 337.332 2.613 10 5 EFBERN CCC(=O)N1CCc2ccc(Nc3ncc([N+](=O)[O-])c(C)n3)cc21 ZINC001640465094 1101050659 /nfs/dbraw/zinc/05/06/59/1101050659.db2.gz OZRLBTFWQYNRGR-UHFFFAOYSA-N 0 0 327.344 2.736 10 5 EFBERN COC(=O)c1cnc(NCC[C@H]2CCC(C)(C)CO2)c([N+](=O)[O-])c1 ZINC001640475588 1101051320 /nfs/dbraw/zinc/05/13/20/1101051320.db2.gz RRSSXTZOFXIJRF-GFCCVEGCSA-N 0 0 337.376 2.784 10 5 EFBERN CC1(C)C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC001640481826 1101051609 /nfs/dbraw/zinc/05/16/09/1101051609.db2.gz YWOABRCAFABSPL-NSHDSACASA-N 0 0 349.412 2.911 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC/C=C\Cl ZINC001640502802 1101053322 /nfs/dbraw/zinc/05/33/22/1101053322.db2.gz RNYJGNFERGBMCO-RJRFIUFISA-N 0 0 326.708 2.756 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC/C=C/Cl ZINC001640502801 1101053471 /nfs/dbraw/zinc/05/34/71/1101053471.db2.gz RNYJGNFERGBMCO-DAFODLJHSA-N 0 0 326.708 2.756 10 5 EFBERN CCOc1cccc(N2CCC(Nc3ncc([N+](=O)[O-])s3)CC2)n1 ZINC001640497566 1101053543 /nfs/dbraw/zinc/05/35/43/1101053543.db2.gz VYXVLZVPIIMRSJ-UHFFFAOYSA-N 0 0 349.416 2.926 10 5 EFBERN COC(=O)c1cnc(NCc2nc(C(C)(C)C)co2)c([N+](=O)[O-])c1 ZINC001640517532 1101054600 /nfs/dbraw/zinc/05/46/00/1101054600.db2.gz NJMTVAAYOSMLJX-UHFFFAOYSA-N 0 0 334.332 2.674 10 5 EFBERN Cc1cc(NC(=O)c2ccc3c(c2)N(C)CCO3)cc([N+](=O)[O-])c1 ZINC001640646807 1101068365 /nfs/dbraw/zinc/06/83/65/1101068365.db2.gz JBFMVGAFOAWKTC-UHFFFAOYSA-N 0 0 327.340 2.984 10 5 EFBERN COc1cc(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc(OC)c1O ZINC001640647387 1101068800 /nfs/dbraw/zinc/06/88/00/1101068800.db2.gz ZTCSZQJQUULORZ-UHFFFAOYSA-N 0 0 332.312 2.878 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@](C)(O)c1ccccc1 ZINC001640672159 1101070674 /nfs/dbraw/zinc/07/06/74/1101070674.db2.gz SGXCHLSTMMMOHW-DIFFPNOSSA-N 0 0 332.331 2.760 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nccc2cc[nH]c21 ZINC001640683754 1101071300 /nfs/dbraw/zinc/07/13/00/1101071300.db2.gz CAPNJPYFLNZYRZ-UHFFFAOYSA-N 0 0 325.328 2.912 10 5 EFBERN CCc1ccc(-c2nc(SCc3cn(C)nc3[N+](=O)[O-])n[nH]2)cc1 ZINC001640696525 1101072397 /nfs/dbraw/zinc/07/23/97/1101072397.db2.gz GXCHPINIOFXQLS-UHFFFAOYSA-N 0 0 344.400 2.968 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1csc([N+](=O)[O-])c1 ZINC001640724714 1101074382 /nfs/dbraw/zinc/07/43/82/1101074382.db2.gz QQSSOQVAFGVWMB-UHFFFAOYSA-N 0 0 342.354 2.847 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cccc(Cl)n1 ZINC001640724683 1101074427 /nfs/dbraw/zinc/07/44/27/1101074427.db2.gz PIIGZQCAXGAFPW-UHFFFAOYSA-N 0 0 326.761 2.926 10 5 EFBERN Cc1cccc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)c1[N+](=O)[O-] ZINC001640725443 1101074457 /nfs/dbraw/zinc/07/44/57/1101074457.db2.gz OPXFLKIVRMYVOV-IAQYHMDHSA-N 0 0 332.331 2.894 10 5 EFBERN Cc1cccc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)c1[N+](=O)[O-] ZINC001640725447 1101074588 /nfs/dbraw/zinc/07/45/88/1101074588.db2.gz OPXFLKIVRMYVOV-XHDPSFHLSA-N 0 0 332.331 2.894 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(OCc2nc3c(o2)CCCC3)c1 ZINC001640854846 1101084422 /nfs/dbraw/zinc/08/44/22/1101084422.db2.gz YHEXSULQHYQXLY-UHFFFAOYSA-N 0 0 332.312 2.827 10 5 EFBERN Cn1ccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC001640913979 1101087995 /nfs/dbraw/zinc/08/79/95/1101087995.db2.gz PIAUILGIWQGBPK-SNVBAGLBSA-N 0 0 346.240 2.501 10 5 EFBERN Cc1c(OS(=O)(=O)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000056118008 1101090129 /nfs/dbraw/zinc/09/01/29/1101090129.db2.gz AQFYTTWFKNVPBN-UHFFFAOYSA-N 0 0 329.280 2.949 10 5 EFBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001640983791 1101093211 /nfs/dbraw/zinc/09/32/11/1101093211.db2.gz DKCQUNDWXFASKI-UHFFFAOYSA-N 0 0 341.154 2.823 10 5 EFBERN CC1(C)CCC[C@@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)O1 ZINC001641008266 1101094655 /nfs/dbraw/zinc/09/46/55/1101094655.db2.gz LHNOQOWCRSIVQX-ZDUSSCGKSA-N 0 0 333.344 2.759 10 5 EFBERN Cc1cc(=O)n(Cc2cc(F)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC001640999340 1101095088 /nfs/dbraw/zinc/09/50/88/1101095088.db2.gz SGSGRBPVAORWPV-UHFFFAOYSA-N 0 0 328.246 2.854 10 5 EFBERN COc1ccc(C)cc1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001641076738 1101099952 /nfs/dbraw/zinc/09/99/52/1101099952.db2.gz ZANCKPFXLKKBBZ-UHFFFAOYSA-N 0 0 341.323 2.777 10 5 EFBERN Cc1cc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)cc(Cl)n1 ZINC001641118027 1101103992 /nfs/dbraw/zinc/10/39/92/1101103992.db2.gz CTBJZPIGDMXQPG-UHFFFAOYSA-N 0 0 336.760 2.771 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1Cl ZINC001641154243 1101107779 /nfs/dbraw/zinc/10/77/79/1101107779.db2.gz XOXXYOBFWXJBHB-UHFFFAOYSA-N 0 0 338.726 2.624 10 5 EFBERN O=C(N[C@@H](c1ccccc1)C(F)F)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641225723 1101116028 /nfs/dbraw/zinc/11/60/28/1101116028.db2.gz WNSWAAQNFAXRIC-KBPBESRZSA-N 0 0 336.294 2.751 10 5 EFBERN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C12CCCCC2 ZINC001641277113 1101120953 /nfs/dbraw/zinc/12/09/53/1101120953.db2.gz UPWPZQVUULMODQ-UONOGXRCSA-N 0 0 349.387 2.553 10 5 EFBERN CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000840538912 1101124877 /nfs/dbraw/zinc/12/48/77/1101124877.db2.gz TWYQBAXGEAWXAK-UHFFFAOYSA-N 0 0 334.372 2.823 10 5 EFBERN C/C(=C\C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000840540846 1101128307 /nfs/dbraw/zinc/12/83/07/1101128307.db2.gz DMANEFSYYAPAQP-CUTVHNCCSA-N 0 0 340.326 2.663 10 5 EFBERN Cc1ccc(OCc2nc(Cn3ncc([N+](=O)[O-])n3)cs2)cc1 ZINC001641354457 1101128711 /nfs/dbraw/zinc/12/87/11/1101128711.db2.gz AMNJXJKQIRSLEE-UHFFFAOYSA-N 0 0 331.357 2.579 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOc2ccncc21 ZINC001641411101 1101133348 /nfs/dbraw/zinc/13/33/48/1101133348.db2.gz IDQVEANOVSPBCG-UHFFFAOYSA-N 0 0 333.731 2.611 10 5 EFBERN C/C(=C/C(=O)N(C[C@H]1CCC(=O)N1)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000840559994 1101135974 /nfs/dbraw/zinc/13/59/74/1101135974.db2.gz ONEKOFRWJVAMGN-VSKPTYQZSA-N 0 0 345.399 2.514 10 5 EFBERN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl)c1cscn1 ZINC001641441031 1101136184 /nfs/dbraw/zinc/13/61/84/1101136184.db2.gz DDBFUNCABSFESN-UHFFFAOYSA-N 0 0 349.759 2.846 10 5 EFBERN C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001641435527 1101136244 /nfs/dbraw/zinc/13/62/44/1101136244.db2.gz RAVVSDYHKDQSQY-SSDOTTSWSA-N 0 0 339.149 2.571 10 5 EFBERN CC(C)c1ccc(C(=O)N[C@H](CO)c2ccccn2)cc1[N+](=O)[O-] ZINC001641451085 1101137185 /nfs/dbraw/zinc/13/71/85/1101137185.db2.gz LPVAULARSHNZLC-OAHLLOKOSA-N 0 0 329.356 2.577 10 5 EFBERN O=C(OCc1cccc([N+](=O)[O-])c1Br)[C@@H](O)C1CCC1 ZINC000840581743 1101149497 /nfs/dbraw/zinc/14/94/97/1101149497.db2.gz FSEKRTLSDQSUSL-LBPRGKRZSA-N 0 0 344.161 2.562 10 5 EFBERN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC001641590183 1101149586 /nfs/dbraw/zinc/14/95/86/1101149586.db2.gz IUIDRIATJREMOU-ZETCQYMHSA-N 0 0 328.250 2.828 10 5 EFBERN O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001641663367 1101154392 /nfs/dbraw/zinc/15/43/92/1101154392.db2.gz ORHOYLGBIRDZOB-HNNXBMFYSA-N 0 0 325.324 2.798 10 5 EFBERN COCC(C)(C)CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000840595398 1101156059 /nfs/dbraw/zinc/15/60/59/1101156059.db2.gz QLABYHUXZOHUDJ-UHFFFAOYSA-N 0 0 349.343 2.751 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc(F)cnc1Cl ZINC001641733846 1101161108 /nfs/dbraw/zinc/16/11/08/1101161108.db2.gz LVUAARDUQQDBLT-UHFFFAOYSA-N 0 0 338.726 2.511 10 5 EFBERN O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001641787587 1101164702 /nfs/dbraw/zinc/16/47/02/1101164702.db2.gz JRKJVBQBWDZWQL-CYBMUJFWSA-N 0 0 333.731 2.766 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC001641832017 1101168358 /nfs/dbraw/zinc/16/83/58/1101168358.db2.gz HSWMZVQTIITJPC-OAHLLOKOSA-N 0 0 348.399 2.918 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC001641832016 1101168389 /nfs/dbraw/zinc/16/83/89/1101168389.db2.gz HSWMZVQTIITJPC-HNNXBMFYSA-N 0 0 348.399 2.918 10 5 EFBERN COC(=O)c1ccc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC001641841034 1101169145 /nfs/dbraw/zinc/16/91/45/1101169145.db2.gz OFIKXLNNUJDPOT-UHFFFAOYSA-N 0 0 343.339 2.693 10 5 EFBERN O=C(NCC(F)(F)c1ccccc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641910641 1101174912 /nfs/dbraw/zinc/17/49/12/1101174912.db2.gz QYFIBLYDSRVRQQ-CQSZACIVSA-N 0 0 336.294 2.536 10 5 EFBERN Cc1cn2ccnc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c2n1 ZINC001641943896 1101177306 /nfs/dbraw/zinc/17/73/06/1101177306.db2.gz UBENLQYSSJXJCW-UHFFFAOYSA-N 0 0 325.328 2.815 10 5 EFBERN Cc1cc2nnc(Sc3c([N+](=O)[O-])cnn3C)n2c2ccccc12 ZINC001641950334 1101178570 /nfs/dbraw/zinc/17/85/70/1101178570.db2.gz XWIFOJCSWZWOGQ-UHFFFAOYSA-N 0 0 340.368 2.984 10 5 EFBERN O=[N+]([O-])c1cccc2c(NC[C@H](CO)Cc3ccco3)nccc21 ZINC001642033163 1101183936 /nfs/dbraw/zinc/18/39/36/1101183936.db2.gz VBKMLIMPZNVBHK-GFCCVEGCSA-N 0 0 327.340 2.999 10 5 EFBERN Nc1c(Cl)cc(C(=O)Nc2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC001642039351 1101184092 /nfs/dbraw/zinc/18/40/92/1101184092.db2.gz XCSPSAWZNLHAMW-UHFFFAOYSA-N 0 0 331.719 2.730 10 5 EFBERN CC(=O)c1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(C)nc1C ZINC001642045314 1101185170 /nfs/dbraw/zinc/18/51/70/1101185170.db2.gz OLKCCVIVHMEFLD-UHFFFAOYSA-N 0 0 328.328 2.644 10 5 EFBERN CC[C@@H](C)C(=O)Nc1cccc(CNc2nn(C)cc2[N+](=O)[O-])c1 ZINC001642085423 1101188691 /nfs/dbraw/zinc/18/86/91/1101188691.db2.gz UPMUJSDZPVJDRU-LLVKDONJSA-N 0 0 331.376 2.925 10 5 EFBERN CC[C@H](C)C(=O)Nc1cccc(CNc2nn(C)cc2[N+](=O)[O-])c1 ZINC001642085427 1101188886 /nfs/dbraw/zinc/18/88/86/1101188886.db2.gz UPMUJSDZPVJDRU-NSHDSACASA-N 0 0 331.376 2.925 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(NCCc2nccs2)c2ccccc21 ZINC001642172973 1101194829 /nfs/dbraw/zinc/19/48/29/1101194829.db2.gz ZFRSZTRBLNPHIA-UHFFFAOYSA-N 0 0 330.369 2.558 10 5 EFBERN NC(=O)c1cc(NCCc2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC001642223692 1101199189 /nfs/dbraw/zinc/19/91/89/1101199189.db2.gz GLLDZDGIZSHMQK-UHFFFAOYSA-N 0 0 336.351 2.897 10 5 EFBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@H](O)C[C@H]1c1ccccc1 ZINC001642508107 1101218838 /nfs/dbraw/zinc/21/88/38/1101218838.db2.gz UEBABLUHFWAIOJ-CJNGLKHVSA-N 0 0 330.315 2.682 10 5 EFBERN C[C@H](CNc1c([N+](=O)[O-])cnn1C)c1nc(-c2ccccc2)no1 ZINC001642518917 1101220066 /nfs/dbraw/zinc/22/00/66/1101220066.db2.gz HVKHMUUXKQYROW-SNVBAGLBSA-N 0 0 328.332 2.594 10 5 EFBERN Cc1cccc(CONC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC001642536872 1101220638 /nfs/dbraw/zinc/22/06/38/1101220638.db2.gz MOSPUJITYUJKPF-UHFFFAOYSA-N 0 0 326.312 2.641 10 5 EFBERN CSc1cccc(C(=O)NOCc2cccc(C)n2)c1[N+](=O)[O-] ZINC001642540562 1101221890 /nfs/dbraw/zinc/22/18/90/1101221890.db2.gz VEWFVNNKSDWUCH-UHFFFAOYSA-N 0 0 333.369 2.882 10 5 EFBERN O=c1[nH]cnc2c1CN(c1c(Cl)c(Cl)ccc1[N+](=O)[O-])CC2 ZINC001642589080 1101224930 /nfs/dbraw/zinc/22/49/30/1101224930.db2.gz XXLPICGUUCRXOL-UHFFFAOYSA-N 0 0 341.154 2.960 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCCC(C)(C)CC1 ZINC001642643899 1101230662 /nfs/dbraw/zinc/23/06/62/1101230662.db2.gz DYCNVZBTLFJTAL-KRWDZBQOSA-N 0 0 335.404 2.749 10 5 EFBERN Cc1ccc(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2=O)cc1 ZINC001642677465 1101230995 /nfs/dbraw/zinc/23/09/95/1101230995.db2.gz JDRRMECLVLLUSP-UHFFFAOYSA-N 0 0 329.331 2.896 10 5 EFBERN Cc1cc(NCc2nc(-c3ccccn3)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC001642689635 1101232449 /nfs/dbraw/zinc/23/24/49/1101232449.db2.gz JJPRGHQVYJSJMQ-UHFFFAOYSA-N 0 0 328.307 2.835 10 5 EFBERN CCc1cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1O ZINC001642692604 1101232758 /nfs/dbraw/zinc/23/27/58/1101232758.db2.gz OEHCSAIUKYRQQU-SFHVURJKSA-N 0 0 344.367 2.500 10 5 EFBERN C[C@H](Cc1cnn(C)c1)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001642697807 1101233809 /nfs/dbraw/zinc/23/38/09/1101233809.db2.gz YJSOHSYPBSWNHZ-SNVBAGLBSA-N 0 0 345.790 2.995 10 5 EFBERN CCCN(Cc1cccc([N+](=O)[O-])c1C)[C@H](COC)C(=O)OCC ZINC001642712975 1101235102 /nfs/dbraw/zinc/23/51/02/1101235102.db2.gz SGJZYZOGLRDFFV-MRXNPFEDSA-N 0 0 338.404 2.693 10 5 EFBERN Cn1cnc(CCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])c1 ZINC001642771541 1101239786 /nfs/dbraw/zinc/23/97/86/1101239786.db2.gz SRISXDGXVQYZQI-UHFFFAOYSA-N 0 0 331.763 2.606 10 5 EFBERN C[C@@H](Cc1cccc(F)c1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001642782721 1101241675 /nfs/dbraw/zinc/24/16/75/1101241675.db2.gz LRNYCRQUULCHAL-NSHDSACASA-N 0 0 331.347 2.900 10 5 EFBERN CC[C@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001642819680 1101245063 /nfs/dbraw/zinc/24/50/63/1101245063.db2.gz AZLMHDASTGHLST-RYUDHWBXSA-N 0 0 341.433 2.740 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H](CO)c1cccnc1 ZINC001642823904 1101245403 /nfs/dbraw/zinc/24/54/03/1101245403.db2.gz XJPZOTOQWYNEHM-GFCCVEGCSA-N 0 0 338.161 2.898 10 5 EFBERN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](Nc2ncccn2)C1 ZINC001642853290 1101248947 /nfs/dbraw/zinc/24/89/47/1101248947.db2.gz UAFDULJNNQAQBG-GFCCVEGCSA-N 0 0 336.355 2.624 10 5 EFBERN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cnc2[nH]cnc2c1 ZINC001642920573 1101256921 /nfs/dbraw/zinc/25/69/21/1101256921.db2.gz OBTNEXNBBHLWMG-UHFFFAOYSA-N 0 0 349.709 2.589 10 5 EFBERN CCC[C@@H](C)N1C[C@H](C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC001642928634 1101257429 /nfs/dbraw/zinc/25/74/29/1101257429.db2.gz AHAWHQOIOWESBH-UKRRQHHQSA-N 0 0 347.415 2.557 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)n1 ZINC001643002746 1101262770 /nfs/dbraw/zinc/26/27/70/1101262770.db2.gz ZZQKSPZOLQKYNM-XYPYZODXSA-N 0 0 339.396 2.576 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(O)cc3)CC2)c(F)c1 ZINC001643081549 1101269206 /nfs/dbraw/zinc/26/92/06/1101269206.db2.gz ANBWQYDSXLEUSM-UHFFFAOYSA-N 0 0 331.347 2.762 10 5 EFBERN Nc1nccc2c1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC001643139071 1101274184 /nfs/dbraw/zinc/27/41/84/1101274184.db2.gz ZLXIIRGLMCQPJP-UHFFFAOYSA-N 0 0 338.323 2.517 10 5 EFBERN NC(=O)c1ccnc(NCC2(c3cccc(F)c3)CCC2)c1[N+](=O)[O-] ZINC001643157448 1101276101 /nfs/dbraw/zinc/27/61/01/1101276101.db2.gz ZUSZSNWHWZCOHJ-UHFFFAOYSA-N 0 0 344.346 2.762 10 5 EFBERN CCOC(=O)c1ccnc(NCC[C@H]2CC(C)(C)CO2)c1[N+](=O)[O-] ZINC001643172984 1101277227 /nfs/dbraw/zinc/27/72/27/1101277227.db2.gz ZIAIXBGEDPPCQR-NSHDSACASA-N 0 0 337.376 2.784 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001643190797 1101278359 /nfs/dbraw/zinc/27/83/59/1101278359.db2.gz PRUMUIPCEHATQQ-CYBMUJFWSA-N 0 0 335.291 2.658 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](c2ncccn2)C1 ZINC001643193404 1101278979 /nfs/dbraw/zinc/27/89/79/1101278979.db2.gz DDCXCTPGFRLDGX-NSHDSACASA-N 0 0 329.316 2.677 10 5 EFBERN COC(=O)CC(C)(C)CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001643191087 1101279195 /nfs/dbraw/zinc/27/91/95/1101279195.db2.gz WKRRFMATCBZKHD-UHFFFAOYSA-N 0 0 325.365 2.778 10 5 EFBERN Nc1noc2cc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc12 ZINC001643206400 1101280459 /nfs/dbraw/zinc/28/04/59/1101280459.db2.gz IWJSBWUAIUDMMZ-UHFFFAOYSA-N 0 0 346.730 2.902 10 5 EFBERN Cn1nccc1[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001643223434 1101281957 /nfs/dbraw/zinc/28/19/57/1101281957.db2.gz PNGOVODZGURKRB-OAHLLOKOSA-N 0 0 339.355 2.536 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(SCc2ccncc2)s1 ZINC001643230399 1101282696 /nfs/dbraw/zinc/28/26/96/1101282696.db2.gz ONRGYMLCLJCQPO-UHFFFAOYSA-N 0 0 330.412 2.747 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(COCCO)cc1 ZINC001643259199 1101284644 /nfs/dbraw/zinc/28/46/44/1101284644.db2.gz ONWUVSHQAPQQGW-UHFFFAOYSA-N 0 0 344.367 2.973 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN3C[C@@H](F)C[C@H]3C2)nc1-c1ccccc1 ZINC001643270919 1101285861 /nfs/dbraw/zinc/28/58/61/1101285861.db2.gz UCTUUNSMPSCUBC-GJZGRUSLSA-N 0 0 342.374 2.889 10 5 EFBERN CCOC(=O)c1ccnc(N[C@H](C2CC2)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC001643265744 1101286084 /nfs/dbraw/zinc/28/60/84/1101286084.db2.gz LYLLGMZPTPGLPZ-GXTWGEPZSA-N 0 0 349.387 2.784 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cc2cnccc2o1 ZINC001643339590 1101291442 /nfs/dbraw/zinc/29/14/42/1101291442.db2.gz QJIAFAMMAIHXGP-SECBINFHSA-N 0 0 326.312 2.809 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001643387781 1101295166 /nfs/dbraw/zinc/29/51/66/1101295166.db2.gz URMCWICIRMEUNY-UHFFFAOYSA-N 0 0 348.742 2.870 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001643383657 1101295549 /nfs/dbraw/zinc/29/55/49/1101295549.db2.gz UVQWAPHNFDXDHR-UHFFFAOYSA-N 0 0 348.742 2.870 10 5 EFBERN CCc1csc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC001643382120 1101295714 /nfs/dbraw/zinc/29/57/14/1101295714.db2.gz KFIGTKNHPHIDMP-ZETCQYMHSA-N 0 0 338.364 2.826 10 5 EFBERN COC(=O)/C=C\c1ccc(N[C@H](C)[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001651318138 1101308344 /nfs/dbraw/zinc/30/83/44/1101308344.db2.gz MWUWPAMBIXXUFA-RNTLTSSQSA-N 0 0 348.277 2.505 10 5 EFBERN O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001651325317 1101310757 /nfs/dbraw/zinc/31/07/57/1101310757.db2.gz PPGMRSCJYRTYEK-CYBMUJFWSA-N 0 0 334.759 2.582 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2Cc3ccccc3N(C)C2)c1 ZINC001651332031 1101312755 /nfs/dbraw/zinc/31/27/55/1101312755.db2.gz OPUXXKOEOBLTCQ-CQSZACIVSA-N 0 0 341.367 2.854 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccoc2)c2ccncc21 ZINC001651370384 1101318141 /nfs/dbraw/zinc/31/81/41/1101318141.db2.gz ACGIMNOVUDEQOK-CYBMUJFWSA-N 0 0 327.340 2.999 10 5 EFBERN COc1cc(Br)cc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC001651400799 1101321665 /nfs/dbraw/zinc/32/16/65/1101321665.db2.gz KBNWWNJMAIFPTL-UHFFFAOYSA-N 0 0 339.149 2.768 10 5 EFBERN CC[C@@H](C)C(=O)Nc1cccc(CNc2c([N+](=O)[O-])cnn2C)c1 ZINC001651390137 1101322687 /nfs/dbraw/zinc/32/26/87/1101322687.db2.gz RDNYXDIWIYPXIN-LLVKDONJSA-N 0 0 331.376 2.925 10 5 EFBERN CN(CCc1ccc2c(c1)OCO2)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001651420951 1101326083 /nfs/dbraw/zinc/32/60/83/1101326083.db2.gz JQUGESXDTAAFBI-UHFFFAOYSA-N 0 0 345.311 2.911 10 5 EFBERN CC(C)Oc1nc(NC[C@@H](O)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC001651420942 1101326887 /nfs/dbraw/zinc/32/68/87/1101326887.db2.gz JIFNBGFNYGKZKC-ZDUSSCGKSA-N 0 0 349.362 2.932 10 5 EFBERN Cc1cc(OCC(=O)N2Cc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC001301073825 1101328456 /nfs/dbraw/zinc/32/84/56/1101328456.db2.gz NXDYUKMCPIGMRU-UHFFFAOYSA-N 0 0 328.324 2.530 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cnn(C2CCC2)c1 ZINC001651456443 1101333001 /nfs/dbraw/zinc/33/30/01/1101333001.db2.gz BYJGDGHQWQJFMJ-UHFFFAOYSA-N 0 0 336.373 2.663 10 5 EFBERN C[C@H]1CN(CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCO1 ZINC001651467876 1101333820 /nfs/dbraw/zinc/33/38/20/1101333820.db2.gz QNDJMUXMSLMNPI-JTQLQIEISA-N 0 0 333.310 2.746 10 5 EFBERN CNC(=O)c1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001651468466 1101334034 /nfs/dbraw/zinc/33/40/34/1101334034.db2.gz OVFRFCKQJCKLOL-MHMFGPJMSA-N 0 0 327.384 2.603 10 5 EFBERN COC(=O)c1ccnc(Nc2ccc3c(c2)C[C@H](C)O3)c1[N+](=O)[O-] ZINC001651471147 1101334339 /nfs/dbraw/zinc/33/43/39/1101334339.db2.gz SUMDXZMWNCTEDY-VIFPVBQESA-N 0 0 329.312 2.843 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1NC1CC(NCC(F)(F)F)C1 ZINC001651485148 1101337198 /nfs/dbraw/zinc/33/71/98/1101337198.db2.gz SWOWWVVDPRCTAZ-UHFFFAOYSA-N 0 0 340.305 2.660 10 5 EFBERN COC(=O)c1ccc2cc(CCNc3c([N+](=O)[O-])cnn3C)oc2c1 ZINC001651507129 1101339589 /nfs/dbraw/zinc/33/95/89/1101339589.db2.gz MAPLZCLCKFSPBP-UHFFFAOYSA-N 0 0 344.327 2.516 10 5 EFBERN CCOC(=O)c1ccnc(N[C@@H](C)Cc2cccnc2)c1[N+](=O)[O-] ZINC001651509676 1101340365 /nfs/dbraw/zinc/34/03/65/1101340365.db2.gz OHZQKOYBOVYDDJ-NSHDSACASA-N 0 0 330.344 2.605 10 5 EFBERN CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(F)cc1[N+](=O)[O-])C2 ZINC001651521553 1101341675 /nfs/dbraw/zinc/34/16/75/1101341675.db2.gz CNTDYTOZBBVTBZ-UHFFFAOYSA-N 0 0 337.351 2.791 10 5 EFBERN CNC(=O)c1ccc(NC[C@H]2OCc3ccccc32)c([N+](=O)[O-])c1 ZINC001651518188 1101341891 /nfs/dbraw/zinc/34/18/91/1101341891.db2.gz KUTROSYFLHAFQY-MRXNPFEDSA-N 0 0 327.340 2.638 10 5 EFBERN COC(=O)[C@@]1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC001651526646 1101343500 /nfs/dbraw/zinc/34/35/00/1101343500.db2.gz CYRIPFQGDPOAMU-CYBMUJFWSA-N 0 0 348.277 2.605 10 5 EFBERN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC2CC3(CCC3)C2)C1=O ZINC001651543022 1101345243 /nfs/dbraw/zinc/34/52/43/1101345243.db2.gz IFIKUGARSOBBMJ-KRWDZBQOSA-N 0 0 343.383 2.942 10 5 EFBERN Cc1ccc([C@@H](C)Nc2cc(C(N)=O)nc(Cl)n2)cc1[N+](=O)[O-] ZINC001651572785 1101348846 /nfs/dbraw/zinc/34/88/46/1101348846.db2.gz SDEUIXFATPJAPK-MRVPVSSYSA-N 0 0 335.751 2.619 10 5 EFBERN COCCc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000799819462 1101349753 /nfs/dbraw/zinc/34/97/53/1101349753.db2.gz JRNBQKPWZJHUKN-UHFFFAOYSA-N 0 0 337.353 2.551 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001651603489 1101353293 /nfs/dbraw/zinc/35/32/93/1101353293.db2.gz PTZPKZBHWOUEAF-UHFFFAOYSA-N 0 0 336.307 2.823 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CCSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC001651610845 1101355638 /nfs/dbraw/zinc/35/56/38/1101355638.db2.gz DKJJNLFXTLCNNU-UHFFFAOYSA-N 0 0 344.400 2.986 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCN(C(=O)CC)C2)cc1C ZINC001651641900 1101359448 /nfs/dbraw/zinc/35/94/48/1101359448.db2.gz XTTKOBBWBINPLN-GFCCVEGCSA-N 0 0 349.387 2.503 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCOC3(CCC3)C2)cc1C ZINC001651651884 1101361802 /nfs/dbraw/zinc/36/18/02/1101361802.db2.gz DPBUQCDZOPHYMJ-UHFFFAOYSA-N 0 0 334.372 2.839 10 5 EFBERN Cc1ccc2[nH]c([C@H]3CCCN(c4nn(C)cc4[N+](=O)[O-])C3)nc2c1 ZINC001651678620 1101364785 /nfs/dbraw/zinc/36/47/85/1101364785.db2.gz VUPSTDCUUSACLB-LBPRGKRZSA-N 0 0 340.387 2.897 10 5 EFBERN COc1ccc(-n2ccnc2SCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC001651690038 1101369370 /nfs/dbraw/zinc/36/93/70/1101369370.db2.gz GXPXCORYFMKQOA-UHFFFAOYSA-N 0 0 345.384 2.815 10 5 EFBERN C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001651750721 1101376934 /nfs/dbraw/zinc/37/69/34/1101376934.db2.gz HUGKADCQXRDELD-VIFPVBQESA-N 0 0 334.763 2.806 10 5 EFBERN CC(C)CN1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1=O ZINC001651770044 1101381409 /nfs/dbraw/zinc/38/14/09/1101381409.db2.gz WYTAVZSMQWUOCG-UHFFFAOYSA-N 0 0 345.321 2.918 10 5 EFBERN Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])n[nH]2)c(Br)c1 ZINC001651835302 1101392020 /nfs/dbraw/zinc/39/20/20/1101392020.db2.gz YGTRMGCPQBZACL-UHFFFAOYSA-N 0 0 339.149 2.570 10 5 EFBERN COC(=O)c1csc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)n1 ZINC001651873143 1101397483 /nfs/dbraw/zinc/39/74/83/1101397483.db2.gz DNPBFUBJQKCTEN-UHFFFAOYSA-N 0 0 332.341 2.544 10 5 EFBERN O=C(Nc1nc2ccccn2n1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001266606232 1101398213 /nfs/dbraw/zinc/39/82/13/1101398213.db2.gz NZNWWPGASYUYBD-UHFFFAOYSA-N 0 0 337.339 2.698 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC[C@@]3(O)CCCC3(C)C)c2c1 ZINC001651883604 1101400110 /nfs/dbraw/zinc/40/01/10/1101400110.db2.gz DILZDNYCVNZSPB-SFHVURJKSA-N 0 0 345.399 2.927 10 5 EFBERN O=C1C[C@H](Oc2cccc(Nc3ncc([N+](=O)[O-])cc3Cl)c2)N1 ZINC001651940184 1101406870 /nfs/dbraw/zinc/40/68/70/1101406870.db2.gz YFYAPOSFNYENQU-ZDUSSCGKSA-N 0 0 334.719 2.612 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCc1c(F)cccc1F ZINC001651938797 1101407029 /nfs/dbraw/zinc/40/70/29/1101407029.db2.gz DFVCPHPEESLDIM-UHFFFAOYSA-N 0 0 347.277 2.932 10 5 EFBERN O=C(CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Nc1ncc[nH]1 ZINC001651928032 1101407250 /nfs/dbraw/zinc/40/72/50/1101407250.db2.gz IZRNVPXVWIZTGI-UHFFFAOYSA-N 0 0 343.265 2.777 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnc(CS(=O)(=O)c2ccccc2)o1 ZINC001651927353 1101407978 /nfs/dbraw/zinc/40/79/78/1101407978.db2.gz CHZBQKUSJAFVCY-UHFFFAOYSA-N 0 0 345.336 2.619 10 5 EFBERN C[C@@H](C(=O)OC(C)(C)C)N(c1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC001651954321 1101408731 /nfs/dbraw/zinc/40/87/31/1101408731.db2.gz HZENBIQVTPJHKB-NSHDSACASA-N 0 0 346.387 2.942 10 5 EFBERN CC[C@@H](C)C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)OC ZINC001651984741 1101415197 /nfs/dbraw/zinc/41/51/97/1101415197.db2.gz ZRMHJFCNXASQIQ-RKDXNWHRSA-N 0 0 326.378 2.694 10 5 EFBERN CC[C@H](C)C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)OC ZINC001651984738 1101415466 /nfs/dbraw/zinc/41/54/66/1101415466.db2.gz ZRMHJFCNXASQIQ-DTWKUNHWSA-N 0 0 326.378 2.694 10 5 EFBERN COC(=O)/C=C/c1ccc(SCc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC001652019641 1101421298 /nfs/dbraw/zinc/42/12/98/1101421298.db2.gz DEUKXIFDIYZNMU-GQCTYLIASA-N 0 0 333.369 2.807 10 5 EFBERN Cc1c(OC(=O)c2cncc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC001125297232 1101421202 /nfs/dbraw/zinc/42/12/02/1101421202.db2.gz JMWLUICJYIVTHX-UHFFFAOYSA-N 0 0 341.323 2.644 10 5 EFBERN O=C(NCc1cc(C(F)F)on1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001652047900 1101426256 /nfs/dbraw/zinc/42/62/56/1101426256.db2.gz OXFBULTZAWIPMG-UHFFFAOYSA-N 0 0 336.254 2.932 10 5 EFBERN O=c1cc(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)nc2ccccn12 ZINC001652067384 1101428571 /nfs/dbraw/zinc/42/85/71/1101428571.db2.gz IYDJUPVWLGXYMK-UHFFFAOYSA-N 0 0 347.334 2.515 10 5 EFBERN O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)Nc1ccc2ccccc2c1 ZINC001652058709 1101428670 /nfs/dbraw/zinc/42/86/70/1101428670.db2.gz RJXKFPXJQSFWFZ-UHFFFAOYSA-N 0 0 341.298 2.688 10 5 EFBERN C[C@@H]1CC[C@H](Nc2ccncc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001652106645 1101435660 /nfs/dbraw/zinc/43/56/60/1101435660.db2.gz SXOVPPHXNUDSJY-NEPJUHHUSA-N 0 0 336.392 2.612 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001652102836 1101435920 /nfs/dbraw/zinc/43/59/20/1101435920.db2.gz NYRSMFFDTWFQIW-CHWSQXEVSA-N 0 0 344.371 2.833 10 5 EFBERN O=C(c1cncc2[nH]cnc21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167396441 1101439603 /nfs/dbraw/zinc/43/96/03/1101439603.db2.gz CYHNPMXATZCACF-UHFFFAOYSA-N 0 0 337.339 2.849 10 5 EFBERN COc1cc([N+](=O)[O-])cn(CC(=O)c2cc3cc(C)ccc3o2)c1=O ZINC001652137328 1101442206 /nfs/dbraw/zinc/44/22/06/1101442206.db2.gz WOGPRMLOANWOQP-UHFFFAOYSA-N 0 0 342.307 2.703 10 5 EFBERN CCc1nnc(Sc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])o1 ZINC001652165648 1101445065 /nfs/dbraw/zinc/44/50/65/1101445065.db2.gz GCQVZEWDHNYKOR-ALCCZGGFSA-N 0 0 335.341 2.878 10 5 EFBERN COC(=O)/C=C/c1ccc(NCCc2ccns2)c([N+](=O)[O-])c1 ZINC001652168308 1101447844 /nfs/dbraw/zinc/44/78/44/1101447844.db2.gz OJGTYRXJKQRFQC-HWKANZROSA-N 0 0 333.369 2.892 10 5 EFBERN COC(=O)c1cnoc1COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001652188821 1101449195 /nfs/dbraw/zinc/44/91/95/1101449195.db2.gz OWTCCCSLDADQFP-UHFFFAOYSA-N 0 0 330.655 2.741 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC(F)(F)OC(F)(F)C1 ZINC001652211574 1101452589 /nfs/dbraw/zinc/45/25/89/1101452589.db2.gz RIANPQBYWKPQDI-UHFFFAOYSA-N 0 0 347.224 2.734 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCC1(c2cccc(F)c2)CCC1 ZINC001652207146 1101452707 /nfs/dbraw/zinc/45/27/07/1101452707.db2.gz DLBGGAFARIHFCW-UHFFFAOYSA-N 0 0 344.346 2.762 10 5 EFBERN CCC(=O)c1ccc(NCC(C)(C)CS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001652212354 1101452985 /nfs/dbraw/zinc/45/29/85/1101452985.db2.gz NRNRPLAOTXSXMR-UHFFFAOYSA-N 0 0 342.417 2.670 10 5 EFBERN Cc1cc(NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)c([N+](=O)[O-])s1 ZINC001652212407 1101453300 /nfs/dbraw/zinc/45/33/00/1101453300.db2.gz PESIKJKCDNFYNL-UHFFFAOYSA-N 0 0 338.389 2.594 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CSC[C@@H]3C2)cc1C ZINC001652222983 1101454401 /nfs/dbraw/zinc/45/44/01/1101454401.db2.gz USZNMHAOTLKAIW-TXEJJXNPSA-N 0 0 336.413 2.879 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(NCc2csc(-c3ccn(C)n3)n2)n1 ZINC001652225933 1101454926 /nfs/dbraw/zinc/45/49/26/1101454926.db2.gz UVHDIJCMHIDMGX-UHFFFAOYSA-N 0 0 330.373 2.767 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1cncc(F)c1 ZINC001652231398 1101456937 /nfs/dbraw/zinc/45/69/37/1101456937.db2.gz MIHTUNNZJMKENN-UHFFFAOYSA-N 0 0 330.319 2.633 10 5 EFBERN COC(=O)c1ccccc1COc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001652250169 1101460994 /nfs/dbraw/zinc/46/09/94/1101460994.db2.gz VKYLMLUMHOTNSN-UHFFFAOYSA-N 0 0 345.307 2.732 10 5 EFBERN Cc1csc(C[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)n1 ZINC001652264522 1101462862 /nfs/dbraw/zinc/46/28/62/1101462862.db2.gz SODOQASZWGZOTG-NSHDSACASA-N 0 0 346.412 2.528 10 5 EFBERN CCc1nn(C)c(Nc2ccc([C@H](C)CC(N)=O)cc2)c1[N+](=O)[O-] ZINC001652277427 1101466709 /nfs/dbraw/zinc/46/67/09/1101466709.db2.gz KBNGPATZUHLUQY-SNVBAGLBSA-N 0 0 331.376 2.613 10 5 EFBERN CC(F)(F)CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001652273618 1101467165 /nfs/dbraw/zinc/46/71/65/1101467165.db2.gz VOMZPBMDZWYSDT-UHFFFAOYSA-N 0 0 342.371 2.982 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC3CC(NCC(F)(F)F)C3)nc2c1 ZINC001652294299 1101470867 /nfs/dbraw/zinc/47/08/67/1101470867.db2.gz HHIORTSNSUMNIA-UHFFFAOYSA-N 0 0 329.282 2.566 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](c1ccncc1)C1CC1 ZINC001652308040 1101473909 /nfs/dbraw/zinc/47/39/09/1101473909.db2.gz VCLMOHRIXUNQEM-MRXNPFEDSA-N 0 0 347.396 2.957 10 5 EFBERN Cc1ccc2[nH]cc(CCNc3nccc(C(N)=O)c3[N+](=O)[O-])c2c1 ZINC001652320066 1101475900 /nfs/dbraw/zinc/47/59/00/1101475900.db2.gz ARRMADUBFJMVOQ-UHFFFAOYSA-N 0 0 339.355 2.533 10 5 EFBERN Nc1nccc2c1CN(c1cccc(Br)c1[N+](=O)[O-])CC2 ZINC001652318190 1101476050 /nfs/dbraw/zinc/47/60/50/1101476050.db2.gz NSZIWEZTOCUUEL-UHFFFAOYSA-N 0 0 349.188 2.897 10 5 EFBERN CCC(=O)c1ccc(NC[C@H](O)c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC001652323507 1101477774 /nfs/dbraw/zinc/47/77/74/1101477774.db2.gz IKTZIEGZSIPEMC-INIZCTEOSA-N 0 0 346.387 2.683 10 5 EFBERN NC(=O)[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC001652327326 1101478509 /nfs/dbraw/zinc/47/85/09/1101478509.db2.gz UWAYRAQNMXEGBN-CYBMUJFWSA-N 0 0 345.746 2.763 10 5 EFBERN Cn1cc(Cl)c(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001652335318 1101479081 /nfs/dbraw/zinc/47/90/81/1101479081.db2.gz JVHRIXNJNDLBRJ-UHFFFAOYSA-N 0 0 336.735 2.583 10 5 EFBERN NC(=O)[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC001652327327 1101479769 /nfs/dbraw/zinc/47/97/69/1101479769.db2.gz UWAYRAQNMXEGBN-ZDUSSCGKSA-N 0 0 345.746 2.763 10 5 EFBERN O=[N+]([O-])c1ccc(OCc2ccc(OCC(F)(F)F)nn2)cc1 ZINC001652439031 1101489816 /nfs/dbraw/zinc/48/98/16/1101489816.db2.gz YLBFEECQSWCGIA-UHFFFAOYSA-N 0 0 329.234 2.905 10 5 EFBERN CCCCc1nc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC001652482949 1101497973 /nfs/dbraw/zinc/49/79/73/1101497973.db2.gz PPOLSEYMDNHALG-UHFFFAOYSA-N 0 0 339.373 2.603 10 5 EFBERN Cc1ccc(CN2C(=O)CN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC001652610828 1101520163 /nfs/dbraw/zinc/52/01/63/1101520163.db2.gz WEOCYNYPHXMIRW-UHFFFAOYSA-N 0 0 325.324 2.872 10 5 EFBERN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc(C2CC2)no1 ZINC001652626729 1101523628 /nfs/dbraw/zinc/52/36/28/1101523628.db2.gz LHNKVTFRQSQZAL-UHFFFAOYSA-N 0 0 338.323 2.732 10 5 EFBERN O=C(Cn1ccc2sccc2c1=O)c1ccc([N+](=O)[O-])cc1F ZINC001652747509 1101539402 /nfs/dbraw/zinc/53/94/02/1101539402.db2.gz OEMJBSHDQBWCGP-UHFFFAOYSA-N 0 0 332.312 2.993 10 5 EFBERN CC(C)c1nc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH]1 ZINC001652743772 1101539979 /nfs/dbraw/zinc/53/99/79/1101539979.db2.gz VYWDVYBXSGJPPZ-UHFFFAOYSA-N 0 0 341.371 2.782 10 5 EFBERN C/C(=C/Cl)CSCC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001652797767 1101549067 /nfs/dbraw/zinc/54/90/67/1101549067.db2.gz WBTJYLGTMSYJHJ-TWGQIWQCSA-N 0 0 328.777 2.727 10 5 EFBERN O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cccc2c1CCOC2 ZINC001652816295 1101549735 /nfs/dbraw/zinc/54/97/35/1101549735.db2.gz ILDKIQLWKWZZOR-UHFFFAOYSA-N 0 0 326.308 2.624 10 5 EFBERN O=c1c2cc([N+](=O)[O-])sc2ncn1CCOc1ccc(F)cc1 ZINC001652828503 1101553352 /nfs/dbraw/zinc/55/33/52/1101553352.db2.gz SOHHCLPWXSZLFL-UHFFFAOYSA-N 0 0 335.316 2.584 10 5 EFBERN O=[N+]([O-])c1cncc(Cl)c1OCCOc1ccc2c(c1)OCO2 ZINC001652830688 1101554414 /nfs/dbraw/zinc/55/44/14/1101554414.db2.gz XMQMTHVUJYGOKS-UHFFFAOYSA-N 0 0 338.703 2.830 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1Cn1nc2c(cc1=O)Cc1ccccc1-2 ZINC001652837998 1101555432 /nfs/dbraw/zinc/55/54/32/1101555432.db2.gz HVCVADKDQQQVAZ-UHFFFAOYSA-N 0 0 349.346 2.780 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001670708437 1101565761 /nfs/dbraw/zinc/56/57/61/1101565761.db2.gz ARSGHGKBNOFDHU-VXGBXAGGSA-N 0 0 337.376 2.687 10 5 EFBERN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001652942202 1101568634 /nfs/dbraw/zinc/56/86/34/1101568634.db2.gz WYMDFMOABLKKLQ-HZMBPMFUSA-N 0 0 326.780 2.919 10 5 EFBERN Nc1ccn(CC(=O)c2cccc(Cl)c2Cl)c(=O)c1[N+](=O)[O-] ZINC001652952957 1101570423 /nfs/dbraw/zinc/57/04/23/1101570423.db2.gz UVLKKHHIJNOEQP-UHFFFAOYSA-N 0 0 342.138 2.528 10 5 EFBERN Nc1ccn(C[C@@H]2CCC[C@@H](c3ccccc3)O2)c(=O)c1[N+](=O)[O-] ZINC001652952475 1101570546 /nfs/dbraw/zinc/57/05/46/1101570546.db2.gz JIDXZHWFIDLFCL-ZFWWWQNUSA-N 0 0 329.356 2.649 10 5 EFBERN CCOC(=O)c1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC001653038254 1101577466 /nfs/dbraw/zinc/57/74/66/1101577466.db2.gz RUBBPSSMNAUWNN-LLVKDONJSA-N 0 0 333.344 2.919 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@H]2c2ncc[nH]2)o1 ZINC001653061645 1101581531 /nfs/dbraw/zinc/58/15/31/1101581531.db2.gz YFCTZOYENSNEDV-ZDUSSCGKSA-N 0 0 340.343 2.705 10 5 EFBERN CCNc1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC001653107941 1101587733 /nfs/dbraw/zinc/58/77/33/1101587733.db2.gz MUSFHYVXGPTDRZ-UHFFFAOYSA-N 0 0 330.344 2.611 10 5 EFBERN C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC001653119432 1101588718 /nfs/dbraw/zinc/58/87/18/1101588718.db2.gz NYFNASMPHIBFJS-TVQRCGJNSA-N 0 0 329.194 2.560 10 5 EFBERN NC(=O)c1ccc(OCc2c(F)cc([N+](=O)[O-])cc2F)c(F)c1 ZINC001653132749 1101589518 /nfs/dbraw/zinc/58/95/18/1101589518.db2.gz QCONTOHWUJMSQO-UHFFFAOYSA-N 0 0 326.230 2.690 10 5 EFBERN COC(=O)C1=C(C)O[C@H](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001653134519 1101590156 /nfs/dbraw/zinc/59/01/56/1101590156.db2.gz SNZJUMUUSTYTJO-AWEZNQCLSA-N 0 0 343.339 2.694 10 5 EFBERN Cc1ccc(NC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)c(N)c1[N+](=O)[O-] ZINC001653218392 1101599290 /nfs/dbraw/zinc/59/92/90/1101599290.db2.gz WQUQZGXQHMEIGP-WPRPVWTQSA-N 0 0 347.293 2.924 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N[C@@H](CO)C(F)(F)F)cc1[N+](=O)[O-] ZINC001653233872 1101600279 /nfs/dbraw/zinc/60/02/79/1101600279.db2.gz PMMBHRVQXVCNJD-NSHDSACASA-N 0 0 334.294 2.545 10 5 EFBERN C[C@]1(C2CC2)COCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001653373529 1101615701 /nfs/dbraw/zinc/61/57/01/1101615701.db2.gz LOIYULZRJKEVKO-MRXNPFEDSA-N 0 0 338.791 2.818 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCCSC[C@H]2C)cc1[N+](=O)[O-] ZINC001653454845 1101622533 /nfs/dbraw/zinc/62/25/33/1101622533.db2.gz UCWUBBVTCYXYNS-SECBINFHSA-N 0 0 339.373 2.779 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC001653454851 1101623215 /nfs/dbraw/zinc/62/32/15/1101623215.db2.gz UCWUBBVTCYXYNS-VIFPVBQESA-N 0 0 339.373 2.779 10 5 EFBERN Cc1c(C(=O)Nc2ccnn2C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001653589361 1101634615 /nfs/dbraw/zinc/63/46/15/1101634615.db2.gz GUBNVXZWTLYSFZ-UHFFFAOYSA-N 0 0 345.315 2.904 10 5 EFBERN Cc1cccnc1[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001653659483 1101639896 /nfs/dbraw/zinc/63/98/96/1101639896.db2.gz ZAYJQPDLBOCINV-NSHDSACASA-N 0 0 343.339 2.560 10 5 EFBERN Cc1ccc2n[nH]nc2c1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001653681930 1101641699 /nfs/dbraw/zinc/64/16/99/1101641699.db2.gz CNRYGENEMMWBSX-UHFFFAOYSA-N 0 0 343.318 2.885 10 5 EFBERN Cc1cc(NC(=O)C[C@H]2NC(=O)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001653769828 1101649583 /nfs/dbraw/zinc/64/95/83/1101649583.db2.gz UURJXSKFJPYTKX-OAHLLOKOSA-N 0 0 325.324 2.717 10 5 EFBERN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1CO ZINC001654026717 1101671659 /nfs/dbraw/zinc/67/16/59/1101671659.db2.gz UMIHMKQFIDLVQZ-UHFFFAOYSA-N 0 0 347.346 2.691 10 5 EFBERN CN(CC1CCCCC1)C(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001654067575 1101677150 /nfs/dbraw/zinc/67/71/50/1101677150.db2.gz OHJMXUXMBTYHOM-UHFFFAOYSA-N 0 0 331.416 2.996 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)N(CCOc1ccc3c(c1)OCO3)CC2 ZINC001654067183 1101678272 /nfs/dbraw/zinc/67/82/72/1101678272.db2.gz IISVNODCJPCLRT-UHFFFAOYSA-N 0 0 328.324 2.765 10 5 EFBERN CN(CCNC(=O)c1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC001654212638 1101693574 /nfs/dbraw/zinc/69/35/74/1101693574.db2.gz RBZNTPLHSZNTQP-UHFFFAOYSA-N 0 0 334.763 2.509 10 5 EFBERN Cc1ccc2ncc(C(=O)NCc3ccc([N+](=O)[O-])cc3)c(O)c2c1 ZINC001654237610 1101696398 /nfs/dbraw/zinc/69/63/98/1101696398.db2.gz FPDABFRIGDLTNZ-UHFFFAOYSA-N 0 0 337.335 2.675 10 5 EFBERN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[NH+]1CCCCC1 ZINC001654241254 1101696737 /nfs/dbraw/zinc/69/67/37/1101696737.db2.gz KPKQOHGRGFDJHP-SNVBAGLBSA-N 0 0 341.795 2.558 10 5 EFBERN C[C@H](NC(=O)c1ccc2c(n1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC001654230366 1101697300 /nfs/dbraw/zinc/69/73/00/1101697300.db2.gz QAWGBQVHXKKNRA-NSHDSACASA-N 0 0 326.356 2.839 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCC[C@@H]1CCCCO1 ZINC000784956009 1101698370 /nfs/dbraw/zinc/69/83/70/1101698370.db2.gz LHBCRRCDWRJSPA-NSHDSACASA-N 0 0 327.308 2.615 10 5 EFBERN C[C@H]1[C@@H](CO)CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001654308609 1101703413 /nfs/dbraw/zinc/70/34/13/1101703413.db2.gz KWUXASNATWWVGF-VHSXEESVSA-N 0 0 329.194 2.560 10 5 EFBERN CN(C)c1nc2c(s1)CN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001654680104 1101748776 /nfs/dbraw/zinc/74/87/76/1101748776.db2.gz XBTFMFZEXJBJGV-UHFFFAOYSA-N 0 0 348.428 2.554 10 5 EFBERN CCON(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001654746454 1101752143 /nfs/dbraw/zinc/75/21/43/1101752143.db2.gz LIDDNMFUZKURFO-UHFFFAOYSA-N 0 0 329.356 2.987 10 5 EFBERN Cn1cnnc1CC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001654845189 1101763466 /nfs/dbraw/zinc/76/34/66/1101763466.db2.gz FFYPNWGQYPJKSM-UHFFFAOYSA-N 0 0 349.822 2.831 10 5 EFBERN COC(=O)Cc1ccc(Oc2cccc(C(=O)OC)c2)c([N+](=O)[O-])c1 ZINC001654870203 1101764556 /nfs/dbraw/zinc/76/45/56/1101764556.db2.gz PKGFNURBJBYDMY-UHFFFAOYSA-N 0 0 345.307 2.889 10 5 EFBERN CCCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)s1 ZINC001626766039 1101770065 /nfs/dbraw/zinc/77/00/65/1101770065.db2.gz DTVRRUPWLTZTMY-UHFFFAOYSA-N 0 0 333.369 2.960 10 5 EFBERN CCn1ccnc1Sc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001654937156 1101771822 /nfs/dbraw/zinc/77/18/22/1101771822.db2.gz AIFJIJRVFRXDTR-UHFFFAOYSA-N 0 0 330.369 2.814 10 5 EFBERN Cc1nc(Sc2n[nH]c(-c3ccccc3F)n2)ncc1[N+](=O)[O-] ZINC001654942379 1101771837 /nfs/dbraw/zinc/77/18/37/1101771837.db2.gz KWRVCAJZTDJZFT-UHFFFAOYSA-N 0 0 332.320 2.769 10 5 EFBERN Cc1nc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncc1[N+](=O)[O-] ZINC001654939185 1101771859 /nfs/dbraw/zinc/77/18/59/1101771859.db2.gz UUDNHVQBEDLLQO-UHFFFAOYSA-N 0 0 336.355 2.863 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCOCC(F)(F)F ZINC001654948539 1101773495 /nfs/dbraw/zinc/77/34/95/1101773495.db2.gz MPKZSSHTKNQRMW-UHFFFAOYSA-N 0 0 333.241 2.695 10 5 EFBERN COC(C)(C)c1nsc(NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001654963708 1101773782 /nfs/dbraw/zinc/77/37/82/1101773782.db2.gz QUWCGIKBNBYRDW-UHFFFAOYSA-N 0 0 337.405 2.852 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(NCc2ccc(O)cc2)c2ccccc21 ZINC001654997789 1101774687 /nfs/dbraw/zinc/77/46/87/1101774687.db2.gz DOVVJLSMNJSSLS-UHFFFAOYSA-N 0 0 325.324 2.764 10 5 EFBERN COC(=O)c1ccnc(NCCc2c(F)cccc2F)c1[N+](=O)[O-] ZINC001654994495 1101775438 /nfs/dbraw/zinc/77/54/38/1101775438.db2.gz NRAIHZGXZWXQHC-UHFFFAOYSA-N 0 0 337.282 2.709 10 5 EFBERN COc1cc(N(C)Cc2cccc(C(N)=O)c2)c(Cl)cc1[N+](=O)[O-] ZINC001655016205 1101776989 /nfs/dbraw/zinc/77/69/89/1101776989.db2.gz HEUJKESJQJPGNI-UHFFFAOYSA-N 0 0 349.774 2.992 10 5 EFBERN NC(=O)c1cccc(CCNc2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001655078020 1101784390 /nfs/dbraw/zinc/78/43/90/1101784390.db2.gz VLBOHXKOTANJFN-UHFFFAOYSA-N 0 0 336.351 2.897 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2nnc(-c3ccc(F)cc3)[nH]2)c(F)c1 ZINC001655114515 1101785021 /nfs/dbraw/zinc/78/50/21/1101785021.db2.gz VMUYTANDFCNQPV-UHFFFAOYSA-N 0 0 332.270 2.665 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CCOc4ccc(O)cc4C3)nc2c1 ZINC001655153591 1101790801 /nfs/dbraw/zinc/79/08/01/1101790801.db2.gz ANZNIVNAERHOGW-UHFFFAOYSA-N 0 0 340.339 2.571 10 5 EFBERN COC(=O)Cc1ccc(N[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC001655179284 1101792774 /nfs/dbraw/zinc/79/27/74/1101792774.db2.gz MAELVNKQTXNICN-RHSMWYFYSA-N 0 0 336.388 2.926 10 5 EFBERN Nc1nnc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)o1 ZINC001655202712 1101793685 /nfs/dbraw/zinc/79/36/85/1101793685.db2.gz KRJNZAAOJUTEBZ-SECBINFHSA-N 0 0 337.767 2.593 10 5 EFBERN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cnc1OC ZINC001167121928 1101795867 /nfs/dbraw/zinc/79/58/67/1101795867.db2.gz VLJNNVVCPHLMAQ-UHFFFAOYSA-N 0 0 337.719 2.913 10 5 EFBERN CCc1onc(C)c1CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC001655255789 1101799407 /nfs/dbraw/zinc/79/94/07/1101799407.db2.gz IVTYETHOBBCKTQ-KRWDZBQOSA-N 0 0 347.371 2.632 10 5 EFBERN COCCCOc1cc(C)ccc1CNc1nn(C)cc1[N+](=O)[O-] ZINC001655245643 1101800007 /nfs/dbraw/zinc/80/00/07/1101800007.db2.gz XXBIBNJJLNFOOF-UHFFFAOYSA-N 0 0 334.376 2.664 10 5 EFBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOc2c(F)cccc21 ZINC001125315584 1101801141 /nfs/dbraw/zinc/80/11/41/1101801141.db2.gz ACXVKMADVVJQCU-AWEZNQCLSA-N 0 0 330.315 2.916 10 5 EFBERN COC(=O)CN(CCC(F)(F)F)c1cc(C)c([N+](=O)[O-])cc1F ZINC001655279071 1101801910 /nfs/dbraw/zinc/80/19/10/1101801910.db2.gz MCLXICLOENBGHL-UHFFFAOYSA-N 0 0 338.257 2.974 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCc3n[nH]cc3C2)cc1C ZINC001655300844 1101806127 /nfs/dbraw/zinc/80/61/27/1101806127.db2.gz XXUQMWDDSCCVHL-GFCCVEGCSA-N 0 0 344.371 2.772 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001655323843 1101810477 /nfs/dbraw/zinc/81/04/77/1101810477.db2.gz IVDXCQUBHVUOJJ-UHFFFAOYSA-N 0 0 325.712 2.545 10 5 EFBERN Cc1c(CN2CCN(Cc3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC001655383742 1101818372 /nfs/dbraw/zinc/81/83/72/1101818372.db2.gz CLJLKDDPYPGSOF-UHFFFAOYSA-N 0 0 341.411 2.927 10 5 EFBERN O=[N+]([O-])c1ccccc1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001655435010 1101827345 /nfs/dbraw/zinc/82/73/45/1101827345.db2.gz XYKFTEWGPVCEPD-UHFFFAOYSA-N 0 0 335.291 2.789 10 5 EFBERN COC(=O)Nc1cccc(CNc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001655460812 1101831353 /nfs/dbraw/zinc/83/13/53/1101831353.db2.gz MWTSICPBJIASSC-UHFFFAOYSA-N 0 0 336.735 2.856 10 5 EFBERN CN(C)c1ncc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001125316839 1101838173 /nfs/dbraw/zinc/83/81/73/1101838173.db2.gz YCUDVCDGZQRUQN-UHFFFAOYSA-N 0 0 334.763 2.639 10 5 EFBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001655550629 1101844720 /nfs/dbraw/zinc/84/47/20/1101844720.db2.gz DDMTZFJGSWJUJX-JGVFFNPUSA-N 0 0 334.120 2.844 10 5 EFBERN O=[N+]([O-])c1c(NCc2nccc(C(F)(F)F)n2)nc2ccccn21 ZINC001655573233 1101849513 /nfs/dbraw/zinc/84/95/13/1101849513.db2.gz HOXDRPIMNDIVRB-UHFFFAOYSA-N 0 0 338.249 2.663 10 5 EFBERN COC(=O)/C=C/c1ccc(N[C@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC001655579218 1101850298 /nfs/dbraw/zinc/85/02/98/1101850298.db2.gz LDLSHLWEOLKJNM-OTQAPUNGSA-N 0 0 334.357 2.806 10 5 EFBERN NC(=O)c1coc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001655662496 1101866689 /nfs/dbraw/zinc/86/66/89/1101866689.db2.gz WDXQWFMWLLBRND-UHFFFAOYSA-N 0 0 331.115 2.601 10 5 EFBERN Cc1ccc2oc(CNc3nccc(C(N)=O)c3[N+](=O)[O-])cc2c1 ZINC001655678296 1101869518 /nfs/dbraw/zinc/86/95/18/1101869518.db2.gz YXKBTDZHQXVXQI-UHFFFAOYSA-N 0 0 326.312 2.755 10 5 EFBERN O=[N+]([O-])c1ccc(-c2noc(CNC3([C@@H]4CCCCO4)CC3)n2)cc1 ZINC001655687062 1101874257 /nfs/dbraw/zinc/87/42/57/1101874257.db2.gz UMUYKAAUWPAJOP-AWEZNQCLSA-N 0 0 344.371 2.836 10 5 EFBERN COc1ccc(CNC(=O)c2cc(C)cc(Cl)n2)cc1[N+](=O)[O-] ZINC001125319615 1101889286 /nfs/dbraw/zinc/88/92/86/1101889286.db2.gz LHRDWBLMPAIENH-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc3[nH]ccc32)n1 ZINC001655789418 1101891135 /nfs/dbraw/zinc/89/11/35/1101891135.db2.gz IKYOOKHKQFVTNP-UHFFFAOYSA-N 0 0 326.312 2.870 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CCCN3CC(F)(F)F)nc2c1 ZINC001655831968 1101897245 /nfs/dbraw/zinc/89/72/45/1101897245.db2.gz AIMJYELCAKWWRG-SNVBAGLBSA-N 0 0 343.309 2.910 10 5 EFBERN COc1ccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC001125319922 1101900316 /nfs/dbraw/zinc/90/03/16/1101900316.db2.gz NURFRPAQKVOZHS-UHFFFAOYSA-N 0 0 330.340 2.850 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2c3ccccc3OC[C@@H]2F)c1[N+](=O)[O-] ZINC001655842659 1101900527 /nfs/dbraw/zinc/90/05/27/1101900527.db2.gz USZDPHTUCWQPED-WCQYABFASA-N 0 0 347.302 2.660 10 5 EFBERN C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001655840314 1101900631 /nfs/dbraw/zinc/90/06/31/1101900631.db2.gz RTUBJMNFSVFPEF-RISCZKNCSA-N 0 0 326.356 2.676 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001655859010 1101902514 /nfs/dbraw/zinc/90/25/14/1101902514.db2.gz IOSCOUKCEILBBD-LLVKDONJSA-N 0 0 329.316 2.677 10 5 EFBERN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CCS1(=O)=O ZINC001655887547 1101906164 /nfs/dbraw/zinc/90/61/64/1101906164.db2.gz OMBSOXHCJFLMOC-QWRGUYRKSA-N 0 0 335.385 2.521 10 5 EFBERN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CCS1(=O)=O ZINC001655887548 1101906748 /nfs/dbraw/zinc/90/67/48/1101906748.db2.gz OMBSOXHCJFLMOC-WDEREUQCSA-N 0 0 335.385 2.521 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@H](CO)c2ccccc2C(F)(F)F)nc1 ZINC001655884654 1101907157 /nfs/dbraw/zinc/90/71/57/1101907157.db2.gz VZGUTFFIDADZBT-LLVKDONJSA-N 0 0 328.250 2.549 10 5 EFBERN Cc1ccc(C(=O)N2Cc3ccccc3N(C)C(=O)C2)cc1[N+](=O)[O-] ZINC001167145506 1101909860 /nfs/dbraw/zinc/90/98/60/1101909860.db2.gz AXGJDGJZRFDWFR-UHFFFAOYSA-N 0 0 339.351 2.522 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](Nc3c([N+](=O)[O-])c(C)nn3CC)C2)n1 ZINC001655920539 1101910628 /nfs/dbraw/zinc/91/06/28/1101910628.db2.gz CDJOWLFHVRJILQ-WDEREUQCSA-N 0 0 334.380 2.813 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC2(CCOCC2)O1 ZINC001655911034 1101910910 /nfs/dbraw/zinc/91/09/10/1101910910.db2.gz CVWZWLDQTOAPNY-NSHDSACASA-N 0 0 337.332 2.643 10 5 EFBERN CCc1nn(C)c(NC[C@H](CC2CCCC2)C(=O)OC)c1[N+](=O)[O-] ZINC001655935105 1101911801 /nfs/dbraw/zinc/91/18/01/1101911801.db2.gz NVRXZJQRIJSYDZ-LBPRGKRZSA-N 0 0 338.408 2.672 10 5 EFBERN NC(=O)c1ccnc(NCC[C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001655923630 1101911884 /nfs/dbraw/zinc/91/18/84/1101911884.db2.gz IFOSBKVOJXKQNU-ZIAGYGMSSA-N 0 0 340.383 2.770 10 5 EFBERN COc1cnc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C)c2)[nH]c1=O ZINC001655929663 1101912420 /nfs/dbraw/zinc/91/24/20/1101912420.db2.gz DCVNLAOMKVZXED-CYBMUJFWSA-N 0 0 330.344 2.749 10 5 EFBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cnccn2)[C@H](C)C1 ZINC001655926604 1101912454 /nfs/dbraw/zinc/91/24/54/1101912454.db2.gz UXJLYMVPHIXPMT-ZIAGYGMSSA-N 0 0 327.388 2.657 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@H]2OCc3ccccc32)c1[N+](=O)[O-] ZINC001655951241 1101916677 /nfs/dbraw/zinc/91/66/77/1101916677.db2.gz VPOUOCDEOXNLHT-CQSZACIVSA-N 0 0 343.339 2.850 10 5 EFBERN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccc2cnccc2c1 ZINC001655982380 1101920031 /nfs/dbraw/zinc/92/00/31/1101920031.db2.gz YPWLHWKIQZDOOX-UHFFFAOYSA-N 0 0 332.319 2.901 10 5 EFBERN O=[N+]([O-])c1ncccc1CN1c2cccc3cccc(c23)S1(=O)=O ZINC001656053287 1101932208 /nfs/dbraw/zinc/93/22/08/1101932208.db2.gz CSGKEMBTSPDAFD-UHFFFAOYSA-N 0 0 341.348 2.852 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001656092828 1101946363 /nfs/dbraw/zinc/94/63/63/1101946363.db2.gz HBQWRCHCVOHDOY-ZDUSSCGKSA-N 0 0 327.402 2.882 10 5 EFBERN COC(=O)c1ccc(OCC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC001656131042 1101968970 /nfs/dbraw/zinc/96/89/70/1101968970.db2.gz LXDHWTMIRIVXFN-UHFFFAOYSA-N 0 0 343.335 2.962 10 5 EFBERN O=c1c2ccc([N+](=O)[O-])cc2ncn1CCOCc1ccccc1 ZINC001656187341 1101992957 /nfs/dbraw/zinc/99/29/57/1101992957.db2.gz VCAMUNCWBIBZPM-UHFFFAOYSA-N 0 0 325.324 2.522 10 5 EFBERN Cc1nn(C[C@H](C)NC(=O)OC(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC001656322000 1102033453 /nfs/dbraw/zinc/03/34/53/1102033453.db2.gz SHUWCZUBGSGGAG-VIFPVBQESA-N 0 0 335.364 2.561 10 5 EFBERN COc1cnc([C@H]2CCCN2Cc2cc(F)ccc2[N+](=O)[O-])[nH]c1=O ZINC001656410875 1102054815 /nfs/dbraw/zinc/05/48/15/1102054815.db2.gz JRZJSXFSCDPHFN-CYBMUJFWSA-N 0 0 348.334 2.575 10 5 EFBERN Cn1cc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)c([N+](=O)[O-])n1 ZINC001656470172 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ZINC001124551411 1118724669 /nfs/dbraw/zinc/72/46/69/1118724669.db2.gz ULHKGUWLDYHLKW-UHFFFAOYSA-N 0 0 343.364 2.916 10 5 EFBERN COc1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC001124861172 1119353100 /nfs/dbraw/zinc/35/31/00/1119353100.db2.gz HMZQWWSBIQHLNG-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN CC(C)[C@@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1=O ZINC000073091737 1120556198 /nfs/dbraw/zinc/55/61/98/1120556198.db2.gz IGHRRPKWKDZWIB-WBMJQRKESA-N 0 0 334.372 2.846 10 5 EFBERN C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000050535401 214059476 /nfs/dbraw/zinc/05/94/76/214059476.db2.gz DSEQXHDUHOGGBW-GHMZBOCLSA-N 0 0 347.396 2.968 10 5 EFBERN Nc1ccc(C(=O)Nc2ncc(Br)s2)cc1[N+](=O)[O-] ZINC000050704152 214067315 /nfs/dbraw/zinc/06/73/15/214067315.db2.gz ZKTIFLKTLDROBK-UHFFFAOYSA-N 0 0 343.162 2.648 10 5 EFBERN C[C@@H](NC(=O)c1ccco1)C(=O)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051503627 214095397 /nfs/dbraw/zinc/09/53/97/214095397.db2.gz SUZAYWXEZYMWKV-MRVPVSSYSA-N 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CC[C@@H](NC(=O)N(C)CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000153831053 529605235 /nfs/dbraw/zinc/60/52/35/529605235.db2.gz KPABFKJJDVQGPD-MRXNPFEDSA-N 0 0 345.403 2.974 10 5 EFBERN CC[C@@H](NC(=O)N1CCC[C@@H]1C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000129942864 529609512 /nfs/dbraw/zinc/60/95/12/529609512.db2.gz SGIZMQDZRDUHIU-XNRPHZJLSA-N 0 0 335.404 2.991 10 5 EFBERN CCc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000151381771 529600002 /nfs/dbraw/zinc/60/00/02/529600002.db2.gz PQNKIOCANGSQIH-YJBOKZPZSA-N 0 0 332.400 2.924 10 5 EFBERN CC[C@H](C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N1CCCC1=O ZINC000181736344 529628293 /nfs/dbraw/zinc/62/82/93/529628293.db2.gz NAHKUOMLCNNKDB-TZMCWYRMSA-N 0 0 334.372 2.908 10 5 EFBERN Cc1nnc([C@H](NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000098012887 219068967 /nfs/dbraw/zinc/06/89/67/219068967.db2.gz PRTWWRLNNOLUBA-WUKHSURWSA-N 0 0 329.360 2.548 10 5 EFBERN O=C(NCc1ccc(C2OCCO2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000058391734 214569450 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O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N(C[C@@H]1CCOC1)C1CC1 ZINC000102637768 219216570 /nfs/dbraw/zinc/21/65/70/219216570.db2.gz OXFSZECVIVUWLN-NSHDSACASA-N 0 0 329.356 2.717 10 5 EFBERN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000067650119 215174491 /nfs/dbraw/zinc/17/44/91/215174491.db2.gz WXLDYHDHLOZYGE-UHFFFAOYSA-N 0 0 345.233 2.928 10 5 EFBERN CCc1nc([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000067888502 215242888 /nfs/dbraw/zinc/24/28/88/215242888.db2.gz MNNVJZRCFAUZSE-LBPRGKRZSA-N 0 0 330.344 2.560 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)C(=O)CCC2 ZINC000068003741 215268920 /nfs/dbraw/zinc/26/89/20/215268920.db2.gz YCRGIDHONDYSMV-UHFFFAOYSA-N 0 0 347.352 2.588 10 5 EFBERN CC[C@H](NC(=O)NOCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000127234136 222813016 /nfs/dbraw/zinc/81/30/16/222813016.db2.gz RRMRWKMRUSOBKK-HNNXBMFYSA-N 0 0 330.344 2.872 10 5 EFBERN O=[N+]([O-])c1c(Oc2cccnc2)ncnc1-n1cnc2ccccc21 ZINC000040660469 213365001 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Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000040541929 213344546 /nfs/dbraw/zinc/34/45/46/213344546.db2.gz ZWOYYSOFEDNXQQ-UHFFFAOYSA-N 0 0 329.331 2.899 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cnn3c2CCCC3)cc1[N+](=O)[O-] ZINC000127395026 222834358 /nfs/dbraw/zinc/83/43/58/222834358.db2.gz GHZUXCXZRFJUTR-GFCCVEGCSA-N 0 0 328.372 2.927 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000181703932 234292484 /nfs/dbraw/zinc/29/24/84/234292484.db2.gz DQONAZOHJOFGGX-AWEZNQCLSA-N 0 0 334.372 2.709 10 5 EFBERN C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192655865 290983977 /nfs/dbraw/zinc/98/39/77/290983977.db2.gz XSFXSCTYFZVXBC-YVEFUNNKSA-N 0 0 341.367 2.660 10 5 EFBERN C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000353723424 146544917 /nfs/dbraw/zinc/54/49/17/146544917.db2.gz SUSQMUWHYUHRQD-SECBINFHSA-N 0 0 339.373 2.810 10 5 EFBERN Cc1ccc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])nc2C)o1 ZINC000127637876 222866930 /nfs/dbraw/zinc/86/69/30/222866930.db2.gz HAVYJRJZCCQEKT-CYBMUJFWSA-N 0 0 332.360 2.755 10 5 EFBERN C[C@@H](CNc1ncc([N+](=O)[O-])c(NC2CC2)n1)N(C)c1ccccc1 ZINC000040153664 213274051 /nfs/dbraw/zinc/27/40/51/213274051.db2.gz ZFQSFGZQRVNNRV-LBPRGKRZSA-N 0 0 342.403 2.896 10 5 EFBERN COc1cccc(CCNc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 ZINC000040153731 213274723 /nfs/dbraw/zinc/27/47/23/213274723.db2.gz CBGFYWDTDOJSIM-UHFFFAOYSA-N 0 0 329.360 2.622 10 5 EFBERN Cc1nc(NC(=O)c2cnn(CCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000183049839 234870794 /nfs/dbraw/zinc/87/07/94/234870794.db2.gz ABFVPTLHXLADEN-UHFFFAOYSA-N 0 0 343.265 2.699 10 5 EFBERN CC(C)c1nc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000105714976 219514452 /nfs/dbraw/zinc/51/44/52/219514452.db2.gz POGBMLFEQAXNGG-SNVBAGLBSA-N 0 0 339.373 2.777 10 5 EFBERN Cc1cc(S(C)(=O)=O)ccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000184434375 235397131 /nfs/dbraw/zinc/39/71/31/235397131.db2.gz STGAWISZCWGNLM-UHFFFAOYSA-N 0 0 334.397 2.961 10 5 EFBERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC000105856912 219561858 /nfs/dbraw/zinc/56/18/58/219561858.db2.gz UUGFKUTWGDCWRZ-HNNXBMFYSA-N 0 0 328.372 2.885 10 5 EFBERN C[C@H](NC(=O)c1ccccc1-n1ccnn1)c1ccccc1[N+](=O)[O-] ZINC000342662619 299249211 /nfs/dbraw/zinc/24/92/11/299249211.db2.gz WIVWTWITJDLKJZ-LBPRGKRZSA-N 0 0 337.339 2.667 10 5 EFBERN COC(=O)C(C)(C)NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037985447 213183745 /nfs/dbraw/zinc/18/37/45/213183745.db2.gz UJLDBGVEETWOTI-UHFFFAOYSA-N 0 0 335.143 2.583 10 5 EFBERN CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000037983978 213182434 /nfs/dbraw/zinc/18/24/34/213182434.db2.gz TXBNYCTUMXXTSN-VIFPVBQESA-N 0 0 345.193 2.854 10 5 EFBERN O=C(c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)N1CCCC[C@H]1CO ZINC000037984084 213182116 /nfs/dbraw/zinc/18/21/16/213182116.db2.gz VGRKSJZZWCAUPR-VIFPVBQESA-N 0 0 333.171 2.889 10 5 EFBERN O=C(c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1CO ZINC000037984083 213181951 /nfs/dbraw/zinc/18/19/51/213181951.db2.gz VGRKSJZZWCAUPR-SECBINFHSA-N 0 0 333.171 2.889 10 5 EFBERN Nc1nc2c(s1)CN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC000364546451 283273118 /nfs/dbraw/zinc/27/31/18/283273118.db2.gz WKGMANWKXUWYIX-UHFFFAOYSA-N 0 0 327.369 2.575 10 5 EFBERN O=[N+]([O-])c1cccc(-c2ccc(CN3CCO[C@]4(CCOC4)C3)o2)c1 ZINC000187546264 236242036 /nfs/dbraw/zinc/24/20/36/236242036.db2.gz YMAJUGSTKWKWGJ-GOSISDBHSA-N 0 0 344.367 2.846 10 5 EFBERN COCCn1ccc(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000187864073 236320738 /nfs/dbraw/zinc/32/07/38/236320738.db2.gz VGIOMZMPIBGRHD-GFCCVEGCSA-N 0 0 333.344 2.664 10 5 EFBERN CNC(=O)C[C@H](C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455417641 283334869 /nfs/dbraw/zinc/33/48/69/283334869.db2.gz QSEVKINUTXJXPT-JTQLQIEISA-N 0 0 336.392 2.538 10 5 EFBERN C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000188291649 236504816 /nfs/dbraw/zinc/50/48/16/236504816.db2.gz HKRNAPBCFXSMKY-VIFPVBQESA-N 0 0 342.804 2.778 10 5 EFBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cscn1 ZINC000071894245 215933769 /nfs/dbraw/zinc/93/37/69/215933769.db2.gz OMZWKZYFYPXGLE-UHFFFAOYSA-N 0 0 349.340 2.660 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000071896386 215935679 /nfs/dbraw/zinc/93/56/79/215935679.db2.gz VMRVRSOXTNKRRS-XMMPIXPASA-N 0 0 346.408 2.582 10 5 EFBERN COc1cccc(-c2n[nH]c(COc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000072236762 216076782 /nfs/dbraw/zinc/07/67/82/216076782.db2.gz XQHUBRWPTBKVSF-UHFFFAOYSA-N 0 0 326.312 2.968 10 5 EFBERN COc1ccc(-c2nnc(COc3cccc([N+](=O)[O-])c3)[nH]2)cc1 ZINC000072236759 216076896 /nfs/dbraw/zinc/07/68/96/216076896.db2.gz BXSXWPJFGXNPMY-UHFFFAOYSA-N 0 0 326.312 2.968 10 5 EFBERN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000106844116 219706245 /nfs/dbraw/zinc/70/62/45/219706245.db2.gz YIXYTSLKLQWCPH-GFCCVEGCSA-N 0 0 333.369 2.579 10 5 EFBERN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000159574467 291218426 /nfs/dbraw/zinc/21/84/26/291218426.db2.gz MGTDMMVJVVLVJX-ZDUSSCGKSA-N 0 0 329.356 2.806 10 5 EFBERN CC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(C)onc2C[C@]1(C)O ZINC000000082228 209408423 /nfs/dbraw/zinc/40/84/23/209408423.db2.gz QFIOBYZYLDTUAR-ZACQAIPSSA-N 0 0 330.340 2.535 10 5 EFBERN O=C([C@@H]1CCCOCC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000362596645 296022830 /nfs/dbraw/zinc/02/28/30/296022830.db2.gz PCOJAHRVKWOINX-MLGOLLRUSA-N 0 0 336.413 2.986 10 5 EFBERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190089491 238206604 /nfs/dbraw/zinc/20/66/04/238206604.db2.gz RAUAXKVUCRTUOT-GWCFXTLKSA-N 0 0 338.751 2.906 10 5 EFBERN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(O)c1 ZINC000130544646 223160691 /nfs/dbraw/zinc/16/06/91/223160691.db2.gz FSJVQNVUVOOMNO-SECBINFHSA-N 0 0 329.312 2.804 10 5 EFBERN CCn1cc(OS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000190271666 238350159 /nfs/dbraw/zinc/35/01/59/238350159.db2.gz VAIXOFQEAHKNFJ-UHFFFAOYSA-N 0 0 345.764 2.541 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@@]2(CCO)CCOC2)cc1C(F)(F)F ZINC000131683156 223257830 /nfs/dbraw/zinc/25/78/30/223257830.db2.gz ZULMZOSJADQKOB-CYBMUJFWSA-N 0 0 334.294 2.815 10 5 EFBERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191413019 239097816 /nfs/dbraw/zinc/09/78/16/239097816.db2.gz HZGWCSGUFFMFKV-LBPRGKRZSA-N 0 0 344.375 2.768 10 5 EFBERN O=[N+]([O-])c1cnn(CCSCc2noc(Cc3ccccc3)n2)c1 ZINC000162298535 239085782 /nfs/dbraw/zinc/08/57/82/239085782.db2.gz HJCBBCAQMLVEQL-UHFFFAOYSA-N 0 0 345.384 2.699 10 5 EFBERN Cn1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000163597203 239109566 /nfs/dbraw/zinc/10/95/66/239109566.db2.gz ZXBQKQWCCVJMSW-UHFFFAOYSA-N 0 0 343.265 2.669 10 5 EFBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178324709 239406484 /nfs/dbraw/zinc/40/64/84/239406484.db2.gz LFSUCQVTSYGTGE-VXGBXAGGSA-N 0 0 341.367 2.699 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1cn(C)nc1C(F)(F)F ZINC000192709610 239846730 /nfs/dbraw/zinc/84/67/30/239846730.db2.gz LOXLCUJQNRMPHP-UHFFFAOYSA-N 0 0 346.313 2.508 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000191624671 239998482 /nfs/dbraw/zinc/99/84/82/239998482.db2.gz KOGOAVOCWFOETN-CYBMUJFWSA-N 0 0 346.362 2.655 10 5 EFBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191720673 240002289 /nfs/dbraw/zinc/00/22/89/240002289.db2.gz ISBGKNCJCBSBOW-UHFFFAOYSA-N 0 0 341.371 2.955 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)n1 ZINC000191776618 240006185 /nfs/dbraw/zinc/00/61/85/240006185.db2.gz UTFPXJGEOPCXGU-AWEZNQCLSA-N 0 0 346.362 2.798 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2cccc(OC)c2)n1 ZINC000191762464 240006474 /nfs/dbraw/zinc/00/64/74/240006474.db2.gz AHUSQWHWNBERLK-AWEZNQCLSA-N 0 0 344.371 2.797 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3cccc(C)c23)n1 ZINC000191801856 240009096 /nfs/dbraw/zinc/00/90/96/240009096.db2.gz LDDQOTHYQJWOBB-UHFFFAOYSA-N 0 0 341.371 2.573 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)n1 ZINC000191953137 240013600 /nfs/dbraw/zinc/01/36/00/240013600.db2.gz JOQQITAIDYKPPV-UHFFFAOYSA-N 0 0 346.391 2.909 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)n1 ZINC000191954328 240013876 /nfs/dbraw/zinc/01/38/76/240013876.db2.gz VJGCVUYXLVCOKI-UHFFFAOYSA-N 0 0 346.372 2.824 10 5 EFBERN O=c1c([N+](=O)[O-])c(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)nc2ccccn21 ZINC000132454473 223332288 /nfs/dbraw/zinc/33/22/88/223332288.db2.gz WFVKTYHIJLPALS-IIAWOOMASA-N 0 0 348.362 2.601 10 5 EFBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000075137169 216574763 /nfs/dbraw/zinc/57/47/63/216574763.db2.gz FYSFFLIZGNWVKU-CXAGYDPISA-N 0 0 349.346 2.722 10 5 EFBERN O=C(CNc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193398444 240103725 /nfs/dbraw/zinc/10/37/25/240103725.db2.gz KQUCOMWGDPFGAG-SNVBAGLBSA-N 0 0 331.294 2.808 10 5 EFBERN CCC[C@@]1(COC)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194131671 240141711 /nfs/dbraw/zinc/14/17/11/240141711.db2.gz YFSPOHZSGHJYLY-ZDUSSCGKSA-N 0 0 348.446 2.626 10 5 EFBERN C[C@@H]1COCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000194018483 240136662 /nfs/dbraw/zinc/13/66/62/240136662.db2.gz SZYIRAWDZURQKL-PSASIEDQSA-N 0 0 330.287 2.807 10 5 EFBERN COc1ccc(CNc2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000195045137 240200354 /nfs/dbraw/zinc/20/03/54/240200354.db2.gz DWFHMSXFTDVTIS-UHFFFAOYSA-N 0 0 325.328 2.796 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000195324613 240219459 /nfs/dbraw/zinc/21/94/59/240219459.db2.gz CJPZEPJBDPIJPU-NSHDSACASA-N 0 0 339.351 2.889 10 5 EFBERN Cc1ccc(NC2=CC(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000021945404 212264924 /nfs/dbraw/zinc/26/49/24/212264924.db2.gz UEBPNMDICNOVGB-UHFFFAOYSA-N 0 0 337.335 2.768 10 5 EFBERN O=C(Nc1nncn1C1CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000356184493 242062824 /nfs/dbraw/zinc/06/28/24/242062824.db2.gz KBWBVEWVDQXJCO-UHFFFAOYSA-N 0 0 345.362 2.860 10 5 EFBERN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109815708 219995021 /nfs/dbraw/zinc/99/50/21/219995021.db2.gz NVUXBTCGAFIFJI-CQSZACIVSA-N 0 0 331.397 2.894 10 5 EFBERN COc1ccc(Oc2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000232312558 242274035 /nfs/dbraw/zinc/27/40/35/242274035.db2.gz KUXYKSVMINJUCS-UHFFFAOYSA-N 0 0 326.106 2.948 10 5 EFBERN Cc1cc(NCCCn2ccnn2)c(Br)cc1[N+](=O)[O-] ZINC000235879374 242284930 /nfs/dbraw/zinc/28/49/30/242284930.db2.gz SFRMOCOOAKEQPD-UHFFFAOYSA-N 0 0 340.181 2.759 10 5 EFBERN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC2(C1)CCCOC2 ZINC000367289688 242376370 /nfs/dbraw/zinc/37/63/70/242376370.db2.gz BYADQJWOSJQPLB-UHFFFAOYSA-N 0 0 348.402 2.934 10 5 EFBERN COc1cccc(C(=O)N2CCOC[C@@H]2CC2CCC2)c1[N+](=O)[O-] ZINC000410997662 242680683 /nfs/dbraw/zinc/68/06/83/242680683.db2.gz OTOHAJJXVLIASU-ZDUSSCGKSA-N 0 0 334.372 2.635 10 5 EFBERN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000411109007 242712479 /nfs/dbraw/zinc/71/24/79/242712479.db2.gz FMQJWMSXHDFXID-LBPRGKRZSA-N 0 0 348.378 2.755 10 5 EFBERN Cc1cc(NC(=O)C(=O)N[C@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000411336778 242797225 /nfs/dbraw/zinc/79/72/25/242797225.db2.gz RURYGTKFCPXUCY-YIZWMMSDSA-N 0 0 331.372 2.537 10 5 EFBERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000411340608 242797922 /nfs/dbraw/zinc/79/79/22/242797922.db2.gz XVHHAOJBXKAOGQ-LLVKDONJSA-N 0 0 341.314 2.536 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000411366570 242805029 /nfs/dbraw/zinc/80/50/29/242805029.db2.gz YLZDESLOWNLRTB-AWEZNQCLSA-N 0 0 345.399 2.965 10 5 EFBERN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cc(-c3ccco3)on1)CC2 ZINC000411477742 242849201 /nfs/dbraw/zinc/84/92/01/242849201.db2.gz JARJEDBYECXXRY-UHFFFAOYSA-N 0 0 326.312 2.796 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1(F)CCC1 ZINC000411540691 242863231 /nfs/dbraw/zinc/86/32/31/242863231.db2.gz WZBVYIUAQBAQFA-UHFFFAOYSA-N 0 0 337.351 2.549 10 5 EFBERN Cc1ccc(CN(C)C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000020922716 212188468 /nfs/dbraw/zinc/18/84/68/212188468.db2.gz WTYSWNCOHPLSOJ-GQCTYLIASA-N 0 0 344.323 2.897 10 5 EFBERN CS(=O)(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000242178843 243012896 /nfs/dbraw/zinc/01/28/96/243012896.db2.gz XBIOSFFTBSFRLN-INIZCTEOSA-N 0 0 345.380 2.706 10 5 EFBERN Cc1cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[nH]n1 ZINC000412206064 243201726 /nfs/dbraw/zinc/20/17/26/243201726.db2.gz MPMRLFVTMSLRRC-NSHDSACASA-N 0 0 346.387 2.775 10 5 EFBERN COc1cnccc1[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412271838 243239347 /nfs/dbraw/zinc/23/93/47/243239347.db2.gz CZSUXGLWUKONSM-KNXALSJPSA-N 0 0 341.367 2.979 10 5 EFBERN CC(C)(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000412235990 243219934 /nfs/dbraw/zinc/21/99/34/243219934.db2.gz UEEFQDLAHKJPML-VVLHAWIVSA-N 0 0 346.427 2.954 10 5 EFBERN Cc1cccnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412375335 243295313 /nfs/dbraw/zinc/29/53/13/243295313.db2.gz GHVBSJOVEBHTMT-JKSUJKDBSA-N 0 0 325.368 2.761 10 5 EFBERN CCOC(=O)[C@H](CC)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000412378266 243296831 /nfs/dbraw/zinc/29/68/31/243296831.db2.gz LQOZHDKXUMYASN-GOEBONIOSA-N 0 0 348.399 2.890 10 5 EFBERN CCn1nncc1COc1ccc([N+](=O)[O-])cc1Br ZINC000412991585 243410102 /nfs/dbraw/zinc/41/01/02/243410102.db2.gz ISGLTCVRUFEOJF-UHFFFAOYSA-N 0 0 327.138 2.548 10 5 EFBERN CC(C)N(C[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000413583625 243741164 /nfs/dbraw/zinc/74/11/64/243741164.db2.gz BFFHOKHNQXFVKM-LBPRGKRZSA-N 0 0 328.372 2.636 10 5 EFBERN CN(C)c1ncccc1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413584296 243743029 /nfs/dbraw/zinc/74/30/29/243743029.db2.gz IOMZTQZUPICACH-LSDHHAIUSA-N 0 0 340.383 2.822 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000413956191 243932696 /nfs/dbraw/zinc/93/26/96/243932696.db2.gz MLJQPSKWZCEIFN-APPDUMDISA-N 0 0 336.388 2.927 10 5 EFBERN Cn1ccnc1[C@H](N[C@@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414337153 244092336 /nfs/dbraw/zinc/09/23/36/244092336.db2.gz KNWHNNKJXPKEPC-FRFSOERESA-N 0 0 344.415 2.558 10 5 EFBERN C[C@H](O)[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596941 244249890 /nfs/dbraw/zinc/24/98/90/244249890.db2.gz VRDGBGXNXMAZMZ-LRDDRELGSA-N 0 0 348.424 2.905 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1CN1CC(CO)(c2ccccc2)C1 ZINC000414551592 244227165 /nfs/dbraw/zinc/22/71/65/244227165.db2.gz PPKJHXZTWLIWAH-UHFFFAOYSA-N 0 0 342.395 2.739 10 5 EFBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000411114081 296169472 /nfs/dbraw/zinc/16/94/72/296169472.db2.gz NFOZIRMFHHXZNG-IUCAKERBSA-N 0 0 332.303 2.944 10 5 EFBERN Cc1cccc(C(=O)N2CCO[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000110874089 220073861 /nfs/dbraw/zinc/07/38/61/220073861.db2.gz BNFYYOPPCSESRR-LBPRGKRZSA-N 0 0 333.369 2.573 10 5 EFBERN Cc1sc(C(=O)N2CCO[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000110880170 220074710 /nfs/dbraw/zinc/07/47/10/220074710.db2.gz HITYHISDYYYWJX-JTQLQIEISA-N 0 0 339.398 2.635 10 5 EFBERN O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc(F)ccc1[N+](=O)[O-] ZINC000185361891 284360212 /nfs/dbraw/zinc/36/02/12/284360212.db2.gz NVSUBAHKXWLZOQ-AWEZNQCLSA-N 0 0 332.287 2.802 10 5 EFBERN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111650378 220175213 /nfs/dbraw/zinc/17/52/13/220175213.db2.gz HQSUBLQTKVYVPZ-NSHDSACASA-N 0 0 347.758 2.979 10 5 EFBERN O=[N+]([O-])c1cnn(CCN2CCc3c2cccc3Br)c1 ZINC000420975287 245774405 /nfs/dbraw/zinc/77/44/05/245774405.db2.gz QEKCGHBTWCFIGE-UHFFFAOYSA-N 0 0 337.177 2.617 10 5 EFBERN C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000421083688 245848822 /nfs/dbraw/zinc/84/88/22/245848822.db2.gz FNOWTJDKMUDTLV-PSASIEDQSA-N 0 0 347.293 2.991 10 5 EFBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]12CCOC2 ZINC000422077307 296206362 /nfs/dbraw/zinc/20/63/62/296206362.db2.gz UYZCSLAFGFBVTM-ZDUSSCGKSA-N 0 0 330.262 2.619 10 5 EFBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C2CC2)CC1 ZINC000266241542 296206436 /nfs/dbraw/zinc/20/64/36/296206436.db2.gz FLIODKAEWVUTPE-UHFFFAOYSA-N 0 0 343.305 2.534 10 5 EFBERN C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000421478842 245989333 /nfs/dbraw/zinc/98/93/33/245989333.db2.gz PSPREISZKHAOBU-CYBMUJFWSA-N 0 0 330.388 2.571 10 5 EFBERN CCc1nc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)no1 ZINC000421539194 246011302 /nfs/dbraw/zinc/01/13/02/246011302.db2.gz IPCRFICLAPNWBL-UHFFFAOYSA-N 0 0 332.360 2.822 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1c2c(nn1C)CCCC2 ZINC000421549392 246012412 /nfs/dbraw/zinc/01/24/12/246012412.db2.gz DTPHXWWNKQSDRE-UHFFFAOYSA-N 0 0 342.399 2.754 10 5 EFBERN C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccnn1C ZINC000421545941 246013425 /nfs/dbraw/zinc/01/34/25/246013425.db2.gz AVIGXIGUIIZDCV-HIFRSBDPSA-N 0 0 342.399 2.838 10 5 EFBERN COc1cc(C(=O)NC[C@H]2CC23CCSCC3)ccc1[N+](=O)[O-] ZINC000421594405 246027745 /nfs/dbraw/zinc/02/77/45/246027745.db2.gz YSQTWGBIXJBHOZ-GFCCVEGCSA-N 0 0 336.413 2.867 10 5 EFBERN CC[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000421662401 246054509 /nfs/dbraw/zinc/05/45/09/246054509.db2.gz LEACLXQOHNIUMM-GJZGRUSLSA-N 0 0 347.415 2.882 10 5 EFBERN Cc1sc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000082983984 217507602 /nfs/dbraw/zinc/50/76/02/217507602.db2.gz LZGSECYEWZNFJI-NSHDSACASA-N 0 0 339.417 2.519 10 5 EFBERN CC(C)(C)c1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)nc1 ZINC000421795039 246121085 /nfs/dbraw/zinc/12/10/85/246121085.db2.gz GDDGQOAXEOVGOJ-UHFFFAOYSA-N 0 0 340.383 2.881 10 5 EFBERN Nc1c(C(=O)NC[C@@H]2CC23CCSCC3)cc(F)cc1[N+](=O)[O-] ZINC000421907271 246160434 /nfs/dbraw/zinc/16/04/34/246160434.db2.gz CONGUXDRQJCOTL-VIFPVBQESA-N 0 0 339.392 2.579 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000421965586 246188869 /nfs/dbraw/zinc/18/88/69/246188869.db2.gz OQFFPEQHVAJKOZ-VIFPVBQESA-N 0 0 334.298 2.616 10 5 EFBERN C[C@@H]1CC[C@H](O)CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000422003204 246211188 /nfs/dbraw/zinc/21/11/88/246211188.db2.gz IUCBDJYHGUGENU-MFKMUULPSA-N 0 0 347.396 2.704 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC2(CCC(O)CC2)CC1 ZINC000452262888 296217196 /nfs/dbraw/zinc/21/71/96/296217196.db2.gz SFHVSCSTUHXCJI-UHFFFAOYSA-N 0 0 336.363 2.891 10 5 EFBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](O)CC12CCC2 ZINC000422016838 246218919 /nfs/dbraw/zinc/21/89/19/246218919.db2.gz HFHKSXKLXXOCSJ-INIZCTEOSA-N 0 0 347.415 2.693 10 5 EFBERN C[C@@H]1CC[C@H](O)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422049841 246239002 /nfs/dbraw/zinc/23/90/02/246239002.db2.gz YZOPGBKMCLILKT-KOLCDFICSA-N 0 0 344.820 2.712 10 5 EFBERN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@]12CCOC2 ZINC000422078181 246253709 /nfs/dbraw/zinc/25/37/09/246253709.db2.gz CAZKJKJPTOPGOF-MRXNPFEDSA-N 0 0 345.380 2.723 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000264341789 246375810 /nfs/dbraw/zinc/37/58/10/246375810.db2.gz PVMCLUGISUCLNP-UHFFFAOYSA-N 0 0 348.403 2.544 10 5 EFBERN Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809516 217648267 /nfs/dbraw/zinc/64/82/67/217648267.db2.gz KLPPCNCLZFXHFP-GFCCVEGCSA-N 0 0 345.355 2.741 10 5 EFBERN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000424889207 246896363 /nfs/dbraw/zinc/89/63/63/246896363.db2.gz PLNXXCCLCHHHDR-UHFFFAOYSA-N 0 0 326.299 2.719 10 5 EFBERN COc1cccc(N2CC[C@@H](c3nc(C4CC4)no3)C2)c1[N+](=O)[O-] ZINC000425254342 247017899 /nfs/dbraw/zinc/01/78/99/247017899.db2.gz NCRSDCPYSVIBTQ-LLVKDONJSA-N 0 0 330.344 2.858 10 5 EFBERN Cc1nc(NC[C@H](CC(C)C)C(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC000425263283 247020775 /nfs/dbraw/zinc/02/07/75/247020775.db2.gz BDRZVRXLYRLOKK-LBPRGKRZSA-N 0 0 338.408 2.531 10 5 EFBERN Cn1cc([C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000425230128 247007106 /nfs/dbraw/zinc/00/71/06/247007106.db2.gz CQZYKNOWMZTRDS-CQSZACIVSA-N 0 0 331.376 2.627 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@H](C)[C@](C)(OC)C2CC2)c1[N+](=O)[O-] ZINC000413508638 284526539 /nfs/dbraw/zinc/52/65/39/284526539.db2.gz DGQOCFALNUPZRU-HWPZZCPQSA-N 0 0 337.376 2.700 10 5 EFBERN COC(=O)c1cnc(N[C@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000425277154 247027183 /nfs/dbraw/zinc/02/71/83/247027183.db2.gz XBXIXZYCWNZFBW-BBRMVZONSA-N 0 0 331.303 2.826 10 5 EFBERN C[C@]1(c2ccccc2)CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000264963618 247091876 /nfs/dbraw/zinc/09/18/76/247091876.db2.gz NZKCVTJMAQBYSU-SFHVURJKSA-N 0 0 340.383 2.647 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(cn1)OCCO2 ZINC000425616305 247149083 /nfs/dbraw/zinc/14/90/83/247149083.db2.gz BTQYDBOMXFADRW-UHFFFAOYSA-N 0 0 329.312 2.576 10 5 EFBERN COc1ccnc(N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000425624629 247150984 /nfs/dbraw/zinc/15/09/84/247150984.db2.gz VRJNRVFDKFXBRS-SNVBAGLBSA-N 0 0 333.319 2.904 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CC12CC2 ZINC000425522402 247119485 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CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)n1 ZINC000427333469 247339632 /nfs/dbraw/zinc/33/96/32/247339632.db2.gz ZQGITTYBXVYKHC-IUCAKERBSA-N 0 0 334.298 2.614 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2ccccc2)n1 ZINC000427116484 247318745 /nfs/dbraw/zinc/31/87/45/247318745.db2.gz WRDNNECXENNGAI-UHFFFAOYSA-N 0 0 340.343 2.558 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2ccc(O)cc2C1 ZINC000427623877 247373267 /nfs/dbraw/zinc/37/32/67/247373267.db2.gz PYSKAGVWVDCXKF-UHFFFAOYSA-N 0 0 342.351 2.654 10 5 EFBERN COc1ccc(CNc2ccc(N3CCCC3)cn2)cc1[N+](=O)[O-] ZINC000427554047 247363964 /nfs/dbraw/zinc/36/39/64/247363964.db2.gz FAUHJKDONCIBRS-UHFFFAOYSA-N 0 0 328.372 2.633 10 5 EFBERN O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3)o2)cc1CO ZINC000428072449 247433349 /nfs/dbraw/zinc/43/33/49/247433349.db2.gz CLOFMOOSFSEIDA-UHFFFAOYSA-N 0 0 327.296 2.716 10 5 EFBERN Cn1cc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428094795 247435455 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COc1cc([N+](=O)[O-])ccc1CN[C@@](C)(c1noc(C)n1)C1CC1 ZINC000433306965 248041199 /nfs/dbraw/zinc/04/11/99/248041199.db2.gz UAUUSPYVIRPCCF-MRXNPFEDSA-N 0 0 332.360 2.710 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN[C@](C)(c1noc(C)n1)C1CC1 ZINC000433308462 248041245 /nfs/dbraw/zinc/04/12/45/248041245.db2.gz YPZYWVSYWUSEGB-INIZCTEOSA-N 0 0 332.360 2.710 10 5 EFBERN O=C(CCOCC1CC1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000433692430 248080977 /nfs/dbraw/zinc/08/09/77/248080977.db2.gz BTYFFSDZBNBRPY-UHFFFAOYSA-N 0 0 330.344 2.536 10 5 EFBERN CC(=O)N(C)c1ccccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433774795 248088042 /nfs/dbraw/zinc/08/80/42/248088042.db2.gz NRFPFFGEUBFIKZ-UHFFFAOYSA-N 0 0 345.359 2.676 10 5 EFBERN Cc1nc2[nH]ccc2c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000433798706 248090038 /nfs/dbraw/zinc/09/00/38/248090038.db2.gz KGZDDQXEFQESCV-UHFFFAOYSA-N 0 0 338.371 2.501 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)s1 ZINC000433466818 248063613 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EFBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nccs1 ZINC000187144898 296283374 /nfs/dbraw/zinc/28/33/74/296283374.db2.gz MNNBCXBKMJMVCL-JTQLQIEISA-N 0 0 334.357 2.519 10 5 EFBERN CCc1cnc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000441352429 250021598 /nfs/dbraw/zinc/02/15/98/250021598.db2.gz DXGOYTGVRPIVKX-UHFFFAOYSA-N 0 0 346.456 2.978 10 5 EFBERN CCOC(=O)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000441300793 250017506 /nfs/dbraw/zinc/01/75/06/250017506.db2.gz GJVAZSCMDXFSTL-UHFFFAOYSA-N 0 0 326.324 2.538 10 5 EFBERN CCCC(=O)N[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092708212 218162112 /nfs/dbraw/zinc/16/21/12/218162112.db2.gz NLBYNORJNLAKTM-DXWDOBMASA-N 0 0 331.416 2.989 10 5 EFBERN Cc1c(NC(=O)CN2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000010341214 211167485 /nfs/dbraw/zinc/16/74/85/211167485.db2.gz WFWMIRSZEWWBIU-UHFFFAOYSA-N 0 0 331.397 2.962 10 5 EFBERN CC1(C)CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000442755227 250111730 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O=[N+]([O-])c1ccc(N2CCC(CO)(Cc3ccccc3)CC2)cn1 ZINC000443951485 250239695 /nfs/dbraw/zinc/23/96/95/250239695.db2.gz XYJWCVXSJIVZLL-UHFFFAOYSA-N 0 0 327.384 2.811 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CNc3ncnc4c(F)cccc34)nc2c1 ZINC000443963761 250241026 /nfs/dbraw/zinc/24/10/26/250241026.db2.gz OSTWLOKUIISPSC-UHFFFAOYSA-N 0 0 338.302 2.587 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000443761646 250224237 /nfs/dbraw/zinc/22/42/37/250224237.db2.gz SRKDGQVFTCZOKF-NVXWUHKLSA-N 0 0 346.408 2.645 10 5 EFBERN COc1cccc(C(=O)Nc2ccc(OCCO)c(C)c2)c1[N+](=O)[O-] ZINC000444370877 250294137 /nfs/dbraw/zinc/29/41/37/250294137.db2.gz JXIYJEMOVCLQDT-UHFFFAOYSA-N 0 0 346.339 2.535 10 5 EFBERN CCC[C@@]1(CO)CCCN1C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000444540143 250309783 /nfs/dbraw/zinc/30/97/83/250309783.db2.gz GEXJBLWZFHLHHM-KRWDZBQOSA-N 0 0 336.388 2.761 10 5 EFBERN COc1cccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1F ZINC000444645702 250321394 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O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc(Cl)c2)c1 ZINC000095433722 218376700 /nfs/dbraw/zinc/37/67/00/218376700.db2.gz NWEZRYNNBYXOGS-UHFFFAOYSA-N 0 0 340.788 2.868 10 5 EFBERN C[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000095434789 218377802 /nfs/dbraw/zinc/37/78/02/218377802.db2.gz SSHZMSAOPPIZEA-IUODEOHRSA-N 0 0 341.367 2.511 10 5 EFBERN CCOCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000096010752 218513129 /nfs/dbraw/zinc/51/31/29/218513129.db2.gz XDFIXBIPILZWKD-UHFFFAOYSA-N 0 0 346.181 2.824 10 5 EFBERN C[C@H]1Cc2cccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2O1 ZINC000449107935 250918994 /nfs/dbraw/zinc/91/89/94/250918994.db2.gz PFAMQCFSJDOKDO-LBPRGKRZSA-N 0 0 341.367 2.760 10 5 EFBERN O=[N+]([O-])c1cccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000449420662 251022061 /nfs/dbraw/zinc/02/20/61/251022061.db2.gz JZARQFDWADVHIQ-ROUUACIJSA-N 0 0 330.359 2.895 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000267417349 251040261 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Cc1ccccc1[C@H](C)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269039659 255518879 /nfs/dbraw/zinc/51/88/79/255518879.db2.gz LSMJOGSVFJILDX-ZDUSSCGKSA-N 0 0 331.376 2.502 10 5 EFBERN C[C@H](NC(=O)NCc1nn(C)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000454754582 255581490 /nfs/dbraw/zinc/58/14/90/255581490.db2.gz GIRHUTLMZRBDPU-VIFPVBQESA-N 0 0 337.767 2.542 10 5 EFBERN C[C@H](F)CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000455047536 255595707 /nfs/dbraw/zinc/59/57/07/255595707.db2.gz KYRPBIZRBFPEDD-LBPRGKRZSA-N 0 0 339.367 2.896 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC(CF)CF ZINC000455408989 255614103 /nfs/dbraw/zinc/61/41/03/255614103.db2.gz ZVDWULONELPCNT-UHFFFAOYSA-N 0 0 338.108 2.786 10 5 EFBERN CC(C)[C@H]1C[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000456167536 255627612 /nfs/dbraw/zinc/62/76/12/255627612.db2.gz YSGAPVLAQUGOII-CZUORRHYSA-N 0 0 335.404 2.574 10 5 EFBERN CCCc1ncc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)o1 ZINC000456522087 255645944 /nfs/dbraw/zinc/64/59/44/255645944.db2.gz CZPYZDVKDVHEKK-UHFFFAOYSA-N 0 0 328.328 2.947 10 5 EFBERN CCc1ccc(C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000456692314 255655486 /nfs/dbraw/zinc/65/54/86/255655486.db2.gz MRWBUHPTSLUINR-AAEUAGOBSA-N 0 0 346.305 2.543 10 5 EFBERN CC(C)CCc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)nc1 ZINC000456780171 255660360 /nfs/dbraw/zinc/66/03/60/255660360.db2.gz IWPVMAQAFRPKDW-UHFFFAOYSA-N 0 0 330.344 2.931 10 5 EFBERN Cc1c(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116477056 220966935 /nfs/dbraw/zinc/96/69/35/220966935.db2.gz BLFBMMCEVZLZMG-LBPRGKRZSA-N 0 0 329.360 2.658 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@H](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458496565 255742398 /nfs/dbraw/zinc/74/23/98/255742398.db2.gz IFBMMYLXOFSRRM-BBRMVZONSA-N 0 0 335.404 2.850 10 5 EFBERN CCOC[C@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000458090870 255725100 /nfs/dbraw/zinc/72/51/00/255725100.db2.gz OZHKVFBDIKIYKI-LLVKDONJSA-N 0 0 342.342 2.833 10 5 EFBERN COc1cccc(N2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000117179896 221034522 /nfs/dbraw/zinc/03/45/22/221034522.db2.gz BXVMAVOXWLDDDI-LBPRGKRZSA-N 0 0 345.355 2.595 10 5 EFBERN O=C(NCCC1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468433389 256016558 /nfs/dbraw/zinc/01/65/58/256016558.db2.gz WICCNFUDHUFWIL-UHFFFAOYSA-N 0 0 333.388 2.948 10 5 EFBERN Cn1cc(CNc2nc3sccn3c2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000119028048 221226476 /nfs/dbraw/zinc/22/64/76/221226476.db2.gz XLFKYKWFRXQAMI-UHFFFAOYSA-N 0 0 346.294 2.668 10 5 EFBERN Cc1noc(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000119657538 221368991 /nfs/dbraw/zinc/36/89/91/221368991.db2.gz KRICZMZDBDYTFT-UHFFFAOYSA-N 0 0 332.360 2.556 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000177867453 533225984 /nfs/dbraw/zinc/22/59/84/533225984.db2.gz GABMBPQHEIUBSN-YVEFUNNKSA-N 0 0 349.387 2.762 10 5 EFBERN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000160812376 533289322 /nfs/dbraw/zinc/28/93/22/533289322.db2.gz CDZQVICVIHTHAV-SECBINFHSA-N 0 0 332.287 2.954 10 5 EFBERN COC(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000187576020 533388525 /nfs/dbraw/zinc/38/85/25/533388525.db2.gz GSPOWEANKJDAIJ-ZDUSSCGKSA-N 0 0 334.372 2.743 10 5 EFBERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000190087770 533544387 /nfs/dbraw/zinc/54/43/87/533544387.db2.gz QNEGHRFHOIRIMA-SKDRFNHKSA-N 0 0 340.286 2.531 10 5 EFBERN COc1cc(C(=O)N[C@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000172961420 533552198 /nfs/dbraw/zinc/55/21/98/533552198.db2.gz RSTAQMQGFZTQJG-CYBMUJFWSA-N 0 0 344.367 2.939 10 5 EFBERN COc1cc(C(=O)Nc2nnc(C3CCC3)[nH]2)cc([N+](=O)[O-])c1C ZINC000190231093 533559759 /nfs/dbraw/zinc/55/97/59/533559759.db2.gz YDIDZXFZUKKPHI-UHFFFAOYSA-N 0 0 331.332 2.550 10 5 EFBERN C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000187157497 533635115 /nfs/dbraw/zinc/63/51/15/533635115.db2.gz CPIUJECIRCXDMA-JQWIXIFHSA-N 0 0 331.328 2.902 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@](C)(F)C2)c1C ZINC000451601744 291994185 /nfs/dbraw/zinc/99/41/85/291994185.db2.gz VLUJBDJTIUTIBI-CQSZACIVSA-N 0 0 330.381 2.724 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2CCOc3cccc1c32 ZINC000374497015 291995195 /nfs/dbraw/zinc/99/51/95/291995195.db2.gz OKCHXXYBAPVXLG-UHFFFAOYSA-N 0 0 339.351 2.762 10 5 EFBERN Cc1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])c(C)c1 ZINC000040609817 132403554 /nfs/dbraw/zinc/40/35/54/132403554.db2.gz NTHRHUQOKKPJHO-UHFFFAOYSA-N 0 0 329.360 2.582 10 5 EFBERN CCN(CC)c1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000040608040 132403807 /nfs/dbraw/zinc/40/38/07/132403807.db2.gz NCYYCCGFPBDISD-UHFFFAOYSA-N 0 0 327.388 2.794 10 5 EFBERN CCn1cnnc1C1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000091014167 132822518 /nfs/dbraw/zinc/82/25/18/132822518.db2.gz QSSMLNIJYLKWAE-UHFFFAOYSA-N 0 0 349.366 2.738 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119579318 141362656 /nfs/dbraw/zinc/36/26/56/141362656.db2.gz CGPAOKCQTMZMRG-KZULUSFZSA-N 0 0 343.383 2.843 10 5 EFBERN O=C(CN1CCC[C@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000195355829 141379837 /nfs/dbraw/zinc/37/98/37/141379837.db2.gz AHCMIHLWMUHFMU-LBPRGKRZSA-N 0 0 346.412 2.869 10 5 EFBERN Cc1csc([C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000195394992 141380267 /nfs/dbraw/zinc/38/02/67/141380267.db2.gz DUOZRDZLXQIPLT-HNNXBMFYSA-N 0 0 349.412 2.812 10 5 EFBERN C[C@@H](F)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000338753139 141671390 /nfs/dbraw/zinc/67/13/90/141671390.db2.gz HSRJWAVNXBLKFE-SECBINFHSA-N 0 0 340.742 2.954 10 5 EFBERN Cc1cc(C)c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(=O)[nH]1 ZINC000338878522 141689998 /nfs/dbraw/zinc/68/99/98/141689998.db2.gz XKGZRAYMVBOUKG-UHFFFAOYSA-N 0 0 340.339 2.724 10 5 EFBERN Cc1ccc(C(=O)NCCCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000340128977 141746347 /nfs/dbraw/zinc/74/63/47/141746347.db2.gz ZXVLQKRUTAKJHW-UHFFFAOYSA-N 0 0 332.360 2.772 10 5 EFBERN COc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340397478 141794512 /nfs/dbraw/zinc/79/45/12/141794512.db2.gz UADUZBOVLLJQQB-INIZCTEOSA-N 0 0 327.340 2.880 10 5 EFBERN COC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000341645145 141844085 /nfs/dbraw/zinc/84/40/85/141844085.db2.gz ZWYCQFKXQFUDNM-OAHLLOKOSA-N 0 0 343.383 2.819 10 5 EFBERN C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CO1 ZINC000341709079 141854215 /nfs/dbraw/zinc/85/42/15/141854215.db2.gz BLYSGALJXDUABJ-HTQZYQBOSA-N 0 0 329.150 2.721 10 5 EFBERN CCOc1cc(N[C@H](CO)C[C@@H](O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000343068625 141931172 /nfs/dbraw/zinc/93/11/72/141931172.db2.gz CNYMPEBYJKLMQW-SWLSCSKDSA-N 0 0 326.393 2.563 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cc(C)no1 ZINC000343119567 141940198 /nfs/dbraw/zinc/94/01/98/141940198.db2.gz RHGHEKGJQWZIOQ-AWEZNQCLSA-N 0 0 331.372 2.819 10 5 EFBERN O=[N+]([O-])c1ccc(NCCS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000344435172 142016288 /nfs/dbraw/zinc/01/62/88/142016288.db2.gz OKXCPJCCMHOAMF-UHFFFAOYSA-N 0 0 341.776 2.529 10 5 EFBERN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000344437996 142016879 /nfs/dbraw/zinc/01/68/79/142016879.db2.gz RZVJLXMORXORLL-CQSZACIVSA-N 0 0 346.774 2.885 10 5 EFBERN COC(=O)c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c[nH]1 ZINC000344478093 142024709 /nfs/dbraw/zinc/02/47/09/142024709.db2.gz WCZMXSOGBXGKRL-UHFFFAOYSA-N 0 0 343.339 2.514 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)n1 ZINC000344594290 142045714 /nfs/dbraw/zinc/04/57/14/142045714.db2.gz SANPKXHRFQLSSN-UHFFFAOYSA-N 0 0 344.249 2.522 10 5 EFBERN Cc1nc(-c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)oc1C ZINC000344598208 142046593 /nfs/dbraw/zinc/04/65/93/142046593.db2.gz ZPXCUOWCVMIBCW-UHFFFAOYSA-N 0 0 341.327 2.852 10 5 EFBERN Cc1nc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000344670148 142058740 /nfs/dbraw/zinc/05/87/40/142058740.db2.gz COTRUSGARCYBGN-UHFFFAOYSA-N 0 0 329.341 2.798 10 5 EFBERN CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(F)(F)F ZINC000344696534 142062995 /nfs/dbraw/zinc/06/29/95/142062995.db2.gz AVWHTXNLJRSZLJ-NSHDSACASA-N 0 0 335.282 2.744 10 5 EFBERN CCOc1ccc(C(=O)N2CCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000344746609 142072015 /nfs/dbraw/zinc/07/20/15/142072015.db2.gz JCHLZHBISGQPNS-OCCSQVGLSA-N 0 0 336.388 2.759 10 5 EFBERN COc1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1 ZINC000344783622 142077101 /nfs/dbraw/zinc/07/71/01/142077101.db2.gz YDOOHFJUTUJAAU-UHFFFAOYSA-N 0 0 339.145 2.576 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2(F)CCC2)cc1C ZINC000344912768 142096326 /nfs/dbraw/zinc/09/63/26/142096326.db2.gz YQDIYQCCKVECRS-UHFFFAOYSA-N 0 0 330.381 2.772 10 5 EFBERN Cn1c(C(=O)NCc2ccccc2OC2CCC2)ccc1[N+](=O)[O-] ZINC000344936472 142100098 /nfs/dbraw/zinc/10/00/98/142100098.db2.gz FINRCKMAESGEPE-UHFFFAOYSA-N 0 0 329.356 2.795 10 5 EFBERN COC1CCC(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000344936195 142100289 /nfs/dbraw/zinc/10/02/89/142100289.db2.gz FHVJJQYANIKFKS-UHFFFAOYSA-N 0 0 342.417 2.615 10 5 EFBERN CC(C)(COCC(F)F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000345004393 142110783 /nfs/dbraw/zinc/11/07/83/142110783.db2.gz AITCWAAXOCTMNZ-UHFFFAOYSA-N 0 0 330.331 2.561 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cc(OC)c(C)c2C)n1 ZINC000345960897 142124424 /nfs/dbraw/zinc/12/44/24/142124424.db2.gz MLSURPCDEQDUDH-UHFFFAOYSA-N 0 0 332.360 2.997 10 5 EFBERN Nc1c(C(=O)Nc2csc(-c3ccccn3)n2)cccc1[N+](=O)[O-] ZINC000346020852 142134594 /nfs/dbraw/zinc/13/45/94/142134594.db2.gz XCFXUEGMCBAFHA-UHFFFAOYSA-N 0 0 341.352 2.948 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1OCc1cc(-c2cnn(C)c2)no1 ZINC000346197898 142165758 /nfs/dbraw/zinc/16/57/58/142165758.db2.gz SJPSXROKMDMPRQ-UHFFFAOYSA-N 0 0 342.311 2.765 10 5 EFBERN Cc1ccc([C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000346293738 142184606 /nfs/dbraw/zinc/18/46/06/142184606.db2.gz YECVJRWLYYIMMH-KRWDZBQOSA-N 0 0 343.383 2.642 10 5 EFBERN CSC[C@@H](C)Nc1nc(N[C@H](C)CSC)c([N+](=O)[O-])s1 ZINC000346435703 142204328 /nfs/dbraw/zinc/20/43/28/142204328.db2.gz VLPBJCUGJNSXEY-HTQZYQBOSA-N 0 0 336.508 2.800 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000347424316 142214067 /nfs/dbraw/zinc/21/40/67/142214067.db2.gz AURXNNOGCICFEF-JTQLQIEISA-N 0 0 346.318 2.624 10 5 EFBERN Cc1c(Br)c(N[C@@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000347429985 142215304 /nfs/dbraw/zinc/21/53/04/142215304.db2.gz MPXZORKOEHDAHK-SNVBAGLBSA-N 0 0 343.225 2.955 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000347437385 142216261 /nfs/dbraw/zinc/21/62/61/142216261.db2.gz RXKXKKPTDMKVAJ-LBPRGKRZSA-N 0 0 342.355 2.793 10 5 EFBERN Cn1c(=O)ccc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc21 ZINC000347573990 142238649 /nfs/dbraw/zinc/23/86/49/142238649.db2.gz BDCAHFYXKMBING-UHFFFAOYSA-N 0 0 337.335 2.628 10 5 EFBERN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1Nc1ccccc1 ZINC000347732695 142264068 /nfs/dbraw/zinc/26/40/68/142264068.db2.gz KJZSDZNYPVELFG-UHFFFAOYSA-N 0 0 338.327 2.569 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3SCCc4ccccc43)nn21 ZINC000347886576 142287480 /nfs/dbraw/zinc/28/74/80/142287480.db2.gz JALXCCLJHWHHMF-ZDUSSCGKSA-N 0 0 341.396 2.502 10 5 EFBERN CN(CCCOc1ccccc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347919133 142292526 /nfs/dbraw/zinc/29/25/26/142292526.db2.gz ISYDNCWJYXFTAW-UHFFFAOYSA-N 0 0 327.344 2.543 10 5 EFBERN Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc(C)n1 ZINC000348004838 142307498 /nfs/dbraw/zinc/30/74/98/142307498.db2.gz SQZUKSJRRSWNPP-UHFFFAOYSA-N 0 0 326.356 2.806 10 5 EFBERN COC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000349327750 142321140 /nfs/dbraw/zinc/32/11/40/142321140.db2.gz WNHJBYSVFJWICV-ZDUSSCGKSA-N 0 0 334.397 2.952 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2ccccc2S1 ZINC000349472277 142332626 /nfs/dbraw/zinc/33/26/26/142332626.db2.gz GNPIUFQCXIWTLR-MRXNPFEDSA-N 0 0 328.393 2.971 10 5 EFBERN CCc1ncnc(CC)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000349678458 142348027 /nfs/dbraw/zinc/34/80/27/142348027.db2.gz JSFFFTQPAFWUMO-UHFFFAOYSA-N 0 0 328.372 2.748 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000349801234 142360665 /nfs/dbraw/zinc/36/06/65/142360665.db2.gz NFGBPLMBLWEOPZ-HNNXBMFYSA-N 0 0 326.356 2.917 10 5 EFBERN CCn1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc2cccnc21 ZINC000349866166 142369707 /nfs/dbraw/zinc/36/97/07/142369707.db2.gz DIHIFURMJYSRTD-UHFFFAOYSA-N 0 0 325.328 2.920 10 5 EFBERN Cn1cc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cn1 ZINC000349880495 142372160 /nfs/dbraw/zinc/37/21/60/142372160.db2.gz SIRDCBUSOZUBRK-UHFFFAOYSA-N 0 0 337.242 2.647 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(-c3cccc(-n4cncn4)c3)n2)c1 ZINC000349884089 142373323 /nfs/dbraw/zinc/37/33/23/142373323.db2.gz UKJZPSVAARXFIC-UHFFFAOYSA-N 0 0 334.295 2.893 10 5 EFBERN O=C(COc1c(Cl)cncc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000349948620 142381957 /nfs/dbraw/zinc/38/19/57/142381957.db2.gz QMHPVGVCTJKNDV-UHFFFAOYSA-N 0 0 336.687 2.634 10 5 EFBERN Cc1nc(CN2CCN(Cc3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000349966107 142384341 /nfs/dbraw/zinc/38/43/41/142384341.db2.gz PVBPSDILDIFHKB-UHFFFAOYSA-N 0 0 338.458 2.739 10 5 EFBERN Cc1ccc(SC[C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000350206613 142408756 /nfs/dbraw/zinc/40/87/56/142408756.db2.gz IDWRKROHDLOSOD-NSHDSACASA-N 0 0 334.401 2.547 10 5 EFBERN Cc1ccc(CN(C)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)o1 ZINC000182614633 292097308 /nfs/dbraw/zinc/09/73/08/292097308.db2.gz HQUVDPFKIUGOOK-MRXNPFEDSA-N 0 0 343.339 2.648 10 5 EFBERN CCCc1occc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337017651 143762380 /nfs/dbraw/zinc/76/23/80/143762380.db2.gz NJDRIIQJXADUKT-LBPRGKRZSA-N 0 0 344.371 2.862 10 5 EFBERN O=C(Cc1ccccc1)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000337823446 143818221 /nfs/dbraw/zinc/81/82/21/143818221.db2.gz RUDHXJPURAXZGR-MRXNPFEDSA-N 0 0 340.383 2.635 10 5 EFBERN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](CO)CC3CCCC3)cc2N1 ZINC000337835148 143821076 /nfs/dbraw/zinc/82/10/76/143821076.db2.gz XGCKXGCTOMXSKA-CYBMUJFWSA-N 0 0 333.388 2.833 10 5 EFBERN O=[N+]([O-])c1cccc(S(=O)(=O)Cc2nc(C3CCCC3)no2)c1 ZINC000337897244 143834911 /nfs/dbraw/zinc/83/49/11/143834911.db2.gz MLYOZSKURPAUCA-UHFFFAOYSA-N 0 0 337.357 2.609 10 5 EFBERN O=C(CSc1cccc([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000337920655 143839655 /nfs/dbraw/zinc/83/96/55/143839655.db2.gz ZETOOCHDDDYVIN-GJZGRUSLSA-N 0 0 336.413 2.857 10 5 EFBERN Cc1cc(C(=O)NCCc2cnc(C3CC3)nc2)cc([N+](=O)[O-])c1 ZINC000339465227 144775832 /nfs/dbraw/zinc/77/58/32/144775832.db2.gz VQPQGQYYVNGFCY-UHFFFAOYSA-N 0 0 326.356 2.543 10 5 EFBERN Cc1ccc(C(=O)NCCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000339468436 144776755 /nfs/dbraw/zinc/77/67/55/144776755.db2.gz ODIPGXOGZLJNLX-UHFFFAOYSA-N 0 0 326.356 2.543 10 5 EFBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000340629623 144905740 /nfs/dbraw/zinc/90/57/40/144905740.db2.gz ZORZVPRIFYIPMZ-JTQLQIEISA-N 0 0 343.368 2.728 10 5 EFBERN O=C([O-])[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOC1 ZINC000340686269 144916920 /nfs/dbraw/zinc/91/69/20/144916920.db2.gz XSTJOIVKJLAQDR-MRXNPFEDSA-N 0 0 348.380 2.657 10 5 EFBERN COc1cccc2c1[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])CC2 ZINC000340798860 144934691 /nfs/dbraw/zinc/93/46/91/144934691.db2.gz QCDGOHFPWVIZGX-HNNXBMFYSA-N 0 0 340.379 2.992 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)cn1 ZINC000341032613 144976547 /nfs/dbraw/zinc/97/65/47/144976547.db2.gz HABIEXQCUAWFML-KRWDZBQOSA-N 0 0 331.347 2.560 10 5 EFBERN COc1cccc(OCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000341287858 145027147 /nfs/dbraw/zinc/02/71/47/145027147.db2.gz LOECMVQHIHTIFF-GFCCVEGCSA-N 0 0 330.340 2.860 10 5 EFBERN COc1ccccc1OCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341306312 145030439 /nfs/dbraw/zinc/03/04/39/145030439.db2.gz RMCCMWNKPWLXLL-GFCCVEGCSA-N 0 0 330.340 2.860 10 5 EFBERN C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1[N+](=O)[O-] ZINC000341329693 145034214 /nfs/dbraw/zinc/03/42/14/145034214.db2.gz SFGXLHLHKPYZAK-LLVKDONJSA-N 0 0 339.351 2.971 10 5 EFBERN C[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)c1ccccc1[N+](=O)[O-] ZINC000341329304 145034292 /nfs/dbraw/zinc/03/42/92/145034292.db2.gz PFALOYJIJQODLS-GFCCVEGCSA-N 0 0 337.339 2.667 10 5 EFBERN CC(C)CCn1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000341330419 145034507 /nfs/dbraw/zinc/03/45/07/145034507.db2.gz XOFNEYTZIBEIKH-GFCCVEGCSA-N 0 0 331.376 2.723 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)n1 ZINC000341362706 145039680 /nfs/dbraw/zinc/03/96/80/145039680.db2.gz DDMBIEZSLFGMHL-ZFWWWQNUSA-N 0 0 340.383 2.900 10 5 EFBERN Cc1nc(N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000341384265 145043276 /nfs/dbraw/zinc/04/32/76/145043276.db2.gz GRWMCNDUDPXUDW-ZFWWWQNUSA-N 0 0 340.383 2.900 10 5 EFBERN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC(=O)N1Cc1ccccc1 ZINC000341413596 145048017 /nfs/dbraw/zinc/04/80/17/145048017.db2.gz UWTBRDQEGALMRA-WFASDCNBSA-N 0 0 326.356 2.591 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000342258207 145089243 /nfs/dbraw/zinc/08/92/43/145089243.db2.gz MBQQHWCTPWZUSC-GXTWGEPZSA-N 0 0 345.399 2.746 10 5 EFBERN CCCC[C@H](COC)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342261653 145089533 /nfs/dbraw/zinc/08/95/33/145089533.db2.gz IDAVQSRPOIKFBG-SNVBAGLBSA-N 0 0 330.331 2.737 10 5 EFBERN C[C@H](NCC(=O)NCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000342298202 145095556 /nfs/dbraw/zinc/09/55/56/145095556.db2.gz LBEHDUVNTWUZJQ-LBPRGKRZSA-N 0 0 331.347 2.701 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(cccc3Cl)[nH]2)n1 ZINC000342367283 145110123 /nfs/dbraw/zinc/11/01/23/145110123.db2.gz FLIZSEAXSIVUGG-UHFFFAOYSA-N 0 0 334.723 2.593 10 5 EFBERN C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000342392066 145115934 /nfs/dbraw/zinc/11/59/34/145115934.db2.gz IFLLAXUEQBOHDR-GFCCVEGCSA-N 0 0 346.362 2.581 10 5 EFBERN CCCC[C@H](COC)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000342408937 145118740 /nfs/dbraw/zinc/11/87/40/145118740.db2.gz CEDAJVGFCQWYQG-LLVKDONJSA-N 0 0 325.365 2.702 10 5 EFBERN Cc1cnc([C@H](C)Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)s1 ZINC000342475989 145134503 /nfs/dbraw/zinc/13/45/03/145134503.db2.gz DGYIIVSZCOAZDV-QMMMGPOBSA-N 0 0 331.357 2.604 10 5 EFBERN C[C@@H](NC(=O)c1cnc2ccccc2c1O)c1ccccc1[N+](=O)[O-] ZINC000342488308 145136822 /nfs/dbraw/zinc/13/68/22/145136822.db2.gz HQARQILBRMDHPU-LLVKDONJSA-N 0 0 337.335 2.927 10 5 EFBERN COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000342496256 145138334 /nfs/dbraw/zinc/13/83/34/145138334.db2.gz SSHUVJKFQOYRSJ-SNVBAGLBSA-N 0 0 345.355 2.817 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCc1cccc(F)c1F ZINC000342522482 145142501 /nfs/dbraw/zinc/14/25/01/145142501.db2.gz JJRIBCYBEVVTBW-UHFFFAOYSA-N 0 0 347.277 2.932 10 5 EFBERN COC(=O)c1cc(C)nc(Nc2cnn(CC(C)C)c2C)c1[N+](=O)[O-] ZINC000342552658 145147894 /nfs/dbraw/zinc/14/78/94/145147894.db2.gz WKRAIDQJBRWUBA-UHFFFAOYSA-N 0 0 347.375 2.989 10 5 EFBERN COc1ccc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000342554673 145148327 /nfs/dbraw/zinc/14/83/27/145148327.db2.gz JMTGTVGCIRBFGE-NSHDSACASA-N 0 0 348.330 2.999 10 5 EFBERN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1[C@H](C)C1CC1 ZINC000342613060 145159749 /nfs/dbraw/zinc/15/97/49/145159749.db2.gz CLLVWXZOMZANIM-SNVBAGLBSA-N 0 0 332.335 2.884 10 5 EFBERN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000342635698 145162876 /nfs/dbraw/zinc/16/28/76/145162876.db2.gz JSGWRPAFGPBNME-ZDUSSCGKSA-N 0 0 342.399 2.982 10 5 EFBERN Cc1cc(=NC(=O)COc2ccccc2[N+](=O)[O-])[nH]n1[C@@H](C)C1CC1 ZINC000342634445 145163045 /nfs/dbraw/zinc/16/30/45/145163045.db2.gz PCRCJOFEQFZRCY-LBPRGKRZSA-N 0 0 344.371 2.510 10 5 EFBERN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC2(C1)Oc1ccccc1O2 ZINC000342636980 145163403 /nfs/dbraw/zinc/16/34/03/145163403.db2.gz UKQNHUXNVFLOTM-UHFFFAOYSA-N 0 0 344.298 2.748 10 5 EFBERN Cc1nc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cs1 ZINC000342666720 145169571 /nfs/dbraw/zinc/16/95/71/145169571.db2.gz MZGGDLJURXNNDJ-UHFFFAOYSA-N 0 0 341.339 2.539 10 5 EFBERN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H](CO)c2ccccc2)s1 ZINC000342817183 145200219 /nfs/dbraw/zinc/20/02/19/145200219.db2.gz NBAUKZVUDBBSES-NSHDSACASA-N 0 0 330.369 2.788 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000342824474 145202129 /nfs/dbraw/zinc/20/21/29/145202129.db2.gz DOCWOVJEMLZLIO-JXQTWKCFSA-N 0 0 345.399 2.845 10 5 EFBERN Cn1c(CNc2ncnc3sc([N+](=O)[O-])cc32)nnc1C1CCC1 ZINC000342844691 145207011 /nfs/dbraw/zinc/20/70/11/145207011.db2.gz WULCTGNPQQGMTG-UHFFFAOYSA-N 0 0 345.388 2.608 10 5 EFBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCOC[C@@H]1C ZINC000342872275 145213174 /nfs/dbraw/zinc/21/31/74/145213174.db2.gz PLTONGXXNAYMMT-WDEREUQCSA-N 0 0 326.780 2.959 10 5 EFBERN COc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1CO ZINC000342896904 145218046 /nfs/dbraw/zinc/21/80/46/145218046.db2.gz ILSUQTQPJUATRL-UHFFFAOYSA-N 0 0 341.323 2.829 10 5 EFBERN COC[C@@](C)(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)C(F)(F)F ZINC000342929945 145223533 /nfs/dbraw/zinc/22/35/33/145223533.db2.gz SMNIXUIBMQXOPP-CYBMUJFWSA-N 0 0 345.277 2.773 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H]2CC(C)(C)OC2(C)C)c1[N+](=O)[O-] ZINC000342936641 145225111 /nfs/dbraw/zinc/22/51/11/145225111.db2.gz DHVNJDLCJVWEDE-LLVKDONJSA-N 0 0 337.376 2.843 10 5 EFBERN CCOc1ccc(C(=O)Nc2n[nH]c3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000342956021 145228913 /nfs/dbraw/zinc/22/89/13/145228913.db2.gz NKILMGUBAZJZRN-UHFFFAOYSA-N 0 0 344.302 2.683 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)cn1 ZINC000343571456 145241305 /nfs/dbraw/zinc/24/13/05/145241305.db2.gz IZIFGBQOUIHMQP-UHFFFAOYSA-N 0 0 349.394 2.992 10 5 EFBERN CCC(=O)c1ccc(N[C@@H](C)C2(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000343585893 145245594 /nfs/dbraw/zinc/24/55/94/145245594.db2.gz DCLAUSISVRUNLG-JTQLQIEISA-N 0 0 340.401 2.565 10 5 EFBERN C[C@H]1c2ccccc2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343601588 145249337 /nfs/dbraw/zinc/24/93/37/145249337.db2.gz HCIBNLAPGAOEIH-ZFWWWQNUSA-N 0 0 328.368 2.911 10 5 EFBERN C[C@@H]1c2ccccc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343601587 145249351 /nfs/dbraw/zinc/24/93/51/145249351.db2.gz HCIBNLAPGAOEIH-UKRRQHHQSA-N 0 0 328.368 2.911 10 5 EFBERN CN(C[C@H]1CC=CCC1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343603716 145250279 /nfs/dbraw/zinc/25/02/79/145250279.db2.gz GKRMXXZJCMOYHW-ZDUSSCGKSA-N 0 0 346.383 2.723 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343606847 145251305 /nfs/dbraw/zinc/25/13/05/145251305.db2.gz DVYHVCJNISNQGV-JKSUJKDBSA-N 0 0 341.342 2.817 10 5 EFBERN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1(S(C)(=O)=O)CC1 ZINC000343637887 145259309 /nfs/dbraw/zinc/25/93/09/145259309.db2.gz YUTNTGHVECUHRH-JTQLQIEISA-N 0 0 335.385 2.521 10 5 EFBERN CC(C)[C@@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000343638833 145259357 /nfs/dbraw/zinc/25/93/57/145259357.db2.gz KBIWOYPYGLMLOP-BMIGLBTASA-N 0 0 342.342 2.735 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCOCC12CCCC2 ZINC000343667729 145267203 /nfs/dbraw/zinc/26/72/03/145267203.db2.gz NAZPNXDERFDXIM-UHFFFAOYSA-N 0 0 340.326 2.587 10 5 EFBERN Cc1cc(NC(=O)c2ocnc2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000343756853 145287422 /nfs/dbraw/zinc/28/74/22/145287422.db2.gz FPRCDKZFQJTYEH-UHFFFAOYSA-N 0 0 338.323 2.991 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000343786291 145294654 /nfs/dbraw/zinc/29/46/54/145294654.db2.gz KJOZXAJQIAZVBJ-UHFFFAOYSA-N 0 0 340.339 2.926 10 5 EFBERN CCOc1ccc(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000343905748 145321657 /nfs/dbraw/zinc/32/16/57/145321657.db2.gz KOOHTCABWSZZNY-QWHCGFSZSA-N 0 0 336.388 2.929 10 5 EFBERN O=c1[nH]c(N2CCC=C(c3ccncc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000343907187 145321843 /nfs/dbraw/zinc/32/18/43/145321843.db2.gz GCTRFBNANBBIGW-UHFFFAOYSA-N 0 0 349.350 2.932 10 5 EFBERN COc1cccc2c1[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 ZINC000344018626 145347326 /nfs/dbraw/zinc/34/73/26/145347326.db2.gz TZSVQGJNCMHWPN-INIZCTEOSA-N 0 0 340.379 2.992 10 5 EFBERN COC1(c2ccccc2)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344095037 145366899 /nfs/dbraw/zinc/36/68/99/145366899.db2.gz DXRBBRGRXRPVIS-UHFFFAOYSA-N 0 0 330.315 2.732 10 5 EFBERN CSC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000344145090 145378810 /nfs/dbraw/zinc/37/88/10/145378810.db2.gz DNRIBGKZFFEOIO-UHFFFAOYSA-N 0 0 330.356 2.817 10 5 EFBERN Cc1nc(CC2CC2)sc1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344196945 145389789 /nfs/dbraw/zinc/38/97/89/145389789.db2.gz GWYVPJNGTOBYHK-UHFFFAOYSA-N 0 0 332.385 2.984 10 5 EFBERN Cc1cnn(-c2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)cc2)c1 ZINC000344199212 145390493 /nfs/dbraw/zinc/39/04/93/145390493.db2.gz MHIJXIZIVGCVNO-UHFFFAOYSA-N 0 0 337.339 2.761 10 5 EFBERN CCCN(C(=O)CO[C@@H](C)c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000344202369 145391464 /nfs/dbraw/zinc/39/14/64/145391464.db2.gz ZGTWDRWYSXUSOY-ZDUSSCGKSA-N 0 0 346.387 2.849 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCC(F)(F)C1 ZINC000344206371 145392816 /nfs/dbraw/zinc/39/28/16/145392816.db2.gz GSZSLBXUOTUXRQ-QMMMGPOBSA-N 0 0 334.269 2.967 10 5 EFBERN C[C@@H](Cn1ncc2ccccc21)C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344217503 145394597 /nfs/dbraw/zinc/39/45/97/145394597.db2.gz VZVSDWHPPXKIFZ-LBPRGKRZSA-N 0 0 339.355 2.639 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](c1cccnc1)C1CC1 ZINC000345117923 145467494 /nfs/dbraw/zinc/46/74/94/145467494.db2.gz XEHNRDWNDXBJBG-MRXNPFEDSA-N 0 0 347.396 2.957 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)CO[C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000345371433 145524623 /nfs/dbraw/zinc/52/46/23/145524623.db2.gz NINMVEMBALZGDA-OLZOCXBDSA-N 0 0 346.387 2.592 10 5 EFBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCSC1 ZINC000345856442 145637161 /nfs/dbraw/zinc/63/71/61/145637161.db2.gz LVPMBHQNCNPTOH-VIFPVBQESA-N 0 0 330.356 2.675 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000346601344 145673871 /nfs/dbraw/zinc/67/38/71/145673871.db2.gz NFMSNROGAIVCJA-SNVBAGLBSA-N 0 0 330.793 2.944 10 5 EFBERN CCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c1C ZINC000346665644 145690002 /nfs/dbraw/zinc/69/00/02/145690002.db2.gz OVXOAMAXAILJHC-UHFFFAOYSA-N 0 0 337.763 2.731 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc(CC2CC(OC(C)(C)C)C2)n1 ZINC000347104510 145790406 /nfs/dbraw/zinc/79/04/06/145790406.db2.gz BZPLBEPRGDLYRU-UHFFFAOYSA-N 0 0 335.364 2.515 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CC[C@H](C(F)(F)F)C2)n1 ZINC000347141281 145798903 /nfs/dbraw/zinc/79/89/03/145798903.db2.gz VBWUFWYFYGXXNY-RQJHMYQMSA-N 0 0 331.254 2.824 10 5 EFBERN CCNC(=O)[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347167830 145805397 /nfs/dbraw/zinc/80/53/97/145805397.db2.gz NCPUHYJAJXBRIQ-SNVBAGLBSA-N 0 0 336.392 2.538 10 5 EFBERN CC(C)c1noc(CCCNc2ncnc3cccc([N+](=O)[O-])c32)n1 ZINC000347399448 145859618 /nfs/dbraw/zinc/85/96/18/145859618.db2.gz KJOFKQJMRWZBTL-UHFFFAOYSA-N 0 0 342.359 2.511 10 5 EFBERN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H](COC)Cc1ccccc1 ZINC000349060284 146045682 /nfs/dbraw/zinc/04/56/82/146045682.db2.gz ZJMGYYNFQDQMER-AWEZNQCLSA-N 0 0 332.356 2.908 10 5 EFBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1cnn(C)c1 ZINC000349129741 146057134 /nfs/dbraw/zinc/05/71/34/146057134.db2.gz MZWLYQRYIAIAOX-QMMMGPOBSA-N 0 0 342.277 2.838 10 5 EFBERN CO[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000350683055 146080394 /nfs/dbraw/zinc/08/03/94/146080394.db2.gz DYYQQJGLWVAASO-LSDHHAIUSA-N 0 0 343.383 2.970 10 5 EFBERN C[C@H](NC(=O)N1CCCCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000350953836 146103241 /nfs/dbraw/zinc/10/32/41/146103241.db2.gz XBTXMMWBBNZCAY-DZGCQCFKSA-N 0 0 335.404 2.992 10 5 EFBERN O=[N+]([O-])c1ccc(NCCC2CCS(=O)(=O)CC2)c2ncccc12 ZINC000351503730 146133330 /nfs/dbraw/zinc/13/33/30/146133330.db2.gz XJVUIQIMXDOISP-UHFFFAOYSA-N 0 0 349.412 2.770 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](CO)c1cccnc1 ZINC000351533956 146139655 /nfs/dbraw/zinc/13/96/55/146139655.db2.gz DSYNOFVHNQCUDO-CQSZACIVSA-N 0 0 344.371 2.504 10 5 EFBERN C[C@@H](NC(=O)CCC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000351540031 146141524 /nfs/dbraw/zinc/14/15/24/146141524.db2.gz USAMHARAAVNDPO-GFCCVEGCSA-N 0 0 327.340 2.830 10 5 EFBERN COc1cc(OCC(=O)N[C@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000351684464 146176913 /nfs/dbraw/zinc/17/69/13/146176913.db2.gz QQPVZXWWWXFYKX-YIZWMMSDSA-N 0 0 334.372 2.677 10 5 EFBERN CC[C@@H]1CCCCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000351711887 146184690 /nfs/dbraw/zinc/18/46/90/146184690.db2.gz LECHZJWSTDQFIJ-OAHLLOKOSA-N 0 0 347.415 2.896 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCCO ZINC000351780211 146202420 /nfs/dbraw/zinc/20/24/20/146202420.db2.gz DSSNZFWOFDLRIB-UHFFFAOYSA-N 0 0 326.418 2.941 10 5 EFBERN COc1cc(CSc2nnc(N(C)C)s2)ccc1[N+](=O)[O-] ZINC000351821138 146210994 /nfs/dbraw/zinc/21/09/94/146210994.db2.gz INSXEOUPJZCYQS-UHFFFAOYSA-N 0 0 326.403 2.813 10 5 EFBERN COc1cc(Cn2cnc3cccc(F)c3c2=O)ccc1[N+](=O)[O-] ZINC000351826035 146212038 /nfs/dbraw/zinc/21/20/38/146212038.db2.gz DEBJQSYTGZZMTK-UHFFFAOYSA-N 0 0 329.287 2.501 10 5 EFBERN COc1cc(Cn2nc(-c3ccccc3)ccc2=O)ccc1[N+](=O)[O-] ZINC000351827302 146212365 /nfs/dbraw/zinc/21/23/65/146212365.db2.gz GSESXYCNUHOAJM-UHFFFAOYSA-N 0 0 337.335 2.875 10 5 EFBERN COc1cc(Cn2c(=O)onc2-c2cccs2)ccc1[N+](=O)[O-] ZINC000351828292 146212775 /nfs/dbraw/zinc/21/27/75/146212775.db2.gz WYVARWKFCCVLTN-UHFFFAOYSA-N 0 0 333.325 2.530 10 5 EFBERN COc1cc(COc2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000351840912 146215338 /nfs/dbraw/zinc/21/53/38/146215338.db2.gz HWBKQRFEDNQMDM-UHFFFAOYSA-N 0 0 337.353 2.586 10 5 EFBERN COc1cc(COc2ccc(N(C)C(N)=O)cc2)ccc1[N+](=O)[O-] ZINC000351899239 146230019 /nfs/dbraw/zinc/23/00/19/146230019.db2.gz SUYHXRMCVUFOJK-UHFFFAOYSA-N 0 0 331.328 2.697 10 5 EFBERN COc1cc(Cn2cc(NC(=O)C(C)(C)C)cn2)ccc1[N+](=O)[O-] ZINC000351901971 146231142 /nfs/dbraw/zinc/23/11/42/146231142.db2.gz ILPVMWXODQPJOV-UHFFFAOYSA-N 0 0 332.360 2.833 10 5 EFBERN COc1cc(CN2CCC(c3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000351985276 146255939 /nfs/dbraw/zinc/25/59/39/146255939.db2.gz UPIFMXBIONGDCY-UHFFFAOYSA-N 0 0 332.360 2.674 10 5 EFBERN COC(=O)c1cc(C(C)(C)NCc2cccc([N+](=O)[O-])c2C)no1 ZINC000352027331 146268774 /nfs/dbraw/zinc/26/87/74/146268774.db2.gz KGFRIFCUVBYFQK-UHFFFAOYSA-N 0 0 333.344 2.703 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(CN[C@H](CO)c3ccsc3)n2)c1 ZINC000352033275 146271713 /nfs/dbraw/zinc/27/17/13/146271713.db2.gz RUGDQFDUPUINJH-CYBMUJFWSA-N 0 0 346.368 2.530 10 5 EFBERN CNC(=O)c1cc(C)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352036367 146272216 /nfs/dbraw/zinc/27/22/16/146272216.db2.gz YUYVICORZYISEM-UHFFFAOYSA-N 0 0 329.356 2.884 10 5 EFBERN O=C(N[C@H]1CCc2c1cccc2F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352106057 146291179 /nfs/dbraw/zinc/29/11/79/146291179.db2.gz LIICNSXEKJTMTL-ZDUSSCGKSA-N 0 0 344.298 2.880 10 5 EFBERN Cc1ccc(CC[C@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)o1 ZINC000352165425 146306648 /nfs/dbraw/zinc/30/66/48/146306648.db2.gz FLTZPBSWSNPQTH-JTQLQIEISA-N 0 0 346.339 2.976 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000352822211 146324951 /nfs/dbraw/zinc/32/49/51/146324951.db2.gz DQZLCAIUFACDRJ-HUUCEWRRSA-N 0 0 328.372 2.634 10 5 EFBERN Cc1ccc(CC[C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000352889815 146341831 /nfs/dbraw/zinc/34/18/31/146341831.db2.gz IOYAPBLDXQRPRN-NSHDSACASA-N 0 0 338.385 2.796 10 5 EFBERN C[C@H]1Cc2ccccc2[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352896103 146343108 /nfs/dbraw/zinc/34/31/08/146343108.db2.gz OAHBOLQFQQCNDS-YVEFUNNKSA-N 0 0 346.408 2.948 10 5 EFBERN CSc1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[nH][nH]2)c1[N+](=O)[O-] ZINC000352994735 146369414 /nfs/dbraw/zinc/36/94/14/146369414.db2.gz UQTZMXWUBVNBKF-NSHDSACASA-N 0 0 348.384 2.566 10 5 EFBERN CC(=O)Nc1cccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000352996267 146369700 /nfs/dbraw/zinc/36/97/00/146369700.db2.gz FPTFGUFLNRFVHO-UHFFFAOYSA-N 0 0 326.356 2.507 10 5 EFBERN O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)cc1 ZINC000353000878 146371324 /nfs/dbraw/zinc/37/13/24/146371324.db2.gz OCVLHWZLSLQVOM-UHFFFAOYSA-N 0 0 346.774 2.640 10 5 EFBERN C[C@H](C(=O)Nc1cccc(F)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353033881 146381289 /nfs/dbraw/zinc/38/12/89/146381289.db2.gz OVLJMBCYANTAQT-LLVKDONJSA-N 0 0 344.346 2.514 10 5 EFBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000353111849 146399045 /nfs/dbraw/zinc/39/90/45/146399045.db2.gz LWSPIKWPRZOQJK-CYBMUJFWSA-N 0 0 348.790 2.851 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000353274763 146437163 /nfs/dbraw/zinc/43/71/63/146437163.db2.gz QLHAXLJBQJVVMF-UHFFFAOYSA-N 0 0 344.302 2.574 10 5 EFBERN O=C(NC[C@@H](CO)C1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000353297013 146442560 /nfs/dbraw/zinc/44/25/60/146442560.db2.gz DPCQNILWJPKRKW-VIFPVBQESA-N 0 0 347.293 2.754 10 5 EFBERN Cc1nc([C@](C)(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000353363278 146459619 /nfs/dbraw/zinc/45/96/19/146459619.db2.gz AUPNARHXALJVML-MRXNPFEDSA-N 0 0 330.344 2.650 10 5 EFBERN COC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1cccc(O)c1 ZINC000353478239 146489928 /nfs/dbraw/zinc/48/99/28/146489928.db2.gz FDIHEZOJDMXOPH-INIZCTEOSA-N 0 0 330.340 2.613 10 5 EFBERN CC[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000353582724 146517004 /nfs/dbraw/zinc/51/70/04/146517004.db2.gz UBXRDNYONDSFQQ-LLVKDONJSA-N 0 0 346.181 2.904 10 5 EFBERN CC(C)OC(=O)C[C@H](NC(=O)C1=CCC1)c1ccccc1[N+](=O)[O-] ZINC000355332866 146924362 /nfs/dbraw/zinc/92/43/62/146924362.db2.gz BQKVSJYSBAYAJK-AWEZNQCLSA-N 0 0 332.356 2.814 10 5 EFBERN Nc1ccc(-c2noc(Cn3ncc4ccccc43)n2)cc1[N+](=O)[O-] ZINC000355428648 146955763 /nfs/dbraw/zinc/95/57/63/146955763.db2.gz NWFHXSZZMQYOHB-UHFFFAOYSA-N 0 0 336.311 2.625 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccn3)cc2)n1 ZINC000355534138 146987674 /nfs/dbraw/zinc/98/76/74/146987674.db2.gz QMTRHOSFOVMRJM-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN COC(=O)COc1ccc(CN(C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000355585630 147004340 /nfs/dbraw/zinc/00/43/40/147004340.db2.gz RHDNQCMDHLZVDV-UHFFFAOYSA-N 0 0 348.355 2.680 10 5 EFBERN COc1nn(C)cc1Nc1ccc([N+](=O)[O-])cc1Br ZINC000355669963 147030058 /nfs/dbraw/zinc/03/00/58/147030058.db2.gz OPDXEJQOGZWRGP-UHFFFAOYSA-N 0 0 327.138 2.843 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N(CC2CCCCC2)c2ccccn2)n1 ZINC000355708549 147040828 /nfs/dbraw/zinc/04/08/28/147040828.db2.gz IJNFHTICKDYZAW-UHFFFAOYSA-N 0 0 343.387 2.950 10 5 EFBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc2cc[nH]c2n1 ZINC000355764315 147056727 /nfs/dbraw/zinc/05/67/27/147056727.db2.gz XKQRKYYCZDAQAR-UHFFFAOYSA-N 0 0 339.355 2.590 10 5 EFBERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000355957532 147108530 /nfs/dbraw/zinc/10/85/30/147108530.db2.gz ZLSSKCAVRZGUNZ-RDBSUJKOSA-N 0 0 347.415 2.608 10 5 EFBERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000355957527 147108855 /nfs/dbraw/zinc/10/88/55/147108855.db2.gz ZLSSKCAVRZGUNZ-HZSPNIEDSA-N 0 0 347.415 2.608 10 5 EFBERN CC(C)(C)C1CC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000356002416 147119446 /nfs/dbraw/zinc/11/94/46/147119446.db2.gz BLKKEBWYSPFICL-UHFFFAOYSA-N 0 0 347.415 2.656 10 5 EFBERN CC(C)(C(=O)N[C@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000356260286 147192169 /nfs/dbraw/zinc/19/21/69/147192169.db2.gz VNTFTYHBRNFJDJ-CQSZACIVSA-N 0 0 334.397 2.784 10 5 EFBERN CNc1c(C(=O)N2CCC(n3cncc3C)CC2)cccc1[N+](=O)[O-] ZINC000356271390 147195832 /nfs/dbraw/zinc/19/58/32/147195832.db2.gz BODNCWQCJFIYRE-UHFFFAOYSA-N 0 0 343.387 2.619 10 5 EFBERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356469296 147252824 /nfs/dbraw/zinc/25/28/24/147252824.db2.gz DWVPWLFJZCVSAJ-MJGOQNOKSA-N 0 0 340.379 2.992 10 5 EFBERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000356490558 147259254 /nfs/dbraw/zinc/25/92/54/147259254.db2.gz YBHSFYZBDYGBMN-HKUYNNGSSA-N 0 0 340.379 2.992 10 5 EFBERN Cc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)nc(C)n1 ZINC000356494722 147260482 /nfs/dbraw/zinc/26/04/82/147260482.db2.gz ATDUWYZQVNABJF-UHFFFAOYSA-N 0 0 340.343 2.706 10 5 EFBERN Cc1ccc([C@@H](C)c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)cc1 ZINC000356504061 147262254 /nfs/dbraw/zinc/26/22/54/147262254.db2.gz JOBYMOBHMDLRIR-GFCCVEGCSA-N 0 0 340.339 2.648 10 5 EFBERN O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356556795 147276348 /nfs/dbraw/zinc/27/63/48/147276348.db2.gz YYBKXRZBEBCNER-UHFFFAOYSA-N 0 0 348.365 2.555 10 5 EFBERN COc1c(C(=O)N[C@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000356563996 147277807 /nfs/dbraw/zinc/27/78/07/147277807.db2.gz QQLUZKKAWRLSKP-HNNXBMFYSA-N 0 0 327.340 2.880 10 5 EFBERN NC(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nc1-c1ccccc1 ZINC000356567396 147279709 /nfs/dbraw/zinc/27/97/09/147279709.db2.gz QSNLNSQDPBQAEY-UHFFFAOYSA-N 0 0 340.314 2.745 10 5 EFBERN Cc1cc(CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)on1 ZINC000356670387 147305807 /nfs/dbraw/zinc/30/58/07/147305807.db2.gz FBMWQEYUDQWQTC-NSHDSACASA-N 0 0 335.385 2.731 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cn(C)nc1OC ZINC000356708373 147315332 /nfs/dbraw/zinc/31/53/32/147315332.db2.gz XACMVMWBEWUJJK-GFCCVEGCSA-N 0 0 332.360 2.544 10 5 EFBERN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCCC[C@@H]1CCO ZINC000356729762 147320911 /nfs/dbraw/zinc/32/09/11/147320911.db2.gz GLYCLGCCEDMHLR-GFCCVEGCSA-N 0 0 331.372 2.843 10 5 EFBERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCCC[C@H]1CCO ZINC000356741951 147324655 /nfs/dbraw/zinc/32/46/55/147324655.db2.gz LSJJGBNVANPHKM-HNNXBMFYSA-N 0 0 345.399 2.703 10 5 EFBERN Cc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c[nH]1 ZINC000356853006 147354567 /nfs/dbraw/zinc/35/45/67/147354567.db2.gz HWQOZCTVGWOSIM-UHFFFAOYSA-N 0 0 325.122 2.641 10 5 EFBERN C[C@H](c1noc(-c2c([N+](=O)[O-])cnn2C)n1)c1c(F)cccc1F ZINC000356860902 147356580 /nfs/dbraw/zinc/35/65/80/147356580.db2.gz YKYXBZVOAQYNCB-ZETCQYMHSA-N 0 0 335.270 2.808 10 5 EFBERN 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Cc1nnccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362049896 148747202 /nfs/dbraw/zinc/74/72/02/148747202.db2.gz JCJMJHVALYGXKN-UHFFFAOYSA-N 0 0 335.751 2.711 10 5 EFBERN CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000362232319 148782119 /nfs/dbraw/zinc/78/21/19/148782119.db2.gz HFNHLPYPSSYNGO-SNVBAGLBSA-N 0 0 343.177 2.608 10 5 EFBERN COC(=O)[C@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000362326012 148800263 /nfs/dbraw/zinc/80/02/63/148800263.db2.gz UQVNTWBGUNKQKG-MRXNPFEDSA-N 0 0 348.330 2.746 10 5 EFBERN CNC(=O)c1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc1 ZINC000362607987 148855588 /nfs/dbraw/zinc/85/55/88/148855588.db2.gz HBOSAEXQAQWCPY-UHFFFAOYSA-N 0 0 348.746 2.564 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000362730711 148877186 /nfs/dbraw/zinc/87/71/86/148877186.db2.gz ZZJBAFRDPRTGHV-SSDOTTSWSA-N 0 0 349.206 2.575 10 5 EFBERN Cc1nc(C)c(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000362839213 148894321 /nfs/dbraw/zinc/89/43/21/148894321.db2.gz GWRBKXJNVHYOOS-UHFFFAOYSA-N 0 0 341.339 2.805 10 5 EFBERN Cc1cn2c(n1)CN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000363714499 149003788 /nfs/dbraw/zinc/00/37/88/149003788.db2.gz QFOQUABQNZEVGB-UHFFFAOYSA-N 0 0 339.355 2.771 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCO[C@H](C4CC4)C3)co2)cc1 ZINC000363777026 149010817 /nfs/dbraw/zinc/01/08/17/149010817.db2.gz VGIDNGQILFHUJL-INIZCTEOSA-N 0 0 329.356 2.861 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000364302669 149119975 /nfs/dbraw/zinc/11/99/75/149119975.db2.gz LTBPOPRBYYSRME-KBPBESRZSA-N 0 0 333.388 2.577 10 5 EFBERN Cc1cncn1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000364376401 149138947 /nfs/dbraw/zinc/13/89/47/149138947.db2.gz DOQGCZQNPRRTME-UHFFFAOYSA-N 0 0 328.372 2.885 10 5 EFBERN Cc1cncn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000364378721 149139334 /nfs/dbraw/zinc/13/93/34/149139334.db2.gz LAJRGSMWBRPDQL-UHFFFAOYSA-N 0 0 328.372 2.885 10 5 EFBERN CCc1cc(N2C[C@@H](O)C3(CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364417431 149145726 /nfs/dbraw/zinc/14/57/26/149145726.db2.gz KPHCFYHNEQAYAQ-OAHLLOKOSA-N 0 0 340.383 2.575 10 5 EFBERN O=[N+]([O-])c1ccc(Cc2noc([C@H]3OCCc4ccccc43)n2)nc1 ZINC000364474772 149162742 /nfs/dbraw/zinc/16/27/42/149162742.db2.gz DOOCEYHNLDZRMC-INIZCTEOSA-N 0 0 338.323 2.626 10 5 EFBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@@H](O)C2(CC2)C1 ZINC000364534643 149177812 /nfs/dbraw/zinc/17/78/12/149177812.db2.gz RYBLRTNBEJNMPM-LLVKDONJSA-N 0 0 345.277 2.602 10 5 EFBERN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000365526309 149416678 /nfs/dbraw/zinc/41/66/78/149416678.db2.gz JSIRODUXLYVUMK-OAHLLOKOSA-N 0 0 343.339 2.560 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1 ZINC000365705801 149464589 /nfs/dbraw/zinc/46/45/89/149464589.db2.gz BIUNNKXZWZAXDG-CQSZACIVSA-N 0 0 342.754 2.567 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1C[C@H]2CCCC[C@H]21 ZINC000368318610 150093714 /nfs/dbraw/zinc/09/37/14/150093714.db2.gz SKHCFSIDCLFGOZ-LDYMZIIASA-N 0 0 340.177 2.767 10 5 EFBERN Cc1cc(NC(=O)NCC2(O)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000368392820 150108970 /nfs/dbraw/zinc/10/89/70/150108970.db2.gz HLXVSPKDDGXFBJ-UHFFFAOYSA-N 0 0 341.367 2.555 10 5 EFBERN CC(=O)c1cc(NCc2ccnc(-n3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000368677271 150179285 /nfs/dbraw/zinc/17/92/85/150179285.db2.gz XPNZZNVYVDVQGX-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN C[C@H]1CC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000368706378 150187968 /nfs/dbraw/zinc/18/79/68/150187968.db2.gz JFBLZMYJTXADBJ-XJKSGUPXSA-N 0 0 338.429 2.937 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000368756739 150198536 /nfs/dbraw/zinc/19/85/36/150198536.db2.gz IWZPPHWIWNJDAZ-CYBMUJFWSA-N 0 0 336.388 2.882 10 5 EFBERN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@]1(c1ccccc1)C(F)(F)F ZINC000368790989 150204952 /nfs/dbraw/zinc/20/49/52/150204952.db2.gz NUJWKGFBJCFALQ-YRGRVCCFSA-N 0 0 328.290 2.732 10 5 EFBERN Nc1c(C(=O)NC2CC(c3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000368978182 150251339 /nfs/dbraw/zinc/25/13/39/150251339.db2.gz ADIUFTQXYVJBOK-UHFFFAOYSA-N 0 0 329.331 2.992 10 5 EFBERN NC(=O)c1ccc(N2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000369211832 150301508 /nfs/dbraw/zinc/30/15/08/150301508.db2.gz BFUDOWMDCBLMJQ-QGZVFWFLSA-N 0 0 329.331 2.769 10 5 EFBERN Cc1ccc([C@H](C)NC(=O)N2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000369290690 150322786 /nfs/dbraw/zinc/32/27/86/150322786.db2.gz QAGCMNOFXFHVRY-ZDUSSCGKSA-N 0 0 333.388 2.929 10 5 EFBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000369546003 150382632 /nfs/dbraw/zinc/38/26/32/150382632.db2.gz MCYVPCYRURVIAZ-QGZVFWFLSA-N 0 0 329.331 2.933 10 5 EFBERN COc1cc(C(=O)N2CCCC[C@@H]2c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000370941144 150697287 /nfs/dbraw/zinc/69/72/87/150697287.db2.gz GBMRORVOZNOUTA-CYBMUJFWSA-N 0 0 346.343 2.662 10 5 EFBERN COc1cc(CN2CC(=O)N(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000338572035 286218462 /nfs/dbraw/zinc/21/84/62/286218462.db2.gz RARXKOJUGJBPKE-SFHVURJKSA-N 0 0 341.367 2.576 10 5 EFBERN COc1cc(N2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])cc1F ZINC000376208226 286228464 /nfs/dbraw/zinc/22/84/64/286228464.db2.gz RHIWPNIEXROOAP-UHFFFAOYSA-N 0 0 332.335 2.770 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](c3ccco3)C2)c1 ZINC000372585480 151034241 /nfs/dbraw/zinc/03/42/41/151034241.db2.gz RAYSBFVLXQWTAZ-CYBMUJFWSA-N 0 0 336.369 2.507 10 5 EFBERN C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000372858146 151072300 /nfs/dbraw/zinc/07/23/00/151072300.db2.gz NTJNRGNJMLEHDD-JSGCOSHPSA-N 0 0 328.372 2.594 10 5 EFBERN C[C@H]1CCOCCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000373158313 151124018 /nfs/dbraw/zinc/12/40/18/151124018.db2.gz GYPGYDXESIZLOP-ZETCQYMHSA-N 0 0 349.206 2.670 10 5 EFBERN Cc1cc(NC(=O)[C@@H]2CCCOCC2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373207839 151134326 /nfs/dbraw/zinc/13/43/26/151134326.db2.gz QHUJVCDONWIZJN-CYBMUJFWSA-N 0 0 344.371 2.844 10 5 EFBERN Cc1cn2c(n1)CN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CC2 ZINC000373317670 151152015 /nfs/dbraw/zinc/15/20/15/151152015.db2.gz KCGZTWMTDNJQNT-UHFFFAOYSA-N 0 0 329.360 2.764 10 5 EFBERN CCc1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000373373579 151160288 /nfs/dbraw/zinc/16/02/88/151160288.db2.gz RRNNRHDYLWMBQE-UHFFFAOYSA-N 0 0 344.342 2.640 10 5 EFBERN Cc1nccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000373523230 151183835 /nfs/dbraw/zinc/18/38/35/151183835.db2.gz OSJCGIKRIHEMEL-UHFFFAOYSA-N 0 0 328.372 2.737 10 5 EFBERN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000373591015 151195077 /nfs/dbraw/zinc/19/50/77/151195077.db2.gz CXAPOMZTDYBKIF-QGZVFWFLSA-N 0 0 346.362 2.511 10 5 EFBERN Cc1csc2c1ncnc2N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373686653 151210136 /nfs/dbraw/zinc/21/01/36/151210136.db2.gz SPZDWFJWQHUMCV-UHFFFAOYSA-N 0 0 344.400 2.946 10 5 EFBERN Cc1nn(C)c(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000373877496 151241775 /nfs/dbraw/zinc/24/17/75/151241775.db2.gz CGFPPJJZEBMHTR-AULYBMBSSA-N 0 0 348.790 2.966 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000373873534 151241852 /nfs/dbraw/zinc/24/18/52/151241852.db2.gz WGZJLKFVVAINBB-KRWDZBQOSA-N 0 0 346.362 2.505 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](c2ccccc2C)C1 ZINC000373961966 151257910 /nfs/dbraw/zinc/25/79/10/151257910.db2.gz KCTUKGUQEJCROP-SHTZXODSSA-N 0 0 342.399 2.861 10 5 EFBERN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@]2(CCOC2)O1 ZINC000373967732 151258663 /nfs/dbraw/zinc/25/86/63/151258663.db2.gz GRPRJNAIEZBLES-PBHICJAKSA-N 0 0 349.387 2.705 10 5 EFBERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC1=O ZINC000374167853 151294526 /nfs/dbraw/zinc/29/45/26/151294526.db2.gz NCKYMJAURSHCRW-ZETOZRRWSA-N 0 0 326.356 2.564 10 5 EFBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000374207617 151301436 /nfs/dbraw/zinc/30/14/36/151301436.db2.gz JNAPKGYVPYQMEH-GFCCVEGCSA-N 0 0 343.387 2.525 10 5 EFBERN CCCc1occc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374281176 151314214 /nfs/dbraw/zinc/31/42/14/151314214.db2.gz WRGRXGRFDQNMTA-UHFFFAOYSA-N 0 0 332.360 2.814 10 5 EFBERN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC(=O)N1Cc1ccccc1 ZINC000374414157 151343790 /nfs/dbraw/zinc/34/37/90/151343790.db2.gz GLDTZHLNABNKBR-CMPLNLGQSA-N 0 0 332.385 2.653 10 5 EFBERN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000374436884 151347194 /nfs/dbraw/zinc/34/71/94/151347194.db2.gz AHRQWLYTCWHMOU-KRWDZBQOSA-N 0 0 344.346 2.591 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000374453543 151350999 /nfs/dbraw/zinc/35/09/99/151350999.db2.gz CJTVSXOHMJWFIO-GFCCVEGCSA-N 0 0 330.344 2.524 10 5 EFBERN Cc1cc(N2CCC[C@](CO)(c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000374549966 151368405 /nfs/dbraw/zinc/36/84/05/151368405.db2.gz NFBUISXVNJHZGH-SFHVURJKSA-N 0 0 327.384 2.829 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000374644430 151387451 /nfs/dbraw/zinc/38/74/51/151387451.db2.gz HAUFHLLEQFQXOM-LLVKDONJSA-N 0 0 327.340 2.722 10 5 EFBERN COc1ccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374646244 151387970 /nfs/dbraw/zinc/38/79/70/151387970.db2.gz KXDPYSYPKXGAGE-AWEZNQCLSA-N 0 0 341.367 2.703 10 5 EFBERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000374660666 151390549 /nfs/dbraw/zinc/39/05/49/151390549.db2.gz TVXVVLDUIUVZAM-AGUYFDCRSA-N 0 0 340.383 2.879 10 5 EFBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000374675884 151393569 /nfs/dbraw/zinc/39/35/69/151393569.db2.gz FCAQZYCISOGWQX-MRXNPFEDSA-N 0 0 325.368 2.624 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375230081 151494616 /nfs/dbraw/zinc/49/46/16/151494616.db2.gz QIGNNWFPQURZAP-LLVKDONJSA-N 0 0 343.343 2.877 10 5 EFBERN CCc1nn(C)c(N[C@@H]2CCc3cnn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC000375450461 151536240 /nfs/dbraw/zinc/53/62/40/151536240.db2.gz AJOFDCNHUIXOAE-GFCCVEGCSA-N 0 0 332.408 2.638 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC=C(c3ccco3)C2)c1 ZINC000375690051 151578068 /nfs/dbraw/zinc/57/80/68/151578068.db2.gz SOGXWLAWWMASHS-UHFFFAOYSA-N 0 0 348.380 2.807 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2)s1 ZINC000376704676 151758354 /nfs/dbraw/zinc/75/83/54/151758354.db2.gz LAOGRPTURUFAOK-LLVKDONJSA-N 0 0 339.398 2.577 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000378141923 152018225 /nfs/dbraw/zinc/01/82/25/152018225.db2.gz OFBWNGMRSQQVSY-ZDUSSCGKSA-N 0 0 343.343 2.618 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000408171563 296669051 /nfs/dbraw/zinc/66/90/51/296669051.db2.gz LAUUFSCAISXBIN-IAQYHMDHSA-N 0 0 342.392 2.935 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000408132957 152154651 /nfs/dbraw/zinc/15/46/51/152154651.db2.gz NACICHZBOUHQHG-CYBMUJFWSA-N 0 0 342.417 2.528 10 5 EFBERN C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000408172618 152159824 /nfs/dbraw/zinc/15/98/24/152159824.db2.gz YRAFSTYSFSLBLU-CZUORRHYSA-N 0 0 338.429 2.937 10 5 EFBERN C[C@H]1CC[C@@]2(CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000408172619 152159952 /nfs/dbraw/zinc/15/99/52/152159952.db2.gz YRAFSTYSFSLBLU-XJKSGUPXSA-N 0 0 338.429 2.937 10 5 EFBERN Cc1n[nH]c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000408341011 152178746 /nfs/dbraw/zinc/17/87/46/152178746.db2.gz GDACYLHZZGUZSO-QMMMGPOBSA-N 0 0 334.298 2.677 10 5 EFBERN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCS1 ZINC000408387340 152184458 /nfs/dbraw/zinc/18/44/58/152184458.db2.gz WYTZMIOMHJIBHB-QMMMGPOBSA-N 0 0 345.218 2.935 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000408404977 152186211 /nfs/dbraw/zinc/18/62/11/152186211.db2.gz KQOTVJWQNKTMPW-DTORHVGOSA-N 0 0 332.809 2.833 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000352133309 286384737 /nfs/dbraw/zinc/38/47/37/286384737.db2.gz FYSDPRUSLISRQU-SDDRHHMPSA-N 0 0 342.417 2.706 10 5 EFBERN COc1cccc(C(=O)N[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000435667073 286444785 /nfs/dbraw/zinc/44/47/85/286444785.db2.gz GFGRTLIYASGTLH-CQSZACIVSA-N 0 0 326.352 2.891 10 5 EFBERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000131230606 297150776 /nfs/dbraw/zinc/15/07/76/297150776.db2.gz DRRLFCQFCXZKEL-DTORHVGOSA-N 0 0 343.177 2.607 10 5 EFBERN CC[C@@H]1CCCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000151536413 286997870 /nfs/dbraw/zinc/99/78/70/286997870.db2.gz JNNKQPRMYVIJEV-GFCCVEGCSA-N 0 0 342.417 2.947 10 5 EFBERN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000367705736 164705050 /nfs/dbraw/zinc/70/50/50/164705050.db2.gz PKWAZZVTXWRYCX-GFCCVEGCSA-N 0 0 346.774 2.652 10 5 EFBERN Cc1sc(C(=O)NC[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000158841298 225094687 /nfs/dbraw/zinc/09/46/87/225094687.db2.gz RDNINWFVXZMWDP-MRXNPFEDSA-N 0 0 332.381 2.529 10 5 EFBERN Cc1sc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000162709644 225856469 /nfs/dbraw/zinc/85/64/69/225856469.db2.gz DLKSSJUUHPKMCK-RMLUDKJBSA-N 0 0 338.360 2.956 10 5 EFBERN Cc1nn(CCC(=O)N2CCC[C@H](C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000171425294 227074124 /nfs/dbraw/zinc/07/41/24/227074124.db2.gz YLOUAJHRXZUNFZ-NSHDSACASA-N 0 0 348.325 2.599 10 5 EFBERN Cc1nn(CCC(=O)Nc2ccc3c(c2)CCCO3)c(C)c1[N+](=O)[O-] ZINC000171451366 227086908 /nfs/dbraw/zinc/08/69/08/227086908.db2.gz PAOQJYZWTWYZOS-UHFFFAOYSA-N 0 0 344.371 2.762 10 5 EFBERN Cc1cc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000121299731 221809700 /nfs/dbraw/zinc/80/97/00/221809700.db2.gz DYTIVTGKXZVGNW-HOTGVXAUSA-N 0 0 327.340 2.683 10 5 EFBERN COc1ccc([C@@H](CCO)NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000122974228 222193252 /nfs/dbraw/zinc/19/32/52/222193252.db2.gz WVBZXNKHVRRWLB-QGZVFWFLSA-N 0 0 344.367 2.765 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000123423767 222275422 /nfs/dbraw/zinc/27/54/22/222275422.db2.gz QJYSAYCTLQEGNL-BLLLJJGKSA-N 0 0 336.413 2.688 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000124791073 222477843 /nfs/dbraw/zinc/47/78/43/222477843.db2.gz RTTDEPPGJROKAP-NSHDSACASA-N 0 0 345.321 2.612 10 5 EFBERN O=C(CCc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000005515941 544421089 /nfs/dbraw/zinc/42/10/89/544421089.db2.gz XAJFLBZUKOKBTR-UHFFFAOYSA-N 0 0 328.324 2.937 10 5 EFBERN COC(=O)c1ccc(OCCc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000133887155 544678744 /nfs/dbraw/zinc/67/87/44/544678744.db2.gz MDOJPZMCTFYMQU-UHFFFAOYSA-N 0 0 343.335 2.938 10 5 EFBERN COC(=O)c1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000046156589 272976591 /nfs/dbraw/zinc/97/65/91/272976591.db2.gz ANVCQALSWSTSJG-UHFFFAOYSA-N 0 0 349.730 2.991 10 5 EFBERN Cc1nc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c(C)s1 ZINC000178838199 264910626 /nfs/dbraw/zinc/91/06/26/264910626.db2.gz LKRKBLWBPIEBHT-UHFFFAOYSA-N 0 0 344.356 2.706 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000184871295 265028411 /nfs/dbraw/zinc/02/84/11/265028411.db2.gz MMUUWIXMAIFMAN-BFYDXBDKSA-N 0 0 334.416 2.831 10 5 EFBERN CN(C)c1nc(COc2ccc([N+](=O)[O-])c3ncccc23)ns1 ZINC000184976527 265030285 /nfs/dbraw/zinc/03/02/85/265030285.db2.gz BBNPWJLCEKIKSR-UHFFFAOYSA-N 0 0 331.357 2.640 10 5 EFBERN O=[N+]([O-])c1ccc(OCc2nnnn2-c2ccccc2)c2cccnc21 ZINC000184975311 265030580 /nfs/dbraw/zinc/03/05/80/265030580.db2.gz RDPRMWRTBGQNFR-UHFFFAOYSA-N 0 0 348.322 2.698 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(Cc2ccn(-c3ccc(Cl)cc3)n2)c1=O ZINC000186271667 265060206 /nfs/dbraw/zinc/06/02/06/265060206.db2.gz CRDFXHLDJWRDQP-UHFFFAOYSA-N 0 0 344.758 2.952 10 5 EFBERN CC(C)(C)OC(=O)CCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186586970 265072964 /nfs/dbraw/zinc/07/29/64/265072964.db2.gz FRGXXPHQKOJNEC-UHFFFAOYSA-N 0 0 332.360 2.975 10 5 EFBERN Cc1ccc(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000188542315 265138042 /nfs/dbraw/zinc/13/80/42/265138042.db2.gz JVOPXLZKQVPASX-UHFFFAOYSA-N 0 0 332.381 2.797 10 5 EFBERN COc1ccc(F)cc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000189342524 265185119 /nfs/dbraw/zinc/18/51/19/265185119.db2.gz BXNCQBJQCMHXIA-UHFFFAOYSA-N 0 0 332.331 2.992 10 5 EFBERN NC(=O)c1coc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000189405779 265186801 /nfs/dbraw/zinc/18/68/01/265186801.db2.gz AEOIWSUYNBSGLC-UHFFFAOYSA-N 0 0 341.323 2.837 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)N[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000191902583 265281251 /nfs/dbraw/zinc/28/12/51/265281251.db2.gz BPHIMYIABJSRBP-ZDUSSCGKSA-N 0 0 348.380 2.624 10 5 EFBERN CCCN(C(=O)COCc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000193991617 265355988 /nfs/dbraw/zinc/35/59/88/265355988.db2.gz OQTNWRYBVKGOPM-UHFFFAOYSA-N 0 0 333.344 2.851 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2COc3ccccc32)cc1C ZINC000194622682 265378688 /nfs/dbraw/zinc/37/86/88/265378688.db2.gz FGPSWUVDEXBUPP-ZDUSSCGKSA-N 0 0 348.380 2.624 10 5 EFBERN CC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000194905369 265395735 /nfs/dbraw/zinc/39/57/35/265395735.db2.gz QTBHDXDMOUDHEO-UHFFFAOYSA-N 0 0 347.396 2.565 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000269385970 265502503 /nfs/dbraw/zinc/50/25/03/265502503.db2.gz KOPTVYONUCDEME-SECBINFHSA-N 0 0 332.364 2.861 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270556118 265744001 /nfs/dbraw/zinc/74/40/01/265744001.db2.gz OFLQXZBXIDRQLU-SNVBAGLBSA-N 0 0 334.328 2.803 10 5 EFBERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270742829 265792906 /nfs/dbraw/zinc/79/29/06/265792906.db2.gz AHFNSGKFACFQJC-JTQLQIEISA-N 0 0 336.779 2.685 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2ccsc2)s1 ZINC000271241989 265927053 /nfs/dbraw/zinc/92/70/53/265927053.db2.gz HTNOZLAMNPTODC-UHFFFAOYSA-N 0 0 332.428 2.776 10 5 EFBERN Cc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271668094 266038091 /nfs/dbraw/zinc/03/80/91/266038091.db2.gz MKKHFXVFEPCWTI-SUMWQHHRSA-N 0 0 343.383 2.997 10 5 EFBERN C[C@H](NC(=O)N[C@@H](CO)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271689071 266042067 /nfs/dbraw/zinc/04/20/67/266042067.db2.gz DTIUYKHKYBFTCD-DZGCQCFKSA-N 0 0 343.383 2.559 10 5 EFBERN CC[C@H](NC(=O)NC[C@@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000090550853 272996701 /nfs/dbraw/zinc/99/67/01/272996701.db2.gz ODKUVLPPRPNWRD-CJNGLKHVSA-N 0 0 345.403 2.878 10 5 EFBERN Cc1nn(C)c(C)c1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000272130109 266163142 /nfs/dbraw/zinc/16/31/42/266163142.db2.gz RPAFXEGHCHOKTM-JTQLQIEISA-N 0 0 331.376 2.774 10 5 EFBERN Cc1sc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000272148647 266168103 /nfs/dbraw/zinc/16/81/03/266168103.db2.gz VQFLPARXCYSNAZ-JQWIXIFHSA-N 0 0 326.418 2.834 10 5 EFBERN Cc1nn(C[C@H](O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000272196052 266184309 /nfs/dbraw/zinc/18/43/09/266184309.db2.gz LPFQMEGBAYCSRO-LBPRGKRZSA-N 0 0 326.150 2.596 10 5 EFBERN Cc1c(Cl)ccc2c1N(C(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000272358746 266241375 /nfs/dbraw/zinc/24/13/75/266241375.db2.gz BHWNVJMJYWMMFC-UHFFFAOYSA-N 0 0 334.763 2.883 10 5 EFBERN C[C@@H]1SCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000272369808 266244206 /nfs/dbraw/zinc/24/42/06/266244206.db2.gz DMWGGIAUMHOINW-XHDPSFHLSA-N 0 0 346.412 2.647 10 5 EFBERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272382726 266249331 /nfs/dbraw/zinc/24/93/31/266249331.db2.gz BOZGNDQGEDOMRV-SECBINFHSA-N 0 0 345.384 2.771 10 5 EFBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000272406698 266256016 /nfs/dbraw/zinc/25/60/16/266256016.db2.gz ZZLSLTPGVQYHPQ-WWGRRREGSA-N 0 0 349.431 2.651 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2OC(C)(C)C)n1 ZINC000272420124 266260335 /nfs/dbraw/zinc/26/03/35/266260335.db2.gz DDQLKGZHQVNKFL-UHFFFAOYSA-N 0 0 336.323 2.897 10 5 EFBERN Cc1ncc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000272478780 266279599 /nfs/dbraw/zinc/27/95/99/266279599.db2.gz BUBROVBKXHBXJO-HNNXBMFYSA-N 0 0 343.412 2.972 10 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/nfs/dbraw/zinc/52/20/08/266522008.db2.gz FCLOUMJWAJKERD-UHFFFAOYSA-N 0 0 327.344 2.514 10 5 EFBERN COC(=O)c1cc(-c2nc(C3(OC)CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000273916391 266578303 /nfs/dbraw/zinc/57/83/03/266578303.db2.gz IBIFWLGNMBAFOE-UHFFFAOYSA-N 0 0 347.327 2.847 10 5 EFBERN CCCOc1cccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)c1 ZINC000273923854 266579959 /nfs/dbraw/zinc/57/99/59/266579959.db2.gz RVHCSJDJSIRGJB-UHFFFAOYSA-N 0 0 329.316 2.834 10 5 EFBERN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274195745 266624756 /nfs/dbraw/zinc/62/47/56/266624756.db2.gz NBVAWIODPJYOHW-NHYWBVRUSA-N 0 0 328.372 2.772 10 5 EFBERN Cc1cc(NCc2cnc(N3CCOCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000274222741 266627797 /nfs/dbraw/zinc/62/77/97/266627797.db2.gz ZHDGMFWKUVBTGK-UHFFFAOYSA-N 0 0 346.362 2.886 10 5 EFBERN COc1ccccc1[C@H](O)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000275350528 266790104 /nfs/dbraw/zinc/79/01/04/266790104.db2.gz JNMBNNOLXNIPPW-OAHLLOKOSA-N 0 0 329.356 2.717 10 5 EFBERN 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccnc1N(C)C ZINC000127821270 293082164 /nfs/dbraw/zinc/08/21/64/293082164.db2.gz ADWGHUHELBUKLC-UHFFFAOYSA-N 0 0 343.387 2.994 10 5 EFBERN CC(=O)C[C@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000129238537 293128086 /nfs/dbraw/zinc/12/80/86/293128086.db2.gz GWLWYVDDANYIEC-STQMWFEESA-N 0 0 347.415 2.929 10 5 EFBERN Cc1sc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000130302864 293161360 /nfs/dbraw/zinc/16/13/60/293161360.db2.gz YHIKSZRMNJZRJU-QMMMGPOBSA-N 0 0 348.384 2.946 10 5 EFBERN Cc1nnc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C1CC1 ZINC000130721647 293175884 /nfs/dbraw/zinc/17/58/84/293175884.db2.gz VJXNZUMATOVZSL-UHFFFAOYSA-N 0 0 327.388 2.994 10 5 EFBERN CN(C)c1nc(CSCCOc2cccc([N+](=O)[O-])c2)ns1 ZINC000131228370 293190400 /nfs/dbraw/zinc/19/04/00/293190400.db2.gz OMCWQUWUGMBINJ-UHFFFAOYSA-N 0 0 340.430 2.825 10 5 EFBERN O=[N+]([O-])c1cc(CN2CCC(OC[C@H]3CCOC3)CC2)cs1 ZINC000131896969 293211968 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CN(CCc1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151913588 293308429 /nfs/dbraw/zinc/30/84/29/293308429.db2.gz XKOUBXOAZLITCR-UHFFFAOYSA-N 0 0 334.397 2.599 10 5 EFBERN CN(c1ccc(F)c(F)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152116541 293318319 /nfs/dbraw/zinc/31/83/19/293318319.db2.gz FFMALROFHJVTSF-UHFFFAOYSA-N 0 0 342.323 2.839 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000152348166 293330018 /nfs/dbraw/zinc/33/00/18/293330018.db2.gz ZARKZZWNETYRED-NSHDSACASA-N 0 0 329.356 2.707 10 5 EFBERN C[C@@H](c1ccccn1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152490570 293336161 /nfs/dbraw/zinc/33/61/61/293336161.db2.gz IKOWKQRONXUILN-LBPRGKRZSA-N 0 0 335.385 2.513 10 5 EFBERN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCO1 ZINC000152649995 293343713 /nfs/dbraw/zinc/34/37/13/293343713.db2.gz RKCOWXBKLAJAIF-UHFFFAOYSA-N 0 0 327.340 2.984 10 5 EFBERN CC(C)C[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152819715 293349270 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CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000154131997 293410656 /nfs/dbraw/zinc/41/06/56/293410656.db2.gz GTIJOWBRHWZVON-MRXNPFEDSA-N 0 0 343.383 2.712 10 5 EFBERN CNC(=O)c1cccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000154137846 293411528 /nfs/dbraw/zinc/41/15/28/293411528.db2.gz OQCZXZKEWBRNIX-UHFFFAOYSA-N 0 0 327.340 2.526 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000154762916 293439715 /nfs/dbraw/zinc/43/97/15/293439715.db2.gz ZSDUNJKYQYEUOL-HZPDHXFCSA-N 0 0 338.429 2.983 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000154977648 293448821 /nfs/dbraw/zinc/44/88/21/293448821.db2.gz RWJQMNISPYPVTJ-UHFFFAOYSA-N 0 0 328.250 2.914 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1cccc(S(C)(=O)=O)c1 ZINC000155173642 293458697 /nfs/dbraw/zinc/45/86/97/293458697.db2.gz WOOPHGYXUFRCRV-UHFFFAOYSA-N 0 0 348.380 2.583 10 5 EFBERN CCS[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155448871 293471354 /nfs/dbraw/zinc/47/13/54/293471354.db2.gz BIUPGTOWKCAXRJ-ZIAGYGMSSA-N 0 0 344.458 2.688 10 5 EFBERN CC(=O)c1c(C)cccc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000157618456 293549794 /nfs/dbraw/zinc/54/97/94/293549794.db2.gz JTNHBZZUMDWQIY-UHFFFAOYSA-N 0 0 344.371 2.948 10 5 EFBERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000246163596 293660739 /nfs/dbraw/zinc/66/07/39/293660739.db2.gz RHCWYDRYQOVFPF-HEHGZKQESA-N 0 0 348.399 2.847 10 5 EFBERN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248444348 293741683 /nfs/dbraw/zinc/74/16/83/293741683.db2.gz WCPSRCMCLVNLLP-KCXAZCMYSA-N 0 0 338.429 2.935 10 5 EFBERN Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000248476599 293743244 /nfs/dbraw/zinc/74/32/44/293743244.db2.gz NVAWKGUMIHMFAW-SMDDNHRTSA-N 0 0 342.392 2.996 10 5 EFBERN CO[C@@H]1COCC[C@@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450158012 293835589 /nfs/dbraw/zinc/83/55/89/293835589.db2.gz APWUJMXAELBKLH-RHSMWYFYSA-N 0 0 348.399 2.527 10 5 EFBERN CN(CC(=O)NC/C=C\c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000255680499 293879386 /nfs/dbraw/zinc/87/93/86/293879386.db2.gz CNGLVEDDVUOONO-YFHOEESVSA-N 0 0 325.368 2.861 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCc1ccsc1 ZINC000289819467 293919031 /nfs/dbraw/zinc/91/90/31/293919031.db2.gz AACIMVZIKKIUSA-UHFFFAOYSA-N 0 0 347.396 2.516 10 5 EFBERN Cc1cccc(C2(c3noc(-c4nn(C)cc4[N+](=O)[O-])n3)CC2)c1 ZINC000289818671 293919294 /nfs/dbraw/zinc/91/92/94/293919294.db2.gz AZTUGQYSGNYXBO-UHFFFAOYSA-N 0 0 325.328 2.767 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C1CCCC1 ZINC000289879626 293934828 /nfs/dbraw/zinc/93/48/28/293934828.db2.gz ALEVJUJUILDBQW-NSHDSACASA-N 0 0 333.388 2.791 10 5 EFBERN CCc1nnc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)s1 ZINC000290565485 294121485 /nfs/dbraw/zinc/12/14/85/294121485.db2.gz ARMCVLJLCXBVKH-UHFFFAOYSA-N 0 0 336.373 2.716 10 5 EFBERN COc1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c(OC)n1 ZINC000290906010 294217462 /nfs/dbraw/zinc/21/74/62/294217462.db2.gz VSVWQJLLAYEGAW-UHFFFAOYSA-N 0 0 337.307 2.767 10 5 EFBERN CC[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000290955164 294230352 /nfs/dbraw/zinc/23/03/52/294230352.db2.gz HEAMVDMYNVDCFW-CYBMUJFWSA-N 0 0 343.330 2.723 10 5 EFBERN COCCC1(C)CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000290960051 294231256 /nfs/dbraw/zinc/23/12/56/294231256.db2.gz HPCKFDALPGXSPU-UHFFFAOYSA-N 0 0 341.795 2.816 10 5 EFBERN Cc1sc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000290965963 294233465 /nfs/dbraw/zinc/23/34/65/294233465.db2.gz QJOVHZTYBBMRGN-SUMWQHHRSA-N 0 0 346.408 2.861 10 5 EFBERN Cc1sc(C(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000290965953 294233637 /nfs/dbraw/zinc/23/36/37/294233637.db2.gz QJOVHZTYBBMRGN-CXAGYDPISA-N 0 0 346.408 2.861 10 5 EFBERN CO[C@H](C)CN(C(C)C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351887877 294253900 /nfs/dbraw/zinc/25/39/00/294253900.db2.gz SELYMEIMRKUSLK-GFCCVEGCSA-N 0 0 344.433 2.646 10 5 EFBERN CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000291052788 294259348 /nfs/dbraw/zinc/25/93/48/294259348.db2.gz QPCSUKSFHBTHLF-HNNXBMFYSA-N 0 0 345.403 2.879 10 5 EFBERN COC(=O)c1cc(NCc2ncccc2N(C)C)cc(C)c1[N+](=O)[O-] ZINC000291071193 294265287 /nfs/dbraw/zinc/26/52/87/294265287.db2.gz HBUBVOWAEIIXJN-UHFFFAOYSA-N 0 0 344.371 2.763 10 5 EFBERN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CCSC1 ZINC000291154340 294292107 /nfs/dbraw/zinc/29/21/07/294292107.db2.gz FFIBVXOEEKMKGP-CYBMUJFWSA-N 0 0 333.417 2.815 10 5 EFBERN COCCC1(C)CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000291343273 294353757 /nfs/dbraw/zinc/35/37/57/294353757.db2.gz WUZNLWSTNVQLIC-UHFFFAOYSA-N 0 0 347.415 2.694 10 5 EFBERN COc1ccc(NC(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000291567533 294416970 /nfs/dbraw/zinc/41/69/70/294416970.db2.gz WBJQGONIVWFKDO-UHFFFAOYSA-N 0 0 331.332 2.858 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292348599 294654784 /nfs/dbraw/zinc/65/47/84/294654784.db2.gz PQJPDGRDXCHOQX-QWHCGFSZSA-N 0 0 346.355 2.569 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292436554 294683280 /nfs/dbraw/zinc/68/32/80/294683280.db2.gz WNRSLPRAIOQKBK-QWHCGFSZSA-N 0 0 346.355 2.569 10 5 EFBERN CC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)C1 ZINC000292744453 294774228 /nfs/dbraw/zinc/77/42/28/294774228.db2.gz HOQNSOFIFWTOOM-SNVBAGLBSA-N 0 0 345.321 2.666 10 5 EFBERN CC1(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])OCCCO1 ZINC000292759207 294778106 /nfs/dbraw/zinc/77/81/06/294778106.db2.gz FWYGVLDFKBGSRQ-UHFFFAOYSA-N 0 0 349.170 2.785 10 5 EFBERN CN(CC1(CO)CC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292759558 294778167 /nfs/dbraw/zinc/77/81/67/294778167.db2.gz FZDUDJGLCNKVFG-UHFFFAOYSA-N 0 0 333.171 2.746 10 5 EFBERN Cc1cc(OCC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292769239 294780840 /nfs/dbraw/zinc/78/08/40/294780840.db2.gz ISVCOIFSUUNSPP-HIFRSBDPSA-N 0 0 340.326 2.786 10 5 EFBERN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000292817270 294794732 /nfs/dbraw/zinc/79/47/32/294794732.db2.gz DPNKOCUKWRQDCI-GUYCJALGSA-N 0 0 343.383 2.559 10 5 EFBERN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000292817273 294794984 /nfs/dbraw/zinc/79/49/84/294794984.db2.gz DPNKOCUKWRQDCI-SUMWQHHRSA-N 0 0 343.383 2.559 10 5 EFBERN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnn1C(C)C ZINC000292916355 294824315 /nfs/dbraw/zinc/82/43/15/294824315.db2.gz WBGLNTZRRDGTAD-UHFFFAOYSA-N 0 0 343.387 2.880 10 5 EFBERN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(OC(C)(C)C)cn3)no2)n1 ZINC000293123037 294884560 /nfs/dbraw/zinc/88/45/60/294884560.db2.gz VKMDBCBEPGDZQW-UHFFFAOYSA-N 0 0 344.331 2.618 10 5 EFBERN CC[C@@H](NC(=O)c1ccc(C(=O)OC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000293418145 294966583 /nfs/dbraw/zinc/96/65/83/294966583.db2.gz POAXMUDBTDDIOO-GFCCVEGCSA-N 0 0 331.328 2.591 10 5 EFBERN COC(=O)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293426042 294968793 /nfs/dbraw/zinc/96/87/93/294968793.db2.gz ATKMFUMHRSUFGA-UHFFFAOYSA-N 0 0 348.277 2.687 10 5 EFBERN CO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293700343 295030747 /nfs/dbraw/zinc/03/07/47/295030747.db2.gz RKXUTNDLLNTDHJ-AOOOYVTPSA-N 0 0 332.278 2.863 10 5 EFBERN Cc1nn(CCC(=O)Nc2cccc(C3CC3)n2)c(C)c1[N+](=O)[O-] ZINC000293802709 295052907 /nfs/dbraw/zinc/05/29/07/295052907.db2.gz CYUJNWJZOJBVEQ-UHFFFAOYSA-N 0 0 329.360 2.709 10 5 EFBERN COC(=O)[C@H](CC(C)C)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000293821201 295057022 /nfs/dbraw/zinc/05/70/22/295057022.db2.gz ZSRMXKXUGUIABF-NSHDSACASA-N 0 0 328.390 2.624 10 5 EFBERN CCc1noc(C)c1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000293907120 295076225 /nfs/dbraw/zinc/07/62/25/295076225.db2.gz MSNQXJVOECBVQE-UHFFFAOYSA-N 0 0 335.385 2.862 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)[C@@H]3C)cc([N+](=O)[O-])c2)[C@H]1C ZINC000293951704 295086251 /nfs/dbraw/zinc/08/62/51/295086251.db2.gz FSDRXYGXXMAHPO-RNJOBUHISA-N 0 0 345.399 2.556 10 5 EFBERN CCOC(=O)[C@@H](F)C1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294012599 295098061 /nfs/dbraw/zinc/09/80/61/295098061.db2.gz UIKNVHBKIYRDOX-ZDUSSCGKSA-N 0 0 330.743 2.581 10 5 EFBERN CCc1noc(C)c1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000294090817 295109206 /nfs/dbraw/zinc/10/92/06/295109206.db2.gz SQPDJXHZDMUEFL-UHFFFAOYSA-N 0 0 344.371 2.958 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](O)C12CCCC2 ZINC000294335312 295149139 /nfs/dbraw/zinc/14/91/39/295149139.db2.gz WQBIGWBIFXWLAZ-DBTPVHCXSA-N 0 0 330.384 2.904 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccnn1CC(F)(F)F ZINC000294538606 295182874 /nfs/dbraw/zinc/18/28/74/295182874.db2.gz XOGVMKYVMXSEJW-UHFFFAOYSA-N 0 0 342.277 2.626 10 5 EFBERN COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408302692 295197215 /nfs/dbraw/zinc/19/72/15/295197215.db2.gz IAKGQKKWESRICT-WOPDTQHZSA-N 0 0 342.417 2.659 10 5 EFBERN COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000408302019 295197260 /nfs/dbraw/zinc/19/72/60/295197260.db2.gz DTPPGHXIHHZXTA-GRYCIOLGSA-N 0 0 342.417 2.659 10 5 EFBERN COc1ccccc1NC(=O)[C@H](C(C)C)n1cc([N+](=O)[O-])c(C)n1 ZINC000294883539 295240816 /nfs/dbraw/zinc/24/08/16/295240816.db2.gz AJRNNBPDFUTDLH-HNNXBMFYSA-N 0 0 332.360 2.944 10 5 EFBERN CC[C@H](N[C@H](C)c1nc(N)nc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000294899491 295242917 /nfs/dbraw/zinc/24/29/17/295242917.db2.gz DSWZQZLNNWARKY-KCJUWKMLSA-N 0 0 336.783 2.817 10 5 EFBERN CCn1ccnc1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000294974307 295253021 /nfs/dbraw/zinc/25/30/21/295253021.db2.gz LIODQPUEOFWZOM-UHFFFAOYSA-N 0 0 326.154 2.581 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1nccn1CC ZINC000294978670 295253303 /nfs/dbraw/zinc/25/33/03/295253303.db2.gz LTNVESZSUFLIGJ-UHFFFAOYSA-N 0 0 336.323 2.739 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ccnn1C ZINC000366984565 295254635 /nfs/dbraw/zinc/25/46/35/295254635.db2.gz VNZQLRGQUSCZKX-HNNXBMFYSA-N 0 0 344.371 2.704 10 5 EFBERN CS(=O)(=O)CC1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000295013289 295257706 /nfs/dbraw/zinc/25/77/06/295257706.db2.gz UASRSUCDOBJQIW-UHFFFAOYSA-N 0 0 347.824 2.659 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2OC)cc([N+](=O)[O-])c1 ZINC000295033556 295259690 /nfs/dbraw/zinc/25/96/90/295259690.db2.gz OTVCZWRDXFQITJ-KGLIPLIRSA-N 0 0 336.344 2.525 10 5 EFBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)C(F)(F)F ZINC000295201489 295281317 /nfs/dbraw/zinc/28/13/17/295281317.db2.gz NGEGZVWRIBPEFT-UHFFFAOYSA-N 0 0 326.296 2.522 10 5 EFBERN CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295275640 295291555 /nfs/dbraw/zinc/29/15/55/295291555.db2.gz LVZALRLNZKDJMO-JGGQBBKZSA-N 0 0 336.388 2.522 10 5 EFBERN COc1cccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000339556560 295298437 /nfs/dbraw/zinc/29/84/37/295298437.db2.gz KNSSQOIFHDUMFP-UHFFFAOYSA-N 0 0 329.356 2.592 10 5 EFBERN CC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000295386638 295311281 /nfs/dbraw/zinc/31/12/81/295311281.db2.gz SUCAMPXBNWJHKM-KBMXLJTQSA-N 0 0 336.388 2.604 10 5 EFBERN O=C(NC[C@H]1CCC[C@@H]1O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295399120 295313137 /nfs/dbraw/zinc/31/31/37/295313137.db2.gz UKKFEBRWMKDLHU-PELKAZGASA-N 0 0 332.278 2.504 10 5 EFBERN CCC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000295494200 295330258 /nfs/dbraw/zinc/33/02/58/295330258.db2.gz BBEGUBMBENGFHK-UHFFFAOYSA-N 0 0 328.390 2.605 10 5 EFBERN Cc1c(C(=O)N2CCC[C@](C)(F)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295657726 295355960 /nfs/dbraw/zinc/35/59/60/295355960.db2.gz VNEGODMMMQCWHB-AWEZNQCLSA-N 0 0 325.296 2.776 10 5 EFBERN C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1=O ZINC000295666227 295357333 /nfs/dbraw/zinc/35/73/33/295357333.db2.gz FOCIBWGYTNEKPM-QMMMGPOBSA-N 0 0 330.262 2.665 10 5 EFBERN COc1ccccc1CCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181044565 295359320 /nfs/dbraw/zinc/35/93/20/295359320.db2.gz PTPFNPWEZKERRY-UHFFFAOYSA-N 0 0 329.356 2.500 10 5 EFBERN COc1ccc(C(=O)N2CCC3(CCC(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000295784839 295375830 /nfs/dbraw/zinc/37/58/30/295375830.db2.gz LNXQSBOTFOIWPL-UHFFFAOYSA-N 0 0 348.399 2.761 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000295895352 295393169 /nfs/dbraw/zinc/39/31/69/295393169.db2.gz MZPFNYZOZAPBFA-LLVKDONJSA-N 0 0 332.278 2.911 10 5 EFBERN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000296229333 295445139 /nfs/dbraw/zinc/44/51/39/295445139.db2.gz XETAEQIBJCDFJR-DOMZBBRYSA-N 0 0 342.417 2.709 10 5 EFBERN C[C@@H]1C[C@@H](S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000296364092 295464538 /nfs/dbraw/zinc/46/45/38/295464538.db2.gz RCUQZIYXXAXHKY-BDAKNGLRSA-N 0 0 335.765 2.524 10 5 EFBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@]12CCOC2 ZINC000422088911 295560611 /nfs/dbraw/zinc/56/06/11/295560611.db2.gz MGSQLBCRFDTIJE-NRFANRHFSA-N 0 0 348.402 2.546 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000353788975 297246006 /nfs/dbraw/zinc/24/60/06/297246006.db2.gz NZKDIFNIYLXLHM-MXWKQRLJSA-N 0 0 330.381 2.789 10 5 EFBERN C[C@@H]1N(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000369898825 297515583 /nfs/dbraw/zinc/51/55/83/297515583.db2.gz UCGJSNYJJQQSGZ-JTQLQIEISA-N 0 0 340.326 2.904 10 5 EFBERN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000456745826 300249681 /nfs/dbraw/zinc/24/96/81/300249681.db2.gz RAFWJCPYUCRKAO-NSHDSACASA-N 0 0 345.321 2.551 10 5 EFBERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1Cc1ccccc1[N+](=O)[O-] ZINC000184744002 301321475 /nfs/dbraw/zinc/32/14/75/301321475.db2.gz WMKILVYDKGVNDJ-QGZVFWFLSA-N 0 0 343.358 2.715 10 5 EFBERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1Cc1ccccc1[N+](=O)[O-] ZINC000184744018 301324561 /nfs/dbraw/zinc/32/45/61/301324561.db2.gz WMKILVYDKGVNDJ-KRWDZBQOSA-N 0 0 343.358 2.715 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCS[C@@H](C)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416403812 301391175 /nfs/dbraw/zinc/39/11/75/301391175.db2.gz UCMMQGPANOVPHW-RYUDHWBXSA-N 0 0 344.458 2.726 10 5 EFBERN O=[N+]([O-])c1cnccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000340152260 304812436 /nfs/dbraw/zinc/81/24/36/304812436.db2.gz HQCOADCRXBPXHT-CYBMUJFWSA-N 0 0 342.403 2.692 10 5 EFBERN Cn1c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1C1CC1 ZINC000135229252 310652434 /nfs/dbraw/zinc/65/24/34/310652434.db2.gz SXQMTZZQOOURTL-UHFFFAOYSA-N 0 0 327.388 2.765 10 5 EFBERN CN(C)c1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)ns1 ZINC000135242254 310652774 /nfs/dbraw/zinc/65/27/74/310652774.db2.gz PZXZHWTZRJABPS-UHFFFAOYSA-N 0 0 333.417 2.677 10 5 EFBERN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000159981758 310693718 /nfs/dbraw/zinc/69/37/18/310693718.db2.gz SSHWTZXOQYTYOV-LLVKDONJSA-N 0 0 341.414 2.789 10 5 EFBERN COC(=O)CCCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000160564727 310700603 /nfs/dbraw/zinc/70/06/03/310700603.db2.gz BRCKQSUFFYDNQC-UHFFFAOYSA-N 0 0 331.328 2.733 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc(C)cn1 ZINC000161149696 310706657 /nfs/dbraw/zinc/70/66/57/310706657.db2.gz KRZKKWNRSVUILU-UHFFFAOYSA-N 0 0 334.401 2.642 10 5 EFBERN COC(=O)[C@H](c1ccccc1C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000163327265 310725571 /nfs/dbraw/zinc/72/55/71/310725571.db2.gz MGZHERCUPQKNNW-KRWDZBQOSA-N 0 0 341.367 2.571 10 5 EFBERN CC(C)n1nnnc1COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000171678250 310750957 /nfs/dbraw/zinc/75/09/57/310750957.db2.gz SWYXMAGRVGTSAK-UHFFFAOYSA-N 0 0 331.254 2.760 10 5 EFBERN O=C(c1ccc(-c2ncon2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172420014 310760012 /nfs/dbraw/zinc/76/00/12/310760012.db2.gz ZDTLLKVJPKXXAD-UHFFFAOYSA-N 0 0 336.307 2.848 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@](C)(F)C1 ZINC000296401928 310815158 /nfs/dbraw/zinc/81/51/58/310815158.db2.gz YCMUUGAZIXEETF-MRXNPFEDSA-N 0 0 337.351 2.501 10 5 EFBERN CC1(C)OCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000297741599 310926268 /nfs/dbraw/zinc/92/62/68/310926268.db2.gz NGXAQKLGVULWCP-NSHDSACASA-N 0 0 343.177 2.655 10 5 EFBERN Cc1ncoc1COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 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345.399 2.989 10 5 EFBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCCn2nccc21 ZINC000299034354 311043688 /nfs/dbraw/zinc/04/36/88/311043688.db2.gz IJGVKDWVMXPOKT-UHFFFAOYSA-N 0 0 340.261 2.861 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000299181686 311059487 /nfs/dbraw/zinc/05/94/87/311059487.db2.gz ZFTITMJWVZVAHT-UHFFFAOYSA-N 0 0 345.399 2.989 10 5 EFBERN CCCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000299416326 311082629 /nfs/dbraw/zinc/08/26/29/311082629.db2.gz QRHQMDZJDYQNDX-UHFFFAOYSA-N 0 0 330.406 2.660 10 5 EFBERN O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000299590124 311100298 /nfs/dbraw/zinc/10/02/98/311100298.db2.gz KDPQTUGESMLMCM-LBPRGKRZSA-N 0 0 328.376 2.649 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCc2sccc2C1 ZINC000299654209 311107632 /nfs/dbraw/zinc/10/76/32/311107632.db2.gz PEKGOTPDUFYRNZ-UHFFFAOYSA-N 0 0 345.424 2.753 10 5 EFBERN C[C@@H](Sc1nnnn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000299657658 311108015 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CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1F ZINC000301127170 311120549 /nfs/dbraw/zinc/12/05/49/311120549.db2.gz OXTVAANNHUJMRZ-UHFFFAOYSA-N 0 0 332.335 2.618 10 5 EFBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(N)=O)C[C@H](c2ccccc2)O1 ZINC000301133855 311120885 /nfs/dbraw/zinc/12/08/85/311120885.db2.gz ZFNIDXCNDVYFQK-YVEFUNNKSA-N 0 0 341.367 2.660 10 5 EFBERN CCOC(=O)[C@@H]1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000301183740 311123267 /nfs/dbraw/zinc/12/32/67/311123267.db2.gz QQZDNTPMZRNWMM-SNVBAGLBSA-N 0 0 326.324 2.522 10 5 EFBERN O=C(CNc1ccc(F)cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000301183850 311123390 /nfs/dbraw/zinc/12/33/90/311123390.db2.gz OFIVEYHDHAIHPF-UHFFFAOYSA-N 0 0 335.360 2.792 10 5 EFBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000301186364 311123678 /nfs/dbraw/zinc/12/36/78/311123678.db2.gz KBUMFGFNAVOBCJ-CYBMUJFWSA-N 0 0 334.420 2.675 10 5 EFBERN Cc1cc(C)n(Cc2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)n1 ZINC000301197589 311124055 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CS[C@@H](CO)[C@@H](C)Nc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301359032 311133487 /nfs/dbraw/zinc/13/34/87/311133487.db2.gz LMPBAWRYFQIEAR-RISCZKNCSA-N 0 0 348.428 2.885 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(-c2cccnc2)cc1 ZINC000301461045 311138627 /nfs/dbraw/zinc/13/86/27/311138627.db2.gz UMWSSSDCXHWWAE-UHFFFAOYSA-N 0 0 349.350 2.763 10 5 EFBERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301491073 311140425 /nfs/dbraw/zinc/14/04/25/311140425.db2.gz MZUPWAXZDKSHFV-CHWSQXEVSA-N 0 0 327.362 2.562 10 5 EFBERN CCS[C@H]1CC[C@]1(O)CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301490324 311140595 /nfs/dbraw/zinc/14/05/95/311140595.db2.gz MHJSRQBPXNYRRO-JSGCOSHPSA-N 0 0 330.381 2.801 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccccn2)c2ccncc21 ZINC000301524027 311142250 /nfs/dbraw/zinc/14/22/50/311142250.db2.gz FGLFJURCGLYULA-CYBMUJFWSA-N 0 0 338.367 2.801 10 5 EFBERN Cc1nccn1-c1ccc([C@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000301562331 311144671 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/nfs/dbraw/zinc/16/23/16/311162316.db2.gz NWBGFEFNKDSHHT-COXVUDFISA-N 0 0 334.372 2.570 10 5 EFBERN Cc1ccnc(N[C@H](C)Cn2ncc3ccccc3c2=O)c1[N+](=O)[O-] ZINC000301854868 311162580 /nfs/dbraw/zinc/16/25/80/311162580.db2.gz APNVNNVXEGAXDL-GFCCVEGCSA-N 0 0 339.355 2.509 10 5 EFBERN Cc1ccnc(N[C@@H](C)Cn2ncc3ccccc3c2=O)c1[N+](=O)[O-] ZINC000301854869 311162587 /nfs/dbraw/zinc/16/25/87/311162587.db2.gz APNVNNVXEGAXDL-LBPRGKRZSA-N 0 0 339.355 2.509 10 5 EFBERN CNC(=O)c1ccc(NCc2nc3c(cccc3C)[nH]2)c([N+](=O)[O-])c1 ZINC000301864663 311163512 /nfs/dbraw/zinc/16/35/12/311163512.db2.gz FPWBHURLEDNKQO-UHFFFAOYSA-N 0 0 339.355 2.751 10 5 EFBERN O=C1C[C@H]([C@H]2CCCCN2c2ccc([N+](=O)[O-])c3cnccc32)CN1 ZINC000301864031 311163610 /nfs/dbraw/zinc/16/36/10/311163610.db2.gz CYNZUALOSONCOD-SWLSCSKDSA-N 0 0 340.383 2.638 10 5 EFBERN CO[C@@H]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000301876603 311164245 /nfs/dbraw/zinc/16/42/45/311164245.db2.gz YKGCWZUGQDAMRV-NXOUGTEYSA-N 0 0 343.383 2.916 10 5 EFBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(-n2cccn2)c1 ZINC000301887713 311164979 /nfs/dbraw/zinc/16/49/79/311164979.db2.gz QZZAVGWMQRTVHF-LBPRGKRZSA-N 0 0 349.354 2.996 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@@H](CCCO)c3ccccc3)nn21 ZINC000301891193 311165268 /nfs/dbraw/zinc/16/52/68/311165268.db2.gz UMZADMLCCVYGER-ZDUSSCGKSA-N 0 0 327.344 2.563 10 5 EFBERN Cc1cccc(O[C@@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301954825 311168479 /nfs/dbraw/zinc/16/84/79/311168479.db2.gz DTFHLTULSQUWQF-LBPRGKRZSA-N 0 0 327.344 2.825 10 5 EFBERN COc1ccc(O[C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301952807 311168605 /nfs/dbraw/zinc/16/86/05/311168605.db2.gz CKMGADOLJXHUHF-LLVKDONJSA-N 0 0 343.343 2.526 10 5 EFBERN CO[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000301954435 311168606 /nfs/dbraw/zinc/16/86/06/311168606.db2.gz DMEXPDJUQQSLLY-GFCCVEGCSA-N 0 0 331.307 2.576 10 5 EFBERN COc1ccccc1CN(c1ccc2ncc([N+](=O)[O-])n2n1)C1CC1 ZINC000301963065 311169134 /nfs/dbraw/zinc/16/91/34/311169134.db2.gz IXGFECAOGZOYAK-UHFFFAOYSA-N 0 0 339.355 2.815 10 5 EFBERN C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301967852 311169196 /nfs/dbraw/zinc/16/91/96/311169196.db2.gz OZZVXPNSKDZTAY-DGCLKSJQSA-N 0 0 327.344 2.562 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](OCc3ccncc3)C2)c1 ZINC000301978033 311169735 /nfs/dbraw/zinc/16/97/35/311169735.db2.gz NTCHGHZFYGIHIC-ZDUSSCGKSA-N 0 0 347.346 2.933 10 5 EFBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1-n1cccn1 ZINC000301975639 311169754 /nfs/dbraw/zinc/16/97/54/311169754.db2.gz VWPYWTYLZHIEIY-LBPRGKRZSA-N 0 0 349.354 2.996 10 5 EFBERN CCOc1cc(C)ccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301983975 311170470 /nfs/dbraw/zinc/17/04/70/311170470.db2.gz YNZQXOUPQPPXJQ-UHFFFAOYSA-N 0 0 327.344 2.957 10 5 EFBERN Cc1cc(NC[C@H](C)N2CCOC[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302003723 311171460 /nfs/dbraw/zinc/17/14/60/311171460.db2.gz JZRZCMUTBQAINZ-KBPBESRZSA-N 0 0 344.415 2.973 10 5 EFBERN CCOc1ccccc1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009154 311171682 /nfs/dbraw/zinc/17/16/82/311171682.db2.gz VNGIMUQCWCHVEV-UHFFFAOYSA-N 0 0 327.344 2.691 10 5 EFBERN Cc1cc(NC[C@@H]2CN(C3CC3)CCO2)c2cccc([N+](=O)[O-])c2n1 ZINC000302016763 311172160 /nfs/dbraw/zinc/17/21/60/311172160.db2.gz LXRDMOAEVYNCTO-CQSZACIVSA-N 0 0 342.399 2.727 10 5 EFBERN CN(C)c1ncc(CN(C)c2ccc3ncccc3c2[N+](=O)[O-])cn1 ZINC000302015738 311172195 /nfs/dbraw/zinc/17/21/95/311172195.db2.gz FLTRLQKYMUCEGU-UHFFFAOYSA-N 0 0 338.371 2.635 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCOc4ccc(F)cc43)nn21 ZINC000302014782 311172276 /nfs/dbraw/zinc/17/22/76/311172276.db2.gz XSRQAVZAUCKNDT-NSHDSACASA-N 0 0 329.291 2.712 10 5 EFBERN Cc1cc(N2CCN(CC(F)F)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302017238 311172311 /nfs/dbraw/zinc/17/23/11/311172311.db2.gz MBKCPEHLNIPRGC-UHFFFAOYSA-N 0 0 336.342 2.839 10 5 EFBERN COC(=O)c1ccc(CNc2cc(C)c([N+](=O)[O-])cn2)nc1C1CC1 ZINC000302020188 311172524 /nfs/dbraw/zinc/17/25/24/311172524.db2.gz HNTHNBBCNPUXIU-UHFFFAOYSA-N 0 0 342.355 2.969 10 5 EFBERN COC(=O)c1cc(N(C)C[C@@H]2CCCC[C@H]2O)cc(C)c1[N+](=O)[O-] ZINC000302035996 311173767 /nfs/dbraw/zinc/17/37/67/311173767.db2.gz JWZIUPJQINOGPB-SWLSCSKDSA-N 0 0 336.388 2.677 10 5 EFBERN Cc1cc(N[C@@H]2CCCN(c3cccnc3)C2=O)ccc1[N+](=O)[O-] ZINC000302118668 311178555 /nfs/dbraw/zinc/17/85/55/311178555.db2.gz CRFRNPCYMBOSDN-OAHLLOKOSA-N 0 0 326.356 2.906 10 5 EFBERN CN(C[C@H]1CC=CCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302120580 311178789 /nfs/dbraw/zinc/17/87/89/311178789.db2.gz DIIXOPQJBOGMAE-JTQLQIEISA-N 0 0 330.431 2.852 10 5 EFBERN Cc1cc(N2CCN(Cc3ccc(Cl)cn3)CC2)ncc1[N+](=O)[O-] ZINC000302119936 311178795 /nfs/dbraw/zinc/17/87/95/311178795.db2.gz DDYUCKZZQHJZES-UHFFFAOYSA-N 0 0 347.806 2.669 10 5 EFBERN Cc1cnc([C@H](C)CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000302132222 311179332 /nfs/dbraw/zinc/17/93/32/311179332.db2.gz KTQXNGYMZHNADN-MRVPVSSYSA-N 0 0 348.384 2.906 10 5 EFBERN COC(=O)[C@]12CCC[C@@H]1CN(c1cc(OC)c([N+](=O)[O-])cc1F)C2 ZINC000302132759 311179412 /nfs/dbraw/zinc/17/94/12/311179412.db2.gz CHUUSQWKCAKBKJ-HWPZZCPQSA-N 0 0 338.335 2.522 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCc3cc(Cl)cc4c3OCC4)nn21 ZINC000302143467 311180261 /nfs/dbraw/zinc/18/02/61/311180261.db2.gz QAPCVAJIMPLUCK-UHFFFAOYSA-N 0 0 345.746 2.838 10 5 EFBERN Cc1cc(N2CCN(c3ccnc(C)n3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302155532 311181348 /nfs/dbraw/zinc/18/13/48/311181348.db2.gz MNIAPLNVVFSMSW-UHFFFAOYSA-N 0 0 347.806 2.982 10 5 EFBERN O=[N+]([O-])c1cnc(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)nc1 ZINC000302160855 311181463 /nfs/dbraw/zinc/18/14/63/311181463.db2.gz PDQCFUQTKNNQMO-LLVKDONJSA-N 0 0 349.341 2.740 10 5 EFBERN Cc1noc(C)c1CO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000302172759 311182235 /nfs/dbraw/zinc/18/22/35/311182235.db2.gz VCSVKKOWXQIEDD-ZDUSSCGKSA-N 0 0 332.360 2.699 10 5 EFBERN Cc1noc(C)c1CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000302178717 311182649 /nfs/dbraw/zinc/18/26/49/311182649.db2.gz XJLPNBQGNLMVAS-ZDUSSCGKSA-N 0 0 332.360 2.699 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](c4c(F)cccc4F)C3)nn21 ZINC000302218434 311185498 /nfs/dbraw/zinc/18/54/98/311185498.db2.gz KWZKXJOJLQRBQV-JTQLQIEISA-N 0 0 345.309 2.910 10 5 EFBERN O=C(NC1CC1)c1ccc(N[C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000302234388 311186544 /nfs/dbraw/zinc/18/65/44/311186544.db2.gz DIZAILZSPNWXIP-CQSZACIVSA-N 0 0 347.396 2.694 10 5 EFBERN CC(C)Cc1nsc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000302255805 311187446 /nfs/dbraw/zinc/18/74/46/311187446.db2.gz YUSKDVIBGMUCKM-UHFFFAOYSA-N 0 0 347.444 2.971 10 5 EFBERN O=[N+]([O-])c1ccc(N2CC(O)(c3ccc(F)cc3)C2)c2ncccc12 ZINC000302336541 311188430 /nfs/dbraw/zinc/18/84/30/311188430.db2.gz VNKLRWQBXXVLAF-UHFFFAOYSA-N 0 0 339.326 2.990 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000302434708 311190090 /nfs/dbraw/zinc/19/00/90/311190090.db2.gz LYFFISPGAWCGCJ-UHFFFAOYSA-N 0 0 336.294 2.589 10 5 EFBERN NC(=O)c1coc(CNc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000302455951 311190403 /nfs/dbraw/zinc/19/04/03/311190403.db2.gz SZYAHPDGBNGONN-UHFFFAOYSA-N 0 0 340.133 2.661 10 5 EFBERN CCOc1cc(N2CC(O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000302483521 311191249 /nfs/dbraw/zinc/19/12/49/311191249.db2.gz XBDQWTFXUIGGMG-UHFFFAOYSA-N 0 0 332.331 2.840 10 5 EFBERN Cc1cccc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1[N+](=O)[O-] ZINC000302509495 311191968 /nfs/dbraw/zinc/19/19/68/311191968.db2.gz RXFQCSFKLMXRGC-CYBMUJFWSA-N 0 0 331.347 2.798 10 5 EFBERN Cc1cccc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1[N+](=O)[O-] ZINC000302517688 311192279 /nfs/dbraw/zinc/19/22/79/311192279.db2.gz WCCRFHQFNCCCRG-UHFFFAOYSA-N 0 0 327.388 2.830 10 5 EFBERN O=[N+]([O-])c1cnn(CCNc2nn3cc(C4CCCC4)nc3s2)c1 ZINC000302568134 311193609 /nfs/dbraw/zinc/19/36/09/311193609.db2.gz XOTKNTLBFXYEGJ-UHFFFAOYSA-N 0 0 347.404 2.665 10 5 EFBERN CCc1nc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cs1 ZINC000302652755 311195321 /nfs/dbraw/zinc/19/53/21/311195321.db2.gz NJABQXXBSSYTBL-UHFFFAOYSA-N 0 0 341.414 2.629 10 5 EFBERN COc1cc(NCCCc2nnc3ccccn32)c(F)cc1[N+](=O)[O-] ZINC000302677259 311196274 /nfs/dbraw/zinc/19/62/74/311196274.db2.gz QJNSVJHVAHPQTJ-UHFFFAOYSA-N 0 0 345.334 2.830 10 5 EFBERN Cc1cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302688401 311196607 /nfs/dbraw/zinc/19/66/07/311196607.db2.gz UPRSBDGPYQHXSP-RYUDHWBXSA-N 0 0 328.372 2.542 10 5 EFBERN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(F)cc1 ZINC000302727127 311198264 /nfs/dbraw/zinc/19/82/64/311198264.db2.gz OIKWJYMIELKFSP-MRXNPFEDSA-N 0 0 329.331 2.947 10 5 EFBERN CS(=O)(=O)c1cc(NCCCNc2ccccc2)ccc1[N+](=O)[O-] ZINC000302746614 311199030 /nfs/dbraw/zinc/19/90/30/311199030.db2.gz SIZKYHDVEBXWRN-UHFFFAOYSA-N 0 0 349.412 2.912 10 5 EFBERN CCOc1cc(N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000302754211 311199463 /nfs/dbraw/zinc/19/94/63/311199463.db2.gz IDZILZKROBKBFG-RBOXIYTFSA-N 0 0 334.372 2.771 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCc3ccccc3OC(F)F)nn21 ZINC000302773819 311200217 /nfs/dbraw/zinc/20/02/17/311200217.db2.gz NWGKACWBANRKHT-UHFFFAOYSA-N 0 0 349.297 2.894 10 5 EFBERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000302771152 311200282 /nfs/dbraw/zinc/20/02/82/311200282.db2.gz MYUHKIPXEOXOQP-PLMOITTCSA-N 0 0 326.299 2.651 10 5 EFBERN O=[N+]([O-])c1cnc(NCCCc2cc[nH]n2)c(Br)c1 ZINC000302773293 311200337 /nfs/dbraw/zinc/20/03/37/311200337.db2.gz NTIJRUOPODLEQF-UHFFFAOYSA-N 0 0 326.154 2.520 10 5 EFBERN C[C@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])cn2)CCO1 ZINC000302825342 311203241 /nfs/dbraw/zinc/20/32/41/311203241.db2.gz YSXCAWZJJUHMCV-LBPRGKRZSA-N 0 0 346.362 2.966 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000305207313 311220183 /nfs/dbraw/zinc/22/01/83/311220183.db2.gz GLIUINDJWQKMGG-SUMWQHHRSA-N 0 0 328.368 2.625 10 5 EFBERN COc1cc(NCc2ccc(Br)cc2[N+](=O)[O-])nn1C ZINC000312379521 311230643 /nfs/dbraw/zinc/23/06/43/311230643.db2.gz JLEUTQSMEXEKFL-UHFFFAOYSA-N 0 0 341.165 2.712 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000320026037 311237263 /nfs/dbraw/zinc/23/72/63/311237263.db2.gz HJNSZORMAJNPOV-MXWKQRLJSA-N 0 0 330.381 2.789 10 5 EFBERN CCN(CC)C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000330387099 311316114 /nfs/dbraw/zinc/31/61/14/311316114.db2.gz AXXJZMIJEFMMNE-UHFFFAOYSA-N 0 0 347.415 2.624 10 5 EFBERN CC(C)(C)c1ccc(NS(=O)(=O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000330525290 311320518 /nfs/dbraw/zinc/32/05/18/311320518.db2.gz PYZFASHVKAXMDR-LBPRGKRZSA-N 0 0 342.417 2.813 10 5 EFBERN CC1CCC(OC2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000330610552 311324430 /nfs/dbraw/zinc/32/44/30/311324430.db2.gz PBXOPTRCECCXIN-UHFFFAOYSA-N 0 0 336.392 2.518 10 5 EFBERN O=C(CC1(O)CCCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000330641836 311326651 /nfs/dbraw/zinc/32/66/51/311326651.db2.gz XLFHRXLNGYAXME-UHFFFAOYSA-N 0 0 343.177 2.991 10 5 EFBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330708158 311330149 /nfs/dbraw/zinc/33/01/49/311330149.db2.gz NJFCEAWROYBCOX-UHOFOFEASA-N 0 0 349.431 2.651 10 5 EFBERN CC(C)[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000330801458 311335696 /nfs/dbraw/zinc/33/56/96/311335696.db2.gz HUGJJOIOJCMPCS-ZDUSSCGKSA-N 0 0 344.314 2.693 10 5 EFBERN C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000330806667 311336017 /nfs/dbraw/zinc/33/60/17/311336017.db2.gz HVBDNCYKOKZFCP-CABZTGNLSA-N 0 0 344.820 2.570 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330836427 311337526 /nfs/dbraw/zinc/33/75/26/311337526.db2.gz IFEWZNMBJYFZJL-GOEBONIOSA-N 0 0 349.431 2.571 10 5 EFBERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000330872119 311339928 /nfs/dbraw/zinc/33/99/28/311339928.db2.gz RQVHEYPDNNFDKQ-UGSOOPFHSA-N 0 0 334.416 2.831 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000331018734 311348853 /nfs/dbraw/zinc/34/88/53/311348853.db2.gz 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Cc1cc(N2CCC[C@@H](Nc3nc(C)cc(C)c3[N+](=O)[O-])C2)n(C)n1 ZINC000578711709 320230468 /nfs/dbraw/zinc/23/04/68/320230468.db2.gz FMTRTPRFTZHWJR-CQSZACIVSA-N 0 0 344.419 2.729 10 5 EFBERN COCC1(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000578773578 320238690 /nfs/dbraw/zinc/23/86/90/320238690.db2.gz PYWMEWJLBKWIAC-UHFFFAOYSA-N 0 0 338.379 2.944 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)CO ZINC000181623734 323242139 /nfs/dbraw/zinc/24/21/39/323242139.db2.gz NNFWSYUMXSNQNX-GHMZBOCLSA-N 0 0 326.418 2.842 10 5 EFBERN Cc1nn(C)c(C)c1CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000182236641 323271589 /nfs/dbraw/zinc/27/15/89/323271589.db2.gz DNDYJBZSRVZJLB-UHFFFAOYSA-N 0 0 330.388 2.616 10 5 EFBERN Cc1cc(NC(=O)c2cc(S(C)(=O)=O)cs2)ccc1[N+](=O)[O-] ZINC000182426283 323282904 /nfs/dbraw/zinc/28/29/04/323282904.db2.gz QTMHPHOWYLCENV-UHFFFAOYSA-N 0 0 340.382 2.621 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(N(C)C)c1C ZINC000182999627 323311805 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Cc1ccc([C@@H](C)NC(=O)c2ccc3nnn(C)c3c2)cc1[N+](=O)[O-] ZINC000184567788 323368349 /nfs/dbraw/zinc/36/83/49/323368349.db2.gz WYXAFOUVMJGZIS-LLVKDONJSA-N 0 0 339.355 2.676 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185227432 323387855 /nfs/dbraw/zinc/38/78/55/323387855.db2.gz SXOMFRXEGXDGBQ-GHMZBOCLSA-N 0 0 340.351 2.685 10 5 EFBERN CCC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000186596976 323410610 /nfs/dbraw/zinc/41/06/10/323410610.db2.gz ZIOGCEXXINVJKB-LBPRGKRZSA-N 0 0 342.417 2.947 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2c2cccn2C)n1 ZINC000191763623 323470045 /nfs/dbraw/zinc/47/00/45/323470045.db2.gz HQPGHOTVYCXMFC-AWEZNQCLSA-N 0 0 345.403 2.907 10 5 EFBERN CC1(C)OCC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000296729297 323597976 /nfs/dbraw/zinc/59/79/76/323597976.db2.gz SSIDNUGJEYLNDR-CYBMUJFWSA-N 0 0 341.795 2.657 10 5 EFBERN Cn1nccc1[C@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296877366 323664049 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EFBERN O=C(NCc1cccc(CO)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000578888692 323836330 /nfs/dbraw/zinc/83/63/30/323836330.db2.gz LJKVMXKBVQOEKQ-UHFFFAOYSA-N 0 0 343.364 2.627 10 5 EFBERN COC(=O)c1cc(C)nc(NC[C@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC000578900282 323838235 /nfs/dbraw/zinc/83/82/35/323838235.db2.gz PJUHEXGXTHGTEZ-SNVBAGLBSA-N 0 0 349.412 2.859 10 5 EFBERN CC1(C)CN(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000579490971 323970751 /nfs/dbraw/zinc/97/07/51/323970751.db2.gz NFHWWTLAFNNBBX-OAHLLOKOSA-N 0 0 335.429 2.511 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000579746476 324024014 /nfs/dbraw/zinc/02/40/14/324024014.db2.gz PTAYGIFUEYQXHC-HZPDHXFCSA-N 0 0 346.408 2.992 10 5 EFBERN O=C(NC12CCC(CC1)CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580292947 324134629 /nfs/dbraw/zinc/13/46/29/324134629.db2.gz LVWGWIZGZVPZHO-UHFFFAOYSA-N 0 0 332.356 2.819 10 5 EFBERN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC(F)(F)C1 ZINC000580310332 324138318 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COc1ccc(O[C@H](C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000053217662 471984455 /nfs/dbraw/zinc/98/44/55/471984455.db2.gz QCGZJZMOOFUBCC-CYBMUJFWSA-N 0 0 344.367 2.730 10 5 EFBERN COC(=O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067055858 471986676 /nfs/dbraw/zinc/98/66/76/471986676.db2.gz GVCOZVDRDFJQLY-UHFFFAOYSA-N 0 0 342.351 2.719 10 5 EFBERN Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067072410 471988960 /nfs/dbraw/zinc/98/89/60/471988960.db2.gz BVKJUMRBOPJYHN-UHFFFAOYSA-N 0 0 344.415 2.923 10 5 EFBERN O=C(CN1CCC(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000034094231 471989335 /nfs/dbraw/zinc/98/93/35/471989335.db2.gz VRMMJSNQPSYILY-UHFFFAOYSA-N 0 0 340.383 2.808 10 5 EFBERN O=C(COc1cccnc1[N+](=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000021846411 472005462 /nfs/dbraw/zinc/00/54/62/472005462.db2.gz GNNALVBRDZVYHS-LLVKDONJSA-N 0 0 333.369 2.794 10 5 EFBERN COC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000067502181 472040996 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EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(=O)n2ccccc2n1 ZINC000024863532 472070896 /nfs/dbraw/zinc/07/08/96/472070896.db2.gz OJFLRFGUBCXKKA-CYBMUJFWSA-N 0 0 338.367 2.796 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000067807587 472092020 /nfs/dbraw/zinc/09/20/20/472092020.db2.gz SDZCJYVSMFZZHA-HNNXBMFYSA-N 0 0 330.388 2.656 10 5 EFBERN Cc1csc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000067857069 472098349 /nfs/dbraw/zinc/09/83/49/472098349.db2.gz GTJGMJAUGFGGPA-VIFPVBQESA-N 0 0 349.368 2.622 10 5 EFBERN Cc1nc(C2(NC(=O)c3cc([N+](=O)[O-])cnc3C)CCCCC2)no1 ZINC000041933722 472098484 /nfs/dbraw/zinc/09/84/84/472098484.db2.gz RKBAQOHAPUAREL-UHFFFAOYSA-N 0 0 345.359 2.579 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)C1CCCC1 ZINC000042159517 472119788 /nfs/dbraw/zinc/11/97/88/472119788.db2.gz VABGOAYPNJEARI-UHFFFAOYSA-N 0 0 340.401 2.699 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000054921640 472125782 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COCCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000028202539 472216827 /nfs/dbraw/zinc/21/68/27/472216827.db2.gz QLZNMWFQNBXJKW-CYBMUJFWSA-N 0 0 335.404 2.597 10 5 EFBERN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000084785725 472218802 /nfs/dbraw/zinc/21/88/02/472218802.db2.gz BQDYKUKZDOCDJY-OLZOCXBDSA-N 0 0 340.763 2.710 10 5 EFBERN Cc1ccc([C@H](C)OC(=O)CS(=O)(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000084808179 472219645 /nfs/dbraw/zinc/21/96/45/472219645.db2.gz MCIACHNCSLKIMT-LBPRGKRZSA-N 0 0 343.401 2.578 10 5 EFBERN CCOCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808665 472219563 /nfs/dbraw/zinc/21/95/63/472219563.db2.gz OZENTRPRUHUIMD-QWHCGFSZSA-N 0 0 325.361 2.949 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc2ccccc2n1 ZINC000075909310 472221102 /nfs/dbraw/zinc/22/11/02/472221102.db2.gz JFLSRJNDWOVJHH-UHFFFAOYSA-N 0 0 337.335 2.838 10 5 EFBERN Cc1c(NC(=O)NC[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000043346828 472226743 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O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2ccccc2C1 ZINC000069319736 472321095 /nfs/dbraw/zinc/32/10/95/472321095.db2.gz XAVVQSXJNPAYAP-OAHLLOKOSA-N 0 0 326.352 2.647 10 5 EFBERN Cc1csc([C@H](C)NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000069325275 472322594 /nfs/dbraw/zinc/32/25/94/472322594.db2.gz AFWLKCUNJJRYOB-NSHDSACASA-N 0 0 349.416 2.832 10 5 EFBERN CC(C)Cn1ccnc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087389649 472332650 /nfs/dbraw/zinc/33/26/50/472332650.db2.gz FBWLJOHHJADYGG-UHFFFAOYSA-N 0 0 330.388 2.696 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000030494265 472334299 /nfs/dbraw/zinc/33/42/99/472334299.db2.gz ZTHVMPNKBCMLAI-GMXVVIOVSA-N 0 0 342.417 2.706 10 5 EFBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000088197706 472346406 /nfs/dbraw/zinc/34/64/06/472346406.db2.gz XITYMVQEJJNPEW-CYBMUJFWSA-N 0 0 343.387 2.576 10 5 EFBERN CCOc1cc(C(=O)Nc2cc(CC)[nH]n2)c([N+](=O)[O-])cc1OC ZINC000076428256 472346382 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C[NH+](C)C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000129133969 472524880 /nfs/dbraw/zinc/52/48/80/472524880.db2.gz DQGYAHLBQLOYSM-QGZVFWFLSA-N 0 0 342.399 2.697 10 5 EFBERN CCOC(=O)CC[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000089881790 472531846 /nfs/dbraw/zinc/53/18/46/472531846.db2.gz GFJCBPYCJGDKFQ-VIFPVBQESA-N 0 0 328.752 2.710 10 5 EFBERN CN(CC(=O)NC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883875 472532737 /nfs/dbraw/zinc/53/27/37/472532737.db2.gz WMOFTARJDULOEX-UHFFFAOYSA-N 0 0 346.387 2.596 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(n3cccc3)CC2)c1 ZINC000058365965 472555794 /nfs/dbraw/zinc/55/57/94/472555794.db2.gz OSRJQNPPFRWSFL-UHFFFAOYSA-N 0 0 329.356 2.882 10 5 EFBERN CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000071793805 472566091 /nfs/dbraw/zinc/56/60/91/472566091.db2.gz WSRPVXWYCYEVRX-PMPSAXMXSA-N 0 0 332.400 2.983 10 5 EFBERN CC(C)(C)c1nc(-c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)no1 ZINC000058423768 472568015 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EFBERN CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000077734477 472597704 /nfs/dbraw/zinc/59/77/04/472597704.db2.gz LOVBLFFCLUQMHY-GFCCVEGCSA-N 0 0 349.387 2.815 10 5 EFBERN C[C@@H](c1cccc(O)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071892975 472603451 /nfs/dbraw/zinc/60/34/51/472603451.db2.gz HKUUAGWIXCLIFM-LBPRGKRZSA-N 0 0 329.356 2.932 10 5 EFBERN CC[C@H](O)c1ccc(Oc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000071905771 472612616 /nfs/dbraw/zinc/61/26/16/472612616.db2.gz JFJRVWWHUZESOY-ZDUSSCGKSA-N 0 0 341.323 2.838 10 5 EFBERN CC[C@H](NC(=O)COc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090466326 472622366 /nfs/dbraw/zinc/62/23/66/472622366.db2.gz JKHQTCCGZKSTJQ-HNNXBMFYSA-N 0 0 346.387 2.591 10 5 EFBERN COCc1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cs1 ZINC000103374787 472628161 /nfs/dbraw/zinc/62/81/61/472628161.db2.gz WAJQDSNEEHAYAF-SECBINFHSA-N 0 0 333.369 2.789 10 5 EFBERN COC(=O)c1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103375711 472628182 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COc1ccccc1CCN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000103864594 472649162 /nfs/dbraw/zinc/64/91/62/472649162.db2.gz XZKVGFINERYQCE-UHFFFAOYSA-N 0 0 343.383 2.988 10 5 EFBERN Cc1ccc([C@@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)cc1 ZINC000077988397 472649751 /nfs/dbraw/zinc/64/97/51/472649751.db2.gz LJJQHTYGFMHSEO-LBPRGKRZSA-N 0 0 349.412 2.766 10 5 EFBERN CCc1cccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000131134045 472650756 /nfs/dbraw/zinc/65/07/56/472650756.db2.gz CYGVEXZGKKZHJU-UHFFFAOYSA-N 0 0 347.396 2.896 10 5 EFBERN O=[N+]([O-])c1ccc(Nc2cnn(-c3ncccn3)c2)c2ccncc21 ZINC000077995974 472651241 /nfs/dbraw/zinc/65/12/41/472651241.db2.gz BSEONBGCYSRJFN-UHFFFAOYSA-N 0 0 333.311 2.862 10 5 EFBERN Cc1cc(NC(=O)[C@H]2CCCN2c2nccs2)ccc1[N+](=O)[O-] ZINC000131201961 472655598 /nfs/dbraw/zinc/65/55/98/472655598.db2.gz WDPMHODJKPNPHY-CYBMUJFWSA-N 0 0 332.385 2.967 10 5 EFBERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1nccc1[N+](=O)[O-] ZINC000047169329 472663615 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Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173454322 473843326 /nfs/dbraw/zinc/84/33/26/473843326.db2.gz CUECBPBZJQNIPR-NSHDSACASA-N 0 0 330.388 2.615 10 5 EFBERN CCc1ccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000173473433 473848936 /nfs/dbraw/zinc/84/89/36/473848936.db2.gz VVBZOIIYYVYPIX-NSHDSACASA-N 0 0 344.415 2.869 10 5 EFBERN Cn1nc2c(c1NC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CCC2 ZINC000263846425 473874303 /nfs/dbraw/zinc/87/43/03/473874303.db2.gz XJVXKALZAZTBDP-UHFFFAOYSA-N 0 0 325.328 2.551 10 5 EFBERN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000288207814 473875269 /nfs/dbraw/zinc/87/52/69/473875269.db2.gz CZAPCAJYONMCHR-HIFRSBDPSA-N 0 0 328.372 2.791 10 5 EFBERN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000288207807 473876035 /nfs/dbraw/zinc/87/60/35/473876035.db2.gz CZAPCAJYONMCHR-DZGCQCFKSA-N 0 0 328.372 2.791 10 5 EFBERN CCc1cc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])ccc1C ZINC000180491157 473890457 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COC(=O)c1cc(C)nc(N[C@@H](C)[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000288375367 473924803 /nfs/dbraw/zinc/92/48/03/473924803.db2.gz YYYAEQDVEUTIMM-XHDPSFHLSA-N 0 0 345.355 2.619 10 5 EFBERN CCc1n[nH]c(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC000173751965 473925562 /nfs/dbraw/zinc/92/55/62/473925562.db2.gz PPCQXQDZZZHLOF-SNVBAGLBSA-N 0 0 349.416 2.665 10 5 EFBERN COc1cc([N+](=O)[O-])c(C(=O)N2CCCn3nccc32)cc1SC ZINC000263991648 473931245 /nfs/dbraw/zinc/93/12/45/473931245.db2.gz HAYGCCMTTQVXFM-UHFFFAOYSA-N 0 0 348.384 2.572 10 5 EFBERN CCC1(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000194645454 473931280 /nfs/dbraw/zinc/93/12/80/473931280.db2.gz CIICIPIXWDMXQV-UHFFFAOYSA-N 0 0 325.752 2.636 10 5 EFBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC000274742526 473940762 /nfs/dbraw/zinc/94/07/62/473940762.db2.gz KHCUPLBXUIEVRA-ZDUSSCGKSA-N 0 0 342.399 2.959 10 5 EFBERN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000180706589 473947944 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C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cccnc1 ZINC000174069939 473982912 /nfs/dbraw/zinc/98/29/12/473982912.db2.gz CAJWJSVCRJYKTM-SNVBAGLBSA-N 0 0 338.327 2.517 10 5 EFBERN Cc1cc([N+](=O)[O-])cn(CCOc2ccc(Cl)c(F)c2)c1=O ZINC000188112731 473987717 /nfs/dbraw/zinc/98/77/17/473987717.db2.gz PVIPEBDERZRCEC-UHFFFAOYSA-N 0 0 326.711 2.936 10 5 EFBERN Cc1nsc(N2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000174167700 473999322 /nfs/dbraw/zinc/99/93/22/473999322.db2.gz VQBXFIFGKCISMP-UHFFFAOYSA-N 0 0 339.446 2.529 10 5 EFBERN COc1ccc(O)cc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000188208501 474019353 /nfs/dbraw/zinc/01/93/53/474019353.db2.gz MOIMHLBVLHJMDN-UHFFFAOYSA-N 0 0 330.340 2.974 10 5 EFBERN Cc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000181338857 474028011 /nfs/dbraw/zinc/02/80/11/474028011.db2.gz CHRCFVYRULYKKT-LLVKDONJSA-N 0 0 331.347 2.992 10 5 EFBERN COc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000195236837 474036166 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COc1cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1O ZINC000195493666 474084061 /nfs/dbraw/zinc/08/40/61/474084061.db2.gz LMZMPWXMDBIDFB-UHFFFAOYSA-N 0 0 341.323 2.720 10 5 EFBERN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188410432 474086650 /nfs/dbraw/zinc/08/66/50/474086650.db2.gz FETIZLVHRHZHSU-OAHLLOKOSA-N 0 0 348.380 2.705 10 5 EFBERN CCOC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195520488 474086980 /nfs/dbraw/zinc/08/69/80/474086980.db2.gz WZOXTBBWYLGJSY-UHFFFAOYSA-N 0 0 329.312 2.727 10 5 EFBERN O=[N+]([O-])c1ccc(Oc2cc(-n3ccnc3)ncn2)c2cccnc21 ZINC000613704578 480084725 /nfs/dbraw/zinc/08/47/25/480084725.db2.gz SVCWDLBPRVVPOC-UHFFFAOYSA-N 0 0 334.295 2.911 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288944000 474098141 /nfs/dbraw/zinc/09/81/41/474098141.db2.gz OIPYSDURBBVDQT-UHFFFAOYSA-N 0 0 340.335 2.917 10 5 EFBERN Cc1ccccc1[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)C1CC1 ZINC000264753188 474115493 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EFBERN CC(C)(C)NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000188648286 474153333 /nfs/dbraw/zinc/15/33/33/474153333.db2.gz UCEKFUUDBQDLDE-UHFFFAOYSA-N 0 0 349.156 2.790 10 5 EFBERN COc1ccccc1[C@@H](O)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000275350525 474154408 /nfs/dbraw/zinc/15/44/08/474154408.db2.gz JNMBNNOLXNIPPW-HNNXBMFYSA-N 0 0 329.356 2.717 10 5 EFBERN CC[C@@H](NC(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000175187452 474156870 /nfs/dbraw/zinc/15/68/70/474156870.db2.gz JLMPUPBIHXBIBL-OAHLLOKOSA-N 0 0 342.355 2.967 10 5 EFBERN CCOC(=O)CC[C@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000270548855 474165368 /nfs/dbraw/zinc/16/53/68/474165368.db2.gz LSMKACLKLWHQPU-JTQLQIEISA-N 0 0 340.401 2.778 10 5 EFBERN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(C[C@H]3CCCO3)no2)n1 ZINC000270601590 474186144 /nfs/dbraw/zinc/18/61/44/474186144.db2.gz LOQJHXUJSOORSE-LLVKDONJSA-N 0 0 341.327 2.552 10 5 EFBERN Cc1c(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000188776344 474193103 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344.327 2.622 10 5 EFBERN C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc2S1 ZINC000271021916 474372595 /nfs/dbraw/zinc/37/25/95/474372595.db2.gz OAHBTIBIDUTHAX-JTQLQIEISA-N 0 0 332.385 2.859 10 5 EFBERN CN1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc21 ZINC000176110375 474386345 /nfs/dbraw/zinc/38/63/45/474386345.db2.gz AFIPEFZNDOQWCJ-GFCCVEGCSA-N 0 0 340.383 2.531 10 5 EFBERN Cc1sc(C(=O)NCc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000176112567 474386381 /nfs/dbraw/zinc/38/63/81/474386381.db2.gz YBNFTBMETOBCPQ-UHFFFAOYSA-N 0 0 334.332 2.910 10 5 EFBERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183597803 474398802 /nfs/dbraw/zinc/39/88/02/474398802.db2.gz XFWXXJIJEWSCJL-LLVKDONJSA-N 0 0 330.344 2.790 10 5 EFBERN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](c2ccccc2)O1 ZINC000176183464 474404173 /nfs/dbraw/zinc/40/41/73/474404173.db2.gz BAYMVYKIFUQVHI-LRDDRELGSA-N 0 0 341.367 2.779 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000289741684 474404562 /nfs/dbraw/zinc/40/45/62/474404562.db2.gz JMPGGFSZTMBMJV-JTQLQIEISA-N 0 0 331.376 2.941 10 5 EFBERN COc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000176204622 474409535 /nfs/dbraw/zinc/40/95/35/474409535.db2.gz PFAKUUUJLGHSOV-UHFFFAOYSA-N 0 0 340.332 2.852 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000176218557 474412707 /nfs/dbraw/zinc/41/27/07/474412707.db2.gz SYVOHTAQZKLGFV-RHSMWYFYSA-N 0 0 341.367 2.991 10 5 EFBERN CC1(C)CO[C@@H](c2ccccc2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176227713 474415697 /nfs/dbraw/zinc/41/56/97/474415697.db2.gz GSDWNGPXOQNMGK-OAHLLOKOSA-N 0 0 330.388 2.643 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H](C)O1 ZINC000634023017 480100332 /nfs/dbraw/zinc/10/03/32/480100332.db2.gz BGGAMQVVRDBMEE-QFSBIZTOSA-N 0 0 336.391 2.977 10 5 EFBERN CC[C@H](NC(=O)NCCn1cc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000176247903 474419557 /nfs/dbraw/zinc/41/95/57/474419557.db2.gz KVPNGFGYHZRWEE-HNNXBMFYSA-N 0 0 331.376 2.550 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](OC)C2)cc1Cl ZINC000276130369 474427306 /nfs/dbraw/zinc/42/73/06/474427306.db2.gz ZXMCYSOBOKSFNX-LKFCYVNXSA-N 0 0 342.779 2.896 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000176333806 474443215 /nfs/dbraw/zinc/44/32/15/474443215.db2.gz YRFGZSIAWAKUET-CQSZACIVSA-N 0 0 329.360 2.796 10 5 EFBERN Cc1cc(C(=O)Nc2cccc(-c3ncon3)c2)c(N)c([N+](=O)[O-])c1 ZINC000176353942 474449622 /nfs/dbraw/zinc/44/96/22/474449622.db2.gz VZGNTMVYQCFECP-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN CC(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000276209583 474453410 /nfs/dbraw/zinc/45/34/10/474453410.db2.gz LBDFRLUBFWGXTG-AWEZNQCLSA-N 0 0 330.388 2.573 10 5 EFBERN Cc1c(C(=O)N[C@@H]2CSC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000283642774 474456896 /nfs/dbraw/zinc/45/68/96/474456896.db2.gz QFECEWMJAXJTNP-LLVKDONJSA-N 0 0 339.373 2.744 10 5 EFBERN C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)O1 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O=C(CSc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCOC2 ZINC000347339584 475246770 /nfs/dbraw/zinc/24/67/70/475246770.db2.gz VGNRKYNCGNREFT-MRXNPFEDSA-N 0 0 336.413 2.716 10 5 EFBERN CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000361185696 475254223 /nfs/dbraw/zinc/25/42/23/475254223.db2.gz CSCMAAXKWVLAHP-ZDUSSCGKSA-N 0 0 347.396 2.969 10 5 EFBERN CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000361185695 475254632 /nfs/dbraw/zinc/25/46/32/475254632.db2.gz CSCMAAXKWVLAHP-CYBMUJFWSA-N 0 0 347.396 2.969 10 5 EFBERN COc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2)ccc1O ZINC000352399620 475256656 /nfs/dbraw/zinc/25/66/56/475256656.db2.gz MNYRCRLLSLRCAL-UHFFFAOYSA-N 0 0 332.356 2.950 10 5 EFBERN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000341728780 475257226 /nfs/dbraw/zinc/25/72/26/475257226.db2.gz LFTTYXYWLBSFSX-UHFFFAOYSA-N 0 0 326.106 2.906 10 5 EFBERN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000357915319 475257464 /nfs/dbraw/zinc/25/74/64/475257464.db2.gz UDRRVHGIXDZPPH-QMMMGPOBSA-N 0 0 342.277 2.838 10 5 EFBERN C[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000341730881 475257707 /nfs/dbraw/zinc/25/77/07/475257707.db2.gz VBHIEVQHQWGBOT-SNVBAGLBSA-N 0 0 342.417 2.512 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(Cc2nccn2C)CC1 ZINC000352406505 475263363 /nfs/dbraw/zinc/26/33/63/475263363.db2.gz QENRUPGQBCMKAZ-HNNXBMFYSA-N 0 0 343.431 2.516 10 5 EFBERN CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000361209360 475271282 /nfs/dbraw/zinc/27/12/82/475271282.db2.gz FPHSIPPZIFIMOT-ZDUSSCGKSA-N 0 0 347.396 2.969 10 5 EFBERN CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000361209359 475271609 /nfs/dbraw/zinc/27/16/09/475271609.db2.gz FPHSIPPZIFIMOT-CYBMUJFWSA-N 0 0 347.396 2.969 10 5 EFBERN Nc1c(C(=O)N2CC(c3ccccc3F)C2)cc(F)cc1[N+](=O)[O-] ZINC000361210795 475272260 /nfs/dbraw/zinc/27/22/60/475272260.db2.gz COIVKTIDWMBJPY-UHFFFAOYSA-N 0 0 333.294 2.695 10 5 EFBERN CNc1c(C(=O)Nc2ccc3nc(C)cn3c2)cccc1[N+](=O)[O-] ZINC000361211062 475272278 /nfs/dbraw/zinc/27/22/78/475272278.db2.gz NGZOERAZQLYKFK-UHFFFAOYSA-N 0 0 325.328 2.845 10 5 EFBERN Cc1ccc(NC(=O)NCCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000339521854 475272891 /nfs/dbraw/zinc/27/28/91/475272891.db2.gz UZZCXIUXTRKECW-UHFFFAOYSA-N 0 0 341.371 2.935 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cnc(C2CC2)nc1 ZINC000339522450 475273525 /nfs/dbraw/zinc/27/35/25/475273525.db2.gz ICESQJCMFOXTIZ-UHFFFAOYSA-N 0 0 341.371 2.935 10 5 EFBERN CCCc1n[nH]c(C(=O)N2CC(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000361219038 475279429 /nfs/dbraw/zinc/27/94/29/475279429.db2.gz BZSUCMWVMZXLME-UHFFFAOYSA-N 0 0 332.335 2.649 10 5 EFBERN Cc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2=O)cc1 ZINC000357947566 475283291 /nfs/dbraw/zinc/28/32/91/475283291.db2.gz QVUKPGRLYGQCKN-HNNXBMFYSA-N 0 0 326.356 2.511 10 5 EFBERN Cn1cncc1Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000357949454 475285541 /nfs/dbraw/zinc/28/55/41/475285541.db2.gz BAWLHBKIWPQKFR-UHFFFAOYSA-N 0 0 340.343 2.543 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3ccccc3)s2)n1 ZINC000357955141 475289464 /nfs/dbraw/zinc/28/94/64/475289464.db2.gz NGDPAVHIRLMTQE-UHFFFAOYSA-N 0 0 329.341 2.704 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2cnn(C)c2)c1 ZINC000341777174 475292604 /nfs/dbraw/zinc/29/26/04/475292604.db2.gz UJYHHTFOUVVNJH-HNNXBMFYSA-N 0 0 344.371 2.704 10 5 EFBERN COc1cc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000352434577 475292851 /nfs/dbraw/zinc/29/28/51/475292851.db2.gz XYWPJYVGTYAIJD-HNNXBMFYSA-N 0 0 346.387 2.854 10 5 EFBERN CCCc1n[nH]c(C(=O)N(C)Cc2ccccc2OCC)c1[N+](=O)[O-] ZINC000345600289 475295285 /nfs/dbraw/zinc/29/52/85/475295285.db2.gz NIWBHASNYRANEO-UHFFFAOYSA-N 0 0 346.387 2.941 10 5 EFBERN COC[C@H]1CCN(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000337751923 475295598 /nfs/dbraw/zinc/29/55/98/475295598.db2.gz GJBLTZCGTFDYAT-ZDUSSCGKSA-N 0 0 333.388 2.648 10 5 EFBERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352443169 475301421 /nfs/dbraw/zinc/30/14/21/475301421.db2.gz FNJKCSBHWOREHF-HWPZZCPQSA-N 0 0 340.335 2.987 10 5 EFBERN CCOC(=O)CC1(NC(=O)c2csc([N+](=O)[O-])c2)CCCC1 ZINC000345627532 475317440 /nfs/dbraw/zinc/31/74/40/475317440.db2.gz PLZCYWCCTXAEDU-UHFFFAOYSA-N 0 0 326.374 2.652 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000337788482 475323789 /nfs/dbraw/zinc/32/37/89/475323789.db2.gz RPUNVRQOXHZHRW-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000354724602 475359579 /nfs/dbraw/zinc/35/95/79/475359579.db2.gz DQDWPJVGCLZREP-UPJWGTAASA-N 0 0 343.387 2.682 10 5 EFBERN Cc1csc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000348097987 475385672 /nfs/dbraw/zinc/38/56/72/475385672.db2.gz XPBTXSMONLURQR-NSHDSACASA-N 0 0 334.401 2.957 10 5 EFBERN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4cccnc4)no3)n2)c1 ZINC000345712346 475387228 /nfs/dbraw/zinc/38/72/28/475387228.db2.gz SFLCFGRIXNRVDO-UHFFFAOYSA-N 0 0 334.295 2.893 10 5 EFBERN COc1cc(CN2CCCc3c(C(N)=O)cccc32)ccc1[N+](=O)[O-] ZINC000352535494 475391244 /nfs/dbraw/zinc/39/12/44/475391244.db2.gz RIUVARHRSSBLDX-UHFFFAOYSA-N 0 0 341.367 2.655 10 5 EFBERN CCC1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000337868576 475392167 /nfs/dbraw/zinc/39/21/67/475392167.db2.gz MCQLUDXTIXCTCQ-UHFFFAOYSA-N 0 0 342.417 2.804 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](CC(N)=O)c1ccccc1 ZINC000358091915 475392588 /nfs/dbraw/zinc/39/25/88/475392588.db2.gz UKAWVBGQTWFYSU-INIZCTEOSA-N 0 0 341.367 2.592 10 5 EFBERN O=C(NCc1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000339669144 475392649 /nfs/dbraw/zinc/39/26/49/475392649.db2.gz AROXXYMHHHUIET-UHFFFAOYSA-N 0 0 338.722 2.810 10 5 EFBERN COc1cc(CN(C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000352539939 475394140 /nfs/dbraw/zinc/39/41/40/475394140.db2.gz FHIHZWZHQLAEDY-DEOSSOPVSA-N 0 0 348.424 2.973 10 5 EFBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000341900090 475394970 /nfs/dbraw/zinc/39/49/70/475394970.db2.gz PPQLJKSMPZUUOW-LURJTMIESA-N 0 0 346.714 2.786 10 5 EFBERN COC(=O)c1cc(C)nc(NCc2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000341927667 475419616 /nfs/dbraw/zinc/41/96/16/475419616.db2.gz DJDOJOMPRVTVIC-UHFFFAOYSA-N 0 0 340.339 2.600 10 5 EFBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2ccc(C)cc2n1 ZINC000358123723 475419926 /nfs/dbraw/zinc/41/99/26/475419926.db2.gz IBBNCNNNJXBHMJ-UHFFFAOYSA-N 0 0 339.355 2.523 10 5 EFBERN COc1ccc(CNC(=O)NCCc2ccsc2)cc1[N+](=O)[O-] ZINC000337910536 475426611 /nfs/dbraw/zinc/42/66/11/475426611.db2.gz HZZCHWUZMXOSNG-UHFFFAOYSA-N 0 0 335.385 2.707 10 5 EFBERN CCc1cc(N[C@H](C)c2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339706282 475428765 /nfs/dbraw/zinc/42/87/65/475428765.db2.gz QTNYMLCWQSWXGT-LLVKDONJSA-N 0 0 338.371 2.932 10 5 EFBERN Cc1ccncc1CN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361436753 475449644 /nfs/dbraw/zinc/44/96/44/475449644.db2.gz BNGDADBIXPGDKE-QGZVFWFLSA-N 0 0 340.383 2.536 10 5 EFBERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000337975614 475475749 /nfs/dbraw/zinc/47/57/49/475475749.db2.gz CVUHZWOROZAZKF-NWDGAFQWSA-N 0 0 345.399 2.567 10 5 EFBERN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@H]2COCC[C@H]21 ZINC000339765101 475480459 /nfs/dbraw/zinc/48/04/59/475480459.db2.gz VPJCEYBRWIZEMQ-QWHCGFSZSA-N 0 0 336.413 2.714 10 5 EFBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000358200324 475482177 /nfs/dbraw/zinc/48/21/77/475482177.db2.gz ZUDCWYJYBZECSE-UONOGXRCSA-N 0 0 342.399 2.560 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000361478704 475482656 /nfs/dbraw/zinc/48/26/56/475482656.db2.gz NJGNRMAOPRESAA-GFCCVEGCSA-N 0 0 343.387 2.712 10 5 EFBERN Cc1n[nH]c(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1[N+](=O)[O-] ZINC000354875716 475483105 /nfs/dbraw/zinc/48/31/05/475483105.db2.gz APSDICJRJHKYRK-CQSZACIVSA-N 0 0 337.339 2.541 10 5 EFBERN CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCCc2cccnc21 ZINC000354878287 475484174 /nfs/dbraw/zinc/48/41/74/475484174.db2.gz BXWNIIBKIXTLCZ-ZDUSSCGKSA-N 0 0 329.360 2.643 10 5 EFBERN CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H](O)C(F)F ZINC000296804080 475484239 /nfs/dbraw/zinc/48/42/39/475484239.db2.gz QZEKTEWJXCDOIZ-WKEGUHRASA-N 0 0 337.710 2.774 10 5 EFBERN C[C@@H](c1cccc(Nc2ccncc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000352642487 475484272 /nfs/dbraw/zinc/48/42/72/475484272.db2.gz ZJHYDLXUIRSVMQ-ZDUSSCGKSA-N 0 0 328.372 2.549 10 5 EFBERN CC(C)CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCCc2cccnc21 ZINC000354878349 475484953 /nfs/dbraw/zinc/48/49/53/475484953.db2.gz CEKQBMNQUVLFKD-CQSZACIVSA-N 0 0 343.387 2.889 10 5 EFBERN Cn1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000345837883 475495335 /nfs/dbraw/zinc/49/53/35/475495335.db2.gz QICWHZMFDGRVKG-UHFFFAOYSA-N 0 0 329.385 2.742 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000338005377 475500115 /nfs/dbraw/zinc/50/01/15/475500115.db2.gz ZCUODKIUNPVPSV-UHFFFAOYSA-N 0 0 340.339 2.685 10 5 EFBERN NC(=O)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000342014034 475504733 /nfs/dbraw/zinc/50/47/33/475504733.db2.gz UBBGLMSABJDFKY-LLVKDONJSA-N 0 0 335.310 2.629 10 5 EFBERN COc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000338018402 475510641 /nfs/dbraw/zinc/51/06/41/475510641.db2.gz PIBUSBGGPVLMGN-UHFFFAOYSA-N 0 0 330.340 2.721 10 5 EFBERN C[C@H]1[C@@H](C(F)(F)F)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237209 475512972 /nfs/dbraw/zinc/51/29/72/475512972.db2.gz YKXYGMVLBONGIV-GWCFXTLKSA-N 0 0 345.321 2.830 10 5 EFBERN C/C=C\C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000361536884 475529170 /nfs/dbraw/zinc/52/91/70/475529170.db2.gz MEESMVZHZITPSI-UYWPIULCSA-N 0 0 334.372 2.542 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000354931092 475532121 /nfs/dbraw/zinc/53/21/21/475532121.db2.gz MZEOQPKKFYLIDP-QGZVFWFLSA-N 0 0 333.388 2.697 10 5 EFBERN CCc1nc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000338039784 475534764 /nfs/dbraw/zinc/53/47/64/475534764.db2.gz LNZCDEXPZVAQIP-UHFFFAOYSA-N 0 0 348.428 2.998 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(-c2ccccc2)no1 ZINC000338043239 475538126 /nfs/dbraw/zinc/53/81/26/475538126.db2.gz ZOTJPABTFJUUQF-UHFFFAOYSA-N 0 0 338.323 2.883 10 5 EFBERN C/C=C\C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000361569292 475555472 /nfs/dbraw/zinc/55/54/72/475555472.db2.gz SFGYDSYUVCUONH-HSBHDXMMSA-N 0 0 340.763 2.876 10 5 EFBERN COc1ccc(NC(=O)N2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000346103250 475559042 /nfs/dbraw/zinc/55/90/42/475559042.db2.gz ZZOYWIQWIHOIFW-MRXNPFEDSA-N 0 0 335.360 2.638 10 5 EFBERN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352722049 475564289 /nfs/dbraw/zinc/56/42/89/475564289.db2.gz NMZBVFPSMFLGFJ-QGZVFWFLSA-N 0 0 343.358 2.971 10 5 EFBERN Cc1ccccc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])cnc2C)[nH][nH]1 ZINC000342155663 475565171 /nfs/dbraw/zinc/56/51/71/475565171.db2.gz BWFSACGSOXKSAC-UHFFFAOYSA-N 0 0 337.339 2.671 10 5 EFBERN CC[C@@H](NC(=O)c1cnc2nccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000352726962 475568906 /nfs/dbraw/zinc/56/89/06/475568906.db2.gz PDNGIFOEMUVIAT-CQSZACIVSA-N 0 0 337.339 2.814 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000338082599 475573892 /nfs/dbraw/zinc/57/38/92/475573892.db2.gz GKAYWWJDWAZQOM-UHFFFAOYSA-N 0 0 337.339 2.795 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)nc2C)n1 ZINC000338091899 475581806 /nfs/dbraw/zinc/58/18/06/475581806.db2.gz OZRRSVUQZOYZOM-UHFFFAOYSA-N 0 0 343.265 2.786 10 5 EFBERN CC(C)(COCC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000348320532 475590657 /nfs/dbraw/zinc/59/06/57/475590657.db2.gz NJGRQGVHPYCPHI-UHFFFAOYSA-N 0 0 328.315 2.792 10 5 EFBERN CCOC(=O)C[C@@H](C)Sc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000342408825 475597031 /nfs/dbraw/zinc/59/70/31/475597031.db2.gz CALWBKXKTIPVKY-SECBINFHSA-N 0 0 342.373 2.519 10 5 EFBERN COc1cc2c(cc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)OCO2 ZINC000352770526 475606938 /nfs/dbraw/zinc/60/69/38/475606938.db2.gz MJSSVSSPTQUFNN-JTQLQIEISA-N 0 0 344.323 2.823 10 5 EFBERN COc1ccc(CNC(=O)[C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000348346124 475608294 /nfs/dbraw/zinc/60/82/94/475608294.db2.gz FRJHWJFROVIHMS-CYBMUJFWSA-N 0 0 344.367 2.935 10 5 EFBERN COc1cc(CN2CC[C@H](C(N)=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000352772911 475608612 /nfs/dbraw/zinc/60/86/12/475608612.db2.gz SLECXNGCSNYHKQ-AWEZNQCLSA-N 0 0 341.367 2.583 10 5 EFBERN CC1(C)[C@@H](O)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361625263 475608846 /nfs/dbraw/zinc/60/88/46/475608846.db2.gz DNLMZRTZNSJEOY-NSHDSACASA-N 0 0 345.302 2.573 10 5 EFBERN Cc1cc(C)n([C@@H](C)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338142505 475623014 /nfs/dbraw/zinc/62/30/14/475623014.db2.gz LLVYCWNYIMGNQV-AWEZNQCLSA-N 0 0 330.388 2.670 10 5 EFBERN CC(C)c1nc([C@H]2COCCN2Cc2csc([N+](=O)[O-])c2)no1 ZINC000355050005 475625047 /nfs/dbraw/zinc/62/50/47/475625047.db2.gz MHCMBJKDFQOZNA-LLVKDONJSA-N 0 0 338.389 2.736 10 5 EFBERN O=C(NCC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000346515130 475625294 /nfs/dbraw/zinc/62/52/94/475625294.db2.gz YDBZNSNPSJUXJG-SECBINFHSA-N 0 0 332.278 2.770 10 5 EFBERN CC(C)C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000346518137 475627149 /nfs/dbraw/zinc/62/71/49/475627149.db2.gz YBFCIATZNFKAKD-QWRGUYRKSA-N 0 0 348.446 2.528 10 5 EFBERN CNC(=O)C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000361648749 475628196 /nfs/dbraw/zinc/62/81/96/475628196.db2.gz UELADHJQWNUDMK-HNNXBMFYSA-N 0 0 331.347 2.701 10 5 EFBERN CNC(=O)C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000361648750 475628710 /nfs/dbraw/zinc/62/87/10/475628710.db2.gz UELADHJQWNUDMK-OAHLLOKOSA-N 0 0 331.347 2.701 10 5 EFBERN O=[N+]([O-])c1ccccc1CN1CCO[C@@H](COc2ccccc2)C1 ZINC000361648841 475629270 /nfs/dbraw/zinc/62/92/70/475629270.db2.gz UYPOSXLMILENET-QGZVFWFLSA-N 0 0 328.368 2.875 10 5 EFBERN C[C@H]1CCCCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000358378941 475631919 /nfs/dbraw/zinc/63/19/19/475631919.db2.gz CWSZHSAESISYEW-NSHDSACASA-N 0 0 335.360 2.527 10 5 EFBERN O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)c1 ZINC000352848779 475652617 /nfs/dbraw/zinc/65/26/17/475652617.db2.gz FJIFLMODHIVIBF-GOSISDBHSA-N 0 0 333.432 2.658 10 5 EFBERN Cc1ccnc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000348425075 475659074 /nfs/dbraw/zinc/65/90/74/475659074.db2.gz RUQPNXZPHQSJOI-UHFFFAOYSA-N 0 0 326.234 2.964 10 5 EFBERN CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000338208020 475674994 /nfs/dbraw/zinc/67/49/94/475674994.db2.gz ORYNNZWGXHLSBW-UHFFFAOYSA-N 0 0 327.340 2.824 10 5 EFBERN COc1c(C)cnc(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1C ZINC000353031930 475682974 /nfs/dbraw/zinc/68/29/74/475682974.db2.gz GIQDBSXZLNSZHF-UHFFFAOYSA-N 0 0 328.372 2.569 10 5 EFBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CCOC(C)(C)C)C1=O ZINC000348505812 475706306 /nfs/dbraw/zinc/70/63/06/475706306.db2.gz OFXICLLOJMAYCO-BXUZGUMPSA-N 0 0 349.387 2.781 10 5 EFBERN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]2COCC[C@@H]21 ZINC000346627751 475714270 /nfs/dbraw/zinc/71/42/70/475714270.db2.gz VCDHTGVIFBSVKM-DOMZBBRYSA-N 0 0 341.367 2.784 10 5 EFBERN C[C@H](COc1ccccc1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000348525639 475726894 /nfs/dbraw/zinc/72/68/94/475726894.db2.gz PANVFNSBDFZPCN-CQSZACIVSA-N 0 0 343.383 2.838 10 5 EFBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(F)F ZINC000297382013 475734592 /nfs/dbraw/zinc/73/45/92/475734592.db2.gz GKEIUSYGQPQVIZ-SCZZXKLOSA-N 0 0 337.710 2.774 10 5 EFBERN CS(=O)(=O)c1ccc(N[C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000340076690 475739629 /nfs/dbraw/zinc/73/96/29/475739629.db2.gz OZCUJNAWCOHUMI-INIZCTEOSA-N 0 0 347.396 2.957 10 5 EFBERN CCCN(C[C@@H]1CCCCO1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361781156 475747009 /nfs/dbraw/zinc/74/70/09/475747009.db2.gz KWRSKLNFCWRZTD-HNNXBMFYSA-N 0 0 349.431 2.839 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338292119 475753604 /nfs/dbraw/zinc/75/36/04/475753604.db2.gz YRJCESYJVJFLBT-JTQLQIEISA-N 0 0 346.309 2.523 10 5 EFBERN COCCn1nc(C)c(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000297430950 475754717 /nfs/dbraw/zinc/75/47/17/475754717.db2.gz HVWNGIMEBKUNSB-UHFFFAOYSA-N 0 0 330.348 2.674 10 5 EFBERN Cc1ccc(S(=O)(=O)N[C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000340096318 475756548 /nfs/dbraw/zinc/75/65/48/475756548.db2.gz VDZCNUWFMYYZIC-MRXNPFEDSA-N 0 0 347.396 2.728 10 5 EFBERN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355222173 475757490 /nfs/dbraw/zinc/75/74/90/475757490.db2.gz GRUORSRCFCTCMU-QWHCGFSZSA-N 0 0 343.383 2.965 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000340098412 475758187 /nfs/dbraw/zinc/75/81/87/475758187.db2.gz BGLKOGXNFHAGIE-MRXNPFEDSA-N 0 0 347.396 2.561 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1cccnc1)C1CC1 ZINC000340099989 475759275 /nfs/dbraw/zinc/75/92/75/475759275.db2.gz ZXMBSPYOZCSDLC-INIZCTEOSA-N 0 0 347.396 2.728 10 5 EFBERN CCC(CC)(NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC ZINC000338305413 475765154 /nfs/dbraw/zinc/76/51/54/475765154.db2.gz KCLSUTOGHCTREH-UHFFFAOYSA-N 0 0 333.344 2.538 10 5 EFBERN O=C(NC[C@H](CO)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355231548 475765183 /nfs/dbraw/zinc/76/51/83/475765183.db2.gz GSCYICUBKYZLEQ-CYBMUJFWSA-N 0 0 339.351 2.582 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](c1cccnc1)C1CC1 ZINC000340112660 475768692 /nfs/dbraw/zinc/76/86/92/475768692.db2.gz QLPYYNQZAICCRT-MRXNPFEDSA-N 0 0 326.356 2.940 10 5 EFBERN Cc1c(NC(=O)C(=O)NC2CC(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000343101329 475768907 /nfs/dbraw/zinc/76/89/07/475768907.db2.gz HJIGCIBCCYLKIB-UHFFFAOYSA-N 0 0 333.388 2.783 10 5 EFBERN Cc1c(CN2C(=O)N[C@@H](CCOC(C)(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000348583924 475770871 /nfs/dbraw/zinc/77/08/71/475770871.db2.gz HCZVPIJQIIJBCP-ZDUSSCGKSA-N 0 0 349.387 2.529 10 5 EFBERN C[C@]12CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000358568944 475777976 /nfs/dbraw/zinc/77/79/76/475777976.db2.gz HINLGDFAVJWAOP-OCCSQVGLSA-N 0 0 325.315 2.510 10 5 EFBERN COCc1nc(CSCc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000355252773 475779346 /nfs/dbraw/zinc/77/93/46/475779346.db2.gz HPAMICJGQMUWOM-UHFFFAOYSA-N 0 0 325.346 2.566 10 5 EFBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc[nH]c(=O)c1 ZINC000355269773 475790069 /nfs/dbraw/zinc/79/00/69/475790069.db2.gz UTXRVQFQBGTOLO-VIFPVBQESA-N 0 0 326.312 2.668 10 5 EFBERN COc1ccc(O)cc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338334526 475797690 /nfs/dbraw/zinc/79/76/90/475797690.db2.gz QZULNUWFIPEXOX-UHFFFAOYSA-N 0 0 330.340 2.624 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCCOC3)c(Br)c1 ZINC000343138975 475802420 /nfs/dbraw/zinc/80/24/20/475802420.db2.gz IYYBMYUIIOQTNQ-CYBMUJFWSA-N 0 0 342.193 2.759 10 5 EFBERN O=C(CC1CCCC1)N1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340152234 475804227 /nfs/dbraw/zinc/80/42/27/475804227.db2.gz UEKIJVVZIQIRSH-UHFFFAOYSA-N 0 0 332.404 2.609 10 5 EFBERN CCOc1ccc(CCNc2ccncc2[N+](=O)[O-])cc1OCC ZINC000340154552 475806243 /nfs/dbraw/zinc/80/62/43/475806243.db2.gz HWMFBGXBBUMJCD-UHFFFAOYSA-N 0 0 331.372 2.864 10 5 EFBERN COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000358608812 475807208 /nfs/dbraw/zinc/80/72/08/475807208.db2.gz SAYGYQQJGRUISO-UHFFFAOYSA-N 0 0 346.339 2.802 10 5 EFBERN O=C1N[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000348667938 475807284 /nfs/dbraw/zinc/80/72/84/475807284.db2.gz CBHCYJJVAQYADO-AWEZNQCLSA-N 0 0 345.742 2.916 10 5 EFBERN O=C(Nc1cccc(CNc2ccncc2[N+](=O)[O-])c1)c1ccccn1 ZINC000340164840 475816324 /nfs/dbraw/zinc/81/63/24/475816324.db2.gz UKBMBQKAHHJKBC-UHFFFAOYSA-N 0 0 349.350 2.671 10 5 EFBERN CCc1nnc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 ZINC000348686909 475817396 /nfs/dbraw/zinc/81/73/96/475817396.db2.gz KPXLTRZAOJFGER-UHFFFAOYSA-N 0 0 332.341 2.685 10 5 EFBERN COc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000346751783 475824794 /nfs/dbraw/zinc/82/47/94/475824794.db2.gz POJLRHZRDGRWEH-UHFFFAOYSA-N 0 0 341.367 2.768 10 5 EFBERN CC(C)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000338377035 475841449 /nfs/dbraw/zinc/84/14/49/475841449.db2.gz NPSIMBLTGCOOMJ-HNNXBMFYSA-N 0 0 339.355 2.765 10 5 EFBERN NC(=O)[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000340223959 475867409 /nfs/dbraw/zinc/86/74/09/475867409.db2.gz UKXSQKPRIYGHAD-LBPRGKRZSA-N 0 0 329.331 2.713 10 5 EFBERN C[C@@H]1CC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000338421333 475886642 /nfs/dbraw/zinc/88/66/42/475886642.db2.gz GVARUVUDJBSPDZ-NXEZZACHSA-N 0 0 348.446 2.528 10 5 EFBERN CC(C)N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1COC1 ZINC000297814588 475895350 /nfs/dbraw/zinc/89/53/50/475895350.db2.gz PMOBYSLQLAFQQN-UHFFFAOYSA-N 0 0 343.177 2.607 10 5 EFBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1N ZINC000355394023 475898782 /nfs/dbraw/zinc/89/87/82/475898782.db2.gz RMOAQXLHMRPPIG-UHFFFAOYSA-N 0 0 335.341 2.586 10 5 EFBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CN1CCc2ccccc21 ZINC000355404134 475906362 /nfs/dbraw/zinc/90/63/62/475906362.db2.gz NUAJELRWHRHQOP-ZDUSSCGKSA-N 0 0 337.379 2.935 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(C(F)(F)F)CCOCC2)c1 ZINC000346856372 475917492 /nfs/dbraw/zinc/91/74/92/475917492.db2.gz ZAJGUPJAOUWKGY-UHFFFAOYSA-N 0 0 332.278 2.745 10 5 EFBERN Cn1nc2ccccc2c1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000346857232 475917669 /nfs/dbraw/zinc/91/76/69/475917669.db2.gz APDJBWDEXNTIID-UHFFFAOYSA-N 0 0 336.311 2.517 10 5 EFBERN Cc1cc(C)n([C@H](C)c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)n1 ZINC000355424999 475925174 /nfs/dbraw/zinc/92/51/74/475925174.db2.gz GGCPQWDFYWDMEO-SNVBAGLBSA-N 0 0 328.332 2.650 10 5 EFBERN Cc1noc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1C ZINC000343301442 475932812 /nfs/dbraw/zinc/93/28/12/475932812.db2.gz OUPUBLOITRHAEN-UHFFFAOYSA-N 0 0 327.300 2.638 10 5 EFBERN Cc1c(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)sc2nccn12 ZINC000355442168 475941405 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EFBERN CNC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000362073134 475978520 /nfs/dbraw/zinc/97/85/20/475978520.db2.gz UJXDIJOOGGLUFA-HNNXBMFYSA-N 0 0 341.367 2.510 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnccc2Oc2ccccc2)n1 ZINC000355490393 475981032 /nfs/dbraw/zinc/98/10/32/475981032.db2.gz DAKWNBOBCYHBOE-UHFFFAOYSA-N 0 0 339.311 2.768 10 5 EFBERN CS(=O)(=O)c1ccc(NCC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000343358187 475983524 /nfs/dbraw/zinc/98/35/24/475983524.db2.gz UEXWTDCZNNWQDO-UHFFFAOYSA-N 0 0 338.307 2.753 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N[C@@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000340390238 476004236 /nfs/dbraw/zinc/00/42/36/476004236.db2.gz JEZVOWJBMQIELY-CYBMUJFWSA-N 0 0 329.360 2.717 10 5 EFBERN COCc1ccc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000338551897 476004284 /nfs/dbraw/zinc/00/42/84/476004284.db2.gz UFBTYZKMQZVLDN-UHFFFAOYSA-N 0 0 341.323 2.606 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)c2nc(C[C@@H]3CCCO3)no2)cc1 ZINC000349841492 476009769 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Cc1ncccc1OC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000416362045 477145034 /nfs/dbraw/zinc/14/50/34/477145034.db2.gz RKIQPKJVBFDPDK-GFCCVEGCSA-N 0 0 331.328 2.575 10 5 EFBERN Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000411185109 477145055 /nfs/dbraw/zinc/14/50/55/477145055.db2.gz MSIHQUHONXGHTD-LSDHHAIUSA-N 0 0 341.367 2.732 10 5 EFBERN C[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416366085 477146630 /nfs/dbraw/zinc/14/66/30/477146630.db2.gz BTAMOPNWOCOPAQ-YUMQZZPRSA-N 0 0 338.307 2.548 10 5 EFBERN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000432161655 477171334 /nfs/dbraw/zinc/17/13/34/477171334.db2.gz JMCIFOWMFXNNAG-SNVBAGLBSA-N 0 0 335.385 2.521 10 5 EFBERN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000366755682 477171873 /nfs/dbraw/zinc/17/18/73/477171873.db2.gz BWPFQRATIDIVEG-UHFFFAOYSA-N 0 0 340.383 2.808 10 5 EFBERN CC[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000411258060 477172214 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Cc1sc(S(=O)(=O)N2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000432330434 477196896 /nfs/dbraw/zinc/19/68/96/477196896.db2.gz AZFFJEMVRFIQFH-SECBINFHSA-N 0 0 330.431 2.918 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CC2CCC1CC2 ZINC000411335312 477198025 /nfs/dbraw/zinc/19/80/25/477198025.db2.gz QESHYSMSJCEULH-PIMMBPRGSA-N 0 0 345.399 2.845 10 5 EFBERN Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000411363277 477206165 /nfs/dbraw/zinc/20/61/65/477206165.db2.gz UEMKIELTAMTMFR-CYBMUJFWSA-N 0 0 331.372 2.656 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC(C(F)F)CC2)s1 ZINC000416556868 477215135 /nfs/dbraw/zinc/21/51/35/477215135.db2.gz GIWZVWIZYWEWLO-UHFFFAOYSA-N 0 0 340.373 2.759 10 5 EFBERN Cc1coc(-c2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc2C)n1 ZINC000371335534 477250568 /nfs/dbraw/zinc/25/05/68/477250568.db2.gz LTISXBGWFVIHMX-UHFFFAOYSA-N 0 0 341.327 2.852 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C2CC2)C1 ZINC000411523099 477263475 /nfs/dbraw/zinc/26/34/75/477263475.db2.gz DGKRKHKSMGHJHK-AWEZNQCLSA-N 0 0 345.399 2.799 10 5 EFBERN C[C@@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000432847337 477277593 /nfs/dbraw/zinc/27/75/93/477277593.db2.gz TVXXJQJVEPNFKL-UKRRQHHQSA-N 0 0 343.383 2.828 10 5 EFBERN CCc1cc(N[C@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432867439 477282112 /nfs/dbraw/zinc/28/21/12/477282112.db2.gz VXBMLOCSCVQNSL-WBMJQRKESA-N 0 0 342.399 2.873 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C(C)(C)C)C1 ZINC000411583791 477284159 /nfs/dbraw/zinc/28/41/59/477284159.db2.gz AKSSTFZJHXBZIQ-UHFFFAOYSA-N 0 0 333.388 2.655 10 5 EFBERN Nc1nccc([C@@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000366981460 477284509 /nfs/dbraw/zinc/28/45/09/477284509.db2.gz KKSCQHVYXQGVIP-LLVKDONJSA-N 0 0 347.806 2.830 10 5 EFBERN C[C@@H](Cc1ccccc1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376329877 477285725 /nfs/dbraw/zinc/28/57/25/477285725.db2.gz FHQASKNFHGFFJT-AWEZNQCLSA-N 0 0 342.399 2.834 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCS2)n1C ZINC000424106685 477293365 /nfs/dbraw/zinc/29/33/65/477293365.db2.gz XUIVYXMEHIZQTC-CQSZACIVSA-N 0 0 347.444 2.970 10 5 EFBERN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)OC(C)(C)C ZINC000424106125 477293738 /nfs/dbraw/zinc/29/37/38/477293738.db2.gz LMYCVNNAXHIFHK-NSHDSACASA-N 0 0 339.392 2.657 10 5 EFBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000458156739 477293800 /nfs/dbraw/zinc/29/38/00/477293800.db2.gz FODBIXXYWSYYPM-CABCVRRESA-N 0 0 334.372 2.681 10 5 EFBERN Nc1ccc(N2CCC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000376385460 477308688 /nfs/dbraw/zinc/30/86/88/477308688.db2.gz POMALSMSRZZZRC-SFHVURJKSA-N 0 0 327.384 2.708 10 5 EFBERN Cc1n[nH]cc1-c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000376395486 477314945 /nfs/dbraw/zinc/31/49/45/477314945.db2.gz DXHQQVLHVCMUET-UHFFFAOYSA-N 0 0 344.356 2.706 10 5 EFBERN CC(=O)c1cc(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000376421434 477326692 /nfs/dbraw/zinc/32/66/92/477326692.db2.gz PHPRMIQOCUAIDQ-LXIYXOSZSA-N 0 0 348.399 2.960 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000376422007 477327035 /nfs/dbraw/zinc/32/70/35/477327035.db2.gz AWPXXZOMSAKYDG-VBHSOAQHSA-N 0 0 348.399 2.960 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1(C2CCC2)CCC1 ZINC000411700170 477334896 /nfs/dbraw/zinc/33/48/96/477334896.db2.gz XKHTWEVRNXWDGC-UHFFFAOYSA-N 0 0 345.399 2.989 10 5 EFBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Oc2cnccn2)CC1 ZINC000376467689 477349592 /nfs/dbraw/zinc/34/95/92/477349592.db2.gz PQSYAVPKAOWDGN-UHFFFAOYSA-N 0 0 342.355 2.635 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@]2(C1)CCCOC2 ZINC000376477914 477354188 /nfs/dbraw/zinc/35/41/88/477354188.db2.gz FFJMARWONKHPME-QGZVFWFLSA-N 0 0 334.372 2.697 10 5 EFBERN CCOc1ccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000371526488 477371455 /nfs/dbraw/zinc/37/14/55/477371455.db2.gz RJQRDEFNNSKOKS-GFCCVEGCSA-N 0 0 330.344 2.694 10 5 EFBERN C[C@@H]1[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)[C@H]1c1ccccc1 ZINC000435801183 477372462 /nfs/dbraw/zinc/37/24/62/477372462.db2.gz SVZNJZLIVSYYHM-RZAIGCCYSA-N 0 0 337.379 2.924 10 5 EFBERN Cc1cc(OCC(=O)Nc2n[nH]c3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000435917402 477393340 /nfs/dbraw/zinc/39/33/40/477393340.db2.gz XTKPJEWHCFMWEJ-UHFFFAOYSA-N 0 0 344.302 2.936 10 5 EFBERN Cc1cc(NC(=O)N2CC(CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000416971721 477396226 /nfs/dbraw/zinc/39/62/26/477396226.db2.gz DRABWPPOFFEWIU-UHFFFAOYSA-N 0 0 341.367 2.681 10 5 EFBERN CC[C@H]1[C@H](CO)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000458414361 477402898 /nfs/dbraw/zinc/40/28/98/477402898.db2.gz GWTCDSDTTCSIQB-RDJZCZTQSA-N 0 0 349.431 2.720 10 5 EFBERN Cc1nc([C@@H]2CCCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000371594701 477403691 /nfs/dbraw/zinc/40/36/91/477403691.db2.gz XJTUXNDOOIGHMP-HNNXBMFYSA-N 0 0 344.371 2.973 10 5 EFBERN COCC[C@H]1CCCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000436007059 477405585 /nfs/dbraw/zinc/40/55/85/477405585.db2.gz WFQRHPAEMOWJIC-CYBMUJFWSA-N 0 0 336.388 2.882 10 5 EFBERN CC1=C[C@@H](C)CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000436006859 477405871 /nfs/dbraw/zinc/40/58/71/477405871.db2.gz NZCZLBISHHKKOS-SNVBAGLBSA-N 0 0 327.340 2.887 10 5 EFBERN CC1=C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000436005013 477406359 /nfs/dbraw/zinc/40/63/59/477406359.db2.gz FWRYNLZZJCAGNC-NSHDSACASA-N 0 0 336.413 2.717 10 5 EFBERN Cc1c(CNC(=O)NCCCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000454859410 477407424 /nfs/dbraw/zinc/40/74/24/477407424.db2.gz SDTRBXPZKLXCEK-UHFFFAOYSA-N 0 0 335.404 2.909 10 5 EFBERN Cc1nc2c(s1)[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 ZINC000371636597 477420320 /nfs/dbraw/zinc/42/03/20/477420320.db2.gz YDZSAEATPPEVTL-LBPRGKRZSA-N 0 0 332.385 2.948 10 5 EFBERN C[C@@H](NC(=O)Cc1ccc2c(c1)NCC2)c1cccc([N+](=O)[O-])c1 ZINC000449100030 477437561 /nfs/dbraw/zinc/43/75/61/477437561.db2.gz VJSMDRIOWOIEHF-GFCCVEGCSA-N 0 0 325.368 2.983 10 5 EFBERN COc1ccc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000436208945 477442201 /nfs/dbraw/zinc/44/22/01/477442201.db2.gz VZBGQKTWAYHTDB-UHFFFAOYSA-N 0 0 339.145 2.576 10 5 EFBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCCOC2 ZINC000376664412 477450744 /nfs/dbraw/zinc/45/07/44/477450744.db2.gz CJDXGJCNUYOFAV-UHFFFAOYSA-N 0 0 347.415 2.740 10 5 EFBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccnc(-n2ccnc2)c1 ZINC000376715713 477472110 /nfs/dbraw/zinc/47/21/10/477472110.db2.gz NMRWIKCXASSCQF-ZZXKWVIFSA-N 0 0 349.350 2.505 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2ccc(CN3CCOCC3)cc2)c(F)c1 ZINC000413030462 477477296 /nfs/dbraw/zinc/47/72/96/477477296.db2.gz HEBVQOCGEZDYJG-UHFFFAOYSA-N 0 0 346.362 2.573 10 5 EFBERN O=[N+]([O-])c1cccc(CNCc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000436421667 477479110 /nfs/dbraw/zinc/47/91/10/477479110.db2.gz XNZWQRJCZGDMBO-UHFFFAOYSA-N 0 0 341.346 2.664 10 5 EFBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000436467891 477486246 /nfs/dbraw/zinc/48/62/46/477486246.db2.gz HGTNQYNAHJDPSK-ZDUSSCGKSA-N 0 0 349.778 2.594 10 5 EFBERN COc1cc(CC2CN(c3ncc([N+](=O)[O-])s3)C2)cc(OC)c1 ZINC000376756315 477490734 /nfs/dbraw/zinc/49/07/34/477490734.db2.gz YSBRETXROMPBMT-UHFFFAOYSA-N 0 0 335.385 2.747 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)c2cc3c(cn2)OCCO3)cc1[N+](=O)[O-] ZINC000424719024 477493488 /nfs/dbraw/zinc/49/34/88/477493488.db2.gz YFWBZACYPFUDFP-LLVKDONJSA-N 0 0 343.339 2.560 10 5 EFBERN C[C@H](NC(=O)N[C@@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000455092966 477496803 /nfs/dbraw/zinc/49/68/03/477496803.db2.gz LHADXXWNVZDMGL-HZMBPMFUSA-N 0 0 335.385 2.750 10 5 EFBERN O=c1[nH]c(N2CCC[C@@H](OCC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000367425058 477504328 /nfs/dbraw/zinc/50/43/28/477504328.db2.gz AFXHLQNHYMHDSL-CYBMUJFWSA-N 0 0 344.371 2.639 10 5 EFBERN C[C@H](NC(=O)N1CC[C@]2(C1)CCCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000455116617 477504837 /nfs/dbraw/zinc/50/48/37/477504837.db2.gz YPOZZJAMYHECFB-GUYCJALGSA-N 0 0 333.388 2.868 10 5 EFBERN C[C@H](NC(=O)NC[C@]1(O)CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000458612067 477508224 /nfs/dbraw/zinc/50/82/24/477508224.db2.gz FDVCQLMEWRUAOB-YVEFUNNKSA-N 0 0 335.404 2.896 10 5 EFBERN CCOC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413089085 477510530 /nfs/dbraw/zinc/51/05/30/477510530.db2.gz WKVJQKXTIVJRPO-ZDUSSCGKSA-N 0 0 347.346 2.963 10 5 EFBERN CC(=O)c1cc(N2CC(O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000367443243 477512895 /nfs/dbraw/zinc/51/28/95/477512895.db2.gz OZPXMUSQMPYGRA-UHFFFAOYSA-N 0 0 330.315 2.644 10 5 EFBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000376831429 477522903 /nfs/dbraw/zinc/52/29/03/477522903.db2.gz JEICBLLLLGPNDJ-FQNOHDAGSA-N 0 0 340.383 2.748 10 5 EFBERN O=[N+]([O-])c1cnc(NCC[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000413131162 477537294 /nfs/dbraw/zinc/53/72/94/477537294.db2.gz DZRPHEHXHMMUOM-SSDOTTSWSA-N 0 0 333.188 2.734 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000455196575 477541071 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477676875 /nfs/dbraw/zinc/67/68/75/477676875.db2.gz ZSFMUWXUQRMRLP-PBHICJAKSA-N 0 0 331.347 2.603 10 5 EFBERN CCCc1ncc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000455543926 477677772 /nfs/dbraw/zinc/67/77/72/477677772.db2.gz VJJQATDETIPSMH-UHFFFAOYSA-N 0 0 346.387 2.919 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3COc3ccccc3)nn21 ZINC000450668656 477678189 /nfs/dbraw/zinc/67/81/89/477678189.db2.gz PJXAVJVJDVJKFE-ZDUSSCGKSA-N 0 0 339.355 2.685 10 5 EFBERN C[C@H](c1ccccc1)[C@@H](O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450690435 477683402 /nfs/dbraw/zinc/68/34/02/477683402.db2.gz GVINFEXKANHVAZ-ACJLOTCBSA-N 0 0 327.384 2.513 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 ZINC000437288279 477690628 /nfs/dbraw/zinc/69/06/28/477690628.db2.gz GUHZFCNHIWKTIC-NWDGAFQWSA-N 0 0 334.763 2.751 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@H](C2CCC2)C1 ZINC000413469977 477690992 /nfs/dbraw/zinc/69/09/92/477690992.db2.gz CDLYEFGTIAZNEL-INIZCTEOSA-N 0 0 334.372 2.695 10 5 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CCNc1ccc(C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000439265309 477953439 /nfs/dbraw/zinc/95/34/39/477953439.db2.gz LCDIYJJPSYDTCK-GJZGRUSLSA-N 0 0 347.415 2.915 10 5 EFBERN Cc1c(CC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000439264620 477953569 /nfs/dbraw/zinc/95/35/69/477953569.db2.gz ZBROONDCVPWYJL-JKSUJKDBSA-N 0 0 332.400 2.721 10 5 EFBERN CCCc1ncc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000456501434 477956960 /nfs/dbraw/zinc/95/69/60/477956960.db2.gz KPMMUQUMHQLIRF-UHFFFAOYSA-N 0 0 342.355 2.876 10 5 EFBERN CCCc1ncc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000456512318 477960977 /nfs/dbraw/zinc/96/09/77/477960977.db2.gz XPITYUJSFZLZAW-UHFFFAOYSA-N 0 0 328.328 2.947 10 5 EFBERN O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451350862 477969110 /nfs/dbraw/zinc/96/91/10/477969110.db2.gz ZYHNTRPWCKILSG-FRFSOERESA-N 0 0 347.415 2.549 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)nc2c1 ZINC000451351219 477969496 /nfs/dbraw/zinc/96/94/96/477969496.db2.gz IKWFFAUAKHMPKO-XKQJLSEDSA-N 0 0 344.415 2.987 10 5 EFBERN CC1(C)COC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000456543831 477975869 /nfs/dbraw/zinc/97/58/69/477975869.db2.gz OKGSTSZOVVAIAZ-LLVKDONJSA-N 0 0 343.177 2.512 10 5 EFBERN COc1cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000439443932 477976643 /nfs/dbraw/zinc/97/66/43/477976643.db2.gz AXLWFJUBIWJZOS-MRXNPFEDSA-N 0 0 339.355 2.601 10 5 EFBERN O=[N+]([O-])c1cccc(F)c1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000439459926 477981114 /nfs/dbraw/zinc/98/11/14/477981114.db2.gz WSTLAIYFLZNSHM-HNNXBMFYSA-N 0 0 327.319 2.731 10 5 EFBERN O=C(NCCC[C@H]1CCCC[C@@H]1O)NCc1cccc([N+](=O)[O-])c1 ZINC000532734733 477982204 /nfs/dbraw/zinc/98/22/04/477982204.db2.gz YAGIBUAEDZBLGA-ZBFHGGJFSA-N 0 0 335.404 2.725 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C)c3ccccc32)n1 ZINC000456611271 478006340 /nfs/dbraw/zinc/00/63/40/478006340.db2.gz QPLJLBJMSAFXIO-ZDUSSCGKSA-N 0 0 343.387 2.512 10 5 EFBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC3(C2)CCOCC3)c1 ZINC000459617068 478011426 /nfs/dbraw/zinc/01/14/26/478011426.db2.gz ITVLGPKXUKZEAR-UHFFFAOYSA-N 0 0 328.315 2.809 10 5 EFBERN C[C@H](NC(=O)N[C@H]1Cc2cccc(O)c2C1)c1ccccc1[N+](=O)[O-] ZINC000428970590 478018036 /nfs/dbraw/zinc/01/80/36/478018036.db2.gz YSUQMWHNNZHRED-AAEUAGOBSA-N 0 0 341.367 2.828 10 5 EFBERN CC(C)(CO)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000533019202 478023315 /nfs/dbraw/zinc/02/33/15/478023315.db2.gz SWCJODFOBGUMPF-HNNXBMFYSA-N 0 0 343.383 2.522 10 5 EFBERN CN(C)c1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC000517026896 478038332 /nfs/dbraw/zinc/03/83/32/478038332.db2.gz PUKRLTSCLICSEL-UHFFFAOYSA-N 0 0 327.388 2.942 10 5 EFBERN CCOc1ccc(C(=O)N[C@H](C)c2cnn(CC)c2)cc1[N+](=O)[O-] ZINC000456682903 478042343 /nfs/dbraw/zinc/04/23/43/478042343.db2.gz DSKXQNAJJJPWKP-LLVKDONJSA-N 0 0 332.360 2.701 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000517176490 478058629 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O=[N+]([O-])c1cnc2ccccc2c1NCc1nc(-c2ccncc2)no1 ZINC000487745070 478069316 /nfs/dbraw/zinc/06/93/16/478069316.db2.gz ZSQPGXUGIFIFED-UHFFFAOYSA-N 0 0 348.322 2.622 10 5 EFBERN CCOc1cccc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)n1 ZINC000487881292 478081578 /nfs/dbraw/zinc/08/15/78/478081578.db2.gz YGUXTWOGJCRSSQ-UHFFFAOYSA-N 0 0 325.324 2.752 10 5 EFBERN O=[N+]([O-])c1ccc2[nH]c(CN3CC4CC3(C(F)(F)F)C4)nc2c1 ZINC000459816100 478106328 /nfs/dbraw/zinc/10/63/28/478106328.db2.gz VWWFJXOIJQPDLT-UHFFFAOYSA-N 0 0 326.278 2.998 10 5 EFBERN CC[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)F ZINC000517694480 478113222 /nfs/dbraw/zinc/11/32/22/478113222.db2.gz RSYXBNFFELHSRW-LBPRGKRZSA-N 0 0 340.330 2.962 10 5 EFBERN COC(=O)CC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488077474 478115496 /nfs/dbraw/zinc/11/54/96/478115496.db2.gz GGOIMHWGZJNQOP-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN O=C(CCNc1c2ccccc2ncc1[N+](=O)[O-])NC1CCCCC1 ZINC000488082820 478117064 /nfs/dbraw/zinc/11/70/64/478117064.db2.gz DLDFAOVTILNPLE-UHFFFAOYSA-N 0 0 342.399 2.816 10 5 EFBERN O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CCN(c2ccccn2)C1 ZINC000488096923 478118409 /nfs/dbraw/zinc/11/84/09/478118409.db2.gz ZBHRMOBBRRWHBI-CYBMUJFWSA-N 0 0 335.367 2.651 10 5 EFBERN CCOC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000533969227 478120536 /nfs/dbraw/zinc/12/05/36/478120536.db2.gz NRQCIFKWQDONBU-UHFFFAOYSA-N 0 0 349.387 2.623 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCC(C)(F)F)c1 ZINC000451610731 478123124 /nfs/dbraw/zinc/12/31/24/478123124.db2.gz UNFYTQSWENXKII-UHFFFAOYSA-N 0 0 336.360 2.925 10 5 EFBERN COc1ccc(F)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000495142901 478129756 /nfs/dbraw/zinc/12/97/56/478129756.db2.gz YTHNWSMJVWYADO-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3c(=O)[nH]2)c1 ZINC000518248556 478154902 /nfs/dbraw/zinc/15/49/02/478154902.db2.gz OTVSEZIYRDTPCJ-UHFFFAOYSA-N 0 0 340.295 2.505 10 5 EFBERN CC[C@@H](NC(=O)N[C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000488643485 478168244 /nfs/dbraw/zinc/16/82/44/478168244.db2.gz KTEWXHRLBRZFTD-UKRRQHHQSA-N 0 0 343.387 2.557 10 5 EFBERN COc1ccc(CC(=O)N[C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000534739489 478172412 /nfs/dbraw/zinc/17/24/12/478172412.db2.gz YDBQXBSHLIBDMP-SFHVURJKSA-N 0 0 341.367 2.808 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(OCCCC(=O)OC(C)(C)C)c1 ZINC000488723270 478174972 /nfs/dbraw/zinc/17/49/72/478174972.db2.gz QPIHRBOJQCXWRD-UHFFFAOYSA-N 0 0 339.344 2.882 10 5 EFBERN CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000561434678 478184788 /nfs/dbraw/zinc/18/47/88/478184788.db2.gz DHXNSIFMOUFCOX-YPMHNXCESA-N 0 0 341.433 2.836 10 5 EFBERN CC[C@@H]1CCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451743850 478188709 /nfs/dbraw/zinc/18/87/09/478188709.db2.gz DUGFCGKKRSWQOY-KGLIPLIRSA-N 0 0 326.418 2.841 10 5 EFBERN COc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000488885839 478196570 /nfs/dbraw/zinc/19/65/70/478196570.db2.gz FVIFNCAOHDOZAN-UHFFFAOYSA-N 0 0 330.275 2.871 10 5 EFBERN O=c1[nH]ncc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Cl ZINC000561697647 478199479 /nfs/dbraw/zinc/19/94/79/478199479.db2.gz INODPQVVVRPQOF-UHFFFAOYSA-N 0 0 333.735 2.880 10 5 EFBERN COc1cc(C(=O)N[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000488951099 478204034 /nfs/dbraw/zinc/20/40/34/478204034.db2.gz RVVIDVAHYGADMO-VIFPVBQESA-N 0 0 344.314 2.920 10 5 EFBERN Cn1nccc1[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000519520898 478228168 /nfs/dbraw/zinc/22/81/68/478228168.db2.gz UOKUNZWQLKMRHX-LLVKDONJSA-N 0 0 326.360 2.589 10 5 EFBERN CC(C)OCc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000536597312 478261577 /nfs/dbraw/zinc/26/15/77/478261577.db2.gz NFWASRGMFXCJKS-UHFFFAOYSA-N 0 0 341.371 2.597 10 5 EFBERN COc1cc(Cc2noc(-c3cccc(O)c3)n2)ccc1[N+](=O)[O-] ZINC000562549558 478267637 /nfs/dbraw/zinc/26/76/37/478267637.db2.gz HCOIURJUWYZTIF-UHFFFAOYSA-N 0 0 327.296 2.950 10 5 EFBERN O=C(NC[C@@H]1CCC2(CCCC2)O1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594204611 478271650 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O=c1[nH]c(NC[C@@H]2CCC3(CCCC3)O2)nc2ccc([N+](=O)[O-])cc21 ZINC000594602682 478461394 /nfs/dbraw/zinc/46/13/94/478461394.db2.gz ZEIMXAOTVYRNMJ-LBPRGKRZSA-N 0 0 344.371 2.569 10 5 EFBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000540130794 478461736 /nfs/dbraw/zinc/46/17/36/478461736.db2.gz QQKCZCWRCOMQLP-AWEZNQCLSA-N 0 0 346.362 2.705 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000600673265 478462004 /nfs/dbraw/zinc/46/20/04/478462004.db2.gz BBGPVKNQBQMBBC-QLFBSQMISA-N 0 0 334.372 2.679 10 5 EFBERN CC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594603249 478462067 /nfs/dbraw/zinc/46/20/67/478462067.db2.gz SJQANOOMENNYSG-WFASDCNBSA-N 0 0 342.417 2.758 10 5 EFBERN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594603243 478462104 /nfs/dbraw/zinc/46/21/04/478462104.db2.gz SJQANOOMENNYSG-DOMZBBRYSA-N 0 0 342.417 2.758 10 5 EFBERN CNc1c(C(=O)NCc2oc(C(C)C)nc2C)cccc1[N+](=O)[O-] ZINC000597685735 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ZINC000591186028 478484999 /nfs/dbraw/zinc/48/49/99/478484999.db2.gz GCACJHZVPNWHDB-GFCCVEGCSA-N 0 0 342.193 2.758 10 5 EFBERN C[C@@H]1CCCN(c2ccc(C(=O)NCC3CSC3)cc2[N+](=O)[O-])C1 ZINC000597748306 478488011 /nfs/dbraw/zinc/48/80/11/478488011.db2.gz LUWDUEAGBCNIEG-GFCCVEGCSA-N 0 0 349.456 2.924 10 5 EFBERN O=C(NCC1CSC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597747570 478488137 /nfs/dbraw/zinc/48/81/37/478488137.db2.gz DGSPDBZVJXYVHG-UHFFFAOYSA-N 0 0 335.410 2.811 10 5 EFBERN Cc1cc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000594685187 478492537 /nfs/dbraw/zinc/49/25/37/478492537.db2.gz FBQGYIZQCUZYHN-NSHDSACASA-N 0 0 335.385 2.678 10 5 EFBERN CC(C)C1(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000591243892 478497685 /nfs/dbraw/zinc/49/76/85/478497685.db2.gz LMOCWEYHVYTWFN-MRXNPFEDSA-N 0 0 331.372 2.798 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC(Cc2cccs2)C1 ZINC000600763969 478509783 /nfs/dbraw/zinc/50/97/83/478509783.db2.gz PSKXFZDEGIQGSV-UHFFFAOYSA-N 0 0 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O=C([O-])[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000594733885 478520746 /nfs/dbraw/zinc/52/07/46/478520746.db2.gz JIRFPJMWXBPMMT-ZACQAIPSSA-N 0 0 348.399 2.939 10 5 EFBERN COc1cccnc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000540987353 478526065 /nfs/dbraw/zinc/52/60/65/478526065.db2.gz NIXKLCPJWKXCDY-UHFFFAOYSA-N 0 0 339.254 2.852 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000600801274 478526562 /nfs/dbraw/zinc/52/65/62/478526562.db2.gz RQABAMAZGUDYHG-LYWQIFSTSA-N 0 0 332.278 2.768 10 5 EFBERN CO[C@H]1C[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000600802523 478527093 /nfs/dbraw/zinc/52/70/93/478527093.db2.gz XTLFAOLLTOOABV-GSJFWJNXSA-N 0 0 347.396 2.873 10 5 EFBERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594744835 478527473 /nfs/dbraw/zinc/52/74/73/478527473.db2.gz BBDGPOWXWABNKS-AWEZNQCLSA-N 0 0 347.396 2.824 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000594748954 478528928 /nfs/dbraw/zinc/52/89/28/478528928.db2.gz QFWGFORUWSIODA-UPJWGTAASA-N 0 0 339.417 2.579 10 5 EFBERN C/C=C/C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600807746 478529349 /nfs/dbraw/zinc/52/93/49/478529349.db2.gz VWTQVHMTNNFXIS-BAABZTOOSA-N 0 0 345.399 2.529 10 5 EFBERN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCCC12CC2 ZINC000600807567 478529666 /nfs/dbraw/zinc/52/96/66/478529666.db2.gz ZZATZHJXIFMCFK-OLZOCXBDSA-N 0 0 349.435 2.524 10 5 EFBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCCC12CC2 ZINC000600807570 478529719 /nfs/dbraw/zinc/52/97/19/478529719.db2.gz ZZATZHJXIFMCFK-QWHCGFSZSA-N 0 0 349.435 2.524 10 5 EFBERN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C2CC2)cn1 ZINC000600811045 478529822 /nfs/dbraw/zinc/52/98/22/478529822.db2.gz LSBXMQTUDJSTLD-MRXNPFEDSA-N 0 0 342.355 2.583 10 5 EFBERN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000594755320 478531535 /nfs/dbraw/zinc/53/15/35/478531535.db2.gz LSAOPSOTNJYTHO-CYBMUJFWSA-N 0 0 339.417 2.723 10 5 EFBERN CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752981 478531584 /nfs/dbraw/zinc/53/15/84/478531584.db2.gz ZJBIOSFPWFKJIF-UHFFFAOYSA-N 0 0 349.412 2.837 10 5 EFBERN C[C@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753197 478531933 /nfs/dbraw/zinc/53/19/33/478531933.db2.gz HYOMNMJAACESJI-GXTWGEPZSA-N 0 0 347.396 2.557 10 5 EFBERN CC(C)(C)[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594753984 478532082 /nfs/dbraw/zinc/53/20/82/478532082.db2.gz NLMCRVHMJKOVMG-LBPRGKRZSA-N 0 0 341.433 2.827 10 5 EFBERN C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)C(F)(F)F ZINC000600817742 478532525 /nfs/dbraw/zinc/53/25/25/478532525.db2.gz VILALJDSDBFJNJ-MRVPVSSYSA-N 0 0 342.277 2.934 10 5 EFBERN CCC[C@@H]1[C@H](C)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759487 478532700 /nfs/dbraw/zinc/53/27/00/478532700.db2.gz OHYUMKFSKUULTD-VXGBXAGGSA-N 0 0 327.406 2.579 10 5 EFBERN CC(C)[C@H]1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594757472 478532895 /nfs/dbraw/zinc/53/28/95/478532895.db2.gz CBXHUSRKWZRWHG-LBPRGKRZSA-N 0 0 349.412 2.810 10 5 EFBERN C[C@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763618 478534196 /nfs/dbraw/zinc/53/41/96/478534196.db2.gz WFODVHICUZJVRE-JSGCOSHPSA-N 0 0 347.396 2.557 10 5 EFBERN CCc1ccc(C(C)(C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594763486 478534353 /nfs/dbraw/zinc/53/43/53/478534353.db2.gz SLUGPYQUKRSFID-UHFFFAOYSA-N 0 0 349.412 2.766 10 5 EFBERN CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761269 478534624 /nfs/dbraw/zinc/53/46/24/478534624.db2.gz WXULTWHSFMUDGD-MNOVXSKESA-N 0 0 327.406 2.578 10 5 EFBERN O=C(Nc1cccc(CCCO)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000541060825 478534871 /nfs/dbraw/zinc/53/48/71/478534871.db2.gz ZHOBPCWBHLDQIQ-UHFFFAOYSA-N 0 0 344.323 2.501 10 5 EFBERN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cncnc1 ZINC000600823406 478535183 /nfs/dbraw/zinc/53/51/83/478535183.db2.gz XYLGULBBRSNDMA-LBPRGKRZSA-N 0 0 326.356 2.680 10 5 EFBERN Cc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769268 478536051 /nfs/dbraw/zinc/53/60/51/478536051.db2.gz GZWWSMQAMHKBLR-ZDUSSCGKSA-N 0 0 349.412 2.550 10 5 EFBERN CC1(C2(NS(=O)(=O)c3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000594780435 478538237 /nfs/dbraw/zinc/53/82/37/478538237.db2.gz KEQCBHLWELQZSC-UHFFFAOYSA-N 0 0 347.396 2.754 10 5 EFBERN CCCC1CCC(N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594780235 478538492 /nfs/dbraw/zinc/53/84/92/478538492.db2.gz ORQOKDFHSPXLOL-UHFFFAOYSA-N 0 0 341.433 2.969 10 5 EFBERN O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000597850591 478539212 /nfs/dbraw/zinc/53/92/12/478539212.db2.gz FLDSHINMYYJMCH-MRXNPFEDSA-N 0 0 341.367 2.624 10 5 EFBERN CC(C)[C@@H]1N(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC12CCCC2 ZINC000594783016 478539494 /nfs/dbraw/zinc/53/94/94/478539494.db2.gz ZHXCGXMJGKPKEO-ZDUSSCGKSA-N 0 0 339.417 2.579 10 5 EFBERN CC1=C[C@H](C)CN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594781786 478539608 /nfs/dbraw/zinc/53/96/08/478539608.db2.gz VGZJVDPELBSEDN-NSHDSACASA-N 0 0 347.396 2.730 10 5 EFBERN CC1=C[C@@H](C)CN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594781785 478539968 /nfs/dbraw/zinc/53/99/68/478539968.db2.gz VGZJVDPELBSEDN-LLVKDONJSA-N 0 0 347.396 2.730 10 5 EFBERN Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000594793182 478542426 /nfs/dbraw/zinc/54/24/26/478542426.db2.gz AFABLXMMCBMWJS-ZDUSSCGKSA-N 0 0 349.412 2.689 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@@H](C)c2ccccn2)c(C)cc1[N+](=O)[O-] ZINC000594796212 478542871 /nfs/dbraw/zinc/54/28/71/478542871.db2.gz QYWSNBKDSDMUBJ-CYBMUJFWSA-N 0 0 349.412 2.689 10 5 EFBERN CCC(C)(C)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000594812368 478548069 /nfs/dbraw/zinc/54/80/69/478548069.db2.gz CNCCBAUWAKHBNA-SNVBAGLBSA-N 0 0 330.406 2.706 10 5 EFBERN CCC(C)(C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000594812998 478548510 /nfs/dbraw/zinc/54/85/10/478548510.db2.gz KXCDTPFZEZEYPU-JTQLQIEISA-N 0 0 330.406 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C[C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)O1 ZINC000598215251 478708238 /nfs/dbraw/zinc/70/82/38/478708238.db2.gz WVIIPJOGZATALO-VXGBXAGGSA-N 0 0 329.356 2.830 10 5 EFBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CC2(F)F)cc1OC ZINC000598219113 478709738 /nfs/dbraw/zinc/70/97/38/478709738.db2.gz PCBYBMWHVWGWAB-AWEZNQCLSA-N 0 0 344.314 2.777 10 5 EFBERN COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000595279421 478711342 /nfs/dbraw/zinc/71/13/42/478711342.db2.gz KJMAWFVNFYXXKE-GUYCJALGSA-N 0 0 334.372 2.680 10 5 EFBERN CC[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](CC)CO1 ZINC000601184305 478711340 /nfs/dbraw/zinc/71/13/40/478711340.db2.gz JFLSZLBQRLJRLJ-IUCAKERBSA-N 0 0 336.314 2.741 10 5 EFBERN CCOc1cc(C(=O)NC[C@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000598219622 478711382 /nfs/dbraw/zinc/71/13/82/478711382.db2.gz SOMRIWDEEQHPAC-AWEZNQCLSA-N 0 0 344.314 2.777 10 5 EFBERN CC[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](CC)CO1 ZINC000601184306 478711768 /nfs/dbraw/zinc/71/17/68/478711768.db2.gz JFLSZLBQRLJRLJ-RKDXNWHRSA-N 0 0 336.314 2.741 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@]2(C)CC2(F)F)c1 ZINC000598219967 478711779 /nfs/dbraw/zinc/71/17/79/478711779.db2.gz WVVYRDLFHKKRBF-CQSZACIVSA-N 0 0 328.315 2.834 10 5 EFBERN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](CCF)C1 ZINC000598219733 478711970 /nfs/dbraw/zinc/71/19/70/478711970.db2.gz JIRVNMOJXUMLCC-CYBMUJFWSA-N 0 0 346.362 2.992 10 5 EFBERN Cc1sc(C(=O)N[C@@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000598221036 478712077 /nfs/dbraw/zinc/71/20/77/478712077.db2.gz NFWZWEQPSCHBHX-NSHDSACASA-N 0 0 336.344 2.837 10 5 EFBERN C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000591933447 478712503 /nfs/dbraw/zinc/71/25/03/478712503.db2.gz NGNYEATXKPYLQG-SNVBAGLBSA-N 0 0 331.319 2.564 10 5 EFBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](CCF)C1 ZINC000598222250 478713492 /nfs/dbraw/zinc/71/34/92/478713492.db2.gz XYACTKJVQLZINB-ZDUSSCGKSA-N 0 0 346.362 2.992 10 5 EFBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000598223527 478714231 /nfs/dbraw/zinc/71/42/31/478714231.db2.gz IFRIFGVDVLHXJJ-BZNIZROVSA-N 0 0 336.413 2.815 10 5 EFBERN CC[C@H](COCC1CC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601191156 478716360 /nfs/dbraw/zinc/71/63/60/478716360.db2.gz IRYMJKUDCYVGJH-SECBINFHSA-N 0 0 336.314 2.964 10 5 EFBERN C[C@]12COC[C@H]1CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C2 ZINC000598228931 478717135 /nfs/dbraw/zinc/71/71/35/478717135.db2.gz QSPNMTYRJKQKMF-OTYXRUKQSA-N 0 0 344.289 2.722 10 5 EFBERN Cc1csc(CC2(O)CCN(c3ccsc3[N+](=O)[O-])CC2)n1 ZINC000601194703 478717441 /nfs/dbraw/zinc/71/74/41/478717441.db2.gz PEFWVSIINBRYEC-UHFFFAOYSA-N 0 0 339.442 2.995 10 5 EFBERN COc1cccc([C@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)c1 ZINC000598232675 478717772 /nfs/dbraw/zinc/71/77/72/478717772.db2.gz QADYPVGXCRJIBD-GOSISDBHSA-N 0 0 343.383 2.746 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3n2C(C)C)n1 ZINC000598232276 478717803 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2.778 10 5 EFBERN O=[N+]([O-])c1cc2c(nc1N1CCCN(CC(F)F)CC1)CCCC2 ZINC000564322929 478722578 /nfs/dbraw/zinc/72/25/78/478722578.db2.gz DHJVAAMSQCXTED-UHFFFAOYSA-N 0 0 340.374 2.646 10 5 EFBERN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000598243953 478723820 /nfs/dbraw/zinc/72/38/20/478723820.db2.gz XRAIJUMLYDQUCV-WCQYABFASA-N 0 0 334.401 2.531 10 5 EFBERN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000591958528 478723924 /nfs/dbraw/zinc/72/39/24/478723924.db2.gz JETUCYPHRYYBID-UKRRQHHQSA-N 0 0 349.435 2.649 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601209250 478724174 /nfs/dbraw/zinc/72/41/74/478724174.db2.gz ZQOQHIUJZMWUAJ-LLVKDONJSA-N 0 0 328.731 2.656 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCSC3)C2)c2ncccc12 ZINC000591962291 478725337 /nfs/dbraw/zinc/72/53/37/478725337.db2.gz KNDIAGAJEGEUHE-MRXNPFEDSA-N 0 0 331.397 2.855 10 5 EFBERN CC(C)n1ncc2c1C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000601212706 478726262 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COC(=O)[C@@H](CC(C)(C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000591974262 478730435 /nfs/dbraw/zinc/73/04/35/478730435.db2.gz KFYISFOTSJJCMR-SECBINFHSA-N 0 0 338.389 2.989 10 5 EFBERN Cc1cccn2c(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cnc12 ZINC000598262990 478732291 /nfs/dbraw/zinc/73/22/91/478732291.db2.gz PUPDBDTVCHZXCP-UHFFFAOYSA-N 0 0 328.332 2.650 10 5 EFBERN COc1cc(COn2nnc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000564391752 478734045 /nfs/dbraw/zinc/73/40/45/478734045.db2.gz KQAXGJBUXFYEKV-UHFFFAOYSA-N 0 0 334.719 2.630 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000591986180 478734419 /nfs/dbraw/zinc/73/44/19/478734419.db2.gz BECCDRCKDWBHKD-DTORHVGOSA-N 0 0 348.446 2.818 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000601227292 478734432 /nfs/dbraw/zinc/73/44/32/478734432.db2.gz XWPFSWYEIIIQQF-QJPTWQEYSA-N 0 0 349.188 2.841 10 5 EFBERN COC(=O)C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000598269157 478734745 /nfs/dbraw/zinc/73/47/45/478734745.db2.gz COYSIWIHXVLRJQ-LLVKDONJSA-N 0 0 340.763 2.567 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000598268235 478735093 /nfs/dbraw/zinc/73/50/93/478735093.db2.gz XYEWMYCRPZWKEZ-LBPRGKRZSA-N 0 0 346.339 2.660 10 5 EFBERN CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000591986992 478735431 /nfs/dbraw/zinc/73/54/31/478735431.db2.gz GKSVAZYOZKIMQU-PHIMTYICSA-N 0 0 342.417 2.756 10 5 EFBERN CC(C)(CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@]1(O)CCOC1 ZINC000591988813 478735588 /nfs/dbraw/zinc/73/55/88/478735588.db2.gz XMNQYMBVUHIXRI-OAHLLOKOSA-N 0 0 346.330 2.786 10 5 EFBERN CN(c1ccnc2cc([N+](=O)[O-])ccc21)[C@H]1CCCCN(C)C1=O ZINC000601229390 478735855 /nfs/dbraw/zinc/73/58/55/478735855.db2.gz OCHTZUSQYDAPBB-INIZCTEOSA-N 0 0 328.372 2.590 10 5 EFBERN COC[C@]1(C(=O)OC(C)(C)C)CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000601228913 478736007 /nfs/dbraw/zinc/73/60/07/478736007.db2.gz ZRGVBXOVJJLVGQ-HNNXBMFYSA-N 0 0 342.417 2.841 10 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EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)n1 ZINC000598301086 478752353 /nfs/dbraw/zinc/75/23/53/478752353.db2.gz UHINRSUYJUWNQE-CMPLNLGQSA-N 0 0 334.763 2.751 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CCCn2nccc21 ZINC000601270285 478757196 /nfs/dbraw/zinc/75/71/96/478757196.db2.gz SUBLGODZOHODGO-ZDUSSCGKSA-N 0 0 339.355 2.717 10 5 EFBERN O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598311224 478760099 /nfs/dbraw/zinc/76/00/99/478760099.db2.gz OUTCDZICEALRSZ-RYUDHWBXSA-N 0 0 344.289 2.647 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CC(F)F ZINC000592067360 478761995 /nfs/dbraw/zinc/76/19/95/478761995.db2.gz GMWJAEQYFJGVPL-VIFPVBQESA-N 0 0 336.360 2.727 10 5 EFBERN COC(=O)c1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000564567609 478762180 /nfs/dbraw/zinc/76/21/80/478762180.db2.gz LRZDZZQWKNATGU-AAEUAGOBSA-N 0 0 333.388 2.727 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592067058 478762282 /nfs/dbraw/zinc/76/22/82/478762282.db2.gz KQDRIQGLVBAFSZ-QMMMGPOBSA-N 0 0 336.360 2.781 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c(C2CCC2)cnn1C ZINC000598316003 478762647 /nfs/dbraw/zinc/76/26/47/478762647.db2.gz IXBRSEKUORGYKK-UHFFFAOYSA-N 0 0 328.372 2.834 10 5 EFBERN Cc1ccccc1C1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592066581 478762747 /nfs/dbraw/zinc/76/27/47/478762747.db2.gz DGCYLVGMOPHSAE-UHFFFAOYSA-N 0 0 338.410 2.932 10 5 EFBERN Cc1cc(C(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000598319879 478764747 /nfs/dbraw/zinc/76/47/47/478764747.db2.gz DQKAYCCXXLFSAY-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000592084793 478767913 /nfs/dbraw/zinc/76/79/13/478767913.db2.gz LMNAPELAYBFXMT-TXEJJXNPSA-N 0 0 342.417 2.528 10 5 EFBERN CC1=CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000564635118 478772471 /nfs/dbraw/zinc/77/24/71/478772471.db2.gz WCPLLMVEYBAHTA-UHFFFAOYSA-N 0 0 328.372 2.980 10 5 EFBERN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2cnn3c2CCCC3)n1 ZINC000601300398 478773372 /nfs/dbraw/zinc/77/33/72/478773372.db2.gz WXZPTDFPMVXGCZ-OCCSQVGLSA-N 0 0 330.392 2.920 10 5 EFBERN O=C(NCC1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598338938 478773997 /nfs/dbraw/zinc/77/39/97/478773997.db2.gz OZGVDLSUSASVLW-UHFFFAOYSA-N 0 0 346.305 2.895 10 5 EFBERN Cc1cc(S(=O)(=O)N([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])s1 ZINC000601302604 478774585 /nfs/dbraw/zinc/77/45/85/478774585.db2.gz RSUAFUJFBXTBFF-SECBINFHSA-N 0 0 330.431 2.916 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCC(O)CC1 ZINC000598340590 478775204 /nfs/dbraw/zinc/77/52/04/478775204.db2.gz NHVCXQCSOYKIEO-DCBWTQNWSA-N 0 0 338.429 2.743 10 5 EFBERN CC1(C)[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1(F)F ZINC000598341191 478775560 /nfs/dbraw/zinc/77/55/60/478775560.db2.gz PCHGNKOFZHKNCQ-ZDUSSCGKSA-N 0 0 337.326 2.957 10 5 EFBERN CN(CCOCC1CC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601304156 478776582 /nfs/dbraw/zinc/77/65/82/478776582.db2.gz KYDXKWLIZVTPBM-UHFFFAOYSA-N 0 0 332.400 2.902 10 5 EFBERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2n[nH]cc2c1 ZINC000572212072 478776942 /nfs/dbraw/zinc/77/69/42/478776942.db2.gz RWRSLQKZHAGUDR-UHFFFAOYSA-N 0 0 349.350 2.925 10 5 EFBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC1CCC(F)CC1 ZINC000592106559 478778279 /nfs/dbraw/zinc/77/82/79/478778279.db2.gz WFPVAAOENYYYQP-UHFFFAOYSA-N 0 0 344.408 2.585 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCC(F)CC2)c(F)c1 ZINC000592106154 478778876 /nfs/dbraw/zinc/77/88/76/478778876.db2.gz QMERMDYXHGQHHT-UHFFFAOYSA-N 0 0 334.344 2.541 10 5 EFBERN O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2CCC(F)CC2)c1 ZINC000592106253 478779227 /nfs/dbraw/zinc/77/92/27/478779227.db2.gz TWKOMZQMXGSRSJ-UHFFFAOYSA-N 0 0 330.381 2.543 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598347233 478780343 /nfs/dbraw/zinc/78/03/43/478780343.db2.gz APMFVGWKDSUXNP-CYBMUJFWSA-N 0 0 333.388 2.567 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000598354627 478783901 /nfs/dbraw/zinc/78/39/01/478783901.db2.gz XYICMSDADQWQJN-SJORKVTESA-N 0 0 343.383 2.786 10 5 EFBERN C[C@@H]1COC2(CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000598355112 478784323 /nfs/dbraw/zinc/78/43/23/478784323.db2.gz VKDDAJSILQPGHO-CQSZACIVSA-N 0 0 347.415 2.591 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000598354625 478784743 /nfs/dbraw/zinc/78/47/43/478784743.db2.gz XYICMSDADQWQJN-IAGOWNOFSA-N 0 0 343.383 2.786 10 5 EFBERN C[C@H]1CC[C@]2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)C1 ZINC000543797548 478787337 /nfs/dbraw/zinc/78/73/37/478787337.db2.gz ZHFAOSDQFMANRK-GTNSWQLSSA-N 0 0 332.356 2.976 10 5 EFBERN Cc1cc(S(=O)(=O)N(C)[C@H](C)c2ccncc2)c([N+](=O)[O-])s1 ZINC000601321852 478787401 /nfs/dbraw/zinc/78/74/01/478787401.db2.gz UYVLVVWFTHOYIU-SNVBAGLBSA-N 0 0 341.414 2.741 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c(F)c1 ZINC000592130265 478788416 /nfs/dbraw/zinc/78/84/16/478788416.db2.gz DQCUODUNRYQJDK-GWCFXTLKSA-N 0 0 336.285 2.869 10 5 EFBERN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000598364999 478788732 /nfs/dbraw/zinc/78/87/32/478788732.db2.gz BSAXDDUDZAHBHA-VOMCLLRMSA-N 0 0 326.372 2.559 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000592129194 478788836 /nfs/dbraw/zinc/78/88/36/478788836.db2.gz IUDBJGHKORSVOY-FZMZJTMJSA-N 0 0 348.321 2.739 10 5 EFBERN C[C@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595445668 478789148 /nfs/dbraw/zinc/78/91/48/478789148.db2.gz FZIQFXDQWROILD-ZUZCIYMTSA-N 0 0 343.330 2.549 10 5 EFBERN CCCN(CC(F)F)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601326682 478789202 /nfs/dbraw/zinc/78/92/02/478789202.db2.gz GPCGCHQOBKRGGT-UHFFFAOYSA-N 0 0 328.362 2.631 10 5 EFBERN Cc1nn(CCC(=O)N[C@@H](C)C2CCC(F)CC2)c(C)c1[N+](=O)[O-] ZINC000598367633 478789433 /nfs/dbraw/zinc/78/94/33/478789433.db2.gz VMVCCNNNVWQVCD-FNBIGBAISA-N 0 0 340.399 2.831 10 5 EFBERN Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)no1 ZINC000592131364 478789605 /nfs/dbraw/zinc/78/96/05/478789605.db2.gz ZMJPMABRWXFFFN-SHTZXODSSA-N 0 0 346.387 2.592 10 5 EFBERN CCCc1n[nH]c(C(=O)N[C@@H](C)C2CCC(F)CC2)c1[N+](=O)[O-] ZINC000598366637 478789991 /nfs/dbraw/zinc/78/99/91/478789991.db2.gz MPTTXPRIQSVPIX-WHXUTIOJSA-N 0 0 326.372 2.917 10 5 EFBERN CCN(c1cccnc1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601334814 478791987 /nfs/dbraw/zinc/79/19/87/478791987.db2.gz CLDIXNXVGKTNPU-UHFFFAOYSA-N 0 0 327.387 2.575 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000598378031 478795320 /nfs/dbraw/zinc/79/53/20/478795320.db2.gz DZRSHZZESGKODI-HNNXBMFYSA-N 0 0 340.383 2.649 10 5 EFBERN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1CC1 ZINC000598379753 478796323 /nfs/dbraw/zinc/79/63/23/478796323.db2.gz BNXQPQNNROAGAX-OAHLLOKOSA-N 0 0 338.429 2.844 10 5 EFBERN CC(C)[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000598380298 478796602 /nfs/dbraw/zinc/79/66/02/478796602.db2.gz HMZWUIGYRYKRMR-INIZCTEOSA-N 0 0 328.372 2.945 10 5 EFBERN COC(=O)C[C@@H]1CCCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601353181 478797556 /nfs/dbraw/zinc/79/75/56/478797556.db2.gz YGVMEOOIVBQKAB-HNNXBMFYSA-N 0 0 346.383 2.571 10 5 EFBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000598388661 478799049 /nfs/dbraw/zinc/79/90/49/478799049.db2.gz CTOTZWNORORCGY-AVGNSLFASA-N 0 0 336.413 2.570 10 5 EFBERN O=[N+]([O-])c1cccc(-c2noc(Cc3cnn4c3CCCC4)n2)c1 ZINC000601354411 478799445 /nfs/dbraw/zinc/79/94/45/478799445.db2.gz NMQANNSUQPFZBV-UHFFFAOYSA-N 0 0 325.328 2.768 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000598389443 478799391 /nfs/dbraw/zinc/79/93/91/478799391.db2.gz JGJWPEBBPPDVSQ-PWSUYJOCSA-N 0 0 332.381 2.918 10 5 EFBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2COC[C@@H]2C1 ZINC000598389442 478799614 /nfs/dbraw/zinc/79/96/14/478799614.db2.gz JGJWPEBBPPDVSQ-JQWIXIFHSA-N 0 0 332.381 2.918 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])s1 ZINC000601358660 478800435 /nfs/dbraw/zinc/80/04/35/478800435.db2.gz VVELWCAMBJVULS-GHMZBOCLSA-N 0 0 330.431 2.918 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601358661 478800639 /nfs/dbraw/zinc/80/06/39/478800639.db2.gz VVELWCAMBJVULS-MNOVXSKESA-N 0 0 330.431 2.918 10 5 EFBERN CO[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000598394984 478802799 /nfs/dbraw/zinc/80/27/99/478802799.db2.gz PSCDKYWWIDIPNE-OAHLLOKOSA-N 0 0 342.342 2.737 10 5 EFBERN CC[C@H](COCC1CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595470108 478803222 /nfs/dbraw/zinc/80/32/22/478803222.db2.gz RMHNJVWUHTUWJZ-OAHLLOKOSA-N 0 0 335.404 2.642 10 5 EFBERN CC[C@@H](COCC1CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595469641 478803345 /nfs/dbraw/zinc/80/33/45/478803345.db2.gz RMHNJVWUHTUWJZ-HNNXBMFYSA-N 0 0 335.404 2.642 10 5 EFBERN COc1cccc(C(=O)N2CCC(c3ccon3)CC2)c1[N+](=O)[O-] ZINC000598399190 478804594 /nfs/dbraw/zinc/80/45/94/478804594.db2.gz OAAZGXCUNODASF-UHFFFAOYSA-N 0 0 331.328 2.611 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000598398791 478804835 /nfs/dbraw/zinc/80/48/35/478804835.db2.gz ZHXXXBNIDIBJHL-OAGGEKHMSA-N 0 0 332.400 2.658 10 5 EFBERN Cn1cncc1Cc1noc(C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601369590 478806003 /nfs/dbraw/zinc/80/60/03/478806003.db2.gz HEMWKTFQMCTLJD-UHFFFAOYSA-N 0 0 339.355 2.772 10 5 EFBERN CN(C[C@H]1CCC[C@H]1O)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601372213 478806852 /nfs/dbraw/zinc/80/68/52/478806852.db2.gz SKXAIFHNOFNPTM-CZUORRHYSA-N 0 0 332.400 2.636 10 5 EFBERN COc1ccc(C(=O)N2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000598401496 478807161 /nfs/dbraw/zinc/80/71/61/478807161.db2.gz UVIGXYKDAYRPGO-UHFFFAOYSA-N 0 0 331.328 2.611 10 5 EFBERN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000583268652 478807566 /nfs/dbraw/zinc/80/75/66/478807566.db2.gz UPJLADJWZKGBRL-ZWNOBZJWSA-N 0 0 326.418 2.844 10 5 EFBERN O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601377598 478810477 /nfs/dbraw/zinc/81/04/77/478810477.db2.gz GNMXNBKCDNPCLD-JTQLQIEISA-N 0 0 346.355 2.723 10 5 EFBERN Cc1ccncc1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595484182 478811955 /nfs/dbraw/zinc/81/19/55/478811955.db2.gz XXAAIRINWNLIBU-ZDUSSCGKSA-N 0 0 328.372 2.901 10 5 EFBERN O=C(NCC1(O)CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000598423035 478815206 /nfs/dbraw/zinc/81/52/06/478815206.db2.gz JHFBLXLAYRJUKX-UHFFFAOYSA-N 0 0 348.733 2.918 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000598426794 478818138 /nfs/dbraw/zinc/81/81/38/478818138.db2.gz NKTCPTVAWQGMIT-FMKPAKJESA-N 0 0 348.399 2.574 10 5 EFBERN CC[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000601393595 478818069 /nfs/dbraw/zinc/81/80/69/478818069.db2.gz JICBLLATXJDKQQ-SNVBAGLBSA-N 0 0 345.321 2.535 10 5 EFBERN CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3Cc4ccc(F)cc43)no2)n1 ZINC000601393344 478818434 /nfs/dbraw/zinc/81/84/34/478818434.db2.gz GPWSHVMSFCVMQL-LLVKDONJSA-N 0 0 329.291 2.688 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]1C(F)(F)F ZINC000595494059 478818709 /nfs/dbraw/zinc/81/87/09/478818709.db2.gz JIBUVNKACRUWPJ-GFCCVEGCSA-N 0 0 347.293 2.569 10 5 EFBERN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601400334 478820528 /nfs/dbraw/zinc/82/05/28/478820528.db2.gz YLPGDCCGLWCKOY-UONOGXRCSA-N 0 0 331.416 2.568 10 5 EFBERN CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601406445 478822962 /nfs/dbraw/zinc/82/29/62/478822962.db2.gz AAOISHHZDCGDEK-ZETCQYMHSA-N 0 0 346.352 2.926 10 5 EFBERN CC1(C)[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000595500347 478822565 /nfs/dbraw/zinc/82/25/65/478822565.db2.gz IMSOHZQXGITFJK-GFCCVEGCSA-N 0 0 343.330 2.564 10 5 EFBERN C[C@@H]1C[C@@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601414243 478825664 /nfs/dbraw/zinc/82/56/64/478825664.db2.gz UPVLRTXRXJNMFR-GBIKHYSHSA-N 0 0 326.780 2.720 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC(C)(C)[C@@H]2C2CC2)c([N+](=O)[O-])s1 ZINC000601416629 478825801 /nfs/dbraw/zinc/82/58/01/478825801.db2.gz UCJAXQSNDUUEHP-NSHDSACASA-N 0 0 330.431 2.774 10 5 EFBERN CC(C)C1(S(=O)(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000601420358 478827010 /nfs/dbraw/zinc/82/70/10/478827010.db2.gz WBKWRBFWFVOMLI-UHFFFAOYSA-N 0 0 326.418 2.938 10 5 EFBERN O=C(NC1CCC(CO)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601421424 478828334 /nfs/dbraw/zinc/82/83/34/478828334.db2.gz GPPRUEMNUYUJCV-UHFFFAOYSA-N 0 0 332.400 2.684 10 5 EFBERN C[C@@]12COC[C@H]1CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595517975 478831321 /nfs/dbraw/zinc/83/13/21/478831321.db2.gz HHHHARBCKSDLAK-CRAIPNDOSA-N 0 0 347.415 2.595 10 5 EFBERN CC(C)(C(=O)NC[C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000598454811 478832972 /nfs/dbraw/zinc/83/29/72/478832972.db2.gz PGCNHLYBBQCKLI-LLVKDONJSA-N 0 0 338.379 2.943 10 5 EFBERN CC[C@H]1CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000601444305 478835472 /nfs/dbraw/zinc/83/54/72/478835472.db2.gz BXMFGPLNARHGFR-QWRGUYRKSA-N 0 0 348.446 2.543 10 5 EFBERN CC1(CO)CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601445028 478835668 /nfs/dbraw/zinc/83/56/68/478835668.db2.gz OFOOKLYLJBZPJD-UHFFFAOYSA-N 0 0 332.400 2.638 10 5 EFBERN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc1C ZINC000598467334 478837471 /nfs/dbraw/zinc/83/74/71/478837471.db2.gz XJDKYPWBYGNRRJ-UHFFFAOYSA-N 0 0 331.328 2.958 10 5 EFBERN CC(C)(C)C(F)(F)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598466737 478837938 /nfs/dbraw/zinc/83/79/38/478837938.db2.gz YWXAZLWSMXSKKV-UHFFFAOYSA-N 0 0 344.314 2.777 10 5 EFBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1nccn1C ZINC000598465400 478837978 /nfs/dbraw/zinc/83/79/78/478837978.db2.gz RFDWRUFMUQXFBB-MRVPVSSYSA-N 0 0 342.277 2.838 10 5 EFBERN CCOc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nc1C ZINC000598467123 478838023 /nfs/dbraw/zinc/83/80/23/478838023.db2.gz QECOTMGSSYEWEX-UHFFFAOYSA-N 0 0 345.311 2.678 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@H](C)CC(F)F)c(F)cc1[N+](=O)[O-] ZINC000601452513 478840041 /nfs/dbraw/zinc/84/00/41/478840041.db2.gz UUGNHFAJSLJGDR-SSDOTTSWSA-N 0 0 340.323 2.612 10 5 EFBERN Cc1cc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601451566 478840254 /nfs/dbraw/zinc/84/02/54/478840254.db2.gz FTZRGGBHJJPNRO-QWRGUYRKSA-N 0 0 330.431 2.918 10 5 EFBERN Cc1cc(S(=O)(=O)NC[C@@H](C)CC(F)F)c([N+](=O)[O-])s1 ZINC000601452566 478840287 /nfs/dbraw/zinc/84/02/87/478840287.db2.gz VKWRDTMDXISCFZ-LURJTMIESA-N 0 0 328.362 2.534 10 5 EFBERN CC[C@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000601460596 478844125 /nfs/dbraw/zinc/84/41/25/478844125.db2.gz JQCCXLMCWATAGB-QWRGUYRKSA-N 0 0 348.446 2.591 10 5 EFBERN Cc1cc(S(=O)(=O)N2CCC[C@H](CCF)C2)c(F)cc1[N+](=O)[O-] ZINC000601464697 478845467 /nfs/dbraw/zinc/84/54/67/478845467.db2.gz NTASAOSXQIFFKY-LLVKDONJSA-N 0 0 348.371 2.803 10 5 EFBERN Cc1ccc([C@@H](C)NC(=O)NCCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595550597 478848686 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EFBERN Cc1cccc(NC(=O)Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1 ZINC000592360645 478868347 /nfs/dbraw/zinc/86/83/47/478868347.db2.gz JHMRFHGAHWZYGP-UHFFFAOYSA-N 0 0 341.367 2.582 10 5 EFBERN COC(=O)c1cc(OC)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000505438933 478868530 /nfs/dbraw/zinc/86/85/30/478868530.db2.gz SSQREKKJVUKMCW-UHFFFAOYSA-N 0 0 344.323 2.951 10 5 EFBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@H](CC(F)(F)F)C1 ZINC000598508536 478869564 /nfs/dbraw/zinc/86/95/64/478869564.db2.gz CMGUWGCUZYUZHF-SECBINFHSA-N 0 0 336.241 2.527 10 5 EFBERN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000598510454 478870877 /nfs/dbraw/zinc/87/08/77/478870877.db2.gz WKLKIUKRXHZAOV-ZWNOBZJWSA-N 0 0 346.305 2.706 10 5 EFBERN COc1cnccc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601542375 478871683 /nfs/dbraw/zinc/87/16/83/478871683.db2.gz MPFHTJWGTZPPGJ-UHFFFAOYSA-N 0 0 341.367 2.737 10 5 EFBERN Cc1c(CNC(=O)N2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595588412 478871925 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10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601557445 478877235 /nfs/dbraw/zinc/87/72/35/478877235.db2.gz AVRHYGJHEXEGAB-SJORKVTESA-N 0 0 347.415 2.784 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601556156 478877420 /nfs/dbraw/zinc/87/74/20/478877420.db2.gz RBAICBXMUIIKTF-HOTGVXAUSA-N 0 0 333.388 2.742 10 5 EFBERN CN(C)C(=O)CC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000572597963 478877608 /nfs/dbraw/zinc/87/76/08/478877608.db2.gz UUKCQKDPSKXPRY-UHFFFAOYSA-N 0 0 346.431 2.563 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1[nH]ncc1C(F)(F)F ZINC000601559481 478878797 /nfs/dbraw/zinc/87/87/97/478878797.db2.gz KPJYSUXUKZITKB-UHFFFAOYSA-N 0 0 342.277 2.651 10 5 EFBERN COc1ccc(CNC(=O)N2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000601560604 478880028 /nfs/dbraw/zinc/88/00/28/478880028.db2.gz IMGOOHWYUPXPAI-UHFFFAOYSA-N 0 0 339.367 2.885 10 5 EFBERN COc1ccc(CN[C@H](C)c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000592387258 478880216 /nfs/dbraw/zinc/88/02/16/478880216.db2.gz CGMUAPUCKKTIDR-GFCCVEGCSA-N 0 0 330.388 2.987 10 5 EFBERN COc1ccc(OCc2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000545039728 478880303 /nfs/dbraw/zinc/88/03/03/478880303.db2.gz JALXIWXHUZQOTD-UHFFFAOYSA-N 0 0 328.284 2.627 10 5 EFBERN COc1ccc(CN[C@@H](C)c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000592387259 478880662 /nfs/dbraw/zinc/88/06/62/478880662.db2.gz CGMUAPUCKKTIDR-LBPRGKRZSA-N 0 0 330.388 2.987 10 5 EFBERN COCCn1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000601564188 478882634 /nfs/dbraw/zinc/88/26/34/478882634.db2.gz INUKWJNTEOIUBN-UHFFFAOYSA-N 0 0 346.387 2.988 10 5 EFBERN Cc1cc(OCC(=O)N[C@H](c2ccccc2)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000598538297 478884813 /nfs/dbraw/zinc/88/48/13/478884813.db2.gz ACURNJCYRVKBQY-ACJLOTCBSA-N 0 0 344.367 2.520 10 5 EFBERN C[C@@H](O)[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000598538707 478885933 /nfs/dbraw/zinc/88/59/33/478885933.db2.gz FVQKEIFQMSPBMA-FZKQIMNGSA-N 0 0 344.367 2.602 10 5 EFBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC(F)F)nc3)no2)nc1 ZINC000545135593 478886092 /nfs/dbraw/zinc/88/60/92/478886092.db2.gz UFOXLGPLIKSHSQ-UHFFFAOYSA-N 0 0 349.253 2.746 10 5 EFBERN C[C@H]1CCn2cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])nc2C1 ZINC000601570180 478886127 /nfs/dbraw/zinc/88/61/27/478886127.db2.gz FQQAADBJGZBPKW-ZDUSSCGKSA-N 0 0 342.399 2.688 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(CCF)CC1 ZINC000601571074 478886275 /nfs/dbraw/zinc/88/62/75/478886275.db2.gz KWOYWJTUANATSJ-UHFFFAOYSA-N 0 0 339.367 2.755 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000598539955 478886821 /nfs/dbraw/zinc/88/68/21/478886821.db2.gz NIMOJVIIQINDGH-ACJLOTCBSA-N 0 0 328.368 2.766 10 5 EFBERN CO[C@H](C)c1nc(Cc2noc(-c3ccc([N+](=O)[O-])cn3)n2)cs1 ZINC000545118634 478887492 /nfs/dbraw/zinc/88/74/92/478887492.db2.gz OIPYBNZHCIBMAX-MRVPVSSYSA-N 0 0 347.356 2.795 10 5 EFBERN Cc1cc(C(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000598543189 478887772 /nfs/dbraw/zinc/88/77/72/478887772.db2.gz SJNSGLRJTLXQTH-HDICACEKSA-N 0 0 330.384 2.936 10 5 EFBERN COc1nn(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000505881484 478889624 /nfs/dbraw/zinc/88/96/24/478889624.db2.gz MQUNCHFOUXCNOD-UHFFFAOYSA-N 0 0 344.249 2.608 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000598551737 478890677 /nfs/dbraw/zinc/89/06/77/478890677.db2.gz VOTQILVBNFWTMG-KRWDZBQOSA-N 0 0 328.372 2.866 10 5 EFBERN COCC1(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CCCCC1 ZINC000598551358 478890785 /nfs/dbraw/zinc/89/07/85/478890785.db2.gz RGHXCMCCJUCPSU-UHFFFAOYSA-N 0 0 336.388 2.748 10 5 EFBERN C[C@@]1(C2CC2)CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000595618984 478891448 /nfs/dbraw/zinc/89/14/48/478891448.db2.gz XLKAFQOSEPYAAQ-KRWDZBQOSA-N 0 0 344.371 2.646 10 5 EFBERN COCC1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000598555705 478892366 /nfs/dbraw/zinc/89/23/66/478892366.db2.gz PXOTWUVUTNHKHE-UHFFFAOYSA-N 0 0 332.360 2.550 10 5 EFBERN Cn1[nH]c(=NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc1C1CC1 ZINC000601588207 478894224 /nfs/dbraw/zinc/89/42/24/478894224.db2.gz UZAPJDVTOGXLPE-UHFFFAOYSA-N 0 0 340.383 2.688 10 5 EFBERN Cc1cccc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000598561683 478894810 /nfs/dbraw/zinc/89/48/10/478894810.db2.gz AJQWILJFNKSJEZ-MEBBXXQBSA-N 0 0 328.315 2.788 10 5 EFBERN Cc1sc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000598561797 478894918 /nfs/dbraw/zinc/89/49/18/478894918.db2.gz BAAUXWZNHPHYGG-FUXBKTLASA-N 0 0 334.344 2.849 10 5 EFBERN C[C@@H]1C[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)O1 ZINC000601589792 478895441 /nfs/dbraw/zinc/89/54/41/478895441.db2.gz ADQVJPHTYBKLBI-JTNHKYCSSA-N 0 0 331.372 2.548 10 5 EFBERN C[C@@H]1C[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)O1 ZINC000601589799 478895691 /nfs/dbraw/zinc/89/56/91/478895691.db2.gz ADQVJPHTYBKLBI-UHIISALHSA-N 0 0 331.372 2.548 10 5 EFBERN CO[C@@](C)(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC000601591444 478895784 /nfs/dbraw/zinc/89/57/84/478895784.db2.gz KVYDDYWTXLSYKM-KRWDZBQOSA-N 0 0 332.400 2.948 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000601590584 478895812 /nfs/dbraw/zinc/89/58/12/478895812.db2.gz GVXFXFFYEXFFES-NRUUGDAUSA-N 0 0 341.795 2.656 10 5 EFBERN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598565612 478897823 /nfs/dbraw/zinc/89/78/23/478897823.db2.gz RPNOZTJCHKYZLC-BDJLRTHQSA-N 0 0 342.342 2.799 10 5 EFBERN CNc1c(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000598565869 478898133 /nfs/dbraw/zinc/89/81/33/478898133.db2.gz SKGSOBVJGBPCGE-VFZGTOFNSA-N 0 0 343.330 2.521 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000598565940 478899596 /nfs/dbraw/zinc/89/95/96/478899596.db2.gz UFQYWPCIYSTLLN-MEBBXXQBSA-N 0 0 328.315 2.788 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000598566072 478899964 /nfs/dbraw/zinc/89/99/64/478899964.db2.gz UFQYWPCIYSTLLN-ZUZCIYMTSA-N 0 0 328.315 2.788 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000598569594 478900631 /nfs/dbraw/zinc/90/06/31/478900631.db2.gz AMIHRZLYXVBORE-HNNXBMFYSA-N 0 0 339.298 2.572 10 5 EFBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545217085 478900870 /nfs/dbraw/zinc/90/08/70/478900870.db2.gz MFNQBCSLBPKPGQ-SNVBAGLBSA-N 0 0 333.392 2.684 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2ccccc2[C@@H]1C ZINC000598567829 478901346 /nfs/dbraw/zinc/90/13/46/478901346.db2.gz GRTCSPKDZVNDAE-LBPRGKRZSA-N 0 0 327.340 2.894 10 5 EFBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2CC1(C)C2 ZINC000598570292 478902270 /nfs/dbraw/zinc/90/22/70/478902270.db2.gz HQOUBVQZPKMDMI-UHFFFAOYSA-N 0 0 336.413 2.958 10 5 EFBERN CCCN1C[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1=O ZINC000572717006 478903991 /nfs/dbraw/zinc/90/39/91/478903991.db2.gz IQGOBGAESQDEJK-GFCCVEGCSA-N 0 0 332.404 2.539 10 5 EFBERN C[C@@H](C(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598574331 478904637 /nfs/dbraw/zinc/90/46/37/478904637.db2.gz SQBOEFDWNYBEGX-PSLIRLAXSA-N 0 0 346.305 2.720 10 5 EFBERN C[C@H](C(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598574330 478904725 /nfs/dbraw/zinc/90/47/25/478904725.db2.gz SQBOEFDWNYBEGX-BJOHPYRUSA-N 0 0 346.305 2.720 10 5 EFBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc2c(c1)CCCO2 ZINC000598576303 478905644 /nfs/dbraw/zinc/90/56/44/478905644.db2.gz KSLSMDVZNPKSOG-LLVKDONJSA-N 0 0 341.367 2.993 10 5 EFBERN CCC(CC)(CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000598582139 478911157 /nfs/dbraw/zinc/91/11/57/478911157.db2.gz KNBDDSIWVLSTOV-UHFFFAOYSA-N 0 0 348.378 2.955 10 5 EFBERN CON1CCC(N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601628924 478916915 /nfs/dbraw/zinc/91/69/15/478916915.db2.gz GULHUASSERGGHP-UHFFFAOYSA-N 0 0 347.415 2.501 10 5 EFBERN CCn1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601631199 478918786 /nfs/dbraw/zinc/91/87/86/478918786.db2.gz HETDPLJCKADGFC-UHFFFAOYSA-N 0 0 328.372 2.549 10 5 EFBERN CC[C@H](NC(=O)c1ccc2nnc(C)n2c1)c1cccc([N+](=O)[O-])c1 ZINC000507370501 478919157 /nfs/dbraw/zinc/91/91/57/478919157.db2.gz WUPOOIQGUKIURT-HNNXBMFYSA-N 0 0 339.355 2.827 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598599352 478919701 /nfs/dbraw/zinc/91/97/01/478919701.db2.gz MDBQUCRLTGEIFJ-GXTWGEPZSA-N 0 0 327.340 2.820 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598599353 478919888 /nfs/dbraw/zinc/91/98/88/478919888.db2.gz MDBQUCRLTGEIFJ-JSGCOSHPSA-N 0 0 327.340 2.820 10 5 EFBERN COC(=O)c1ccnc(NC[C@@H](C)Oc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000598599660 478919963 /nfs/dbraw/zinc/91/99/63/478919963.db2.gz KXUIJMVISNQNQP-SNVBAGLBSA-N 0 0 349.318 2.795 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598599355 478920405 /nfs/dbraw/zinc/92/04/05/478920405.db2.gz MDBQUCRLTGEIFJ-TZMCWYRMSA-N 0 0 327.340 2.820 10 5 EFBERN O=C(N[C@H]1CCC[C@@H](CO)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601637179 478920385 /nfs/dbraw/zinc/92/03/85/478920385.db2.gz LTFQYXQCHKOROA-HIFRSBDPSA-N 0 0 332.400 2.684 10 5 EFBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2cscn2)cc1C ZINC000583704553 478921097 /nfs/dbraw/zinc/92/10/97/478921097.db2.gz JZYBGVHDARYILV-SNVBAGLBSA-N 0 0 341.414 2.708 10 5 EFBERN Cc1ccc(S(=O)(=O)N(CC(F)F)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598601708 478922160 /nfs/dbraw/zinc/92/21/60/478922160.db2.gz NIPBQRWRVUVGQT-UHFFFAOYSA-N 0 0 334.344 2.630 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](F)C2)c(C)c1[N+](=O)[O-] ZINC000598609478 478924686 /nfs/dbraw/zinc/92/46/86/478924686.db2.gz YGULKAGSRZMPKN-SKDRFNHKSA-N 0 0 330.381 2.580 10 5 EFBERN CCC1(CC)[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1OC ZINC000598609766 478924701 /nfs/dbraw/zinc/92/47/01/478924701.db2.gz VEAFSJPACRZVFF-NEPJUHHUSA-N 0 0 337.376 2.782 10 5 EFBERN COC(=O)c1ccnc(N[C@H]2C[C@@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000598613427 478926177 /nfs/dbraw/zinc/92/61/77/478926177.db2.gz GTMMLSPPHPKULD-NWDGAFQWSA-N 0 0 337.376 2.780 10 5 EFBERN Cc1ccc(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598614334 478927140 /nfs/dbraw/zinc/92/71/40/478927140.db2.gz KRJNBWANQLFWJM-ZDUSSCGKSA-N 0 0 346.355 2.631 10 5 EFBERN COC(=O)c1ccnc(NC[C@]2(O)CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000598618328 478927782 /nfs/dbraw/zinc/92/77/82/478927782.db2.gz OYMGQUBILPAENC-INIZCTEOSA-N 0 0 337.376 2.520 10 5 EFBERN Cc1ccc(S(=O)(=O)NCC[C@]2(C)CC2(F)F)c(C)c1[N+](=O)[O-] ZINC000598616984 478928042 /nfs/dbraw/zinc/92/80/42/478928042.db2.gz GVZWZNKPUIVNHA-CYBMUJFWSA-N 0 0 348.371 2.925 10 5 EFBERN Cc1cc(C)c(S(=O)(=O)NCC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598622537 478931222 /nfs/dbraw/zinc/93/12/22/478931222.db2.gz PACMYJSXILJQNB-JTQLQIEISA-N 0 0 334.344 2.535 10 5 EFBERN COC(=O)c1ccnc(N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000598625644 478932087 /nfs/dbraw/zinc/93/20/87/478932087.db2.gz RMIQWKBCHOCMST-VXNVDRBHSA-N 0 0 333.266 2.554 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CC2(F)F)c1C ZINC000598623335 478932338 /nfs/dbraw/zinc/93/23/38/478932338.db2.gz WOISRQYIMOQRFW-SNVBAGLBSA-N 0 0 334.344 2.535 10 5 EFBERN COC(=O)c1ccnc(N2C[C@@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000598630417 478932643 /nfs/dbraw/zinc/93/26/43/478932643.db2.gz KQSMULVHGFPWOC-GFCCVEGCSA-N 0 0 349.387 2.704 10 5 EFBERN C[C@@H](CC1CCC1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000601658962 478932875 /nfs/dbraw/zinc/93/28/75/478932875.db2.gz PVBJWGCWIYPXFA-LBPRGKRZSA-N 0 0 335.408 2.717 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2ccccc2[C@@H]1C ZINC000598628685 478933312 /nfs/dbraw/zinc/93/33/12/478933312.db2.gz YLSVRJYYMGXYNU-NSHDSACASA-N 0 0 348.380 2.869 10 5 EFBERN Cc1cc(N[C@@H]2CS(=O)(=O)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000598635451 478935737 /nfs/dbraw/zinc/93/57/37/478935737.db2.gz DGRWCDIITNZMGJ-OAHLLOKOSA-N 0 0 332.381 2.985 10 5 EFBERN COC(=O)c1ccnc(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1[N+](=O)[O-] ZINC000598636245 478937769 /nfs/dbraw/zinc/93/77/69/478937769.db2.gz VESFKSTUULVFPI-HZSPNIEDSA-N 0 0 343.314 2.666 10 5 EFBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@H]1CC1(F)F ZINC000598638771 478938984 /nfs/dbraw/zinc/93/89/84/478938984.db2.gz PEIPMUCXJBLZEW-ZDUSSCGKSA-N 0 0 341.358 2.884 10 5 EFBERN CC[C@H](COCC1CC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595689590 478939181 /nfs/dbraw/zinc/93/91/81/478939181.db2.gz MWCYHNBCAPFKMR-MRXNPFEDSA-N 0 0 349.431 2.984 10 5 EFBERN COC(=O)c1ccnc(NC[C@H]2CC23CCSCC3)c1[N+](=O)[O-] ZINC000598641360 478940199 /nfs/dbraw/zinc/94/01/99/478940199.db2.gz SJWNKJCBGVVWEF-SNVBAGLBSA-N 0 0 337.401 2.722 10 5 EFBERN Cc1ccc2nnc(CNc3nc4c(cc3[N+](=O)[O-])CCCC4)n2c1 ZINC000598641349 478940467 /nfs/dbraw/zinc/94/04/67/478940467.db2.gz SAMDMKKGMFVVHN-UHFFFAOYSA-N 0 0 338.371 2.832 10 5 EFBERN CN(CC1=CCCOC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601669972 478941798 /nfs/dbraw/zinc/94/17/98/478941798.db2.gz HSYSCQHDBWRYPB-UHFFFAOYSA-N 0 0 330.384 2.822 10 5 EFBERN O=C(NCC(O)(C1CC1)C1CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601673445 478943358 /nfs/dbraw/zinc/94/33/58/478943358.db2.gz RIFPPVKLQYGXDS-UHFFFAOYSA-N 0 0 344.411 2.684 10 5 EFBERN O=C(N1CCC[C@@](O)(C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601671642 478943483 /nfs/dbraw/zinc/94/34/83/478943483.db2.gz NHXGIYACPJDGCG-IBGZPJMESA-N 0 0 344.411 2.780 10 5 EFBERN COc1cc(Cn2cnc3c(c2=O)CC(C)(C)CC3)ccc1[N+](=O)[O-] ZINC000572879347 478943459 /nfs/dbraw/zinc/94/34/59/478943459.db2.gz BJFJSBYRAPKJJZ-UHFFFAOYSA-N 0 0 343.383 2.723 10 5 EFBERN NS(=O)(=O)c1cccc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000598650442 478946444 /nfs/dbraw/zinc/94/64/44/478946444.db2.gz YFFIRMWNCSKINY-MXWKQRLJSA-N 0 0 342.442 2.771 10 5 EFBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CC1(F)F ZINC000598656152 478948974 /nfs/dbraw/zinc/94/89/74/478948974.db2.gz FGUHTGKQDSTYHC-LBPRGKRZSA-N 0 0 327.331 2.824 10 5 EFBERN CC[C@H](NC(=O)N1CC[C@H](C)[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000598659141 478950856 /nfs/dbraw/zinc/95/08/56/478950856.db2.gz ZMRYYEYSVNMTFU-NOLJZWGESA-N 0 0 335.404 2.706 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601686808 478953103 /nfs/dbraw/zinc/95/31/03/478953103.db2.gz ZWOPBTIHRLQFOR-JFILPPLUSA-N 0 0 332.400 2.945 10 5 EFBERN Cc1nn(C)c(C(=O)NCc2ccsc2C(F)(F)F)c1[N+](=O)[O-] ZINC000601688828 478953525 /nfs/dbraw/zinc/95/35/25/478953525.db2.gz WZMQQDYXNWZWOW-UHFFFAOYSA-N 0 0 348.306 2.647 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)COCc1ccc(C)cc1 ZINC000598670142 478955335 /nfs/dbraw/zinc/95/53/35/478955335.db2.gz QPUXKHBWDBUYSL-UHFFFAOYSA-N 0 0 344.367 2.745 10 5 EFBERN COc1ccc(CNC(=O)COCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000598669645 478955424 /nfs/dbraw/zinc/95/54/24/478955424.db2.gz KVJVWOJLEIETIS-UHFFFAOYSA-N 0 0 344.367 2.745 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000565225219 478955934 /nfs/dbraw/zinc/95/59/34/478955934.db2.gz CLKNPPXNBGOPKB-CYBMUJFWSA-N 0 0 336.388 2.625 10 5 EFBERN CC[C@@H](NC(=O)[C@H]1CCc2ncncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000592601999 478958314 /nfs/dbraw/zinc/95/83/14/478958314.db2.gz IXJWCDBBSJYYGP-XJKSGUPXSA-N 0 0 340.383 2.757 10 5 EFBERN COc1cccc([N+](=O)[O-])c1NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000565230674 478959439 /nfs/dbraw/zinc/95/94/39/478959439.db2.gz UOYKEDKRUOGOQG-WBMJQRKESA-N 0 0 336.388 2.583 10 5 EFBERN CC[C@H](NC(=O)c1cn(C2CCC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592603990 478959680 /nfs/dbraw/zinc/95/96/80/478959680.db2.gz WMSRFDWBCOJILD-AWEZNQCLSA-N 0 0 329.360 2.792 10 5 EFBERN COc1cc(COc2cnn(C)c2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000565242453 478960102 /nfs/dbraw/zinc/96/01/02/478960102.db2.gz OWVAOOPSNXHHPZ-UHFFFAOYSA-N 0 0 331.250 2.935 10 5 EFBERN O=C(c1cn(C2CCC2)nn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592611285 478964218 /nfs/dbraw/zinc/96/42/18/478964218.db2.gz QJVPZKCMOAAXHO-UHFFFAOYSA-N 0 0 341.371 2.716 10 5 EFBERN O=C(N[C@@H]1CCCC12CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000601707223 478964940 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EFBERN Cc1cccc(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)c1[N+](=O)[O-] ZINC000596004275 479092328 /nfs/dbraw/zinc/09/23/28/479092328.db2.gz FPBINUZKCVIBFB-UHFFFAOYSA-N 0 0 328.372 2.851 10 5 EFBERN CC(C)(C(=O)N1CCCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000596006630 479093693 /nfs/dbraw/zinc/09/36/93/479093693.db2.gz QIPIXLDXODWATQ-UHFFFAOYSA-N 0 0 346.362 2.710 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596008034 479093840 /nfs/dbraw/zinc/09/38/40/479093840.db2.gz PBYMBVAPPGTDCB-UHFFFAOYSA-N 0 0 344.371 2.551 10 5 EFBERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000514938048 479094505 /nfs/dbraw/zinc/09/45/05/479094505.db2.gz WCRKWYDPBVFESR-RUXDESIVSA-N 0 0 345.399 2.784 10 5 EFBERN CCOC(=O)c1ccnc(NC[C@H]2CCc3cccnc32)c1[N+](=O)[O-] ZINC000598944923 479095206 /nfs/dbraw/zinc/09/52/06/479095206.db2.gz DELKZBQLJHJFOY-GFCCVEGCSA-N 0 0 342.355 2.703 10 5 EFBERN C[C@@H]1C(=O)Nc2ccccc2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000598947429 479096262 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CCOc1cc(CN2CCO[C@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000601978190 479106681 /nfs/dbraw/zinc/10/66/81/479106681.db2.gz VPCQROLZDXLOBZ-ZDUSSCGKSA-N 0 0 330.331 2.850 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000598980806 479112562 /nfs/dbraw/zinc/11/25/62/479112562.db2.gz XCOXBWYXFCWMPC-LSDHHAIUSA-N 0 0 331.397 2.988 10 5 EFBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC12CC2 ZINC000598985270 479114772 /nfs/dbraw/zinc/11/47/72/479114772.db2.gz LUJXIXJUWVLJGS-ZDUSSCGKSA-N 0 0 333.388 2.853 10 5 EFBERN COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])cc1O ZINC000598989551 479116526 /nfs/dbraw/zinc/11/65/26/479116526.db2.gz LRRFZLZTYDWSOQ-HNNXBMFYSA-N 0 0 344.367 2.540 10 5 EFBERN COc1cc(N(C)CC(=O)NC(C)(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596064471 479117015 /nfs/dbraw/zinc/11/70/15/479117015.db2.gz WQTHGLUWDBYMFS-UHFFFAOYSA-N 0 0 329.784 2.608 10 5 EFBERN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000598992773 479118284 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CC(C)(C)OC(=O)[C@@](C)(O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599068970 479147414 /nfs/dbraw/zinc/14/74/14/479147414.db2.gz RQVSHTWVDIDNEC-KRWDZBQOSA-N 0 0 347.371 2.648 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC(CCO)CC2)ccc1[N+](=O)[O-] ZINC000596117131 479147643 /nfs/dbraw/zinc/14/76/43/479147643.db2.gz WIOSUBWSVUXKKH-UHFFFAOYSA-N 0 0 342.779 2.634 10 5 EFBERN CCO[C@@]1(C)C[C@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599071970 479149340 /nfs/dbraw/zinc/14/93/40/479149340.db2.gz DCWRYRAFXYPULP-VYDXJSESSA-N 0 0 330.388 2.575 10 5 EFBERN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000599071217 479149726 /nfs/dbraw/zinc/14/97/26/479149726.db2.gz RIVNXIXUNOUOJF-SJCJKPOMSA-N 0 0 329.356 2.527 10 5 EFBERN O=C([C@H]1CCCC12CC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599071176 479149787 /nfs/dbraw/zinc/14/97/87/479149787.db2.gz PLAQZCHAIHIGBI-MRXNPFEDSA-N 0 0 329.400 2.824 10 5 EFBERN COC(=O)c1c(Cl)c(NCCOCC2CC2)ccc1[N+](=O)[O-] ZINC000596118979 479150102 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CC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000599081748 479153516 /nfs/dbraw/zinc/15/35/16/479153516.db2.gz LWXIBOPACBLEJV-JCRSYGSLSA-N 0 0 333.413 2.879 10 5 EFBERN COC(=O)Cc1ccnc(NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000596134444 479157347 /nfs/dbraw/zinc/15/73/47/479157347.db2.gz IUCVQBUKQKRZBU-UHFFFAOYSA-N 0 0 343.383 2.562 10 5 EFBERN COc1cc(NC[C@H](C)CN2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596135071 479157484 /nfs/dbraw/zinc/15/74/84/479157484.db2.gz QINMFVIQWJLYGE-NSHDSACASA-N 0 0 343.811 2.637 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@H](C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000596135007 479158114 /nfs/dbraw/zinc/15/81/14/479158114.db2.gz BYUKZSWTZUCWMO-BDAKNGLRSA-N 0 0 330.768 2.854 10 5 EFBERN COC(=O)c1c(Cl)c(N[C@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000596138570 479158828 /nfs/dbraw/zinc/15/88/28/479158828.db2.gz XWYHQPNJMJVGOU-SECBINFHSA-N 0 0 330.768 2.854 10 5 EFBERN CCc1cnc(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000593075035 479159602 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COCC1(C2CCC2)CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000596441985 479297336 /nfs/dbraw/zinc/29/73/36/479297336.db2.gz SQTYKRAXYLENGQ-UHFFFAOYSA-N 0 0 348.399 2.943 10 5 EFBERN O=[N+]([O-])c1ccc(-c2csc(NCCO[C@H]3CC3(F)F)n2)cc1 ZINC000596446921 479297695 /nfs/dbraw/zinc/29/76/95/479297695.db2.gz HRONAIXKYQXRFR-LBPRGKRZSA-N 0 0 341.339 2.976 10 5 EFBERN Cn1ncc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1C(F)F ZINC000611159859 479297833 /nfs/dbraw/zinc/29/78/33/479297833.db2.gz YCRJQYXARUKSMB-UHFFFAOYSA-N 0 0 339.302 2.707 10 5 EFBERN COC(=O)c1c(Cl)c(N2C[C@@H](C)C(=O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596447126 479298022 /nfs/dbraw/zinc/29/80/22/479298022.db2.gz LVUJLIKRNXEIGY-RKDXNWHRSA-N 0 0 340.763 2.696 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2Cc3ccccc3[C@@H]2C)n1 ZINC000596448209 479299689 /nfs/dbraw/zinc/29/96/89/479299689.db2.gz KUQAQNBTPFOHGB-IINYFYTJSA-N 0 0 327.340 2.917 10 5 EFBERN C[C@@H](COCC1CC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593331886 479300482 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2.774 10 5 EFBERN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1=O ZINC000596462073 479304892 /nfs/dbraw/zinc/30/48/92/479304892.db2.gz KKFFHINODNKOMX-RKDXNWHRSA-N 0 0 325.752 2.937 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@](O)(C2CC2)C1 ZINC000596461191 479305354 /nfs/dbraw/zinc/30/53/54/479305354.db2.gz CYHNPBCAQSNDKX-SFHVURJKSA-N 0 0 343.383 2.893 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccc(F)cc3[C@H](C)C2)n1 ZINC000593352066 479306690 /nfs/dbraw/zinc/30/66/90/479306690.db2.gz BZPGQDBMPSLRKZ-LLVKDONJSA-N 0 0 346.362 2.752 10 5 EFBERN C[C@H]1CC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CS1(=O)=O ZINC000596467386 479306877 /nfs/dbraw/zinc/30/68/77/479306877.db2.gz XODYLDKCIWGWSI-QWRGUYRKSA-N 0 0 335.385 2.521 10 5 EFBERN CCC(=O)c1ccc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000596466233 479307319 /nfs/dbraw/zinc/30/73/19/479307319.db2.gz PSNLIJLJFNKCGA-CMPLNLGQSA-N 0 0 340.401 2.565 10 5 EFBERN C[C@@H]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CS1(=O)=O 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RQDWJEGTNHMIPH-ZBFHGGJFSA-N 0 0 349.431 2.797 10 5 EFBERN C[C@@H]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])O1 ZINC000596474798 479310546 /nfs/dbraw/zinc/31/05/46/479310546.db2.gz OLRXFMWBDNIFFL-RKDXNWHRSA-N 0 0 330.182 2.544 10 5 EFBERN C[C@@H]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])O1 ZINC000596475525 479310707 /nfs/dbraw/zinc/31/07/07/479310707.db2.gz SSFKLMAHNJMBSI-BXUZGUMPSA-N 0 0 333.388 2.857 10 5 EFBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000593359619 479310680 /nfs/dbraw/zinc/31/06/80/479310680.db2.gz PTDYMPJURNFQEW-JTQLQIEISA-N 0 0 328.390 2.849 10 5 EFBERN C[C@H]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])O1 ZINC000596475528 479310903 /nfs/dbraw/zinc/31/09/03/479310903.db2.gz SSFKLMAHNJMBSI-SMDDNHRTSA-N 0 0 333.388 2.857 10 5 EFBERN C[C@@]12COC[C@H]1CN(c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000596479769 479311323 /nfs/dbraw/zinc/31/13/23/479311323.db2.gz KMAALRXSGSNURW-NOZJJQNGSA-N 0 0 327.178 2.830 10 5 EFBERN COc1ccnc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1F ZINC000596479689 479311596 /nfs/dbraw/zinc/31/15/96/479311596.db2.gz VERNWNUUZVDGRV-UHFFFAOYSA-N 0 0 346.318 2.634 10 5 EFBERN O=C(c1ccccc1)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000596480774 479312111 /nfs/dbraw/zinc/31/21/11/479312111.db2.gz IYPFLGRKLWJFCM-HNAYVOBHSA-N 0 0 338.363 2.787 10 5 EFBERN O=C(NCC1(O)CCC(F)(F)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000596486276 479313264 /nfs/dbraw/zinc/31/32/64/479313264.db2.gz HXZHHACBMARWDI-UHFFFAOYSA-N 0 0 329.303 2.657 10 5 EFBERN COC(=O)c1occc1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000596486509 479314789 /nfs/dbraw/zinc/31/47/89/479314789.db2.gz LMGSLNYTQYPUFN-UHFFFAOYSA-N 0 0 348.311 2.682 10 5 EFBERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000599506473 479315879 /nfs/dbraw/zinc/31/58/79/479315879.db2.gz CHTLRCQIYMMELN-HOCLYGCPSA-N 0 0 338.429 2.732 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000599506496 479315977 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O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](C1CC1)C1CCOCC1 ZINC000593384559 479320644 /nfs/dbraw/zinc/32/06/44/479320644.db2.gz SAUFZWDJACVOAQ-KRWDZBQOSA-N 0 0 347.415 2.642 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC23CC3)c(F)c1 ZINC000599521977 479320786 /nfs/dbraw/zinc/32/07/86/479320786.db2.gz XEBPBGQELILTOY-SNVBAGLBSA-N 0 0 328.365 2.593 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(F)c1 ZINC000596515122 479323968 /nfs/dbraw/zinc/32/39/68/479323968.db2.gz SGXNEFHERYINPP-HZPDHXFCSA-N 0 0 335.379 2.789 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000596515146 479324041 /nfs/dbraw/zinc/32/40/41/479324041.db2.gz WSJVCUCFAJJLDG-IAGOWNOFSA-N 0 0 331.416 2.959 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593396798 479324204 /nfs/dbraw/zinc/32/42/04/479324204.db2.gz DLMUKLJIUFYESF-AWEZNQCLSA-N 0 0 325.315 2.844 10 5 EFBERN COC(=O)c1cc(C)nc(N2CC3(CCCC3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596516177 479324382 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CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1csc([N+](=O)[O-])c1 ZINC000599547875 479327430 /nfs/dbraw/zinc/32/74/30/479327430.db2.gz GVAKRFXYPNYSCS-AWEZNQCLSA-N 0 0 336.369 2.912 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2COC[C@H]2C1 ZINC000596526471 479327872 /nfs/dbraw/zinc/32/78/72/479327872.db2.gz DZKDNEUKOVOHKS-NXEZZACHSA-N 0 0 327.178 2.830 10 5 EFBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2COC[C@H]2C1 ZINC000596526475 479328086 /nfs/dbraw/zinc/32/80/86/479328086.db2.gz DZKDNEUKOVOHKS-VHSXEESVSA-N 0 0 327.178 2.830 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2COC[C@H]2C1 ZINC000596526724 479328846 /nfs/dbraw/zinc/32/88/46/479328846.db2.gz GGSWGXDQASIFCZ-NWDGAFQWSA-N 0 0 329.356 2.624 10 5 EFBERN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2COC[C@H]2C1 ZINC000596526726 479329039 /nfs/dbraw/zinc/32/90/39/479329039.db2.gz GGSWGXDQASIFCZ-VXGBXAGGSA-N 0 0 329.356 2.624 10 5 EFBERN Cc1cc(N2CC[C@@H]3COC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596528166 479329145 /nfs/dbraw/zinc/32/91/45/479329145.db2.gz MESVWVSZIQTXTH-HUUCEWRRSA-N 0 0 340.383 2.833 10 5 EFBERN O=[N+]([O-])c1cccc2ncnc(N3CCC(c4ccon4)CC3)c21 ZINC000596530828 479329694 /nfs/dbraw/zinc/32/96/94/479329694.db2.gz WMCVIKZKZKJXML-UHFFFAOYSA-N 0 0 325.328 2.910 10 5 EFBERN COC(=O)c1c(Cl)c(N2CC[C@@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596530643 479330035 /nfs/dbraw/zinc/33/00/35/479330035.db2.gz VJFVBDQZAJDYOV-ZJUUUORDSA-N 0 0 340.763 2.508 10 5 EFBERN Cc1cc(N2CCC3(COC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596530272 479330108 /nfs/dbraw/zinc/33/01/08/479330108.db2.gz MRKCGKBNHAYSEU-UHFFFAOYSA-N 0 0 326.356 2.587 10 5 EFBERN CC(C)(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@]1(O)CCCOC1 ZINC000596533715 479331353 /nfs/dbraw/zinc/33/13/53/479331353.db2.gz KKTUKCBBVBZYQL-GOSISDBHSA-N 0 0 349.431 2.848 10 5 EFBERN Cc1c(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000585800615 479331505 /nfs/dbraw/zinc/33/15/05/479331505.db2.gz BSVQNUUVBGPCNA-JQHSSLGASA-N 0 0 334.416 2.655 10 5 EFBERN CCOc1cc(NCCN2C[C@H]3CCCCN3C2=O)ccc1[N+](=O)[O-] ZINC000596536718 479331934 /nfs/dbraw/zinc/33/19/34/479331934.db2.gz ZLIZDWINGZVHIY-CQSZACIVSA-N 0 0 348.403 2.696 10 5 EFBERN CCOc1cc(N2CCC[C@@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000596536641 479332363 /nfs/dbraw/zinc/33/23/63/479332363.db2.gz RTCOOZQWOOLNFM-CYBMUJFWSA-N 0 0 335.404 2.735 10 5 EFBERN O=C1N(CCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]2CCCCN12 ZINC000596536392 479332479 /nfs/dbraw/zinc/33/24/79/479332479.db2.gz WZNRFODEGUBXBO-JTQLQIEISA-N 0 0 340.330 2.575 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nncn2C2CC2)c1 ZINC000593419659 479332874 /nfs/dbraw/zinc/33/28/74/479332874.db2.gz CFJZQOFAUTWRNI-UHFFFAOYSA-N 0 0 334.357 2.600 10 5 EFBERN CCn1c(C)nnc1SCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593423766 479333901 /nfs/dbraw/zinc/33/39/01/479333901.db2.gz JAJQEOIKUZYSHL-UHFFFAOYSA-N 0 0 336.373 2.594 10 5 EFBERN COC(=O)c1cnc(N(C)C[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000596542820 479334089 /nfs/dbraw/zinc/33/40/89/479334089.db2.gz JGBLTANQFGZNSJ-CYBMUJFWSA-N 0 0 341.367 2.943 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)n1 ZINC000596541165 479334198 /nfs/dbraw/zinc/33/41/98/479334198.db2.gz YKQLCFVYMUYVJJ-BYCMXARLSA-N 0 0 343.314 2.666 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)NCCCn2cncn2)cc1[N+](=O)[O-] ZINC000585807921 479334801 /nfs/dbraw/zinc/33/48/01/479334801.db2.gz KSUURKDSSLAWQJ-UHFFFAOYSA-N 0 0 346.391 2.696 10 5 EFBERN C[C@]1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCOC1 ZINC000574714152 479334890 /nfs/dbraw/zinc/33/48/90/479334890.db2.gz QCTKNLWLTNYJRH-HXUWFJFHSA-N 0 0 336.391 2.838 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C(C)(C)c1ccccc1 ZINC000585810142 479335025 /nfs/dbraw/zinc/33/50/25/479335025.db2.gz OGHVHAAIEVWGBE-UHFFFAOYSA-N 0 0 330.388 2.884 10 5 EFBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(Cl)o2)s1 ZINC000611280653 479335283 /nfs/dbraw/zinc/33/52/83/479335283.db2.gz VWOWUDREOBXXGI-UHFFFAOYSA-N 0 0 336.778 2.918 10 5 EFBERN CCOC(=O)Cc1ccc(NC[C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000596545583 479335298 /nfs/dbraw/zinc/33/52/98/479335298.db2.gz SXWKRZAQKYAJFU-CYBMUJFWSA-N 0 0 336.388 2.927 10 5 EFBERN CC(=O)c1ccc2c(c1)oc(=O)n2Cc1ccc([N+](=O)[O-])cc1F ZINC000585814490 479336087 /nfs/dbraw/zinc/33/60/87/479336087.db2.gz YWBMHHGRFIUXJG-UHFFFAOYSA-N 0 0 330.271 2.893 10 5 EFBERN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000596555667 479337174 /nfs/dbraw/zinc/33/71/74/479337174.db2.gz SNCVNAKRAVKCRB-SCZZXKLOSA-N 0 0 336.314 2.666 10 5 EFBERN CC(=O)c1cc(N2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596558900 479339077 /nfs/dbraw/zinc/33/90/77/479339077.db2.gz UMGRCKIXYPMICH-LLVKDONJSA-N 0 0 332.278 2.955 10 5 EFBERN CC(C)Oc1nc(N2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596558267 479339501 /nfs/dbraw/zinc/33/95/01/479339501.db2.gz PNYBOIAHABGHIJ-SNVBAGLBSA-N 0 0 349.309 2.935 10 5 EFBERN O=C([C@@H]1CC12CCN(c1cccnc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611298774 479341403 /nfs/dbraw/zinc/34/14/03/479341403.db2.gz OEZDOGALFQMELM-AWEZNQCLSA-N 0 0 344.415 2.609 10 5 EFBERN COC(=O)c1cc(C)nc(N[C@@H](c2ccccc2)[C@@H](C)O)c1[N+](=O)[O-] ZINC000596563925 479341576 /nfs/dbraw/zinc/34/15/76/479341576.db2.gz AACBNXPWWLLMNU-BXUZGUMPSA-N 0 0 345.355 2.619 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@@](C)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000596572846 479344230 /nfs/dbraw/zinc/34/42/30/479344230.db2.gz HICRKFQZRHJTBK-RMLUDKJBSA-N 0 0 334.294 2.991 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000596573245 479344344 /nfs/dbraw/zinc/34/43/44/479344344.db2.gz JZKBENJDNZTLTN-RFAUZJTJSA-N 0 0 344.314 2.630 10 5 EFBERN CC12CC(C1)CN2c1c(I)cncc1[N+](=O)[O-] ZINC000596574211 479345087 /nfs/dbraw/zinc/34/50/87/479345087.db2.gz FNAOCIYBFGPSMZ-UHFFFAOYSA-N 0 0 345.140 2.583 10 5 EFBERN COc1cc(N2C[C@H](C)O[C@@](C)(C(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000596572816 479344387 /nfs/dbraw/zinc/34/43/87/479344387.db2.gz GPGMZLJXPQPXEX-RMLUDKJBSA-N 0 0 334.294 2.991 10 5 EFBERN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000596573924 479345266 /nfs/dbraw/zinc/34/52/66/479345266.db2.gz ZMOMLBRKTXDKMD-WPPNPWJKSA-N 0 0 344.343 2.848 10 5 EFBERN Cc1c(CNC(=O)N[C@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000596579231 479345713 /nfs/dbraw/zinc/34/57/13/479345713.db2.gz MFQVMPMCNTUJSD-GUYCJALGSA-N 0 0 343.383 2.825 10 5 EFBERN CC(C)(C)OC(=O)[C@H](CNc1ncc([N+](=O)[O-])s1)C1CCC1 ZINC000596581255 479346728 /nfs/dbraw/zinc/34/67/28/479346728.db2.gz GJAJFYLGXCOPEW-SNVBAGLBSA-N 0 0 327.406 2.643 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(Cc2ccccn2)CC1 ZINC000593454721 479348400 /nfs/dbraw/zinc/34/84/00/479348400.db2.gz KRUUFVYBMHEODD-UHFFFAOYSA-N 0 0 349.394 2.860 10 5 EFBERN CC(C)(C)C(=O)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593457548 479350119 /nfs/dbraw/zinc/35/01/19/479350119.db2.gz MKWOPDUNYHALDZ-UHFFFAOYSA-N 0 0 342.399 2.838 10 5 EFBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@H](CCF)C1 ZINC000596587322 479350085 /nfs/dbraw/zinc/35/00/85/479350085.db2.gz KMGWRVNSWGZIGJ-NSHDSACASA-N 0 0 349.366 2.752 10 5 EFBERN COc1cc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000586776984 479350363 /nfs/dbraw/zinc/35/03/63/479350363.db2.gz BGUJIGRBNMZMGP-RNCFNFMXSA-N 0 0 334.294 2.755 10 5 EFBERN Cc1cc(Cc2noc([C@]34C[C@H]3COC4(C)C)n2)ccc1[N+](=O)[O-] ZINC000596589925 479350376 /nfs/dbraw/zinc/35/03/76/479350376.db2.gz GVIMBTBZXGOWSE-SJCJKPOMSA-N 0 0 329.356 2.944 10 5 EFBERN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593461351 479350711 /nfs/dbraw/zinc/35/07/11/479350711.db2.gz KNUAXSWUKNTKDX-DGCLKSJQSA-N 0 0 349.412 2.911 10 5 EFBERN COc1cccc(CN(CC(C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000611335002 479350949 /nfs/dbraw/zinc/35/09/49/479350949.db2.gz XDHKANIGSAISMW-UHFFFAOYSA-N 0 0 346.387 2.635 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2NCCCOC[C@H]1CCOC1 ZINC000593460235 479350892 /nfs/dbraw/zinc/35/08/92/479350892.db2.gz APCFIORNAXFMBF-CYBMUJFWSA-N 0 0 331.372 2.998 10 5 EFBERN CCCCCc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)n[nH]1 ZINC000596592425 479351231 /nfs/dbraw/zinc/35/12/31/479351231.db2.gz FVWBEVLWZKRISF-UHFFFAOYSA-N 0 0 345.363 2.810 10 5 EFBERN C[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000574807276 479351243 /nfs/dbraw/zinc/35/12/43/479351243.db2.gz XXYSLRHJMOJLJZ-QMMMGPOBSA-N 0 0 344.293 2.869 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C)[C@@H]3CCCO3)n2)c1 ZINC000596591531 479351477 /nfs/dbraw/zinc/35/14/77/479351477.db2.gz JPPFLKBRFAHNKI-ABAIWWIYSA-N 0 0 347.371 2.935 10 5 EFBERN COc1ccc([N+](=O)[O-])c(Cc2noc(C(C)(C)n3cccn3)n2)c1 ZINC000596592720 479351751 /nfs/dbraw/zinc/35/17/51/479351751.db2.gz OEQONZKXRYPFLT-UHFFFAOYSA-N 0 0 343.343 2.557 10 5 EFBERN C[C@H]([C@H](C)Nc1ccnc2cc([N+](=O)[O-])ccc21)N1CCOCC1 ZINC000593461960 479351942 /nfs/dbraw/zinc/35/19/42/479351942.db2.gz WMSCRHHYDLFLBO-QWHCGFSZSA-N 0 0 330.388 2.664 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H](Cn2ccnn2)C1 ZINC000593467013 479353805 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2.838 10 5 EFBERN C[C@@H]1OCC[C@]12CN(c1ccnc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000593471315 479356807 /nfs/dbraw/zinc/35/68/07/479356807.db2.gz VUTGSLHXUYIDNJ-SJCJKPOMSA-N 0 0 329.356 2.527 10 5 EFBERN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C12CC(c3ccccc3)(C1)C2 ZINC000586802209 479356925 /nfs/dbraw/zinc/35/69/25/479356925.db2.gz UOKXJKQMGIUPGB-UHFFFAOYSA-N 0 0 348.362 2.953 10 5 EFBERN O=[N+]([O-])c1ccc2c(c1)nccc2N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000593474917 479357939 /nfs/dbraw/zinc/35/79/39/479357939.db2.gz DRFYOGLEVAAIOB-RVZJWNSFSA-N 0 0 343.383 2.509 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599625901 479358413 /nfs/dbraw/zinc/35/84/13/479358413.db2.gz QTQDDZPJXZANQX-RSQPEXBXSA-N 0 0 332.360 2.546 10 5 EFBERN C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806003 479358626 /nfs/dbraw/zinc/35/86/26/479358626.db2.gz QFGVCFZMVIZCHX-CHWSQXEVSA-N 0 0 347.415 2.683 10 5 EFBERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599625900 479358629 /nfs/dbraw/zinc/35/86/29/479358629.db2.gz QTQDDZPJXZANQX-KIGUWFBYSA-N 0 0 332.360 2.546 10 5 EFBERN Cc1nn(C)c(-c2nc(Cc3ccc(C)c(C)c3)no2)c1[N+](=O)[O-] ZINC000596613367 479358753 /nfs/dbraw/zinc/35/87/53/479358753.db2.gz BNPQKLGNMYQXGF-UHFFFAOYSA-N 0 0 327.344 2.894 10 5 EFBERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599627222 479359809 /nfs/dbraw/zinc/35/98/09/479359809.db2.gz VAFVFHXLXPOFEX-RSQPEXBXSA-N 0 0 332.360 2.546 10 5 EFBERN Cc1nc(-c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)[nH]c1C ZINC000596619963 479360277 /nfs/dbraw/zinc/36/02/77/479360277.db2.gz MGHBKDHTKZBOKS-UHFFFAOYSA-N 0 0 341.327 2.800 10 5 EFBERN C[C@@]1(c2cccc(F)c2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000593482971 479361484 /nfs/dbraw/zinc/36/14/84/479361484.db2.gz VUDANXLOXBGDAE-QGZVFWFLSA-N 0 0 341.346 2.945 10 5 EFBERN COc1ccc(Cc2nc(-c3nc(C)c(C)[nH]3)no2)cc1[N+](=O)[O-] ZINC000596621385 479361545 /nfs/dbraw/zinc/36/15/45/479361545.db2.gz MCQLQYMVIMUCAY-UHFFFAOYSA-N 0 0 329.316 2.584 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(CO)CCc3ccccc32)n1 ZINC000593483243 479361671 /nfs/dbraw/zinc/36/16/71/479361671.db2.gz CVDIMSQGDBBNSD-GOSISDBHSA-N 0 0 327.384 2.895 10 5 EFBERN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc[nH]c1=O ZINC000586835971 479361887 /nfs/dbraw/zinc/36/18/87/479361887.db2.gz PEFIXKTZMVZVRO-UHFFFAOYSA-N 0 0 338.117 2.710 10 5 EFBERN Cc1cn2c(n1)C[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000599633989 479362081 /nfs/dbraw/zinc/36/20/81/479362081.db2.gz DQARTOBMJUZEFW-HIFRSBDPSA-N 0 0 342.399 2.848 10 5 EFBERN CCC[C@H](O)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000586835973 479362306 /nfs/dbraw/zinc/36/23/06/479362306.db2.gz PVPXASCQCUNHIH-NSHDSACASA-N 0 0 331.166 2.847 10 5 EFBERN C[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccccc1[N+](=O)[O-] ZINC000611385365 479362637 /nfs/dbraw/zinc/36/26/37/479362637.db2.gz UCVQIVPOUCAZCC-MGPLVRAMSA-N 0 0 330.315 2.915 10 5 EFBERN CC[C@H](OCCNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000593488534 479363677 /nfs/dbraw/zinc/36/36/77/479363677.db2.gz KXFCETUPNHPBSS-AWEZNQCLSA-N 0 0 344.371 2.669 10 5 EFBERN CNC(=O)c1ccc(N[C@H](C2CC2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000593492885 479365825 /nfs/dbraw/zinc/36/58/25/479365825.db2.gz QUPTYGFRAKSIQQ-MRXNPFEDSA-N 0 0 333.388 2.572 10 5 EFBERN COC(=O)Cc1ccc(N[C@@H](C2CC2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000593492253 479365843 /nfs/dbraw/zinc/36/58/43/479365843.db2.gz VPXBFJDORPTAKI-SFHVURJKSA-N 0 0 348.399 2.927 10 5 EFBERN Cc1c(NC(=O)NCC2(O)CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000596636836 479366411 /nfs/dbraw/zinc/36/64/11/479366411.db2.gz WFNHWUHMAKIYEW-UHFFFAOYSA-N 0 0 343.330 2.965 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C(=O)OC(C)(C)C)C1 ZINC000596639771 479367994 /nfs/dbraw/zinc/36/79/94/479367994.db2.gz YYPVXWYISFLRTO-UHFFFAOYSA-N 0 0 335.360 2.709 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H]2CCC[C@H]21 ZINC000599649881 479367865 /nfs/dbraw/zinc/36/78/65/479367865.db2.gz DTFMGYZQOPOKTF-XHSDSOJGSA-N 0 0 348.399 2.767 10 5 EFBERN COC(=O)C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000596639759 479368079 /nfs/dbraw/zinc/36/80/79/479368079.db2.gz YTIOLHZLVDAFBW-LBPRGKRZSA-N 0 0 335.360 2.614 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000599648860 479368732 /nfs/dbraw/zinc/36/87/32/479368732.db2.gz BIBCMVRUHLQTNG-JMSVASOKSA-N 0 0 336.363 2.898 10 5 EFBERN COC(=O)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599648866 479368941 /nfs/dbraw/zinc/36/89/41/479368941.db2.gz BIBCMVRUHLQTNG-ZOWXZIJZSA-N 0 0 336.363 2.898 10 5 EFBERN C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593505189 479369578 /nfs/dbraw/zinc/36/95/78/479369578.db2.gz UKSBZLFCFHIZAU-LBPRGKRZSA-N 0 0 325.368 2.860 10 5 EFBERN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1nc2ccccc2[nH]1 ZINC000587088734 479370093 /nfs/dbraw/zinc/37/00/93/479370093.db2.gz UHTKXOBWMBKALZ-SECBINFHSA-N 0 0 327.344 2.719 10 5 EFBERN CC[C@H](NC(=O)Cc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593506829 479370759 /nfs/dbraw/zinc/37/07/59/479370759.db2.gz CPEOTKDVPSUNBH-INIZCTEOSA-N 0 0 342.399 2.938 10 5 EFBERN C[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)N1CCc2ccccc21 ZINC000587152745 479371026 /nfs/dbraw/zinc/37/10/26/479371026.db2.gz RZHNGXLCCMLQMS-GFCCVEGCSA-N 0 0 342.399 2.532 10 5 EFBERN C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)N1CCc2ccccc21 ZINC000587152746 479371239 /nfs/dbraw/zinc/37/12/39/479371239.db2.gz RZHNGXLCCMLQMS-LBPRGKRZSA-N 0 0 342.399 2.532 10 5 EFBERN Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000587416229 479371587 /nfs/dbraw/zinc/37/15/87/479371587.db2.gz TVYWUUDJXSSMFN-CABZTGNLSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000587416230 479371594 /nfs/dbraw/zinc/37/15/94/479371594.db2.gz TVYWUUDJXSSMFN-JOYOIKCWSA-N 0 0 332.278 2.695 10 5 EFBERN CCOC(=O)COc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000596647141 479371723 /nfs/dbraw/zinc/37/17/23/479371723.db2.gz CEHCCJACAWQZIY-UHFFFAOYSA-N 0 0 345.351 2.739 10 5 EFBERN C[C@H](Cn1ncc2ccccc2c1=O)Nc1sccc1[N+](=O)[O-] ZINC000611414236 479371731 /nfs/dbraw/zinc/37/17/31/479371731.db2.gz KQQNZSLPTUDNCM-SNVBAGLBSA-N 0 0 330.369 2.867 10 5 EFBERN Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000587416228 479371868 /nfs/dbraw/zinc/37/18/68/479371868.db2.gz TVYWUUDJXSSMFN-BXKDBHETSA-N 0 0 332.278 2.695 10 5 EFBERN Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000587416211 479371872 /nfs/dbraw/zinc/37/18/72/479371872.db2.gz SIUITTLGTXMFOW-SKDRFNHKSA-N 0 0 332.278 2.695 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000587405128 479371878 /nfs/dbraw/zinc/37/18/78/479371878.db2.gz MKHIPWNBQDHNPZ-RDDDGLTNSA-N 0 0 336.241 2.526 10 5 EFBERN C[C@H](C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000587416350 479372082 /nfs/dbraw/zinc/37/20/82/479372082.db2.gz YNKYTDWZTMGTFR-NRUUGDAUSA-N 0 0 346.305 2.877 10 5 EFBERN Nc1cc(NCCc2c[nH]c3cc(F)ccc23)cc(CO)c1[N+](=O)[O-] ZINC000587608021 479372386 /nfs/dbraw/zinc/37/23/86/479372386.db2.gz ZVXVWZLVEPXBFW-UHFFFAOYSA-N 0 0 344.346 2.944 10 5 EFBERN COC(=O)[C@](C)(NCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599655053 479373275 /nfs/dbraw/zinc/37/32/75/479373275.db2.gz VBUOYJRLXRSMGM-DOTOQJQBSA-N 0 0 336.388 2.532 10 5 EFBERN COC(=O)[C@@](C)(NCc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000599654724 479373293 /nfs/dbraw/zinc/37/32/93/479373293.db2.gz TYAFGWZKZJYGNN-INIZCTEOSA-N 0 0 349.774 2.821 10 5 EFBERN COC1CC(CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596657654 479375910 /nfs/dbraw/zinc/37/59/10/479375910.db2.gz AMPZDDIGSSWEPN-UHFFFAOYSA-N 0 0 335.404 2.944 10 5 EFBERN Cc1ccccc1[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587749566 479376269 /nfs/dbraw/zinc/37/62/69/479376269.db2.gz MHRBMVXAZQUHAK-CYBMUJFWSA-N 0 0 327.384 2.972 10 5 EFBERN O=[N+]([O-])c1cncc(Br)c1N1CC[C@@]2(CC2(F)F)C1 ZINC000593521107 479376319 /nfs/dbraw/zinc/37/63/19/479376319.db2.gz KEMWDPRZHULGHG-SNVBAGLBSA-N 0 0 334.120 2.988 10 5 EFBERN CCCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593525835 479376815 /nfs/dbraw/zinc/37/68/15/479376815.db2.gz LHQOLETUFJYFDE-UHFFFAOYSA-N 0 0 349.412 2.899 10 5 EFBERN Nc1cc(N2CC[C@H](c3cccc(F)c3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587881915 479377046 /nfs/dbraw/zinc/37/70/46/479377046.db2.gz JDDNUNAXYPFEQO-LBPRGKRZSA-N 0 0 331.347 2.802 10 5 EFBERN CC1(C)CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593523733 479377208 /nfs/dbraw/zinc/37/72/08/479377208.db2.gz YPGJMCLVACUYCV-HUUCEWRRSA-N 0 0 329.356 2.526 10 5 EFBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)nc1 ZINC000593529275 479377894 /nfs/dbraw/zinc/37/78/94/479377894.db2.gz BCHVDWUIDYJXPF-AWEZNQCLSA-N 0 0 333.369 2.516 10 5 EFBERN Nc1cc(N2CC[C@H](Cc3ccc(F)cc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587982215 479378686 /nfs/dbraw/zinc/37/86/86/479378686.db2.gz VUGJLZBHQWSPBX-CYBMUJFWSA-N 0 0 345.374 2.877 10 5 EFBERN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]12 ZINC000593532721 479378760 /nfs/dbraw/zinc/37/87/60/479378760.db2.gz YZPRNHXEKJPGDW-KWCYVHTRSA-N 0 0 339.417 2.579 10 5 EFBERN CC(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593532588 479379098 /nfs/dbraw/zinc/37/90/98/479379098.db2.gz XWRYXLNGXFSAOC-HNNXBMFYSA-N 0 0 349.412 2.708 10 5 EFBERN Cc1cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(C)s1 ZINC000593532569 479379176 /nfs/dbraw/zinc/37/91/76/479379176.db2.gz XTWZVDNMCSUQRJ-SECBINFHSA-N 0 0 341.414 2.708 10 5 EFBERN COc1ccccc1C[C@@H](C)N(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587987134 479379993 /nfs/dbraw/zinc/37/99/93/479379993.db2.gz OVXIGZPMBKAREJ-GFCCVEGCSA-N 0 0 345.399 2.745 10 5 EFBERN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000593534534 479380377 /nfs/dbraw/zinc/38/03/77/479380377.db2.gz CMAIBUNBLWOUAI-OAHLLOKOSA-N 0 0 347.396 2.762 10 5 EFBERN Cn1c2cc(N[C@H]3CCCC(F)(F)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588002369 479381723 /nfs/dbraw/zinc/38/17/23/479381723.db2.gz WLQMSWZDXBXXHP-VIFPVBQESA-N 0 0 340.330 2.775 10 5 EFBERN CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588012666 479383781 /nfs/dbraw/zinc/38/37/81/479383781.db2.gz XICWAGMTYNVRST-DYZYQPBXSA-N 0 0 349.362 2.997 10 5 EFBERN CCOC(=O)c1c(F)cccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000611452159 479383863 /nfs/dbraw/zinc/38/38/63/479383863.db2.gz NRAMAPGYUOMPAT-UHFFFAOYSA-N 0 0 347.302 2.866 10 5 EFBERN Cc1cccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1C ZINC000593547582 479384042 /nfs/dbraw/zinc/38/40/42/479384042.db2.gz WWYJZBYZQKSRKX-LBPRGKRZSA-N 0 0 335.385 2.646 10 5 EFBERN Cc1cccc(C(C)(C)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593548310 479384119 /nfs/dbraw/zinc/38/41/19/479384119.db2.gz XBUOTMPSBJSYHQ-UHFFFAOYSA-N 0 0 335.385 2.512 10 5 EFBERN COCC[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(C)o1 ZINC000588013302 479384186 /nfs/dbraw/zinc/38/41/86/479384186.db2.gz UFQMKBRUEHCWAN-AWEZNQCLSA-N 0 0 335.360 2.760 10 5 EFBERN Nc1cc(NCc2cc(Cl)cc3c2OCC3)cc(CO)c1[N+](=O)[O-] ZINC000588016736 479384842 /nfs/dbraw/zinc/38/48/42/479384842.db2.gz WVFIKMAEPCKEKQ-UHFFFAOYSA-N 0 0 349.774 2.870 10 5 EFBERN COCc1ccc([C@@H]2CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)o1 ZINC000588019268 479384914 /nfs/dbraw/zinc/38/49/14/479384914.db2.gz CDRMIJFTOJLRSQ-HNNXBMFYSA-N 0 0 347.371 2.750 10 5 EFBERN COc1ccc2c(c1)[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)CCO2 ZINC000588018987 479385038 /nfs/dbraw/zinc/38/50/38/479385038.db2.gz ZDNMBLGEBLQFCS-HNNXBMFYSA-N 0 0 345.355 2.614 10 5 EFBERN CC(C)C[C@@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593555762 479386503 /nfs/dbraw/zinc/38/65/03/479386503.db2.gz DXZJTPNUNKPYNM-ZDUSSCGKSA-N 0 0 341.433 2.969 10 5 EFBERN Nc1cc(N2CC[C@@](F)(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588043132 479387168 /nfs/dbraw/zinc/38/71/68/479387168.db2.gz KUENWPRHPBKMJG-KRWDZBQOSA-N 0 0 331.347 2.744 10 5 EFBERN COc1cc(CCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000596688044 479388517 /nfs/dbraw/zinc/38/85/17/479388517.db2.gz GDLDLEVCMVSPSD-IACUBPJLSA-N 0 0 348.399 2.707 10 5 EFBERN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000588068575 479389002 /nfs/dbraw/zinc/38/90/02/479389002.db2.gz VRCGJVOEHFLKQZ-SVRRBLITSA-N 0 0 348.306 2.756 10 5 EFBERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000588068570 479389050 /nfs/dbraw/zinc/38/90/50/479389050.db2.gz VRCGJVOEHFLKQZ-HTRCEHHLSA-N 0 0 348.306 2.756 10 5 EFBERN CC(C)CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593563770 479389294 /nfs/dbraw/zinc/38/92/94/479389294.db2.gz ZTJSBCRFTOFNLE-UHFFFAOYSA-N 0 0 341.433 2.827 10 5 EFBERN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000588068574 479389393 /nfs/dbraw/zinc/38/93/93/479389393.db2.gz VRCGJVOEHFLKQZ-POYBYMJQSA-N 0 0 348.306 2.756 10 5 EFBERN CC[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593578964 479392975 /nfs/dbraw/zinc/39/29/75/479392975.db2.gz RMLGIIOWXVBLGM-AWEZNQCLSA-N 0 0 347.396 2.515 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000611496667 479395464 /nfs/dbraw/zinc/39/54/64/479395464.db2.gz JGIHMIHOXGYHEJ-ZANVPECISA-N 0 0 330.381 2.580 10 5 EFBERN C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1F ZINC000611496937 479396760 /nfs/dbraw/zinc/39/67/60/479396760.db2.gz FWUQHWNNUPCVQJ-WPRPVWTQSA-N 0 0 336.772 2.617 10 5 EFBERN C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1F ZINC000611502836 479397503 /nfs/dbraw/zinc/39/75/03/479397503.db2.gz YWTWPFUYYKUSNQ-SKDRFNHKSA-N 0 0 329.759 2.867 10 5 EFBERN CC(C)CC1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593596645 479397603 /nfs/dbraw/zinc/39/76/03/479397603.db2.gz RJOBZONIQONOLB-UHFFFAOYSA-N 0 0 341.433 2.827 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC2(F)F)c1C ZINC000588144393 479398355 /nfs/dbraw/zinc/39/83/55/479398355.db2.gz HNUKPZLIOICZGF-LLVKDONJSA-N 0 0 334.344 2.678 10 5 EFBERN CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702173 479398995 /nfs/dbraw/zinc/39/89/95/479398995.db2.gz NGFKNQDEJIIJIC-CLAHSXSESA-N 0 0 325.752 2.937 10 5 EFBERN C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1F ZINC000611506198 479399763 /nfs/dbraw/zinc/39/97/63/479399763.db2.gz IFSGQGWSPAMGNE-NWDGAFQWSA-N 0 0 332.335 2.601 10 5 EFBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC2(CC(F)C2)C1 ZINC000599708108 479401395 /nfs/dbraw/zinc/40/13/95/479401395.db2.gz DYRDBJBWHRIZIF-UHFFFAOYSA-N 0 0 343.152 2.931 10 5 EFBERN COc1cc(CN2CCN(C(=O)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000611515076 479401451 /nfs/dbraw/zinc/40/14/51/479401451.db2.gz KVOHKQOEHRIPQC-UHFFFAOYSA-N 0 0 349.431 2.684 10 5 EFBERN CCC(CC)C(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000611515091 479401560 /nfs/dbraw/zinc/40/15/60/479401560.db2.gz QYXLNALRRAUJMS-UHFFFAOYSA-N 0 0 349.431 2.684 10 5 EFBERN O=C(N[C@@H]1CCCC1(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588180163 479403007 /nfs/dbraw/zinc/40/30/07/479403007.db2.gz KUVRHCOGEHKVMD-CYBMUJFWSA-N 0 0 336.298 2.698 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCC2(F)F)c1 ZINC000588180064 479403485 /nfs/dbraw/zinc/40/34/85/479403485.db2.gz FZQCXULLQFGXIH-CYBMUJFWSA-N 0 0 328.315 2.976 10 5 EFBERN Cc1ccccc1C1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000593617226 479404084 /nfs/dbraw/zinc/40/40/84/479404084.db2.gz SOAOIZIDMBNEAY-UHFFFAOYSA-N 0 0 347.396 2.656 10 5 EFBERN Nc1cc(N2CCc3[nH]c4ccccc4c3C2)cc(CO)c1[N+](=O)[O-] ZINC000611525290 479404619 /nfs/dbraw/zinc/40/46/19/479404619.db2.gz LTEKNEJHMMUELK-UHFFFAOYSA-N 0 0 338.367 2.713 10 5 EFBERN COc1ccc(OCCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000611525649 479405716 /nfs/dbraw/zinc/40/57/16/479405716.db2.gz QNNRNHNIIYMFAR-UHFFFAOYSA-N 0 0 347.371 2.559 10 5 EFBERN Nc1cc(NC[C@@H]2CCN(c3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525524 479406143 /nfs/dbraw/zinc/40/61/43/479406143.db2.gz IZSQHPOBXFHSHD-ZDUSSCGKSA-N 0 0 342.399 2.608 10 5 EFBERN CC(C)c1nc([C@@H]2CCCCCN2c2c([N+](=O)[O-])ncn2C)no1 ZINC000611531328 479406592 /nfs/dbraw/zinc/40/65/92/479406592.db2.gz UZZXFMZMULLFHL-NSHDSACASA-N 0 0 334.380 2.956 10 5 EFBERN COc1ccccc1[C@@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000611540413 479409185 /nfs/dbraw/zinc/40/91/85/479409185.db2.gz FBNGMRMFFFAFQM-ZDUSSCGKSA-N 0 0 344.371 2.704 10 5 EFBERN C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000611541214 479410737 /nfs/dbraw/zinc/41/07/37/479410737.db2.gz HDGRIOANQZMGDX-RKDXNWHRSA-N 0 0 329.282 2.805 10 5 EFBERN CCO[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000596751240 479413351 /nfs/dbraw/zinc/41/33/51/479413351.db2.gz STLNSIGYDGGGBE-SAZUREKKSA-N 0 0 333.388 2.836 10 5 EFBERN COc1ccc(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000611560770 479415825 /nfs/dbraw/zinc/41/58/25/479415825.db2.gz QOMJGXRISUNANI-MRXNPFEDSA-N 0 0 339.355 2.933 10 5 EFBERN CCc1ccc(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593667502 479416584 /nfs/dbraw/zinc/41/65/84/479416584.db2.gz WUJCGGQRHYEEHZ-CYBMUJFWSA-N 0 0 346.355 2.577 10 5 EFBERN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2[C@H](C)C[C@H]2C)c1 ZINC000593668402 479417431 /nfs/dbraw/zinc/41/74/31/479417431.db2.gz ACZRAFPXYDNGIH-CHWSQXEVSA-N 0 0 328.372 2.771 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(Cc2ccco2)C1 ZINC000599779781 479422994 /nfs/dbraw/zinc/42/29/94/479422994.db2.gz KKLVSLDACZWCSE-UHFFFAOYSA-N 0 0 331.328 2.903 10 5 EFBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c(C2CCC2)cnn1C ZINC000596777442 479424448 /nfs/dbraw/zinc/42/44/48/479424448.db2.gz ZSXSJKTYUYXDIB-UHFFFAOYSA-N 0 0 328.372 2.868 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)o1 ZINC000603747609 479424910 /nfs/dbraw/zinc/42/49/10/479424910.db2.gz BYZPPLNKROJXSF-UHFFFAOYSA-N 0 0 338.751 2.753 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000603739955 479425452 /nfs/dbraw/zinc/42/54/52/479425452.db2.gz LTHZVLILNCZINO-CYBMUJFWSA-N 0 0 338.367 2.927 10 5 EFBERN COCc1ccnc(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000593695676 479426704 /nfs/dbraw/zinc/42/67/04/479426704.db2.gz DMOHWWACIPFMCK-GFCCVEGCSA-N 0 0 344.371 2.965 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H](CCF)C1 ZINC000599792478 479427002 /nfs/dbraw/zinc/42/70/02/479427002.db2.gz VWSOPWUXBQCMRS-LBPRGKRZSA-N 0 0 325.340 2.804 10 5 EFBERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000596788895 479428505 /nfs/dbraw/zinc/42/85/05/479428505.db2.gz XOSYBOYGQGQRMC-TXEJJXNPSA-N 0 0 335.360 2.627 10 5 EFBERN Nc1c(NC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800987 479429683 /nfs/dbraw/zinc/42/96/83/479429683.db2.gz NIDCGJZFMWBTMU-CABZTGNLSA-N 0 0 340.767 2.519 10 5 EFBERN CC1(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCO1 ZINC000611615213 479429772 /nfs/dbraw/zinc/42/97/72/479429772.db2.gz CKMYONKAADBAIV-UHFFFAOYSA-N 0 0 344.314 2.837 10 5 EFBERN CCC(CC)C(=O)N1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615703 479429819 /nfs/dbraw/zinc/42/98/19/479429819.db2.gz LIWYLKTXIQDGRX-UHFFFAOYSA-N 0 0 334.420 2.691 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593703297 479429917 /nfs/dbraw/zinc/42/99/17/479429917.db2.gz BPNBIORJCHHDMH-DOMZBBRYSA-N 0 0 340.383 2.992 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000611617462 479430509 /nfs/dbraw/zinc/43/05/09/479430509.db2.gz XRLLNLAFZAEHKZ-CYBMUJFWSA-N 0 0 342.403 2.986 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccc(Cl)cn3)CC2)n1 ZINC000611616661 479430525 /nfs/dbraw/zinc/43/05/25/479430525.db2.gz KYHXOECAHJVICI-UHFFFAOYSA-N 0 0 347.806 2.982 10 5 EFBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1 ZINC000611616509 479430756 /nfs/dbraw/zinc/43/07/56/479430756.db2.gz UVNJBTKMLFRBOX-CQSZACIVSA-N 0 0 348.447 2.985 10 5 EFBERN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCOCC12CCC2 ZINC000611619024 479432512 /nfs/dbraw/zinc/43/25/12/479432512.db2.gz QGWNUUJWWJOPQL-UHFFFAOYSA-N 0 0 342.298 2.591 10 5 EFBERN C[C@H](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000599810154 479433326 /nfs/dbraw/zinc/43/33/26/479433326.db2.gz ZNNHETDDWZAZRD-SECBINFHSA-N 0 0 332.278 2.773 10 5 EFBERN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCCCCO1 ZINC000599811700 479434580 /nfs/dbraw/zinc/43/45/80/479434580.db2.gz UUDQTELKXNAONV-UHFFFAOYSA-N 0 0 329.150 2.915 10 5 EFBERN COCc1ccnc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000593725502 479435260 /nfs/dbraw/zinc/43/52/60/479435260.db2.gz NIYXTSHWTCEJLX-KBPBESRZSA-N 0 0 331.376 2.929 10 5 EFBERN COCc1ccnc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000593725504 479435279 /nfs/dbraw/zinc/43/52/79/479435279.db2.gz NIYXTSHWTCEJLX-UONOGXRCSA-N 0 0 331.376 2.929 10 5 EFBERN O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596811050 479435930 /nfs/dbraw/zinc/43/59/30/479435930.db2.gz BCXBVRHWKYCSBY-IAOVAPTHSA-N 0 0 329.400 2.680 10 5 EFBERN C[C@@H](Cc1ccco1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000596813733 479437054 /nfs/dbraw/zinc/43/70/54/479437054.db2.gz OHNNSZRALDHLFE-AWEZNQCLSA-N 0 0 343.383 2.715 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC1(F)F ZINC000588757053 479437136 /nfs/dbraw/zinc/43/71/36/479437136.db2.gz PGSYPXRNFMHDKP-CYBMUJFWSA-N 0 0 327.331 2.967 10 5 EFBERN O=C(CCc1ccccc1)Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000575400857 479437681 /nfs/dbraw/zinc/43/76/81/479437681.db2.gz ZFSSCNOPRKDPCK-UHFFFAOYSA-N 0 0 340.379 2.837 10 5 EFBERN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000593741940 479441909 /nfs/dbraw/zinc/44/19/09/479441909.db2.gz UECDGXWKPUCSBG-HNNXBMFYSA-N 0 0 334.372 2.542 10 5 EFBERN Cc1cc(OC(C)C)ccc1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000603871609 479441927 /nfs/dbraw/zinc/44/19/27/479441927.db2.gz LXAKOLJUWFMNQA-UHFFFAOYSA-N 0 0 330.344 2.928 10 5 EFBERN CN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830417 479442050 /nfs/dbraw/zinc/44/20/50/479442050.db2.gz TXFCDYUQAPWKOA-LLVKDONJSA-N 0 0 330.344 2.786 10 5 EFBERN CC1(C)C[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)O1 ZINC000599829411 479442288 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O=C(NC[C@H]1CCC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830010 479442710 /nfs/dbraw/zinc/44/27/10/479442710.db2.gz OZIIGMSPNVWNRR-NWDGAFQWSA-N 0 0 344.371 2.816 10 5 EFBERN CCC(CC)(CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832265 479443706 /nfs/dbraw/zinc/44/37/06/479443706.db2.gz UHCFPWAZWLSRCW-UHFFFAOYSA-N 0 0 332.360 2.816 10 5 EFBERN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCO1 ZINC000599832789 479444350 /nfs/dbraw/zinc/44/43/50/479444350.db2.gz JUCGUZBCIQHFAR-QWRGUYRKSA-N 0 0 330.344 2.832 10 5 EFBERN C/C=C/C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833636 479444365 /nfs/dbraw/zinc/44/43/65/479444365.db2.gz VZBSQZBOEXQNAS-VUDBWIFFSA-N 0 0 330.344 2.592 10 5 EFBERN C[C@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599833111 479444435 /nfs/dbraw/zinc/44/44/35/479444435.db2.gz PSNJYHQYFHNXMV-INIZCTEOSA-N 0 0 330.344 2.522 10 5 EFBERN C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832528 479444537 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349.387 2.622 10 5 EFBERN COc1ccc(C(=O)NC[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594202402 479630566 /nfs/dbraw/zinc/63/05/66/479630566.db2.gz GXUICKHOYSGSEE-CYBMUJFWSA-N 0 0 334.372 2.825 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2cccc3cnncc32)c1[N+](=O)[O-] ZINC000590335096 479632470 /nfs/dbraw/zinc/63/24/70/479632470.db2.gz BIBPZGROZYXXEQ-UHFFFAOYSA-N 0 0 326.316 2.637 10 5 EFBERN Cc1nc(C(C)C)oc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000590392654 479637691 /nfs/dbraw/zinc/63/76/91/479637691.db2.gz BLNFULYVOBPBFA-UHFFFAOYSA-N 0 0 333.344 2.710 10 5 EFBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2c[nH]nc2C1 ZINC000590390203 479638027 /nfs/dbraw/zinc/63/80/27/479638027.db2.gz NUSNRFQGFAPIQW-UHFFFAOYSA-N 0 0 332.385 2.974 10 5 EFBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000590400570 479639244 /nfs/dbraw/zinc/63/92/44/479639244.db2.gz GOBSZZDAXZHKBO-CYBMUJFWSA-N 0 0 326.356 2.713 10 5 EFBERN Cc1sc(C(=O)N2C[C@H](CO)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000590405439 479641620 /nfs/dbraw/zinc/64/16/20/479641620.db2.gz GBULWSNZBYEENB-LLVKDONJSA-N 0 0 332.381 2.776 10 5 EFBERN CC1(C)Cc2ccccc2N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000590429872 479645606 /nfs/dbraw/zinc/64/56/06/479645606.db2.gz NFTSJJHGUQOIBX-UHFFFAOYSA-N 0 0 328.372 2.797 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@H](C)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000597264470 479650474 /nfs/dbraw/zinc/65/04/74/479650474.db2.gz DRFHLHZGVFNUPS-SNVBAGLBSA-N 0 0 332.312 2.792 10 5 EFBERN COC(=O)c1cc(NC(=O)c2onc3c2CCCC3)cc([N+](=O)[O-])c1 ZINC000597267682 479651569 /nfs/dbraw/zinc/65/15/69/479651569.db2.gz TXNAAJPIFWFMCW-UHFFFAOYSA-N 0 0 345.311 2.501 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](O)C12CCCC2 ZINC000590494377 479654572 /nfs/dbraw/zinc/65/45/72/479654572.db2.gz YQSAWYCHWBPYCH-OAHLLOKOSA-N 0 0 329.356 2.596 10 5 EFBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](O)C12CCCC2 ZINC000590494376 479655105 /nfs/dbraw/zinc/65/51/05/479655105.db2.gz YQSAWYCHWBPYCH-HNNXBMFYSA-N 0 0 329.356 2.596 10 5 EFBERN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]1C(F)(F)F ZINC000590553265 479658729 /nfs/dbraw/zinc/65/87/29/479658729.db2.gz NCEIACYJGLSBDS-LBPRGKRZSA-N 0 0 340.261 2.557 10 5 EFBERN Nc1c(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000590557342 479658852 /nfs/dbraw/zinc/65/88/52/479658852.db2.gz XEKQFLXJEPGWPX-INIZCTEOSA-N 0 0 339.351 2.723 10 5 EFBERN COC(=O)c1cnc(NCc2oc(C(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000590567692 479660524 /nfs/dbraw/zinc/66/05/24/479660524.db2.gz BRYHNXFZMLWICW-UHFFFAOYSA-N 0 0 334.332 2.808 10 5 EFBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCCCCC1 ZINC000590569190 479661404 /nfs/dbraw/zinc/66/14/04/479661404.db2.gz ODPMXWAFHVKKHN-UHFFFAOYSA-N 0 0 341.433 2.664 10 5 EFBERN COC(=O)c1c(Cl)c(NCCCn2cccn2)ccc1[N+](=O)[O-] ZINC000590571676 479661469 /nfs/dbraw/zinc/66/14/69/479661469.db2.gz UTMVFIJHWOEODF-UHFFFAOYSA-N 0 0 338.751 2.734 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCOC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000590583448 479662652 /nfs/dbraw/zinc/66/26/52/479662652.db2.gz XTEIEKUFHBOZEB-GFCCVEGCSA-N 0 0 340.763 2.650 10 5 EFBERN COC(=O)c1c(Cl)c(N2CCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000590583433 479662843 /nfs/dbraw/zinc/66/28/43/479662843.db2.gz XEARBZDWYGJWIF-ZJUUUORDSA-N 0 0 342.779 2.775 10 5 EFBERN COC(=O)c1c(Cl)c(NC[C@@](C)(O)CSC)ccc1[N+](=O)[O-] ZINC000590585840 479663542 /nfs/dbraw/zinc/66/35/42/479663542.db2.gz QDKVMKKLUXYOOD-CYBMUJFWSA-N 0 0 348.808 2.561 10 5 EFBERN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H](c2ccsc2)O1 ZINC000612401340 479665760 /nfs/dbraw/zinc/66/57/60/479665760.db2.gz BRELYWRZWZQLMR-BONVTDFDSA-N 0 0 349.412 2.697 10 5 EFBERN CC(C)(C)[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1O ZINC000612449109 479674202 /nfs/dbraw/zinc/67/42/02/479674202.db2.gz GDASJDFZOKBGSJ-BXUZGUMPSA-N 0 0 330.388 2.771 10 5 EFBERN CC(C)(CNc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1CCCCO1 ZINC000612447725 479674519 /nfs/dbraw/zinc/67/45/19/479674519.db2.gz KFURQIHTJAWVDJ-CQSZACIVSA-N 0 0 330.388 2.967 10 5 EFBERN COc1cc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000612449132 479674787 /nfs/dbraw/zinc/67/47/87/479674787.db2.gz GNOYFLSMGPSFTM-QMTHXVAHSA-N 0 0 326.368 2.976 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000612449257 479674804 /nfs/dbraw/zinc/67/48/04/479674804.db2.gz KGMYTFPDBGAAOT-SWLSCSKDSA-N 0 0 336.388 2.615 10 5 EFBERN COc1cc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000612449133 479674939 /nfs/dbraw/zinc/67/49/39/479674939.db2.gz GNOYFLSMGPSFTM-YGRLFVJLSA-N 0 0 326.368 2.976 10 5 EFBERN O=[N+]([O-])c1ccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)cn1 ZINC000619069290 479680039 /nfs/dbraw/zinc/68/00/39/479680039.db2.gz YRWCKTKEODCTMO-UHFFFAOYSA-N 0 0 337.383 2.793 10 5 EFBERN CC(=O)N[C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000612582027 479700782 /nfs/dbraw/zinc/70/07/82/479700782.db2.gz LNQCTAZGHHZQGT-QGZVFWFLSA-N 0 0 339.395 2.971 10 5 EFBERN Cc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1C(F)(F)F ZINC000619179464 479708354 /nfs/dbraw/zinc/70/83/54/479708354.db2.gz JPJLIUPEDSXJKB-UHFFFAOYSA-N 0 0 328.250 2.757 10 5 EFBERN CN1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1=O ZINC000612634348 479716624 /nfs/dbraw/zinc/71/66/24/479716624.db2.gz NRNDKMXFRRAXNV-UHFFFAOYSA-N 0 0 349.412 2.501 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)c2ccncc2)c1 ZINC000612630316 479716987 /nfs/dbraw/zinc/71/69/87/479716987.db2.gz FLQCZAVHKWJXNJ-LBPRGKRZSA-N 0 0 349.412 2.689 10 5 EFBERN O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000619244554 479728365 /nfs/dbraw/zinc/72/83/65/479728365.db2.gz DDZZBWTXSMVADI-UHFFFAOYSA-N 0 0 341.298 2.505 10 5 EFBERN COc1cc(CCO)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000619251618 479732663 /nfs/dbraw/zinc/73/26/63/479732663.db2.gz GIOOIBIUTMHFLY-UHFFFAOYSA-N 0 0 330.340 2.699 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccncc1C(F)(F)F ZINC000619254690 479733057 /nfs/dbraw/zinc/73/30/57/479733057.db2.gz TULPEULCXPMYOK-UHFFFAOYSA-N 0 0 340.261 2.521 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000619253404 479733113 /nfs/dbraw/zinc/73/31/13/479733113.db2.gz WWLWWLZMQOYBAD-STQMWFEESA-N 0 0 341.770 2.507 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000619253402 479733891 /nfs/dbraw/zinc/73/38/91/479733891.db2.gz WWLWWLZMQOYBAD-OLZOCXBDSA-N 0 0 341.770 2.507 10 5 EFBERN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccncc1 ZINC000615703300 479739092 /nfs/dbraw/zinc/73/90/92/479739092.db2.gz ZKAGDFQQMMOBOD-LLVKDONJSA-N 0 0 335.385 2.609 10 5 EFBERN O=[N+]([O-])c1ccc(N2C[C@H](O)CC(F)(F)C2)cc1C(F)(F)F ZINC000615732409 479746462 /nfs/dbraw/zinc/74/64/62/479746462.db2.gz XOEUXVRCKSXWKL-MRVPVSSYSA-N 0 0 326.221 2.820 10 5 EFBERN Cn1nc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC000612773138 479757277 /nfs/dbraw/zinc/75/72/77/479757277.db2.gz QHFPANXNPXHSDH-UHFFFAOYSA-N 0 0 349.350 2.893 10 5 EFBERN C[C@@H]1Cc2ccccc2N1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612778940 479758848 /nfs/dbraw/zinc/75/88/48/479758848.db2.gz MDPLRWOWVBKTFQ-CYBMUJFWSA-N 0 0 339.399 2.805 10 5 EFBERN COC(=O)c1cc(NC(=O)NC(C)(C)C(F)F)c(C)c([N+](=O)[O-])c1 ZINC000619327799 479759339 /nfs/dbraw/zinc/75/93/39/479759339.db2.gz IRZOTYRIFJBCCF-UHFFFAOYSA-N 0 0 345.302 2.855 10 5 EFBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000615821831 479760808 /nfs/dbraw/zinc/76/08/08/479760808.db2.gz RQGIFOONBXZZDW-ZDUSSCGKSA-N 0 0 330.331 2.584 10 5 EFBERN CC(=O)C(C)(C)CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615872659 479775196 /nfs/dbraw/zinc/77/51/96/479775196.db2.gz SEMUUXDBCOWJPJ-UHFFFAOYSA-N 0 0 334.372 2.580 10 5 EFBERN CCOC(=O)c1cc(C(=O)NC(C)(C)C(F)F)cc([N+](=O)[O-])c1 ZINC000619422240 479784859 /nfs/dbraw/zinc/78/48/59/479784859.db2.gz VTOUSBBFMMXJOY-UHFFFAOYSA-N 0 0 330.287 2.545 10 5 EFBERN COc1ccc(NC(=O)c2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000615911665 479785162 /nfs/dbraw/zinc/78/51/62/479785162.db2.gz JULFXIPAIDVCQM-UHFFFAOYSA-N 0 0 344.249 2.615 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccnn2C)C(C)C)c1 ZINC000615944143 479789083 /nfs/dbraw/zinc/78/90/83/479789083.db2.gz QBJCNYVGNSVYDU-CYBMUJFWSA-N 0 0 346.387 2.967 10 5 EFBERN CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000619434238 479789185 /nfs/dbraw/zinc/78/91/85/479789185.db2.gz OFAGMVFWQQXHDA-GJYIYSHKSA-N 0 0 332.400 2.878 10 5 EFBERN COc1c(C(=O)N2CCC[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000619438537 479790021 /nfs/dbraw/zinc/79/00/21/479790021.db2.gz RPBSYHSBMMZISS-KRWDZBQOSA-N 0 0 334.372 2.636 10 5 EFBERN C/C(=C/c1nc(Cc2cnn(C)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000612912108 479797863 /nfs/dbraw/zinc/79/78/63/479797863.db2.gz LBVQDTUXPVUJRM-XFFZJAGNSA-N 0 0 325.328 2.863 10 5 EFBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000619497992 479812596 /nfs/dbraw/zinc/81/25/96/479812596.db2.gz ASPKJNAHPVPOEJ-CYBMUJFWSA-N 0 0 332.408 2.866 10 5 EFBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000619499154 479812699 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Cc1c(CNC(=O)NC[C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000616250550 479862807 /nfs/dbraw/zinc/86/28/07/479862807.db2.gz OPPYLVOAMRXXMW-LBPRGKRZSA-N 0 0 328.372 2.901 10 5 EFBERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609510936 480167162 /nfs/dbraw/zinc/16/71/62/480167162.db2.gz UAKILKHLLRDDRW-DYZYQPBXSA-N 0 0 340.335 2.987 10 5 EFBERN CCOc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1OCC ZINC000617363784 480186404 /nfs/dbraw/zinc/18/64/04/480186404.db2.gz MFFCAHRBWQEEAU-UHFFFAOYSA-N 0 0 348.359 2.861 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@@H](c3ccccc3)C2)n1 ZINC000617377931 480195818 /nfs/dbraw/zinc/19/58/18/480195818.db2.gz QKNMBSNGANZRNV-CQSZACIVSA-N 0 0 346.412 2.742 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000617384352 480197038 /nfs/dbraw/zinc/19/70/38/480197038.db2.gz GRJLVUPPQGGGJG-IUCAKERBSA-N 0 0 334.298 2.614 10 5 EFBERN CC[C@@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000609982225 480223855 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334.303 2.929 10 5 EFBERN CC(C)Cn1ccnc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000131233083 519522811 /nfs/dbraw/zinc/52/28/11/519522811.db2.gz DAGNEAIFUSXEID-UHFFFAOYSA-N 0 0 345.403 2.566 10 5 EFBERN CC(=O)Nc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000076711112 519703163 /nfs/dbraw/zinc/70/31/63/519703163.db2.gz IEFHKTNWPXCVAZ-UHFFFAOYSA-N 0 0 331.303 2.969 10 5 EFBERN CC(C)NC(=O)c1ccc(NCCC2=CCOCC2)c([N+](=O)[O-])c1 ZINC000158056808 519717729 /nfs/dbraw/zinc/71/77/29/519717729.db2.gz BTLRBXCCISRQJL-UHFFFAOYSA-N 0 0 333.388 2.882 10 5 EFBERN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000045076014 519747737 /nfs/dbraw/zinc/74/77/37/519747737.db2.gz KGKJBRSFCBVNNR-JTQLQIEISA-N 0 0 342.355 2.748 10 5 EFBERN CCC1CCC(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000183055051 519854495 /nfs/dbraw/zinc/85/44/95/519854495.db2.gz CSICRBJMJXPQST-UHFFFAOYSA-N 0 0 347.415 2.718 10 5 EFBERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)C12CCC2 ZINC000132966385 520538230 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COCCOc1ncccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000102730632 521758415 /nfs/dbraw/zinc/75/84/15/521758415.db2.gz NOFUTVOUDPWPHV-UHFFFAOYSA-N 0 0 337.357 2.637 10 5 EFBERN O=C(NC[C@@H]1CCC[C@H]1O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160400739 534593195 /nfs/dbraw/zinc/59/31/95/534593195.db2.gz GBEYTRUDXMTRPU-QPUJVOFHSA-N 0 0 347.293 2.896 10 5 EFBERN COC(=O)c1cc2cc(Cn3cc([N+](=O)[O-])cc(C)c3=O)ccc2o1 ZINC000178227865 521917689 /nfs/dbraw/zinc/91/76/89/521917689.db2.gz VZWFYNBIESATCI-UHFFFAOYSA-N 0 0 342.307 2.646 10 5 EFBERN CCc1cnc(CCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000081204700 522008907 /nfs/dbraw/zinc/00/89/07/522008907.db2.gz ZGPBTEXGBBPUCO-UHFFFAOYSA-N 0 0 335.385 2.595 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000185536583 522307225 /nfs/dbraw/zinc/30/72/25/522307225.db2.gz RJFOTCQXIYUHHM-CYBMUJFWSA-N 0 0 343.387 2.658 10 5 EFBERN CN(C)c1noc([C@@H]2CCCN(c3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000193514664 522397918 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Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000074630835 525427878 /nfs/dbraw/zinc/42/78/78/525427878.db2.gz XAWZFXIQSBGSLI-UHFFFAOYSA-N 0 0 348.380 2.867 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152391790 525458987 /nfs/dbraw/zinc/45/89/87/525458987.db2.gz PTGVWNRSNRPEKB-MRXNPFEDSA-N 0 0 329.356 2.652 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1CC(C)C ZINC000131017407 525472957 /nfs/dbraw/zinc/47/29/57/525472957.db2.gz NEVOPCOIVSZQSI-LBPRGKRZSA-N 0 0 342.417 2.803 10 5 EFBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000191356647 525554699 /nfs/dbraw/zinc/55/46/99/525554699.db2.gz PIAQYYKUSZHSHA-DOTOQJQBSA-N 0 0 341.367 2.991 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000155279980 525562500 /nfs/dbraw/zinc/56/25/00/525562500.db2.gz FAPXUYBMCVSHCT-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000151261173 525563328 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Cc1cnc(-c2cccc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)c2)o1 ZINC000066809035 525958392 /nfs/dbraw/zinc/95/83/92/525958392.db2.gz DDWDPXISPWAMKF-UHFFFAOYSA-N 0 0 341.327 2.702 10 5 EFBERN COc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000119987835 525992754 /nfs/dbraw/zinc/99/27/54/525992754.db2.gz URWUOOJEDJDCSN-UHFFFAOYSA-N 0 0 330.344 2.937 10 5 EFBERN CSc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000074997420 526004405 /nfs/dbraw/zinc/00/44/05/526004405.db2.gz ZQMWXMLTECJKBO-UHFFFAOYSA-N 0 0 338.410 2.795 10 5 EFBERN CSc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000057022237 526005613 /nfs/dbraw/zinc/00/56/13/526005613.db2.gz JKFILRVMNYWNTR-UHFFFAOYSA-N 0 0 338.410 2.795 10 5 EFBERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151656263 526026462 /nfs/dbraw/zinc/02/64/62/526026462.db2.gz YAZGSTZBIQMKDX-SCLBCKFNSA-N 0 0 340.379 2.988 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000085620616 526057095 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CC(C)Oc1cc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412216489 534946660 /nfs/dbraw/zinc/94/66/60/534946660.db2.gz ODSKDFXRVMLEAX-BETUJISGSA-N 0 0 335.404 2.547 10 5 EFBERN CC(=O)c1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)s1 ZINC000414878387 534951943 /nfs/dbraw/zinc/95/19/43/534951943.db2.gz ZNVLXBFCQGWYEP-MRVPVSSYSA-N 0 0 331.353 2.845 10 5 EFBERN CO[C@H](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000412274830 536551629 /nfs/dbraw/zinc/55/16/29/536551629.db2.gz CUORWOBCWXWMAW-YNEHKIRRSA-N 0 0 346.305 2.782 10 5 EFBERN CC1(C)SC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338476818 535010759 /nfs/dbraw/zinc/01/07/59/535010759.db2.gz QWYSZYUHFJARGB-LBPRGKRZSA-N 0 0 343.836 2.984 10 5 EFBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)c1ccnn1C ZINC000421446231 535093652 /nfs/dbraw/zinc/09/36/52/535093652.db2.gz QEYQQBVAPOTFGA-CYBMUJFWSA-N 0 0 330.388 2.869 10 5 EFBERN CCCNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000040596716 535206431 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EFBERN COC[C@H](C)[C@H](C)C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000813087941 1285664700 /nfs/dbraw/zinc/66/47/00/1285664700.db2.gz FEDSJFROLAJZLC-HEHGZKQESA-N 0 0 336.388 2.635 10 5 EFBERN COC[C@@H](C)[C@@H](C)C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000813087942 1285665282 /nfs/dbraw/zinc/66/52/82/1285665282.db2.gz FEDSJFROLAJZLC-IOASZLSFSA-N 0 0 336.388 2.635 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001133617421 1285669380 /nfs/dbraw/zinc/66/93/80/1285669380.db2.gz QHGIHWIQPFYXNX-UHFFFAOYSA-N 0 0 347.277 2.820 10 5 EFBERN C[C@H](COC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813105232 1285676484 /nfs/dbraw/zinc/67/64/84/1285676484.db2.gz KXHOSCSBYPVNJP-DVVUODLYSA-N 0 0 333.262 2.897 10 5 EFBERN COc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])c(OCCC(C)C)c1 ZINC000813106503 1285676776 /nfs/dbraw/zinc/67/67/76/1285676776.db2.gz DHURYRPMOGXMHA-LBPRGKRZSA-N 0 0 325.361 2.942 10 5 EFBERN C[C@@H](COC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)[N+](=O)[O-] ZINC000813110912 1285682402 /nfs/dbraw/zinc/68/24/02/1285682402.db2.gz LUOFWENOACFKSC-LBPRGKRZSA-N 0 0 336.388 2.627 10 5 EFBERN C[C@H](COC(=O)C1(c2ccccc2Cl)CCOCC1)[N+](=O)[O-] ZINC000813110885 1285682762 /nfs/dbraw/zinc/68/27/62/1285682762.db2.gz LLWXMVJMMQGZMV-LLVKDONJSA-N 0 0 327.764 2.597 10 5 EFBERN CCCc1c(C(=O)OC[C@@H](C)[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000813111841 1285682830 /nfs/dbraw/zinc/68/28/30/1285682830.db2.gz ATSXWSDBXINHDZ-CYBMUJFWSA-N 0 0 331.372 2.955 10 5 EFBERN CCCc1c(C(=O)OC[C@@H](C)[N+](=O)[O-])cnn1-c1cccc(F)c1 ZINC000813111595 1285684371 /nfs/dbraw/zinc/68/43/71/1285684371.db2.gz VLJBNTQHGKLFGC-LLVKDONJSA-N 0 0 335.335 2.786 10 5 EFBERN C[C@H](COC(=O)CCSc1nc2ccccc2s1)[N+](=O)[O-] ZINC000813115563 1285685005 /nfs/dbraw/zinc/68/50/05/1285685005.db2.gz VKKKAIUQHXVBMN-SECBINFHSA-N 0 0 326.399 2.987 10 5 EFBERN C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1C ZINC001171658662 1285699306 /nfs/dbraw/zinc/69/93/06/1285699306.db2.gz JVCSFVHSRBCFKO-CIUDSAMLSA-N 0 0 346.214 2.999 10 5 EFBERN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001171658664 1285699767 /nfs/dbraw/zinc/69/97/67/1285699767.db2.gz JVCSFVHSRBCFKO-DJLDLDEBSA-N 0 0 346.214 2.999 10 5 EFBERN CCCSCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170893 1285702743 /nfs/dbraw/zinc/70/27/43/1285702743.db2.gz AIXUAIFKUFCENH-HNNXBMFYSA-N 0 0 338.429 2.856 10 5 EFBERN CC[C@H]1CC[C@@H](C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000813173890 1285703948 /nfs/dbraw/zinc/70/39/48/1285703948.db2.gz LXPULRQPRRKYED-ULQDDVLXSA-N 0 0 348.399 2.670 10 5 EFBERN CC[C@](C)(OC)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174462 1285705351 /nfs/dbraw/zinc/70/53/51/1285705351.db2.gz UBHNZZSYCDWFHT-RDJZCZTQSA-N 0 0 336.388 2.527 10 5 EFBERN Cc1c(C(=O)NC[C@@H]2CC3(CCC3)CO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001133638262 1285711885 /nfs/dbraw/zinc/71/18/85/1285711885.db2.gz VUHKSRUCMVILPZ-LBPRGKRZSA-N 0 0 349.343 2.500 10 5 EFBERN CNc1ccc(C(=O)NCc2noc3ccc(F)cc23)cc1[N+](=O)[O-] ZINC001171914768 1285901727 /nfs/dbraw/zinc/90/17/27/1285901727.db2.gz KDMHRHOFMKTDRM-UHFFFAOYSA-N 0 0 344.302 2.847 10 5 EFBERN O=C(C[C@@H](O)Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000813477121 1285940570 /nfs/dbraw/zinc/94/05/70/1285940570.db2.gz GHJOHVASOOELFP-HNNXBMFYSA-N 0 0 348.786 2.858 10 5 EFBERN C[C@@](O)(CNc1c2ccccc2ncc1[N+](=O)[O-])c1ccsc1 ZINC000813595947 1286007461 /nfs/dbraw/zinc/00/74/61/1286007461.db2.gz MNYQYIBWSVJYRX-MRXNPFEDSA-N 0 0 329.381 2.946 10 5 EFBERN C[S@@](=O)(=NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001133995816 1286216560 /nfs/dbraw/zinc/21/65/60/1286216560.db2.gz NITXWIYVBSYSCP-QHCPKHFHSA-N 0 0 334.353 2.657 10 5 EFBERN Cc1cc(CCC(=O)O[C@H](C)C[N+](=O)[O-])ccc1Br ZINC000814036924 1286240026 /nfs/dbraw/zinc/24/00/26/1286240026.db2.gz NFLFIGRVQVUJAO-SNVBAGLBSA-N 0 0 330.178 2.899 10 5 EFBERN Cc1cc(CCC(=O)O[C@@H](C)C[N+](=O)[O-])ccc1Br ZINC000814036923 1286240760 /nfs/dbraw/zinc/24/07/60/1286240760.db2.gz NFLFIGRVQVUJAO-JTQLQIEISA-N 0 0 330.178 2.899 10 5 EFBERN COC(=O)[C@H](CCSC)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000814026898 1286246668 /nfs/dbraw/zinc/24/66/68/1286246668.db2.gz BTZOARYEGVISNW-GWCFXTLKSA-N 0 0 341.385 2.536 10 5 EFBERN COCCSCCOC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000814008992 1286258219 /nfs/dbraw/zinc/25/82/19/1286258219.db2.gz VBGCASDMFZWLOZ-VAWYXSNFSA-N 0 0 325.386 2.921 10 5 EFBERN COCCSCCOC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000814009510 1286258542 /nfs/dbraw/zinc/25/85/42/1286258542.db2.gz ZUHJAVUCZFBNCM-UHFFFAOYSA-N 0 0 331.415 2.853 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000814040601 1286272025 /nfs/dbraw/zinc/27/20/25/1286272025.db2.gz HXAMVQRHVSIYHZ-MIMYLULJSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000814040600 1286272242 /nfs/dbraw/zinc/27/22/42/1286272242.db2.gz HXAMVQRHVSIYHZ-IEBDPFPHSA-N 0 0 333.262 2.897 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)CCSc1nc2ccccc2s1 ZINC000814042074 1286273005 /nfs/dbraw/zinc/27/30/05/1286273005.db2.gz YGFOVAQJKXDVAY-VIFPVBQESA-N 0 0 326.399 2.987 10 5 EFBERN CCCc1c(C(=O)O[C@@H](C)C[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000814042084 1286273050 /nfs/dbraw/zinc/27/30/50/1286273050.db2.gz YLVZCTQKDOCCHB-ZDUSSCGKSA-N 0 0 331.372 2.706 10 5 EFBERN C[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)c1ccccc1Br ZINC000814042479 1286273082 /nfs/dbraw/zinc/27/30/82/1286273082.db2.gz LKHRPKBEZAEXNO-SECBINFHSA-N 0 0 330.178 2.935 10 5 EFBERN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])CC1=O ZINC000814042361 1286273285 /nfs/dbraw/zinc/27/32/85/1286273285.db2.gz IUYZEXONHDDCEI-BFHYXJOUSA-N 0 0 348.399 2.761 10 5 EFBERN C[C@@H](C[N+](=O)[O-])OC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000814045784 1286273966 /nfs/dbraw/zinc/27/39/66/1286273966.db2.gz ZHIHKSFNYMEBNU-ZETCQYMHSA-N 0 0 336.569 2.853 10 5 EFBERN CCc1nc(C)c(COC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)o1 ZINC000814069313 1286287874 /nfs/dbraw/zinc/28/78/74/1286287874.db2.gz BIWWSBFPPSRCJK-UHFFFAOYSA-N 0 0 348.311 2.597 10 5 EFBERN COC[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(C)C ZINC001134067607 1286295073 /nfs/dbraw/zinc/29/50/73/1286295073.db2.gz TYHRTOKCHSLVOV-ZDUSSCGKSA-N 0 0 345.399 2.979 10 5 EFBERN COC(=O)c1cccc2c1CCN2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001134126033 1286371704 /nfs/dbraw/zinc/37/17/04/1286371704.db2.gz WDDQNIXPXBUJOQ-UHFFFAOYSA-N 0 0 326.308 2.584 10 5 EFBERN COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@H](O)Cc2ccccc2)c1 ZINC000814262917 1286448957 /nfs/dbraw/zinc/44/89/57/1286448957.db2.gz ZCLBUSYBBRIYTP-ZDUSSCGKSA-N 0 0 334.347 2.782 10 5 EFBERN COc1ccncc1CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000814328124 1286507805 /nfs/dbraw/zinc/50/78/05/1286507805.db2.gz XIJGSYBDUKVVMH-XFXZXTDPSA-N 0 0 327.340 2.718 10 5 EFBERN C[C@H](CNC(=O)C(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001134274601 1286518614 /nfs/dbraw/zinc/51/86/14/1286518614.db2.gz LLEYTCQLGXLMLT-LLVKDONJSA-N 0 0 330.315 2.837 10 5 EFBERN CCc1onc(C)c1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001134296973 1286526474 /nfs/dbraw/zinc/52/64/74/1286526474.db2.gz WNYNPXJVBYSIEX-UHFFFAOYSA-N 0 0 340.339 2.932 10 5 EFBERN CCC[C@@H](C)C(=O)NCCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000814346542 1286529257 /nfs/dbraw/zinc/52/92/57/1286529257.db2.gz BTWXXHYNQWMALN-NXXVSJRMSA-N 0 0 347.415 2.667 10 5 EFBERN CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)nc1 ZINC001134358411 1286590547 /nfs/dbraw/zinc/59/05/47/1286590547.db2.gz YQLBDBBBRORCOC-UHFFFAOYSA-N 0 0 342.355 2.639 10 5 EFBERN CCOC(=O)c1cn(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC001134399576 1286653108 /nfs/dbraw/zinc/65/31/08/1286653108.db2.gz HRZDCXJXHHMWRC-UHFFFAOYSA-N 0 0 331.328 2.671 10 5 EFBERN Cn1cc(CC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c(Cl)n1 ZINC000814579537 1286773340 /nfs/dbraw/zinc/77/33/40/1286773340.db2.gz KHKYLRTYSHPIAE-UHFFFAOYSA-N 0 0 344.154 2.921 10 5 EFBERN CO[C@]12CCC[C@@]1(C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000822757053 1289099994 /nfs/dbraw/zinc/09/99/94/1289099994.db2.gz NJCXYGDNLKJUCJ-ROUUACIJSA-N 0 0 348.399 2.529 10 5 EFBERN CCc1noc([C@H]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001134505679 1286801766 /nfs/dbraw/zinc/80/17/66/1286801766.db2.gz OIIJDRGQPWENQT-QWHCGFSZSA-N 0 0 344.371 2.535 10 5 EFBERN CCc1ccc(C(=O)N2CCN(CC(C)(F)F)CC2)cc1[N+](=O)[O-] ZINC001179274432 1289102881 /nfs/dbraw/zinc/10/28/81/1289102881.db2.gz MHPWGBHOSHULDL-UHFFFAOYSA-N 0 0 341.358 2.570 10 5 EFBERN Cn1cc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001134545192 1286857368 /nfs/dbraw/zinc/85/73/68/1286857368.db2.gz PFDMZSFSSJXKDD-HUUCEWRRSA-N 0 0 327.384 2.932 10 5 EFBERN Cc1c[nH]c(=O)c(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001134556462 1286911292 /nfs/dbraw/zinc/91/12/92/1286911292.db2.gz UTXWPZHUJPJJBU-UHFFFAOYSA-N 0 0 349.774 2.906 10 5 EFBERN O=C(N[C@@H](c1ccncc1)C1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001134646863 1287009470 /nfs/dbraw/zinc/00/94/70/1287009470.db2.gz XOPDGPPRPPBETP-OAHLLOKOSA-N 0 0 337.339 2.747 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCOC23CCCC3)cc1[N+](=O)[O-] ZINC001134693945 1287063905 /nfs/dbraw/zinc/06/39/05/1287063905.db2.gz KHNPXXCCGIWPGA-AWEZNQCLSA-N 0 0 349.343 2.643 10 5 EFBERN C[C@]1(C(F)(F)F)CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000871437708 1287068689 /nfs/dbraw/zinc/06/86/89/1287068689.db2.gz LZKQKDKRXVOQPT-GFCCVEGCSA-N 0 0 336.241 2.527 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 ZINC000871444290 1287075507 /nfs/dbraw/zinc/07/55/07/1287075507.db2.gz BZODZQUYPHLADB-CYBMUJFWSA-N 0 0 332.278 2.697 10 5 EFBERN Cc1sc(C(=O)N2CCO[C@@](C)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000871445650 1287077208 /nfs/dbraw/zinc/07/72/08/1287077208.db2.gz VOINPBJYROAIJE-LLVKDONJSA-N 0 0 338.307 2.758 10 5 EFBERN Cc1cc(C(=O)N2CCO[C@@](C)(C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000871446987 1287077588 /nfs/dbraw/zinc/07/75/88/1287077588.db2.gz QEXGGKAZUFQVHL-CYBMUJFWSA-N 0 0 332.278 2.697 10 5 EFBERN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000871471424 1287094087 /nfs/dbraw/zinc/09/40/87/1287094087.db2.gz MKVDBKVHPXNHTO-SNVBAGLBSA-N 0 0 326.374 2.674 10 5 EFBERN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000871476884 1287098383 /nfs/dbraw/zinc/09/83/83/1287098383.db2.gz JLDGDCNGNSGZHL-LBPRGKRZSA-N 0 0 338.335 2.752 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000871539443 1287133900 /nfs/dbraw/zinc/13/39/00/1287133900.db2.gz LDINIMAOPCUMHV-TXEJJXNPSA-N 0 0 334.372 2.753 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC[S@](=O)Cc1ccsc1Cl ZINC000871607678 1287169452 /nfs/dbraw/zinc/16/94/52/1287169452.db2.gz CAWZIDMNWFFFEJ-FQEVSTJZSA-N 0 0 333.822 2.764 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])ccc2C(C)=O)[C@H]1n1cccn1 ZINC000814963973 1287190738 /nfs/dbraw/zinc/19/07/38/1287190738.db2.gz LCLLPJJEOACRKO-GVDBMIGSSA-N 0 0 344.371 2.825 10 5 EFBERN CCO[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000814966760 1287191972 /nfs/dbraw/zinc/19/19/72/1287191972.db2.gz YFZBBSHPEQTCRR-ZBINZKHDSA-N 0 0 347.331 2.530 10 5 EFBERN Cc1ncncc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001134775146 1287194761 /nfs/dbraw/zinc/19/47/61/1287194761.db2.gz CYIWUYGYVDQUJK-UHFFFAOYSA-N 0 0 327.344 2.546 10 5 EFBERN CC(C)c1ccc2c(c1)CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])C2 ZINC001135306228 1287921159 /nfs/dbraw/zinc/92/11/59/1287921159.db2.gz SJJIDYKFQVEGRH-UHFFFAOYSA-N 0 0 328.372 2.650 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc(F)ccc2N(C)C)n1 ZINC001135323980 1287932755 /nfs/dbraw/zinc/93/27/55/1287932755.db2.gz JSLPTWJILYSNLM-JTQLQIEISA-N 0 0 349.366 2.507 10 5 EFBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC001165728418 1312671143 /nfs/dbraw/zinc/67/11/43/1312671143.db2.gz LCGPRLUNIQSGMO-UHFFFAOYSA-N 0 0 327.123 2.946 10 5 EFBERN COc1ccc(C2CC2)cc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC001176390487 1287958944 /nfs/dbraw/zinc/95/89/44/1287958944.db2.gz RHDWYYQUHJEPFB-UHFFFAOYSA-N 0 0 341.367 2.993 10 5 EFBERN CO[C@@H]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000816031364 1287963048 /nfs/dbraw/zinc/96/30/48/1287963048.db2.gz VODWOWPPBJAWFP-BRWVUGGUSA-N 0 0 348.399 2.922 10 5 EFBERN Cc1noc([C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC001135359638 1287974565 /nfs/dbraw/zinc/97/45/65/1287974565.db2.gz JVDXPUJIKQLKGX-QMTHXVAHSA-N 0 0 332.360 2.903 10 5 EFBERN Cc1csc(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC001135406892 1288002525 /nfs/dbraw/zinc/00/25/25/1288002525.db2.gz ZZPBYPUISGMZQP-UHFFFAOYSA-N 0 0 325.777 2.986 10 5 EFBERN CCOC(=O)c1cc(C(=O)OCCCc2cnoc2)cc([N+](=O)[O-])c1 ZINC000816228676 1288027954 /nfs/dbraw/zinc/02/79/54/1288027954.db2.gz SKGVCBIDABBQOB-UHFFFAOYSA-N 0 0 348.311 2.549 10 5 EFBERN CO[C@@H](COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000816376874 1288095953 /nfs/dbraw/zinc/09/59/53/1288095953.db2.gz HVTFGDNLYNKQME-LBPRGKRZSA-N 0 0 331.271 2.778 10 5 EFBERN Cc1nn(CCC(=O)OC[C@H]2CCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000816392184 1288106295 /nfs/dbraw/zinc/10/62/95/1288106295.db2.gz VPMHLIZNWYRWNQ-LLVKDONJSA-N 0 0 331.319 2.777 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@H]1CCCO1 ZINC001176927561 1288176778 /nfs/dbraw/zinc/17/67/78/1288176778.db2.gz SVLHFSMTXPKWFE-DLBZAZTESA-N 0 0 347.415 2.875 10 5 EFBERN O=C(N[C@@H]1CCSc2ccccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001135616031 1288185790 /nfs/dbraw/zinc/18/57/90/1288185790.db2.gz SDEOTXZEMYBSLJ-ZBFHGGJFSA-N 0 0 344.392 2.982 10 5 EFBERN Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001176913954 1288189071 /nfs/dbraw/zinc/18/90/71/1288189071.db2.gz BRUAAZJRGJSERM-JOCQHMNTSA-N 0 0 334.372 2.753 10 5 EFBERN CN(C[C@H]1COc2ccccc2O1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001135633611 1288211999 /nfs/dbraw/zinc/21/19/99/1288211999.db2.gz BSJQXHMFCVEBSL-NSHDSACASA-N 0 0 346.314 2.646 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2)c1N ZINC001135680110 1288252309 /nfs/dbraw/zinc/25/23/09/1288252309.db2.gz XBSQAMABRUTLCI-UHFFFAOYSA-N 0 0 337.339 2.923 10 5 EFBERN CC[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC001177244575 1288346066 /nfs/dbraw/zinc/34/60/66/1288346066.db2.gz QQSXBXTYLNKDPW-GOEBONIOSA-N 0 0 332.331 2.976 10 5 EFBERN Cc1cc(C(=O)N2CC(F)(c3ccccc3F)C2)c(N)c([N+](=O)[O-])c1 ZINC000816939402 1288347438 /nfs/dbraw/zinc/34/74/38/1288347438.db2.gz BYSTYMSREGNZMJ-UHFFFAOYSA-N 0 0 347.321 2.945 10 5 EFBERN Nc1ccc(C(=O)N2CC(F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000816941967 1288349814 /nfs/dbraw/zinc/34/98/14/1288349814.db2.gz YSOIDRBCQLIBFK-UHFFFAOYSA-N 0 0 333.294 2.637 10 5 EFBERN C/C(=C/C(=O)N(C)Cc1nncn1C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000817063105 1288396582 /nfs/dbraw/zinc/39/65/82/1288396582.db2.gz LHINGPGKCLDROY-LCYFTJDESA-N 0 0 343.387 2.829 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001177399280 1288419595 /nfs/dbraw/zinc/41/95/95/1288419595.db2.gz RTEWKVFZKCPIHE-DOMZBBRYSA-N 0 0 338.791 2.818 10 5 EFBERN Cc1ccc(NCC2(CC(N)=O)CC2)c([N+](=O)[O-])c1Br ZINC000817124076 1288426551 /nfs/dbraw/zinc/42/65/51/1288426551.db2.gz OWVUJBOGVFVWCQ-UHFFFAOYSA-N 0 0 342.193 2.733 10 5 EFBERN CC[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CCO1 ZINC000817125536 1288428464 /nfs/dbraw/zinc/42/84/64/1288428464.db2.gz MKUZCQUJTAGYNO-VXGBXAGGSA-N 0 0 339.348 2.673 10 5 EFBERN COc1ccnc(OC)c1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001177503218 1288453422 /nfs/dbraw/zinc/45/34/22/1288453422.db2.gz JOBIGVWLKBRVRA-UHFFFAOYSA-N 0 0 342.311 2.741 10 5 EFBERN O=C(COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000817202928 1288469047 /nfs/dbraw/zinc/46/90/47/1288469047.db2.gz AJSRWHNHLLOPII-AXFHLTTASA-N 0 0 336.319 2.652 10 5 EFBERN O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817202765 1288469177 /nfs/dbraw/zinc/46/91/77/1288469177.db2.gz RGGRCNBVAVRAHK-RSUWNVLCSA-N 0 0 344.367 2.680 10 5 EFBERN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817206197 1288470434 /nfs/dbraw/zinc/47/04/34/1288470434.db2.gz UABIIFIQBKQTQE-JHJVBQTASA-N 0 0 332.356 2.821 10 5 EFBERN C[C@H](OC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000817207343 1288472336 /nfs/dbraw/zinc/47/23/36/1288472336.db2.gz ZNVVQZPABNMODZ-RVMXOQNASA-N 0 0 332.356 2.901 10 5 EFBERN O=C(CC[C@@H]1CCOC1)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778792955 1297720946 /nfs/dbraw/zinc/72/09/46/1297720946.db2.gz SCPSKJCKKGPFJT-CZUORRHYSA-N 0 0 334.372 2.533 10 5 EFBERN COc1cc(COC(=O)c2nn(C)c(C)c2Cl)ccc1[N+](=O)[O-] ZINC000817259451 1288497579 /nfs/dbraw/zinc/49/75/79/1288497579.db2.gz PKGRLLARVVCTKC-UHFFFAOYSA-N 0 0 339.735 2.656 10 5 EFBERN CCOc1cc(COC(=O)[C@@H](C)c2ccnn2C)ccc1[N+](=O)[O-] ZINC000817264450 1288512635 /nfs/dbraw/zinc/51/26/35/1288512635.db2.gz UXFGHJISONEECE-NSHDSACASA-N 0 0 333.344 2.574 10 5 EFBERN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001177805452 1288552953 /nfs/dbraw/zinc/55/29/53/1288552953.db2.gz BQBAVROAPIWJBO-UHFFFAOYSA-N 0 0 346.734 2.624 10 5 EFBERN O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H](OC1CCCC1)c1ccccc1 ZINC001177805971 1288553935 /nfs/dbraw/zinc/55/39/35/1288553935.db2.gz IOMYWHYOUGPFPF-OAHLLOKOSA-N 0 0 330.344 2.957 10 5 EFBERN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1nccn1C ZINC000852198799 1299593567 /nfs/dbraw/zinc/59/35/67/1299593567.db2.gz ADVHJVNECZRNJX-SECBINFHSA-N 0 0 337.767 2.542 10 5 EFBERN COCCN(CCF)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000852482726 1299719830 /nfs/dbraw/zinc/71/98/30/1299719830.db2.gz MBVQDAKZWRPAFW-NSHDSACASA-N 0 0 338.339 2.624 10 5 EFBERN CC(C)COCCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001135953883 1288669832 /nfs/dbraw/zinc/66/98/32/1288669832.db2.gz FDFLROUSIFVYKA-UHFFFAOYSA-N 0 0 328.796 2.970 10 5 EFBERN Cc1cc(C(=O)NC[C@@H]2CC23CCSCC3)c(N)c([N+](=O)[O-])c1 ZINC000817621637 1288684742 /nfs/dbraw/zinc/68/47/42/1288684742.db2.gz YQTKNZXNRCSEIA-NSHDSACASA-N 0 0 335.429 2.749 10 5 EFBERN CC(C)(C)n1cccc(C(=O)OCc2csc([N+](=O)[O-])c2)c1=O ZINC000869976962 1305068914 /nfs/dbraw/zinc/06/89/14/1305068914.db2.gz BHSUGOSAIXWVGP-UHFFFAOYSA-N 0 0 336.369 2.930 10 5 EFBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)c1cccc(F)c1 ZINC001178261121 1288733651 /nfs/dbraw/zinc/73/36/51/1288733651.db2.gz RPNMDFHAGKPKHD-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN CSc1cccc(C(=O)N2CCC(c3ncon3)CC2)c1[N+](=O)[O-] ZINC001178358982 1288764107 /nfs/dbraw/zinc/76/41/07/1288764107.db2.gz XLRQQCLHNSKUMI-UHFFFAOYSA-N 0 0 348.384 2.720 10 5 EFBERN Cc1nc(C)c(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001178441843 1288771117 /nfs/dbraw/zinc/77/11/17/1288771117.db2.gz XPOWAJGRRIUAKH-JTQLQIEISA-N 0 0 334.401 2.732 10 5 EFBERN CC(C)c1n[nH]c(C(=O)NCC[C@@H]2CCC3(CCC3)O2)c1[N+](=O)[O-] ZINC001178610147 1288836356 /nfs/dbraw/zinc/83/63/56/1288836356.db2.gz QPORCLJFXLALDI-NSHDSACASA-N 0 0 336.392 2.663 10 5 EFBERN O=C(Nc1cnn(Cc2ccccn2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001136550919 1288899643 /nfs/dbraw/zinc/89/96/43/1288899643.db2.gz GGAOTJBMPLNSPA-UHFFFAOYSA-N 0 0 341.302 2.626 10 5 EFBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001165785167 1312680942 /nfs/dbraw/zinc/68/09/42/1312680942.db2.gz LKIWDPPYSBLOOZ-JKSUJKDBSA-N 0 0 330.315 2.741 10 5 EFBERN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001165785165 1312681237 /nfs/dbraw/zinc/68/12/37/1312681237.db2.gz LKIWDPPYSBLOOZ-HZPDHXFCSA-N 0 0 330.315 2.741 10 5 EFBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](c2ncccn2)C1 ZINC001178848669 1288940784 /nfs/dbraw/zinc/94/07/84/1288940784.db2.gz AAHQGMQEQKFTFZ-GFCCVEGCSA-N 0 0 346.774 2.597 10 5 EFBERN COC(=O)C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)(C)C ZINC001178984614 1289012347 /nfs/dbraw/zinc/01/23/47/1289012347.db2.gz CNQIBFMQRQKASO-ZDUSSCGKSA-N 0 0 347.371 2.784 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC2(CCC2)O1 ZINC001179551432 1289186446 /nfs/dbraw/zinc/18/64/46/1289186446.db2.gz FMEFREOZACBNSY-SNVBAGLBSA-N 0 0 337.351 2.538 10 5 EFBERN CCNc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC001179712497 1289241186 /nfs/dbraw/zinc/24/11/86/1289241186.db2.gz XDBFOMBKWJIZME-UHFFFAOYSA-N 0 0 330.344 2.829 10 5 EFBERN O=C(NCC(O)(C1CC1)C1CC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823254668 1289250516 /nfs/dbraw/zinc/25/05/16/1289250516.db2.gz ZPDPVVCNAZYIHQ-UHFFFAOYSA-N 0 0 339.779 2.921 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000823254647 1289250703 /nfs/dbraw/zinc/25/07/03/1289250703.db2.gz ZDODXHUFZXAVFS-OUAUKWLOSA-N 0 0 339.779 2.873 10 5 EFBERN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001179875019 1289301246 /nfs/dbraw/zinc/30/12/46/1289301246.db2.gz KZHRJGXGPOSTPM-VIFPVBQESA-N 0 0 331.376 2.578 10 5 EFBERN Cc1ccc(NC(=O)c2cccc(C[S@@](C)=O)c2)c(N)c1[N+](=O)[O-] ZINC001179875065 1289301677 /nfs/dbraw/zinc/30/16/77/1289301677.db2.gz MXJPWMSQAPPFFO-XMMPIXPASA-N 0 0 347.396 2.616 10 5 EFBERN Cc1ccc(NC(=O)c2ncnc3ccsc32)c(N)c1[N+](=O)[O-] ZINC001179880071 1289304758 /nfs/dbraw/zinc/30/47/58/1289304758.db2.gz YUSJIBBROAKFQN-UHFFFAOYSA-N 0 0 329.341 2.742 10 5 EFBERN CCOC(=O)[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872784738 1289380765 /nfs/dbraw/zinc/38/07/65/1289380765.db2.gz QRUUZEPVAZRMQY-HTQZYQBOSA-N 0 0 338.307 2.834 10 5 EFBERN CC(=O)C1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000872800060 1289389426 /nfs/dbraw/zinc/38/94/26/1289389426.db2.gz QPZJTAQHASQDGW-UHFFFAOYSA-N 0 0 328.372 2.717 10 5 EFBERN COC(=O)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC001180201098 1289441474 /nfs/dbraw/zinc/44/14/74/1289441474.db2.gz QDRUXVKYRRRAEM-CQSZACIVSA-N 0 0 334.372 2.694 10 5 EFBERN Cc1c(C[S@](C)=O)cccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001136800925 1289489021 /nfs/dbraw/zinc/48/90/21/1289489021.db2.gz IFVPDDOWKBWBTB-QFIPXVFZSA-N 0 0 326.418 2.648 10 5 EFBERN Nc1ccc(NC(=O)NC[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000823926753 1289494213 /nfs/dbraw/zinc/49/42/13/1289494213.db2.gz FUOLJSWTTOTTMS-SNVBAGLBSA-N 0 0 336.417 2.832 10 5 EFBERN Nc1ccc(NC(=O)NC2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000823933087 1289495513 /nfs/dbraw/zinc/49/55/13/1289495513.db2.gz KIHKJIKJXGIESI-UHFFFAOYSA-N 0 0 344.318 2.849 10 5 EFBERN Nc1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000823979719 1289504938 /nfs/dbraw/zinc/50/49/38/1289504938.db2.gz ABGMZOKXSQKADL-CYBMUJFWSA-N 0 0 348.384 2.844 10 5 EFBERN CCOc1nc2cc(C(=O)NCc3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC001136811320 1289516952 /nfs/dbraw/zinc/51/69/52/1289516952.db2.gz CQAHTTKHMXKTGN-UHFFFAOYSA-N 0 0 340.339 2.800 10 5 EFBERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840158 1289578054 /nfs/dbraw/zinc/57/80/54/1289578054.db2.gz FTPGGYDAKQNUKS-FDKDBAQKSA-N 0 0 336.413 2.840 10 5 EFBERN Cc1c(CC(=O)NOCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC001180650159 1289595779 /nfs/dbraw/zinc/59/57/79/1289595779.db2.gz ZLDVOTSDEBABEN-UHFFFAOYSA-N 0 0 330.340 2.573 10 5 EFBERN CN(CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001166040799 1312722200 /nfs/dbraw/zinc/72/22/00/1312722200.db2.gz XNBBHTWBFMTCFX-UHFFFAOYSA-N 0 0 340.339 2.548 10 5 EFBERN Cc1ccc(CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC001166038996 1312722208 /nfs/dbraw/zinc/72/22/08/1312722208.db2.gz KNVFFPZVWJJFQP-UHFFFAOYSA-N 0 0 325.324 2.963 10 5 EFBERN C[C@@H](OC(=O)CCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000803513221 1312739890 /nfs/dbraw/zinc/73/98/90/1312739890.db2.gz VVFLRFXZZGIZHV-CQSZACIVSA-N 0 0 336.388 2.702 10 5 EFBERN O=C(O[C@H]1CCOC2(CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000873577934 1289938740 /nfs/dbraw/zinc/93/87/40/1289938740.db2.gz CKZUKAPICKGRRA-LBPRGKRZSA-N 0 0 349.339 2.972 10 5 EFBERN O=C(O[C@@H]1CCOC2(CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000873577933 1289939222 /nfs/dbraw/zinc/93/92/22/1289939222.db2.gz CKZUKAPICKGRRA-GFCCVEGCSA-N 0 0 349.339 2.972 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1F)Nc1ccc(Cl)nc1 ZINC001166212005 1312746750 /nfs/dbraw/zinc/74/67/50/1312746750.db2.gz UHFOYQRDAOULDV-UHFFFAOYSA-N 0 0 343.673 2.939 10 5 EFBERN O=[N+]([O-])c1cc([N+](=O)[O-])n(CCc2ccccc2Br)n1 ZINC001166240570 1312751774 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325.712 2.526 10 5 EFBERN C[C@H]1COCCN1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001185291209 1290639530 /nfs/dbraw/zinc/63/95/30/1290639530.db2.gz UYJVTPSPLLUESQ-JTQLQIEISA-N 0 0 333.310 2.746 10 5 EFBERN COC(=O)CCc1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001185297648 1290641538 /nfs/dbraw/zinc/64/15/38/1290641538.db2.gz CFTKOSHKHWSVKH-UHFFFAOYSA-N 0 0 343.339 2.543 10 5 EFBERN CCc1[nH]nc(C(=O)OCCc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000795615824 1290664488 /nfs/dbraw/zinc/66/44/88/1290664488.db2.gz NIWBUFAMOHNMFJ-UHFFFAOYSA-N 0 0 325.271 2.558 10 5 EFBERN CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)C(C)(C)c2ccccc2)n1 ZINC000795624681 1290667793 /nfs/dbraw/zinc/66/77/93/1290667793.db2.gz PYECZMPVNOEGNO-UHFFFAOYSA-N 0 0 345.355 2.515 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H](CO)c1ccccc1 ZINC001185544890 1290717362 /nfs/dbraw/zinc/71/73/62/1290717362.db2.gz VNDYJJQJFDPRIP-ZDUSSCGKSA-N 0 0 341.342 2.892 10 5 EFBERN O=C1OCC[C@H]2CN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])CCN12 ZINC001185848115 1290779232 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2.693 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(N[C@@H](CO)CC2CCCC2)c2ccccc21 ZINC001186231254 1290905137 /nfs/dbraw/zinc/90/51/37/1290905137.db2.gz YLAWOMSYVSADTM-CYBMUJFWSA-N 0 0 345.399 2.800 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(N[C@@H](CCO)c2ccco2)c2ccccc21 ZINC001186213838 1290913124 /nfs/dbraw/zinc/91/31/24/1290913124.db2.gz ZDVRDKPHGGAPHY-LBPRGKRZSA-N 0 0 343.339 2.575 10 5 EFBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Nc1cc2n(n1)CCCC2 ZINC001186387933 1290946787 /nfs/dbraw/zinc/94/67/87/1290946787.db2.gz KPTWXTHBDLDYBK-UHFFFAOYSA-N 0 0 341.371 2.763 10 5 EFBERN COc1ccc(Cl)cc1[C@H](O)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001186440871 1290953601 /nfs/dbraw/zinc/95/36/01/1290953601.db2.gz GWHXPEZDLFTJLE-LLVKDONJSA-N 0 0 339.735 2.503 10 5 EFBERN COc1ccc(Cl)cc1[C@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC001186440993 1290953865 /nfs/dbraw/zinc/95/38/65/1290953865.db2.gz ITHJCQGOTASHBI-SECBINFHSA-N 0 0 329.765 2.859 10 5 EFBERN COc1ccc(Cl)cc1[C@@H](O)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001186440877 1290954097 /nfs/dbraw/zinc/95/40/97/1290954097.db2.gz GWHXPEZDLFTJLE-NSHDSACASA-N 0 0 339.735 2.503 10 5 EFBERN COc1cc(N2CC[C@H](c3cc(=O)[nH][nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001186905020 1291046852 /nfs/dbraw/zinc/04/68/52/1291046852.db2.gz AECTYWSGCOASER-QMMMGPOBSA-N 0 0 338.751 2.679 10 5 EFBERN O=[N+]([O-])c1cnc(Nc2cnn(CCF)c2)c(Br)c1 ZINC001187052204 1291085766 /nfs/dbraw/zinc/08/57/66/1291085766.db2.gz DHSXPOIIAMUGID-UHFFFAOYSA-N 0 0 330.117 2.662 10 5 EFBERN COC(=O)c1nn(CC(=O)c2csc3ccccc23)cc1[N+](=O)[O-] ZINC001166738483 1312832640 /nfs/dbraw/zinc/83/26/40/1312832640.db2.gz IOXQZAVAPIVQPI-UHFFFAOYSA-N 0 0 345.336 2.676 10 5 EFBERN Cn1cc([N+](=O)[O-])c(N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC001187182030 1291115855 /nfs/dbraw/zinc/11/58/55/1291115855.db2.gz BRIATJQOLNCOTQ-AWEZNQCLSA-N 0 0 343.387 2.649 10 5 EFBERN Nc1nc(NCc2cn(C(F)F)c3ccccc23)ncc1[N+](=O)[O-] ZINC001187255957 1291143085 /nfs/dbraw/zinc/14/30/85/1291143085.db2.gz DMSGRIQJIKEUTL-UHFFFAOYSA-N 0 0 334.286 2.929 10 5 EFBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](O)c1ccccc1 ZINC001187541050 1291186561 /nfs/dbraw/zinc/18/65/61/1291186561.db2.gz GUSUVZYEISHERV-GOEBONIOSA-N 0 0 329.356 2.618 10 5 EFBERN Cc1nc2c(cccc2CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)o1 ZINC001187540795 1291187114 /nfs/dbraw/zinc/18/71/14/1291187114.db2.gz DCMSQLABXKVRSU-UHFFFAOYSA-N 0 0 340.339 2.798 10 5 EFBERN COC(=O)C=Cc1ccc(NCc2[nH]c(C)nc2C)c([N+](=O)[O-])c1 ZINC001187670005 1291209717 /nfs/dbraw/zinc/20/97/17/1291209717.db2.gz XKSIZZVUPKMNBH-FNORWQNLSA-N 0 0 330.344 2.733 10 5 EFBERN CNc1cc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])ccn1 ZINC001187686457 1291213147 /nfs/dbraw/zinc/21/31/47/1291213147.db2.gz OEQTZWGQYQWNRK-UHFFFAOYSA-N 0 0 327.319 2.753 10 5 EFBERN COC(=O)Cc1ccc(NCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001187757211 1291230495 /nfs/dbraw/zinc/23/04/95/1291230495.db2.gz FEABZKNMPQWHAF-BBRMVZONSA-N 0 0 336.388 2.663 10 5 EFBERN COc1ccc([C@@H](C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1C ZINC001187765934 1291233384 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EFBERN Cc1nn(CN2CCOC[C@@H]2CC(F)F)c2cc([N+](=O)[O-])ccc12 ZINC000795731630 1291348817 /nfs/dbraw/zinc/34/88/17/1291348817.db2.gz XPZZAMGYUGVDOF-LBPRGKRZSA-N 0 0 340.330 2.566 10 5 EFBERN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cc2ccccc2oc1=O ZINC001188465822 1291394034 /nfs/dbraw/zinc/39/40/34/1291394034.db2.gz JXHPHSIDXQONNJ-UHFFFAOYSA-N 0 0 338.275 2.657 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(COc2cccc(OC)c2C=O)c1 ZINC001188558169 1291408634 /nfs/dbraw/zinc/40/86/34/1291408634.db2.gz YVMVJJOCCLLRTI-UHFFFAOYSA-N 0 0 345.307 2.782 10 5 EFBERN O=C(C[C@@H]1C[C@H]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000877923078 1291416780 /nfs/dbraw/zinc/41/67/80/1291416780.db2.gz IUIIIQPCATWHRI-YOEHRIQHSA-N 0 0 329.400 2.680 10 5 EFBERN Cn1cc(CSc2nnc(Cc3cccc(F)c3)o2)c([N+](=O)[O-])n1 ZINC001188743572 1291456504 /nfs/dbraw/zinc/45/65/04/1291456504.db2.gz NUICPIYPSAAWLA-UHFFFAOYSA-N 0 0 349.347 2.734 10 5 EFBERN Cn1ccnc1C(=O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001166913190 1312865554 /nfs/dbraw/zinc/86/55/54/1312865554.db2.gz PBYCEXZBJFBKBM-UHFFFAOYSA-N 0 0 329.234 2.609 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCOC2 ZINC001166965866 1312873524 /nfs/dbraw/zinc/87/35/24/1312873524.db2.gz RUABFTGBNJPNEF-UHFFFAOYSA-N 0 0 327.340 2.962 10 5 EFBERN O=C(Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC001189416161 1291717603 /nfs/dbraw/zinc/71/76/03/1291717603.db2.gz LXTRYPVHZBJASZ-UHFFFAOYSA-N 0 0 345.098 2.889 10 5 EFBERN CC[C@H](C(=O)Nc1ccc(C)cc1)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001189416548 1291717736 /nfs/dbraw/zinc/71/77/36/1291717736.db2.gz RNLHBTRMTZXSKS-LLVKDONJSA-N 0 0 333.304 2.598 10 5 EFBERN [NH3+]C[C@@H]1Cc2cc(F)ccc2N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000903567611 1312876731 /nfs/dbraw/zinc/87/67/31/1312876731.db2.gz CMHQDTSMOVKDNG-NSHDSACASA-N 0 0 331.347 2.577 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)C(C)(C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000803614404 1312880308 /nfs/dbraw/zinc/88/03/08/1312880308.db2.gz UHVNILLKBRJJAV-UHFFFAOYSA-N 0 0 349.431 2.942 10 5 EFBERN CC1=C[C@@H](C)CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795970158 1291811580 /nfs/dbraw/zinc/81/15/80/1291811580.db2.gz FKFBMDFONKTEQL-MRVPVSSYSA-N 0 0 348.783 2.974 10 5 EFBERN CC(C)(C)c1ccc(NC(=O)CCCn2cncn2)cc1[N+](=O)[O-] ZINC000803614853 1312884069 /nfs/dbraw/zinc/88/40/69/1312884069.db2.gz ZAEAJNNDZCUOTC-UHFFFAOYSA-N 0 0 331.376 2.903 10 5 EFBERN C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000878953516 1291892930 /nfs/dbraw/zinc/89/29/30/1291892930.db2.gz JODNRHYZMJUSGK-NEPJUHHUSA-N 0 0 332.360 2.644 10 5 EFBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000796080882 1291943542 /nfs/dbraw/zinc/94/35/42/1291943542.db2.gz QVRLRNOBVWMFJU-OAHLLOKOSA-N 0 0 326.780 2.630 10 5 EFBERN O=C(COC(=O)c1cc2[nH]ccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000796099977 1291967296 /nfs/dbraw/zinc/96/72/96/1291967296.db2.gz CBNNSCYTRHIWIY-UHFFFAOYSA-N 0 0 345.336 2.933 10 5 EFBERN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000775365374 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EFBERN Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000868474310 1304312362 /nfs/dbraw/zinc/31/23/62/1304312362.db2.gz FQQQKMZAYOCCGO-GDBMZVCRSA-N 0 0 335.404 2.906 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000868474314 1304312394 /nfs/dbraw/zinc/31/23/94/1304312394.db2.gz FQQQKMZAYOCCGO-HOCLYGCPSA-N 0 0 335.404 2.906 10 5 EFBERN Cc1c(CNC(=O)N2CC[C@H]3CSC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000868535723 1304344734 /nfs/dbraw/zinc/34/47/34/1304344734.db2.gz UXYQDSBXMWHLCH-KBPBESRZSA-N 0 0 335.429 2.798 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCOC[C@@H]1CC1CCC1 ZINC000868595922 1304373040 /nfs/dbraw/zinc/37/30/40/1304373040.db2.gz NYKZOELYSJSXOD-AWEZNQCLSA-N 0 0 336.363 2.694 10 5 EFBERN CCO[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000868608266 1304378751 /nfs/dbraw/zinc/37/87/51/1304378751.db2.gz IOLQRRGFEGPRBQ-BLLLJJGKSA-N 0 0 336.388 2.604 10 5 EFBERN CCO[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000868608267 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COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1cnoc1C ZINC001164225148 1312472618 /nfs/dbraw/zinc/47/26/18/1312472618.db2.gz CXWSLZDHSINPKD-UHFFFAOYSA-N 0 0 325.708 2.943 10 5 EFBERN CC(F)(F)CN1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC001164234192 1312474850 /nfs/dbraw/zinc/47/48/50/1312474850.db2.gz KUMKUKSZLITNRI-UHFFFAOYSA-N 0 0 336.342 2.920 10 5 EFBERN CCOC(=O)[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001164265023 1312481552 /nfs/dbraw/zinc/48/15/52/1312481552.db2.gz LSUDGDHQHZAFKU-SECBINFHSA-N 0 0 343.177 2.747 10 5 EFBERN COC[C@@H](Sc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC001164270641 1312483072 /nfs/dbraw/zinc/48/30/72/1312483072.db2.gz KIVGKYRMIDSGLK-GFCCVEGCSA-N 0 0 333.369 2.569 10 5 EFBERN CC[C@H](NC(=O)N[C@H](C)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001231411931 1312492637 /nfs/dbraw/zinc/49/26/37/1312492637.db2.gz HKIHNDKSKQFUOC-ZHAHWJHGSA-N 0 0 349.309 2.657 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1(C(F)(F)F)CC1 ZINC000903246934 1312498086 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O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ncc(Cl)cn1 ZINC001278725264 1315609699 /nfs/dbraw/zinc/60/96/99/1315609699.db2.gz GMMCUOUWNZGCHD-UHFFFAOYSA-N 0 0 329.703 2.839 10 5 EFBERN Cc1nn(C)cc1CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001278729554 1315615165 /nfs/dbraw/zinc/61/51/65/1315615165.db2.gz DXAIMUALTMHBSB-UHFFFAOYSA-N 0 0 339.355 2.756 10 5 EFBERN C/C(=C/C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])c1cnccn1 ZINC001278730429 1315620019 /nfs/dbraw/zinc/62/00/19/1315620019.db2.gz LYUJRWKTNBTFGV-LUAWRHEFSA-N 0 0 335.323 2.975 10 5 EFBERN Cc1ccccc1[C@@H](O)CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001254239043 1315686137 /nfs/dbraw/zinc/68/61/37/1315686137.db2.gz AGQHRRTXGRGVQY-KRWDZBQOSA-N 0 0 343.383 2.744 10 5 EFBERN Cc1ccc(OC(=O)c2nn(C)cc2[N+](=O)[O-])c2c1[C@H](C)CC2=O ZINC001254352596 1315696849 /nfs/dbraw/zinc/69/68/49/1315696849.db2.gz XKCUGNHWRPAMBZ-SECBINFHSA-N 0 0 329.312 2.546 10 5 EFBERN Cc1cncc(Br)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001278792977 1315722368 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/nfs/dbraw/zinc/57/82/51/1320578251.db2.gz YNUJQYMFVGJHAT-UHFFFAOYSA-N 0 0 335.429 2.705 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC001319552375 1328915211 /nfs/dbraw/zinc/91/52/11/1328915211.db2.gz FCZBKTHXHQPCQF-UHFFFAOYSA-N 0 0 329.238 2.631 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001306054716 1321474763 /nfs/dbraw/zinc/47/47/63/1321474763.db2.gz HVFQAGBXTKSAQI-JTQLQIEISA-N 0 0 342.417 2.834 10 5 EFBERN COC(=O)c1cnc(Cl)c(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001287685505 1321516289 /nfs/dbraw/zinc/51/62/89/1321516289.db2.gz LROMBYVVPPPVFP-UHFFFAOYSA-N 0 0 341.732 2.744 10 5 EFBERN COc1cnc(F)c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC001287711346 1321521942 /nfs/dbraw/zinc/52/19/42/1321521942.db2.gz GYRXQCHJMIUGHQ-UHFFFAOYSA-N 0 0 344.302 2.731 10 5 EFBERN O=C(NCc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC001287959253 1321560197 /nfs/dbraw/zinc/56/01/97/1321560197.db2.gz XHMZUGIPUMPUGO-UHFFFAOYSA-N 0 0 336.145 2.682 10 5 EFBERN CN1CCOc2ccc(COC(=O)Cc3cccc([N+](=O)[O-])c3)cc21 ZINC001287972329 1321566651 /nfs/dbraw/zinc/56/66/51/1321566651.db2.gz ROKMQFVHAOTGMW-UHFFFAOYSA-N 0 0 342.351 2.709 10 5 EFBERN COCc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC001288122496 1321600316 /nfs/dbraw/zinc/60/03/16/1321600316.db2.gz IYPGOCCCGYKQTI-UHFFFAOYSA-N 0 0 330.340 2.931 10 5 EFBERN CCOC(OCC)[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001306066390 1321604458 /nfs/dbraw/zinc/60/44/58/1321604458.db2.gz BEZSKDVFWZRZFN-SECBINFHSA-N 0 0 330.768 2.766 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1csc(-c2ccoc2)n1 ZINC001288215766 1321619515 /nfs/dbraw/zinc/61/95/15/1321619515.db2.gz IIVRDUOAWFDSKK-UHFFFAOYSA-N 0 0 346.324 2.967 10 5 EFBERN CC(=O)c1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001288279018 1321633859 /nfs/dbraw/zinc/63/38/59/1321633859.db2.gz AMMPNXRRUWOHIQ-UHFFFAOYSA-N 0 0 343.295 2.982 10 5 EFBERN CCC[C@H](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001288398722 1321659166 /nfs/dbraw/zinc/65/91/66/1321659166.db2.gz SVEQYATZTQNPLK-NSHDSACASA-N 0 0 342.417 2.554 10 5 EFBERN CC1(C)C[C@@]1(C)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001288405336 1321661186 /nfs/dbraw/zinc/66/11/86/1321661186.db2.gz RQVUDYCIZNEIBO-YOEHRIQHSA-N 0 0 331.372 2.640 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc3c(c2)C[C@H](C)O3)n1 ZINC001288645258 1321725787 /nfs/dbraw/zinc/72/57/87/1321725787.db2.gz QNCAVECFDYNNKN-NSHDSACASA-N 0 0 327.340 2.552 10 5 EFBERN COc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1OC ZINC001288790986 1321760109 /nfs/dbraw/zinc/76/01/09/1321760109.db2.gz AFXAGAHSFCUGEJ-UHFFFAOYSA-N 0 0 332.312 2.630 10 5 EFBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2OC[C@@H]1F ZINC001288789891 1321760429 /nfs/dbraw/zinc/76/04/29/1321760429.db2.gz YURRVESACIHDJT-SJCJKPOMSA-N 0 0 346.314 2.562 10 5 EFBERN Cc1nc([C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC001288828720 1321771212 /nfs/dbraw/zinc/77/12/12/1321771212.db2.gz HWTACNPVVXBDLL-JTQLQIEISA-N 0 0 342.311 2.662 10 5 EFBERN COC(=O)c1cccc2c1CCN2C(=O)c1csc([N+](=O)[O-])c1 ZINC001289253712 1321809367 /nfs/dbraw/zinc/80/93/67/1321809367.db2.gz SBRGWUDCNNKIJK-UHFFFAOYSA-N 0 0 332.337 2.646 10 5 EFBERN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001289256263 1321809652 /nfs/dbraw/zinc/80/96/52/1321809652.db2.gz RCVCODJYRNEXCG-XHDPSFHLSA-N 0 0 349.387 2.618 10 5 EFBERN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC001289254854 1321809778 /nfs/dbraw/zinc/80/97/78/1321809778.db2.gz DXEVYNWJMIDJAI-NSHDSACASA-N 0 0 327.340 2.826 10 5 EFBERN COc1ccc(CC(=O)NCc2c(F)cccc2OC)cc1[N+](=O)[O-] ZINC001289340607 1321813362 /nfs/dbraw/zinc/81/33/62/1321813362.db2.gz KGGMJIWQRKKTOE-UHFFFAOYSA-N 0 0 348.330 2.610 10 5 EFBERN COc1cccc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001289370481 1321814449 /nfs/dbraw/zinc/81/44/49/1321814449.db2.gz QBRXVSOYHOTSQC-WKZPIUISSA-N 0 0 328.368 2.888 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1Oc1ccccn1 ZINC001289426180 1321816349 /nfs/dbraw/zinc/81/63/49/1321816349.db2.gz GVPFRKLPFMLOTN-UHFFFAOYSA-N 0 0 339.311 2.617 10 5 EFBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C)c[nH]c1=O ZINC001289520309 1321819524 /nfs/dbraw/zinc/81/95/24/1321819524.db2.gz YBMZEHBVDITNMZ-CQSZACIVSA-N 0 0 343.383 2.889 10 5 EFBERN COc1cc(C(=O)Nc2ccnc(F)c2OC)c([N+](=O)[O-])cc1F ZINC001289567223 1321820996 /nfs/dbraw/zinc/82/09/96/1321820996.db2.gz RFRYOOGXJCSRFG-UHFFFAOYSA-N 0 0 339.254 2.538 10 5 EFBERN C[S@](=O)(=NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001289706446 1321823947 /nfs/dbraw/zinc/82/39/47/1321823947.db2.gz GFZKXHFGSLVILA-HSZRJFAPSA-N 0 0 336.344 2.960 10 5 EFBERN O=C(Nc1cnc(F)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001289755000 1321824593 /nfs/dbraw/zinc/82/45/93/1321824593.db2.gz DMRNGYNOUOMOHS-UHFFFAOYSA-N 0 0 345.265 2.706 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001289755036 1321824757 /nfs/dbraw/zinc/82/47/57/1321824757.db2.gz FIIOFOUIHLQAEQ-UHFFFAOYSA-N 0 0 338.226 2.737 10 5 EFBERN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@]12CCOC2 ZINC001289823519 1321829219 /nfs/dbraw/zinc/82/92/19/1321829219.db2.gz RDZOSULDTJTHTB-LZLYRXPVSA-N 0 0 330.384 2.870 10 5 EFBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001289836968 1321830562 /nfs/dbraw/zinc/83/05/62/1321830562.db2.gz BIJGJJHPWNCFTG-NVXWUHKLSA-N 0 0 334.372 2.635 10 5 EFBERN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@]12CCCOC2 ZINC001289865054 1321831474 /nfs/dbraw/zinc/83/14/74/1321831474.db2.gz JJKGTYYTUSTDDU-QGZVFWFLSA-N 0 0 344.371 2.646 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cnc1C ZINC001289946177 1321842495 /nfs/dbraw/zinc/84/24/95/1321842495.db2.gz LGPPRTIAAANDIE-JTQLQIEISA-N 0 0 343.339 2.827 10 5 EFBERN COC(=O)c1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cnc1C ZINC001289946179 1321842570 /nfs/dbraw/zinc/84/25/70/1321842570.db2.gz LGPPRTIAAANDIE-SNVBAGLBSA-N 0 0 343.339 2.827 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(NCCCOCc3ccccc3)nn21 ZINC001319770158 1328983948 /nfs/dbraw/zinc/98/39/48/1328983948.db2.gz VPBHMDYJUNZJMT-UHFFFAOYSA-N 0 0 327.344 2.656 10 5 EFBERN CC(C)Oc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001290260367 1321892680 /nfs/dbraw/zinc/89/26/80/1321892680.db2.gz UYJMNWMUALPFOU-UHFFFAOYSA-N 0 0 343.383 2.937 10 5 EFBERN O=C(NCCNc1ccccc1[N+](=O)[O-])c1c(F)ccnc1Cl ZINC001290274631 1321893907 /nfs/dbraw/zinc/89/39/07/1321893907.db2.gz BZWKJSHPHFSZEB-UHFFFAOYSA-N 0 0 338.726 2.624 10 5 EFBERN CN(CCOc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001290377686 1321906192 /nfs/dbraw/zinc/90/61/92/1321906192.db2.gz NWRRHYQEFADDRE-UHFFFAOYSA-N 0 0 349.774 2.981 10 5 EFBERN COC(=O)Cc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001290547753 1321922748 /nfs/dbraw/zinc/92/27/48/1321922748.db2.gz NLICWSXITGJEGH-UHFFFAOYSA-N 0 0 346.314 2.631 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001290693637 1321942219 /nfs/dbraw/zinc/94/22/19/1321942219.db2.gz KOWFLTVISHQFSI-MRXNPFEDSA-N 0 0 345.330 2.530 10 5 EFBERN CCOc1ccc(N(CC)C(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001290705520 1321944102 /nfs/dbraw/zinc/94/41/02/1321944102.db2.gz BDOHYMHEVXUBQJ-UHFFFAOYSA-N 0 0 330.344 2.637 10 5 EFBERN COC(=O)CCCCCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001290875351 1321968018 /nfs/dbraw/zinc/96/80/18/1321968018.db2.gz ZUPNOHAFARNXDW-CVEARBPZSA-N 0 0 348.399 2.938 10 5 EFBERN Cc1n[nH]c(C)c1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001303563705 1321975903 /nfs/dbraw/zinc/97/59/03/1321975903.db2.gz WVNVDWCAPIUNPK-UHFFFAOYSA-N 0 0 336.779 2.837 10 5 EFBERN Nc1c(Cl)cc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC001292297037 1322053768 /nfs/dbraw/zinc/05/37/68/1322053768.db2.gz BDBAFLQKUVWCLA-UHFFFAOYSA-N 0 0 349.778 2.573 10 5 EFBERN C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001292477585 1322080002 /nfs/dbraw/zinc/08/00/02/1322080002.db2.gz LQGJYICAWCEYLM-MEDUHNTESA-N 0 0 332.331 2.687 10 5 EFBERN CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001293391676 1322242153 /nfs/dbraw/zinc/24/21/53/1322242153.db2.gz BBBRUIFASWBBRM-ADLMAVQZSA-N 0 0 345.399 2.857 10 5 EFBERN CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001293391678 1322242293 /nfs/dbraw/zinc/24/22/93/1322242293.db2.gz BBBRUIFASWBBRM-VOJFVSQTSA-N 0 0 345.399 2.857 10 5 EFBERN O=C(c1nc2cnccc2s1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001293830161 1322365209 /nfs/dbraw/zinc/36/52/09/1322365209.db2.gz DRBOBJRYJGCPLS-UHFFFAOYSA-N 0 0 326.337 2.802 10 5 EFBERN CC(C)(NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001293837510 1322365780 /nfs/dbraw/zinc/36/57/80/1322365780.db2.gz MHDQCCJPJMQSSZ-UHFFFAOYSA-N 0 0 334.763 2.891 10 5 EFBERN C[C@@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC001293993384 1322391741 /nfs/dbraw/zinc/39/17/41/1322391741.db2.gz DPHLOBTVZUCGII-CQSZACIVSA-N 0 0 340.788 2.947 10 5 EFBERN CCCCCn1c(C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001294122056 1322412933 /nfs/dbraw/zinc/41/29/33/1322412933.db2.gz QSFHDOGIYPNWSS-UHFFFAOYSA-N 0 0 347.423 2.723 10 5 EFBERN O=C(N1CC[C@H]2[C@@H](C1)C2(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001294144845 1322417332 /nfs/dbraw/zinc/41/73/32/1322417332.db2.gz CWJNXIBXRPZMHF-WDEREUQCSA-N 0 0 332.253 2.800 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC001294431579 1322481369 /nfs/dbraw/zinc/48/13/69/1322481369.db2.gz MVYQXJVSITZVRH-UHFFFAOYSA-N 0 0 325.324 2.948 10 5 EFBERN CC[C@H](NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)c1noc(C)n1 ZINC001294447307 1322484216 /nfs/dbraw/zinc/48/42/16/1322484216.db2.gz RMARJYGOAIYORC-QMMMGPOBSA-N 0 0 340.286 2.754 10 5 EFBERN COc1ccc(C[C@H]2CCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001294504519 1322498725 /nfs/dbraw/zinc/49/87/25/1322498725.db2.gz LXWZODHSYLQEFS-MRXNPFEDSA-N 0 0 340.379 2.990 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)CC(=O)c2ccccc2)n1 ZINC001294617779 1322531648 /nfs/dbraw/zinc/53/16/48/1322531648.db2.gz IVKSDJCRZONNKJ-GFCCVEGCSA-N 0 0 327.340 2.690 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC001294644402 1322540161 /nfs/dbraw/zinc/54/01/61/1322540161.db2.gz ZXFNCLOMIKNXKP-LBPRGKRZSA-N 0 0 332.385 2.847 10 5 EFBERN COCCC1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001294691424 1322543011 /nfs/dbraw/zinc/54/30/11/1322543011.db2.gz VEDHPZBQSYUWJF-UHFFFAOYSA-N 0 0 345.758 2.516 10 5 EFBERN COc1cccc2c1CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001294746179 1322552242 /nfs/dbraw/zinc/55/22/42/1322552242.db2.gz OHOXNBGZJHHOLP-OAHLLOKOSA-N 0 0 327.340 2.603 10 5 EFBERN O=C(Nc1ccc(O)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001294756108 1322555579 /nfs/dbraw/zinc/55/55/79/1322555579.db2.gz STBNAKLONHJLRO-UHFFFAOYSA-N 0 0 338.323 2.798 10 5 EFBERN Cc1cccc([C@@H](O)CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001294885659 1322589933 /nfs/dbraw/zinc/58/99/33/1322589933.db2.gz ZLVUCQINWWOWRF-INIZCTEOSA-N 0 0 348.786 2.949 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(CCO)cc1 ZINC001294966904 1322611729 /nfs/dbraw/zinc/61/17/29/1322611729.db2.gz KHCUYOKNTSUELO-UHFFFAOYSA-N 0 0 334.759 2.964 10 5 EFBERN C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC001295252888 1322664152 /nfs/dbraw/zinc/66/41/52/1322664152.db2.gz CSIUUNOYWIZQTE-VFZGTOFNSA-N 0 0 336.294 2.784 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2c3ccccc3CN2C)c1 ZINC001307191545 1322684605 /nfs/dbraw/zinc/68/46/05/1322684605.db2.gz SKHFMUKARFHHDJ-QGZVFWFLSA-N 0 0 341.367 2.980 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCCCC[C@H]1c1ncon1 ZINC001295476332 1322707315 /nfs/dbraw/zinc/70/73/15/1322707315.db2.gz SGGUNGFMEBYQCP-ZDUSSCGKSA-N 0 0 348.334 2.803 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)c1cccc(O)c1 ZINC001295519755 1322716319 /nfs/dbraw/zinc/71/63/19/1322716319.db2.gz NLCJBUNCIMXEKM-NSHDSACASA-N 0 0 330.340 2.729 10 5 EFBERN CC[C@@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)ccn1 ZINC001295606441 1322733493 /nfs/dbraw/zinc/73/34/93/1322733493.db2.gz ANFAMLJATSOFCO-GFCCVEGCSA-N 0 0 344.371 2.801 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1([C@H](C)CCO)CCC1 ZINC001295633535 1322738329 /nfs/dbraw/zinc/73/83/29/1322738329.db2.gz KJIXZWSXSZVLGS-GFCCVEGCSA-N 0 0 338.379 2.961 10 5 EFBERN CN(CCN(C)C(=O)c1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC001319970308 1329046835 /nfs/dbraw/zinc/04/68/35/1329046835.db2.gz RDDHJZIOZMRCQS-UHFFFAOYSA-N 0 0 345.374 2.938 10 5 EFBERN CN(CCN(C)C(=O)c1ccccc1O)Cc1cccc([N+](=O)[O-])c1 ZINC001319975875 1329047415 /nfs/dbraw/zinc/04/74/15/1329047415.db2.gz BKWMNLVHVVPALZ-UHFFFAOYSA-N 0 0 343.383 2.504 10 5 EFBERN CCC(CC)C(=O)N(C)CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001319977461 1329048161 /nfs/dbraw/zinc/04/81/61/1329048161.db2.gz HQTHCWMYIUQSIC-UHFFFAOYSA-N 0 0 327.450 2.983 10 5 EFBERN CCc1n[nH]c(C(=O)N[C@@H]2CCCc3ccc(OC)cc32)c1[N+](=O)[O-] ZINC001295855733 1322794309 /nfs/dbraw/zinc/79/43/09/1322794309.db2.gz KMSLZLNWWRECNL-CQSZACIVSA-N 0 0 344.371 2.696 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c2cc(=O)ccc-2c1 ZINC001295918337 1322805835 /nfs/dbraw/zinc/80/58/35/1322805835.db2.gz IFUYIGOMRLXNBX-UHFFFAOYSA-N 0 0 337.335 2.821 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC001296000174 1322838083 /nfs/dbraw/zinc/83/80/83/1322838083.db2.gz QLRZNPDHGAMPAB-SNVBAGLBSA-N 0 0 347.375 2.726 10 5 EFBERN CC1(C)CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC001296035545 1322843852 /nfs/dbraw/zinc/84/38/52/1322843852.db2.gz KIKXNNROGZDKKY-UHFFFAOYSA-N 0 0 326.356 2.506 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](CO)Cc1ccccc1 ZINC001296110833 1322854777 /nfs/dbraw/zinc/85/47/77/1322854777.db2.gz NCYTYUOKKLNGTI-AWEZNQCLSA-N 0 0 348.786 2.511 10 5 EFBERN Cc1cnc(NCc2csc(-c3ccn(C)n3)n2)c([N+](=O)[O-])c1 ZINC001307208943 1322859447 /nfs/dbraw/zinc/85/94/47/1322859447.db2.gz PZEMUWFSLRXFLJ-UHFFFAOYSA-N 0 0 330.373 2.767 10 5 EFBERN CSCc1nc(CNc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC001307211533 1322939392 /nfs/dbraw/zinc/93/93/92/1322939392.db2.gz HUDXYTXTUSTVHT-UHFFFAOYSA-N 0 0 336.402 2.798 10 5 EFBERN CC(=O)SCCCCCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001296736532 1322996158 /nfs/dbraw/zinc/99/61/58/1322996158.db2.gz RWAXOEQDHMLDRV-UHFFFAOYSA-N 0 0 348.812 2.541 10 5 EFBERN CC(C)(C)OC(=O)NCCSc1cc(F)c([N+](=O)[O-])cc1CO ZINC001307218844 1323021265 /nfs/dbraw/zinc/02/12/65/1323021265.db2.gz CXUXASFQHYTMIF-UHFFFAOYSA-N 0 0 346.380 2.843 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(O)c(OC)c1 ZINC001297059819 1323080153 /nfs/dbraw/zinc/08/01/53/1323080153.db2.gz IJFJYEIAQFQZRP-UHFFFAOYSA-N 0 0 332.312 2.960 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001297197283 1323117205 /nfs/dbraw/zinc/11/72/05/1323117205.db2.gz PGCQCFPRMVHBKL-QMTHXVAHSA-N 0 0 333.294 2.741 10 5 EFBERN CCC(=O)c1ccc(N2CCc3ccnc(N)c3C2)c([N+](=O)[O-])c1 ZINC001307229473 1323124216 /nfs/dbraw/zinc/12/42/16/1323124216.db2.gz BUQHXWFUFATKRO-UHFFFAOYSA-N 0 0 326.356 2.727 10 5 EFBERN CCCC(C)(C)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001297239571 1323132875 /nfs/dbraw/zinc/13/28/75/1323132875.db2.gz AHASJCSJMVUTHW-UHFFFAOYSA-N 0 0 345.403 2.892 10 5 EFBERN Cc1n[nH]c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1C(F)(F)F ZINC001297274683 1323145200 /nfs/dbraw/zinc/14/52/00/1323145200.db2.gz ZCQIEZVTHJUBCE-UHFFFAOYSA-N 0 0 342.277 2.618 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N(C)C(N)=O)c2)c1C ZINC001297314717 1323162142 /nfs/dbraw/zinc/16/21/42/1323162142.db2.gz CBHSXLPWCOPAFA-UHFFFAOYSA-N 0 0 342.355 2.979 10 5 EFBERN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC001297450234 1323222156 /nfs/dbraw/zinc/22/21/56/1323222156.db2.gz DSKLJZORHJUYNA-DTWKUNHWSA-N 0 0 335.339 2.857 10 5 EFBERN O=C(NCc1noc(-c2cccs2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC001297493770 1323239198 /nfs/dbraw/zinc/23/91/98/1323239198.db2.gz TZODABMJEHPFAX-UHFFFAOYSA-N 0 0 348.315 2.775 10 5 EFBERN COC(=O)[C@@]1(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCOC1 ZINC001307234779 1323305409 /nfs/dbraw/zinc/30/54/09/1323305409.db2.gz NLWWJSHYYKKMDR-CYBMUJFWSA-N 0 0 348.277 2.605 10 5 EFBERN Cc1noc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001297638357 1323306527 /nfs/dbraw/zinc/30/65/27/1323306527.db2.gz QDYUVGVFTOPKSW-ILXRZTDVSA-N 0 0 342.355 2.753 10 5 EFBERN COc1ccc(C=O)cc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001297645277 1323308008 /nfs/dbraw/zinc/30/80/08/1323308008.db2.gz GXNIGUNYKDEMCU-UHFFFAOYSA-N 0 0 342.351 2.731 10 5 EFBERN COc1nccc2cc(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)ccc21 ZINC001298170509 1323452406 /nfs/dbraw/zinc/45/24/06/1323452406.db2.gz NTLAGDDJPYGBMY-UHFFFAOYSA-N 0 0 347.718 2.780 10 5 EFBERN CC(C)(CCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1)[N+](=O)[O-] ZINC001298506740 1323555041 /nfs/dbraw/zinc/55/50/41/1323555041.db2.gz OKOMRULVZZGHPR-UHFFFAOYSA-N 0 0 342.399 2.797 10 5 EFBERN CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001298640862 1323580547 /nfs/dbraw/zinc/58/05/47/1323580547.db2.gz UBBSYIPTZIUBAG-ZDUSSCGKSA-N 0 0 335.404 2.541 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(O)cc1 ZINC001298824512 1323617350 /nfs/dbraw/zinc/61/73/50/1323617350.db2.gz MQNGUVDPSZBSDH-UHFFFAOYSA-N 0 0 332.312 2.717 10 5 EFBERN CCOC(=O)Nc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001298875441 1323627130 /nfs/dbraw/zinc/62/71/30/1323627130.db2.gz JOCDZNMJHASMSU-UHFFFAOYSA-N 0 0 344.327 2.998 10 5 EFBERN Cc1cc(-c2nc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)co2)ccn1 ZINC001298876080 1323627356 /nfs/dbraw/zinc/62/73/56/1323627356.db2.gz TYNWYRRMJYQACA-UHFFFAOYSA-N 0 0 339.311 2.788 10 5 EFBERN CN(CC(=O)Nc1cc(O)c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001298972007 1323651662 /nfs/dbraw/zinc/65/16/62/1323651662.db2.gz DRRUXYKUNJRFQD-UHFFFAOYSA-N 0 0 337.282 2.654 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@](C)(O)c1ccccc1 ZINC001299859227 1323709866 /nfs/dbraw/zinc/70/98/66/1323709866.db2.gz VHDDWQIWIOUYIA-KRWDZBQOSA-N 0 0 329.356 2.873 10 5 EFBERN CCn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)cc1C1CC1 ZINC001299863190 1323711152 /nfs/dbraw/zinc/71/11/52/1323711152.db2.gz ZZRQMHHJLZJXNY-UHFFFAOYSA-N 0 0 329.360 2.983 10 5 EFBERN Cc1nsc(C)c1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001299933928 1323713519 /nfs/dbraw/zinc/71/35/19/1323713519.db2.gz XVLLSTJNVCDACK-UHFFFAOYSA-N 0 0 327.312 2.876 10 5 EFBERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001320490736 1329144543 /nfs/dbraw/zinc/14/45/43/1329144543.db2.gz FWTMMHHOJYDQTA-DLBZAZTESA-N 0 0 331.416 2.531 10 5 EFBERN Cc1cc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC001492225925 1324361858 /nfs/dbraw/zinc/36/18/58/1324361858.db2.gz FFNRWEJDLTUDRP-UHFFFAOYSA-N 0 0 331.372 2.666 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1Cc2ccc(O)cc2C1 ZINC001301074228 1324521450 /nfs/dbraw/zinc/52/14/50/1324521450.db2.gz VVRGDYNCYHMNJW-UHFFFAOYSA-N 0 0 328.324 2.612 10 5 EFBERN COc1cccc(CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001301192512 1324527870 /nfs/dbraw/zinc/52/78/70/1324527870.db2.gz VRWCQOFKVRHYCT-UHFFFAOYSA-N 0 0 349.774 2.553 10 5 EFBERN Cc1nnc(CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)s1 ZINC001301303333 1324536439 /nfs/dbraw/zinc/53/64/39/1324536439.db2.gz MNAUMPDQWOFVJT-UHFFFAOYSA-N 0 0 331.357 2.508 10 5 EFBERN Cc1cc2nccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2n1 ZINC001301449120 1324544403 /nfs/dbraw/zinc/54/44/03/1324544403.db2.gz LFJGZDBCRYWQEC-UHFFFAOYSA-N 0 0 336.311 2.680 10 5 EFBERN COCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1C[C@@H]1C ZINC001301683718 1324555854 /nfs/dbraw/zinc/55/58/54/1324555854.db2.gz FWEDPKWYRMLAHJ-SMDDNHRTSA-N 0 0 331.376 2.517 10 5 EFBERN CC(C)(C)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001302381115 1324576514 /nfs/dbraw/zinc/57/65/14/1324576514.db2.gz CSYRBRDPFQNSAZ-UHFFFAOYSA-N 0 0 329.356 2.923 10 5 EFBERN Cc1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001302424239 1324578186 /nfs/dbraw/zinc/57/81/86/1324578186.db2.gz IQTOXZLQFRAFGQ-QGZVFWFLSA-N 0 0 332.331 2.680 10 5 EFBERN CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001302457447 1324578670 /nfs/dbraw/zinc/57/86/70/1324578670.db2.gz CIEHJASAENUZQK-SFHVURJKSA-N 0 0 342.399 2.959 10 5 EFBERN CCc1n[nH]c(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001302593409 1324581252 /nfs/dbraw/zinc/58/12/52/1324581252.db2.gz GRDBTFCGPAFNMN-DTWKUNHWSA-N 0 0 346.309 2.755 10 5 EFBERN CNc1nccc(C(=O)Nc2cc(F)c(F)c(F)c2F)c1[N+](=O)[O-] ZINC001302658748 1324583507 /nfs/dbraw/zinc/58/35/07/1324583507.db2.gz ICYABTFBWXCVGP-UHFFFAOYSA-N 0 0 344.224 2.840 10 5 EFBERN O=C(NCc1cc(C(F)(F)F)n[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001302822559 1324587990 /nfs/dbraw/zinc/58/79/90/1324587990.db2.gz NFKGGAWOHCPCDI-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001302932985 1324589078 /nfs/dbraw/zinc/58/90/78/1324589078.db2.gz JSZTZMMMYBMKKY-UHFFFAOYSA-N 0 0 348.742 2.870 10 5 EFBERN C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])Cc2cncnc21 ZINC001302947462 1324589113 /nfs/dbraw/zinc/58/91/13/1324589113.db2.gz PFKBSMDUTDEZFF-SECBINFHSA-N 0 0 332.747 2.798 10 5 EFBERN COc1ccc(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC001303290293 1324600880 /nfs/dbraw/zinc/60/08/80/1324600880.db2.gz KHAKBTPWFQNKSM-LBPRGKRZSA-N 0 0 344.367 2.771 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001303288403 1324601087 /nfs/dbraw/zinc/60/10/87/1324601087.db2.gz WZOKDPTVYBIPDA-TYNCELHUSA-N 0 0 338.791 2.865 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](O)c1ccccc1 ZINC001303376700 1324604042 /nfs/dbraw/zinc/60/40/42/1324604042.db2.gz BBZGQAVGBDRDQR-WBVHZDCISA-N 0 0 344.367 2.845 10 5 EFBERN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c2c(n1)onc2C(C)C ZINC001303573794 1324613126 /nfs/dbraw/zinc/61/31/26/1324613126.db2.gz WXHWBHSBLPJGDX-UHFFFAOYSA-N 0 0 330.304 2.538 10 5 EFBERN CC[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001303840170 1324622709 /nfs/dbraw/zinc/62/27/09/1324622709.db2.gz JECQVXSHSYGHDE-JTQLQIEISA-N 0 0 340.351 2.832 10 5 EFBERN CCOC(=O)[C@](C)(CNC(=O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001303944305 1324627097 /nfs/dbraw/zinc/62/70/97/1324627097.db2.gz FOWHSKGEOCMLNP-KRWDZBQOSA-N 0 0 336.388 2.940 10 5 EFBERN COc1cccc(C(=O)Nc2cnc3[nH]ccc3c2C)c1[N+](=O)[O-] ZINC001303976504 1324629149 /nfs/dbraw/zinc/62/91/49/1324629149.db2.gz QQYPIWRJEMMYLP-UHFFFAOYSA-N 0 0 326.312 2.992 10 5 EFBERN CCc1ccc(C(=O)N2CC[C@@H](c3ncccn3)C2)cc1[N+](=O)[O-] ZINC001304037113 1324633017 /nfs/dbraw/zinc/63/30/17/1324633017.db2.gz RAQGGKDFCFMLQN-CQSZACIVSA-N 0 0 326.356 2.577 10 5 EFBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](c2ncccn2)C1 ZINC001304035793 1324633130 /nfs/dbraw/zinc/63/31/30/1324633130.db2.gz JPPTVHOWAQBLMV-JTQLQIEISA-N 0 0 332.747 2.668 10 5 EFBERN CCc1ccc(C(=O)N2CC[C@H](c3ncccn3)C2)cc1[N+](=O)[O-] ZINC001304037111 1324633392 /nfs/dbraw/zinc/63/33/92/1324633392.db2.gz RAQGGKDFCFMLQN-AWEZNQCLSA-N 0 0 326.356 2.577 10 5 EFBERN Cc1ccc([S@](C)(=O)=NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC001304189169 1324644133 /nfs/dbraw/zinc/64/41/33/1324644133.db2.gz AEJXKFZRWOQWOJ-QHCPKHFHSA-N 0 0 333.369 2.783 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CC[C@H](C2CC2)O1 ZINC001304200866 1324644941 /nfs/dbraw/zinc/64/49/41/1324644941.db2.gz QHECKLPIBKRPOF-IUODEOHRSA-N 0 0 338.791 2.865 10 5 EFBERN C[C@@H](CNC(=O)c1cc(N)nc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001304193676 1324645141 /nfs/dbraw/zinc/64/51/41/1324645141.db2.gz WHIIPOUBUXSESK-VIFPVBQESA-N 0 0 334.763 2.759 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc2c(c1)CCO2 ZINC001304211145 1324645867 /nfs/dbraw/zinc/64/58/67/1324645867.db2.gz MFELAFNBYIIOGY-SNVBAGLBSA-N 0 0 327.340 2.603 10 5 EFBERN C[C@]12CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001304204294 1324646111 /nfs/dbraw/zinc/64/61/11/1324646111.db2.gz RZEVFORVGDJKTD-ZSHKUORVSA-N 0 0 330.384 2.523 10 5 EFBERN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001304220141 1324646297 /nfs/dbraw/zinc/64/62/97/1324646297.db2.gz JTEJXJSGYPVFKE-NHYWBVRUSA-N 0 0 333.363 2.967 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)C1(C)CC1 ZINC001304456648 1324650748 /nfs/dbraw/zinc/65/07/48/1324650748.db2.gz XMMYARSMXRSFCI-SECBINFHSA-N 0 0 347.400 2.783 10 5 EFBERN 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333.348 2.798 10 5 EFBERN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ncc(Cl)s1 ZINC001312624276 1324990458 /nfs/dbraw/zinc/99/04/58/1324990458.db2.gz IXQNUWJFOFBRHP-UHFFFAOYSA-N 0 0 340.792 2.747 10 5 EFBERN O=C(N[C@@H]1CCCC12CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001313119223 1325007014 /nfs/dbraw/zinc/00/70/14/1325007014.db2.gz CWPMUCCLKYGDCY-MRXNPFEDSA-N 0 0 344.415 2.759 10 5 EFBERN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC ZINC001313683584 1325024160 /nfs/dbraw/zinc/02/41/60/1325024160.db2.gz GKXIZKUBLQYOTQ-UHFFFAOYSA-N 0 0 333.392 2.736 10 5 EFBERN CCc1n[nH]c(C(=O)N(C)[C@H](C)Cc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC001320812719 1329305886 /nfs/dbraw/zinc/30/58/86/1329305886.db2.gz NMQRGEWDKNPVJP-LLVKDONJSA-N 0 0 346.387 2.592 10 5 EFBERN Cc1cc(C(=O)NC/C=C/CNCc2csc([N+](=O)[O-])c2)c(C)o1 ZINC001320965360 1329325438 /nfs/dbraw/zinc/32/54/38/1329325438.db2.gz CECBHELLFWDHAU-ONEGZZNKSA-N 0 0 349.412 2.942 10 5 EFBERN CN(CCNC(=O)Cc1cccs1)Cc1csc([N+](=O)[O-])c1 ZINC001317439169 1328028838 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CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001352032661 1333359825 /nfs/dbraw/zinc/35/98/25/1333359825.db2.gz RNKGUHLUSZGOGH-ZYHUDNBSSA-N 0 0 326.780 2.918 10 5 EFBERN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001352134890 1333399124 /nfs/dbraw/zinc/39/91/24/1333399124.db2.gz DKWFDHTVKWNHED-UHFFFAOYSA-N 0 0 347.375 2.690 10 5 EFBERN COC[C@@H](CC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000847200024 1333404361 /nfs/dbraw/zinc/40/43/61/1333404361.db2.gz IHOUGOQCZVNPFA-LLVKDONJSA-N 0 0 339.348 2.684 10 5 EFBERN COC[C@H](CC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000847199695 1333405004 /nfs/dbraw/zinc/40/50/04/1333405004.db2.gz BSCWHADJZGHOOT-LBPRGKRZSA-N 0 0 337.420 2.842 10 5 EFBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@H]1CCCCO1 ZINC000847247422 1333441364 /nfs/dbraw/zinc/44/13/64/1333441364.db2.gz GWDGFWGGXXUECH-GDBMZVCRSA-N 0 0 335.404 2.738 10 5 EFBERN CC[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000847251652 1333445486 /nfs/dbraw/zinc/44/54/86/1333445486.db2.gz VXJGFGXNSIEEKT-GXTWGEPZSA-N 0 0 328.315 2.951 10 5 EFBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn1 ZINC001352288152 1333456443 /nfs/dbraw/zinc/45/64/43/1333456443.db2.gz ALLKERFKLYWVOV-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C(=O)NC2 ZINC001352495345 1333565157 /nfs/dbraw/zinc/56/51/57/1333565157.db2.gz QJBKKGKFNPOOIX-UHFFFAOYSA-N 0 0 329.287 2.538 10 5 EFBERN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC2(CC2(F)F)C1 ZINC000847338218 1333566860 /nfs/dbraw/zinc/56/68/60/1333566860.db2.gz YMXLDJVMPBRGSW-UHFFFAOYSA-N 0 0 331.706 2.799 10 5 EFBERN CC(C)Nc1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001300046226 1333587374 /nfs/dbraw/zinc/58/73/74/1333587374.db2.gz HFGOIMRMDFVNDS-UHFFFAOYSA-N 0 0 333.323 2.784 10 5 EFBERN O=C(Nc1ccccc1-c1cc[nH]n1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001300049397 1333592317 /nfs/dbraw/zinc/59/23/17/1333592317.db2.gz HWHWNNNWXIMTBE-MRXNPFEDSA-N 0 0 338.323 2.657 10 5 EFBERN Cc1nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ncccc12 ZINC001352634817 1333645111 /nfs/dbraw/zinc/64/51/11/1333645111.db2.gz PBVWVHQAMFKAIY-UHFFFAOYSA-N 0 0 325.328 2.595 10 5 EFBERN Cc1ccccc1-n1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001352647525 1333650652 /nfs/dbraw/zinc/65/06/52/1333650652.db2.gz NBWLNOHLHZNKGW-UHFFFAOYSA-N 0 0 341.302 2.875 10 5 EFBERN Cc1nc2ccnn2cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001352649076 1333651304 /nfs/dbraw/zinc/65/13/04/1333651304.db2.gz RSXVAXWRFADCJJ-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN O=C(Nc1cccc(N2CCOC2=O)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001352694742 1333670542 /nfs/dbraw/zinc/67/05/42/1333670542.db2.gz NMBUBVHXTYRBQU-UHFFFAOYSA-N 0 0 345.286 2.943 10 5 EFBERN O=C(CN1Cc2ccccc2OC1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001352764845 1333716072 /nfs/dbraw/zinc/71/60/72/1333716072.db2.gz VLRJNXJJBRAUGQ-UHFFFAOYSA-N 0 0 342.307 2.653 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC001352800509 1333738471 /nfs/dbraw/zinc/73/84/71/1333738471.db2.gz WZECVAOPUCLJMY-UHFFFAOYSA-N 0 0 341.327 2.757 10 5 EFBERN CCC(C)(CC)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000847520104 1333831609 /nfs/dbraw/zinc/83/16/09/1333831609.db2.gz JDOWOQYUASDZSB-UHFFFAOYSA-N 0 0 327.768 2.882 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001353090784 1333920146 /nfs/dbraw/zinc/92/01/46/1333920146.db2.gz MTQGWHVBVZAJJP-HNNXBMFYSA-N 0 0 340.339 2.738 10 5 EFBERN COC(=O)[C@@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001353203340 1334009305 /nfs/dbraw/zinc/00/93/05/1334009305.db2.gz NCRXELBRGRXWPF-PRHODGIISA-N 0 0 348.277 2.604 10 5 EFBERN C[C@H](OC(=O)CCc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001353256016 1334050980 /nfs/dbraw/zinc/05/09/80/1334050980.db2.gz XBICDFVJTJTIND-LBPRGKRZSA-N 0 0 342.351 2.931 10 5 EFBERN C[C@@H](O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1F ZINC001300255210 1334073762 /nfs/dbraw/zinc/07/37/62/1334073762.db2.gz CUQPIERFGQSBRI-PSLIRLAXSA-N 0 0 336.294 2.725 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1F ZINC001300255209 1334073979 /nfs/dbraw/zinc/07/39/79/1334073979.db2.gz CUQPIERFGQSBRI-BJOHPYRUSA-N 0 0 336.294 2.725 10 5 EFBERN C[C@H](O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1F ZINC001300255213 1334074243 /nfs/dbraw/zinc/07/42/43/1334074243.db2.gz CUQPIERFGQSBRI-VFZGTOFNSA-N 0 0 336.294 2.725 10 5 EFBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC001353490383 1334099536 /nfs/dbraw/zinc/09/95/36/1334099536.db2.gz JLLFFGSVKUPRRN-JSGCOSHPSA-N 0 0 341.371 2.580 10 5 EFBERN COC(=O)[C@@]1(C(=O)Oc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001354145611 1334135022 /nfs/dbraw/zinc/13/50/22/1334135022.db2.gz BLDCPEZCOWESCN-MAUKXSAKSA-N 0 0 341.319 2.847 10 5 EFBERN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001354147447 1334135333 /nfs/dbraw/zinc/13/53/33/1334135333.db2.gz VKMVUSZUKDXMEZ-UHFFFAOYSA-N 0 0 347.348 2.750 10 5 EFBERN C[C@@H]1C[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCS1 ZINC001354268676 1334204769 /nfs/dbraw/zinc/20/47/69/1334204769.db2.gz GCXHABPURDCQKR-BXUZGUMPSA-N 0 0 335.429 2.947 10 5 EFBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1C2CCC1(CO)CC2 ZINC001354283712 1334211451 /nfs/dbraw/zinc/21/14/51/1334211451.db2.gz UQOHXBHBABAXPE-UHFFFAOYSA-N 0 0 328.727 2.517 10 5 EFBERN NC(=O)c1cc(Oc2ccc(-c3nnco3)cc2)ccc1[N+](=O)[O-] ZINC001472636554 1334267200 /nfs/dbraw/zinc/26/72/00/1334267200.db2.gz JDCJMLNQORAPDE-UHFFFAOYSA-N 0 0 326.268 2.536 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCOc1cccnc1 ZINC001472697134 1334345105 /nfs/dbraw/zinc/34/51/05/1334345105.db2.gz YJCXCULBNRTQPJ-UHFFFAOYSA-N 0 0 328.303 2.590 10 5 EFBERN C/C(=C/C(=O)N[C@@]1(C)CC(C)(C)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000848148243 1334366780 /nfs/dbraw/zinc/36/67/80/1334366780.db2.gz OMSVRJLGNCLKKD-CCCPALQASA-N 0 0 332.356 2.599 10 5 EFBERN O=C(CCOc1ccccc1[N+](=O)[O-])NC1(C(F)(F)F)CCC1 ZINC001354546486 1334369623 /nfs/dbraw/zinc/36/96/23/1334369623.db2.gz XZROPZNLZOTAQE-UHFFFAOYSA-N 0 0 332.278 2.965 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])c1cccc2c1OC(F)(F)O2 ZINC001354563265 1334381270 /nfs/dbraw/zinc/38/12/70/1334381270.db2.gz JKGDTTXJJGASMC-UHFFFAOYSA-N 0 0 336.250 2.846 10 5 EFBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001354563736 1334381505 /nfs/dbraw/zinc/38/15/05/1334381505.db2.gz KBJQUWVGKOTXKQ-LSDHHAIUSA-N 0 0 341.323 2.923 10 5 EFBERN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCc1cnccn1 ZINC001472745551 1334393641 /nfs/dbraw/zinc/39/36/41/1334393641.db2.gz WADZHKWZUKUMOT-UHFFFAOYSA-N 0 0 329.747 2.663 10 5 EFBERN COc1cccc(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])c1OC ZINC001354605529 1334406133 /nfs/dbraw/zinc/40/61/33/1334406133.db2.gz HLDIRCCIFGFDLI-UHFFFAOYSA-N 0 0 348.330 2.724 10 5 EFBERN Cc1ccnc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)c1 ZINC000848197542 1334435353 /nfs/dbraw/zinc/43/53/53/1334435353.db2.gz CUSLCTXLMZMQAA-GFCCVEGCSA-N 0 0 326.356 2.510 10 5 EFBERN Cc1ccnc([C@@H]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)C2)c1 ZINC000848199297 1334438958 /nfs/dbraw/zinc/43/89/58/1334438958.db2.gz YCEMERNYRRCPIN-CYBMUJFWSA-N 0 0 340.383 2.819 10 5 EFBERN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001300704931 1334488604 /nfs/dbraw/zinc/48/86/04/1334488604.db2.gz KAJZVPKZLHISIA-JTQLQIEISA-N 0 0 341.795 2.556 10 5 EFBERN COC(=O)c1nc(CNc2ncc([N+](=O)[O-])cc2F)ccc1Cl ZINC001472828744 1334493225 /nfs/dbraw/zinc/49/32/25/1334493225.db2.gz XTBQLLCNXYFDQG-UHFFFAOYSA-N 0 0 340.698 2.576 10 5 EFBERN CC(C)[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000848252063 1334514811 /nfs/dbraw/zinc/51/48/11/1334514811.db2.gz WXODWXBBBYIJAV-HNNXBMFYSA-N 0 0 336.363 2.817 10 5 EFBERN CNS(=O)(=O)c1ccc(NCCC[C@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC001472867314 1334574227 /nfs/dbraw/zinc/57/42/27/1334574227.db2.gz KGZLLUYPLCSYGU-LBPRGKRZSA-N 0 0 339.417 2.661 10 5 EFBERN Cc1nc(NCc2sncc2Br)ncc1[N+](=O)[O-] ZINC001472889410 1334606549 /nfs/dbraw/zinc/60/65/49/1334606549.db2.gz VGFFRGUHMQHWQO-UHFFFAOYSA-N 0 0 330.167 2.524 10 5 EFBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC001472901157 1334612308 /nfs/dbraw/zinc/61/23/08/1334612308.db2.gz AJKPPYBHJUZFLZ-CYBMUJFWSA-N 0 0 339.254 2.927 10 5 EFBERN CCCCOC(=O)C(C)(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000848327810 1334646957 /nfs/dbraw/zinc/64/69/57/1334646957.db2.gz IPGLGOIKYFRHSO-UHFFFAOYSA-N 0 0 347.371 2.928 10 5 EFBERN Cn1nc(Cl)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC001355025701 1334659351 /nfs/dbraw/zinc/65/93/51/1334659351.db2.gz XSNSXTZARKARQD-UHFFFAOYSA-N 0 0 329.143 2.565 10 5 EFBERN CCc1ncc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)n1 ZINC001355055851 1334682335 /nfs/dbraw/zinc/68/23/35/1334682335.db2.gz NXBFEDXZGZUFCE-UHFFFAOYSA-N 0 0 336.735 2.862 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000848362181 1334695357 /nfs/dbraw/zinc/69/53/57/1334695357.db2.gz LPQGXPUSSLQRSW-GFCCVEGCSA-N 0 0 333.388 2.741 10 5 EFBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC2(CCCCC2)O1 ZINC000848361936 1334695504 /nfs/dbraw/zinc/69/55/04/1334695504.db2.gz WWDARIZKFHFOBD-GFCCVEGCSA-N 0 0 333.388 2.741 10 5 EFBERN CC(C)(CCC(=O)N[C@H](Cc1ccccc1)c1ncco1)[N+](=O)[O-] ZINC000848362586 1334696678 /nfs/dbraw/zinc/69/66/78/1334696678.db2.gz SEXJNPHADCOOIF-CQSZACIVSA-N 0 0 331.372 2.910 10 5 EFBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1c[nH]nc1C ZINC000848369820 1334698401 /nfs/dbraw/zinc/69/84/01/1334698401.db2.gz RSNLUQIRQAGZLX-BENRWUELSA-N 0 0 328.372 2.779 10 5 EFBERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1c[nH]nc1C ZINC000848369821 1334698484 /nfs/dbraw/zinc/69/84/84/1334698484.db2.gz RSNLUQIRQAGZLX-ZRDIBKRKSA-N 0 0 328.372 2.779 10 5 EFBERN CC(=O)O[C@H]1CCCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000848372745 1334699565 /nfs/dbraw/zinc/69/95/65/1334699565.db2.gz DXMQJZPCPJNLSX-DMIOIOJGSA-N 0 0 332.356 2.552 10 5 EFBERN CC(C)N(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C1CCCC1 ZINC001355157348 1334708412 /nfs/dbraw/zinc/70/84/12/1334708412.db2.gz LULXAIPPVJNLNP-UHFFFAOYSA-N 0 0 343.387 2.969 10 5 EFBERN Cc1nsc(C)c1Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000848430812 1334718464 /nfs/dbraw/zinc/71/84/64/1334718464.db2.gz IARKVZANQJLZPM-UHFFFAOYSA-N 0 0 331.195 2.984 10 5 EFBERN Cc1c(OC(=O)c2cc(C(F)(F)F)nn2C)cccc1[N+](=O)[O-] ZINC001355328235 1334742193 /nfs/dbraw/zinc/74/21/93/1334742193.db2.gz AECHCEXNKQYFRX-UHFFFAOYSA-N 0 0 329.234 2.875 10 5 EFBERN CON(CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)CC(C)(C)C ZINC000848487184 1334743178 /nfs/dbraw/zinc/74/31/78/1334743178.db2.gz PAWQBXHOSRCZJU-OAHLLOKOSA-N 0 0 335.404 2.778 10 5 EFBERN CON(CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)CC(C)(C)C ZINC000848487183 1334743226 /nfs/dbraw/zinc/74/32/26/1334743226.db2.gz PAWQBXHOSRCZJU-HNNXBMFYSA-N 0 0 335.404 2.778 10 5 EFBERN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCO[C@@H](C3CCC3)C2)c1 ZINC000848488130 1334744235 /nfs/dbraw/zinc/74/42/35/1334744235.db2.gz GKVPBZNIQWNLHD-GOSISDBHSA-N 0 0 342.399 2.917 10 5 EFBERN CC(C)OCCCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848587428 1334807081 /nfs/dbraw/zinc/80/70/81/1334807081.db2.gz UMOVZTYXIVSSTI-UHFFFAOYSA-N 0 0 346.330 2.888 10 5 EFBERN CS[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848590643 1334808332 /nfs/dbraw/zinc/80/83/32/1334808332.db2.gz OHJHTAQCVLHGPT-LLVKDONJSA-N 0 0 332.328 2.530 10 5 EFBERN CC[C@@H]1C[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCO1 ZINC000848593673 1334808946 /nfs/dbraw/zinc/80/89/46/1334808946.db2.gz QQNXWXIQUCEWNS-CMPLNLGQSA-N 0 0 344.314 2.640 10 5 EFBERN C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001355552365 1334814515 /nfs/dbraw/zinc/81/45/15/1334814515.db2.gz CIWHTGHLZCWTCR-NSHDSACASA-N 0 0 339.355 2.694 10 5 EFBERN O=C(c1cn(-c2ccccc2)cn1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001355592206 1334824363 /nfs/dbraw/zinc/82/43/63/1334824363.db2.gz ZLROVMMMTRULQH-UHFFFAOYSA-N 0 0 348.362 2.979 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)CCCNC(=O)OC(C)(C)C ZINC000848665970 1334831094 /nfs/dbraw/zinc/83/10/94/1334831094.db2.gz RGJUFRKDTKARDN-UHFFFAOYSA-N 0 0 339.392 2.954 10 5 EFBERN O=[N+]([O-])c1cnn(CCNc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC000848672459 1334833830 /nfs/dbraw/zinc/83/38/30/1334833830.db2.gz UGKLKZXHQQOGDO-UHFFFAOYSA-N 0 0 335.673 2.971 10 5 EFBERN Cc1nc(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)co1 ZINC000848685238 1334839445 /nfs/dbraw/zinc/83/94/45/1334839445.db2.gz BCSGJVYKMDHUCX-UHFFFAOYSA-N 0 0 331.328 2.848 10 5 EFBERN COc1cc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1C ZINC001355645400 1334839881 /nfs/dbraw/zinc/83/98/81/1334839881.db2.gz SFPLUMAPCQPXOO-UHFFFAOYSA-N 0 0 332.331 2.910 10 5 EFBERN CCOc1cc(C(=O)OCc2coc(C)n2)c([N+](=O)[O-])cc1OC ZINC000848688933 1334842929 /nfs/dbraw/zinc/84/29/29/1334842929.db2.gz QMBKQBQNYNRHGC-UHFFFAOYSA-N 0 0 336.300 2.656 10 5 EFBERN Cc1ccn2c(c1)nnc2NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001355723258 1334857022 /nfs/dbraw/zinc/85/70/22/1334857022.db2.gz VJCRHMGOJGZKHC-ZIAGYGMSSA-N 0 0 337.339 2.688 10 5 EFBERN COc1cccc([N+](=O)[O-])c1N(C)Cc1csc(C(C)(C)O)n1 ZINC000848720490 1334858920 /nfs/dbraw/zinc/85/89/20/1334858920.db2.gz YQTUTKCDMZDHIG-UHFFFAOYSA-N 0 0 337.401 2.924 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC(=O)N2 ZINC001355809463 1334877668 /nfs/dbraw/zinc/87/76/68/1334877668.db2.gz HNBIGMYCXBPPMK-UHFFFAOYSA-N 0 0 341.323 2.629 10 5 EFBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccnc(-n2cccc2)c1 ZINC001355810882 1334877702 /nfs/dbraw/zinc/87/77/02/1334877702.db2.gz UDEXQGGTNUAKAL-UHFFFAOYSA-N 0 0 336.351 2.753 10 5 EFBERN COC(=O)C1(N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CCCC1 ZINC001355814197 1334878510 /nfs/dbraw/zinc/87/85/10/1334878510.db2.gz UDHJIUQUGJQESH-UHFFFAOYSA-N 0 0 338.335 2.600 10 5 EFBERN CCN1C[C@@H](COC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)OC1=O ZINC000848761667 1334879770 /nfs/dbraw/zinc/87/97/70/1334879770.db2.gz UUYRUUDGLULONH-VIFPVBQESA-N 0 0 342.735 2.554 10 5 EFBERN CC(C)Oc1ccc(COC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000848786387 1334897463 /nfs/dbraw/zinc/89/74/63/1334897463.db2.gz GTMJCQVHBHJYQI-UHFFFAOYSA-N 0 0 331.328 2.716 10 5 EFBERN CNc1nccc(C(=O)O[C@@H](C)c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000848789535 1334898717 /nfs/dbraw/zinc/89/87/17/1334898717.db2.gz BGHRSUYACFCSEZ-JTQLQIEISA-N 0 0 331.328 2.958 10 5 EFBERN CNc1nccc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)c1[N+](=O)[O-] ZINC000848789373 1334898942 /nfs/dbraw/zinc/89/89/42/1334898942.db2.gz CPLHSYHUIDEBKT-QMMMGPOBSA-N 0 0 349.347 2.630 10 5 EFBERN O=C1O[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000848790904 1334900551 /nfs/dbraw/zinc/90/05/51/1334900551.db2.gz MQDSWAMZGFXCGN-CYBMUJFWSA-N 0 0 328.328 2.538 10 5 EFBERN O=C1O[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])CN1C1CC1 ZINC000848793392 1334901679 /nfs/dbraw/zinc/90/16/79/1334901679.db2.gz KRGKZEOJOZZPFQ-NSHDSACASA-N 0 0 328.328 2.538 10 5 EFBERN CC(C)(C)n1ccc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000848809809 1334914415 /nfs/dbraw/zinc/91/44/15/1334914415.db2.gz PBQOIOGZGDWKBH-UHFFFAOYSA-N 0 0 333.344 2.782 10 5 EFBERN COc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001356052048 1334942248 /nfs/dbraw/zinc/94/22/48/1334942248.db2.gz IBPNIPPCJYGHQO-UHFFFAOYSA-N 0 0 348.330 2.860 10 5 EFBERN CCN(C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H](C)C(C)C ZINC001356059600 1334943168 /nfs/dbraw/zinc/94/31/68/1334943168.db2.gz FUUWQDKPILHEJX-LBPRGKRZSA-N 0 0 331.376 2.682 10 5 EFBERN COc1cc(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])ccc1C ZINC001356113106 1334959237 /nfs/dbraw/zinc/95/92/37/1334959237.db2.gz WGRZKJYREFINDP-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN COc1ccc(CN[C@H](C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000848921185 1334988479 /nfs/dbraw/zinc/98/84/79/1334988479.db2.gz PRCFDWJSWDOLDI-CYBMUJFWSA-N 0 0 344.367 2.825 10 5 EFBERN O=C(c1cnc(-c2ccccn2)nc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001356243586 1335000820 /nfs/dbraw/zinc/00/08/20/1335000820.db2.gz LJZGOROURLZXHL-UHFFFAOYSA-N 0 0 347.334 2.650 10 5 EFBERN Cc1ccccc1C1=NO[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001356389547 1335029918 /nfs/dbraw/zinc/02/99/18/1335029918.db2.gz WSLURVXZWMFOBO-QGZVFWFLSA-N 0 0 339.351 2.713 10 5 EFBERN Cc1cc(Cl)c(C(=O)Nc2ccnc3ccnn32)cc1[N+](=O)[O-] ZINC001356418959 1335033917 /nfs/dbraw/zinc/03/39/17/1335033917.db2.gz JMRLQFWPIVNVEC-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN COc1cccn2ncc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)c12 ZINC001357330882 1335301347 /nfs/dbraw/zinc/30/13/47/1335301347.db2.gz CVVGOHYWSQUSFO-UHFFFAOYSA-N 0 0 330.275 2.643 10 5 EFBERN COC(=O)c1coc(/C=C\C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC001357454993 1335308383 /nfs/dbraw/zinc/30/83/83/1335308383.db2.gz NPHXECZLMIGKFD-XQRVVYSFSA-N 0 0 346.295 2.635 10 5 EFBERN C[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CCCOC1 ZINC001357452807 1335308446 /nfs/dbraw/zinc/30/84/46/1335308446.db2.gz CRTTUYSEARIQHH-DGCLKSJQSA-N 0 0 343.383 2.875 10 5 EFBERN Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1C(N)=O ZINC001357492053 1335310195 /nfs/dbraw/zinc/31/01/95/1335310195.db2.gz GTRLIBALICYBHL-UONOGXRCSA-N 0 0 339.351 2.744 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)COCc2ccccc2)n1 ZINC001357558225 1335315503 /nfs/dbraw/zinc/31/55/03/1335315503.db2.gz HEHHVBHFIOHENK-CYBMUJFWSA-N 0 0 343.383 2.881 10 5 EFBERN Cc1ccc(OCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001357725304 1335328770 /nfs/dbraw/zinc/32/87/70/1335328770.db2.gz PGVMMTIOROKZPY-UHFFFAOYSA-N 0 0 332.331 2.780 10 5 EFBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ncc(Cl)cn1 ZINC001357756630 1335331229 /nfs/dbraw/zinc/33/12/29/1335331229.db2.gz SWFKKLNENJEWAY-UHFFFAOYSA-N 0 0 341.154 2.664 10 5 EFBERN O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001357755847 1335331238 /nfs/dbraw/zinc/33/12/38/1335331238.db2.gz QMWFTZPENWCKMW-RDTXWAMCSA-N 0 0 338.319 2.548 10 5 EFBERN Cn1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c(-c2ccco2)n1 ZINC001357755442 1335331303 /nfs/dbraw/zinc/33/13/03/1335331303.db2.gz LCUQWWJFRRPNDR-UHFFFAOYSA-N 0 0 327.296 2.945 10 5 EFBERN COc1ccc(CNC(=O)/C(C)=C\c2ccncc2)cc1[N+](=O)[O-] ZINC001358150020 1335363336 /nfs/dbraw/zinc/36/33/36/1335363336.db2.gz LTVYHFABGXQXNV-XFXZXTDPSA-N 0 0 327.340 2.718 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCc1nc2cccnc2[nH]1 ZINC001358166046 1335364501 /nfs/dbraw/zinc/36/45/01/1335364501.db2.gz JTDZYVLYNQFZNB-UHFFFAOYSA-N 0 0 330.275 2.671 10 5 EFBERN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)c1ccc[nH]1 ZINC001358192983 1335365713 /nfs/dbraw/zinc/36/57/13/1335365713.db2.gz XUCQCGNKXSYZDH-SNVBAGLBSA-N 0 0 343.318 2.739 10 5 EFBERN C[C@@H]1CC[C@H](OC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC001358216879 1335366892 /nfs/dbraw/zinc/36/68/92/1335366892.db2.gz HXJSXACKLSWTPL-RISCZKNCSA-N 0 0 330.344 2.580 10 5 EFBERN CC(C)(C)c1nc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)co1 ZINC001358330276 1335372456 /nfs/dbraw/zinc/37/24/56/1335372456.db2.gz XENXQJLBWPJVAS-UHFFFAOYSA-N 0 0 347.327 2.676 10 5 EFBERN C[C@H]1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000849392947 1335605625 /nfs/dbraw/zinc/60/56/25/1335605625.db2.gz WRWQXPGSJPWSDZ-WFASDCNBSA-N 0 0 347.396 2.762 10 5 EFBERN C[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000849441424 1335615862 /nfs/dbraw/zinc/61/58/62/1335615862.db2.gz DXUWTJDVNDNSEW-TVQRCGJNSA-N 0 0 338.410 2.663 10 5 EFBERN C[C@@]1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000849460037 1335623320 /nfs/dbraw/zinc/62/33/20/1335623320.db2.gz DAEHLXAANKMBKZ-JTQLQIEISA-N 0 0 340.735 2.572 10 5 EFBERN O=[N+]([O-])c1cnc(N2CC(c3ccccn3)C2)c(Br)c1 ZINC001559258591 1335650734 /nfs/dbraw/zinc/65/07/34/1335650734.db2.gz KXMMINFAYGTXOE-UHFFFAOYSA-N 0 0 335.161 2.751 10 5 EFBERN Cc1cc(C(=O)NCC(=O)OC[C@@H]2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000849619515 1335662036 /nfs/dbraw/zinc/66/20/36/1335662036.db2.gz LXHQXZZFYYCRIG-VNHYZAJKSA-N 0 0 346.383 2.612 10 5 EFBERN CCc1nnc([C@H](C)OC(=O)CSc2ccccc2[N+](=O)[O-])[nH]1 ZINC000849624700 1335664142 /nfs/dbraw/zinc/66/41/42/1335664142.db2.gz NMPLUNNYVMVRRF-VIFPVBQESA-N 0 0 336.373 2.672 10 5 EFBERN CC1(C)C[C@@H](OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CO1 ZINC000849627960 1335665389 /nfs/dbraw/zinc/66/53/89/1335665389.db2.gz QAOQCBKLVYHKLH-CQSZACIVSA-N 0 0 348.399 2.922 10 5 EFBERN COC[C@@H](COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)OC ZINC000849660391 1335683423 /nfs/dbraw/zinc/68/34/23/1335683423.db2.gz RLWJHOZGHPSXBF-NSHDSACASA-N 0 0 325.342 2.628 10 5 EFBERN O=C(OCCO[C@H]1CC1(F)F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000849666221 1335686949 /nfs/dbraw/zinc/68/69/49/1335686949.db2.gz JVOHTPFQWWKNPL-LBPRGKRZSA-N 0 0 326.255 2.657 10 5 EFBERN CCc1nnc([C@H](C)OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[nH]1 ZINC000849666974 1335687092 /nfs/dbraw/zinc/68/70/92/1335687092.db2.gz TZJWDTYXUFHTRQ-QMMMGPOBSA-N 0 0 329.316 2.675 10 5 EFBERN CCc1nnc([C@@H](C)OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[nH]1 ZINC000849666973 1335687235 /nfs/dbraw/zinc/68/72/35/1335687235.db2.gz TZJWDTYXUFHTRQ-MRVPVSSYSA-N 0 0 329.316 2.675 10 5 EFBERN CC1(C)C[C@H](OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CO1 ZINC000849689969 1335700155 /nfs/dbraw/zinc/70/01/55/1335700155.db2.gz APKZBRSKUSMUOT-AWEZNQCLSA-N 0 0 331.328 2.505 10 5 EFBERN CCc1nnc([C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000849702307 1335706958 /nfs/dbraw/zinc/70/69/58/1335706958.db2.gz CKGZCZDGFAKFQZ-QMMMGPOBSA-N 0 0 329.316 2.675 10 5 EFBERN C[C@H](C(=O)OCCO[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000849756545 1335737473 /nfs/dbraw/zinc/73/74/73/1335737473.db2.gz JQJVAEQKCLVWAP-QPUJVOFHSA-N 0 0 333.262 2.805 10 5 EFBERN CO[C@H](COC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCC1 ZINC000849757564 1335738906 /nfs/dbraw/zinc/73/89/06/1335738906.db2.gz PTCJUEBTUFGXHE-GFCCVEGCSA-N 0 0 337.357 2.571 10 5 EFBERN CCc1nnc([C@H](C)OC(=O)c2cccc(SC)c2[N+](=O)[O-])[nH]1 ZINC000849759293 1335740402 /nfs/dbraw/zinc/74/04/02/1335740402.db2.gz GVDSYADQOCYFCB-QMMMGPOBSA-N 0 0 336.373 2.915 10 5 EFBERN O=C(OCc1ccc(F)cc1[N+](=O)[O-])c1cnc(OCC2CC2)cn1 ZINC000849773115 1335747623 /nfs/dbraw/zinc/74/76/23/1335747623.db2.gz AJDOREWBEFTLSB-UHFFFAOYSA-N 0 0 347.302 2.670 10 5 EFBERN CO[C@@H](COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CCC1 ZINC000849781143 1335753261 /nfs/dbraw/zinc/75/32/61/1335753261.db2.gz FTSNKXWSIUVAQM-HNNXBMFYSA-N 0 0 340.351 2.772 10 5 EFBERN CO[C@H](COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000849790310 1335757132 /nfs/dbraw/zinc/75/71/32/1335757132.db2.gz XZQRUHHYNCOBKA-MRXNPFEDSA-N 0 0 335.356 2.916 10 5 EFBERN O=C(OCCO[C@@H]1CC1(F)F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000849807646 1335764432 /nfs/dbraw/zinc/76/44/32/1335764432.db2.gz SHZYEOVVPSMRHR-YNEHKIRRSA-N 0 0 327.283 2.666 10 5 EFBERN CC(C)Oc1cc(C(=O)OCCO[C@@H]2CC2(F)F)ccc1[N+](=O)[O-] ZINC000849808037 1335764914 /nfs/dbraw/zinc/76/49/14/1335764914.db2.gz XHHOUPAPTPJWMJ-CYBMUJFWSA-N 0 0 345.298 2.963 10 5 EFBERN CNc1nccc(C(=O)OC[C@@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000849820681 1335767835 /nfs/dbraw/zinc/76/78/35/1335767835.db2.gz GQXBZBBCQXVLIM-CYBMUJFWSA-N 0 0 337.376 2.784 10 5 EFBERN Cc1ccn([C@H](C)CC(=O)OCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000849841890 1335774302 /nfs/dbraw/zinc/77/43/02/1335774302.db2.gz SNKQHOVLBTVQBT-CYBMUJFWSA-N 0 0 333.344 2.673 10 5 EFBERN CC(C)(C)OC(=O)N1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2)C1 ZINC000849856163 1335781699 /nfs/dbraw/zinc/78/16/99/1335781699.db2.gz QCCRCANZMMWVJX-CQSZACIVSA-N 0 0 338.360 2.610 10 5 EFBERN CO[C@@H](COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)[C@H]1CCOC1 ZINC000849927793 1335809392 /nfs/dbraw/zinc/80/93/92/1335809392.db2.gz CFCGMARZXAFDKF-BQBZGAKWSA-N 0 0 339.241 2.582 10 5 EFBERN CCC[C@H](CC)NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001359813366 1335927157 /nfs/dbraw/zinc/92/71/57/1335927157.db2.gz SLGAOFJMQUDMKQ-AWEZNQCLSA-N 0 0 331.376 2.543 10 5 EFBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ocnc1C(F)F ZINC001359893608 1335929332 /nfs/dbraw/zinc/92/93/32/1335929332.db2.gz NGVRGIBERQEDIO-UHFFFAOYSA-N 0 0 349.253 2.958 10 5 EFBERN Cc1cnc(COC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)cn1 ZINC001359919387 1335930166 /nfs/dbraw/zinc/93/01/66/1335930166.db2.gz FIJJPHUWZOHRFQ-UHFFFAOYSA-N 0 0 338.323 2.786 10 5 EFBERN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)[C@H]1Cc2cccnc2C1 ZINC001359898191 1335930275 /nfs/dbraw/zinc/93/02/75/1335930275.db2.gz SYBWMCOHOLLWPG-ZDUSSCGKSA-N 0 0 349.350 2.529 10 5 EFBERN COc1cc(C(=O)NC[C@H](C)Oc2ccccc2)c([N+](=O)[O-])cc1F ZINC001360359833 1335939825 /nfs/dbraw/zinc/93/98/25/1335939825.db2.gz KBZMKOUTRRTNTM-NSHDSACASA-N 0 0 348.330 2.940 10 5 EFBERN COc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)cc1 ZINC001360435252 1335940992 /nfs/dbraw/zinc/94/09/92/1335940992.db2.gz BMPMWXPZGUDMJL-AWEZNQCLSA-N 0 0 341.367 2.937 10 5 EFBERN C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001360662876 1335944912 /nfs/dbraw/zinc/94/49/12/1335944912.db2.gz BVMAXAHCKDDASM-QWHCGFSZSA-N 0 0 343.387 2.826 10 5 EFBERN COC(=O)c1cc(NC(=O)c2ccnn2C2CCC2)cc([N+](=O)[O-])c1 ZINC001360852815 1335948978 /nfs/dbraw/zinc/94/89/78/1335948978.db2.gz QSYPKFDTKHPMHC-UHFFFAOYSA-N 0 0 344.327 2.555 10 5 EFBERN CC(C)CCCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001360906436 1335949508 /nfs/dbraw/zinc/94/95/08/1335949508.db2.gz DZQYQCZJJIFVOU-UHFFFAOYSA-N 0 0 342.417 2.554 10 5 EFBERN O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1ncon1 ZINC001361046252 1335954277 /nfs/dbraw/zinc/95/42/77/1335954277.db2.gz AJOUUSJPHSFGRV-ZNMIVQPWSA-N 0 0 342.355 2.835 10 5 EFBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C)c3cc(F)ccc32)n1 ZINC001361104238 1335954656 /nfs/dbraw/zinc/95/46/56/1335954656.db2.gz KXEDCMLNXGILNJ-UHFFFAOYSA-N 0 0 330.319 2.534 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)cc1F ZINC001361150885 1335955740 /nfs/dbraw/zinc/95/57/40/1335955740.db2.gz WCJHMUCRXHFJKQ-UHFFFAOYSA-N 0 0 335.266 2.533 10 5 EFBERN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cn1C ZINC001361135750 1335955778 /nfs/dbraw/zinc/95/57/78/1335955778.db2.gz FPGBCKLBWNGMDP-UHFFFAOYSA-N 0 0 349.318 2.810 10 5 EFBERN CN(CC(=O)NC1(C(F)(F)F)CCC1)c1ccccc1[N+](=O)[O-] ZINC001361220632 1335957958 /nfs/dbraw/zinc/95/79/58/1335957958.db2.gz XXEOJNHRRGDTRN-UHFFFAOYSA-N 0 0 331.294 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ZINC001450701460 1392705710 /nfs/dbraw/zinc/70/57/10/1392705710.db2.gz FWWVAPDABRYLFV-UHFFFAOYSA-N 0 0 345.380 2.880 10 5 EFBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn2cc(C)cnc12 ZINC001450719349 1392715240 /nfs/dbraw/zinc/71/52/40/1392715240.db2.gz YWLRDUCXYGXQRC-UHFFFAOYSA-N 0 0 341.327 2.597 10 5 EFBERN Nc1c(C(=O)N[C@@H](CO)C2CCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001450770242 1392741774 /nfs/dbraw/zinc/74/17/74/1392741774.db2.gz QERQUKOLYBZDIX-HNNXBMFYSA-N 0 0 343.383 2.611 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NN1CCc2ccccc2C1 ZINC001452970191 1392912966 /nfs/dbraw/zinc/91/29/66/1392912966.db2.gz KGFNABWHDNAVAP-UHFFFAOYSA-N 0 0 329.331 2.745 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC001454360384 1392988308 /nfs/dbraw/zinc/98/83/08/1392988308.db2.gz GONORDSRECROAA-LBPRGKRZSA-N 0 0 327.340 2.512 10 5 EFBERN O=C(NCC(=O)c1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])o1 ZINC001454410868 1393007908 /nfs/dbraw/zinc/00/79/08/1393007908.db2.gz VPEKRUBKDACLHA-UHFFFAOYSA-N 0 0 326.667 2.593 10 5 EFBERN O=C(N[C@H]1Cc2ccccc2NC1=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001454624034 1393075598 /nfs/dbraw/zinc/07/55/98/1393075598.db2.gz AKUFZSNZGOXIGP-LBPRGKRZSA-N 0 0 345.742 2.541 10 5 EFBERN O=C(NCc1cc(Cl)cc(Cl)c1F)c1[nH]ncc1[N+](=O)[O-] ZINC001454794596 1394226691 /nfs/dbraw/zinc/22/66/91/1394226691.db2.gz WPEWFOBBZHIDED-UHFFFAOYSA-N 0 0 333.106 2.694 10 5 EFBERN Cc1ccc(CNC(=O)CCCc2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC001454903960 1394381257 /nfs/dbraw/zinc/38/12/57/1394381257.db2.gz ZVHSAIZMKCHGKT-UHFFFAOYSA-N 0 0 344.371 2.803 10 5 EFBERN C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ccnn1C ZINC001454968684 1394487912 /nfs/dbraw/zinc/48/79/12/1394487912.db2.gz JPAAJANQDFEWRE-SSDOTTSWSA-N 0 0 326.715 2.612 10 5 EFBERN CNc1c(C(=O)Nc2nnc([C@H]3CCCO3)s2)cccc1[N+](=O)[O-] ZINC001454985436 1394497240 /nfs/dbraw/zinc/49/72/40/1394497240.db2.gz FQKYAYMIZWWEIT-SNVBAGLBSA-N 0 0 349.372 2.592 10 5 EFBERN C[C@@H](C(=O)NCc1cc(C(F)(F)F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001455059007 1394539725 /nfs/dbraw/zinc/53/97/25/1394539725.db2.gz WXGLIUSMBDSXDU-MRVPVSSYSA-N 0 0 342.277 2.757 10 5 EFBERN CN(CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccn1 ZINC001455154086 1394569152 /nfs/dbraw/zinc/56/91/52/1394569152.db2.gz OLFADGBSLJPZNC-UHFFFAOYSA-N 0 0 348.790 2.900 10 5 EFBERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1cc(C2CC2)no1 ZINC001455581988 1394614419 /nfs/dbraw/zinc/61/44/19/1394614419.db2.gz IVSZOZXJUOAONO-UHFFFAOYSA-N 0 0 343.339 2.740 10 5 EFBERN CCOc1ccc(C(=O)NCc2c[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC001456346506 1394672611 /nfs/dbraw/zinc/67/26/11/1394672611.db2.gz MQSDHZBUDVGQMK-UHFFFAOYSA-N 0 0 332.360 2.770 10 5 EFBERN CCCc1cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC001546082217 1394685887 /nfs/dbraw/zinc/68/58/87/1394685887.db2.gz KPGZGEVLLRNPTF-UHFFFAOYSA-N 0 0 331.328 2.909 10 5 EFBERN CC(F)(F)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001456426005 1394689516 /nfs/dbraw/zinc/68/95/16/1394689516.db2.gz NERDOOPUNDDBIV-UHFFFAOYSA-N 0 0 347.749 2.661 10 5 EFBERN COc1ccc([C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C2CCC2)cc1 ZINC001456671324 1394757167 /nfs/dbraw/zinc/75/71/67/1394757167.db2.gz LWJVBWRZSXXRGZ-AWEZNQCLSA-N 0 0 330.344 2.598 10 5 EFBERN Cc1ccc(N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])nn1 ZINC001456727890 1394782558 /nfs/dbraw/zinc/78/25/58/1394782558.db2.gz IYWQUCNBVSPCNG-UHFFFAOYSA-N 0 0 340.261 2.989 10 5 EFBERN Nc1ccc(C(=O)NCCCOc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001456897178 1394855325 /nfs/dbraw/zinc/85/53/25/1394855325.db2.gz CIOIIALFSCCFIJ-UHFFFAOYSA-N 0 0 333.319 2.515 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC001457049332 1394942965 /nfs/dbraw/zinc/94/29/65/1394942965.db2.gz YOLJRRTYNPJXGB-JTQLQIEISA-N 0 0 349.416 2.603 10 5 EFBERN CCOc1ccc(C(=O)Nc2c3n[nH]nc3ccc2C)cc1[N+](=O)[O-] ZINC001457146256 1394999662 /nfs/dbraw/zinc/99/96/62/1394999662.db2.gz BGCQGQHGBFIANQ-UHFFFAOYSA-N 0 0 341.327 2.826 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2ccccc2)CC1 ZINC001457215880 1395032222 /nfs/dbraw/zinc/03/22/22/1395032222.db2.gz NEBJKBLJAPBIRR-QGZVFWFLSA-N 0 0 341.367 2.781 10 5 EFBERN COC(=O)/C=C/[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001457281288 1395053716 /nfs/dbraw/zinc/05/37/16/1395053716.db2.gz VFZSUEWZWMQWOB-KGGZQZJCSA-N 0 0 347.154 2.749 10 5 EFBERN Cc1ccccc1C1=NO[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001457289056 1395055409 /nfs/dbraw/zinc/05/54/09/1395055409.db2.gz KVXMKWGMOHNHEC-HNNXBMFYSA-N 0 0 340.339 2.738 10 5 EFBERN Cc1nc(NC(=O)C[C@H]2C(=O)Nc3c2cccc3F)ccc1[N+](=O)[O-] ZINC001457289111 1395055454 /nfs/dbraw/zinc/05/54/54/1395055454.db2.gz KXAHUZSAGUQNCN-SNVBAGLBSA-N 0 0 344.302 2.502 10 5 EFBERN CC(C)c1n[nH]c(C(=O)N2CCCC[C@]23CCCOC3)c1[N+](=O)[O-] ZINC001457336128 1395069587 /nfs/dbraw/zinc/06/95/87/1395069587.db2.gz UXEGPZUCLLHVJM-MRXNPFEDSA-N 0 0 336.392 2.617 10 5 EFBERN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1nc2c(s1)CCCC2=O ZINC001457373005 1395087034 /nfs/dbraw/zinc/08/70/34/1395087034.db2.gz BORDVTSSVGAXFR-UHFFFAOYSA-N 0 0 349.343 2.891 10 5 EFBERN CCC[C@@H]1CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001457710354 1395300760 /nfs/dbraw/zinc/30/07/60/1395300760.db2.gz CTIWZKATODRLKT-CYBMUJFWSA-N 0 0 343.387 2.828 10 5 EFBERN O=C(N[C@H](CO)c1cccc(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001457737736 1395308837 /nfs/dbraw/zinc/30/88/37/1395308837.db2.gz BSCXCZMENGRCDK-CYBMUJFWSA-N 0 0 338.722 2.851 10 5 EFBERN Cn1nc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1C(F)F ZINC001457915551 1395384944 /nfs/dbraw/zinc/38/49/44/1395384944.db2.gz KGIFCKYOMJEAML-UHFFFAOYSA-N 0 0 344.705 2.849 10 5 EFBERN COc1cncc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1C ZINC001457919457 1395386025 /nfs/dbraw/zinc/38/60/25/1395386025.db2.gz QMCUGYPVXFTMTK-UHFFFAOYSA-N 0 0 335.747 2.890 10 5 EFBERN O=C(COC(F)(F)F)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC001457994348 1395394163 /nfs/dbraw/zinc/39/41/63/1395394163.db2.gz LYACGUKPCJMKIP-UHFFFAOYSA-N 0 0 343.055 2.832 10 5 EFBERN NC(=O)c1cc(Oc2ccc3ccc(=O)oc3c2)ccc1[N+](=O)[O-] ZINC001458063013 1395402457 /nfs/dbraw/zinc/40/24/57/1395402457.db2.gz TXPJOYDPSNFLHB-UHFFFAOYSA-N 0 0 326.264 2.592 10 5 EFBERN Cn1c2ccccc2c(Sc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])c1=O ZINC001458085301 1395404985 /nfs/dbraw/zinc/40/49/85/1395404985.db2.gz IYYLUMBTFDHLOW-UHFFFAOYSA-N 0 0 343.368 2.593 10 5 EFBERN CCNC(=O)c1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001458105315 1395407495 /nfs/dbraw/zinc/40/74/95/1395407495.db2.gz OWYUACIMKIYQBP-UHFFFAOYSA-N 0 0 347.346 2.588 10 5 EFBERN Cc1ccccc1C1(CNc2nn(C)cc2[N+](=O)[O-])CCOCC1 ZINC001458124583 1395410736 /nfs/dbraw/zinc/41/07/36/1395410736.db2.gz QRHCCVBKXYWZDU-UHFFFAOYSA-N 0 0 330.388 2.797 10 5 EFBERN CCOc1cc2c(cc1CNc1nn(C)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC001458156629 1395416088 /nfs/dbraw/zinc/41/60/88/1395416088.db2.gz KMVBYKGBROWSNV-SNVBAGLBSA-N 0 0 332.360 2.663 10 5 EFBERN NC(=O)CC[C@@H]1CCCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001458158669 1395416336 /nfs/dbraw/zinc/41/63/36/1395416336.db2.gz YXGQKDFTAQIBNJ-NSHDSACASA-N 0 0 346.362 2.764 10 5 EFBERN NC(=O)c1cc(NC[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC001458172452 1395419777 /nfs/dbraw/zinc/41/97/77/1395419777.db2.gz LWLGWWWOFJUSIB-LLVKDONJSA-N 0 0 327.340 2.672 10 5 EFBERN COC(=O)NCc1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC001458181878 1395421646 /nfs/dbraw/zinc/42/16/46/1395421646.db2.gz KNSSYEPEQAMSMY-UHFFFAOYSA-N 0 0 349.318 2.826 10 5 EFBERN COc1cc(Nc2ccn(CC(F)F)n2)c([N+](=O)[O-])cc1OC ZINC001458232866 1395428507 /nfs/dbraw/zinc/42/85/07/1395428507.db2.gz OLOOBYCHKXCUIO-UHFFFAOYSA-N 0 0 328.275 2.817 10 5 EFBERN COC(=O)C1(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCCC1 ZINC001458236661 1395428934 /nfs/dbraw/zinc/42/89/34/1395428934.db2.gz IEERTMOKBKNWEU-UHFFFAOYSA-N 0 0 347.346 2.849 10 5 EFBERN COC(C)(C)CN(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001458254266 1395432240 /nfs/dbraw/zinc/43/22/40/1395432240.db2.gz NROWAUOLUZKUGX-UHFFFAOYSA-N 0 0 334.332 2.912 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(NCc2cccc(F)n2)c2ccccc21 ZINC001458269764 1395434577 /nfs/dbraw/zinc/43/45/77/1395434577.db2.gz QPDKOCYJLQJLCC-UHFFFAOYSA-N 0 0 328.303 2.593 10 5 EFBERN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@@H](C(C)C)C2)cc1C ZINC001458283780 1395437443 /nfs/dbraw/zinc/43/74/43/1395437443.db2.gz VWTXUBJVIQOTFP-MRXNPFEDSA-N 0 0 336.388 2.941 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ncc3c(F)cccn31)CC2 ZINC001458295616 1395439708 /nfs/dbraw/zinc/43/97/08/1395439708.db2.gz XOUFKIYQDUYGNZ-UHFFFAOYSA-N 0 0 340.314 2.893 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(N(C)CCc3cnccn3)c2c1 ZINC001458291085 1395440056 /nfs/dbraw/zinc/44/00/56/1395440056.db2.gz QMQOFDGDJQOBEC-UHFFFAOYSA-N 0 0 339.355 2.621 10 5 EFBERN CC1(CCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])OCCO1 ZINC001458308769 1395442638 /nfs/dbraw/zinc/44/26/38/1395442638.db2.gz FZCOFMXVHOBUOZ-UHFFFAOYSA-N 0 0 337.763 2.783 10 5 EFBERN COc1cc(C)nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC001458321185 1395446108 /nfs/dbraw/zinc/44/61/08/1395446108.db2.gz HFROVAKHBUUPHT-UHFFFAOYSA-N 0 0 336.735 2.916 10 5 EFBERN Cc1nnc([C@H](C)Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])[nH]1 ZINC001458372942 1395454911 /nfs/dbraw/zinc/45/49/11/1395454911.db2.gz WWTNIBGTBCCBGF-ZETCQYMHSA-N 0 0 332.751 2.818 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NC3CCC(OC)CC3)c2c1 ZINC001458429465 1395465942 /nfs/dbraw/zinc/46/59/42/1395465942.db2.gz YBDMGJGOTNYFSF-UHFFFAOYSA-N 0 0 331.372 2.943 10 5 EFBERN COC(=O)[C@H]1C[C@@H](Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001458433930 1395466742 /nfs/dbraw/zinc/46/67/42/1395466742.db2.gz SMKWCMWMBJWTHO-DTORHVGOSA-N 0 0 335.747 2.582 10 5 EFBERN NC(=O)[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001458435690 1395466838 /nfs/dbraw/zinc/46/68/38/1395466838.db2.gz SQYBLOKMVQHARH-UONOGXRCSA-N 0 0 345.786 2.954 10 5 EFBERN COc1ccc(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001458439112 1395467958 /nfs/dbraw/zinc/46/79/58/1395467958.db2.gz MYKWAZYDQXGTSY-LBPRGKRZSA-N 0 0 343.383 2.915 10 5 EFBERN COC(=O)c1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001458443414 1395468799 /nfs/dbraw/zinc/46/87/99/1395468799.db2.gz KZOFGYHKBPEMNZ-UHFFFAOYSA-N 0 0 332.341 2.931 10 5 EFBERN Cc1nn(C)c(N(C)Cc2ccc3c(c2)OC(F)(F)O3)c1[N+](=O)[O-] ZINC001458455976 1395472364 /nfs/dbraw/zinc/47/23/64/1395472364.db2.gz KDMPQVBPNFOUOC-UHFFFAOYSA-N 0 0 340.286 2.595 10 5 EFBERN COC(=O)/C=C\c1ccc(Nc2cnn(CCF)c2)c([N+](=O)[O-])c1 ZINC001458490687 1395480843 /nfs/dbraw/zinc/48/08/43/1395480843.db2.gz VIWYXYZFDOMUKA-HYXAFXHYSA-N 0 0 334.307 2.691 10 5 EFBERN Cc1cc(NC(C)(C)c2ncc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458492219 1395481925 /nfs/dbraw/zinc/48/19/25/1395481925.db2.gz XAVKCNBEDQNXTJ-UHFFFAOYSA-N 0 0 338.371 2.852 10 5 EFBERN COc1nc(C)cc(C)c1CN(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC001458511116 1395485788 /nfs/dbraw/zinc/48/57/88/1395485788.db2.gz KJCHBCRFCZFFFM-UHFFFAOYSA-N 0 0 341.371 2.899 10 5 EFBERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1c(F)cccc1[N+](=O)[O-] ZINC001458521167 1395487763 /nfs/dbraw/zinc/48/77/63/1395487763.db2.gz HUENXRSDXKQKHL-QWRGUYRKSA-N 0 0 337.351 2.932 10 5 EFBERN COc1cncc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC001458537562 1395492156 /nfs/dbraw/zinc/49/21/56/1395492156.db2.gz BPSRONAUYXPMQH-UHFFFAOYSA-N 0 0 348.790 2.978 10 5 EFBERN COC(=O)c1cnc(NCc2ccc3cccnc3c2)c([N+](=O)[O-])c1 ZINC001458535922 1395492199 /nfs/dbraw/zinc/49/21/99/1395492199.db2.gz IQWMUNHSJUHURZ-UHFFFAOYSA-N 0 0 338.323 2.937 10 5 EFBERN CC[C@@]1(O)CCCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001458538602 1395492945 /nfs/dbraw/zinc/49/29/45/1395492945.db2.gz UEVCISNIGUWNKA-MRXNPFEDSA-N 0 0 346.343 2.793 10 5 EFBERN CCc1cc(N[C@@H](CC)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458541587 1395493567 /nfs/dbraw/zinc/49/35/67/1395493567.db2.gz BUIQNNNHKOTAFL-OCCSQVGLSA-N 0 0 344.415 2.998 10 5 EFBERN COc1ccc(CN(CCO)c2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC001458557225 1395497855 /nfs/dbraw/zinc/49/78/55/1395497855.db2.gz ZPELJAHHTMHPGF-UHFFFAOYSA-N 0 0 338.310 2.881 10 5 EFBERN COC(=O)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])Oc1ccccc1 ZINC001458566225 1395501607 /nfs/dbraw/zinc/50/16/07/1395501607.db2.gz RFAMSUCENGJFEQ-CQSZACIVSA-N 0 0 334.303 2.766 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 ZINC001458577162 1395506930 /nfs/dbraw/zinc/50/69/30/1395506930.db2.gz CTPHEDSOGNARPC-MGPLVRAMSA-N 0 0 333.344 2.541 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCN1CCc2ccccc21 ZINC001458589076 1395513142 /nfs/dbraw/zinc/51/31/42/1395513142.db2.gz AIJKVJQCJYCZBQ-UHFFFAOYSA-N 0 0 328.328 2.978 10 5 EFBERN CC[C@@H](OC(=O)c1nc(OC)cc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC001458590964 1395514434 /nfs/dbraw/zinc/51/44/34/1395514434.db2.gz YIKXURUKXCDDMH-GFCCVEGCSA-N 0 0 347.327 2.710 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001458599676 1395517350 /nfs/dbraw/zinc/51/73/50/1395517350.db2.gz WXRHVFKWTQVYIK-XQQFMLRXSA-N 0 0 332.356 2.693 10 5 EFBERN CN(CCCF)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC001458613693 1395522124 /nfs/dbraw/zinc/52/21/24/1395522124.db2.gz FMXCHYMNARCMRY-UHFFFAOYSA-N 0 0 344.286 2.684 10 5 EFBERN CC(=O)c1ccc(Oc2nccc(C(N)=O)c2[N+](=O)[O-])cc1Cl ZINC001458631229 1395528773 /nfs/dbraw/zinc/52/87/73/1395528773.db2.gz LTXHLQWFJPBVCN-UHFFFAOYSA-N 0 0 335.703 2.737 10 5 EFBERN CCC(=O)c1ccc(N2CC[C@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001458639242 1395533845 /nfs/dbraw/zinc/53/38/45/1395533845.db2.gz IQXXYGICNXLORH-ZDUSSCGKSA-N 0 0 326.356 2.971 10 5 EFBERN Cn1cc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)nn1 ZINC001458703788 1395555567 /nfs/dbraw/zinc/55/55/67/1395555567.db2.gz MYEQCGJVPRUGSL-GFCCVEGCSA-N 0 0 338.371 2.656 10 5 EFBERN CN1C(=O)Cc2cc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])ccc21 ZINC001458711664 1395559107 /nfs/dbraw/zinc/55/91/07/1395559107.db2.gz FRGZXUDGOCJHPX-UHFFFAOYSA-N 0 0 342.311 2.634 10 5 EFBERN CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ncc([N+](=O)[O-])cn3)CCC[C@@H]12 ZINC001458719054 1395562139 /nfs/dbraw/zinc/56/21/39/1395562139.db2.gz NSSJXHJJJADLOA-WBMJQRKESA-N 0 0 349.391 2.729 10 5 EFBERN Cc1nnc2n1CCN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]2C ZINC001458720632 1395562495 /nfs/dbraw/zinc/56/24/95/1395562495.db2.gz SSZIREVQGFIYMI-MRVPVSSYSA-N 0 0 339.302 2.677 10 5 EFBERN C[C@@H](C(=O)Nc1ccc(-n2cnnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001458894963 1395633966 /nfs/dbraw/zinc/63/39/66/1395633966.db2.gz QHQDOTGSHDZFOL-GFCCVEGCSA-N 0 0 337.339 2.918 10 5 EFBERN CC1(C)C(C(=O)Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001458929719 1395645395 /nfs/dbraw/zinc/64/53/95/1395645395.db2.gz ATTRBAQXSHPESA-UHFFFAOYSA-N 0 0 345.355 2.663 10 5 EFBERN O=[N+]([O-])c1ccc(-c2ncn(Cc3nc(C4CCC4)no3)n2)cc1 ZINC001458930915 1395646478 /nfs/dbraw/zinc/64/64/78/1395646478.db2.gz CTEUVLUVBLJYPF-UHFFFAOYSA-N 0 0 326.316 2.552 10 5 EFBERN Cc1ncc([N+](=O)[O-])n1Cc1ncc(Br)cc1Cl ZINC001458935813 1395647315 /nfs/dbraw/zinc/64/73/15/1395647315.db2.gz UKUTVFUKLHLSAV-UHFFFAOYSA-N 0 0 331.557 2.959 10 5 EFBERN COC(=O)c1ccc(C(=O)COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC001458980690 1395665122 /nfs/dbraw/zinc/66/51/22/1395665122.db2.gz NBRNHNXFCZMUMR-UHFFFAOYSA-N 0 0 339.687 2.890 10 5 EFBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@@H]1CCC2(CCC2)CO1 ZINC001459002651 1395671066 /nfs/dbraw/zinc/67/10/66/1395671066.db2.gz VJPNFXMMUUBXFO-AWEZNQCLSA-N 0 0 345.355 2.761 10 5 EFBERN O=C(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1ccc2c(c1)CCC2 ZINC001459057560 1395694040 /nfs/dbraw/zinc/69/40/40/1395694040.db2.gz NDRGRKDUYWPSAY-UHFFFAOYSA-N 0 0 338.319 2.874 10 5 EFBERN Nc1nc(SC[C@H](O)c2cccc3ccccc32)ncc1[N+](=O)[O-] ZINC001459099957 1395711740 /nfs/dbraw/zinc/71/17/40/1395711740.db2.gz XJAPKLQAANOGGM-AWEZNQCLSA-N 0 0 342.380 2.946 10 5 EFBERN COc1ccc(-c2cnc(Cn3cc([N+](=O)[O-])cc(F)c3=O)o2)cc1 ZINC001459143781 1395732421 /nfs/dbraw/zinc/73/24/21/1395732421.db2.gz VAYCKICNSUAHQD-UHFFFAOYSA-N 0 0 345.286 2.608 10 5 EFBERN O=C(COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)c1ccns1 ZINC001459150365 1395735297 /nfs/dbraw/zinc/73/52/97/1395735297.db2.gz AWVJLCYGGNXISX-UHFFFAOYSA-N 0 0 336.222 2.869 10 5 EFBERN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC001459247989 1395770919 /nfs/dbraw/zinc/77/09/19/1395770919.db2.gz WSXJRZIQPGRPQQ-UHFFFAOYSA-N 0 0 328.250 2.624 10 5 EFBERN CCc1oc2ccccc2c1CC(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001459298417 1395791022 /nfs/dbraw/zinc/79/10/22/1395791022.db2.gz MIEWSIZYQIHGOZ-UHFFFAOYSA-N 0 0 328.328 2.818 10 5 EFBERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC001459299569 1395791229 /nfs/dbraw/zinc/79/12/29/1395791229.db2.gz PVXRWTDRJOTCND-UHFFFAOYSA-N 0 0 332.213 2.739 10 5 EFBERN CCSc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)ccn1 ZINC001459353875 1395820013 /nfs/dbraw/zinc/82/00/13/1395820013.db2.gz PJOSRKAOCBENHX-UHFFFAOYSA-N 0 0 332.385 2.735 10 5 EFBERN COc1cnc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC001459641622 1395974292 /nfs/dbraw/zinc/97/42/92/1395974292.db2.gz RAGYOOMIORZHME-UHFFFAOYSA-N 0 0 336.735 2.618 10 5 EFBERN Cc1cc2c(cc1[N+](=O)[O-])N(C[C@@H]1CCC[C@]3(CCOC3)O1)CC2 ZINC001459862087 1395987179 /nfs/dbraw/zinc/98/71/79/1395987179.db2.gz KXNPOMJUZCLVQP-MAUKXSAKSA-N 0 0 332.400 2.994 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC(c2ccccn2)=NO1 ZINC001460020569 1395997756 /nfs/dbraw/zinc/99/77/56/1395997756.db2.gz QQRBKVFOLIKOMV-ZDUSSCGKSA-N 0 0 346.730 2.775 10 5 EFBERN NC(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 ZINC001460015508 1395997852 /nfs/dbraw/zinc/99/78/52/1395997852.db2.gz BMLVYVFWFSKATR-UHFFFAOYSA-N 0 0 347.758 2.918 10 5 EFBERN CC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001460018901 1395997902 /nfs/dbraw/zinc/99/79/02/1395997902.db2.gz KMUFJRUKDIEVMD-LLVKDONJSA-N 0 0 327.768 2.738 10 5 EFBERN O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC(c2ccccn2)=NO1 ZINC001460020568 1395997935 /nfs/dbraw/zinc/99/79/35/1395997935.db2.gz QQRBKVFOLIKOMV-CYBMUJFWSA-N 0 0 346.730 2.775 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC001460049684 1396001991 /nfs/dbraw/zinc/00/19/91/1396001991.db2.gz MPLYWBYVZBHIIH-UHFFFAOYSA-N 0 0 349.656 2.648 10 5 EFBERN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001460052234 1396002027 /nfs/dbraw/zinc/00/20/27/1396002027.db2.gz XMAXMLDWUWGMPL-UHFFFAOYSA-N 0 0 337.767 2.927 10 5 EFBERN Cc1nc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC001460293406 1396020808 /nfs/dbraw/zinc/02/08/08/1396020808.db2.gz SCDAAOHKIAAYSL-UHFFFAOYSA-N 0 0 341.323 2.774 10 5 EFBERN COc1c(C(=O)NCCc2ccc(C(C)=O)cc2)cccc1[N+](=O)[O-] ZINC001546115328 1396021762 /nfs/dbraw/zinc/02/17/62/1396021762.db2.gz APJFBXVYXHBZTN-UHFFFAOYSA-N 0 0 342.351 2.779 10 5 EFBERN O=C(Nc1ccnn1-c1ccccn1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001460310853 1396024776 /nfs/dbraw/zinc/02/47/76/1396024776.db2.gz IEGAEIHFNYEQKX-LSDHHAIUSA-N 0 0 349.350 2.918 10 5 EFBERN Cc1ccn2ncnc2c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001460398409 1396055232 /nfs/dbraw/zinc/05/52/32/1396055232.db2.gz LULFOHARBYMBAM-NSHDSACASA-N 0 0 325.328 2.688 10 5 EFBERN Cc1cccc2c1OC[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC001460643776 1396240736 /nfs/dbraw/zinc/24/07/36/1396240736.db2.gz GTNJFIDNGRYPNM-LBPRGKRZSA-N 0 0 330.315 2.776 10 5 EFBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2ccnn2)o1 ZINC001460692233 1396244018 /nfs/dbraw/zinc/24/40/18/1396244018.db2.gz OPMCBYPSKYKIQP-UHFFFAOYSA-N 0 0 341.327 2.642 10 5 EFBERN COC(=O)[C@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001460866750 1396266170 /nfs/dbraw/zinc/26/61/70/1396266170.db2.gz NVHFIEQTFHVIQX-SNVBAGLBSA-N 0 0 329.312 2.519 10 5 EFBERN COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC001546120767 1396280850 /nfs/dbraw/zinc/28/08/50/1396280850.db2.gz YFVNIQQAROXJGH-UHFFFAOYSA-N 0 0 335.703 2.682 10 5 EFBERN CN1C(=O)CC[C@@H](NC(=O)c2c3ccccc3cc3ccccc32)C1=O ZINC001461068637 1396286796 /nfs/dbraw/zinc/28/67/96/1396286796.db2.gz IWUMPTFTVNZBID-QGZVFWFLSA-N 0 0 346.386 2.870 10 5 EFBERN CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccon1 ZINC001461255542 1396364910 /nfs/dbraw/zinc/36/49/10/1396364910.db2.gz SPAFGUPWNIVNQG-UHFFFAOYSA-N 0 0 326.106 2.622 10 5 EFBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ccon1 ZINC001461254103 1396365377 /nfs/dbraw/zinc/36/53/77/1396365377.db2.gz PKVBQBBIURYYOI-QMMMGPOBSA-N 0 0 325.708 2.667 10 5 EFBERN COC(=O)c1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC001461301229 1396369689 /nfs/dbraw/zinc/36/96/89/1396369689.db2.gz QXDDWBPJTJHSOL-UHFFFAOYSA-N 0 0 347.352 2.507 10 5 EFBERN COc1cc(C(=O)Nc2cnc3ccccn23)c([N+](=O)[O-])cc1F ZINC001461385912 1396375082 /nfs/dbraw/zinc/37/50/82/1396375082.db2.gz CBKIYTHSIHHZAG-UHFFFAOYSA-N 0 0 330.275 2.643 10 5 EFBERN COC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001461385745 1396375144 /nfs/dbraw/zinc/37/51/44/1396375144.db2.gz AKHZKNPZDHWMQN-HNNXBMFYSA-N 0 0 330.340 2.721 10 5 EFBERN COc1cccc(OC)c1CNC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC001461426274 1396377822 /nfs/dbraw/zinc/37/78/22/1396377822.db2.gz RZZLBTYOZLPNLO-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN COCCCOCCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001461450760 1396381042 /nfs/dbraw/zinc/38/10/42/1396381042.db2.gz MKNHIPBHPIGUSN-UHFFFAOYSA-N 0 0 333.344 2.525 10 5 EFBERN C[C@H](C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnn(C)c1 ZINC001461450532 1396381212 /nfs/dbraw/zinc/38/12/12/1396381212.db2.gz JUAFEYLOZJQEJD-JTQLQIEISA-N 0 0 325.328 2.619 10 5 EFBERN CC(=O)N[C@H](C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC001461451733 1396381553 /nfs/dbraw/zinc/38/15/53/1396381553.db2.gz HZIOAKPTEKEXEN-CQSZACIVSA-N 0 0 344.371 2.632 10 5 EFBERN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cnn(C(F)F)c1 ZINC001461448819 1396381620 /nfs/dbraw/zinc/38/16/20/1396381620.db2.gz HMCDIFQLTNTBDZ-UHFFFAOYSA-N 0 0 333.254 2.987 10 5 EFBERN CCN(C(C)=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cn1 ZINC001461505678 1396385134 /nfs/dbraw/zinc/38/51/34/1396385134.db2.gz ZROHAWBNWCBKSW-UHFFFAOYSA-N 0 0 342.355 2.923 10 5 EFBERN COc1ccc(C)cc1CC(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001461508732 1396385421 /nfs/dbraw/zinc/38/54/21/1396385421.db2.gz JNSOUOVIXVQKIZ-UHFFFAOYSA-N 0 0 346.295 2.968 10 5 EFBERN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(N(C)C)nn1 ZINC001461541024 1396387424 /nfs/dbraw/zinc/38/74/24/1396387424.db2.gz HTRIHYKECIYBGC-UHFFFAOYSA-N 0 0 335.751 2.665 10 5 EFBERN O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCCc2cc[nH]c(=O)c21 ZINC001461570944 1396390519 /nfs/dbraw/zinc/39/05/19/1396390519.db2.gz GXLLQBNBWWMLAI-UHFFFAOYSA-N 0 0 335.266 2.567 10 5 EFBERN Cn1ncc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c1Cl ZINC001461564409 1396391010 /nfs/dbraw/zinc/39/10/10/1396391010.db2.gz XVLLTCCJBOPZOB-UHFFFAOYSA-N 0 0 345.746 2.969 10 5 EFBERN COc1ccnc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1F ZINC001461657535 1396397659 /nfs/dbraw/zinc/39/76/59/1396397659.db2.gz KMKCWHIUMNMKNO-UHFFFAOYSA-N 0 0 337.282 2.515 10 5 EFBERN O=C(Nc1ccc(F)nn1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001461683162 1396398806 /nfs/dbraw/zinc/39/88/06/1396398806.db2.gz RETRPWZQKKEKHF-UHFFFAOYSA-N 0 0 330.197 2.795 10 5 EFBERN Cc1ncc(COC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)o1 ZINC001461682737 1396399443 /nfs/dbraw/zinc/39/94/43/1396399443.db2.gz DMXZPCCYHVRPGW-UHFFFAOYSA-N 0 0 328.227 2.850 10 5 EFBERN CCn1cc(CC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cn1 ZINC001461707174 1396400630 /nfs/dbraw/zinc/40/06/30/1396400630.db2.gz SDVFHQHVQMLRBD-UHFFFAOYSA-N 0 0 325.328 2.541 10 5 EFBERN Cc1c(C(=O)Nc2cc(C(F)(F)F)nn2C)cccc1[N+](=O)[O-] ZINC001461738624 1396401453 /nfs/dbraw/zinc/40/14/53/1396401453.db2.gz YUEHQYSLOSCTGX-UHFFFAOYSA-N 0 0 328.250 2.908 10 5 EFBERN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(-c2ccccc2)s1 ZINC001461778655 1396403897 /nfs/dbraw/zinc/40/38/97/1396403897.db2.gz NZQNUCNJRYIRDD-UHFFFAOYSA-N 0 0 342.380 2.836 10 5 EFBERN Cc1cc2nccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2n1 ZINC001461827753 1396407361 /nfs/dbraw/zinc/40/73/61/1396407361.db2.gz HNLOCUIQMJTJRG-UHFFFAOYSA-N 0 0 331.719 2.852 10 5 EFBERN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001461914724 1396412419 /nfs/dbraw/zinc/41/24/19/1396412419.db2.gz JVZLPJBMRILOOG-ZETCQYMHSA-N 0 0 333.325 2.994 10 5 EFBERN Nc1c(C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001462015540 1396415425 /nfs/dbraw/zinc/41/54/25/1396415425.db2.gz ZPMADSRZOQWLSK-DOMZBBRYSA-N 0 0 341.367 2.628 10 5 EFBERN COc1ccc(C(=O)Nc2cc(OCC(C)C)ncn2)cc1[N+](=O)[O-] ZINC001462059730 1396417890 /nfs/dbraw/zinc/41/78/90/1396417890.db2.gz MRWJSZLUQCOSDK-UHFFFAOYSA-N 0 0 346.343 2.681 10 5 EFBERN Cn1c(=O)c2ccccc2n1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001462209373 1396427269 /nfs/dbraw/zinc/42/72/69/1396427269.db2.gz QRDCFDMKORDKLB-UHFFFAOYSA-N 0 0 331.715 2.590 10 5 EFBERN C[C@@H](C(=O)n1c2ccccc2c(=O)n1C)c1ccc([N+](=O)[O-])cc1F ZINC001462208042 1396427307 /nfs/dbraw/zinc/42/73/07/1396427307.db2.gz JVCRZDNYKYMHPQ-SNVBAGLBSA-N 0 0 343.314 2.831 10 5 EFBERN COc1cc([N+](=O)[O-])cnc1NC(=O)c1csc(-c2ccco2)n1 ZINC001462406850 1396434803 /nfs/dbraw/zinc/43/48/03/1396434803.db2.gz ZIAJTGQCMNCEMV-UHFFFAOYSA-N 0 0 346.324 2.967 10 5 EFBERN CCc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc1 ZINC001462424104 1396435282 /nfs/dbraw/zinc/43/52/82/1396435282.db2.gz NVQQWRWNBAGRIN-UHFFFAOYSA-N 0 0 337.339 2.990 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)NCC2(C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC001462516316 1396440393 /nfs/dbraw/zinc/44/03/93/1396440393.db2.gz GJWWIMJHIHRWKH-UHFFFAOYSA-N 0 0 343.286 2.977 10 5 EFBERN COc1cc(OCC(=O)Nc2ncsc2C2CC2)ccc1[N+](=O)[O-] ZINC001462554273 1396442149 /nfs/dbraw/zinc/44/21/49/1396442149.db2.gz KTJHTSPHUGSRNG-UHFFFAOYSA-N 0 0 349.368 2.955 10 5 EFBERN O=C(NCCC[C@H]1C=CCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001462568575 1396442972 /nfs/dbraw/zinc/44/29/72/1396442972.db2.gz IFPZVGDBGUCZFU-GUYCJALGSA-N 0 0 343.383 2.950 10 5 EFBERN O=C(Nc1ccc2c(c1)NC(=O)C2)c1c(Cl)cccc1[N+](=O)[O-] ZINC001462707716 1396448276 /nfs/dbraw/zinc/44/82/76/1396448276.db2.gz GONAJEXLVVJDAQ-UHFFFAOYSA-N 0 0 331.715 2.995 10 5 EFBERN C[C@@H](NC(=O)c1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC001462732372 1396449745 /nfs/dbraw/zinc/44/97/45/1396449745.db2.gz KVMXBCQNRLDEKL-LLVKDONJSA-N 0 0 328.324 2.857 10 5 EFBERN COC(=O)c1cc(C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc([N+](=O)[O-])c1 ZINC001462766236 1396452846 /nfs/dbraw/zinc/45/28/46/1396452846.db2.gz RIGRMHFKFZJJCC-ABAIWWIYSA-N 0 0 332.356 2.547 10 5 EFBERN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC[C@]12C[C@H]1CCC2 ZINC001462946278 1396462941 /nfs/dbraw/zinc/46/29/41/1396462941.db2.gz IKJVKPGCJAGLJW-WBMJQRKESA-N 0 0 333.344 2.742 10 5 EFBERN COc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)c1OC ZINC001462958394 1396463615 /nfs/dbraw/zinc/46/36/15/1396463615.db2.gz BXJGOXPTFHOAEZ-UHFFFAOYSA-N 0 0 348.330 2.990 10 5 EFBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC2(CC2)C1 ZINC001463028824 1396467291 /nfs/dbraw/zinc/46/72/91/1396467291.db2.gz XAKHBCOGHUYHCL-CQSZACIVSA-N 0 0 345.399 2.554 10 5 EFBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC2(CC2)C1 ZINC001463028822 1396467389 /nfs/dbraw/zinc/46/73/89/1396467389.db2.gz XAKHBCOGHUYHCL-AWEZNQCLSA-N 0 0 345.399 2.554 10 5 EFBERN COc1cccc(F)c1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001463089512 1396471882 /nfs/dbraw/zinc/47/18/82/1396471882.db2.gz SMTGERYNJDBHIP-UHFFFAOYSA-N 0 0 334.303 2.681 10 5 EFBERN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001463086629 1396472018 /nfs/dbraw/zinc/47/20/18/1396472018.db2.gz HUXMSMBYGGZRML-GFCCVEGCSA-N 0 0 343.339 2.965 10 5 EFBERN C[C@@H](CC(N)=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001463087600 1396472106 /nfs/dbraw/zinc/47/21/06/1396472106.db2.gz QEENFAMILONZBU-JTQLQIEISA-N 0 0 345.330 2.965 10 5 EFBERN COc1cc(C(=O)Nc2nc(C)ccc2OC)c([N+](=O)[O-])cc1F ZINC001463200743 1396477164 /nfs/dbraw/zinc/47/71/64/1396477164.db2.gz OXYNSRGIFGYYHQ-UHFFFAOYSA-N 0 0 335.291 2.707 10 5 EFBERN COc1c(F)nccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001463250144 1396480217 /nfs/dbraw/zinc/48/02/17/1396480217.db2.gz YGFJJKQJWKEIMJ-UHFFFAOYSA-N 0 0 337.332 2.868 10 5 EFBERN O=C(NCc1ccc2nonc2c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001463277238 1396482355 /nfs/dbraw/zinc/48/23/55/1396482355.db2.gz SXZONFCJQCULIE-UHFFFAOYSA-N 0 0 332.703 2.714 10 5 EFBERN Cc1cnc2c(c1)N(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)CCN2C ZINC001463387316 1396489252 /nfs/dbraw/zinc/48/92/52/1396489252.db2.gz FVCUBKVJSHEDER-UHFFFAOYSA-N 0 0 348.309 2.673 10 5 EFBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cncc(C(F)(F)F)c1 ZINC001463435625 1396492714 /nfs/dbraw/zinc/49/27/14/1396492714.db2.gz VGKVPQXVOYIANJ-UHFFFAOYSA-N 0 0 343.265 2.542 10 5 EFBERN Cc1ccc(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1C ZINC001463541946 1396501442 /nfs/dbraw/zinc/50/14/42/1396501442.db2.gz OMTFNQVSRQTJIP-UHFFFAOYSA-N 0 0 339.355 2.562 10 5 EFBERN Cc1ccc(NC(=O)[C@@H](C)N2CSCCSC2)cc1[N+](=O)[O-] ZINC001463847019 1396524769 /nfs/dbraw/zinc/52/47/69/1396524769.db2.gz PFZLPRUFPFIUJA-LLVKDONJSA-N 0 0 341.458 2.927 10 5 EFBERN Nc1c(C(=O)NOCc2ccccc2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001463935232 1396532612 /nfs/dbraw/zinc/53/26/12/1396532612.db2.gz NLPREJFRTDHMBW-UHFFFAOYSA-N 0 0 339.710 2.831 10 5 EFBERN CC(=O)c1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC001463979961 1396535690 /nfs/dbraw/zinc/53/56/90/1396535690.db2.gz VTOMWCWJEZCBJV-UHFFFAOYSA-N 0 0 348.380 2.584 10 5 EFBERN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001464017699 1396538673 /nfs/dbraw/zinc/53/86/73/1396538673.db2.gz VRDAVZWVXJQQGY-SNVBAGLBSA-N 0 0 342.355 2.626 10 5 EFBERN CC(=O)c1cccc(S(=O)(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001464290753 1396563231 /nfs/dbraw/zinc/56/32/31/1396563231.db2.gz KMUJIRACYCISLY-UHFFFAOYSA-N 0 0 348.380 2.584 10 5 EFBERN Cn1ccnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001464288027 1396563526 /nfs/dbraw/zinc/56/35/26/1396563526.db2.gz JDVAUVYYTFQWMZ-UHFFFAOYSA-N 0 0 337.339 2.830 10 5 EFBERN CO[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001464408550 1396573167 /nfs/dbraw/zinc/57/31/67/1396573167.db2.gz AJQRNUGJDRXCHU-CQSZACIVSA-N 0 0 349.774 2.948 10 5 EFBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H](c2ccccc2)O1 ZINC001464426459 1396573741 /nfs/dbraw/zinc/57/37/41/1396573741.db2.gz XTXJTXDIRYQKTB-SJKOYZFVSA-N 0 0 341.367 2.779 10 5 EFBERN CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001464484815 1396580446 /nfs/dbraw/zinc/58/04/46/1396580446.db2.gz HEPKIPQSFCASON-LLVKDONJSA-N 0 0 348.380 2.837 10 5 EFBERN NC(=O)CCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001464733844 1396599491 /nfs/dbraw/zinc/59/94/91/1396599491.db2.gz XCNVVVBOEGOHGI-UHFFFAOYSA-N 0 0 347.758 2.770 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC(Oc2ccccc2)C1 ZINC001464873808 1396624280 /nfs/dbraw/zinc/62/42/80/1396624280.db2.gz XVJZQLUCCOCTHX-UHFFFAOYSA-N 0 0 342.351 2.897 10 5 EFBERN COC(=O)CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001464902429 1396628700 /nfs/dbraw/zinc/62/87/00/1396628700.db2.gz RIHDTZCAGLTLRN-UHFFFAOYSA-N 0 0 328.752 2.710 10 5 EFBERN CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC001465321888 1396669918 /nfs/dbraw/zinc/66/99/18/1396669918.db2.gz YDOVUCIUKAHAMR-UHFFFAOYSA-N 0 0 328.250 2.624 10 5 EFBERN CSc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)co1 ZINC001465382110 1396674979 /nfs/dbraw/zinc/67/49/79/1396674979.db2.gz SRNDJNNFVSUGFA-LLVKDONJSA-N 0 0 348.384 2.631 10 5 EFBERN O=C(c1c[nH]cc1C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001465382342 1396675401 /nfs/dbraw/zinc/67/54/01/1396675401.db2.gz ZYZNBCBRACAQHL-GFCCVEGCSA-N 0 0 341.371 2.522 10 5 EFBERN CC[C@@]1(C)CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001465405504 1396677316 /nfs/dbraw/zinc/67/73/16/1396677316.db2.gz CTIGVOVRAIVVNZ-KRWDZBQOSA-N 0 0 343.387 2.828 10 5 EFBERN CC(C)Nc1ccc(F)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001465620473 1396697170 /nfs/dbraw/zinc/69/71/70/1396697170.db2.gz OETNQNAVOGHVIP-UHFFFAOYSA-N 0 0 334.307 2.907 10 5 EFBERN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)no1 ZINC001465617091 1396697634 /nfs/dbraw/zinc/69/76/34/1396697634.db2.gz CGXPWQHXNBMZAP-LLVKDONJSA-N 0 0 333.348 2.797 10 5 EFBERN CCCN(CC(C)(C)O)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465725397 1396706029 /nfs/dbraw/zinc/70/60/29/1396706029.db2.gz PQLXHWCYXVJLJK-UHFFFAOYSA-N 0 0 345.399 2.953 10 5 EFBERN CN(Cc1cccn1C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001465737562 1396707164 /nfs/dbraw/zinc/70/71/64/1396707164.db2.gz CIKQAHJKVAWGRB-UHFFFAOYSA-N 0 0 339.355 2.596 10 5 EFBERN CCOCCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CCCC1 ZINC001465737962 1396707434 /nfs/dbraw/zinc/70/74/34/1396707434.db2.gz RLVRLQKJAWGHBJ-UHFFFAOYSA-N 0 0 335.404 2.894 10 5 EFBERN COc1ccc(C[C@@H]2CCN2C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC001465740959 1396707448 /nfs/dbraw/zinc/70/74/48/1396707448.db2.gz QXVXWQCCXQBRBT-ZDUSSCGKSA-N 0 0 341.367 2.643 10 5 EFBERN CC(=O)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1O ZINC001465767480 1396710390 /nfs/dbraw/zinc/71/03/90/1396710390.db2.gz OOKSSWSACUTHNB-UHFFFAOYSA-N 0 0 340.335 2.702 10 5 EFBERN COc1ccc(CN(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1O ZINC001465844786 1396715641 /nfs/dbraw/zinc/71/56/41/1396715641.db2.gz VYCWQSMMWUTYHM-UHFFFAOYSA-N 0 0 348.330 2.649 10 5 EFBERN CCC(CC)[C@@H](O)CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465855502 1396717119 /nfs/dbraw/zinc/71/71/19/1396717119.db2.gz FKCXREXBFOSIEJ-HNNXBMFYSA-N 0 0 345.399 2.857 10 5 EFBERN CCOc1cc(C)ccc1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001466020157 1396732234 /nfs/dbraw/zinc/73/22/34/1396732234.db2.gz IIJNTZGVCGEJDT-UHFFFAOYSA-N 0 0 338.751 2.608 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H](CO)c1ccccc1 ZINC001466018310 1396732348 /nfs/dbraw/zinc/73/23/48/1396732348.db2.gz XCUCOVXNSKNPKG-AWEZNQCLSA-N 0 0 348.786 2.683 10 5 EFBERN C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1O ZINC001466510772 1396758401 /nfs/dbraw/zinc/75/84/01/1396758401.db2.gz RRNNFQCPBRWBGR-RDDDGLTNSA-N 0 0 333.171 2.745 10 5 EFBERN CC[C@H](NC(=O)c1ncnc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC001466532708 1396760950 /nfs/dbraw/zinc/76/09/50/1396760950.db2.gz GHIGWPIESDVQKD-ZDUSSCGKSA-N 0 0 325.328 2.699 10 5 EFBERN CO/C(=C\c1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001466595387 1396764105 /nfs/dbraw/zinc/76/41/05/1396764105.db2.gz QLDOKHDCTGCKST-LGMDPLHJSA-N 0 0 326.352 2.941 10 5 EFBERN Cc1ccc2nc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)cn2c1 ZINC001466637868 1396768035 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0 338.323 2.883 10 5 EFBERN CC(C)Oc1cc(O)ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001466831557 1396788911 /nfs/dbraw/zinc/78/89/11/1396788911.db2.gz IXPSRUVSBOIZFT-INIZCTEOSA-N 0 0 346.339 2.760 10 5 EFBERN Cc1c(CNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001466894995 1396794855 /nfs/dbraw/zinc/79/48/55/1396794855.db2.gz VGVIZFIOUXBNFC-HWPZZCPQSA-N 0 0 328.372 2.609 10 5 EFBERN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001466903638 1396795552 /nfs/dbraw/zinc/79/55/52/1396795552.db2.gz SRXPQOYLPPBBNL-RXMQYKEDSA-N 0 0 340.689 2.774 10 5 EFBERN CCc1ccccc1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001466903234 1396795774 /nfs/dbraw/zinc/79/57/74/1396795774.db2.gz MSBPVUSIRUPMJE-UHFFFAOYSA-N 0 0 340.379 2.990 10 5 EFBERN CN1CCOc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc21 ZINC001467376566 1396847352 /nfs/dbraw/zinc/84/73/52/1396847352.db2.gz FNNALAZYYCTJAK-UHFFFAOYSA-N 0 0 331.303 2.815 10 5 EFBERN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1Cc2cccnc2C1 ZINC001467395084 1396849922 /nfs/dbraw/zinc/84/99/22/1396849922.db2.gz FIPHACOEKGZSNH-UHFFFAOYSA-N 0 0 335.722 2.867 10 5 EFBERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(C=O)cc1 ZINC001467403958 1396852164 /nfs/dbraw/zinc/85/21/64/1396852164.db2.gz WOPWBFCKLQCVLX-UHFFFAOYSA-N 0 0 326.352 2.651 10 5 EFBERN CC(C)(C)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(N)=O ZINC001467554227 1396870357 /nfs/dbraw/zinc/87/03/57/1396870357.db2.gz WJRFSXWTENHKMO-JTQLQIEISA-N 0 0 341.795 2.658 10 5 EFBERN O=C(Nc1cncc(F)c1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001467588034 1396873970 /nfs/dbraw/zinc/87/39/70/1396873970.db2.gz OTAQTXHMVZKKKQ-UHFFFAOYSA-N 0 0 327.275 2.771 10 5 EFBERN Cc1ccc(O)c(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001467592446 1396873983 /nfs/dbraw/zinc/87/39/83/1396873983.db2.gz LRRRXNDBZNQBDR-UHFFFAOYSA-N 0 0 329.312 2.605 10 5 EFBERN Cc1ccc(O)c(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)n1 ZINC001467594434 1396875009 /nfs/dbraw/zinc/87/50/09/1396875009.db2.gz JQTUWOICSICTJU-UHFFFAOYSA-N 0 0 340.698 2.631 10 5 EFBERN CC(C)(C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC001467660910 1396881723 /nfs/dbraw/zinc/88/17/23/1396881723.db2.gz DQUGJBKXZIGXMS-UHFFFAOYSA-N 0 0 328.368 2.937 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2ccncc2)C1 ZINC001467863818 1396904120 /nfs/dbraw/zinc/90/41/20/1396904120.db2.gz MOZXUONBFNWKOY-ZDUSSCGKSA-N 0 0 326.356 2.592 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1nccnc1Cl ZINC001467909184 1396908997 /nfs/dbraw/zinc/90/89/97/1396908997.db2.gz QIPVCSDKJDPSQA-UHFFFAOYSA-N 0 0 341.154 2.551 10 5 EFBERN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCOc2ccncc21 ZINC001468396653 1396953051 /nfs/dbraw/zinc/95/30/51/1396953051.db2.gz RZBAVMAKBYZRKG-UHFFFAOYSA-N 0 0 337.694 2.822 10 5 EFBERN Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cnn1C1CCOCC1 ZINC001468397873 1396953266 /nfs/dbraw/zinc/95/32/66/1396953266.db2.gz OMKQLQACTORLQS-UHFFFAOYSA-N 0 0 330.344 2.704 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ncc[nH]1 ZINC001468409573 1396955112 /nfs/dbraw/zinc/95/51/12/1396955112.db2.gz RXPSIFVZBFVNQP-SSDOTTSWSA-N 0 0 328.250 2.828 10 5 EFBERN Cc1nocc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001468474590 1396960984 /nfs/dbraw/zinc/96/09/84/1396960984.db2.gz PJHUVBCVQIIGBE-UHFFFAOYSA-N 0 0 341.776 2.953 10 5 EFBERN C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001468633733 1396974863 /nfs/dbraw/zinc/97/48/63/1396974863.db2.gz HOXDFZPHPBTFSO-LURJTMIESA-N 0 0 344.158 2.643 10 5 EFBERN O=C(Nc1ccc(SC(F)(F)F)nc1)c1c[nH]nc1[N+](=O)[O-] ZINC001468884727 1396988914 /nfs/dbraw/zinc/98/89/14/1396988914.db2.gz AMDPKMCGOYYCFG-UHFFFAOYSA-N 0 0 333.251 2.577 10 5 EFBERN CC[C@@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccccn1 ZINC001469178319 1397009258 /nfs/dbraw/zinc/00/92/58/1397009258.db2.gz WJFHCNQGQZBBEJ-CQSZACIVSA-N 0 0 343.339 2.658 10 5 EFBERN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccccn1 ZINC001469179576 1397009368 /nfs/dbraw/zinc/00/93/68/1397009368.db2.gz PHEZQULEFHQUFI-CYBMUJFWSA-N 0 0 345.355 2.645 10 5 EFBERN COc1ccc(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001469265349 1397016420 /nfs/dbraw/zinc/01/64/20/1397016420.db2.gz RJWXYWWDXVPBGT-DOTOQJQBSA-N 0 0 330.315 2.971 10 5 EFBERN O=C(N[C@H]1CCc2ncsc2C1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001469301972 1397020030 /nfs/dbraw/zinc/02/00/30/1397020030.db2.gz AMSDUWZLADOKOC-VIFPVBQESA-N 0 0 342.380 2.820 10 5 EFBERN CC[C@H](O)[C@H]1CCCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001469616502 1397044873 /nfs/dbraw/zinc/04/48/73/1397044873.db2.gz TYIVDXYEMGHKNK-YPMHNXCESA-N 0 0 341.795 2.596 10 5 EFBERN CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001469616501 1397044973 /nfs/dbraw/zinc/04/49/73/1397044973.db2.gz TYIVDXYEMGHKNK-WCQYABFASA-N 0 0 341.795 2.596 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001469625292 1397045543 /nfs/dbraw/zinc/04/55/43/1397045543.db2.gz SYEXHHBCHGLGEE-MRXNPFEDSA-N 0 0 338.367 2.939 10 5 EFBERN Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[Si](C)(C)C)cc1[N+](=O)[O-] ZINC001469691327 1397049004 /nfs/dbraw/zinc/04/90/04/1397049004.db2.gz ZJJXSCZDDBOBKB-UHFFFAOYSA-N 0 0 325.397 2.761 10 5 EFBERN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@](C)(O)c1ccccc1 ZINC001469750730 1397052824 /nfs/dbraw/zinc/05/28/24/1397052824.db2.gz BMGCIMZSFYCIGZ-GTNSWQLSSA-N 0 0 332.331 2.760 10 5 EFBERN CCOC1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001469805002 1397055369 /nfs/dbraw/zinc/05/53/69/1397055369.db2.gz MFTMSQAJHTVFPB-UHFFFAOYSA-N 0 0 326.780 2.818 10 5 EFBERN Cc1nn(C)cc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001469986366 1397064250 /nfs/dbraw/zinc/06/42/50/1397064250.db2.gz PDHJXRRPJOBMPQ-UHFFFAOYSA-N 0 0 337.339 2.951 10 5 EFBERN Nc1ncc(C(=O)NCc2c(Cl)oc3ccccc32)cc1[N+](=O)[O-] ZINC001470121019 1397075251 /nfs/dbraw/zinc/07/52/51/1397075251.db2.gz CHSLHZPISNGCTB-UHFFFAOYSA-N 0 0 346.730 2.902 10 5 EFBERN Nc1ncc(C(=O)N[C@H](C(F)F)C2CCCCC2)cc1[N+](=O)[O-] ZINC001470264037 1397083522 /nfs/dbraw/zinc/08/35/22/1397083522.db2.gz BRQWJFDHTPBJPW-NSHDSACASA-N 0 0 328.319 2.516 10 5 EFBERN C[C@H](O)[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001470521950 1397096390 /nfs/dbraw/zinc/09/63/90/1397096390.db2.gz MAKZKSNFNLUECG-XXEMMNBPSA-N 0 0 326.352 2.846 10 5 EFBERN Cc1c[nH]c(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001470654228 1397107356 /nfs/dbraw/zinc/10/73/56/1397107356.db2.gz WQFNZPQVGDYDMT-UHFFFAOYSA-N 0 0 343.368 2.680 10 5 EFBERN Cc1cc(O)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001470883486 1397128595 /nfs/dbraw/zinc/12/85/95/1397128595.db2.gz QDLZLZXMVNLNBY-UHFFFAOYSA-N 0 0 330.296 2.632 10 5 EFBERN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC12CC2 ZINC001470981390 1397131016 /nfs/dbraw/zinc/13/10/16/1397131016.db2.gz GJKZWYQMKVMSGL-CYBMUJFWSA-N 0 0 332.404 2.886 10 5 EFBERN C/C(=C/c1ccco1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001471122091 1397142797 /nfs/dbraw/zinc/14/27/97/1397142797.db2.gz BRBVECDSSFSJLT-QJWNTBNXSA-N 0 0 330.340 2.615 10 5 EFBERN COC(=O)C[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001471237521 1397152862 /nfs/dbraw/zinc/15/28/62/1397152862.db2.gz FFJQVBQAENSGDT-XQQFMLRXSA-N 0 0 349.387 2.687 10 5 EFBERN Cc1ccc(CNC(=O)CCOc2cccc(C=O)c2)cc1[N+](=O)[O-] ZINC001471242112 1397153123 /nfs/dbraw/zinc/15/31/23/1397153123.db2.gz DKNNJLASJSWRJG-UHFFFAOYSA-N 0 0 342.351 2.801 10 5 EFBERN O=C(NCc1cc(C(F)(F)F)n[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001471377175 1397166219 /nfs/dbraw/zinc/16/62/19/1397166219.db2.gz PTRJIFWOXGRXGK-UHFFFAOYSA-N 0 0 348.668 2.920 10 5 EFBERN C[C@@H](CNC(=O)N[C@H](C1CC1)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC001471464869 1397174267 /nfs/dbraw/zinc/17/42/67/1397174267.db2.gz MADHDLRVVCGEBL-BLLLJJGKSA-N 0 0 349.431 2.795 10 5 EFBERN C[C@@H](CNC(=O)NCc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC001471463425 1397174395 /nfs/dbraw/zinc/17/43/95/1397174395.db2.gz CQCWUZSOZIMKMA-ZDUSSCGKSA-N 0 0 343.383 2.690 10 5 EFBERN C[C@H](CNC(=O)NCc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC001471463423 1397174727 /nfs/dbraw/zinc/17/47/27/1397174727.db2.gz CQCWUZSOZIMKMA-CYBMUJFWSA-N 0 0 343.383 2.690 10 5 EFBERN Cc1c[nH]c(C2(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC001471476632 1397176370 /nfs/dbraw/zinc/17/63/70/1397176370.db2.gz AVKPICHPZRQVGT-LSDHHAIUSA-N 0 0 340.383 2.925 10 5 EFBERN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001471688873 1397198687 /nfs/dbraw/zinc/19/86/87/1397198687.db2.gz XVMAQARQHWHEQF-MXXYEPHQSA-N 0 0 346.383 2.845 10 5 EFBERN Cc1cccc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001471695221 1397199682 /nfs/dbraw/zinc/19/96/82/1397199682.db2.gz RZYLKCXLWONJJO-CQSZACIVSA-N 0 0 348.786 2.890 10 5 EFBERN CC(C)[C@@H]1C[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471818632 1397211002 /nfs/dbraw/zinc/21/10/02/1397211002.db2.gz GTFMZEFSIBIZRX-QWHCGFSZSA-N 0 0 330.388 2.812 10 5 EFBERN Cc1nc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])[nH]c1C ZINC001471859551 1397216274 /nfs/dbraw/zinc/21/62/74/1397216274.db2.gz BOJUCWHLOGRXKJ-AWEZNQCLSA-N 0 0 346.362 2.980 10 5 EFBERN Cc1nc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[nH]c1C ZINC001471859567 1397216526 /nfs/dbraw/zinc/21/65/26/1397216526.db2.gz BTIVNPYBXQCYFQ-CQSZACIVSA-N 0 0 346.362 2.980 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Cc3ncon3)CC2)c1C ZINC001471969412 1397229012 /nfs/dbraw/zinc/22/90/12/1397229012.db2.gz CVEKRTPXSVBUPY-UHFFFAOYSA-N 0 0 344.371 2.690 10 5 EFBERN CCS(=O)(CC)=NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001471987462 1397231402 /nfs/dbraw/zinc/23/14/02/1397231402.db2.gz ZNBAVFLEAVTAOG-UHFFFAOYSA-N 0 0 336.373 2.633 10 5 EFBERN COC(=O)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1CCCCCC1 ZINC001472006104 1397233312 /nfs/dbraw/zinc/23/33/12/1397233312.db2.gz SSKCSJGLJZVDJV-CQSZACIVSA-N 0 0 342.436 2.698 10 5 EFBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](c2ncccn2)C1 ZINC001472054196 1397240657 /nfs/dbraw/zinc/24/06/57/1397240657.db2.gz SSADFULUTFSSQB-JTQLQIEISA-N 0 0 332.747 2.668 10 5 EFBERN Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)cc([N+](=O)[O-])c1 ZINC001472109130 1397249720 /nfs/dbraw/zinc/24/97/20/1397249720.db2.gz HSGFWFDWQQDHBB-ZETCQYMHSA-N 0 0 343.265 2.531 10 5 EFBERN CN(CCOc1ccccc1Cl)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001472644975 1397265559 /nfs/dbraw/zinc/26/55/59/1397265559.db2.gz ITLHSDGBHXPUQT-UHFFFAOYSA-N 0 0 349.774 2.862 10 5 EFBERN Cn1c(=O)c([N+](=O)[O-])c(Nc2cccc(CO)c2)c2ccccc21 ZINC001472646960 1397265646 /nfs/dbraw/zinc/26/56/46/1397265646.db2.gz NTDJPXWSKJDMAN-UHFFFAOYSA-N 0 0 325.324 2.683 10 5 EFBERN Cc1cc(NC(=O)CN(C)c2ncc([N+](=O)[O-])c3ccccc32)no1 ZINC001472656337 1397266525 /nfs/dbraw/zinc/26/65/25/1397266525.db2.gz PDBNGDPMHXDTOW-UHFFFAOYSA-N 0 0 341.327 2.514 10 5 EFBERN O=[N+]([O-])c1cnc(NCc2cccc(Cn3ccnc3)c2)c(F)c1 ZINC001472657114 1397266767 /nfs/dbraw/zinc/26/67/67/1397266767.db2.gz ZMMALFJZXYUUQO-UHFFFAOYSA-N 0 0 327.319 2.986 10 5 EFBERN C[C@H](CC(=O)OCc1ccccc1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001472732787 1397269070 /nfs/dbraw/zinc/26/90/70/1397269070.db2.gz VBMVCTQMJXLTPA-LLVKDONJSA-N 0 0 349.774 2.999 10 5 EFBERN CCc1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])cc1C ZINC001472734227 1397269202 /nfs/dbraw/zinc/26/92/02/1397269202.db2.gz SCJGUBLSXJNJAH-UHFFFAOYSA-N 0 0 343.387 2.836 10 5 EFBERN C[C@H](CC1CCCCC1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001472770229 1397269863 /nfs/dbraw/zinc/26/98/63/1397269863.db2.gz YLDYETGPPAZRSU-CYBMUJFWSA-N 0 0 349.435 2.992 10 5 EFBERN O=[N+]([O-])c1ccn(CCSc2nccn2-c2cccc(F)c2)n1 ZINC001472946952 1397270294 /nfs/dbraw/zinc/27/02/94/1397270294.db2.gz FJVLFAWOLQPKRU-UHFFFAOYSA-N 0 0 333.348 2.908 10 5 EFBERN CS(=O)(=O)c1cccc(COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001472981169 1397276590 /nfs/dbraw/zinc/27/65/90/1397276590.db2.gz QSKJPIUQVLSCGH-UHFFFAOYSA-N 0 0 325.317 2.716 10 5 EFBERN Cc1cn2c(nc(COc3ccc([N+](=O)[O-])c(F)c3)cc2=O)s1 ZINC001472980997 1397276619 /nfs/dbraw/zinc/27/66/19/1397276619.db2.gz OJOIPJNYCXIXTM-UHFFFAOYSA-N 0 0 335.316 2.691 10 5 EFBERN COC(=O)c1csc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC001472995877 1397277086 /nfs/dbraw/zinc/27/70/86/1397277086.db2.gz DFEGUVRQXKOSPW-UHFFFAOYSA-N 0 0 332.341 2.544 10 5 EFBERN O=[N+]([O-])c1cc2cnn(Cc3cccnc3[N+](=O)[O-])c2c(Cl)c1 ZINC001473011860 1397277991 /nfs/dbraw/zinc/27/79/91/1397277991.db2.gz JHSJPOAYHOAUKE-UHFFFAOYSA-N 0 0 333.691 2.949 10 5 EFBERN O=C1N=NC(c2ccccn2)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001473028339 1397278543 /nfs/dbraw/zinc/27/85/43/1397278543.db2.gz XANQYULIMZGILV-UHFFFAOYSA-N 0 0 331.719 2.656 10 5 EFBERN CC(C)[C@H](O)COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC001473058440 1397279740 /nfs/dbraw/zinc/27/97/40/1397279740.db2.gz WHINPFVCORZPJK-SNVBAGLBSA-N 0 0 349.137 2.661 10 5 EFBERN NC(=O)[C@H](Cc1ccccc1)SCCOc1ccc([N+](=O)[O-])cc1 ZINC001473065912 1397280162 /nfs/dbraw/zinc/28/01/62/1397280162.db2.gz NSAMPRBFWGQWNT-INIZCTEOSA-N 0 0 346.408 2.803 10 5 EFBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CSc2nnc3[nH]cnn32)c1 ZINC001473092125 1397282012 /nfs/dbraw/zinc/28/20/12/1397282012.db2.gz GUOUDDQRBWAUSV-UHFFFAOYSA-N 0 0 344.278 2.672 10 5 EFBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CSc1nnc2[nH]cnn21 ZINC001473091966 1397282232 /nfs/dbraw/zinc/28/22/32/1397282232.db2.gz DHWMSXQBYWNYQP-UHFFFAOYSA-N 0 0 345.171 2.960 10 5 EFBERN COc1ccc(CN[C@H](CO)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001473885387 1397343878 /nfs/dbraw/zinc/34/38/78/1397343878.db2.gz UTKQKVKVWFADGM-CQSZACIVSA-N 0 0 338.310 2.705 10 5 EFBERN NC(=O)c1ccc(CN2CCc3cc(F)cc(F)c3C2)c([N+](=O)[O-])c1 ZINC001473904254 1397349404 /nfs/dbraw/zinc/34/94/04/1397349404.db2.gz ROOOTKOLEWATSM-UHFFFAOYSA-N 0 0 347.321 2.530 10 5 EFBERN Cc1cnc(N(C)CCNC(=O)C(C)(C)C(C)(F)F)c([N+](=O)[O-])c1 ZINC001478261099 1397570535 /nfs/dbraw/zinc/57/05/35/1397570535.db2.gz DVHJNGDPYGIJNQ-UHFFFAOYSA-N 0 0 344.362 2.532 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001478293223 1397573727 /nfs/dbraw/zinc/57/37/27/1397573727.db2.gz ZOMYBDYGZUNFKU-HUBLWGQQSA-N 0 0 333.388 2.839 10 5 EFBERN CC[C@H](NC(=O)N1CCc2ncncc2C1)c1cccc([N+](=O)[O-])c1 ZINC001478367863 1397577750 /nfs/dbraw/zinc/57/77/50/1397577750.db2.gz SDNAJCNCCZFCSI-HNNXBMFYSA-N 0 0 341.371 2.604 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC001479122191 1397610425 /nfs/dbraw/zinc/61/04/25/1397610425.db2.gz MLTTXJXZWZIWGU-HNNXBMFYSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1ccc(CNC(=O)NC[C@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001479121571 1397610612 /nfs/dbraw/zinc/61/06/12/1397610612.db2.gz DBBVJCDBPGNAFX-INIZCTEOSA-N 0 0 335.404 2.644 10 5 EFBERN Cc1ccc(CNC(=O)NC2(c3ncccn3)CCC2)cc1[N+](=O)[O-] ZINC001479124190 1397611744 /nfs/dbraw/zinc/61/17/44/1397611744.db2.gz KMBAZNFCDTWTKY-UHFFFAOYSA-N 0 0 341.371 2.572 10 5 EFBERN Cc1cnc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001479283340 1397665734 /nfs/dbraw/zinc/66/57/34/1397665734.db2.gz ZUIYUTZSHBXLAB-UHFFFAOYSA-N 0 0 343.387 2.518 10 5 EFBERN C[C@H](NC(=O)NC[C@@H](O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001479307505 1397675571 /nfs/dbraw/zinc/67/55/71/1397675571.db2.gz ZEYHHAJTXJXGTD-MEDUHNTESA-N 0 0 347.346 2.828 10 5 EFBERN Cc1nnc([C@H]2CCCN(C(=O)c3c(C)ccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC001546225368 1397706919 /nfs/dbraw/zinc/70/69/19/1397706919.db2.gz JVILOBAKNPQOJC-ZDUSSCGKSA-N 0 0 343.387 2.658 10 5 EFBERN C[C@H](CNC(=O)NCC(O)(C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC001479443972 1397727118 /nfs/dbraw/zinc/72/71/18/1397727118.db2.gz CRDRTRUOCOCOTM-GFCCVEGCSA-N 0 0 347.415 2.549 10 5 EFBERN CCC1(C(=O)NC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001494472384 1399339501 /nfs/dbraw/zinc/33/95/01/1399339501.db2.gz DWLHVLGIPSGALM-UHFFFAOYSA-N 0 0 331.416 2.866 10 5 EFBERN O=C(NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1)C1(F)CCCCC1 ZINC001494610948 1399399869 /nfs/dbraw/zinc/39/98/69/1399399869.db2.gz DRIIWEUZZSTHMK-UHFFFAOYSA-N 0 0 349.406 2.815 10 5 EFBERN CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001494779156 1399465223 /nfs/dbraw/zinc/46/52/23/1399465223.db2.gz GYNOLEDVMPWYEP-QGZVFWFLSA-N 0 0 345.403 2.613 10 5 EFBERN CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001494779155 1399465262 /nfs/dbraw/zinc/46/52/62/1399465262.db2.gz GYNOLEDVMPWYEP-KRWDZBQOSA-N 0 0 345.403 2.613 10 5 EFBERN O=C(CCCF)N1CCC2(CN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001495976418 1400393527 /nfs/dbraw/zinc/39/35/27/1400393527.db2.gz GUUWDGMDANAYGO-UHFFFAOYSA-N 0 0 349.406 2.769 10 5 EFBERN Cc1ncccc1C(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001496771543 1400972327 /nfs/dbraw/zinc/97/23/27/1400972327.db2.gz PNEJCHQDERHXDM-UHFFFAOYSA-N 0 0 342.399 2.502 10 5 EFBERN CC1(CCC(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001499409100 1402600988 /nfs/dbraw/zinc/60/09/88/1402600988.db2.gz KWVCUUAATVYKGF-UHFFFAOYSA-N 0 0 331.416 2.914 10 5 EFBERN CC(F)(F)C(=O)NC1(C)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001499965874 1402872513 /nfs/dbraw/zinc/87/25/13/1402872513.db2.gz YMQAEMSONHBZFP-UHFFFAOYSA-N 0 0 347.387 2.782 10 5 EFBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1nc2ccccc2[nH]1 ZINC001546292539 1404531637 /nfs/dbraw/zinc/53/16/37/1404531637.db2.gz MFNBDBKKUDERCM-CYBMUJFWSA-N 0 0 339.355 2.934 10 5 EFBERN CC[C@H](NC(=O)c1ccn2nccc2n1)c1cccc([N+](=O)[O-])c1 ZINC001546326007 1412880213 /nfs/dbraw/zinc/88/02/13/1412880213.db2.gz ZYGSCPWCWSUFES-ZDUSSCGKSA-N 0 0 325.328 2.519 10 5 EFBERN CC(C)(CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001546327708 1412964793 /nfs/dbraw/zinc/96/47/93/1412964793.db2.gz ZQVUANBMKFRMTR-UHFFFAOYSA-N 0 0 348.790 2.933 10 5 EFBERN Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCOC(C)C ZINC001511794189 1413143890 /nfs/dbraw/zinc/14/38/90/1413143890.db2.gz OWYLJJKJISXYQI-UHFFFAOYSA-N 0 0 347.419 2.599 10 5 EFBERN Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1C[C@@H]1C ZINC001511864054 1413176802 /nfs/dbraw/zinc/17/68/02/1413176802.db2.gz RNZNFXSAVWJHHV-FZMZJTMJSA-N 0 0 327.388 2.713 10 5 EFBERN CCC(O)(CC)Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001513515071 1413637130 /nfs/dbraw/zinc/63/71/30/1413637130.db2.gz UVKSVZPVYYMCLL-UHFFFAOYSA-N 0 0 347.419 2.682 10 5 EFBERN CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@@H](F)C1 ZINC001555761669 1415042873 /nfs/dbraw/zinc/04/28/73/1415042873.db2.gz YKAGKSKMJFVBEL-WCQYABFASA-N 0 0 349.366 2.989 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc2[nH]cnc2c1F ZINC001556066189 1415051330 /nfs/dbraw/zinc/05/13/30/1415051330.db2.gz DIXHZJZTXAQQEF-UHFFFAOYSA-N 0 0 328.303 2.583 10 5 EFBERN Cc1cccc2c1O[C@@H](C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC001556084451 1415052642 /nfs/dbraw/zinc/05/26/42/1415052642.db2.gz OUSICZARLHDISF-CQSZACIVSA-N 0 0 338.323 2.722 10 5 EFBERN Cc1cccc2c1O[C@H](C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC001556084450 1415052664 /nfs/dbraw/zinc/05/26/64/1415052664.db2.gz OUSICZARLHDISF-AWEZNQCLSA-N 0 0 338.323 2.722 10 5 EFBERN CO[C@H]1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2C1 ZINC001556174692 1415057608 /nfs/dbraw/zinc/05/76/08/1415057608.db2.gz SBSKDCCQSHMGMB-AWEZNQCLSA-N 0 0 327.340 2.543 10 5 EFBERN C/C=C\C[C@@H](CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001556302251 1415062925 /nfs/dbraw/zinc/06/29/25/1415062925.db2.gz JARBMPHWFTZPST-SFAKSCPVSA-N 0 0 341.367 2.714 10 5 EFBERN Cn1cc(C(=O)N2Cc3cccnc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001556321830 1415064293 /nfs/dbraw/zinc/06/42/93/1415064293.db2.gz SDRVTKPLXFARCI-UHFFFAOYSA-N 0 0 349.350 2.546 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](CO)CCC(C)(C)C ZINC001556363893 1415066178 /nfs/dbraw/zinc/06/61/78/1415066178.db2.gz YNAOLIICOMJSBI-NSHDSACASA-N 0 0 326.368 2.959 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC001556382762 1415066537 /nfs/dbraw/zinc/06/65/37/1415066537.db2.gz UHKWDWCOLQJZSF-CQSZACIVSA-N 0 0 349.774 2.602 10 5 EFBERN CC(C)(NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001556603993 1415079164 /nfs/dbraw/zinc/07/91/64/1415079164.db2.gz UCTDMALFBKCGOZ-UHFFFAOYSA-N 0 0 336.779 2.955 10 5 EFBERN CN=[S@](C)(=O)c1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001556606474 1415079220 /nfs/dbraw/zinc/07/92/20/1415079220.db2.gz CBBOVNDMVXIJCB-XMMPIXPASA-N 0 0 348.384 2.516 10 5 EFBERN CON(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H](C)c1csc(C)n1 ZINC001556661256 1415081028 /nfs/dbraw/zinc/08/10/28/1415081028.db2.gz OBXHGRZGVWPJFI-RXMQYKEDSA-N 0 0 345.768 2.501 10 5 EFBERN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCn2c(cc3ccccc32)C1 ZINC001556774909 1415087690 /nfs/dbraw/zinc/08/76/90/1415087690.db2.gz REBTUIBIUSCAFQ-UHFFFAOYSA-N 0 0 345.746 2.582 10 5 EFBERN COc1ccccc1CN(OC)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001556892235 1415093463 /nfs/dbraw/zinc/09/34/63/1415093463.db2.gz VSYOIZAFQCJICF-UHFFFAOYSA-N 0 0 331.328 2.511 10 5 EFBERN Nc1ccc(NC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1[N+](=O)[O-] ZINC001556895512 1415094234 /nfs/dbraw/zinc/09/42/34/1415094234.db2.gz VWPCOORFAVZJRR-FOSCPWQOSA-N 0 0 331.372 2.901 10 5 EFBERN CN(C)c1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001556906169 1415095084 /nfs/dbraw/zinc/09/50/84/1415095084.db2.gz YPTWIUQGSCGSLT-UHFFFAOYSA-N 0 0 328.372 2.515 10 5 EFBERN CC(C)Oc1cc(C(=O)N2CC(C)(C)[C@H]3COC[C@H]32)ccc1[N+](=O)[O-] ZINC001557000223 1415100598 /nfs/dbraw/zinc/10/05/98/1415100598.db2.gz FXZIJDCMEVYJDI-DZGCQCFKSA-N 0 0 348.399 2.879 10 5 EFBERN CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1C(F)(F)F ZINC001557047503 1415102797 /nfs/dbraw/zinc/10/27/97/1415102797.db2.gz SUYLPLVNWTXSGX-UHFFFAOYSA-N 0 0 343.265 2.655 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COCc2ccccc21 ZINC001557079543 1415103636 /nfs/dbraw/zinc/10/36/36/1415103636.db2.gz ZFGXXYCZSASZGK-INIZCTEOSA-N 0 0 327.340 2.638 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001557127139 1415107153 /nfs/dbraw/zinc/10/71/53/1415107153.db2.gz DZHOPCZAFWAVNU-DOTOQJQBSA-N 0 0 330.315 2.727 10 5 EFBERN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001557127140 1415107181 /nfs/dbraw/zinc/10/71/81/1415107181.db2.gz DZHOPCZAFWAVNU-NVXWUHKLSA-N 0 0 330.315 2.727 10 5 EFBERN O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001557129220 1415107224 /nfs/dbraw/zinc/10/72/24/1415107224.db2.gz VBHJLQUOIIEQRT-PBHICJAKSA-N 0 0 340.314 2.838 10 5 EFBERN COCn1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC001557137904 1415107947 /nfs/dbraw/zinc/10/79/47/1415107947.db2.gz WXMSQKRNCSUYSU-UHFFFAOYSA-N 0 0 345.142 2.954 10 5 EFBERN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc2nccn12 ZINC001557172553 1415110088 /nfs/dbraw/zinc/11/00/88/1415110088.db2.gz OLOPDFVEIMBRIA-UHFFFAOYSA-N 0 0 331.357 2.527 10 5 EFBERN Cc1cc(C(=O)N[C@@H](CCO)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC001557175232 1415110294 /nfs/dbraw/zinc/11/02/94/1415110294.db2.gz MNRHLCPORLRPIK-INIZCTEOSA-N 0 0 332.331 2.896 10 5 EFBERN CSc1cccc(C(=O)NCc2ccc(CO)cc2)c1[N+](=O)[O-] ZINC001557177569 1415110599 /nfs/dbraw/zinc/11/05/99/1415110599.db2.gz UBYPFCLQLOZUKH-UHFFFAOYSA-N 0 0 332.381 2.739 10 5 EFBERN O=C(CCOc1ccccc1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001557205302 1415112406 /nfs/dbraw/zinc/11/24/06/1415112406.db2.gz CIAPBSJZNDWFSL-UHFFFAOYSA-N 0 0 336.294 2.958 10 5 EFBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnccn1 ZINC001557228371 1415113696 /nfs/dbraw/zinc/11/36/96/1415113696.db2.gz ADIQPVOVHVKTNH-QMMMGPOBSA-N 0 0 340.261 2.895 10 5 EFBERN O=C(NC[C@@H]1CCc2cccnc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001557234423 1415114315 /nfs/dbraw/zinc/11/43/15/1415114315.db2.gz XFYSIQJZCHMBIU-LBPRGKRZSA-N 0 0 336.351 2.931 10 5 EFBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001557277874 1415117538 /nfs/dbraw/zinc/11/75/38/1415117538.db2.gz FGVVJHJHQDISEV-INIZCTEOSA-N 0 0 338.367 2.939 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C)c1[N+](=O)[O-] ZINC001557324288 1415120449 /nfs/dbraw/zinc/12/04/49/1415120449.db2.gz OIQPCCCZAYHEGD-UHFFFAOYSA-N 0 0 340.343 2.681 10 5 EFBERN Cc1c(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC001557345915 1415121543 /nfs/dbraw/zinc/12/15/43/1415121543.db2.gz YCRZVNVMOINOLM-BDJLRTHQSA-N 0 0 332.331 2.894 10 5 EFBERN COc1cc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC001557344066 1415121773 /nfs/dbraw/zinc/12/17/73/1415121773.db2.gz GVDKCGFCPOGMBR-QLJPJBMISA-N 0 0 348.330 2.594 10 5 EFBERN Cc1ccc(C2(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)CCC2)cc1 ZINC001557353240 1415122185 /nfs/dbraw/zinc/12/21/85/1415122185.db2.gz BIFIEHHCTKSVOR-UHFFFAOYSA-N 0 0 326.356 2.690 10 5 EFBERN CN1CCc2cc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2C1=O ZINC001557393879 1415123515 /nfs/dbraw/zinc/12/35/15/1415123515.db2.gz ZSGBUKSMHLUNGK-UHFFFAOYSA-N 0 0 343.314 2.614 10 5 EFBERN C[C@H]1CCCC[C@]12CC(=O)NN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557485411 1415127794 /nfs/dbraw/zinc/12/77/94/1415127794.db2.gz FVQXMGLONMZGQS-QFYYESIMSA-N 0 0 335.335 2.560 10 5 EFBERN C[C@@H]1c2ccccc2OCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001557572130 1415132024 /nfs/dbraw/zinc/13/20/24/1415132024.db2.gz FAPOJDVNXWNUIT-LLVKDONJSA-N 0 0 327.340 2.773 10 5 EFBERN C[C@H]1c2ccccc2OCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001557573046 1415132149 /nfs/dbraw/zinc/13/21/49/1415132149.db2.gz PKBQIIFSJLIABB-JTQLQIEISA-N 0 0 345.330 2.912 10 5 EFBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2nccc2C1 ZINC001557586894 1415133057 /nfs/dbraw/zinc/13/30/57/1415133057.db2.gz QAZNKAQGTUAFHJ-UHFFFAOYSA-N 0 0 346.412 2.949 10 5 EFBERN C[C@@]1(C(F)F)CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC001557598677 1415133789 /nfs/dbraw/zinc/13/37/89/1415133789.db2.gz DKWVUHLXOVJVBA-AWEZNQCLSA-N 0 0 348.733 2.673 10 5 EFBERN CC1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC001557613402 1415134179 /nfs/dbraw/zinc/13/41/79/1415134179.db2.gz WZKNFAOAMNMLLD-UHFFFAOYSA-N 0 0 329.331 2.730 10 5 EFBERN C[C@H]1Cc2cnccc2N1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001557841566 1415147637 /nfs/dbraw/zinc/14/76/37/1415147637.db2.gz LJWPVQJYCIFXFT-QMMMGPOBSA-N 0 0 341.352 2.586 10 5 EFBERN O=C(N[C@@H](CCO)c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001557941421 1415152707 /nfs/dbraw/zinc/15/27/07/1415152707.db2.gz ITNBRECIQDUZFA-LBPRGKRZSA-N 0 0 341.726 2.569 10 5 EFBERN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001557986636 1415154071 /nfs/dbraw/zinc/15/40/71/1415154071.db2.gz JQPFBSHDPMJPFC-UHFFFAOYSA-N 0 0 333.275 2.881 10 5 EFBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cc2cnccc2o1 ZINC001558068361 1415158179 /nfs/dbraw/zinc/15/81/79/1415158179.db2.gz TUXTXUIGLGUOHF-MRVPVSSYSA-N 0 0 344.302 2.948 10 5 EFBERN COc1cccc(C(=O)CNC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC001558079765 1415158680 /nfs/dbraw/zinc/15/86/80/1415158680.db2.gz GECCCBJBBYHERS-UHFFFAOYSA-N 0 0 328.324 2.525 10 5 EFBERN O=C(NC[C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1Cl ZINC001558089389 1415159635 /nfs/dbraw/zinc/15/96/35/1415159635.db2.gz MJVBMJNSJXAYAN-SECBINFHSA-N 0 0 347.749 2.565 10 5 EFBERN Nc1c(Cl)cc(C(=O)NC[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001558103710 1415160195 /nfs/dbraw/zinc/16/01/95/1415160195.db2.gz BEUKHDKIGOXNGN-JTQLQIEISA-N 0 0 339.779 2.662 10 5 EFBERN CCc1ncoc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001558155450 1415162466 /nfs/dbraw/zinc/16/24/66/1415162466.db2.gz OXPFGPJZPQQZDU-UHFFFAOYSA-N 0 0 327.300 2.788 10 5 EFBERN O=C(Nc1ccc(O)cc1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001558156345 1415162490 /nfs/dbraw/zinc/16/24/90/1415162490.db2.gz ZXXQYYYABJZQDI-UHFFFAOYSA-N 0 0 325.280 2.807 10 5 EFBERN O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])s1 ZINC001558205225 1415166300 /nfs/dbraw/zinc/16/63/00/1415166300.db2.gz ZICOTIHFSMKCJF-NSHDSACASA-N 0 0 340.788 2.643 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001558223618 1415166623 /nfs/dbraw/zinc/16/66/23/1415166623.db2.gz QVJJDFQPVQYVOW-SNVBAGLBSA-N 0 0 334.763 2.767 10 5 EFBERN CC(C)c1cc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)[nH]n1 ZINC001558223341 1415166625 /nfs/dbraw/zinc/16/66/25/1415166625.db2.gz ZDLBGBGBYGPQMH-LLVKDONJSA-N 0 0 331.376 2.789 10 5 EFBERN O=C(NOc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001558226644 1415166752 /nfs/dbraw/zinc/16/67/52/1415166752.db2.gz PXVFFGQNAJSARZ-UHFFFAOYSA-N 0 0 342.286 2.643 10 5 EFBERN O=C(Nc1cnc2[nH]ccc2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001558286386 1415170080 /nfs/dbraw/zinc/17/00/80/1415170080.db2.gz KALJMDHMXHPDIF-UHFFFAOYSA-N 0 0 349.306 2.929 10 5 EFBERN CC(C)C(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001558293024 1415170373 /nfs/dbraw/zinc/17/03/73/1415170373.db2.gz RJMIGOBZYCLHJV-INIZCTEOSA-N 0 0 341.367 2.873 10 5 EFBERN CNc1c(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)cccc1[N+](=O)[O-] ZINC001558326144 1415172375 /nfs/dbraw/zinc/17/23/75/1415172375.db2.gz BHZZCFRSRNFUJW-SWLSCSKDSA-N 0 0 345.330 2.838 10 5 EFBERN O=C(CCOc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558336338 1415174294 /nfs/dbraw/zinc/17/42/94/1415174294.db2.gz AQBFBWWINWPXHR-UHFFFAOYSA-N 0 0 326.312 2.879 10 5 EFBERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001558373661 1415176830 /nfs/dbraw/zinc/17/68/30/1415176830.db2.gz WFMUMSCBIYEHSV-FCLUMBPUSA-N 0 0 340.383 2.802 10 5 EFBERN C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001558477461 1415182770 /nfs/dbraw/zinc/18/27/70/1415182770.db2.gz JHXKDIVVYGQQSR-SWLSCSKDSA-N 0 0 340.383 2.980 10 5 EFBERN Cc1ccc(C(=O)NCCc2c(F)cc(O)cc2F)cc1[N+](=O)[O-] ZINC001558515725 1415184371 /nfs/dbraw/zinc/18/43/71/1415184371.db2.gz IMNVPYAJUAOMSG-UHFFFAOYSA-N 0 0 336.294 2.860 10 5 EFBERN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](c2ncccn2)C1 ZINC001558524557 1415185495 /nfs/dbraw/zinc/18/54/95/1415185495.db2.gz HDHJTPGBEUKCLO-LBPRGKRZSA-N 0 0 346.774 2.597 10 5 EFBERN O=C(N[C@H](CCO)C1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001558551599 1415188402 /nfs/dbraw/zinc/18/84/02/1415188402.db2.gz QYBZDQCVSMXQAW-OAHLLOKOSA-N 0 0 331.372 2.747 10 5 EFBERN O=C(NC1(c2ncon2)CCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001558566519 1415190008 /nfs/dbraw/zinc/19/00/08/1415190008.db2.gz BRDOVIFJIQHNDX-UHFFFAOYSA-N 0 0 340.698 2.580 10 5 EFBERN O=C(NC1(c2ccccc2)COC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001558594322 1415192355 /nfs/dbraw/zinc/19/23/55/1415192355.db2.gz ZOMDZUKENUDGOG-UHFFFAOYSA-N 0 0 337.335 2.732 10 5 EFBERN COc1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c(N)c1F ZINC001558603462 1415192366 /nfs/dbraw/zinc/19/23/66/1415192366.db2.gz RLDBDLYMOUIPJC-SNVBAGLBSA-N 0 0 347.346 2.858 10 5 EFBERN Cc1ccc(NC(=O)CSC[C@@H]2CCCCO2)c(N)c1[N+](=O)[O-] ZINC001558675500 1415193803 /nfs/dbraw/zinc/19/38/03/1415193803.db2.gz ANILWVDSXLQDKM-NSHDSACASA-N 0 0 339.417 2.726 10 5 EFBERN Cc1ccc(NC(=O)c2cnc(C(F)(F)F)nc2)c(N)c1[N+](=O)[O-] ZINC001558676598 1415193920 /nfs/dbraw/zinc/19/39/20/1415193920.db2.gz HROOBRQBKKISEV-UHFFFAOYSA-N 0 0 341.249 2.547 10 5 EFBERN Cc1ccc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)c(N)c1[N+](=O)[O-] ZINC001558675519 1415194062 /nfs/dbraw/zinc/19/40/62/1415194062.db2.gz BDLUSUXULLHUDK-NSHDSACASA-N 0 0 345.330 2.814 10 5 EFBERN CCc1noc([C@H]2CC[C@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC001558669164 1415194137 /nfs/dbraw/zinc/19/41/37/1415194137.db2.gz FNKVMRBZGDORJR-ONGXEEELSA-N 0 0 348.334 2.745 10 5 EFBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCCCOc1cccc(F)c1 ZINC001558717933 1415196980 /nfs/dbraw/zinc/19/69/80/1415196980.db2.gz VVHIPPZCFUSXSN-UHFFFAOYSA-N 0 0 333.319 2.515 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001558735648 1415198158 /nfs/dbraw/zinc/19/81/58/1415198158.db2.gz SMYBNRLDSDZQLZ-GFCCVEGCSA-N 0 0 331.759 2.728 10 5 EFBERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001558748766 1415198738 /nfs/dbraw/zinc/19/87/38/1415198738.db2.gz BJLRRBBCBJWYHH-IUODEOHRSA-N 0 0 332.743 2.636 10 5 EFBERN Cc1[nH]nc(C(=O)Nc2nc3cc(C)c(F)cc3s2)c1[N+](=O)[O-] ZINC001558769621 1415200568 /nfs/dbraw/zinc/20/05/68/1415200568.db2.gz ZPAICNUNZXCNIV-UHFFFAOYSA-N 0 0 335.320 2.936 10 5 EFBERN CCc1n[nH]c(=O)c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1CC ZINC001558807612 1415203227 /nfs/dbraw/zinc/20/32/27/1415203227.db2.gz LOMGPLMZDOWRPP-UHFFFAOYSA-N 0 0 330.344 2.776 10 5 EFBERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2occc(=O)c2c1 ZINC001558851681 1415206310 /nfs/dbraw/zinc/20/63/10/1415206310.db2.gz IWGBWPMPECOTIY-UHFFFAOYSA-N 0 0 325.280 2.536 10 5 EFBERN CC(C)c1[nH]nc(C(=O)Nc2nc3c(s2)CCCC3=O)c1[N+](=O)[O-] ZINC001558862294 1415206773 /nfs/dbraw/zinc/20/67/73/1415206773.db2.gz WLAHYYZVBAFLPT-UHFFFAOYSA-N 0 0 349.372 2.669 10 5 EFBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1cc(F)ccc1N(C)C ZINC001558862107 1415207032 /nfs/dbraw/zinc/20/70/32/1415207032.db2.gz REWKRDJQGTWGHF-SNVBAGLBSA-N 0 0 346.362 2.873 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cncc(F)c1Cl ZINC001558957485 1415213744 /nfs/dbraw/zinc/21/37/44/1415213744.db2.gz HUHXDUPYGFFMGO-UHFFFAOYSA-N 0 0 339.710 2.721 10 5 EFBERN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ncc[nH]1 ZINC001558986776 1415216214 /nfs/dbraw/zinc/21/62/14/1415216214.db2.gz WGJJKGZKFQABIG-ZDUSSCGKSA-N 0 0 346.390 2.755 10 5 EFBERN CC[C@@H](C)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 ZINC001559026488 1415218755 /nfs/dbraw/zinc/21/87/55/1415218755.db2.gz MRGPMHMROHRMDB-SECBINFHSA-N 0 0 332.316 2.520 10 5 EFBERN CN(CCCOc1ccccc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559054986 1415221756 /nfs/dbraw/zinc/22/17/56/1415221756.db2.gz RVXFISMECFBHIF-UHFFFAOYSA-N 0 0 329.356 2.599 10 5 EFBERN Cn1cc([N+](=O)[O-])c(Oc2ccc(C=O)cc2Br)n1 ZINC001559048661 1415221769 /nfs/dbraw/zinc/22/17/69/1415221769.db2.gz SGZIHORLKUQPBC-UHFFFAOYSA-N 0 0 326.106 2.696 10 5 EFBERN Cn1cc([N+](=O)[O-])c(NCCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC001559075002 1415223020 /nfs/dbraw/zinc/22/30/20/1415223020.db2.gz AIGAWAYNAGBEDE-UHFFFAOYSA-N 0 0 337.767 2.813 10 5 EFBERN CN(CCc1ccc(Br)cc1)c1nn(C)cc1[N+](=O)[O-] ZINC001559101232 1415224321 /nfs/dbraw/zinc/22/43/21/1415224321.db2.gz YKZFBUBNTOEGLL-UHFFFAOYSA-N 0 0 339.193 2.770 10 5 EFBERN Cc1ncsc1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559100749 1415224362 /nfs/dbraw/zinc/22/43/62/1415224362.db2.gz YQIBIZKBKBXECW-UHFFFAOYSA-N 0 0 330.369 2.824 10 5 EFBERN CO[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(F)cc1 ZINC001559116629 1415225066 /nfs/dbraw/zinc/22/50/66/1415225066.db2.gz DYRKGHFWCIJOMM-OAHLLOKOSA-N 0 0 333.319 2.632 10 5 EFBERN O=C(CCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])NC1CC1 ZINC001559123410 1415225283 /nfs/dbraw/zinc/22/52/83/1415225283.db2.gz AZGZXVJGHDUQTP-UHFFFAOYSA-N 0 0 348.790 2.689 10 5 EFBERN CCCC[C@H](CCC)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001559126365 1415226041 /nfs/dbraw/zinc/22/60/41/1415226041.db2.gz FIMDTWCPKGOQCS-ZDUSSCGKSA-N 0 0 337.424 2.992 10 5 EFBERN CC(C)COC1CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001559140789 1415226348 /nfs/dbraw/zinc/22/63/48/1415226348.db2.gz XMIGHDFMMUFTMH-UHFFFAOYSA-N 0 0 330.182 2.614 10 5 EFBERN Cc1nc(NC2CN(C(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001559209630 1415229981 /nfs/dbraw/zinc/22/99/81/1415229981.db2.gz IGISWCLSDYPEEI-UHFFFAOYSA-N 0 0 342.355 2.731 10 5 EFBERN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2cccnc2)c2ncccc12 ZINC001559207189 1415230158 /nfs/dbraw/zinc/23/01/58/1415230158.db2.gz DFCQWZCFBBLSQU-CQSZACIVSA-N 0 0 338.367 2.801 10 5 EFBERN COc1ccc2ncc([N+](=O)[O-])c(NCc3cnc(Cl)cn3)c2c1 ZINC001559207354 1415230213 /nfs/dbraw/zinc/23/02/13/1415230213.db2.gz LMYQXBWQPOOLDZ-UHFFFAOYSA-N 0 0 345.746 2.629 10 5 EFBERN C[C@@H]1C[C@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CS1 ZINC001559212532 1415230231 /nfs/dbraw/zinc/23/02/31/1415230231.db2.gz NLWZZBMFPIPVQH-BDAKNGLRSA-N 0 0 334.357 2.779 10 5 EFBERN CCOC(=O)c1ccnc(N2CCC(c3ncco3)CC2)c1[N+](=O)[O-] ZINC001559219331 1415230740 /nfs/dbraw/zinc/23/07/40/1415230740.db2.gz KLNQMVXGIOMNJY-UHFFFAOYSA-N 0 0 346.343 2.539 10 5 EFBERN CC[C@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C(=O)OC ZINC001559222091 1415231062 /nfs/dbraw/zinc/23/10/62/1415231062.db2.gz JHTKLCNLZHDRNZ-SECBINFHSA-N 0 0 337.763 2.829 10 5 EFBERN O=[N+]([O-])c1cnc(N2CCC(Cc3nc4ccccc4[nH]3)CC2)nc1 ZINC001559225463 1415231698 /nfs/dbraw/zinc/23/16/98/1415231698.db2.gz QIWSQMDGCPNMDX-UHFFFAOYSA-N 0 0 338.371 2.720 10 5 EFBERN O=c1cc([C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)[nH][nH]1 ZINC001559227504 1415231856 /nfs/dbraw/zinc/23/18/56/1415231856.db2.gz RWOHQSJRXFTJLF-NSHDSACASA-N 0 0 325.328 2.566 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@@H](O)C12CCC2 ZINC001559237394 1415232569 /nfs/dbraw/zinc/23/25/69/1415232569.db2.gz NLLXCXXUBMTBNF-NWDGAFQWSA-N 0 0 340.763 2.750 10 5 EFBERN CC(C)(C)c1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(=O)[nH]1 ZINC001559256360 1415233942 /nfs/dbraw/zinc/23/39/42/1415233942.db2.gz DNVXQOFTDRCYKW-UHFFFAOYSA-N 0 0 344.371 2.704 10 5 EFBERN NC(=O)c1cc([N+](=O)[O-])cnc1SCc1cccc2cccnc21 ZINC001559257917 1415234017 /nfs/dbraw/zinc/23/40/17/1415234017.db2.gz KKFGZQVVWOOTGB-UHFFFAOYSA-N 0 0 340.364 2.929 10 5 EFBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1nnc2ccc(Cl)cn21 ZINC001559267193 1415234573 /nfs/dbraw/zinc/23/45/73/1415234573.db2.gz WYBQRHPSJLJGIS-UHFFFAOYSA-N 0 0 348.706 2.811 10 5 EFBERN COc1ccc(OC)c([C@H](O)[C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC001559273718 1415235680 /nfs/dbraw/zinc/23/56/80/1415235680.db2.gz BENBPMGCVNASAF-APPDUMDISA-N 0 0 347.371 2.849 10 5 EFBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nc3c(s2)CCC3)c1 ZINC001559275610 1415235903 /nfs/dbraw/zinc/23/59/03/1415235903.db2.gz MKEYHXXBPNIIAF-UHFFFAOYSA-N 0 0 347.396 2.981 10 5 EFBERN CCc1c[nH]c(CNc2ccc(C=CC(=O)OC)cc2[N+](=O)[O-])n1 ZINC001559278990 1415236488 /nfs/dbraw/zinc/23/64/88/1415236488.db2.gz ZOJMEGUGKGEYQL-FNORWQNLSA-N 0 0 330.344 2.679 10 5 EFBERN CO[C@]1(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCSC1 ZINC001559284684 1415236651 /nfs/dbraw/zinc/23/66/51/1415236651.db2.gz NBNFNIPYBYPMCB-HNNXBMFYSA-N 0 0 337.376 2.638 10 5 EFBERN CC(C)c1ncc(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[nH]1 ZINC001559289051 1415237554 /nfs/dbraw/zinc/23/75/54/1415237554.db2.gz DTVCXEMUNYDSFS-UHFFFAOYSA-N 0 0 341.371 2.905 10 5 EFBERN CCc1nn(C)c(NCc2ccc(-n3cccn3)cc2C)c1[N+](=O)[O-] ZINC001559295849 1415237814 /nfs/dbraw/zinc/23/78/14/1415237814.db2.gz PZYUTKBKECRWEN-UHFFFAOYSA-N 0 0 340.387 2.997 10 5 EFBERN CCc1noc([C@@H]2CC[C@@H](Nc3c([N+](=O)[O-])nc(C)n3CC)C2)n1 ZINC001559294878 1415237891 /nfs/dbraw/zinc/23/78/91/1415237891.db2.gz DMPGILDCQBDICX-GHMZBOCLSA-N 0 0 334.380 2.813 10 5 EFBERN CNC(=O)c1ccc(NCc2nc(C(C)(C)C)co2)c([N+](=O)[O-])c1 ZINC001559299858 1415238028 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Cc1ccc2nc(SCc3cccnc3[N+](=O)[O-])n(C)c(=O)c2c1 ZINC001559360433 1415240931 /nfs/dbraw/zinc/24/09/31/1415240931.db2.gz QGKUGGAHQRTVKH-UHFFFAOYSA-N 0 0 342.380 2.837 10 5 EFBERN NS(=O)(=O)c1ccc(OCC/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC001559356336 1415240947 /nfs/dbraw/zinc/24/09/47/1415240947.db2.gz HDSXCJADXCTRPH-YWEYNIOJSA-N 0 0 348.380 2.725 10 5 EFBERN Nc1nc(SCCOc2ccc(F)cc2Cl)ncc1[N+](=O)[O-] ZINC001559415569 1415243937 /nfs/dbraw/zinc/24/39/37/1415243937.db2.gz YWDICZXEVNIYEP-UHFFFAOYSA-N 0 0 344.755 2.931 10 5 EFBERN O=c1c2cc([N+](=O)[O-])sc2ncn1CCOc1cccc(F)c1 ZINC001559410790 1415244029 /nfs/dbraw/zinc/24/40/29/1415244029.db2.gz XPILRZMEXJXBQY-UHFFFAOYSA-N 0 0 335.316 2.584 10 5 EFBERN Cc1ccccc1CNC(=O)COc1cc([N+](=O)[O-])c(F)cc1F ZINC001559423742 1415244716 /nfs/dbraw/zinc/24/47/16/1415244716.db2.gz GMIXCRCJFODAPE-UHFFFAOYSA-N 0 0 336.294 2.877 10 5 EFBERN Cc1csc2ncn(CC(=O)c3ccc([N+](=O)[O-])cc3F)c(=O)c12 ZINC001559421773 1415244757 /nfs/dbraw/zinc/24/47/57/1415244757.db2.gz XWAANQMKGAGECO-UHFFFAOYSA-N 0 0 347.327 2.697 10 5 EFBERN O=[N+]([O-])c1cc(OCc2cn(-c3ccccc3)nn2)cc([N+](=O)[O-])c1 ZINC001559438180 1415245776 /nfs/dbraw/zinc/24/57/76/1415245776.db2.gz SGXFHWWZDVQHPU-UHFFFAOYSA-N 0 0 341.283 2.663 10 5 EFBERN O=[N+]([O-])c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)c(Br)n1 ZINC001559441344 1415246070 /nfs/dbraw/zinc/24/60/70/1415246070.db2.gz IUCVKPJCUCWDMR-UHFFFAOYSA-N 0 0 345.084 2.649 10 5 EFBERN COC(=O)c1nn(Cc2cc(Cl)sc2Cl)cc1[N+](=O)[O-] ZINC001559458225 1415247073 /nfs/dbraw/zinc/24/70/73/1415247073.db2.gz YBQHOSKVFJMFSN-UHFFFAOYSA-N 0 0 336.156 2.995 10 5 EFBERN Cc1ccc(C(=O)COc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC001559475967 1415248469 /nfs/dbraw/zinc/24/84/69/1415248469.db2.gz ZAMCCJIZEHEWKP-UHFFFAOYSA-N 0 0 329.308 2.936 10 5 EFBERN CCOCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001559484800 1415249060 /nfs/dbraw/zinc/24/90/60/1415249060.db2.gz JUVCNLRZQLLADO-UHFFFAOYSA-N 0 0 326.368 2.751 10 5 EFBERN CCOC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001559612992 1415252005 /nfs/dbraw/zinc/25/20/05/1415252005.db2.gz TYYBBRPLMNKOOM-UHFFFAOYSA-N 0 0 336.388 2.829 10 5 EFBERN CCOC(=O)[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001559684799 1415252485 /nfs/dbraw/zinc/25/24/85/1415252485.db2.gz MFESTPBKGHLGKI-INIZCTEOSA-N 0 0 348.330 2.834 10 5 EFBERN CCOC(=O)[C@H](CC)N(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001559765939 1415254527 /nfs/dbraw/zinc/25/45/27/1415254527.db2.gz SROIDIAYZQSQIE-INIZCTEOSA-N 0 0 336.388 2.780 10 5 EFBERN C[C@@](CO)(NCc1ccc([N+](=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001560066271 1415262362 /nfs/dbraw/zinc/26/23/62/1415262362.db2.gz OOFQMGRCMJVSKC-INIZCTEOSA-N 0 0 349.318 2.639 10 5 EFBERN Cc1[nH]nc2c1CCCN2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001560208616 1415267208 /nfs/dbraw/zinc/26/72/08/1415267208.db2.gz CXBWKCSCOFPADR-UHFFFAOYSA-N 0 0 340.343 2.629 10 5 EFBERN COCC[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])c2ccccc21 ZINC001560223976 1415268142 /nfs/dbraw/zinc/26/81/42/1415268142.db2.gz MGIRNXQDENRLAG-CYBMUJFWSA-N 0 0 330.388 2.859 10 5 EFBERN Cc1cccnc1[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001560221488 1415268363 /nfs/dbraw/zinc/26/83/63/1415268363.db2.gz XFVMPHCFVRWVAK-QWHCGFSZSA-N 0 0 328.372 2.976 10 5 EFBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H](C(C)(C)C)CC1 ZINC001560235850 1415269141 /nfs/dbraw/zinc/26/91/41/1415269141.db2.gz XLAYROQWSPRCOK-MRXNPFEDSA-N 0 0 349.431 2.979 10 5 EFBERN CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001561644937 1415320831 /nfs/dbraw/zinc/32/08/31/1415320831.db2.gz DBCKIXLHQZHFBR-UHFFFAOYSA-N 0 0 346.364 2.502 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC001564424058 1415377073 /nfs/dbraw/zinc/37/70/73/1415377073.db2.gz FMCSHKFFQBTATL-SUMWQHHRSA-N 0 0 333.388 2.983 10 5 EFBERN Cc1ccc(CNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC001564754906 1415382045 /nfs/dbraw/zinc/38/20/45/1415382045.db2.gz RBJNEBONOPJBEO-YPMHNXCESA-N 0 0 329.360 2.605 10 5 EFBERN COc1ccc(CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC001565172286 1415390963 /nfs/dbraw/zinc/39/09/63/1415390963.db2.gz UZCUCXZRGDLLKP-GFCCVEGCSA-N 0 0 344.371 2.601 10 5 EFBERN Cc1ccc(CNC(=O)NCc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC001565214648 1415391812 /nfs/dbraw/zinc/39/18/12/1415391812.db2.gz ZVCJCYVAJOZHJL-UHFFFAOYSA-N 0 0 330.344 2.768 10 5 EFBERN CNc1cc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccn1 ZINC001565297554 1415393159 /nfs/dbraw/zinc/39/31/59/1415393159.db2.gz CQYKUGISOPUJAV-LLVKDONJSA-N 0 0 329.360 2.592 10 5 EFBERN O=C(Cc1ccsc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001565500002 1415398983 /nfs/dbraw/zinc/39/89/83/1415398983.db2.gz VNAGDEHMHJDKIT-UHFFFAOYSA-N 0 0 345.424 2.543 10 5 EFBERN CCc1occc1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001565501577 1415399878 /nfs/dbraw/zinc/39/98/78/1415399878.db2.gz CLILCMCQMDXDCF-UHFFFAOYSA-N 0 0 343.383 2.708 10 5 EFBERN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)c2cnoc2C(C)C)c1 ZINC001565598977 1415406138 /nfs/dbraw/zinc/40/61/38/1415406138.db2.gz ANSYJIKUISBCDJ-UHFFFAOYSA-N 0 0 346.387 2.881 10 5 EFBERN Cc1nc(N(C)CCNC(=O)C2(C)C(C)(C)C2(C)C)ccc1[N+](=O)[O-] ZINC001565598495 1415406368 /nfs/dbraw/zinc/40/63/68/1415406368.db2.gz KKAWFUJENPZFHW-UHFFFAOYSA-N 0 0 348.447 2.923 10 5 EFBERN CC(C)(Cc1ccccc1Cl)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001565602730 1415406798 /nfs/dbraw/zinc/40/67/98/1415406798.db2.gz MVZQHQILIJCMLO-UHFFFAOYSA-N 0 0 348.790 2.977 10 5 EFBERN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccncc1C ZINC001565634465 1415408187 /nfs/dbraw/zinc/40/81/87/1415408187.db2.gz VCMYPSPLCBIEGU-UHFFFAOYSA-N 0 0 348.746 2.584 10 5 EFBERN Cc1cccc2nc(CNC(=O)c3c(C)c(F)ccc3[N+](=O)[O-])cn21 ZINC001565734840 1415413052 /nfs/dbraw/zinc/41/30/52/1415413052.db2.gz RSRGFURXYVJUFU-UHFFFAOYSA-N 0 0 342.330 2.928 10 5 EFBERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cnn(CC(F)F)c1 ZINC001565767268 1415414565 /nfs/dbraw/zinc/41/45/65/1415414565.db2.gz ATEYKWICSITMOA-UHFFFAOYSA-N 0 0 328.250 2.756 10 5 EFBERN Cc1ccc(NCCCNC(=O)c2ccc(F)c(O)c2)c([N+](=O)[O-])c1 ZINC001565827575 1415422733 /nfs/dbraw/zinc/42/27/33/1415422733.db2.gz HUHQRPDLKAKWJP-UHFFFAOYSA-N 0 0 347.346 2.980 10 5 EFBERN Nc1c(Cl)cc(C(=O)NCCNc2ccccc2)cc1[N+](=O)[O-] ZINC001565983385 1415470364 /nfs/dbraw/zinc/47/03/64/1415470364.db2.gz FSHBCZKHISDFRK-UHFFFAOYSA-N 0 0 334.763 2.672 10 5 EFBERN CO[C@@]1(C)C[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001566010360 1415481904 /nfs/dbraw/zinc/48/19/04/1415481904.db2.gz HWRKHRDYPIJAKM-YOEHRIQHSA-N 0 0 335.404 2.669 10 5 EFBERN O=C(CSc1ccc(O)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001566169588 1415532985 /nfs/dbraw/zinc/53/29/85/1415532985.db2.gz VOTYQVXSMQSNHJ-UHFFFAOYSA-N 0 0 330.365 2.935 10 5 EFBERN Cc1cncc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001566190934 1415534524 /nfs/dbraw/zinc/53/45/24/1415534524.db2.gz KWXMXTUBDFDGBA-UHFFFAOYSA-N 0 0 338.323 2.864 10 5 EFBERN Cn1nc(C2CCCCC2)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566267077 1415537487 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EFBERN Nc1c(C(=O)N2CC3(CCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC001566351171 1415542343 /nfs/dbraw/zinc/54/23/43/1415542343.db2.gz FZCIAUGOSTUJPO-UHFFFAOYSA-N 0 0 340.177 2.566 10 5 EFBERN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1CO ZINC001566372727 1415543322 /nfs/dbraw/zinc/54/33/22/1415543322.db2.gz HKQUIFZELMKNTM-HZPDHXFCSA-N 0 0 342.351 2.838 10 5 EFBERN CC(C)[C@H](CCO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001566376761 1415544068 /nfs/dbraw/zinc/54/40/68/1415544068.db2.gz YGDIHPNZJHQZLF-HNNXBMFYSA-N 0 0 343.383 2.794 10 5 EFBERN CCOC(=O)CC[C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001566472950 1415569215 /nfs/dbraw/zinc/56/92/15/1415569215.db2.gz VVZTVFSIOKXSER-SNVBAGLBSA-N 0 0 342.779 2.639 10 5 EFBERN Cc1cscc1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001566547735 1415631899 /nfs/dbraw/zinc/63/18/99/1415631899.db2.gz DEASJUZHIBWOIB-UHFFFAOYSA-N 0 0 334.357 2.725 10 5 EFBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC001566680649 1415728198 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EFBERN Cc1nc(CN(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC001567057297 1415918174 /nfs/dbraw/zinc/91/81/74/1415918174.db2.gz KFSWRLIIPZUBGE-UHFFFAOYSA-N 0 0 338.751 2.531 10 5 EFBERN O=C(NCCc1cccc([N+](=O)[O-])c1)c1oc2ccccc2c1CO ZINC001567175316 1415970436 /nfs/dbraw/zinc/97/04/36/1415970436.db2.gz XHGHUIIKNRJIIK-UHFFFAOYSA-N 0 0 340.335 2.806 10 5 EFBERN Nc1c(C(=O)N2CCc3ccncc32)cc2ccccc2c1[N+](=O)[O-] ZINC001567187727 1415979356 /nfs/dbraw/zinc/97/93/56/1415979356.db2.gz PJJWLAWDQMQFKL-UHFFFAOYSA-N 0 0 334.335 2.928 10 5 EFBERN CCc1occc1C(=O)NCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001567278990 1416053510 /nfs/dbraw/zinc/05/35/10/1416053510.db2.gz GNOAEIAQGUORGA-UHFFFAOYSA-N 0 0 337.401 2.674 10 5 EFBERN CCN(CCNC(=O)c1ccc(C)nc1)Cc1csc([N+](=O)[O-])c1 ZINC001567326482 1416074037 /nfs/dbraw/zinc/07/40/37/1416074037.db2.gz KXLTZSJDICVOKQ-UHFFFAOYSA-N 0 0 348.428 2.612 10 5 EFBERN CSc1ccc([N+](=O)[O-])cc1C(=O)NN1Cc2ccccc2C1=O ZINC001567475490 1416152140 /nfs/dbraw/zinc/15/21/40/1416152140.db2.gz OEPWXMSPUDDLGX-UHFFFAOYSA-N 0 0 343.364 2.618 10 5 EFBERN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnccc1-c1ccccc1 ZINC001567554669 1416185421 /nfs/dbraw/zinc/18/54/21/1416185421.db2.gz HRKDSFAHZKERPD-UHFFFAOYSA-N 0 0 335.323 2.886 10 5 EFBERN C=C/C(C)=C\CC(=O)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001567838056 1416294428 /nfs/dbraw/zinc/29/44/28/1416294428.db2.gz SNEJAUBXIUVFFU-AUWJEWJLSA-N 0 0 329.400 2.665 10 5 EFBERN O=C(N[C@@H](CCO)c1ccco1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001567907167 1416318129 /nfs/dbraw/zinc/31/81/29/1416318129.db2.gz SDKNFYLYOICAKS-JTQLQIEISA-N 0 0 342.710 2.834 10 5 EFBERN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001568333187 1416479954 /nfs/dbraw/zinc/47/99/54/1416479954.db2.gz FNXUKLYHYDKDMH-MGCOHNPYSA-N 0 0 334.763 2.956 10 5 EFBERN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001568372500 1416497144 /nfs/dbraw/zinc/49/71/44/1416497144.db2.gz CEZWPXLXHFAHED-OFIKQIQMSA-N 0 0 347.415 2.579 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1Cn1ccnc1[C@@H](O)c1cccs1 ZINC001643993614 1416547442 /nfs/dbraw/zinc/54/74/42/1416547442.db2.gz UCNIEAVBMDUSSO-HNNXBMFYSA-N 0 0 345.380 2.991 10 5 EFBERN COc1ccc([N+](=O)[O-])cc1Cn1ccnc1[C@H](O)c1cccs1 ZINC001643993615 1416547502 /nfs/dbraw/zinc/54/75/02/1416547502.db2.gz UCNIEAVBMDUSSO-OAHLLOKOSA-N 0 0 345.380 2.991 10 5 EFBERN C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC001645846147 1416571850 /nfs/dbraw/zinc/57/18/50/1416571850.db2.gz ZITXFNRMZRSLQW-INIZCTEOSA-N 0 0 336.294 2.511 10 5 EFBERN O=C(Nc1ccc(-n2nnc3ccccc32)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001646163421 1416623472 /nfs/dbraw/zinc/62/34/72/1416623472.db2.gz DWOCATFAZMYAHZ-UHFFFAOYSA-N 0 0 348.322 2.909 10 5 EFBERN CCOC(=O)[C@@](C)(CNC(=O)c1ccc([N+](=O)[O-])o1)CC(C)C ZINC001646221378 1416635416 /nfs/dbraw/zinc/63/54/16/1416635416.db2.gz AFOXLRTVYKRIEM-OAHLLOKOSA-N 0 0 326.349 2.533 10 5 EFBERN Cc1ccc(NCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC001646256020 1416639116 /nfs/dbraw/zinc/63/91/16/1416639116.db2.gz PRIHHELEMXZXMW-UHFFFAOYSA-N 0 0 334.763 2.794 10 5 EFBERN Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cnn1C(C)(C)C ZINC001646255255 1416639236 /nfs/dbraw/zinc/63/92/36/1416639236.db2.gz LSHDVRZJZLCFPY-UHFFFAOYSA-N 0 0 331.376 2.998 10 5 EFBERN Cc1ccc(NC(=O)[C@H](C)Sc2ccccn2)c(N)c1[N+](=O)[O-] ZINC001646258684 1416639499 /nfs/dbraw/zinc/63/94/99/1416639499.db2.gz GHWPSEBHXQBKMG-JTQLQIEISA-N 0 0 332.385 3.000 10 5 EFBERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCNc1ccc(C)cn1 ZINC001646261492 1416639576 /nfs/dbraw/zinc/63/95/76/1416639576.db2.gz YKLFDYCLAANANN-UHFFFAOYSA-N 0 0 344.371 2.539 10 5 EFBERN Cc1ccc(NC(=O)/C=C\c2ccc(C=O)cc2)c(N)c1[N+](=O)[O-] ZINC001646258729 1416639721 /nfs/dbraw/zinc/63/97/21/1416639721.db2.gz IKUIOCWWFGGSFB-CLFYSBASSA-N 0 0 325.324 2.950 10 5 EFBERN Cc1ccc(NC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)c(N)c1[N+](=O)[O-] ZINC001646259831 1416639732 /nfs/dbraw/zinc/63/97/32/1416639732.db2.gz RVPPWILBYWYEMJ-AMIZOPFISA-N 0 0 329.360 2.513 10 5 EFBERN Cc1ccc(NC(=O)c2cnc3cccc(C)n32)c(N)c1[N+](=O)[O-] ZINC001646259026 1416639736 /nfs/dbraw/zinc/63/97/36/1416639736.db2.gz JEJRWSIQXLATRH-UHFFFAOYSA-N 0 0 325.328 2.694 10 5 EFBERN CC1(C)C[C@]1(C)CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001683772930 1416684128 /nfs/dbraw/zinc/68/41/28/1416684128.db2.gz LLMSRRDZXGJMJL-GOSISDBHSA-N 0 0 346.431 2.863 10 5 EFBERN Cc1nccnc1[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001683836225 1416686239 /nfs/dbraw/zinc/68/62/39/1416686239.db2.gz CYTZINQESARDHX-PWSUYJOCSA-N 0 0 329.360 2.815 10 5 EFBERN CCOC(OCC)[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001683830452 1416686253 /nfs/dbraw/zinc/68/62/53/1416686253.db2.gz CWGCDIHLOJQSBG-RYUDHWBXSA-N 0 0 339.392 2.743 10 5 EFBERN COc1ccnc(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1F ZINC001683987277 1416690852 /nfs/dbraw/zinc/69/08/52/1416690852.db2.gz YJTJNVAUUZOYJQ-SNVBAGLBSA-N 0 0 348.334 2.698 10 5 EFBERN C[C@H](NC(=O)N[C@@H](CO)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001684062342 1416693783 /nfs/dbraw/zinc/69/37/83/1416693783.db2.gz DSUMORRFRWBICL-ZBEGNZNMSA-N 0 0 347.346 2.828 10 5 EFBERN Cc1noc(C(C)(C)NC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001684398195 1416720795 /nfs/dbraw/zinc/72/07/95/1416720795.db2.gz ZSBGJOSLTLZDAN-JTQLQIEISA-N 0 0 347.375 2.624 10 5 EFBERN Cc1ccc(CNC(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC001684706211 1416728669 /nfs/dbraw/zinc/72/86/69/1416728669.db2.gz GVWHTKQBZFMZDM-SUMWQHHRSA-N 0 0 343.383 2.825 10 5 EFBERN C[C@@H](NC(=O)NCC1(C2(O)CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001684977460 1416738642 /nfs/dbraw/zinc/73/86/42/1416738642.db2.gz RSSBJICYSSSMJU-GFCCVEGCSA-N 0 0 333.388 2.650 10 5 EFBERN C[C@H](NC(=O)NC1(c2ncccn2)CCC1)c1ccccc1[N+](=O)[O-] ZINC001684973697 1416738937 /nfs/dbraw/zinc/73/89/37/1416738937.db2.gz DBRMFCSCIGTFDZ-LBPRGKRZSA-N 0 0 341.371 2.824 10 5 EFBERN Cc1nccnc1[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001685084143 1416742826 /nfs/dbraw/zinc/74/28/26/1416742826.db2.gz JGPBJPMGSLVFMI-CYBMUJFWSA-N 0 0 343.387 2.638 10 5 EFBERN CCOC(=O)C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001685148605 1416750873 /nfs/dbraw/zinc/75/08/73/1416750873.db2.gz IFCSMRIUXGFDAM-IUODEOHRSA-N 0 0 349.387 2.783 10 5 EFBERN C[C@@H](NC(=O)N[C@H](CO)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001685148375 1416751273 /nfs/dbraw/zinc/75/12/73/1416751273.db2.gz DSUMORRFRWBICL-BDJLRTHQSA-N 0 0 347.346 2.828 10 5 EFBERN C[C@@H](NC(=O)N[C@@H]1CC(C)(C)CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC001685152694 1416752227 /nfs/dbraw/zinc/75/22/27/1416752227.db2.gz GKUQNNYJWJWCDS-KCPJHIHWSA-N 0 0 335.404 2.895 10 5 EFBERN Cc1noc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001685239323 1416754729 /nfs/dbraw/zinc/75/47/29/1416754729.db2.gz BGXPISJPYFCPBD-YGRLFVJLSA-N 0 0 345.359 2.894 10 5 EFBERN Cc1ccc([C@H](O)CNC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001685447240 1416764044 /nfs/dbraw/zinc/76/40/44/1416764044.db2.gz GEQSVKFBSOQWKP-IAQYHMDHSA-N 0 0 347.371 2.633 10 5 EFBERN Cc1noc([C@H](C)N(C)C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001685447129 1416764063 /nfs/dbraw/zinc/76/40/63/1416764063.db2.gz DAOPESSWCIKWEI-QWRGUYRKSA-N 0 0 347.375 2.792 10 5 EFBERN Cc1noc([C@@H](C)N(C)C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001685447127 1416764081 /nfs/dbraw/zinc/76/40/81/1416764081.db2.gz DAOPESSWCIKWEI-GHMZBOCLSA-N 0 0 347.375 2.792 10 5 EFBERN Cc1ccc([C@@H](O)CNC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001685447239 1416764218 /nfs/dbraw/zinc/76/42/18/1416764218.db2.gz GEQSVKFBSOQWKP-ABAIWWIYSA-N 0 0 347.371 2.633 10 5 EFBERN C[C@H](CNC(=O)N[C@H](CCO)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC001685527210 1416766553 /nfs/dbraw/zinc/76/65/53/1416766553.db2.gz FRJKCHAYIYJOCL-TZMCWYRMSA-N 0 0 347.371 2.714 10 5 EFBERN CCCc1nc(C)c(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001690127639 1417160151 /nfs/dbraw/zinc/16/01/51/1417160151.db2.gz VQOSXOFYPOMTJS-UHFFFAOYSA-N 0 0 346.387 2.710 10 5 EFBERN CCOC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001710387863 1418248618 /nfs/dbraw/zinc/24/86/18/1418248618.db2.gz VJRRMNQEYKIMEK-UHFFFAOYSA-N 0 0 349.391 2.666 10 5 EFBERN COC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001711485028 1418261896 /nfs/dbraw/zinc/26/18/96/1418261896.db2.gz VFJOQWWFNHDTSN-UHFFFAOYSA-N 0 0 345.403 2.879 10 5 EFBERN CN(CCN(C)C(=O)C1CC(C)(C)C1)Cc1csc([N+](=O)[O-])c1 ZINC001715813207 1418684410 /nfs/dbraw/zinc/68/44/10/1418684410.db2.gz COXDXTAQTFAFPC-UHFFFAOYSA-N 0 0 339.461 2.983 10 5 EFBERN CCC1(C(=O)N(C)C2CN(Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001716746344 1418989095 /nfs/dbraw/zinc/98/90/95/1418989095.db2.gz LEGAQXARENPEEZ-UHFFFAOYSA-N 0 0 331.416 2.818 10 5 EFBERN CC(=O)N(CC[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001717004616 1419140280 /nfs/dbraw/zinc/14/02/80/1419140280.db2.gz SMRCEDKVENVFJU-UHFFFAOYSA-N 0 0 333.413 2.795 10 5 EFBERN COC(=O)[C@@H](C)Oc1c(C(C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000165125455 1419633881 /nfs/dbraw/zinc/63/38/81/1419633881.db2.gz NNUVTGWDUMJJJQ-SSDOTTSWSA-N 0 0 346.133 2.500 10 5 EFBERN CO[C@H](C)COc1c(C(C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000165138010 1419634162 /nfs/dbraw/zinc/63/41/62/1419634162.db2.gz SUCVQBFSSMKDOK-SSDOTTSWSA-N 0 0 332.150 2.974 10 5 EFBERN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)COC ZINC001728090843 1426311964 /nfs/dbraw/zinc/31/19/64/1426311964.db2.gz VKUIGUMCVKLPCM-CYBMUJFWSA-N 0 0 347.419 2.982 10 5 EFBERN Cc1n[nH]c2cc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc12 ZINC000120302205 713054324 /nfs/dbraw/zinc/05/43/24/713054324.db2.gz DCUSCSWMIAXSRE-UHFFFAOYSA-N 0 0 338.370 2.642 10 5 EFBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1SCCSCCO ZINC000804667170 713291021 /nfs/dbraw/zinc/29/10/21/713291021.db2.gz CKGWXIWETHSQQL-UHFFFAOYSA-N 0 0 331.415 2.507 10 5 EFBERN O=C1CCN1c1ccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000804684379 713413815 /nfs/dbraw/zinc/41/38/15/713413815.db2.gz XJMWVBWOKVFTDF-UHFFFAOYSA-N 0 0 328.284 2.983 10 5 EFBERN O=[N+]([O-])c1ccc(Br)c2c1CN(c1cccnn1)CC2 ZINC000804703589 713434941 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